| 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 | 39.7 | Very low | 40.7 | Very low | 233 Ų | 233 | 134.9 Ų | 134.9 | 100% | 1.148 | 77% | 0.77 | S | S | * | * | 0 | 94.1 | 0 | -55.6 | 172.7 | 94.1 | 0 | 0 | 105 | |||||
| 2 | S | 38.6 | Very low | 40.1 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | 79.7 | 123.6 | 66.5 | -66 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 3 | N | 41.1 | Very low | 39.7 | Very low | 120 Ų | 120 | 135.9 Ų | 135.9 | 64% | 0.642 | 77% | 0.767 | S | S | * | * | cis | -153.7 | 159.2 | 8.7 | -106.7 | 26.4 | 0 | 0 | 0 | 111.1 | ||||
| 4 | D | 46.5 | Very low | 38.7 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | trans | 49.6 | 153.8 | 133.3 | -56 | -18.7 | 0 | 0 | 0 | 122.4 | ||||
| 5 | N | 42.3 | Very low | 38.3 | Very low | 116 Ų | 116 | 135.5 Ų | 135.5 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | cis | -154.9 | 138.8 | -8.1 | -112.8 | -42.4 | 0 | 0 | 0 | 105.6 | ||||
| 6 | R | 40.6 | Very low | 38.2 | Very low | 226 Ų | 226 | 131.9 Ų | 131.9 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | 60.6 | 130.9 | 80.7 | -166.2 | -171.8 | -172.2 | -177.6 | 3.5 | 113.9 | |||||
| 7 | A | 42.8 | Very low | 37.7 | Very low | 95 Ų | 95 | 133.2 Ų | 133.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | cis | -166.9 | 164.8 | -17.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 8 | G | 44.5 | Very low | 37.6 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | trans | -170.5 | 104.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 9 | M | 37 | Very low | 37.5 | Very low | 154 Ų | 154 | 137.1 Ų | 137.1 | 76% | 0.759 | 78% | 0.776 | S | S | * | * | trans | -103 | 144 | -174.2 | -67.1 | 171.7 | 62.4 | 0 | 0 | 112.4 | ||||
| 10 | S | 39.9 | Very low | 37.3 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | -158 | 116.5 | 149 | -78.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 11 | N | 35.1 | Very low | 37.4 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 59% | 0.588 | 78% | 0.783 | S | S | * | * | trans | -81.9 | 169.6 | 174.5 | -54.6 | -25.3 | 0 | 0 | 0 | 108.7 | ||||
| 12 | F | 33.7 | Very low | 37.2 | Very low | 185 Ų | 185 | 139.9 Ų | 139.9 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | cis | -144.2 | 133.6 | 25.8 | -79.9 | -89.4 | 0 | 0 | 0 | 109.5 | ||||
| 13 | S | 33.8 | Very low | 37 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | 80 | 98.8 | 84.2 | -158.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 14 | C | 26.1 | Very low | 36.5 | Very low | 129 Ų | 129 | 138 Ų | 138 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -65.1 | 150.3 | 158.1 | -49.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 15 | V | 33.5 | Very low | 36 | Very low | 136 Ų | 136 | 138 Ų | 138 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -131.8 | 134.1 | 165.2 | 178.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 16 | A | 35.8 | Very low | 35.6 | Very low | 79 Ų | 79 | 141 Ų | 141 | 65% | 0.653 | 80% | 0.798 | S | S | * | * | trans | -93.4 | 156.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 17 | I | 30.5 | Very low | 35.7 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 25.3 | 117.5 | 136.8 | -52 | 164.8 | 0 | 0 | 0 | 116.2 | ||||
| 18 | N | 36 | Very low | 35.3 | Very low | 168 Ų | 168 | 141.6 Ų | 141.6 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | -147.2 | 151.5 | 126.5 | -98.5 | -30.5 | 0 | 0 | 0 | 110.7 | |||||
| 19 | K | 34.9 | Very low | 34.7 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | trans | -117.5 | 162.5 | 177.7 | -106.4 | -168 | 175.5 | -169.7 | 0 | 108.6 | ||||
| 20 | D | 34.7 | Very low | 35 | Very low | 146 Ų | 146 | 145.2 Ų | 145.2 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | 67.5 | 147.9 | 168.8 | -42.3 | -38.7 | 0 | 0 | 0 | 112.9 | ||||
| 21 | E | 38.9 | Very low | 34.7 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | cis | -134.5 | -172.5 | 33.6 | -68 | -171 | 111 | 0 | 0 | 115.4 | ||||
| 22 | Y | 34.6 | Very low | 34.7 | Very low | 226 Ų | 226 | 150.4 Ų | 150.4 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | trans | -70.8 | 159.5 | -176.3 | -88.6 | -118.2 | 0 | 0 | 0 | 115.5 | ||||
| 23 | G | 34.4 | Very low | 34.7 | Very low | 77 Ų | 77 | 148.5 Ų | 148.5 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -169.8 | 55.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 24 | S | 31.9 | Very low | 34.9 | Very low | 112 Ų | 112 | 154.3 Ų | 154.3 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -64.1 | 134.7 | -177.2 | -51 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 25 | S | 36.2 | Very low | 35.5 | Very low | 120 Ų | 120 | 153.5 Ų | 153.5 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -152.6 | 103.6 | 158.7 | -163.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 26 | E | 33.3 | Very low | 35.7 | Very low | 178 Ų | 178 | 152.4 Ų | 152.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -71.7 | 145.2 | 171.4 | -59.8 | 164 | 108.8 | 0 | 0 | 110.4 | ||||
| 27 | K | 41.6 | Very low | 35.8 | Very low | 190 Ų | 190 | 157 Ų | 157 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -169.9 | 147.7 | 140.7 | -109.1 | 153.5 | -171 | 169.6 | 0 | 115.3 | ||||
| 28 | N | 35.6 | Very low | 36.6 | Very low | 144 Ų | 144 | 155.5 Ų | 155.5 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 70.6 | 94.2 | 158.3 | -62.2 | 8.1 | 0 | 0 | 0 | 117.1 | ||||
| 29 | E | 32.4 | Very low | 36.6 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -56.4 | 144.6 | 158.5 | -53.8 | 152 | 105.9 | 0 | 0 | 111.8 | ||||
| 30 | T | 41.7 | Very low | 36.6 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -135 | 80.8 | 155.2 | 43.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 31 | N | 33.5 | Very low | 36.7 | Very low | 132 Ų | 132 | 151.4 Ų | 151.4 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | 19.4 | 105.4 | 142.8 | -173.1 | 8 | 0 | 0 | 0 | 117.3 | Q33 | N31-Q33 PolarHBondContact OD1-N 3.05Š| ||
| 32 | Y | 35.2 | Very low | 36.7 | Very low | 209 Ų | 209 | 153.2 Ų | 153.2 | 82% | 0.82 | 79% | 0.792 | S | S | * | * | trans | -120.1 | 95.2 | 157.4 | -87.7 | -83 | 0 | 0 | 0 | 110.1 | ||||
| 33 | Q | 35.4 | Very low | 36.9 | Very low | 145 Ų | 145 | 149.6 Ų | 149.6 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | trans | -79.7 | 114.4 | 172.2 | -178.1 | 167 | -20.8 | 0 | 0 | 109.9 | N31 D35 | N31-Q33 PolarHBondContact OD1-N 3.05Å; Q33-D35 PolarHBondContact NE2-OD2 2.86Å | ||
| 34 | Y | 38 | Very low | 37 | Very low | 220 Ų | 220 | 151.9 Ų | 151.9 | 86% | 0.863 | 79% | 0.785 | S | S | * | * | trans | -99.9 | 102 | 168.7 | -103 | -85.2 | 0 | 0 | 0 | 109.5 | ||||
| 35 | D | 36.7 | Very low | 37.2 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 60% | 0.599 | 78% | 0.783 | S | S | * | * | trans | -98.5 | 159.3 | 174.7 | -113.6 | -58.3 | 0 | 0 | 0 | 111.3 | Q33 | Q33-D35 PolarHBondContact NE2-OD2 2.86Š| ||
| 36 | S | 39.3 | Very low | 37.3 | Very low | 112 Ų | 112 | 157.2 Ų | 157.2 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | 75.8 | 130.1 | 167.4 | -50.4 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 37 | E | 37.2 | Very low | 37.4 | Very low | 175 Ų | 175 | 157.9 Ų | 157.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -69.3 | 159.5 | 165.3 | -59.6 | 167.8 | 95.8 | 0 | 0 | 113 | ||||
| 38 | P | 47.2 | Very low | 37.3 | Very low | 123 Ų | 123 | 152.5 Ų | 152.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -108 | 79.9 | 155.7 | 36.4 | -27.1 | 0 | 0 | 0 | 111.9 | A40 | P38-A40 PolarHBondContact O-N 2.92Å; P38-A40 VanDerWaalsContact O-N 3.15Å | ||
| 39 | D | 35.8 | Very low | 37.2 | Very low | 154 Ų | 154 | 150.7 Ų | 150.7 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | trans | -70.2 | 101.2 | 169.2 | 177.8 | 26.5 | 0 | 0 | 0 | 110.7 | ||||
| 40 | A | 36.1 | Very low | 37.5 | Very low | 73 Ų | 73 | 147.5 Ų | 147.5 | 60% | 0.603 | 78% | 0.781 | S | S | * | * | trans | -154.5 | 28.6 | -164 | 0 | 0 | 0 | 0 | 0 | 118.2 | P38 R42 | P38-A40 PolarHBondContact O-N 2.92Å; P38-A40 VanDerWaalsContact O-N 3.15Å; A40-R42 PolarHBondContact O-N 3.01Å | ||
| 41 | L | 36 | Very low | 37.2 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -75.7 | 66.5 | 167.9 | -87.1 | 179.3 | 0 | 0 | 0 | 112.6 | I43 | L41-I43 PolarHBondContact O-N 3Å; L41-I43 VanDerWaalsContact O-N 3.07Å | ||
| 42 | R | 37.9 | Very low | 37.5 | Very low | 231 Ų | 231 | 146.5 Ų | 146.5 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -75.9 | 87.7 | 172.7 | -80.4 | -174.3 | 170.3 | 172.5 | -1.1 | 111.8 | A40 V44 | A40-R42 PolarHBondContact O-N 3.01Å; R42-V44 PolarHBondContact O-N 2.88Å | ||
| 43 | I | 38.8 | Very low | 37.3 | Very low | 151 Ų | 151 | 144 Ų | 144 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | trans | -71.1 | 115.6 | 160.5 | -62.7 | 179 | 0 | 0 | 0 | 108.3 | L41 S45 | L41-I43 PolarHBondContact O-N 3Å; L41-I43 VanDerWaalsContact O-N 3.07Å; I43-S45 PolarHBondContact O-N 2.92Å; I43-S45 VanDerWaalsContact O-N 3.11Å | ||
| 44 | V | 37.9 | Very low | 37.2 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | trans | -84 | 85.2 | -177.3 | -176.9 | 0 | 0 | 0 | 0 | 110.6 | R42 R46 | R42-V44 PolarHBondContact O-N 2.88Å; V44-R46 PolarHBondContact O-N 3.48Å | ||
| 45 | S | 35.2 | Very low | 36.7 | Very low | 105 Ų | 105 | 137.1 Ų | 137.1 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -70.4 | 110.2 | 162.2 | -69.8 | 0 | 0 | 0 | 0 | 109.5 | I43 E47 | I43-S45 PolarHBondContact O-N 2.92Å; I43-S45 VanDerWaalsContact O-N 3.11Å; S45-E47 PolarHBondContact O-N 2.94Å | ||
| 46 | R | 39.1 | Very low | 36.5 | Very low | 239 Ų | 239 | 137.4 Ų | 137.4 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -95.3 | 93.8 | -177.8 | -167.7 | 177.8 | -171.5 | 173.4 | 2.8 | 110.5 | V44 | V44-R46 PolarHBondContact O-N 3.48Š| ||
| 47 | E | 35.8 | Very low | 36.2 | Very low | 192 Ų | 192 | 138.2 Ų | 138.2 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | -66 | 154 | 175.6 | -65.7 | -170 | 122 | 0 | 0 | 112.9 | S45 | S45-E47 PolarHBondContact O-N 2.94Š| ||
| 48 | G | 39.1 | Very low | 36.2 | Very low | 77 Ų | 77 | 137 Ų | 137 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | trans | 177.7 | 57.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 49 | S | 33.6 | Very low | 35.5 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -69 | 155.5 | 172.5 | -149.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 50 | P | 38.4 | Very low | 35.6 | Very low | 121 Ų | 121 | 137 Ų | 137 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | -141.6 | 157.7 | 77.4 | 37.1 | -20.7 | 0 | 0 | 0 | 116.3 | |||||
| 51 | V | 35.8 | Very low | 35.6 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -87.1 | 143.4 | 170.8 | 173.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 52 | P | 39 | Very low | 35.7 | Very low | 120 Ų | 120 | 137.8 Ų | 137.8 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -111 | 154.3 | 149.5 | 35.5 | -28.3 | 0 | 0 | 0 | 112.6 | ||||
| 53 | L | 30.3 | Very low | 35.9 | Very low | 157 Ų | 157 | 134.4 Ų | 134.4 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | -100 | -177.3 | -171.5 | -72 | 164.6 | 0 | 0 | 0 | 113.4 | ||||
| 54 | S | 33.4 | Very low | 35.8 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | 84.4 | 117.8 | 169.9 | 83.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 55 | C | 27.7 | Very low | 36 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | 90.4 | 143.4 | 83.6 | -71.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 56 | T | 33.4 | Very low | 36.3 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | cis | -162.7 | 144.2 | 13.4 | -7.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 57 | T | 31.9 | Very low | 36.3 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | 50.8 | 162 | 149.5 | 24.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 58 | E | 37.1 | Very low | 36.7 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | -141.3 | 148 | 18.8 | -86.8 | -155.7 | 104.5 | 0 | 0 | 114.4 | ||||
| 59 | T | 33.4 | Very low | 36.9 | Very low | 93 Ų | 93 | 133.9 Ų | 133.9 | 57% | 0.571 | 75% | 0.745 | S | S | * | * | trans | 42.6 | 153.7 | 141.7 | 79.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 60 | R | 36.8 | Very low | 37.4 | Very low | 184 Ų | 184 | 134.6 Ų | 134.6 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | cis | -166.5 | 175 | 19.8 | -122 | 147 | -172.8 | 130 | -9.5 | 106.4 | ||||
| 61 | F | 37.3 | Very low | 38.4 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | cis | -143.7 | 124 | 0.7 | -86.9 | -76.2 | 0 | 0 | 0 | 104.9 | ||||
| 62 | S | 38.6 | Very low | 38.5 | Very low | 89 Ų | 89 | 134.6 Ų | 134.6 | 62% | 0.622 | 75% | 0.752 | S | S | * | * | 82.6 | 95.7 | 74.4 | 79.2 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 63 | N | 40.3 | Very low | 38.8 | Very low | 161 Ų | 161 | 136.7 Ų | 136.7 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | trans | 176.6 | 96.4 | 144.9 | -96.7 | -26.1 | 0 | 0 | 0 | 108.1 | ||||
| 64 | V | 38 | Very low | 39.5 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | 79.3 | 101.2 | 57.7 | -177.8 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 65 | R | 40.9 | Very low | 39.8 | Very low | 233 Ų | 233 | 134.9 Ų | 134.9 | 88% | 0.879 | 76% | 0.756 | S | S | * | * | -174.2 | 130.8 | 124.1 | -98.6 | 173.5 | -171.4 | -155.9 | 0.5 | 112.1 | |||||
| 66 | H | 42.7 | Very low | 40.9 | Very low | 169 Ų | 169 | 135 Ų | 135 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | trans | 17.9 | 127.6 | 164.1 | -63.1 | -91.4 | 0 | 0 | 0 | 121.2 | ||||
| 67 | V | 38.5 | Very low | 41.3 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | cis | 72.1 | 119.6 | 49.4 | -176.5 | 0 | 0 | 0 | 0 | 111 | ||||
| 68 | T | 43.5 | Very low | 41.8 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | -155.2 | 149.2 | 74.8 | -57.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 69 | P | 45.2 | Very low | 42 | Very low | 106 Ų | 106 | 135.5 Ų | 135.5 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 173.2 | -176.4 | 39 | -37.4 | 0 | 0 | 0 | 115.6 | ||
| 70 | P | 43 | Very low | 42.3 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 158.9 | -179.5 | 36.6 | -36.4 | 0 | 0 | 0 | 114.8 | ||
| 71 | P | 58.9 | Low | 42.7 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 162.7 | 172.1 | 37.9 | -33.7 | 0 | 0 | 0 | 113.8 | ||
| 72 | S | 38.3 | Very low | 42.6 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -146.4 | 145.2 | 164.9 | -61 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 73 | L | 46.3 | Very low | 42.7 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | trans | -161.6 | 148.5 | 172.1 | -102.3 | 138 | 0 | 0 | 0 | 111.4 | ||||
| 74 | D | 43.3 | Very low | 42.5 | Very low | 155 Ų | 155 | 133.4 Ų | 133.4 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | -41.2 | 164.3 | 174.8 | -53.4 | -97.3 | 0 | 0 | 0 | 116 | ||||
| 75 | G | 40.5 | Very low | 42.6 | Very low | 69 Ų | 69 | 138.8 Ų | 138.8 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | cis | 138.8 | -172.9 | 20.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 76 | P | 51.4 | Low | 42.6 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | cis | -128.3 | -169.2 | -17.2 | 42.8 | -25.9 | 0 | 0 | 0 | 113.4 | ||||
| 77 | E | 42 | Very low | 42.6 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 77% | 0.771 | 77% | 0.773 | S | S | * | * | trans | 23.4 | 148.2 | 152 | -70.5 | -169.1 | 82.5 | 0 | 0 | 123.6 | ||||
| 78 | V | 42.2 | Very low | 42.6 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | -165.8 | 135.2 | 76.6 | 151.2 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 79 | L | 41.4 | Very low | 42.1 | Very low | 119 Ų | 119 | 137.6 Ų | 137.6 | 62% | 0.623 | 78% | 0.784 | S | S | * | * | trans | 37.8 | 117.4 | 149.6 | -56.7 | 177.4 | 0 | 0 | 0 | 121 | ||||
| 80 | Q | 39.2 | Very low | 41.8 | Very low | 170 Ų | 170 | 136.9 Ų | 136.9 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | 80.9 | 157.3 | 69.2 | -80.1 | -167.8 | 46.3 | 0 | 0 | 115.9 | |||||
| 81 | P | 44.2 | Very low | 42 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | cis | -140.5 | -174.1 | -33.9 | 40.1 | -21.8 | 0 | 0 | 0 | 115.4 | ||||
| 82 | A | 35.5 | Very low | 41.1 | Very low | 94 Ų | 94 | 137.3 Ų | 137.3 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | trans | -44.5 | 167 | 179.6 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 83 | V | 42.5 | Very low | 42.1 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | -163.5 | 151.1 | 128.6 | 135.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 84 | N | 34.1 | Very low | 41.7 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | -76.2 | 154.5 | -173.3 | -50.6 | -80.8 | 0 | 0 | 0 | 116.2 | ||||
| 85 | R | 40.1 | Very low | 41.8 | Very low | 235 Ų | 235 | 133.6 Ų | 133.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | 171.1 | 120.6 | 109.2 | -93.7 | 167.3 | 177.6 | 160.3 | 0.4 | 116.9 | |||||
| 86 | V | 41.2 | Very low | 41.8 | Very low | 136 Ų | 136 | 139.1 Ų | 139.1 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | 50.6 | 135.8 | 124.9 | -174.8 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 87 | P | 43.2 | Very low | 41.1 | Very low | 117 Ų | 117 | 137.5 Ų | 137.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | trans | -104 | 171.2 | -167.2 | 41.6 | -38.4 | 0 | 0 | 0 | 117.5 | ||||
| 88 | R | 38.8 | Very low | 41.1 | Very low | 234 Ų | 234 | 134.5 Ų | 134.5 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -161.9 | 136.7 | 157.1 | -96.4 | 159.2 | -176.9 | -153 | -2.5 | 107.8 | ||||
| 89 | T | 33.1 | Very low | 41 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | 84.2 | 88.3 | 54.3 | -49.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 90 | A | 38.2 | Very low | 41.2 | Very low | 91 Ų | 91 | 134 Ų | 134 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -170.2 | 115.5 | 154.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 91 | V | 47.5 | Very low | 41.2 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 67.9 | 115.3 | 80 | 177.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 92 | P | 41.1 | Very low | 40.9 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -89.7 | 157.3 | 173 | 36.8 | -34.4 | 0 | 0 | 0 | 112.7 | ||||
| 93 | P | 57.8 | Low | 41 | Very low | 128 Ų | 128 | 139.5 Ų | 139.5 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | trans | -88.1 | 149.9 | 171.4 | 35.1 | -33.2 | 0 | 0 | 0 | 112.7 | ||||
| 94 | A | 38.8 | Very low | 40.7 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -138.7 | 139.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 95 | V | 45.8 | Very low | 40.7 | Very low | 133 Ų | 133 | 137.7 Ų | 137.7 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -169.2 | 150.2 | 174.4 | -91.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 96 | E | 39.9 | Very low | 40.3 | Very low | 185 Ų | 185 | 131 Ų | 131 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | cis | -153.3 | 167 | -25.3 | -166 | 159.6 | 130.2 | 0 | 0 | 109.2 | ||||
| 97 | A | 37.3 | Very low | 40.1 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 69% | 0.686 | 80% | 0.799 | S | S | * | * | trans | -89.3 | 171.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | V99 | A97-V99 HydrophobicContact CB-CG2 4.44Š| ||
| 98 | A | 41.4 | Very low | 39.6 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -142.1 | 139 | 150.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 99 | V | 39.3 | Very low | 39.6 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -155.3 | -176.9 | -174.7 | -122.7 | 0 | 0 | 0 | 0 | 106.4 | A97 | A97-V99 HydrophobicContact CB-CG2 4.44Š| ||
| 100 | P | 46.4 | Very low | 39.7 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 66% | 0.656 | 79% | 0.791 | S | S | * | * | cis | -132.8 | -156.2 | -18.6 | 29 | -4.5 | 0 | 0 | 0 | 112.6 | ||||
| 101 | Q | 39.4 | Very low | 39.7 | Very low | 190 Ų | 190 | 130.8 Ų | 130.8 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | 88.1 | 134.2 | 161.4 | -47.9 | -177.3 | 16.6 | 0 | 0 | 117.7 | ||||
| 102 | G | 37.2 | Very low | 39.3 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | cis | 166.7 | 151.8 | -15.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 103 | R | 37.2 | Very low | 39.5 | Very low | 229 Ų | 229 | 131.5 Ų | 131.5 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 69.5 | 135.9 | 151.4 | -86.8 | -176.5 | 169.6 | 172.3 | -3 | 122.3 | ||||
| 104 | N | 36.8 | Very low | 38.8 | Very low | 145 Ų | 145 | 130 Ų | 130 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | trans | 72.9 | 151 | 145.7 | -60.6 | 1.1 | 0 | 0 | 0 | 118.2 | ||||
| 105 | A | 34.7 | Very low | 38.8 | Very low | 96 Ų | 96 | 131 Ų | 131 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | cis | -161.5 | 170 | -22.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 106 | A | 31.4 | Very low | 38.9 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -65.4 | 155.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 107 | L | 37.4 | Very low | 39.4 | Very low | 163 Ų | 163 | 127.7 Ų | 127.7 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | -167.1 | 159.5 | 127.5 | -107.7 | 162.3 | 0 | 0 | 0 | 113.9 | |||||
| 108 | N | 32.9 | Very low | 40 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -75.1 | 153.3 | -173.7 | -54.9 | -42.5 | 0 | 0 | 0 | 113.5 | ||||
| 109 | Q | 39.3 | Very low | 40.4 | Very low | 197 Ų | 197 | 130.3 Ų | 130.3 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | -171.1 | 159.7 | 107.3 | -102.9 | 158 | 104.7 | 0 | 0 | 116.4 | |||||
| 110 | S | 33.5 | Very low | 40.9 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | -69.8 | 151.3 | -175.8 | 177.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 111 | S | 39.1 | Very low | 41.4 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | trans | -150.9 | 135.3 | 136.3 | -84.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 112 | V | 38.3 | Very low | 42.2 | Very low | 118 Ų | 118 | 128 Ų | 128 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | trans | -77.6 | 142 | -175.2 | 174.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 113 | V | 46.1 | Very low | 42.8 | Very low | 144 Ų | 144 | 132.5 Ų | 132.5 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | -126.6 | 133 | 157.3 | -176.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 114 | S | 42.5 | Very low | 43.2 | Very low | 97 Ų | 97 | 130.1 Ų | 130.1 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | -113.5 | 169.2 | -176.8 | -109.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 115 | P | 39.4 | Very low | 43.9 | Very low | 116 Ų | 116 | 129.1 Ų | 129.1 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | trans | -93 | 159.9 | -140.7 | -2.6 | 21.5 | 0 | 0 | 0 | 115.1 | P117 | P115-P117 WeakPolarHBondContact O-CD 3.44Š| ||
| 116 | V | 48.6 | Very low | 44.7 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -96.4 | 113.4 | 166.6 | -180 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 117 | P | 48.5 | Very low | 45.9 | Very low | 117 Ų | 117 | 130.5 Ų | 130.5 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 124.4 | 173.9 | 31.2 | -32.2 | 0 | 0 | 0 | 110.7 | P115 | P115-P117 WeakPolarHBondContact O-CD 3.44Š|
| 118 | I | 51.5 | Low | 46.4 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 120.7 | 169.2 | -62.2 | 177.8 | 0 | 0 | 0 | 108.2 | ||
| 119 | A | 48.3 | Very low | 46.8 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 148.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 120 | P | 50.6 | Low | 46.9 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -69 | 139 | 177.3 | 28.8 | -34.8 | 0 | 0 | 0 | 111.9 | ||
| 121 | V | 57.2 | Low | 47.2 | Very low | 131 Ų | 131 | 123.6 Ų | 123.6 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 131.2 | 178 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | I123 | V121-I123 PolarHBondContact O-N 3.16Š|
| 122 | P | 55.1 | Low | 47.4 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 129.3 | 177.3 | -20.9 | 33.1 | 0 | 0 | 0 | 112.9 | ||
| 123 | I | 51 | Low | 47.3 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 86% | 0.862 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 124.5 | 170 | -61 | 174 | 0 | 0 | 0 | 108.6 | V121 | V121-I123 PolarHBondContact O-N 3.16Š|
| 124 | Q | 46.1 | Very low | 46.9 | Very low | 180 Ų | 180 | 130.1 Ų | 130.1 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 135.8 | 174.3 | -69.7 | -174.1 | -6.3 | 0 | 0 | 111.2 | ||
| 125 | P | 51.1 | Low | 46.7 | Very low | 123 Ų | 123 | 130 Ų | 130 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 149.3 | 175 | 31.7 | -34.7 | 0 | 0 | 0 | 112 | ||
| 126 | A | 50.6 | Low | 46.7 | Very low | 88 Ų | 88 | 131 Ų | 131 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 147.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | T128 | A126-T128 PolarHBondContact O-N 3.11Š|
| 127 | P | 58 | Low | 46.3 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 128.5 | 179.3 | 29 | -34.3 | 0 | 0 | 0 | 111.9 | ||
| 128 | T | 47.4 | Very low | 45.6 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -83 | 147 | 176.4 | -61.9 | 0 | 0 | 0 | 0 | 111.3 | A126 | A126-T128 PolarHBondContact O-N 3.11Š|
| 129 | A | 40 | Very low | 45.1 | Very low | 93 Ų | 93 | 128.7 Ų | 128.7 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 131 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 130 | G | 42.4 | Very low | 44.5 | Very low | 78 Ų | 78 | 129.7 Ų | 129.7 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 122.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 131 | T | 39.4 | Very low | 43.7 | Very low | 137 Ų | 137 | 133.2 Ų | 133.2 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 122.3 | 174.1 | 55.4 | 0 | 0 | 0 | 0 | 111.7 | ||
| 132 | T | 43.3 | Very low | 43 | Very low | 143 Ų | 143 | 132.3 Ų | 132.3 | 88% | 0.877 | 81% | 0.812 | S | S | * | * | trans | -126 | 137.2 | 171.5 | -51.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 133 | K | 36.7 | Very low | 42.1 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | -120.4 | 129.4 | -178.9 | -64.9 | 177.8 | -179.6 | 175.4 | 0 | 111.3 | ||||
| 134 | Q | 37.7 | Very low | 41.5 | Very low | 180 Ų | 180 | 137.7 Ų | 137.7 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | -152.6 | 113.9 | 156.9 | -93.3 | 179.8 | -22.5 | 0 | 0 | 106.2 | ||||
| 135 | S | 38.1 | Very low | 40.9 | Very low | 93 Ų | 93 | 133.4 Ų | 133.4 | 65% | 0.65 | 81% | 0.808 | S | S | * | * | 60.7 | 101.6 | 86.6 | 67.9 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 136 | V | 39.1 | Very low | 40.3 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 83% | 0.83 | 81% | 0.808 | S | S | * | * | 74 | 138.9 | 76.1 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 137 | P | 40.7 | Very low | 39.5 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | cis | -123.9 | -161.7 | 13 | 35.2 | -14.6 | 0 | 0 | 0 | 115.2 | ||||
| 138 | A | 33.9 | Very low | 38.5 | Very low | 92 Ų | 92 | 133.4 Ų | 133.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | trans | -120.3 | 164.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 139 | T | 39.5 | Very low | 38 | Very low | 144 Ų | 144 | 133 Ų | 133 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -160.5 | 152.1 | 158.2 | 12.8 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 140 | A | 37.1 | Very low | 37.8 | Very low | 99 Ų | 99 | 133.3 Ų | 133.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 71.9 | 116.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 141 | F | 34.3 | Very low | 37.6 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | trans | -75.2 | 165.1 | 154.2 | -83.3 | -84 | 0 | 0 | 0 | 111.2 | ||||
| 142 | P | 41.7 | Very low | 37.7 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | -156.9 | 149.9 | 77.2 | 40.4 | -18.2 | 0 | 0 | 0 | 121 | |||||
| 143 | L | 36.7 | Very low | 37.4 | Very low | 159 Ų | 159 | 133.8 Ų | 133.8 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 35 | 125.1 | 133.1 | -55.3 | 169.7 | 0 | 0 | 0 | 122.1 | ||||
| 144 | R | 36.8 | Very low | 37.2 | Very low | 235 Ų | 235 | 130.1 Ų | 130.1 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | -176.1 | 132.3 | 101.7 | -106 | 179.8 | 175.5 | 166.2 | -0.5 | 115.8 | |||||
| 145 | S | 35 | Very low | 37.2 | Very low | 91 Ų | 91 | 126.7 Ų | 126.7 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | 28.4 | 140.7 | 132.2 | 64.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 146 | L | 38.5 | Very low | 37.1 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | -156.8 | 132.1 | 51.9 | -79.7 | 167.3 | 0 | 0 | 0 | 110.3 | |||||
| 147 | S | 33 | Very low | 37.3 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | 49.4 | 132.4 | 95.5 | 74.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 148 | A | 36.6 | Very low | 37 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -153.9 | -156.6 | -0.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 149 | T | 37.1 | Very low | 37.2 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | -162 | -179.7 | 14.7 | -24.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 150 | S | 35.2 | Very low | 37 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -3.5 | 150.7 | 156.2 | 60.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 151 | A | 38.6 | Very low | 37 | Very low | 82 Ų | 82 | 128.3 Ų | 128.3 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | cis | -157.5 | 153.2 | 33.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 152 | H | 42.5 | Very low | 37.1 | Very low | 166 Ų | 166 | 123.1 Ų | 123.1 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | 22.7 | 148.1 | 134.9 | -52.6 | -62.7 | 0 | 0 | 0 | 121.8 | ||||
| 153 | T | 36.4 | Very low | 36.9 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 73% | 0.73 | 75% | 0.748 | S | S | * | * | cis | -162.1 | 140.2 | 10.8 | -2.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 154 | V | 32.8 | Very low | 36.8 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 73% | 0.733 | 75% | 0.748 | S | S | * | * | trans | 24.6 | 123.4 | 134.1 | -177.2 | 0 | 0 | 0 | 0 | 121.7 | T156 | V154-T156 HydrophobicContact CG1-CG2 4.43Š| ||
| 155 | S | 36.9 | Very low | 36.9 | Very low | 108 Ų | 108 | 116 Ų | 116 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | 177.3 | 99.2 | 127.4 | 29.5 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 156 | T | 37 | Very low | 37.2 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | 86.9 | 145.9 | 84.2 | 49.1 | 0 | 0 | 0 | 0 | 115.7 | V154 | V154-T156 HydrophobicContact CG1-CG2 4.43Š| |||
| 157 | P | 42.8 | Very low | 37.2 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | trans | -125 | -174.5 | -153.5 | 43.5 | -29.4 | 0 | 0 | 0 | 114.9 | ||||
| 158 | S | 35.2 | Very low | 37.6 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | trans | 164.4 | -180 | 133 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 159 | A | 37.7 | Very low | 37.8 | Very low | 88 Ų | 88 | 121.3 Ų | 121.3 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 75.2 | 108.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 160 | L | 34.8 | Very low | 37.9 | Very low | 151 Ų | 151 | 122.5 Ų | 122.5 | 79% | 0.791 | 72% | 0.723 | S | S | * | * | cis | 62.2 | 137.1 | 29.4 | -50.1 | 174.3 | 0 | 0 | 0 | 112.6 | ||||
| 161 | N | 37.1 | Very low | 37.9 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | cis | -160.5 | 171.2 | 17.7 | -140.6 | -10.2 | 0 | 0 | 0 | 112.8 | ||||
| 162 | S | 36.7 | Very low | 37.9 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 64% | 0.643 | 73% | 0.727 | S | S | * | * | trans | 71.8 | 146.2 | 154.3 | -51.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 163 | L | 37.6 | Very low | 37.6 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | cis | -153.7 | 154.6 | -11.4 | -142 | 86.4 | 0 | 0 | 0 | 111.3 | ||||
| 164 | L | 35.4 | Very low | 37.7 | Very low | 157 Ų | 157 | 127.1 Ų | 127.1 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | 18.5 | 143.3 | 146.9 | -111.7 | 56 | 0 | 0 | 0 | 121.9 | ||||
| 165 | G | 39 | Very low | 37.6 | Very low | 55 Ų | 55 | 130.6 Ų | 130.6 | 57% | 0.567 | 74% | 0.737 | S | S | * | * | cis | -167 | 161.8 | 4.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 166 | T | 40.1 | Very low | 37.6 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | 66.5 | 133.9 | 103.7 | 59.2 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 167 | L | 38.9 | Very low | 37.5 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 73% | 0.728 | 75% | 0.746 | S | S | * | * | cis | -159.7 | 150.4 | 29.2 | -157.5 | 72.7 | 0 | 0 | 0 | 111.8 | ||||
| 168 | E | 40.6 | Very low | 37.1 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 61% | 0.607 | 75% | 0.75 | S | S | * | * | trans | 29.8 | 152.7 | 145.5 | -64.6 | -177.3 | 125.6 | 0 | 0 | 123.6 | ||||
| 169 | K | 41.4 | Very low | 37.1 | Very low | 150 Ų | 150 | 133.3 Ų | 133.3 | 65% | 0.652 | 76% | 0.755 | S | S | * | * | cis | -161.9 | 174 | -2.5 | -123.9 | 168.5 | 177.7 | 156.9 | 0 | 113.2 | ||||
| 170 | Q | 39.6 | Very low | 37.1 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 72% | 0.715 | 76% | 0.76 | S | S | * | * | trans | -6.1 | 140.7 | 156.9 | -63.6 | 157.5 | -69.3 | 0 | 0 | 117.8 | ||||
| 171 | G | 35.9 | Very low | 37.1 | Very low | 73 Ų | 73 | 134.8 Ų | 134.8 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | 98.7 | 142.8 | 54.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 172 | Q | 38.1 | Very low | 37.2 | Very low | 153 Ų | 153 | 136 Ų | 136 | 72% | 0.715 | 77% | 0.765 | S | S | * | * | cis | -158.2 | 174.6 | 31.7 | -55.1 | 179.9 | -3 | 0 | 0 | 111.7 | ||||
| 173 | R | 36 | Very low | 37.2 | Very low | 214 Ų | 214 | 138.1 Ų | 138.1 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | 34 | 142.9 | 135.4 | -63.1 | 170.8 | -166.6 | -132.3 | 3.2 | 120 | ||||
| 174 | T | 38.6 | Very low | 37.1 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | cis | -161.1 | 171.5 | 18.2 | -10.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 175 | F | 31.5 | Very low | 37.1 | Very low | 194 Ų | 194 | 135 Ų | 135 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -65 | 153.9 | 175.5 | -51.9 | -94.7 | 0 | 0 | 0 | 115 | ||||
| 176 | S | 36.3 | Very low | 36.9 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | -171.7 | 158.5 | 110.6 | -79.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 177 | S | 35 | Very low | 36.7 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -93.2 | 148.9 | -178.4 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 178 | G | 34.6 | Very low | 36.7 | Very low | 80 Ų | 80 | 145.8 Ų | 145.8 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -161.4 | 136.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 179 | Q | 34.1 | Very low | 36.6 | Very low | 193 Ų | 193 | 146 Ų | 146 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -90.9 | 152.4 | 173.5 | -63.5 | 172.9 | -40.8 | 0 | 0 | 110.5 | ||||
| 180 | S | 37.5 | Very low | 36.9 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 83% | 0.832 | 81% | 0.813 | S | S | * | * | 167.4 | 166.6 | 118.2 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 181 | N | 34.5 | Very low | 36.8 | Very low | 151 Ų | 151 | 143.4 Ų | 143.4 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | trans | -81.3 | 166 | -177.8 | -55.6 | -51.7 | 0 | 0 | 0 | 112.3 | ||||
| 182 | I | 40.4 | Very low | 36.8 | Very low | 155 Ų | 155 | 147.7 Ų | 147.7 | 80% | 0.795 | 82% | 0.817 | S | S | * | * | 165.5 | 131.5 | 119 | -83.9 | 155.9 | 0 | 0 | 0 | 112.8 | |||||
| 183 | N | 36.4 | Very low | 36.9 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 73% | 0.733 | 82% | 0.821 | S | S | * | * | trans | 28.3 | 128.9 | 153.7 | -59.5 | -12 | 0 | 0 | 0 | 124.1 | ||||
| 184 | N | 34.7 | Very low | 36.7 | Very low | 160 Ų | 160 | 141.7 Ų | 141.7 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | 26.3 | 126.2 | 123.2 | -57.8 | -9.5 | 0 | 0 | 0 | 120.6 | |||||
| 185 | G | 35.7 | Very low | 36.9 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | -150.9 | 135 | 159.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 186 | F | 34.4 | Very low | 37 | Very low | 225 Ų | 225 | 141.2 Ų | 141.2 | 99% | 0.987 | 83% | 0.825 | S | S | * | * | trans | -85.3 | 151 | -179.9 | -83.9 | -113.2 | 0 | 0 | 0 | 112.5 | ||||
| 187 | G | 37 | Very low | 37.3 | Very low | 77 Ų | 77 | 143.4 Ų | 143.4 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | trans | -156.3 | 146.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 188 | R | 37.6 | Very low | 37.3 | Very low | 244 Ų | 244 | 144.3 Ų | 144.3 | 92% | 0.921 | 82% | 0.82 | S | S | * | * | trans | -110.7 | 150.9 | -167.2 | -72 | -178.3 | 175.1 | -177.7 | -1.2 | 115.4 | ||||
| 189 | V | 39.2 | Very low | 37.6 | Very low | 134 Ų | 134 | 145 Ų | 145 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -37.8 | 177.5 | 145.4 | -95.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 190 | P | 47.3 | Very low | 37.6 | Very low | 102 Ų | 102 | 144.7 Ų | 144.7 | 66% | 0.662 | 81% | 0.808 | S | S | * | * | cis | -138.9 | -178.5 | 4.1 | 36.8 | -16.6 | 0 | 0 | 0 | 116.9 | ||||
| 191 | N | 38.1 | Very low | 37.5 | Very low | 147 Ų | 147 | 149.3 Ų | 149.3 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | trans | 154.7 | 157 | 134.8 | -84.8 | -19.6 | 0 | 0 | 0 | 111 | ||||
| 192 | Q | 36.4 | Very low | 37.6 | Very low | 164 Ų | 164 | 148.7 Ų | 148.7 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | cis | 160.4 | 166.6 | -20.4 | -102 | -84.6 | 9.9 | 0 | 0 | 105.5 | ||||
| 193 | V | 39.3 | Very low | 37.6 | Very low | 129 Ų | 129 | 147.8 Ų | 147.8 | 78% | 0.782 | 79% | 0.794 | S | S | * | * | trans | 71.7 | 122 | -174.5 | -169.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 194 | S | 32.6 | Very low | 37.5 | Very low | 112 Ų | 112 | 151.3 Ų | 151.3 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | cis | 102.6 | 107.2 | 10.9 | -162.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 195 | S | 42 | Very low | 37.6 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -162.9 | 154.4 | 152.3 | 58.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 196 | Q | 33.2 | Very low | 37.3 | Very low | 185 Ų | 185 | 154.6 Ų | 154.6 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -146.9 | 126.2 | -168.7 | 171.8 | -167.9 | -3.3 | 0 | 0 | 110.2 | ||||
| 197 | I | 44.1 | Very low | 37.4 | Very low | 173 Ų | 173 | 150.5 Ų | 150.5 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -145.2 | 142.2 | 171.8 | -57.9 | -176.9 | 0 | 0 | 0 | 111 | ||||
| 198 | D | 33.2 | Very low | 37 | Very low | 143 Ų | 143 | 153.1 Ų | 153.1 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -158.8 | 172.5 | 178.5 | -167.6 | 38.6 | 0 | 0 | 0 | 105.9 | ||||
| 199 | P | 42.7 | Very low | 36.8 | Very low | 94 Ų | 94 | 149.8 Ų | 149.8 | 61% | 0.61 | 78% | 0.782 | S | S | * | * | cis | -128.5 | -179.9 | -14.2 | 13 | 14.2 | 0 | 0 | 0 | 115.8 | ||||
| 200 | Q | 32.5 | Very low | 36.5 | Very low | 186 Ų | 186 | 146.4 Ų | 146.4 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | 43.2 | 126.6 | 148.5 | -69.2 | -174.4 | 18.8 | 0 | 0 | 123 | ||||
| 201 | R | 36.5 | Very low | 35.9 | Very low | 216 Ų | 216 | 149.7 Ų | 149.7 | 82% | 0.815 | 78% | 0.781 | S | S | * | * | -171 | 137.9 | 127.9 | -113.9 | -174 | -179.4 | -156.2 | 2.8 | 114.6 | |||||
| 202 | M | 37.2 | Very low | 35.7 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | 58.2 | 153.3 | 145.8 | -69.8 | 169.8 | 176.1 | 0 | 0 | 120.3 | ||||
| 203 | Q | 38.5 | Very low | 35.5 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 64% | 0.64 | 77% | 0.772 | S | S | * | * | cis | -163.3 | 147.8 | -28.4 | -119.8 | -171.9 | 6 | 0 | 0 | 109.6 | ||||
| 204 | R | 34.9 | Very low | 35.1 | Very low | 210 Ų | 210 | 150 Ų | 150 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | trans | 48.8 | 121.5 | 148.2 | -64.1 | 171.8 | 169.2 | -162.5 | -4.9 | 120.9 | ||||
| 205 | Q | 37 | Very low | 35.1 | Very low | 194 Ų | 194 | 150 Ų | 150 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | -165.3 | 171 | 100.3 | -102.6 | 178.7 | 4.8 | 0 | 0 | 111.3 | |||||
| 206 | T | 30.4 | Very low | 34.7 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 69% | 0.693 | 78% | 0.782 | S | S | * | * | trans | -152.2 | 130.1 | -160 | -55.8 | 0 | 0 | 0 | 0 | 115 | L208 | T206-L208 HydrophobicContact CG2-CD1 3.79Å; T206-L208 HydrophobicContact CG2-CG 3.92Å | ||
| 207 | V | 35.1 | Very low | 34.5 | Very low | 138 Ų | 138 | 146 Ų | 146 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -151.1 | 133.8 | 161 | -178.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 208 | L | 29.2 | Very low | 33.9 | Very low | 133 Ų | 133 | 148.9 Ų | 148.9 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | cis | 83.5 | 82.2 | 8.6 | -57.9 | 173.4 | 0 | 0 | 0 | 118.7 | T206 | T206-L208 HydrophobicContact CG2-CD1 3.79Å; T206-L208 HydrophobicContact CG2-CG 3.92Å | ||
| 209 | L | 33.2 | Very low | 33.8 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | -179.1 | 163.2 | 117.9 | -117.1 | 65.5 | 0 | 0 | 0 | 113.2 | |||||
| 210 | G | 32.2 | Very low | 33.5 | Very low | 63 Ų | 63 | 152.8 Ų | 152.8 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | trans | 87.4 | 116.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 211 | Q | 36 | Very low | 33.5 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | cis | 63.4 | 133.5 | 23.3 | -49.5 | -168.7 | 20.5 | 0 | 0 | 112.8 | ||||
| 212 | N | 33.1 | Very low | 33.6 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 75% | 0.754 | 78% | 0.783 | S | S | * | * | cis | -161.6 | 178.3 | 15.6 | -97.2 | -32.5 | 0 | 0 | 0 | 108.3 | ||||
| 213 | A | 33.6 | Very low | 33.3 | Very low | 74 Ų | 74 | 150 Ų | 150 | 61% | 0.612 | 78% | 0.782 | S | S | * | * | cis | -169.1 | 157.9 | -25.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 214 | R | 30.6 | Very low | 33.1 | Very low | 231 Ų | 231 | 151.7 Ų | 151.7 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | trans | 28.8 | 130.4 | 145.9 | -61.4 | 172.5 | 179.3 | 160.2 | -1.2 | 121.6 | ||||
| 215 | A | 31.6 | Very low | 33.1 | Very low | 111 Ų | 111 | 145.7 Ų | 145.7 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -143 | 82.1 | 134 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 216 | L | 32.9 | Very low | 32.9 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -82.6 | 125.3 | 172.9 | -81.4 | 162.9 | 0 | 0 | 0 | 110.7 | ||||
| 217 | G | 30.1 | Very low | 33.1 | Very low | 64 Ų | 64 | 143.6 Ų | 143.6 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | 60.6 | 126.1 | 135 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 218 | Y | 31.3 | Very low | 33 | Very low | 234 Ų | 234 | 143.2 Ų | 143.2 | 92% | 0.918 | 78% | 0.782 | S | S | * | * | trans | -140.7 | 104.4 | 143.4 | -99 | -73.5 | 0 | 0 | 0 | 110.8 | ||||
| 219 | F | 30.2 | Very low | 33.3 | Very low | 199 Ų | 199 | 145.2 Ų | 145.2 | 87% | 0.873 | 79% | 0.787 | S | S | * | * | trans | -107.1 | 120.7 | 165.8 | -108.3 | -83.9 | 0 | 0 | 0 | 108.5 | ||||
| 220 | P | 37 | Very low | 33.4 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -99.6 | 67.3 | 170.5 | 36.3 | -31.2 | 0 | 0 | 0 | 111.1 | K222 | P220-K222 PolarHBondContact O-N 3.09Š| ||
| 221 | Q | 33.8 | Very low | 33.7 | Very low | 157 Ų | 157 | 145.4 Ų | 145.4 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -78.2 | 99.7 | 171.4 | -167.1 | -175.3 | 55.4 | 0 | 0 | 109.7 | ||||
| 222 | K | 37.3 | Very low | 33.7 | Very low | 203 Ų | 203 | 143.2 Ų | 143.2 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | -102.8 | 112.4 | 167.6 | -79.6 | -169.1 | 174.2 | -176.3 | 0 | 110.5 | P220 | P220-K222 PolarHBondContact O-N 3.09Š| ||
| 223 | N | 30.6 | Very low | 33.7 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 65% | 0.647 | 78% | 0.784 | S | S | * | * | trans | -86 | 173.7 | 170.3 | -81.1 | -67.7 | 0 | 0 | 0 | 111.6 | ||||
| 224 | L | 34.6 | Very low | 33.8 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | 89.2 | 146.4 | 158.4 | -66.2 | 150.2 | 0 | 0 | 0 | 119.5 | ||||
| 225 | A | 36.1 | Very low | 34 | Very low | 84 Ų | 84 | 143.8 Ų | 143.8 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | trans | 63.1 | 104 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 226 | N | 32.8 | Very low | 34.1 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | 91.6 | 132 | 51.2 | -76.7 | -4 | 0 | 0 | 0 | 113.3 | |||||
| 227 | S | 33.7 | Very low | 34.2 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | trans | 69 | 155.2 | 153.5 | -70.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 228 | L | 33.1 | Very low | 34.5 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 68% | 0.681 | 77% | 0.774 | S | S | * | * | cis | -169.5 | 146.6 | -32 | -157.6 | 60.6 | 0 | 0 | 0 | 107.7 | ||||
| 229 | H | 36.1 | Very low | 34.7 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | 66.3 | 155.4 | 178.8 | -41.5 | 101.7 | 0 | 0 | 0 | 115.8 | ||||
| 230 | G | 35.8 | Very low | 34.8 | Very low | 57 Ų | 57 | 137.4 Ų | 137.4 | 59% | 0.588 | 76% | 0.763 | S | S | * | * | cis | 155.2 | 142.2 | -12.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 231 | H | 37.9 | Very low | 34.9 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 85% | 0.852 | 76% | 0.759 | S | S | * | * | trans | 66.4 | 157.1 | 166.5 | -52.6 | -35.7 | 0 | 0 | 0 | 116.2 | ||||
| 232 | T | 36.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | cis | -153 | 139.5 | -15 | 7.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 233 | R | 32 | Very low | 35.2 | Very low | 224 Ų | 224 | 135 Ų | 135 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | 16.4 | 154 | 131.4 | -146.8 | -177.7 | -166.3 | -167.4 | 4.1 | 121 | ||||
| 234 | T | 36.1 | Very low | 35.4 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | trans | 84 | 154.5 | 163.4 | 75.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 235 | T | 34.1 | Very low | 35.8 | Very low | 117 Ų | 117 | 139.9 Ų | 139.9 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | cis | -160 | 169.1 | -38.7 | 33.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 236 | S | 35.5 | Very low | 35.8 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 56.5 | 100.2 | 144 | 60.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 237 | A | 33.5 | Very low | 36.2 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 76% | 0.764 | S | S | * | * | 51.9 | 145.9 | 115.8 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 238 | S | 36.4 | Very low | 36.5 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | trans | 98.9 | 114.7 | 146.7 | -63.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 239 | R | 35.2 | Very low | 36.6 | Very low | 234 Ų | 234 | 141.9 Ų | 141.9 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | 75.4 | 113.7 | 131.2 | -70.7 | -178.8 | 165.2 | -165.6 | -4.6 | 122.1 | ||||
| 240 | S | 33.8 | Very low | 36.7 | Very low | 96 Ų | 96 | 142.6 Ų | 142.6 | 67% | 0.671 | 78% | 0.778 | S | S | * | * | 61.2 | 120.4 | 118.4 | -167.2 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 241 | N | 37.9 | Very low | 36.8 | Very low | 130 Ų | 130 | 143.6 Ų | 143.6 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | 175.7 | 119.7 | 117.5 | -86.1 | -16 | 0 | 0 | 0 | 109.9 | |||||
| 242 | Q | 38.1 | Very low | 36.6 | Very low | 171 Ų | 171 | 143 Ų | 143 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | 94.6 | 167.9 | 86.4 | -79.5 | -156.4 | 19.9 | 0 | 0 | 114.6 | |||||
| 243 | V | 39.7 | Very low | 36.6 | Very low | 128 Ų | 128 | 142.9 Ų | 142.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | 77.8 | 101.2 | -173.9 | -169.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 244 | R | 35.6 | Very low | 36.6 | Very low | 214 Ų | 214 | 139.3 Ų | 139.3 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | cis | 88.9 | 101.3 | 18.8 | -160.6 | -165.1 | -162.6 | -168.4 | 7.3 | 115.9 | ||||
| 245 | H | 42.3 | Very low | 36.5 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | trans | -177 | 112.5 | 153.7 | -82.2 | -65.1 | 0 | 0 | 0 | 105.7 | ||||
| 246 | T | 36.8 | Very low | 36.6 | Very low | 109 Ų | 109 | 149.7 Ų | 149.7 | 67% | 0.669 | 80% | 0.799 | S | S | * | * | cis | 101 | 137.5 | 28.4 | -46.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 247 | I | 41.4 | Very low | 37.8 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | trans | 80.8 | 132 | 178.9 | -45.1 | 174.1 | 0 | 0 | 0 | 114.1 | ||||
| 248 | G | 39.9 | Very low | 38 | Very low | 70 Ų | 70 | 151.3 Ų | 151.3 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | cis | -172.2 | 165 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 249 | N | 34 | Very low | 37.9 | Very low | 166 Ų | 166 | 153 Ų | 153 | 89% | 0.888 | 80% | 0.804 | S | S | * | * | trans | -76.8 | 155.7 | -179.1 | -84.7 | -19.2 | 0 | 0 | 0 | 113.9 | ||||
| 250 | M | 38.3 | Very low | 38 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 94% | 0.941 | 80% | 0.8 | S | S | * | * | trans | 176.7 | 144.6 | 133 | -92.6 | -96.5 | -85 | 0 | 0 | 113 | ||||
| 251 | G | 37.5 | Very low | 37.9 | Very low | 78 Ų | 78 | 148 Ų | 148 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 94.7 | 97.8 | 149.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 252 | L | 33.4 | Very low | 38 | Very low | 170 Ų | 170 | 151 Ų | 151 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | trans | -81.4 | 167.8 | 146.6 | -86.2 | 169.5 | 0 | 0 | 0 | 109.1 | ||||
| 253 | P | 37.4 | Very low | 37.7 | Very low | 123 Ų | 123 | 150.8 Ų | 150.8 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | cis | -147.7 | -170.9 | 34.7 | 43.7 | -22.1 | 0 | 0 | 0 | 118.3 | ||||
| 254 | Q | 32.5 | Very low | 37.6 | Very low | 149 Ų | 149 | 149.3 Ų | 149.3 | 70% | 0.696 | 82% | 0.823 | S | S | * | * | trans | -59.6 | 156.8 | 179 | -66 | -159.8 | 30.7 | 0 | 0 | 116.9 | ||||
| 255 | R | 34.4 | Very low | 37.6 | Very low | 247 Ų | 247 | 143.3 Ų | 143.3 | 93% | 0.932 | 82% | 0.819 | S | S | * | * | trans | -145.5 | 137.5 | 136.2 | -74.4 | -161.5 | 174.6 | -158.4 | -2.1 | 112.3 | ||||
| 256 | Y | 35.5 | Very low | 37.1 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | -105.6 | 153.8 | 159.6 | -85.1 | -94.5 | 0 | 0 | 0 | 109.8 | ||||
| 257 | P | 60.3 | Low | 36.9 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 154.3 | 167.8 | 34.4 | -33.3 | 0 | 0 | 0 | 112.2 | ||
| 258 | P | 38.4 | Very low | 36.7 | Very low | 117 Ų | 117 | 145.1 Ų | 145.1 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 163.6 | -172.4 | 37.4 | -36.6 | 0 | 0 | 0 | 114.9 | ||
| 259 | V | 33 | Very low | 36.4 | Very low | 143 Ų | 143 | 150.2 Ų | 150.2 | 87% | 0.867 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 143.7 | 165.9 | -178.8 | 0 | 0 | 0 | 0 | 110 | ||
| 260 | S | 38.2 | Very low | 36.6 | Very low | 115 Ų | 115 | 147.2 Ų | 147.2 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -126.4 | 135.8 | 171.2 | -65.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 261 | S | 32.2 | Very low | 36.4 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 78% | 0.776 | 82% | 0.817 | S | S | * | * | trans | -115 | 149.3 | 178.3 | 57.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 262 | M | 38.9 | Very low | 36.3 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | trans | -144.6 | 148 | 160.2 | -83 | -156.7 | 131.5 | 0 | 0 | 110.8 | ||||
| 263 | N | 32.9 | Very low | 36.4 | Very low | 165 Ų | 165 | 153 Ų | 153 | 88% | 0.882 | 82% | 0.82 | S | S | * | * | trans | -97 | 155.6 | -176.9 | -56.2 | -68.9 | 0 | 0 | 0 | 111.5 | ||||
| 264 | A | 36.1 | Very low | 36.1 | Very low | 98 Ų | 98 | 150.1 Ų | 150.1 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -171.5 | 115 | 134.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 265 | A | 35.5 | Very low | 36.2 | Very low | 87 Ų | 87 | 152.4 Ų | 152.4 | 72% | 0.719 | 82% | 0.821 | S | S | * | * | 62.4 | 124.5 | 128.4 | 0 | 0 | 0 | 0 | 0 | 124.6 | |||||
| 266 | R | 33.4 | Very low | 36.2 | Very low | 234 Ų | 234 | 147.9 Ų | 147.9 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | 71.1 | 126.3 | 147.4 | -60.6 | 170.9 | -176.4 | -152 | -0.6 | 117.4 | ||||
| 267 | S | 31.5 | Very low | 36.1 | Very low | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | cis | 88.5 | 119.3 | 36.5 | -60.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 268 | V | 37.3 | Very low | 34.9 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 93% | 0.927 | 82% | 0.823 | S | S | * | * | -178.3 | 162.6 | 129.4 | 148.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 269 | H | 34.5 | Very low | 34.6 | Very low | 178 Ų | 178 | 149.6 Ų | 149.6 | 82% | 0.824 | 83% | 0.828 | S | S | * | * | trans | -98 | 162.2 | -164.4 | -148.5 | -115.9 | 0 | 0 | 0 | 113.6 | ||||
| 270 | P | 37.7 | Very low | 34.7 | Very low | 103 Ų | 103 | 152.7 Ų | 152.7 | 67% | 0.669 | 83% | 0.83 | S | S | * | * | trans | -97.2 | 168.3 | -174.7 | 38 | -36.5 | 0 | 0 | 0 | 115.3 | ||||
| 271 | Q | 35 | Very low | 34.4 | Very low | 172 Ų | 172 | 152.1 Ų | 152.1 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -142.3 | 150 | 162.6 | -78.2 | -171.8 | -18.6 | 0 | 0 | 111.3 | ||||
| 272 | Q | 35.2 | Very low | 34.3 | Very low | 194 Ų | 194 | 158.3 Ų | 158.3 | 91% | 0.907 | 83% | 0.834 | S | S | * | * | trans | -125.3 | 141.4 | 166.2 | -80.2 | -176.3 | -39 | 0 | 0 | 109.6 | ||||
| 273 | F | 34.2 | Very low | 34 | Very low | 195 Ų | 195 | 153.6 Ų | 153.6 | 86% | 0.855 | 83% | 0.825 | S | S | * | * | trans | -132.1 | 153 | 162.2 | -86 | -94.2 | 0 | 0 | 0 | 107.3 | ||||
| 274 | G | 30.7 | Very low | 34 | Very low | 62 Ų | 62 | 153.9 Ų | 153.9 | 64% | 0.639 | 82% | 0.823 | S | S | * | * | trans | -140 | 177.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 275 | F | 35.5 | Very low | 33.9 | Very low | 196 Ų | 196 | 156.4 Ų | 156.4 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | 178.4 | 137.7 | 148.2 | -106.9 | -74.6 | 0 | 0 | 0 | 111.3 | ||||
| 276 | D | 33.9 | Very low | 33.7 | Very low | 152 Ų | 152 | 156.5 Ų | 156.5 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | 27.2 | 147.4 | 154.8 | -60.1 | -5.2 | 0 | 0 | 0 | 125.1 | ||||
| 277 | G | 34.7 | Very low | 33.7 | Very low | 82 Ų | 82 | 153 Ų | 153 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | -174.4 | 94 | 170 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 278 | N | 34.9 | Very low | 33.8 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -76.5 | 167.7 | -164.6 | -155.6 | -10.4 | 0 | 0 | 0 | 116.9 | ||||
| 279 | R | 31.8 | Very low | 33.7 | Very low | 228 Ų | 228 | 151.7 Ų | 151.7 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | -70.9 | 158.5 | -178.2 | -58.7 | 178.1 | 176.9 | -174.6 | -0.8 | 115.3 | ||||
| 280 | K | 35.1 | Very low | 33.7 | Very low | 208 Ų | 208 | 151.8 Ų | 151.8 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -166.2 | 165.4 | 140.8 | -106.1 | 153.9 | -171.6 | 176.5 | 0 | 112.5 | ||||
| 281 | S | 31.1 | Very low | 34.1 | Very low | 104 Ų | 104 | 152 Ų | 152 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -155.6 | 140 | -169.7 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 282 | Y | 29.7 | Very low | 34 | Very low | 241 Ų | 241 | 152.8 Ų | 152.8 | 95% | 0.945 | 82% | 0.821 | S | S | * | * | trans | -153.5 | 160.4 | 169.1 | -85.4 | -72.6 | 0 | 0 | 0 | 111.5 | ||||
| 283 | A | 32.7 | Very low | 33.9 | Very low | 93 Ų | 93 | 150.2 Ų | 150.2 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -157.2 | 150.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 284 | M | 33.1 | Very low | 33.9 | Very low | 171 Ų | 171 | 146 Ų | 146 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -166.9 | 138 | 164.3 | -87.6 | -138.4 | 172.5 | 0 | 0 | 114 | ||||
| 285 | L | 34.6 | Very low | 34.1 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | 53 | 155.9 | 138.6 | -55.8 | 179.2 | 0 | 0 | 0 | 122.2 | ||||
| 286 | S | 31.6 | Very low | 34.1 | Very low | 90 Ų | 90 | 145.3 Ų | 145.3 | 63% | 0.629 | 82% | 0.818 | S | S | * | * | cis | -174.9 | 171.6 | -26.2 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 287 | N | 32.8 | Very low | 34.2 | Very low | 159 Ų | 159 | 141.3 Ų | 141.3 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | 91.5 | 151.2 | 157.9 | -55 | -12.6 | 0 | 0 | 0 | 120.3 | ||||
| 288 | A | 33.4 | Very low | 34.3 | Very low | 94 Ų | 94 | 144.1 Ų | 144.1 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | trans | -159.2 | 160.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 289 | V | 36.1 | Very low | 34.2 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | trans | -147.6 | 163.7 | 173.1 | -172.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 290 | H | 34.6 | Very low | 34.2 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | -120.9 | 174.1 | -163.7 | -95.3 | -86.3 | 0 | 0 | 0 | 116.7 | ||||
| 291 | P | 44.9 | Very low | 33.9 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | trans | -117.7 | -170.8 | -159.9 | 45.2 | -37.3 | 0 | 0 | 0 | 117.5 | ||||
| 292 | M | 32.7 | Very low | 34.1 | Very low | 189 Ų | 189 | 135 Ų | 135 | 93% | 0.931 | 80% | 0.796 | S | S | * | * | trans | -136.9 | -177.9 | 169 | -64.9 | -156.6 | 80.7 | 0 | 0 | 114.2 | ||||
| 293 | V | 34.2 | Very low | 34.1 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | trans | -141 | 149.9 | -147.5 | 175 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 294 | S | 33.4 | Very low | 34 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | -154 | -154.2 | 154.4 | -152.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 295 | T | 36.1 | Very low | 33.7 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 71% | 0.712 | 79% | 0.79 | S | S | * | * | trans | -153.5 | 164.6 | -140.4 | 41.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 296 | S | 35.9 | Very low | 33.7 | Very low | 127 Ų | 127 | 130.9 Ų | 130.9 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | 77.1 | 167.3 | 169.3 | 79.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 297 | G | 35.7 | Very low | 33.5 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | 153.5 | 163.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 298 | V | 35.4 | Very low | 33.5 | Very low | 141 Ų | 141 | 131 Ų | 131 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | cis | -160.6 | 142.2 | -18.2 | -166.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 299 | A | 33.9 | Very low | 33.2 | Very low | 86 Ų | 86 | 135.1 Ų | 135.1 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 61.9 | 154.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 300 | Q | 32.4 | Very low | 32.6 | Very low | 169 Ų | 169 | 135.7 Ų | 135.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | cis | -163.2 | 132.4 | -20.1 | -106.1 | -176.1 | 12.8 | 0 | 0 | 113.4 | ||||
| 301 | L | 28.2 | Very low | 32.2 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | 64.6 | 178.9 | 138.7 | -54.6 | 174.1 | 0 | 0 | 0 | 120.7 | ||||
| 302 | P | 36 | Very low | 31.2 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 71% | 0.714 | 80% | 0.8 | S | S | * | * | -141.5 | -168.7 | -102.1 | 41.2 | -18.1 | 0 | 0 | 0 | 116.7 | |||||
| 303 | V | 29.1 | Very low | 31 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | 175.2 | 123.6 | 141.1 | 142.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 304 | V | 30.1 | Very low | 30.7 | Very low | 132 Ų | 132 | 133 Ų | 133 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | trans | 68 | 154.8 | 145.8 | -179.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 305 | F | 25.7 | Very low | 30.4 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -104.3 | -166.3 | -165.8 | -74.1 | -91.8 | 0 | 0 | 0 | 113.5 | ||||
| 306 | P | 36.2 | Very low | 29.9 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -144.5 | 175.4 | 5.2 | 44.5 | -24.4 | 0 | 0 | 0 | 120.7 | ||||
| 307 | S | 26.9 | Very low | 29.8 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | 67.8 | 130.8 | 149.4 | -62.8 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 308 | P | 31.7 | Very low | 29.3 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -107.9 | 179.7 | 173.5 | 41.6 | -34.7 | 0 | 0 | 0 | 115.5 | ||||
| 309 | M | 27.1 | Very low | 29 | Very low | 181 Ų | 181 | 139 Ų | 139 | 89% | 0.892 | 79% | 0.785 | S | S | * | * | trans | -121.9 | 153.1 | -172.9 | -169.4 | -179.9 | -165.8 | 0 | 0 | 112.8 | ||||
| 310 | I | 25.2 | Very low | 28.5 | Very low | 160 Ų | 160 | 142 Ų | 142 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | trans | -110 | 140.7 | 177.4 | -62.7 | 173.7 | 0 | 0 | 0 | 110.7 | ||||
| 311 | V | 26 | Very low | 28.2 | Very low | 121 Ų | 121 | 142 Ų | 142 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -124.2 | 144 | 170.9 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | I313 | V311-I313 HydrophobicContact CG1-CG1 4.45Š| ||
| 312 | K | 22.6 | Very low | 28.1 | Very low | 191 Ų | 191 | 142.5 Ų | 142.5 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -128.4 | 131.7 | -176.6 | -174.5 | -179.3 | -176.9 | -179.4 | 0 | 109.3 | ||||
| 313 | I | 29.6 | Very low | 27.6 | Very low | 159 Ų | 159 | 143 Ų | 143 | 82% | 0.815 | 79% | 0.793 | S | S | * | * | trans | -132.5 | 144.4 | 177 | -57.5 | 179.6 | 0 | 0 | 0 | 108 | V311 | V311-I313 HydrophobicContact CG1-CG1 4.45Š| ||
| 314 | S | 27.1 | Very low | 27.5 | Very low | 89 Ų | 89 | 142.6 Ų | 142.6 | 62% | 0.622 | 79% | 0.793 | S | S | * | * | trans | -109.2 | 151.1 | -173.7 | -55.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 315 | D | 26.8 | Very low | 27.3 | Very low | 141 Ų | 141 | 141.4 Ų | 141.4 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 51.9 | 104.8 | 148.7 | -56.6 | -43.6 | 0 | 0 | 0 | 121.3 | ||||
| 316 | S | 26.1 | Very low | 27.2 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | 67.3 | 161 | 119.8 | -65 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 317 | P | 34.2 | Very low | 26.8 | Very low | 105 Ų | 105 | 139 Ų | 139 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | cis | -133.2 | 175.7 | -25.6 | 35 | -16.6 | 0 | 0 | 0 | 114.7 | ||||
| 318 | L | 24.3 | Very low | 26.6 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | 48.1 | 104.5 | 151.4 | -69 | 164.7 | 0 | 0 | 0 | 120.3 | ||||
| 319 | L | 29.4 | Very low | 26.3 | Very low | 169 Ų | 169 | 143 Ų | 143 | 89% | 0.885 | 80% | 0.799 | S | S | * | * | trans | -142.3 | 134.7 | 142.4 | -98.9 | 176.4 | 0 | 0 | 0 | 110.5 | ||||
| 320 | N | 23.2 | Very low | 26.1 | Very low | 150 Ų | 150 | 141.1 Ų | 141.1 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -96.4 | 129.3 | 173.4 | -93.1 | -55.1 | 0 | 0 | 0 | 110.1 | ||||
| 321 | L | 27.3 | Very low | 26.1 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -149.9 | 154.8 | 161.6 | -101.5 | 130.8 | 0 | 0 | 0 | 109.7 | ||||
| 322 | Q | 25.4 | Very low | 26 | Very low | 159 Ų | 159 | 136.8 Ų | 136.8 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -149.1 | 142.9 | -142.5 | 167 | 59.5 | 5.6 | 0 | 0 | 111.4 | ||||
| 323 | V | 24.9 | Very low | 26.3 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 55.8 | 164.5 | -177 | -81.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 324 | P | 26.9 | Very low | 26.1 | Very low | 123 Ų | 123 | 133.7 Ų | 133.7 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | cis | -122.7 | 175.1 | -8.8 | 20.5 | 3.2 | 0 | 0 | 0 | 114.8 | ||||
| 325 | S | 26.3 | Very low | 26.1 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -88.9 | 141.7 | 176.1 | 50.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 326 | T | 24.9 | Very low | 26.3 | Very low | 138 Ų | 138 | 135.8 Ų | 135.8 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | trans | 174.7 | 167.7 | 130.5 | 26.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 327 | S | 26.4 | Very low | 26.4 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | 85.8 | 131.9 | 167.5 | -53.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 328 | H | 23.8 | Very low | 26.2 | Very low | 189 Ų | 189 | 138.2 Ų | 138.2 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | trans | -78.2 | 140.2 | -171.8 | -49 | -105.6 | 0 | 0 | 0 | 113.7 | ||||
| 329 | V | 25.3 | Very low | 26.3 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | -141.5 | 149.1 | 143.9 | -177.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 330 | V | 22.9 | Very low | 26.3 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | trans | -86.1 | 131.1 | -178.8 | 175 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 331 | A | 25.5 | Very low | 26.5 | Very low | 89 Ų | 89 | 131.1 Ų | 131.1 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -152.3 | 126.1 | 153.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 332 | A | 23 | Very low | 26.4 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -86.2 | 119.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 333 | V | 28.8 | Very low | 26.5 | Very low | 117 Ų | 117 | 128 Ų | 128 | 71% | 0.709 | 79% | 0.786 | S | S | * | * | trans | -123.5 | 110.2 | 176.8 | -179.5 | 0 | 0 | 0 | 0 | 108.9 | Q335 | V333-Q335 PolarHBondContact O-N 3.09Š| ||
| 334 | N | 25.9 | Very low | 26.6 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 90% | 0.904 | 78% | 0.783 | S | S | * | * | trans | -81.7 | 96.9 | 177.5 | -82.1 | -37.3 | 0 | 0 | 0 | 110.9 | ||||
| 335 | Q | 26.5 | Very low | 26.8 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | trans | -135 | 124.9 | 158.4 | -71.1 | -168.1 | 3 | 0 | 0 | 109.9 | V333 | V333-Q335 PolarHBondContact O-N 3.09Š| ||
| 336 | P | 30.6 | Very low | 26.8 | Very low | 118 Ų | 118 | 126 Ų | 126 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -76.9 | 119.7 | 163.9 | 30.8 | -29.9 | 0 | 0 | 0 | 109.3 | ||||
| 337 | V | 28.2 | Very low | 26.8 | Very low | 113 Ų | 113 | 124 Ų | 124 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | -95.7 | 98.4 | 170.3 | 179.7 | 0 | 0 | 0 | 0 | 108.1 | T339 | V337-T339 VanDerWaalsContact C-N 3.3Å; V337-T339 PolarHBondContact O-N 3.22Å; V337-T339 PolarHBondContact O-OG1 3.49Å | ||
| 338 | D | 29.9 | Very low | 26.8 | Very low | 153 Ų | 153 | 124.5 Ų | 124.5 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -67.2 | 88.1 | 175.6 | -83.8 | -43.6 | 0 | 0 | 0 | 110.9 | A340 | D338-A340 VanDerWaalsContact C-N 3.26Å; D338-A340 PolarHBondContact O-N 3.03Å | ||
| 339 | T | 27.5 | Very low | 26.8 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -78.1 | 78.7 | 173.8 | -53.3 | 0 | 0 | 0 | 0 | 108.8 | V337 V341 | V337-T339 VanDerWaalsContact C-N 3.3Å; V337-T339 PolarHBondContact O-N 3.22Å; V337-T339 PolarHBondContact O-OG1 3.49Å; T339-V341 PolarHBondContact O-N 3.03Å | ||
| 340 | A | 28.2 | Very low | 26.7 | Very low | 95 Ų | 95 | 119.2 Ų | 119.2 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -66.4 | 93.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111 | D338 G342 | D338-A340 VanDerWaalsContact C-N 3.26Å; D338-A340 PolarHBondContact O-N 3.03Å; A340-G342 PolarHBondContact O-N 3.43Å | ||
| 341 | V | 28.2 | Very low | 26.8 | Very low | 120 Ų | 120 | 119 Ų | 119 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 117.6 | 170.2 | 178 | 0 | 0 | 0 | 0 | 108.5 | T339 F343 | T339-V341 PolarHBondContact O-N 3.03Å; V341-F343 PolarHBondContact O-N 2.89Å |
| 342 | G | 24.8 | Very low | 26.6 | Very low | 71 Ų | 71 | 119 Ų | 119 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 120.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A340 | A340-G342 PolarHBondContact O-N 3.43Š|
| 343 | F | 28.9 | Very low | 26.6 | Very low | 191 Ų | 191 | 119.8 Ų | 119.8 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 130.1 | 162.1 | -71 | -87.1 | 0 | 0 | 0 | 109.5 | V341 | V341-F343 PolarHBondContact O-N 2.89Š|
| 344 | S | 26.5 | Very low | 26.4 | Very low | 94 Ų | 94 | 120.3 Ų | 120.3 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 145.2 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | G346 | S344-G346 PolarHBondContact O-N 3.11Š|
| 345 | P | 29.8 | Very low | 26.3 | Very low | 139 Ų | 139 | 122.4 Ų | 122.4 | 90% | 0.903 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 126.3 | 174.5 | 26.1 | -33.9 | 0 | 0 | 0 | 110.3 | ||
| 346 | G | 26.5 | Very low | 26.4 | Very low | 75 Ų | 75 | 121.1 Ų | 121.1 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 130.8 | -12.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | S344 S348 | S344-G346 PolarHBondContact O-N 3.11Å; G346-S348 PolarHBondContact O-N 3.3Å |
| 347 | C | 26.6 | Very low | 26.3 | Very low | 96 Ų | 96 | 120.5 Ų | 120.5 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | trans | -85.3 | 103.5 | 178.2 | -69.7 | 0 | 0 | 0 | 0 | 113 | V349 | C347-V349 PolarHBondContact O-N 2.7Š| ||
| 348 | S | 24.8 | Very low | 26.5 | Very low | 127 Ų | 127 | 123.1 Ų | 123.1 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -69.8 | 111.3 | 172.5 | -53.2 | 0 | 0 | 0 | 0 | 112.1 | G346 | G346-S348 PolarHBondContact O-N 3.3Š| ||
| 349 | V | 25.1 | Very low | 26.5 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 75% | 0.745 | 79% | 0.789 | S | S | * | * | trans | -106.9 | 115.4 | 173.5 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | C347 | C347-V349 PolarHBondContact O-N 2.7Š| ||
| 350 | A | 22.7 | Very low | 26.7 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -90.3 | 117 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 351 | V | 24.4 | Very low | 27.1 | Very low | 136 Ų | 136 | 124.7 Ų | 124.7 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -95.5 | 109.9 | 175.4 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | S353 | V351-S353 PolarHBondContact O-N 3.47Š| ||
| 352 | A | 22.3 | Very low | 27.3 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | trans | -82.3 | 111.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V354 | A352-V354 PolarHBondContact O-N 3.09Š| ||
| 353 | S | 23.2 | Very low | 27.6 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 81% | 0.811 | 80% | 0.798 | S | S | * | * | trans | -78.1 | 107 | 172.4 | -173 | 0 | 0 | 0 | 0 | 110.7 | V351 | V351-S353 PolarHBondContact O-N 3.47Š| ||
| 354 | V | 24 | Very low | 27.5 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 116.1 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | A352 | A352-V354 PolarHBondContact O-N 3.09Š|
| 355 | R | 23.5 | Very low | 27.8 | Very low | 213 Ų | 213 | 130.6 Ų | 130.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 130 | 168.4 | -70.2 | -178.8 | 178 | 166.3 | -0.1 | 109.6 | S357 | R355-S357 PolarHBondContact O-N 3.09Š|
| 356 | P | 28.5 | Very low | 27.8 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 125.9 | 167.5 | 28.9 | -32.3 | 0 | 0 | 0 | 109.2 | ||
| 357 | S | 29.5 | Very low | 28 | Very low | 105 Ų | 105 | 135 Ų | 135 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -140.3 | 117.4 | 178.8 | -68.5 | 0 | 0 | 0 | 0 | 109.6 | R355 | R355-S357 PolarHBondContact O-N 3.09Š| ||
| 358 | N | 30.8 | Very low | 28.3 | Very low | 168 Ų | 168 | 140.1 Ų | 140.1 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | 40.1 | 101.8 | 175.8 | -81.7 | -11.5 | 0 | 0 | 0 | 117.5 | G360 | N358-G360 PolarHBondContact O-N 2.84Š| ||
| 359 | I | 31.1 | Very low | 28.5 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 90% | 0.897 | 82% | 0.822 | S | S | * | * | trans | -70.8 | 99.5 | 162 | -62.2 | 174.9 | 0 | 0 | 0 | 108.6 | ||||
| 360 | G | 31.6 | Very low | 28.8 | Very low | 67 Ų | 67 | 141.6 Ų | 141.6 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | trans | -85.7 | 139.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111 | N358 | N358-G360 PolarHBondContact O-N 2.84Š| ||
| 361 | N | 35.7 | Very low | 29.2 | Very low | 153 Ų | 153 | 141.9 Ų | 141.9 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -69.9 | 146.3 | -173.4 | -93.9 | -19 | 0 | 0 | 0 | 114.4 | ||||
| 362 | C | 32.2 | Very low | 29.6 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | 64.7 | 105.6 | 156.2 | -64.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 363 | G | 30.9 | Very low | 30 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 82% | 0.822 | S | S | * | * | trans | -179.4 | 109.5 | 160 | 0 | 0 | 0 | 0 | 0 | 114 | V365 | G363-V365 PolarHBondContact O-N 2.97Š| ||
| 364 | R | 28.1 | Very low | 30.5 | Very low | 259 Ų | 259 | 148.5 Ų | 148.5 | 98% | 0.977 | 83% | 0.826 | S | S | * | * | trans | -70.6 | 121.2 | 168.9 | -83.4 | -175.3 | 173.1 | -173.1 | -1.4 | 109.8 | ||||
| 365 | V | 31.5 | Very low | 31 | Very low | 139 Ų | 139 | 153.8 Ų | 153.8 | 84% | 0.842 | 83% | 0.832 | S | S | * | * | trans | -132.7 | 132.2 | 162.7 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | G363 | G363-V365 PolarHBondContact O-N 2.97Š| ||
| 366 | Q | 30.9 | Very low | 31.6 | Very low | 175 Ų | 175 | 149 Ų | 149 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -77.8 | 151.2 | 178.1 | -69.2 | -174.8 | 0.4 | 0 | 0 | 111.3 | K368 | Q366-K368 PolarHBondContact O-N 3.18Å; Q366-K368 VanDerWaalsContact O-N 3.09Å | ||
| 367 | P | 30.8 | Very low | 31.9 | Very low | 132 Ų | 132 | 149 Ų | 149 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | trans | -66.7 | 109.5 | 176.2 | 27.8 | -34.5 | 0 | 0 | 0 | 110.9 | ||||
| 368 | K | 32.3 | Very low | 32.1 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 88% | 0.883 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 129.5 | 166.1 | -92.7 | -176.2 | 173.3 | 179 | 0 | 109.8 | Q366 I370 | Q366-K368 PolarHBondContact O-N 3.18Å; Q366-K368 VanDerWaalsContact O-N 3.09Å; K368-I370 PolarHBondContact O-N 3.25Å |
| 369 | S | 30.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 127.7 | 176.8 | 53 | 0 | 0 | 0 | 0 | 112.3 | ||
| 370 | I | 30.7 | Very low | 32 | Very low | 162 Ų | 162 | 148.3 Ų | 148.3 | 83% | 0.831 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 118.9 | 165.4 | -63.7 | 177.7 | 0 | 0 | 0 | 108.2 | K368 | K368-I370 PolarHBondContact O-N 3.25Š|
| 371 | S | 31.4 | Very low | 32.1 | Very low | 109 Ų | 109 | 150.7 Ų | 150.7 | 76% | 0.762 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 119.5 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 111.6 | ||
| 372 | I | 32.1 | Very low | 31.7 | Very low | 151 Ų | 151 | 151.3 Ų | 151.3 | 77% | 0.774 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 123.8 | 171.9 | -57.7 | 174.3 | 0 | 0 | 0 | 109.1 | K374 | I372-K374 PolarHBondContact O-N 3.23Š|
| 373 | P | 31.5 | Very low | 31.7 | Very low | 121 Ų | 121 | 150.2 Ų | 150.2 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 117.7 | 176.4 | 29.4 | -33 | 0 | 0 | 0 | 110.9 | R375 | P373-R375 PolarHBondContact O-N 2.91Š|
| 374 | K | 33.7 | Very low | 31.7 | Very low | 207 Ų | 207 | 155.3 Ų | 155.3 | 90% | 0.9 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 123.5 | 170.6 | -66.1 | -179.2 | 179 | 179.8 | 0 | 109.9 | I372 | I372-K374 PolarHBondContact O-N 3.23Š|
| 375 | R | 34.5 | Very low | 31.8 | Very low | 240 Ų | 240 | 146.7 Ų | 146.7 | 91% | 0.906 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 143.7 | 155.1 | -91.7 | -172 | 173.6 | -176.8 | -1.2 | 109.5 | P373 | P373-R375 PolarHBondContact O-N 2.91Š|
| 376 | P | 36.3 | Very low | 31.6 | Very low | 113 Ų | 113 | 147.5 Ų | 147.5 | 73% | 0.734 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 155.1 | 177.4 | 32.6 | -35.2 | 0 | 0 | 0 | 111.6 | ||
| 377 | P | 34.1 | Very low | 31.3 | Very low | 129 Ų | 129 | 145.7 Ų | 145.7 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 127.2 | 171.8 | 31.3 | -32.5 | 0 | 0 | 0 | 110.4 | ||
| 378 | A | 34 | Very low | 31.1 | Very low | 101 Ų | 101 | 145.5 Ų | 145.5 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 127.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 379 | Q | 30.1 | Very low | 30.9 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 140.8 | 168.2 | -63.9 | 170.5 | -45.5 | 0 | 0 | 109.5 | ||
| 380 | C | 29.3 | Very low | 30.9 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | trans | -143.5 | 129.9 | 152.6 | -99 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 381 | S | 33.4 | Very low | 30.7 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -91.5 | 161.7 | -178.5 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 382 | N | 28 | Very low | 30.8 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | -56.1 | 131.7 | 177.6 | -57.4 | -29.7 | 0 | 0 | 0 | 113.4 | ||||
| 383 | S | 33 | Very low | 31 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | trans | -165.7 | 111 | 139.9 | 57.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 384 | I | 30.1 | Very low | 31.1 | Very low | 179 Ų | 179 | 139.9 Ų | 139.9 | 92% | 0.918 | 84% | 0.836 | S | S | * | * | trans | 13.4 | 120.5 | 135.2 | -52.6 | 163.5 | 0 | 0 | 0 | 116 | ||||
| 385 | G | 29.9 | Very low | 31.3 | Very low | 77 Ų | 77 | 133.4 Ų | 133.4 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | -175.3 | 105.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 386 | L | 27.6 | Very low | 31.5 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | trans | -57.2 | 139.2 | -178.3 | -71.4 | 153.3 | 0 | 0 | 0 | 116.9 | ||||
| 387 | I | 25 | Very low | 31.7 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | 54.4 | 113.9 | 126.3 | -62.6 | -178.5 | 0 | 0 | 0 | 120.2 | |||||
| 388 | V | 25.1 | Very low | 32 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 49.7 | 118.4 | 135.8 | -176.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 389 | S | 28.9 | Very low | 32.3 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | -165.4 | 163.3 | 121.2 | -85.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 390 | A | 29.8 | Very low | 33 | Very low | 94 Ų | 94 | 129.1 Ų | 129.1 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | trans | -81.5 | 159.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 391 | A | 26.4 | Very low | 33.6 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 87% | 0.868 | 77% | 0.768 | S | S | * | * | trans | -87 | 137.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 392 | T | 35 | Very low | 34 | Very low | 140 Ų | 140 | 131.5 Ų | 131.5 | 86% | 0.859 | 77% | 0.765 | S | S | * | * | trans | -122.5 | 141.3 | 172.6 | 46.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 393 | A | 34.6 | Very low | 34.6 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -58.1 | 156.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 394 | Q | 35.4 | Very low | 34.8 | Very low | 194 Ų | 194 | 132.7 Ų | 132.7 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | -179.7 | 159.7 | 127.3 | -95.5 | 165.9 | 18.8 | 0 | 0 | 108.6 | |||||
| 395 | A | 36.1 | Very low | 35.4 | Very low | 70 Ų | 70 | 129.1 Ų | 129.1 | 58% | 0.579 | 75% | 0.748 | S | S | * | * | cis | -170.7 | 179.2 | -32.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 396 | E | 39.9 | Very low | 35.8 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | trans | 67.9 | 142.6 | 152.1 | -78.5 | 160.7 | 179.1 | 0 | 0 | 119 | ||||
| 397 | E | 39.7 | Very low | 36.2 | Very low | 144 Ų | 144 | 136.6 Ų | 136.6 | 67% | 0.673 | 75% | 0.75 | S | S | * | * | cis | -164 | 165.6 | -12.8 | -143.2 | -164.4 | 150.8 | 0 | 0 | 112.1 | ||||
| 398 | L | 40.8 | Very low | 36.8 | Very low | 128 Ų | 128 | 135 Ų | 135 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | trans | 64.3 | 143.6 | 157.7 | -59.8 | -176.6 | 0 | 0 | 0 | 118.1 | ||||
| 399 | N | 40.1 | Very low | 37.4 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | cis | -167.3 | -176.6 | -1.5 | -134.6 | -13.3 | 0 | 0 | 0 | 109.1 | ||||
| 400 | H | 45.2 | Very low | 37.9 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 56% | 0.56 | 75% | 0.751 | S | S | * | * | cis | -164.4 | 165 | -6.9 | -152.8 | 22.5 | 0 | 0 | 0 | 110.3 | ||||
| 401 | K | 41.6 | Very low | 38.2 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | 58.2 | 143.6 | 154.1 | -73.8 | 169.9 | -171.2 | -39.1 | 0 | 121 | ||||
| 402 | L | 41.3 | Very low | 38.7 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | cis | -161.3 | -166.6 | -23.1 | -142.3 | 74.1 | 0 | 0 | 0 | 109.6 | ||||
| 403 | P | 41.8 | Very low | 38.7 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 73% | 0.73 | S | S | * | * | -128.1 | 168.7 | -111.7 | 45.6 | -29.4 | 0 | 0 | 0 | 120.2 | |||||
| 404 | K | 36.4 | Very low | 38.7 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | trans | 14.5 | 158.8 | 133.8 | -63.7 | -175.7 | -179.4 | 180 | 0 | 120.9 | ||||
| 405 | P | 43.2 | Very low | 38.6 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 68% | 0.675 | 72% | 0.72 | S | S | * | * | cis | -154.8 | 177.5 | 37 | 45.1 | -23.5 | 0 | 0 | 0 | 122.1 | ||||
| 406 | Q | 37.2 | Very low | 38.3 | Very low | 169 Ų | 169 | 139.5 Ų | 139.5 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | 59 | 121.8 | 143.9 | -78.6 | 164.1 | -38.5 | 0 | 0 | 124 | ||||
| 407 | Y | 36.8 | Very low | 38.1 | Very low | 220 Ų | 220 | 142.6 Ų | 142.6 | 86% | 0.863 | 74% | 0.737 | S | S | * | * | -158.8 | 176.5 | 92.1 | -129.6 | -97.8 | 0 | 0 | 0 | 112.9 | |||||
| 408 | S | 37 | Very low | 38 | Very low | 106 Ų | 106 | 141.8 Ų | 141.8 | 74% | 0.741 | 74% | 0.744 | S | S | * | * | trans | -104.9 | 170.7 | -171.7 | 49.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 409 | G | 38.7 | Very low | 37.5 | Very low | 67 Ų | 67 | 144 Ų | 144 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | cis | 169 | -168.5 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 410 | S | 39.5 | Very low | 37.3 | Very low | 129 Ų | 129 | 146.3 Ų | 146.3 | 90% | 0.902 | 76% | 0.764 | S | S | * | * | trans | 66.8 | 145.6 | 177.1 | -78.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 411 | S | 36.4 | Very low | 37 | Very low | 108 Ų | 108 | 145.9 Ų | 145.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -156.9 | 159.1 | -14.1 | -165.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 412 | A | 36.6 | Very low | 36.9 | Very low | 80 Ų | 80 | 148 Ų | 148 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | trans | 24.2 | 144.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 413 | E | 33.6 | Very low | 36.5 | Very low | 137 Ų | 137 | 149.8 Ų | 149.8 | 64% | 0.64 | 79% | 0.786 | S | S | * | * | cis | -167.8 | 151 | -7.8 | -116.4 | -177.1 | 110.8 | 0 | 0 | 110.7 | ||||
| 414 | R | 35.8 | Very low | 36.2 | Very low | 199 Ų | 199 | 156.6 Ų | 156.6 | 75% | 0.751 | 80% | 0.798 | S | S | * | * | trans | 57.5 | 142 | 154.9 | -60.9 | 178.8 | -153.2 | -165.7 | 9.8 | 120 | ||||
| 415 | Q | 34.1 | Very low | 36 | Very low | 159 Ų | 159 | 153.1 Ų | 153.1 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | cis | -167.1 | 151.5 | -23.5 | -123.3 | 168.9 | 7.5 | 0 | 0 | 109 | ||||
| 416 | L | 29 | Very low | 35.5 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | 56.4 | 101 | 156 | -58.3 | 170.1 | 0 | 0 | 0 | 120.1 | ||||
| 417 | R | 35.7 | Very low | 35.3 | Very low | 242 Ų | 242 | 150.7 Ų | 150.7 | 91% | 0.913 | 80% | 0.801 | S | S | * | * | trans | -154.4 | 134.6 | 136.7 | -105.6 | 178.4 | -158.1 | -163 | 5.7 | 110.6 | ||||
| 418 | P | 37.1 | Very low | 35.1 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 154.9 | 173.9 | -21.6 | 34.3 | 0 | 0 | 0 | 113.3 | M420 | P418-M420 PolarHBondContact O-N 3.45Š|
| 419 | L | 31.5 | Very low | 34.9 | Very low | 176 Ų | 176 | 146.9 Ų | 146.9 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 117.7 | -178.5 | -66 | 167.8 | 0 | 0 | 0 | 111.9 | ||
| 420 | M | 35.9 | Very low | 34.7 | Very low | 167 Ų | 167 | 152.9 Ų | 152.9 | 82% | 0.823 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 139.5 | 168.8 | -67.4 | -99.2 | 66.6 | 0 | 0 | 110.5 | P418 | P418-M420 PolarHBondContact O-N 3.45Š|
| 421 | P | 37.2 | Very low | 34.1 | Very low | 112 Ų | 112 | 151.7 Ų | 151.7 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 149.4 | 169.1 | -21.6 | 33.9 | 0 | 0 | 0 | 112 | ||
| 422 | K | 40.1 | Very low | 33.8 | Very low | 202 Ų | 202 | 150 Ų | 150 | 88% | 0.878 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 144.3 | -178.6 | -72.2 | -176 | 174.5 | -175.9 | 0 | 113 | ||
| 423 | E | 32.4 | Very low | 33.2 | Very low | 183 Ų | 183 | 156.8 Ų | 156.8 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 148.2 | 171.7 | -65.7 | 168.4 | 98.3 | 0 | 0 | 113.1 | ||
| 424 | R | 35.5 | Very low | 32.7 | Very low | 245 Ų | 245 | 160.2 Ų | 160.2 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -139.8 | 96.1 | 163.1 | -84.3 | -174 | 169.5 | -179.4 | -3.1 | 109.4 | ||||
| 425 | T | 33.8 | Very low | 32.1 | Very low | 126 Ų | 126 | 156.8 Ų | 156.8 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -89.7 | 162 | 157.6 | 47.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 426 | P | 31.9 | Very low | 31.6 | Very low | 124 Ų | 124 | 157 Ų | 157 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | -120.4 | 176.8 | -54.9 | 36.6 | -25.5 | 0 | 0 | 0 | 110.6 | |||||
| 427 | A | 31.9 | Very low | 31.3 | Very low | 98 Ų | 98 | 154.3 Ų | 154.3 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -135.2 | 120 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 428 | S | 33.4 | Very low | 30.7 | Very low | 105 Ų | 105 | 150.2 Ų | 150.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -72 | 132.4 | -179.4 | 50 | 0 | 0 | 0 | 0 | 111.9 | K430 | S428-K430 PolarHBondContact O-N 3.48Š| ||
| 429 | T | 33.5 | Very low | 30 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 86% | 0.859 | 79% | 0.789 | S | S | * | * | trans | -68.6 | 114.6 | 170.5 | 30.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 430 | K | 34 | Very low | 29.7 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 137.9 | -176.6 | -63.3 | -163.7 | 174 | -158 | 0 | 111.6 | S428 | S428-K430 PolarHBondContact O-N 3.48Š|
| 431 | S | 27.4 | Very low | 29.1 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 146.8 | 177.5 | -152.2 | 0 | 0 | 0 | 0 | 112.3 | R433 | S431-R433 PolarHBondContact O-N 2.83Š|
| 432 | P | 29.1 | Very low | 28.6 | Very low | 73 Ų | 73 | 144 Ų | 144 | 47% | 0.474 | 77% | 0.767 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 129.3 | -177 | 26.4 | -35.3 | 0 | 0 | 0 | 112.3 | ||
| 433 | R | 23.5 | Very low | 28.1 | Very low | 222 Ų | 222 | 140.4 Ų | 140.4 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 121.8 | 172.5 | -78.7 | -176.6 | 163.2 | -171.3 | -8.8 | 111.2 | S431 | S431-R433 PolarHBondContact O-N 2.83Š|
| 434 | Y | 24.5 | Very low | 28.1 | Very low | 210 Ų | 210 | 137.8 Ų | 137.8 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 142.1 | 161.3 | -63 | -78.5 | 0 | 0 | 0 | 109.9 | ||
| 435 | V | 23 | Very low | 27.9 | Very low | 127 Ų | 127 | 130 Ų | 130 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | trans | -127.2 | 114.9 | 178.3 | 179 | 0 | 0 | 0 | 0 | 108.7 | A437 | V435-A437 PolarHBondContact O-N 3.34Å; V435-A437 VanDerWaalsContact O-N 3.15Å | ||
| 436 | Y | 23.2 | Very low | 27.7 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | trans | -70.2 | 106.6 | 170.6 | -77.4 | -79 | 0 | 0 | 0 | 109.9 | Y438 Y552 | Y436-Y438 PolarHBondContact O-N 2.92Å; Y436-Y438 VanDerWaalsContact O-N 3.11Å; Y436-Y552 PolarHBondContact OH-OH 3Å | ||
| 437 | A | 22.5 | Very low | 27.4 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | -79.3 | 89.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V435 | V435-A437 PolarHBondContact O-N 3.34Å; V435-A437 VanDerWaalsContact O-N 3.15Å | ||
| 438 | Y | 23.2 | Very low | 27.2 | Very low | 157 Ų | 157 | 133.3 Ų | 133.3 | 62% | 0.616 | 75% | 0.748 | S | S | * | * | trans | -76.3 | 126.5 | 164.7 | -64.1 | -79.6 | 0 | 0 | 0 | 109.9 | Y436 L440 I476 | Y436-Y438 PolarHBondContact O-N 2.92Å; Y436-Y438 VanDerWaalsContact O-N 3.11Å; Y438-L440 PolarHBondContact O-N 3.23Å; Y438-I476 HydrophobicContact CD2-CG2 4.3Å; Y438-I476 HydrophobicContact CE2-CG2 4.4Å | ||
| 439 | A | 22.9 | Very low | 26.7 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 90% | 0.901 | 76% | 0.755 | S | S | * | * | trans | -75.1 | 85 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G441 | A439-G441 PolarHBondContact O-N 3.13Š| ||
| 440 | L | 24.8 | Very low | 26.3 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 60% | 0.602 | 75% | 0.752 | S | S | * | * | trans | -71.5 | 92.8 | 168.7 | -74.2 | 172.2 | 0 | 0 | 0 | 110.1 | Y438 E442 I476 | Y438-L440 PolarHBondContact O-N 3.23Å; L440-E442 PolarHBondContact O-N 2.92Å; L440-I476 HydrophobicContact CD1-CD1 4.39Å; L440-I476 HydrophobicContact CD2-CD1 4.21Å | ||
| 441 | G | 23.3 | Very low | 26 | Very low | 63 Ų | 63 | 137.5 Ų | 137.5 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | trans | -76.2 | 111.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | A439 T443 | A439-G441 PolarHBondContact O-N 3.13Å; G441-T443 PolarHBondContact O-N 3.36Å | ||
| 442 | E | 26.9 | Very low | 25.9 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | -66 | 95.9 | 169.8 | -70.7 | -168.2 | 166.9 | 0 | 0 | 110.9 | L440 N444 | L440-E442 PolarHBondContact O-N 2.92Å; E442-N444 PolarHBondContact O-N 3.11Å; E442-N444 PolarHBondContact OE2-ND2 3.45Å; E442-N444 VanDerWaalsContact OE2-ND2 3.09Å | ||
| 443 | T | 28.8 | Very low | 25.7 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -74.5 | 78.3 | 172 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | G441 G445 | G441-T443 PolarHBondContact O-N 3.36Å; T443-G445 PolarHBondContact O-N 2.97Å | ||
| 444 | N | 32.8 | Very low | 25.9 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | -69.2 | 69.5 | -179.1 | -85.5 | -55.7 | 0 | 0 | 0 | 113.1 | E442 Q446 | E442-N444 PolarHBondContact O-N 3.11Å; E442-N444 PolarHBondContact OE2-ND2 3.45Å; E442-N444 VanDerWaalsContact OE2-ND2 3.09Å; N444-Q446 PolarHBondContact O-N 3.22Å | ||
| 445 | G | 31.8 | Very low | 26.1 | Very low | 83 Ų | 83 | 131.4 Ų | 131.4 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 67.4 | -7.3 | 157.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | T443 | T443-G445 PolarHBondContact O-N 2.97Š|
| 446 | Q | 29.7 | Very low | 26.3 | Very low | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -125.8 | 125.7 | -177.3 | -64.6 | -166.3 | 1.9 | 0 | 0 | 112.5 | N444 A448 | N444-Q446 PolarHBondContact O-N 3.22Å; Q446-A448 PolarHBondContact O-N 2.89Å |
| 447 | N | 25.8 | Very low | 26.4 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -25.5 | 75.5 | 175.4 | -68 | -46.2 | 0 | 0 | 0 | 117.6 | R449 | N447-R449 PolarHBondContact O-N 2.67Š| ||
| 448 | A | 26.5 | Very low | 26.6 | Very low | 73 Ų | 73 | 134 Ų | 134 | 60% | 0.603 | 77% | 0.768 | S | S | * | * | trans | -70.4 | 84.9 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q446 F450 | Q446-A448 PolarHBondContact O-N 2.89Å; A448-F450 PolarHBondContact O-N 3.05Å | ||
| 449 | R | 23.9 | Very low | 26.8 | Very low | 235 Ų | 235 | 133.9 Ų | 133.9 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | trans | -61.2 | 100.6 | 164.1 | -86.9 | -175.7 | 169.7 | 178.9 | -3 | 107.9 | N447 S451 | N447-R449 PolarHBondContact O-N 2.67Å; R449-S451 PolarHBondContact O-N 3.28Å | ||
| 450 | F | 25.5 | Very low | 27 | Very low | 182 Ų | 182 | 135.8 Ų | 135.8 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | trans | -58.4 | 109.7 | 158.9 | -72.7 | -80.9 | 0 | 0 | 0 | 107.4 | A448 N452 | A448-F450 PolarHBondContact O-N 3.05Å; F450-N452 PolarHBondContact O-N 3.29Å | ||
| 451 | S | 26.9 | Very low | 27.2 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -74.3 | 113.6 | 178.4 | 38.8 | 0 | 0 | 0 | 0 | 108.3 | R449 G453 | R449-S451 PolarHBondContact O-N 3.28Å; S451-G453 PolarHBondContact O-N 2.92Å | ||
| 452 | N | 25.3 | Very low | 27.4 | Very low | 172 Ų | 172 | 140.8 Ų | 140.8 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | trans | -59.5 | 107.3 | -179.5 | -74.6 | -23.7 | 0 | 0 | 0 | 110.6 | F450 | F450-N452 PolarHBondContact O-N 3.29Š| ||
| 453 | G | 25.5 | Very low | 27.3 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 171.6 | 94.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S451 | S451-G453 PolarHBondContact O-N 2.92Š| ||
| 454 | A | 27.9 | Very low | 27.2 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | S | Bend | cis | -135.1 | 128.3 | 6.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 455 | V | 27.3 | Very low | 27 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 83% | 0.83 | 81% | 0.806 | S | S | * | * | trans | -119.1 | 123.9 | 153.7 | 171.3 | 0 | 0 | 0 | 0 | 103.9 | ||||
| 456 | P | 27.8 | Very low | 26.8 | Very low | 96 Ų | 96 | 144.9 Ų | 144.9 | 62% | 0.623 | 81% | 0.805 | S | S | * | * | -158.7 | 79 | 110.9 | 39.1 | -17.3 | 0 | 0 | 0 | 115.6 | |||||
| 457 | Y | 25 | Very low | 26.7 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -143.6 | 61.7 | 160.4 | -77.7 | -60.7 | 0 | 0 | 0 | 113.5 | F566 | Y457-F566 HydrophobicContact CE2-CZ 4.5Š|
| 458 | L | 27.9 | Very low | 27 | Very low | 152 Ų | 152 | 139.5 Ų | 139.5 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -157.7 | 34.6 | 151.3 | -116.4 | 171.7 | 0 | 0 | 0 | 112.6 | N460 | L458-N460 VanDerWaalsContact C-N 3.34Å; L458-N460 PolarHBondContact O-N 3.06Å | ||
| 459 | N | 26.2 | Very low | 27.3 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | 79.5 | 174.9 | -166.5 | 37.5 | 0 | 0 | 0 | 109.9 | ||
| 460 | N | 26.7 | Very low | 27.8 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -171 | 22.6 | 158.4 | -101.1 | -7.3 | 0 | 0 | 0 | 116.3 | L458 | L458-N460 VanDerWaalsContact C-N 3.34Å; L458-N460 PolarHBondContact O-N 3.06Å |
| 461 | H | 30.1 | Very low | 28.6 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | -125.2 | 99.3 | 154.5 | -83.1 | -66 | 0 | 0 | 0 | 109.9 | N463 | H461-N463 PolarHBondContact O-N 2.95Š| ||
| 462 | A | 26.7 | Very low | 29.2 | Very low | 107 Ų | 107 | 129 Ų | 129 | 88% | 0.884 | 75% | 0.751 | S | S | * | * | trans | -76.6 | 59.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 463 | N | 26.2 | Very low | 30 | Very low | 147 Ų | 147 | 125.6 Ų | 125.6 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | trans | -124.1 | 73.6 | 164.1 | -87.6 | -26.5 | 0 | 0 | 0 | 107.7 | H461 L465 | H461-N463 PolarHBondContact O-N 2.95Å; N463-L465 PolarHBondContact O-N 2.92Å | ||
| 464 | A | 26.5 | Very low | 31.2 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | trans | -67.3 | 95 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q466 | A464-Q466 PolarHBondContact O-N 2.85Š| ||
| 465 | L | 28.4 | Very low | 32 | Very low | 160 Ų | 160 | 122.9 Ų | 122.9 | 84% | 0.838 | 70% | 0.698 | S | S | * | * | trans | -56.9 | 111.5 | 175.3 | -77 | 170.2 | 0 | 0 | 0 | 109.2 | N463 C467 | N463-L465 PolarHBondContact O-N 2.92Å; L465-C467 PolarHBondContact O-N 3.21Å | ||
| 466 | Q | 26.9 | Very low | 32.6 | Very low | 179 Ų | 179 | 118.1 Ų | 118.1 | 84% | 0.836 | 67% | 0.667 | S | S | * | * | trans | -67.8 | 102.4 | -177 | -171.9 | 174.4 | 10.9 | 0 | 0 | 109.2 | A464 V468 | A464-Q466 PolarHBondContact O-N 2.85Å; Q466-V468 PolarHBondContact O-N 2.93Å | ||
| 467 | C | 27.4 | Very low | 33.2 | Very low | 122 Ų | 122 | 116.6 Ų | 116.6 | 82% | 0.824 | 66% | 0.659 | S | S | * | * | trans | -64.6 | 95.3 | 179.8 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | L465 | L465-C467 PolarHBondContact O-N 3.21Š| ||
| 468 | V | 32.5 | Very low | 34.7 | Very low | 108 Ų | 108 | 115.3 Ų | 115.3 | 66% | 0.655 | 65% | 0.653 | S | S | * | * | trans | -68.7 | 125.7 | 172.3 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | Q466 V470 | Q466-V468 PolarHBondContact O-N 2.93Å; V468-V470 WeakPolarHBondContact O-CG2 3.4Å; V468-V470 PolarHBondContact O-N 3.5Å | ||
| 469 | P | 33.7 | Very low | 35.9 | Very low | 99 Ų | 99 | 112.7 Ų | 112.7 | 64% | 0.643 | 64% | 0.636 | S | S | * | * | trans | -68.5 | 116.2 | 177 | 26.9 | -33.1 | 0 | 0 | 0 | 110.4 | N471 | P469-N471 PolarHBondContact O-N 3.22Š| ||
| 470 | V | 32.4 | Very low | 36.6 | Very low | 41 Ų | 41 | 107 Ų | 107 | 25% | 0.248 | 61% | 0.61 | C | S | . | * | trans | -92.4 | 103.1 | -176.3 | -168.6 | 0 | 0 | 0 | 0 | 109.5 | V468 N472 D475 I476 | V468-V470 WeakPolarHBondContact O-CG2 3.4Å; V468-V470 PolarHBondContact O-N 3.5Å; V470-N472 VanDerWaalsContact C-N 3.31Å; V470-N472 PolarHBondContact O-N 3.47Å; V470-D475 HydrophobicContact CG1-CB 3.46Å; V470-D475 VanDerWaalsContact CG1-CB 3.46Å; V470-I476 HydrophobicContact CB-CG1 4.05Å; V470-I476 HydrophobicContact CG1-CG1 3.55Å | ||
| 471 | N | 43.6 | Very low | 38.3 | Very low | 154 Ų | 154 | 102.3 Ų | 102.3 | 82% | 0.824 | 59% | 0.588 | S | S | * | * | trans | -83.4 | 3.5 | -168.2 | -61.9 | -54.9 | 0 | 0 | 0 | 115 | P469 | P469-N471 PolarHBondContact O-N 3.22Š| ||
| 472 | N | 38.3 | Very low | 40 | Very low | 87 Ų | 87 | 99.1 Ų | 99.1 | 47% | 0.465 | 57% | 0.573 | S | S | . | * | trans | -149.9 | 139.2 | -175.4 | -172.7 | -4.8 | 0 | 0 | 0 | 111.3 | V470 A474 D475 I476 | V470-N472 VanDerWaalsContact C-N 3.31Å; V470-N472 PolarHBondContact O-N 3.47Å; N472-A474 PolarHBondContact O-N 2.91Å; N472-A474 PolarHBondContact OD1-N 3.37Å; N472-A474 VanDerWaalsContact OD1-N 3.16Å; N472-D475 WeakPolarHBondContact CB-OD2 3.3Å; N472-D475 PolarHBondContact O-N 3.23Å; N472-I476 PolarHBondContact O-N 2.86Å | ||
| 473 | V | 43.3 | Very low | 41.9 | Very low | 100 Ų | 100 | 100.2 Ų | 100.2 | 61% | 0.606 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -58.5 | -33.9 | 175.6 | -178.9 | 0 | 0 | 0 | 0 | 111.6 | D475 I476 S477 | V473-D475 VanDerWaalsContact C-N 3.27Å; V473-D475 PolarHBondContact O-N 2.77Å; V473-I476 PolarHBondContact O-N 3.45Å; V473-S477 PolarHBondContact O-N 2.9Å; V473-S477 PolarHBondContact O-OG 3.23Å |
| 474 | A | 49.9 | Very low | 43.4 | Very low | 47 Ų | 47 | 98 Ų | 98 | 39% | 0.388 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.5 | -25.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N472 S477 R478 | N472-A474 PolarHBondContact O-N 2.91Å; N472-A474 PolarHBondContact OD1-N 3.37Å; N472-A474 VanDerWaalsContact OD1-N 3.16Å; A474-S477 PolarHBondContact O-OG 2.9Å; A474-S477 VanDerWaalsContact O-OG 3.1Å; A474-R478 WeakPolarHBondContact O-CB 3.44Å; A474-R478 PolarHBondContact O-N 2.89Å |
| 475 | D | 45.5 | Very low | 45.2 | Very low | 67 Ų | 67 | 94.3 Ų | 94.3 | 36% | 0.358 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -82.1 | -33.4 | 174.8 | -63.5 | -37.9 | 0 | 0 | 0 | 110.6 | V470 N472 V473 R478 Q479 | V470-D475 HydrophobicContact CG1-CB 3.46Å; V470-D475 VanDerWaalsContact CG1-CB 3.46Å; N472-D475 WeakPolarHBondContact CB-OD2 3.3Å; N472-D475 PolarHBondContact O-N 3.23Å; V473-D475 VanDerWaalsContact C-N 3.27Å; V473-D475 PolarHBondContact O-N 2.77Å; D475-R478 PolarHBondContact O-N 2.79Å; D475-Q479 WeakPolarHBondContact O-CB 3.41Å; D475-Q479 PolarHBondContact O-N 3.33Å |
| 476 | I | 39.6 | Very low | 47.2 | Very low | 36 Ų | 36 | 91.9 Ų | 91.9 | 19% | 0.185 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 171.9 | -59.1 | 175.2 | 0 | 0 | 0 | 110.4 | Y438 L440 V470 N472 V473 R478 Q479 A480 | Y438-I476 HydrophobicContact CD2-CG2 4.3Å; Y438-I476 HydrophobicContact CE2-CG2 4.4Å; L440-I476 HydrophobicContact CD1-CD1 4.39Å; L440-I476 HydrophobicContact CD2-CD1 4.21Å; V470-I476 HydrophobicContact CB-CG1 4.05Å; V470-I476 HydrophobicContact CG1-CG1 3.55Å; N472-I476 PolarHBondContact O-N 2.86Å; V473-I476 PolarHBondContact O-N 3.45Å; I476-R478 PolarHBondContact O-N 2.88Å; I476-Q479 PolarHBondContact O-N 3.39Å; I476-A480 PolarHBondContact O-N 3.31Å |
| 477 | S | 40.5 | Very low | 49.2 | Very low | 65 Ų | 65 | 87.4 Ų | 87.4 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.5 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | V473 A474 Q479 A480 T481 | V473-S477 PolarHBondContact O-N 2.9Å; V473-S477 PolarHBondContact O-OG 3.23Å; A474-S477 PolarHBondContact O-OG 2.9Å; A474-S477 VanDerWaalsContact O-OG 3.1Å; S477-Q479 VanDerWaalsContact C-N 3.3Å; S477-Q479 PolarHBondContact O-N 2.96Å; S477-A480 PolarHBondContact O-N 2.89Å; S477-T481 PolarHBondContact O-N 2.98Å; S477-T481 PolarHBondContact O-OG1 3.1Å; S477-T481 VanDerWaalsContact O-OG1 3.1Å |
| 478 | R | 56.8 | Low | 50.8 | Low | 171 Ų | 171 | 86.9 Ų | 86.9 | 65% | 0.645 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -59.7 | -40 | 174.8 | -173.3 | -178.3 | -62.3 | 177.6 | 2.4 | 112.3 | A474 D475 I476 Q482 | A474-R478 WeakPolarHBondContact O-CB 3.44Å; A474-R478 PolarHBondContact O-N 2.89Å; D475-R478 PolarHBondContact O-N 2.79Å; I476-R478 PolarHBondContact O-N 2.88Å; R478-Q482 WeakPolarHBondContact O-CB 3.34Å; R478-Q482 PolarHBondContact O-N 3.02Å |
| 479 | Q | 53.4 | Low | 52.7 | Low | 97 Ų | 97 | 84.9 Ų | 84.9 | 45% | 0.453 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -73.3 | -30.6 | 178.4 | -171.5 | 173.9 | 70 | 0 | 0 | 112.8 | D475 I476 S477 K483 | D475-Q479 WeakPolarHBondContact O-CB 3.41Å; D475-Q479 PolarHBondContact O-N 3.33Å; I476-Q479 PolarHBondContact O-N 3.39Å; S477-Q479 VanDerWaalsContact C-N 3.3Å; S477-Q479 PolarHBondContact O-N 2.96Å; Q479-K483 WeakPolarHBondContact O-CG 3.45Å; Q479-K483 PolarHBondContact O-N 2.91Å; Q479-K483 VanDerWaalsContact O-N 3.11Å |
| 480 | A | 41.3 | Very low | 54.5 | Low | 34 Ų | 34 | 83.6 Ų | 83.6 | 28% | 0.281 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.4 | -55.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | I476 S477 Q482 K483 E484 | I476-A480 PolarHBondContact O-N 3.31Å; S477-A480 PolarHBondContact O-N 2.89Å; A480-Q482 PolarHBondContact O-N 3.32Å; A480-K483 WeakPolarHBondContact O-CA 3.39Å; A480-K483 WeakPolarHBondContact O-CB 3.28Å; A480-K483 PolarHBondContact O-N 3.1Å; A480-E484 WeakPolarHBondContact O-CG 3.47Å; A480-E484 PolarHBondContact O-N 3.2Å |
| 481 | T | 62.2 | Low | 56.3 | Low | 52 Ų | 52 | 85.1 Ų | 85.1 | 32% | 0.319 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.5 | -32.4 | 177.8 | -52.7 | 0 | 0 | 0 | 0 | 112.8 | S477 E484 N485 L514 | S477-T481 PolarHBondContact O-N 2.98Å; S477-T481 PolarHBondContact O-OG1 3.1Å; S477-T481 VanDerWaalsContact O-OG1 3.1Å; T481-E484 VanDerWaalsContact CA-OE2 3.24Å; T481-E484 WeakPolarHBondContact CA-OE2 3.34Å; T481-E484 PolarHBondContact N-OE2 3.16Å; T481-N485 WeakPolarHBondContact O-CB 3.46Å; T481-N485 PolarHBondContact O-N 3.28Å; T481-N485 PolarHBondContact O-ND2 3.44Å; T481-L514 HydrophobicContact CG2-CD2 3.7Å |
| 482 | Q | 65.5 | Low | 57.5 | Low | 107 Ų | 107 | 78.9 Ų | 78.9 | 50% | 0.5 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -67.5 | -41.9 | 171.3 | -175.5 | -179 | -21.8 | 0 | 0 | 112.4 | R478 A480 N485 E486 | R478-Q482 WeakPolarHBondContact O-CB 3.34Å; R478-Q482 PolarHBondContact O-N 3.02Å; A480-Q482 PolarHBondContact O-N 3.32Å; Q482-N485 VanDerWaalsContact O-CB 3.28Å; Q482-N485 WeakPolarHBondContact O-CB 3.35Å; Q482-N485 PolarHBondContact O-N 2.97Å; Q482-E486 PolarHBondContact NE2-OE1 3.41Å; Q482-E486 WeakPolarHBondContact O-CG 3.48Å; Q482-E486 PolarHBondContact O-N 3.22Å |
| 483 | K | 65.3 | Low | 59.2 | Low | 130 Ų | 130 | 78.7 Ų | 78.7 | 57% | 0.565 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -66.9 | -38.3 | 175.6 | -77.5 | -178.4 | 174.7 | -177.2 | 0 | 112.1 | Q479 A480 N485 E486 V487 | Q479-K483 WeakPolarHBondContact O-CG 3.45Å; Q479-K483 PolarHBondContact O-N 2.91Å; Q479-K483 VanDerWaalsContact O-N 3.11Å; A480-K483 WeakPolarHBondContact O-CA 3.39Å; A480-K483 WeakPolarHBondContact O-CB 3.28Å; A480-K483 PolarHBondContact O-N 3.1Å; K483-N485 VanDerWaalsContact C-N 3.34Å; K483-E486 PolarHBondContact O-N 3.18Å; K483-V487 WeakPolarHBondContact O-CG2 3.35Å; K483-V487 PolarHBondContact O-N 3.49Å |
| 484 | E | 59.3 | Low | 60.7 | Low | 102 Ų | 102 | 79.2 Ų | 79.2 | 48% | 0.477 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 174.3 | -70.9 | 158.5 | 156.8 | 0 | 0 | 110.1 | A480 T481 E486 V487 Y488 | A480-E484 WeakPolarHBondContact O-CG 3.47Å; A480-E484 PolarHBondContact O-N 3.2Å; T481-E484 VanDerWaalsContact CA-OE2 3.24Å; T481-E484 WeakPolarHBondContact CA-OE2 3.34Å; T481-E484 PolarHBondContact N-OE2 3.16Å; E484-E486 PolarHBondContact O-N 3.34Å; E484-V487 PolarHBondContact O-N 3.22Å; E484-Y488 WeakPolarHBondContact O-CD2 3.34Å; E484-Y488 PolarHBondContact O-N 3.25Å |
| 485 | N | 63.3 | Low | 61.6 | Low | 22 Ų | 22 | 81 Ų | 81 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -54.3 | -49.2 | 169 | -95.2 | -90.1 | 0 | 0 | 0 | 113.6 | T481 Q482 K483 V487 Y488 K489 L514 | T481-N485 WeakPolarHBondContact O-CB 3.46Å; T481-N485 PolarHBondContact O-N 3.28Å; T481-N485 PolarHBondContact O-ND2 3.44Å; Q482-N485 VanDerWaalsContact O-CB 3.28Å; Q482-N485 WeakPolarHBondContact O-CB 3.35Å; Q482-N485 PolarHBondContact O-N 2.97Å; K483-N485 VanDerWaalsContact C-N 3.34Å; N485-V487 VanDerWaalsContact C-N 3.34Å; N485-Y488 PolarHBondContact O-N 3.2Å; N485-K489 VanDerWaalsContact O-CB 3.28Å; N485-K489 WeakPolarHBondContact O-CB 3.34Å; N485-K489 WeakPolarHBondContact O-CG 3.04Å; N485-K489 PolarHBondContact O-N 3.1Å; N485-K489 PolarHBondContact OD1-NZ 2.96Å; N485-L514 WeakPolarHBondContact ND2-CD2 3.28Å |
| 486 | E | 69.9 | Low | 62.9 | Low | 110 Ų | 110 | 79.7 Ų | 79.7 | 51% | 0.514 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.9 | -38.4 | -177.8 | -75 | 172.3 | -163.8 | 0 | 0 | 111.3 | Q482 K483 E484 S490 | Q482-E486 PolarHBondContact NE2-OE1 3.41Å; Q482-E486 WeakPolarHBondContact O-CG 3.48Å; Q482-E486 PolarHBondContact O-N 3.22Å; K483-E486 PolarHBondContact O-N 3.18Å; E484-E486 PolarHBondContact O-N 3.34Å; E486-S490 WeakPolarHBondContact O-CB 3.44Å; E486-S490 PolarHBondContact O-N 2.86Å |
| 487 | V | 69.1 | Low | 64.7 | Low | 85 Ų | 85 | 87 Ų | 87 | 52% | 0.515 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.2 | -47.7 | 173.4 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | K483 E484 N485 K489 S490 M491 | K483-V487 WeakPolarHBondContact O-CG2 3.35Å; K483-V487 PolarHBondContact O-N 3.49Å; E484-V487 PolarHBondContact O-N 3.22Å; N485-V487 VanDerWaalsContact C-N 3.34Å; V487-K489 PolarHBondContact O-N 3.42Å; V487-S490 WeakPolarHBondContact O-CB 3.35Å; V487-S490 PolarHBondContact O-N 3.39Å; V487-M491 HydrophobicContact CG1-CE 4.19Å; V487-M491 WeakPolarHBondContact O-CG 3.39Å; V487-M491 PolarHBondContact O-N 3.09Å |
| 488 | Y | 61.9 | Low | 66.2 | Low | 111 Ų | 111 | 89.2 Ų | 89.2 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 176.4 | -92.3 | -80.9 | 0 | 0 | 0 | 112.7 | E484 N485 S490 M491 V492 | E484-Y488 WeakPolarHBondContact O-CD2 3.34Å; E484-Y488 PolarHBondContact O-N 3.25Å; N485-Y488 PolarHBondContact O-N 3.2Å; Y488-S490 VanDerWaalsContact C-N 3.31Å; Y488-S490 PolarHBondContact O-N 3.37Å; Y488-M491 HydrophobicContact CD1-CE 3.66Å; Y488-M491 HydrophobicContact CD2-CE 4.31Å; Y488-M491 HydrophobicContact CE1-CE 3.86Å; Y488-M491 HydrophobicContact CE2-CE 4.48Å; Y488-M491 HydrophobicContact CG-CE 3.91Å; Y488-M491 PolarHBondContact O-N 3.06Å; Y488-V492 WeakPolarHBondContact O-CG2 3.33Å; Y488-V492 PolarHBondContact O-N 3.41Å |
| 489 | K | 72.1 | Confident | 66.5 | Low | 65 Ų | 65 | 84.1 Ų | 84.1 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.6 | -30.1 | 177.1 | -74.5 | 162.9 | 177.2 | 159.9 | 0 | 111.8 | N485 V487 T493 V510 D511 | N485-K489 VanDerWaalsContact O-CB 3.28Å; N485-K489 WeakPolarHBondContact O-CB 3.34Å; N485-K489 WeakPolarHBondContact O-CG 3.04Å; N485-K489 PolarHBondContact O-N 3.1Å; N485-K489 PolarHBondContact OD1-NZ 2.96Å; V487-K489 PolarHBondContact O-N 3.42Å; K489-T493 WeakPolarHBondContact O-CB 3.39Å; K489-T493 PolarHBondContact O-N 3.35Å; K489-T493 VanDerWaalsContact O-N 3.09Å; K489-T493 PolarHBondContact O-OG1 3.05Å; K489-V510 HydrophobicContact CG-CB 4.38Å; K489-V510 HydrophobicContact CG-CG1 4.23Å; K489-V510 HydrophobicContact CG-CG2 4.25Å; K489-D511 IonicContact NZ-OD1 2.67Å; K489-D511 PolarHBondContact NZ-OD1 2.96Å; K489-D511 IonicContact NZ-OD2 3.79Å |
| 490 | S | 72 | Confident | 66.8 | Low | 72 Ų | 72 | 83.4 Ų | 83.4 | 50% | 0.503 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.4 | -49.7 | 167.4 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | E486 V487 Y488 V492 T493 E494 | E486-S490 WeakPolarHBondContact O-CB 3.44Å; E486-S490 PolarHBondContact O-N 2.86Å; V487-S490 WeakPolarHBondContact O-CB 3.35Å; V487-S490 PolarHBondContact O-N 3.39Å; Y488-S490 VanDerWaalsContact C-N 3.31Å; Y488-S490 PolarHBondContact O-N 3.37Å; S490-V492 PolarHBondContact O-N 3.05Å; S490-T493 WeakPolarHBondContact O-CB 3.46Å; S490-T493 PolarHBondContact O-N 3.26Å; S490-T493 VanDerWaalsContact O-N 3.11Å; S490-E494 PolarHBondContact O-N 3.16Å |
| 491 | M | 68.8 | Low | 67.7 | Low | 73 Ų | 73 | 89.2 Ų | 89.2 | 36% | 0.36 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 179.1 | -70.5 | -171.1 | -63.2 | 0 | 0 | 112.5 | V487 Y488 T493 E494 F495 | V487-M491 HydrophobicContact CG1-CE 4.19Å; V487-M491 WeakPolarHBondContact O-CG 3.39Å; V487-M491 PolarHBondContact O-N 3.09Å; Y488-M491 HydrophobicContact CD1-CE 3.66Å; Y488-M491 HydrophobicContact CD2-CE 4.31Å; Y488-M491 HydrophobicContact CE1-CE 3.86Å; Y488-M491 HydrophobicContact CE2-CE 4.48Å; Y488-M491 HydrophobicContact CG-CE 3.91Å; Y488-M491 PolarHBondContact O-N 3.06Å; M491-T493 VanDerWaalsContact C-N 3.32Å; M491-T493 PolarHBondContact O-N 3.15Å; M491-E494 PolarHBondContact O-N 2.93Å; M491-F495 WeakPolarHBondContact O-CB 3.44Å; M491-F495 PolarHBondContact O-N 3.47Å |
| 492 | V | 70.2 | Confident | 67.4 | Low | 23 Ų | 23 | 92 Ų | 92 | 14% | 0.139 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.1 | -37.3 | 175 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | Y488 S490 N496 I505 V510 | Y488-V492 WeakPolarHBondContact O-CG2 3.33Å; Y488-V492 PolarHBondContact O-N 3.41Å; S490-V492 PolarHBondContact O-N 3.05Å; V492-N496 VanDerWaalsContact O-CB 3.3Å; V492-N496 WeakPolarHBondContact O-CB 3.36Å; V492-N496 VanDerWaalsContact O-CG 3.26Å; V492-N496 PolarHBondContact O-N 2.85Å; V492-N496 PolarHBondContact O-ND2 2.65Å; V492-N496 VanDerWaalsContact O-ND2 3.09Å; V492-I505 HydrophobicContact CG1-CB 4.14Å; V492-I505 HydrophobicContact CG1-CG2 4Å; V492-I505 HydrophobicContact CG2-CG2 4.37Å; V492-V510 HydrophobicContact CG2-CG2 3.97Å |
| 493 | T | 73.3 | Confident | 66.9 | Low | 84 Ų | 84 | 93.3 Ų | 93.3 | 52% | 0.515 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.5 | -38.5 | 175.6 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | K489 S490 M491 R497 | K489-T493 WeakPolarHBondContact O-CB 3.39Å; K489-T493 PolarHBondContact O-N 3.35Å; K489-T493 VanDerWaalsContact O-N 3.09Å; K489-T493 PolarHBondContact O-OG1 3.05Å; S490-T493 WeakPolarHBondContact O-CB 3.46Å; S490-T493 PolarHBondContact O-N 3.26Å; S490-T493 VanDerWaalsContact O-N 3.11Å; M491-T493 VanDerWaalsContact C-N 3.32Å; M491-T493 PolarHBondContact O-N 3.15Å; T493-R497 WeakPolarHBondContact O-CB 3.48Å; T493-R497 PolarHBondContact O-N 3.09Å; T493-R497 VanDerWaalsContact O-N 3.09Å |
| 494 | E | 73.8 | Confident | 66.5 | Low | 111 Ų | 111 | 94.1 Ų | 94.1 | 52% | 0.519 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -70.9 | -42.9 | 176.9 | -173.7 | 169.3 | -174.8 | 0 | 0 | 112.2 | S490 M491 N496 R497 N498 | S490-E494 PolarHBondContact O-N 3.16Å; M491-E494 PolarHBondContact O-N 2.93Å; E494-N496 PolarHBondContact O-N 3.11Å; E494-R497 WeakPolarHBondContact O-CB 3.46Å; E494-R497 PolarHBondContact O-N 2.96Å; E494-R497 VanDerWaalsContact O-N 3.09Å; E494-N498 PolarHBondContact O-N 2.93Å |
| 495 | F | 69.5 | Low | 66.5 | Low | 85 Ų | 85 | 92.1 Ų | 92.1 | 37% | 0.373 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -57.4 | -50.6 | 173.3 | -175.7 | -87.8 | 0 | 0 | 0 | 111.5 | M491 R497 N498 K499 I505 | M491-F495 WeakPolarHBondContact O-CB 3.44Å; M491-F495 PolarHBondContact O-N 3.47Å; F495-R497 PolarHBondContact O-N 2.75Å; F495-N498 PolarHBondContact O-N 3.3Å; F495-N498 VanDerWaalsContact O-N 3.16Å; F495-K499 HydrophobicContact CZ-CD 4.33Å; F495-K499 PolarHBondContact O-N 2.88Å; F495-K499 VanDerWaalsContact O-N 3.11Å; F495-I505 HydrophobicContact CD1-CD1 3.63Å; F495-I505 HydrophobicContact CD1-CG1 4.19Å; F495-I505 HydrophobicContact CE1-CD1 3.61Å; F495-I505 HydrophobicContact CE1-CG1 4.1Å; F495-I505 HydrophobicContact CG-CD1 4.33Å; F495-I505 HydrophobicContact CZ-CD1 4.29Å |
| 496 | N | 73.7 | Confident | 66.2 | Low | 39 Ų | 39 | 93.9 Ų | 93.9 | 21% | 0.209 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -65.7 | -17.8 | 176.9 | -74.4 | -33.8 | 0 | 0 | 0 | 113.7 | V492 E494 K504 I505 | V492-N496 VanDerWaalsContact O-CB 3.3Å; V492-N496 WeakPolarHBondContact O-CB 3.36Å; V492-N496 VanDerWaalsContact O-CG 3.26Å; V492-N496 PolarHBondContact O-N 2.85Å; V492-N496 PolarHBondContact O-ND2 2.65Å; V492-N496 VanDerWaalsContact O-ND2 3.09Å; E494-N496 PolarHBondContact O-N 3.11Å; N496-K504 WeakPolarHBondContact OD1-CA 3.41Å; N496-I505 PolarHBondContact ND2-O 2.84Å; N496-I505 PolarHBondContact OD1-N 3.41Å |
| 497 | R | 77.2 | Confident | 65.5 | Low | 189 Ų | 189 | 91.9 Ų | 91.9 | 71% | 0.713 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -83.4 | -38.6 | 172.1 | 177.8 | -178.1 | -73 | 166.3 | -2.6 | 111.7 | T493 E494 F495 | T493-R497 WeakPolarHBondContact O-CB 3.48Å; T493-R497 PolarHBondContact O-N 3.09Å; T493-R497 VanDerWaalsContact O-N 3.09Å; E494-R497 WeakPolarHBondContact O-CB 3.46Å; E494-R497 PolarHBondContact O-N 2.96Å; E494-R497 VanDerWaalsContact O-N 3.09Å; F495-R497 PolarHBondContact O-N 2.75Å |
| 498 | N | 72.1 | Confident | 64.9 | Low | 112 Ų | 112 | 92.3 Ų | 92.3 | 60% | 0.599 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -80.9 | -15.3 | -176.1 | -67.6 | -14.7 | 0 | 0 | 0 | 113.3 | E494 F495 | E494-N498 PolarHBondContact O-N 2.93Å; F495-N498 PolarHBondContact O-N 3.3Å; F495-N498 VanDerWaalsContact O-N 3.16Å |
| 499 | K | 63.4 | Low | 64.5 | Low | 64 Ų | 64 | 90.2 Ų | 90.2 | 28% | 0.278 | 47% | 0.473 | S | S | . | . | trans | -134.7 | 86.5 | 173.2 | -75.5 | -177 | 157.7 | -162 | 0 | 111.6 | F495 D501 E502 | F495-K499 HydrophobicContact CZ-CD 4.33Å; F495-K499 PolarHBondContact O-N 2.88Å; F495-K499 VanDerWaalsContact O-N 3.11Å; K499-D501 VanDerWaalsContact C-N 3.35Å; K499-E502 WeakPolarHBondContact CD-OE2 3.39Å; K499-E502 WeakPolarHBondContact CE-OE2 3.44Å; K499-E502 IonicContact NZ-OE1 3.5Å; K499-E502 IonicContact NZ-OE2 3.64Å; K499-E502 PolarHBondContact NZ-OE2 3.38Å | ||
| 500 | P | 58.6 | Low | 63.3 | Low | 81 Ų | 81 | 87.8 Ų | 87.8 | 53% | 0.526 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -73.2 | -23.8 | -179.6 | 28.8 | -34.7 | 0 | 0 | 0 | 114.3 | ||
| 501 | D | 59.8 | Low | 62 | Low | 157 Ų | 157 | 87.6 Ų | 87.6 | 84% | 0.84 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -102 | -2.4 | -169.2 | -54.2 | -51.3 | 0 | 0 | 0 | 114.6 | K499 | K499-D501 VanDerWaalsContact C-N 3.35Š|
| 502 | E | 55.6 | Low | 60.7 | Low | 110 Ų | 110 | 89.3 Ų | 89.3 | 51% | 0.514 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -103.6 | 171.9 | 170.6 | -81.3 | -179.2 | -177 | 0 | 0 | 111.1 | K499 K504 | K499-E502 WeakPolarHBondContact CD-OE2 3.39Å; K499-E502 WeakPolarHBondContact CE-OE2 3.44Å; K499-E502 IonicContact NZ-OE1 3.5Å; K499-E502 IonicContact NZ-OE2 3.64Å; K499-E502 PolarHBondContact NZ-OE2 3.38Å; E502-K504 PolarHBondContact O-N 3.23Å |
| 503 | V | 55.5 | Low | 59.2 | Low | 134 Ų | 134 | 90.4 Ų | 90.4 | 81% | 0.812 | 47% | 0.474 | S | S | * | . | trans | -58.5 | 112 | -172.1 | -178.8 | 0 | 0 | 0 | 0 | 111.1 | I505 | V503-I505 PolarHBondContact O-N 2.9Š| ||
| 504 | K | 56.6 | Low | 57.6 | Low | 147 Ų | 147 | 88.2 Ų | 88.2 | 64% | 0.639 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 118.3 | 175.8 | -70.9 | -179 | 178.9 | 175 | 0 | 110.5 | N496 E502 S506 | N496-K504 WeakPolarHBondContact OD1-CA 3.41Å; E502-K504 PolarHBondContact O-N 3.23Å; K504-S506 PolarHBondContact O-N 2.93Å |
| 505 | I | 59.2 | Low | 55.9 | Low | 60 Ų | 60 | 89.1 Ų | 89.1 | 31% | 0.308 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -68.4 | 117 | 172.4 | -58.4 | 177.5 | 0 | 0 | 0 | 106.9 | V492 F495 N496 V503 V509 | V492-I505 HydrophobicContact CG1-CB 4.14Å; V492-I505 HydrophobicContact CG1-CG2 4Å; V492-I505 HydrophobicContact CG2-CG2 4.37Å; F495-I505 HydrophobicContact CD1-CD1 3.63Å; F495-I505 HydrophobicContact CD1-CG1 4.19Å; F495-I505 HydrophobicContact CE1-CD1 3.61Å; F495-I505 HydrophobicContact CE1-CG1 4.1Å; F495-I505 HydrophobicContact CG-CD1 4.33Å; F495-I505 HydrophobicContact CZ-CD1 4.29Å; N496-I505 PolarHBondContact ND2-O 2.84Å; N496-I505 PolarHBondContact OD1-N 3.41Å; V503-I505 PolarHBondContact O-N 2.9Å; I505-V509 HydrophobicContact CG2-CB 4.47Å; I505-V509 HydrophobicContact CG2-CG2 4.45Å |
| 506 | S | 57.4 | Low | 54.1 | Low | 59 Ų | 59 | 92.5 Ų | 92.5 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 146.4 | 178.3 | 83.2 | 0 | 0 | 0 | 0 | 110.2 | K504 N508 V509 | K504-S506 PolarHBondContact O-N 2.93Å; S506-N508 PolarHBondContact O-N 3.34Å; S506-N508 VanDerWaalsContact O-N 3.13Å; S506-V509 PolarHBondContact O-N 3.35Å |
| 507 | S | 56.9 | Low | 52.3 | Low | 68 Ų | 68 | 94.9 Ų | 94.9 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -31.6 | 175.4 | 41.7 | 0 | 0 | 0 | 0 | 112.9 | V509 V510 | S507-V509 PolarHBondContact O-N 3.33Å; S507-V510 WeakPolarHBondContact O-CB 3.4Å; S507-V510 PolarHBondContact O-N 3.04Å |
| 508 | N | 56.2 | Low | 50.4 | Low | 94 Ų | 94 | 92.1 Ų | 92.1 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.3 | -25.4 | -173.4 | -50.8 | 17.2 | 0 | 0 | 0 | 112.1 | S506 V510 D511 D512 | S506-N508 PolarHBondContact O-N 3.34Å; S506-N508 VanDerWaalsContact O-N 3.13Å; N508-V510 PolarHBondContact O-N 3.48Å; N508-D511 PolarHBondContact O-N 3.13Å; N508-D512 PolarHBondContact O-N 3.19Å |
| 509 | V | 52.2 | Low | 48.8 | Very low | 68 Ų | 68 | 93.5 Ų | 93.5 | 41% | 0.412 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -32.5 | 174.2 | -177.1 | 0 | 0 | 0 | 0 | 111 | I505 S506 S507 V513 | I505-V509 HydrophobicContact CG2-CB 4.47Å; I505-V509 HydrophobicContact CG2-CG2 4.45Å; S506-V509 PolarHBondContact O-N 3.35Å; S507-V509 PolarHBondContact O-N 3.33Å; V509-V513 HydrophobicContact CG1-CG2 4.41Å; V509-V513 WeakPolarHBondContact O-CB 3.27Å; V509-V513 VanDerWaalsContact O-CG2 3.22Å; V509-V513 WeakPolarHBondContact O-CG2 3.22Å; V509-V513 PolarHBondContact O-N 2.95Å; V509-V513 VanDerWaalsContact O-N 3.1Å |
| 510 | V | 47 | Very low | 47.2 | Very low | 14 Ų | 14 | 97.6 Ų | 97.6 | 9% | 0.085 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -67.2 | -41 | 174.8 | -174 | 0 | 0 | 0 | 0 | 110.6 | K489 V492 S507 N508 L514 | K489-V510 HydrophobicContact CG-CB 4.38Å; K489-V510 HydrophobicContact CG-CG1 4.23Å; K489-V510 HydrophobicContact CG-CG2 4.25Å; V492-V510 HydrophobicContact CG2-CG2 3.97Å; S507-V510 WeakPolarHBondContact O-CB 3.4Å; S507-V510 PolarHBondContact O-N 3.04Å; N508-V510 PolarHBondContact O-N 3.48Å; V510-L514 WeakPolarHBondContact O-CB 3.24Å; V510-L514 PolarHBondContact O-N 2.85Å; V510-L514 VanDerWaalsContact O-N 3.16Å |
| 511 | D | 45.8 | Very low | 46.2 | Very low | 67 Ų | 67 | 96.6 Ų | 96.6 | 36% | 0.358 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.6 | -40.9 | -179.6 | -59.6 | -55.5 | 0 | 0 | 0 | 111.9 | K489 N508 L514 I515 | K489-D511 IonicContact NZ-OD1 2.67Å; K489-D511 PolarHBondContact NZ-OD1 2.96Å; K489-D511 IonicContact NZ-OD2 3.79Å; N508-D511 PolarHBondContact O-N 3.13Å; D511-L514 PolarHBondContact O-N 3.22Å; D511-I515 WeakPolarHBondContact O-CD1 3.39Å; D511-I515 VanDerWaalsContact O-CG1 3.27Å; D511-I515 WeakPolarHBondContact O-CG1 3.36Å; D511-I515 PolarHBondContact O-N 3.04Å |
| 512 | D | 42.1 | Very low | 45.4 | Very low | 110 Ų | 110 | 92.3 Ų | 92.3 | 59% | 0.588 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66 | -41.1 | 176.7 | -77 | -33 | 0 | 0 | 0 | 112.7 | N508 I515 | N508-D512 PolarHBondContact O-N 3.19Å; D512-I515 PolarHBondContact O-N 3.41Å |
| 513 | V | 37.2 | Very low | 44.5 | Very low | 45 Ų | 45 | 92.2 Ų | 92.2 | 27% | 0.273 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 175.3 | 166.8 | 0 | 0 | 0 | 0 | 110.5 | V509 I515 Q516 M526 | V509-V513 HydrophobicContact CG1-CG2 4.41Å; V509-V513 WeakPolarHBondContact O-CB 3.27Å; V509-V513 VanDerWaalsContact O-CG2 3.22Å; V509-V513 WeakPolarHBondContact O-CG2 3.22Å; V509-V513 PolarHBondContact O-N 2.95Å; V509-V513 VanDerWaalsContact O-N 3.1Å; V513-I515 VanDerWaalsContact C-N 3.29Å; V513-I515 PolarHBondContact O-N 3.22Å; V513-Q516 PolarHBondContact O-N 3.2Å; V513-Q516 VanDerWaalsContact O-N 3.15Å; V513-M526 HydrophobicContact CG1-CE 3.6Å |
| 514 | L | 40.3 | Very low | 43.9 | Very low | 39 Ų | 39 | 92.9 Ų | 92.9 | 20% | 0.204 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -67.2 | -28.4 | -178.2 | -135.2 | 88.7 | 0 | 0 | 0 | 113.9 | T481 N485 V510 D511 Q516 E517 | T481-L514 HydrophobicContact CG2-CD2 3.7Å; N485-L514 WeakPolarHBondContact ND2-CD2 3.28Å; V510-L514 WeakPolarHBondContact O-CB 3.24Å; V510-L514 PolarHBondContact O-N 2.85Å; V510-L514 VanDerWaalsContact O-N 3.16Å; D511-L514 PolarHBondContact O-N 3.22Å; L514-Q516 PolarHBondContact O-N 3.06Å; L514-E517 WeakPolarHBondContact CD1-OE2 3.47Å; L514-E517 WeakPolarHBondContact CG-OE2 3.41Å; L514-E517 PolarHBondContact O-N 2.91Å |
| 515 | I | 37.7 | Very low | 43.1 | Very low | 129 Ų | 129 | 90.6 Ų | 90.6 | 66% | 0.662 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.3 | -20 | 177.5 | -73 | 164 | 0 | 0 | 0 | 111.4 | D511 D512 V513 | D511-I515 WeakPolarHBondContact O-CD1 3.39Å; D511-I515 VanDerWaalsContact O-CG1 3.27Å; D511-I515 WeakPolarHBondContact O-CG1 3.36Å; D511-I515 PolarHBondContact O-N 3.04Å; D512-I515 PolarHBondContact O-N 3.41Å; V513-I515 VanDerWaalsContact C-N 3.29Å; V513-I515 PolarHBondContact O-N 3.22Å |
| 516 | Q | 31.3 | Very low | 42.1 | Very low | 156 Ų | 156 | 90.7 Ų | 90.7 | 73% | 0.729 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -84.5 | -18.5 | 174.3 | -61.4 | -169.6 | -8.2 | 0 | 0 | 114 | V513 L514 T518 L519 | V513-Q516 PolarHBondContact O-N 3.2Å; V513-Q516 VanDerWaalsContact O-N 3.15Å; L514-Q516 PolarHBondContact O-N 3.06Å; Q516-T518 PolarHBondContact O-N 2.95Å; Q516-L519 PolarHBondContact O-N 3.22Å |
| 517 | E | 37.2 | Very low | 41.4 | Very low | 89 Ų | 89 | 90 Ų | 90 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 9.2 | -173.7 | -66.2 | -176 | 167.7 | 0 | 0 | 116 | L514 L519 | L514-E517 WeakPolarHBondContact CD1-OE2 3.47Å; L514-E517 WeakPolarHBondContact CG-OE2 3.41Å; L514-E517 PolarHBondContact O-N 2.91Å; E517-L519 VanDerWaalsContact C-N 3.32Å |
| 518 | T | 37 | Very low | 40.7 | Very low | 132 Ų | 132 | 94.6 Ų | 94.6 | 81% | 0.81 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -5.3 | 174.6 | 49.8 | 0 | 0 | 0 | 0 | 114.3 | Q516 | Q516-T518 PolarHBondContact O-N 2.95Š|
| 519 | L | 38.1 | Very low | 40.1 | Very low | 140 Ų | 140 | 97.4 Ų | 97.4 | 73% | 0.733 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -132.5 | 138.2 | 165.6 | -80.9 | 143.1 | 0 | 0 | 0 | 107.7 | Q516 E517 P521 | Q516-L519 PolarHBondContact O-N 3.22Å; E517-L519 VanDerWaalsContact C-N 3.32Å; L519-P521 WeakPolarHBondContact O-CD 3.35Å |
| 520 | D | 30.7 | Very low | 39.5 | Very low | 150 Ų | 150 | 101.5 Ų | 101.5 | 80% | 0.802 | 53% | 0.529 | S | S | * | . | trans | -64 | 128.4 | -167 | -46.1 | -95.1 | 0 | 0 | 0 | 113.3 | ||||
| 521 | P | 36.8 | Very low | 39.1 | Very low | 60 Ų | 60 | 105.8 Ų | 105.8 | 39% | 0.39 | 56% | 0.557 | S | S | . | * | trans | -122.4 | 142.4 | 134.2 | 36.5 | -32.5 | 0 | 0 | 0 | 111.2 | L519 E525 M526 | L519-P521 WeakPolarHBondContact O-CD 3.35Å; P521-E525 HydrophobicContact CB-CB 3.89Å; P521-M526 HydrophobicContact CB-CG 4.45Å; P521-M526 HydrophobicContact CG-CG 4.14Å | ||
| 522 | T | 42.5 | Very low | 38.8 | Very low | 68 Ų | 68 | 108.7 Ų | 108.7 | 42% | 0.417 | 56% | 0.564 | S | S | . | * | trans | -69.4 | 160.7 | 169.1 | 62 | 0 | 0 | 0 | 0 | 111.5 | M524 E525 M526 | T522-M524 PolarHBondContact O-N 2.7Å; T522-E525 VanDerWaalsContact CB-OE2 3.26Å; T522-E525 WeakPolarHBondContact CB-OE2 3.31Å; T522-E525 WeakPolarHBondContact CG2-OE2 3.39Å; T522-E525 PolarHBondContact N-OE2 3.4Å; T522-E525 PolarHBondContact O-N 3.4Å; T522-E525 PolarHBondContact OG1-N 3.21Å; T522-E525 PolarHBondContact OG1-OE2 3.03Å; T522-M526 PolarHBondContact O-N 3.44Å; T522-M526 VanDerWaalsContact O-N 3.08Å | ||
| 523 | P | 36.9 | Very low | 38.7 | Very low | 108 Ų | 108 | 112.6 Ų | 112.6 | 70% | 0.701 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -56.4 | -20.6 | 173.6 | -28.4 | 36.7 | 0 | 0 | 0 | 115 | ||
| 524 | M | 42.1 | Very low | 38.9 | Very low | 147 Ų | 147 | 113.7 Ų | 113.7 | 72% | 0.724 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -77.5 | -40.9 | 169.8 | -77.2 | -165.1 | -70.9 | 0 | 0 | 112.6 | T522 M526 A527 H528 | T522-M524 PolarHBondContact O-N 2.7Å; M524-M526 VanDerWaalsContact C-N 3.27Å; M524-M526 PolarHBondContact O-N 2.9Å; M524-A527 WeakPolarHBondContact O-CB 3.28Å; M524-A527 PolarHBondContact O-N 2.88Å; M524-H528 PolarHBondContact O-CD2 2.95Å; M524-H528 PolarHBondContact O-N 2.74Å; M524-H528 VanDerWaalsContact O-N 3.1Å |
| 525 | E | 41.1 | Very low | 39.1 | Very low | 99 Ų | 99 | 120 Ų | 120 | 46% | 0.463 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.4 | -30.8 | 177.6 | -72.8 | 158.5 | 120.1 | 0 | 0 | 112.1 | P521 T522 H528 H529 | P521-E525 HydrophobicContact CB-CB 3.89Å; T522-E525 VanDerWaalsContact CB-OE2 3.26Å; T522-E525 WeakPolarHBondContact CB-OE2 3.31Å; T522-E525 WeakPolarHBondContact CG2-OE2 3.39Å; T522-E525 PolarHBondContact N-OE2 3.4Å; T522-E525 PolarHBondContact O-N 3.4Å; T522-E525 PolarHBondContact OG1-N 3.21Å; T522-E525 PolarHBondContact OG1-OE2 3.03Å; E525-H528 PolarHBondContact O-N 2.88Å; E525-H529 PolarHBondContact O-N 2.94Å; E525-H529 PolarHBondContact O-ND1 2.78Å |
| 526 | M | 37.2 | Very low | 39.4 | Very low | 62 Ų | 62 | 119.3 Ų | 119.3 | 31% | 0.305 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -61.9 | -40.9 | 168.2 | -64.3 | -179.3 | 77.9 | 0 | 0 | 112.4 | V513 P521 T522 M524 H528 H529 | V513-M526 HydrophobicContact CG1-CE 3.6Å; P521-M526 HydrophobicContact CB-CG 4.45Å; P521-M526 HydrophobicContact CG-CG 4.14Å; T522-M526 PolarHBondContact O-N 3.44Å; T522-M526 VanDerWaalsContact O-N 3.08Å; M524-M526 VanDerWaalsContact C-N 3.27Å; M524-M526 PolarHBondContact O-N 2.9Å; M526-H528 VanDerWaalsContact C-N 3.3Å; M526-H528 PolarHBondContact O-N 3.44Å; M526-H529 PolarHBondContact O-N 2.89Å |
| 527 | A | 42.7 | Very low | 39.9 | Very low | 44 Ų | 44 | 113.8 Ų | 113.8 | 36% | 0.364 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.3 | -29.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | M524 F541 | M524-A527 WeakPolarHBondContact O-CB 3.28Å; M524-A527 PolarHBondContact O-N 2.88Å; A527-F541 HydrophobicContact CB-CE1 3.78Å; A527-F541 HydrophobicContact CB-CZ 4.13Å |
| 528 | H | 42.4 | Very low | 40.6 | Very low | 166 Ų | 166 | 112.5 Ų | 112.5 | 77% | 0.769 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -75.4 | -26.2 | 173.5 | -85.7 | -89 | 0 | 0 | 0 | 113.9 | M524 E525 M526 | M524-H528 PolarHBondContact O-CD2 2.95Å; M524-H528 PolarHBondContact O-N 2.74Å; M524-H528 VanDerWaalsContact O-N 3.1Å; E525-H528 PolarHBondContact O-N 2.88Å; M526-H528 VanDerWaalsContact C-N 3.3Å; M526-H528 PolarHBondContact O-N 3.44Å |
| 529 | H | 44.4 | Very low | 41.8 | Very low | 152 Ų | 152 | 109.1 Ų | 109.1 | 70% | 0.704 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -76.3 | -18.6 | 179.4 | -96.2 | 79.2 | 0 | 0 | 0 | 114.6 | E525 M526 P531 | E525-H529 PolarHBondContact O-N 2.94Å; E525-H529 PolarHBondContact O-ND1 2.78Å; M526-H529 PolarHBondContact O-N 2.89Å; H529-P531 VanDerWaalsContact O-CD 3.29Å; H529-P531 WeakPolarHBondContact O-CD 3.42Å |
| 530 | Y | 39.1 | Very low | 42.5 | Very low | 155 Ų | 155 | 106.2 Ų | 106.2 | 61% | 0.608 | 54% | 0.541 | S | S | * | . | trans | -115.5 | 86.4 | 178.4 | -76.9 | -83.7 | 0 | 0 | 0 | 111.6 | Y532 | Y530-Y532 WeakPolarHBondContact O-CD2 3.47Å; Y530-Y532 PolarHBondContact O-N 2.93Å | ||
| 531 | P | 37.9 | Very low | 43.5 | Very low | 103 Ų | 103 | 103 Ų | 103 | 67% | 0.669 | 52% | 0.52 | S | S | * | . | trans | -68 | 93.2 | 170.8 | 28.9 | -34.2 | 0 | 0 | 0 | 109.9 | H529 Q533 | H529-P531 VanDerWaalsContact O-CD 3.29Å; H529-P531 WeakPolarHBondContact O-CD 3.42Å; P531-Q533 PolarHBondContact O-N 2.78Å | ||
| 532 | Y | 41.1 | Very low | 44.9 | Very low | 129 Ų | 129 | 105.5 Ų | 105.5 | 51% | 0.506 | 53% | 0.525 | S | S | . | . | trans | -61.9 | 99.4 | 169.7 | -80.3 | -83.2 | 0 | 0 | 0 | 109.6 | Y530 D534 C537 | Y530-Y532 WeakPolarHBondContact O-CD2 3.47Å; Y530-Y532 PolarHBondContact O-N 2.93Å; Y532-D534 PolarHBondContact O-N 3.25Å; Y532-C537 HydrophobicContact CD1-CB 3.39Å; Y532-C537 HydrophobicContact CE1-CB 4.01Å; Y532-C537 HydrophobicContact CG-CB 3.93Å | ||
| 533 | Q | 39.2 | Very low | 45.9 | Very low | 192 Ų | 192 | 105.7 Ų | 105.7 | 90% | 0.897 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -67.8 | -12.3 | 180 | -64.2 | -176.1 | -3.7 | 0 | 0 | 113.3 | P531 | P531-Q533 PolarHBondContact O-N 2.78Š|
| 534 | D | 41.2 | Very low | 46.8 | Very low | 67 Ų | 67 | 104 Ų | 104 | 36% | 0.358 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -95.6 | 116.6 | 168.8 | -165.9 | -29 | 0 | 0 | 0 | 110.6 | Y532 K536 C537 D538 | Y532-D534 PolarHBondContact O-N 3.25Å; D534-K536 PolarHBondContact O-N 3.06Å; D534-K536 VanDerWaalsContact O-N 3.13Å; D534-K536 VanDerWaalsContact OD1-CB 3.31Å; D534-K536 WeakPolarHBondContact OD1-CB 3.46Å; D534-K536 WeakPolarHBondContact OD1-CG 3.39Å; D534-K536 PolarHBondContact OD1-N 3.46Å; D534-C537 WeakPolarHBondContact O-CB 3.32Å; D534-C537 PolarHBondContact O-N 3.29Å; D534-D538 PolarHBondContact O-N 3.4Å |
| 535 | Y | 45.4 | Very low | 47.6 | Very low | 173 Ų | 173 | 99.9 Ų | 99.9 | 68% | 0.678 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -55.7 | -24.7 | 176.1 | 58.2 | -85.8 | 0 | 0 | 0 | 113.5 | A539 | Y535-A539 WeakPolarHBondContact O-CB 3.38Å; Y535-A539 PolarHBondContact O-N 3.15Å |
| 536 | K | 44.2 | Very low | 48.4 | Very low | 114 Ų | 114 | 96.6 Ų | 96.6 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.4 | -35.3 | 174.1 | -62.6 | 174.2 | -177.5 | 168.8 | 0 | 112.1 | D534 L540 | D534-K536 PolarHBondContact O-N 3.06Å; D534-K536 VanDerWaalsContact O-N 3.13Å; D534-K536 VanDerWaalsContact OD1-CB 3.31Å; D534-K536 WeakPolarHBondContact OD1-CB 3.46Å; D534-K536 WeakPolarHBondContact OD1-CG 3.39Å; D534-K536 PolarHBondContact OD1-N 3.46Å; K536-L540 WeakPolarHBondContact O-CG 3.32Å; K536-L540 PolarHBondContact O-N 3.46Å |
| 537 | C | 41.2 | Very low | 49.2 | Very low | 39 Ų | 39 | 97.3 Ų | 97.3 | 26% | 0.264 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -76 | -38 | -179.5 | -66.8 | 0 | 0 | 0 | 0 | 111.4 | Y532 D534 L540 F541 | Y532-C537 HydrophobicContact CD1-CB 3.39Å; Y532-C537 HydrophobicContact CE1-CB 4.01Å; Y532-C537 HydrophobicContact CG-CB 3.93Å; D534-C537 WeakPolarHBondContact O-CB 3.32Å; D534-C537 PolarHBondContact O-N 3.29Å; C537-L540 PolarHBondContact O-N 3.18Å; C537-F541 VanDerWaalsContact O-CB 3.32Å; C537-F541 WeakPolarHBondContact O-CB 3.48Å; C537-F541 PolarHBondContact O-N 3.43Å |
| 538 | D | 50.9 | Low | 49.3 | Very low | 63 Ų | 63 | 99.7 Ų | 99.7 | 34% | 0.337 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 169.6 | 175.9 | 61.6 | 0 | 0 | 0 | 111.8 | D534 L540 F541 K542 | D534-D538 PolarHBondContact O-N 3.4Å; D538-L540 PolarHBondContact O-N 2.97Å; D538-F541 PolarHBondContact O-N 2.96Å; D538-K542 WeakPolarHBondContact O-CB 3.45Å; D538-K542 WeakPolarHBondContact O-CG 3.19Å; D538-K542 PolarHBondContact O-N 3.23Å; D538-K542 WeakPolarHBondContact OD1-CE 3.44Å; D538-K542 IonicContact OD1-NZ 2.65Å; D538-K542 PolarHBondContact OD1-NZ 2.71Å; D538-K542 IonicContact OD2-NZ 2.75Å; D538-K542 PolarHBondContact OD2-NZ 3.08Å |
| 539 | A | 61.9 | Low | 49.7 | Very low | 60 Ų | 60 | 94.6 Ų | 94.6 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y535 S543 | Y535-A539 WeakPolarHBondContact O-CB 3.38Å; Y535-A539 PolarHBondContact O-N 3.15Å; A539-S543 WeakPolarHBondContact O-CB 3.5Å; A539-S543 PolarHBondContact O-N 3.1Å |
| 540 | L | 53.8 | Low | 49.9 | Very low | 80 Ų | 80 | 94.7 Ų | 94.7 | 42% | 0.419 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 175.3 | -74.5 | 170.7 | 0 | 0 | 0 | 112 | K536 C537 D538 S543 C544 | K536-L540 WeakPolarHBondContact O-CG 3.32Å; K536-L540 PolarHBondContact O-N 3.46Å; C537-L540 PolarHBondContact O-N 3.18Å; D538-L540 PolarHBondContact O-N 2.97Å; L540-S543 WeakPolarHBondContact O-CB 3.42Å; L540-S543 PolarHBondContact O-N 2.71Å; L540-C544 PolarHBondContact O-N 2.97Å; L540-C544 PolarHBondContact O-SG 2.89Å; L540-C544 VanDerWaalsContact O-SG 3.35Å |
| 541 | F | 52.3 | Low | 50.1 | Low | 83 Ų | 83 | 92.3 Ų | 92.3 | 36% | 0.364 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -42.1 | 178.4 | -174 | -97.2 | 0 | 0 | 0 | 111.6 | A527 C537 D538 C544 T545 | A527-F541 HydrophobicContact CB-CE1 3.78Å; A527-F541 HydrophobicContact CB-CZ 4.13Å; C537-F541 VanDerWaalsContact O-CB 3.32Å; C537-F541 WeakPolarHBondContact O-CB 3.48Å; C537-F541 PolarHBondContact O-N 3.43Å; D538-F541 PolarHBondContact O-N 2.96Å; F541-C544 PolarHBondContact O-N 3.17Å; F541-T545 HydrophobicContact CD1-CG2 4.2Å; F541-T545 HydrophobicContact CE1-CG2 3.79Å; F541-T545 HydrophobicContact CE2-CG2 4.34Å; F541-T545 HydrophobicContact CZ-CG2 3.87Å; F541-T545 WeakPolarHBondContact O-CB 3.29Å; F541-T545 WeakPolarHBondContact O-CG2 3.07Å; F541-T545 PolarHBondContact O-N 2.76Å; F541-T545 PolarHBondContact O-OG1 2.93Å |
| 542 | K | 64.5 | Low | 50.1 | Low | 111 Ų | 111 | 94.4 Ų | 94.4 | 48% | 0.483 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 172.3 | -75.7 | 168.4 | 176.8 | 158.2 | 0 | 112.6 | D538 T545 G546 | D538-K542 WeakPolarHBondContact O-CB 3.45Å; D538-K542 WeakPolarHBondContact O-CG 3.19Å; D538-K542 PolarHBondContact O-N 3.23Å; D538-K542 WeakPolarHBondContact OD1-CE 3.44Å; D538-K542 IonicContact OD1-NZ 2.65Å; D538-K542 PolarHBondContact OD1-NZ 2.71Å; D538-K542 IonicContact OD2-NZ 2.75Å; D538-K542 PolarHBondContact OD2-NZ 3.08Å; K542-T545 WeakPolarHBondContact CA-OG1 3.46Å; K542-T545 PolarHBondContact O-OG1 3.31Å; K542-G546 PolarHBondContact O-N 2.91Å |
| 543 | S | 64.2 | Low | 50.3 | Low | 73 Ų | 73 | 93.4 Ų | 93.4 | 51% | 0.51 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.5 | -46 | 173.5 | -166.9 | 0 | 0 | 0 | 0 | 111.9 | A539 L540 T547 | A539-S543 WeakPolarHBondContact O-CB 3.5Å; A539-S543 PolarHBondContact O-N 3.1Å; L540-S543 WeakPolarHBondContact O-CB 3.42Å; L540-S543 PolarHBondContact O-N 2.71Å; S543-T547 WeakPolarHBondContact O-CB 3.48Å; S543-T547 PolarHBondContact O-N 3.34Å; S543-T547 PolarHBondContact O-OG1 3.19Å |
| 544 | C | 55.2 | Low | 50.2 | Low | 73 Ų | 73 | 85.4 Ų | 85.4 | 49% | 0.493 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -67.6 | -44.4 | 179.5 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | L540 F541 T547 L548 | L540-C544 PolarHBondContact O-N 2.97Å; L540-C544 PolarHBondContact O-SG 2.89Å; L540-C544 VanDerWaalsContact O-SG 3.35Å; F541-C544 PolarHBondContact O-N 3.17Å; C544-T547 PolarHBondContact O-N 3.1Å; C544-L548 WeakPolarHBondContact O-CB 3.4Å; C544-L548 WeakPolarHBondContact O-CG 3.31Å; C544-L548 PolarHBondContact O-N 3.42Å |
| 545 | T | 59 | Low | 50 | Low | 60 Ų | 60 | 85.7 Ų | 85.7 | 37% | 0.368 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 177.1 | 48.7 | 0 | 0 | 0 | 0 | 112.5 | F541 K542 L548 S549 | F541-T545 HydrophobicContact CD1-CG2 4.2Å; F541-T545 HydrophobicContact CE1-CG2 3.79Å; F541-T545 HydrophobicContact CE2-CG2 4.34Å; F541-T545 HydrophobicContact CZ-CG2 3.87Å; F541-T545 WeakPolarHBondContact O-CB 3.29Å; F541-T545 WeakPolarHBondContact O-CG2 3.07Å; F541-T545 PolarHBondContact O-N 2.76Å; F541-T545 PolarHBondContact O-OG1 2.93Å; K542-T545 WeakPolarHBondContact CA-OG1 3.46Å; K542-T545 PolarHBondContact O-OG1 3.31Å; T545-L548 PolarHBondContact O-N 2.77Å; T545-S549 PolarHBondContact O-N 3.43Å |
| 546 | G | 57.8 | Low | 49.6 | Very low | 29 Ų | 29 | 81.9 Ų | 81.9 | 30% | 0.299 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K542 L548 S549 E550 | K542-G546 PolarHBondContact O-N 2.91Å; G546-L548 VanDerWaalsContact C-N 3.32Å; G546-L548 PolarHBondContact O-N 3.4Å; G546-S549 PolarHBondContact O-N 2.91Å; G546-S549 PolarHBondContact O-OG 3.03Å; G546-E550 PolarHBondContact O-N 2.63Å |
| 547 | T | 54.9 | Low | 49.4 | Very low | 78 Ų | 78 | 79.7 Ų | 79.7 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.7 | -39.2 | 175.9 | -51 | 0 | 0 | 0 | 0 | 111.3 | S543 C544 L551 | S543-T547 WeakPolarHBondContact O-CB 3.48Å; S543-T547 PolarHBondContact O-N 3.34Å; S543-T547 PolarHBondContact O-OG1 3.19Å; C544-T547 PolarHBondContact O-N 3.1Å; T547-L551 HydrophobicContact CG2-CD1 4.28Å; T547-L551 WeakPolarHBondContact O-CB 3.37Å; T547-L551 VanDerWaalsContact O-CG 3.28Å; T547-L551 WeakPolarHBondContact O-CG 3.26Å; T547-L551 PolarHBondContact O-N 3.37Å |
| 548 | L | 45.1 | Very low | 49.2 | Very low | 94 Ų | 94 | 84.3 Ų | 84.3 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.5 | -37 | 174.9 | -73.1 | 170.2 | 0 | 0 | 0 | 112.3 | C544 T545 G546 L551 Y552 | C544-L548 WeakPolarHBondContact O-CB 3.4Å; C544-L548 WeakPolarHBondContact O-CG 3.31Å; C544-L548 PolarHBondContact O-N 3.42Å; T545-L548 PolarHBondContact O-N 2.77Å; G546-L548 VanDerWaalsContact C-N 3.32Å; G546-L548 PolarHBondContact O-N 3.4Å; L548-L551 PolarHBondContact O-N 3.34Å; L548-Y552 WeakPolarHBondContact O-CB 3.39Å; L548-Y552 PolarHBondContact O-N 3.45Å |
| 549 | S | 51.2 | Low | 48.6 | Very low | 58 Ų | 58 | 92 Ų | 92 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 176.4 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | T545 G546 Y552 I553 | T545-S549 PolarHBondContact O-N 3.43Å; G546-S549 PolarHBondContact O-N 2.91Å; G546-S549 PolarHBondContact O-OG 3.03Å; S549-Y552 PolarHBondContact O-N 2.79Å; S549-I553 WeakPolarHBondContact O-CB 3.04Å; S549-I553 VanDerWaalsContact O-CG1 3.26Å; S549-I553 WeakPolarHBondContact O-CG1 3.4Å; S549-I553 PolarHBondContact O-N 3.02Å |
| 550 | E | 47.6 | Very low | 47.4 | Very low | 154 Ų | 154 | 98.6 Ų | 98.6 | 72% | 0.72 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 171.8 | -73.8 | -163.1 | 175.9 | 0 | 0 | 112.2 | G546 Y552 I553 G554 | G546-E550 PolarHBondContact O-N 2.63Å; E550-Y552 VanDerWaalsContact C-N 3.3Å; E550-Y552 PolarHBondContact O-N 2.84Å; E550-I553 PolarHBondContact O-N 3.3Å; E550-G554 PolarHBondContact O-N 3.23Å |
| 551 | L | 42.5 | Very low | 46.6 | Very low | 106 Ų | 106 | 98.2 Ų | 98.2 | 56% | 0.555 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.9 | -35.2 | 173.2 | -75.6 | 168.7 | 0 | 0 | 0 | 112.5 | T547 L548 S555 | T547-L551 HydrophobicContact CG2-CD1 4.28Å; T547-L551 WeakPolarHBondContact O-CB 3.37Å; T547-L551 VanDerWaalsContact O-CG 3.28Å; T547-L551 WeakPolarHBondContact O-CG 3.26Å; T547-L551 PolarHBondContact O-N 3.37Å; L548-L551 PolarHBondContact O-N 3.34Å; L551-S555 WeakPolarHBondContact O-CB 3.33Å; L551-S555 PolarHBondContact O-N 2.79Å; L551-S555 PolarHBondContact O-OG 3.48Å |
| 552 | Y | 38.9 | Very low | 45.8 | Very low | 146 Ų | 146 | 102.4 Ų | 102.4 | 57% | 0.573 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.4 | -39.6 | 177.9 | -153.9 | -96.6 | 0 | 0 | 0 | 112.2 | Y436 L548 S549 E550 T556 | Y436-Y552 PolarHBondContact OH-OH 3Å; L548-Y552 WeakPolarHBondContact O-CB 3.39Å; L548-Y552 PolarHBondContact O-N 3.45Å; S549-Y552 PolarHBondContact O-N 2.79Å; E550-Y552 VanDerWaalsContact C-N 3.3Å; E550-Y552 PolarHBondContact O-N 2.84Å; Y552-T556 WeakPolarHBondContact O-CG2 3.45Å; Y552-T556 PolarHBondContact O-N 3.08Å; Y552-T556 PolarHBondContact O-OG1 2.91Å |
| 553 | I | 46 | Very low | 44.3 | Very low | 108 Ų | 108 | 105 Ų | 105 | 55% | 0.554 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.2 | -39.9 | 175.7 | -66.6 | 165.9 | 0 | 0 | 0 | 110.6 | S549 E550 T556 S557 | S549-I553 WeakPolarHBondContact O-CB 3.04Å; S549-I553 VanDerWaalsContact O-CG1 3.26Å; S549-I553 WeakPolarHBondContact O-CG1 3.4Å; S549-I553 PolarHBondContact O-N 3.02Å; E550-I553 PolarHBondContact O-N 3.3Å; I553-T556 PolarHBondContact O-N 2.99Å; I553-T556 PolarHBondContact O-OG1 2.68Å; I553-S557 VanDerWaalsContact O-CB 3.31Å; I553-S557 WeakPolarHBondContact O-CB 3.26Å; I553-S557 PolarHBondContact O-N 2.91Å; I553-S557 PolarHBondContact O-OG 2.92Å |
| 554 | G | 35.7 | Very low | 42.8 | Very low | 24 Ų | 24 | 107 Ų | 107 | 25% | 0.247 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -60.1 | -54 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E550 T556 S557 E558 | E550-G554 PolarHBondContact O-N 3.23Å; G554-T556 PolarHBondContact O-N 2.78Å; G554-S557 PolarHBondContact O-N 3.15Å; G554-S557 PolarHBondContact O-OG 3.38Å; G554-E558 PolarHBondContact O-N 2.93Å |
| 555 | S | 38.5 | Very low | 41.6 | Very low | 73 Ų | 73 | 107.6 Ų | 107.6 | 51% | 0.51 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -59.3 | -22.1 | 179.7 | -62.3 | 0 | 0 | 0 | 0 | 114.3 | L551 | L551-S555 WeakPolarHBondContact O-CB 3.33Å; L551-S555 PolarHBondContact O-N 2.79Å; L551-S555 PolarHBondContact O-OG 3.48Å |
| 556 | T | 36.8 | Very low | 40.3 | Very low | 93 Ų | 93 | 112.6 Ų | 112.6 | 57% | 0.571 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -98.4 | -19.5 | 177 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | Y552 I553 G554 | Y552-T556 WeakPolarHBondContact O-CG2 3.45Å; Y552-T556 PolarHBondContact O-N 3.08Å; Y552-T556 PolarHBondContact O-OG1 2.91Å; I553-T556 PolarHBondContact O-N 2.99Å; I553-T556 PolarHBondContact O-OG1 2.68Å; G554-T556 PolarHBondContact O-N 2.78Å |
| 557 | S | 38.6 | Very low | 39.2 | Very low | 68 Ų | 68 | 119.6 Ų | 119.6 | 48% | 0.476 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -94.5 | -37 | 178.4 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | I553 G554 R559 K560 | I553-S557 VanDerWaalsContact O-CB 3.31Å; I553-S557 WeakPolarHBondContact O-CB 3.26Å; I553-S557 PolarHBondContact O-N 2.91Å; I553-S557 PolarHBondContact O-OG 2.92Å; G554-S557 PolarHBondContact O-N 3.15Å; G554-S557 PolarHBondContact O-OG 3.38Å; S557-R559 PolarHBondContact O-N 2.85Å; S557-K560 PolarHBondContact O-N 3Å; S557-K560 VanDerWaalsContact O-N 3.1Å |
| 558 | E | 38.4 | Very low | 38.2 | Very low | 137 Ų | 137 | 120.2 Ų | 120.2 | 64% | 0.64 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -60.4 | -32.4 | 177.7 | -71.2 | -170.5 | 126 | 0 | 0 | 112.2 | G554 K560 A561 | G554-E558 PolarHBondContact O-N 2.93Å; E558-K560 PolarHBondContact O-N 3.41Å; E558-A561 PolarHBondContact O-N 3.31Å |
| 559 | R | 37.5 | Very low | 37.8 | Very low | 225 Ų | 225 | 125.2 Ų | 125.2 | 85% | 0.849 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -67.7 | 8.6 | 176.2 | -67.9 | -172.1 | 173.9 | -168 | -0.1 | 115.3 | S557 | S557-R559 PolarHBondContact O-N 2.85Š|
| 560 | K | 37.8 | Very low | 37 | Very low | 198 Ų | 198 | 134.4 Ų | 134.4 | 86% | 0.861 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -124.7 | -0.6 | 170.8 | -150.4 | 171.2 | -178.4 | 178.9 | 0 | 114.4 | S557 E558 | S557-K560 PolarHBondContact O-N 3Å; S557-K560 VanDerWaalsContact O-N 3.1Å; E558-K560 PolarHBondContact O-N 3.41Å |
| 561 | A | 35.6 | Very low | 36.5 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 59% | 0.587 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -34.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E558 N563 | E558-A561 PolarHBondContact O-N 3.31Å; A561-N563 PolarHBondContact O-N 2.7Å |
| 562 | E | 35.3 | Very low | 36.1 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 69.8 | -174.9 | -60.3 | -165.9 | 133.8 | 0 | 0 | 113.5 | ||
| 563 | N | 34 | Very low | 36 | Very low | 166 Ų | 166 | 135 Ų | 135 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.5 | 11.3 | 171.2 | -113.9 | -52.4 | 0 | 0 | 0 | 116.8 | A561 | A561-N563 PolarHBondContact O-N 2.7Š|
| 564 | S | 32.9 | Very low | 35.5 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -116.6 | 2 | -175.6 | 59.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 565 | A | 30.2 | Very low | 35.6 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | -136.7 | 48.5 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 566 | F | 30.9 | Very low | 35.8 | Very low | 166 Ų | 166 | 138.6 Ų | 138.6 | 73% | 0.728 | 77% | 0.767 | S | S | * | * | trans | -146.9 | 65.4 | 170.6 | -118.8 | -72 | 0 | 0 | 0 | 115.5 | Y457 | Y457-F566 HydrophobicContact CE2-CZ 4.5Š| ||
| 567 | I | 33.9 | Very low | 35.9 | Very low | 175 Ų | 175 | 143 Ų | 143 | 90% | 0.897 | 78% | 0.781 | S | S | * | * | trans | -87.4 | 105.1 | 162.3 | -61.1 | 178.8 | 0 | 0 | 0 | 108.5 | ||||
| 568 | S | 34.2 | Very low | 36.1 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | trans | -80.8 | 128.9 | 176.4 | -72.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 569 | K | 37.3 | Very low | 36.3 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -62.7 | 147.7 | 173.5 | -68.6 | 179.9 | 175.5 | 179.8 | 0 | 112.1 | ||||
| 570 | R | 34 | Very low | 36.7 | Very low | 251 Ų | 251 | 139.2 Ų | 139.2 | 95% | 0.947 | 79% | 0.792 | S | S | * | * | trans | -128.6 | 146.2 | 131.3 | -69.6 | -169.1 | -175.7 | 178.5 | 2.8 | 108.1 | ||||
| 571 | A | 36.5 | Very low | 36.9 | Very low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -109.2 | 169.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 572 | C | 35.9 | Very low | 37.6 | Very low | 134 Ų | 134 | 140 Ų | 140 | 91% | 0.905 | 80% | 0.8 | S | S | * | * | trans | -126.2 | 147.3 | 155.8 | -69.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 573 | E | 36.7 | Very low | 38 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | trans | -112.8 | 163.2 | -172.6 | -57.5 | 171.8 | 135.1 | 0 | 0 | 110.4 | ||||
| 574 | G | 34.6 | Very low | 38.7 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | trans | 151.3 | 114.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 575 | S | 38.7 | Very low | 39.3 | Very low | 119 Ų | 119 | 135.7 Ų | 135.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | 62.9 | 133.8 | 171.4 | -56.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 576 | A | 41.6 | Very low | 39.9 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | cis | 72.2 | 132.7 | 41.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 577 | E | 40.1 | Very low | 40.6 | Very low | 185 Ų | 185 | 136 Ų | 136 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | cis | -140.5 | 141.9 | 16.6 | -64.9 | 177.5 | 109.5 | 0 | 0 | 110.6 | ||||
| 578 | S | 41.7 | Very low | 40.8 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | 86.1 | 155.7 | 100.4 | -163.2 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 579 | L | 43.6 | Very low | 41.2 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 80% | 0.801 | 83% | 0.826 | S | S | * | * | trans | 68.4 | 118.7 | 179.8 | -55.6 | 166.1 | 0 | 0 | 0 | 115.4 | ||||
| 580 | S | 44.4 | Very low | 41.5 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 64% | 0.643 | 82% | 0.82 | S | S | * | * | cis | 76.8 | 134.3 | 49.5 | 82.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 581 | D | 43.5 | Very low | 42.1 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | cis | -164.4 | -166.9 | 4.7 | -146 | -45.3 | 0 | 0 | 0 | 110.6 | ||||
| 582 | V | 49.4 | Very low | 42.3 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | 84.9 | 134.9 | 165.4 | -166.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 583 | A | 45 | Very low | 42.8 | Very low | 90 Ų | 90 | 134.8 Ų | 134.8 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | trans | -137 | -162.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 584 | P | 47.2 | Very low | 43.4 | Very low | 124 Ų | 124 | 132 Ų | 132 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | -123.5 | 171 | -124.4 | 37.3 | -18.4 | 0 | 0 | 0 | 116.9 | |||||
| 585 | T | 45 | Very low | 43.7 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 91% | 0.908 | 81% | 0.811 | S | S | * | * | trans | -139.9 | 156 | 170.7 | 39.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 586 | L | 43.9 | Very low | 43.8 | Very low | 185 Ų | 185 | 132.4 Ų | 132.4 | 97% | 0.969 | 81% | 0.813 | S | S | * | * | trans | -87.6 | 158.5 | -166.6 | -64.4 | 128.2 | 0 | 0 | 0 | 115.7 | ||||
| 587 | G | 45.3 | Very low | 44 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | 171 | 89 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 588 | R | 39.3 | Very low | 44.3 | Very low | 262 Ų | 262 | 130.3 Ų | 130.3 | 99% | 0.989 | 81% | 0.808 | S | S | * | * | 60 | 84.9 | 75.5 | -158.6 | -179.4 | -152.9 | -112.3 | 3 | 113.7 | |||||
| 589 | G | 42.5 | Very low | 44.1 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -142.6 | 146.2 | 165 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 590 | S | 43.3 | Very low | 44 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | -129.8 | 142.1 | -173.6 | 178.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 591 | H | 46.9 | Very low | 43.5 | Very low | 187 Ų | 187 | 135.8 Ų | 135.8 | 87% | 0.866 | 82% | 0.822 | S | S | * | * | trans | -155.4 | 152.5 | 135.6 | -121 | -87.1 | 0 | 0 | 0 | 110.6 | ||||
| 592 | T | 40.7 | Very low | 43.2 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 69% | 0.693 | 82% | 0.818 | S | S | * | * | trans | -99.9 | 149.8 | -176.3 | 51.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 593 | D | 46.5 | Very low | 42.6 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -148.5 | 161.3 | 141 | -135 | -34.9 | 0 | 0 | 0 | 112.2 | ||||
| 594 | V | 48.8 | Very low | 42.5 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -111.3 | 117.9 | -162.7 | 178.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 595 | G | 41.2 | Very low | 42.3 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 81% | 0.805 | S | S | * | * | trans | -138.2 | 101.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 596 | S | 40.6 | Very low | 41.9 | Very low | 124 Ų | 124 | 134.3 Ų | 134.3 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | trans | -77.8 | 129.3 | 179.7 | -171.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 597 | S | 45.6 | Very low | 41.8 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -142.8 | 146.2 | 169.2 | -169.4 | 0 | 0 | 0 | 0 | 110.5 | N599 | S597-N599 PolarHBondContact O-N 3.42Š| ||
| 598 | V | 46.6 | Very low | 41.3 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -90 | 111.1 | -163 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | K600 | V598-K600 VanDerWaalsContact C-N 3.29Å; V598-K600 HydrophobicContact CG1-CG 4.36Å; V598-K600 PolarHBondContact O-N 2.92Å | ||
| 599 | N | 38 | Very low | 41.1 | Very low | 162 Ų | 162 | 125.4 Ų | 125.4 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -67.3 | 84.4 | 165.7 | -73.2 | -19.5 | 0 | 0 | 0 | 110.5 | S597 S601 | S597-N599 PolarHBondContact O-N 3.42Å; N599-S601 PolarHBondContact O-N 3.22Å | ||
| 600 | K | 40.8 | Very low | 41.2 | Very low | 194 Ų | 194 | 124.1 Ų | 124.1 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | -69 | 101.7 | 168.2 | -99.8 | -173.3 | 173.7 | -177.5 | 0 | 109.3 | V598 A602 | V598-K600 VanDerWaalsContact C-N 3.29Å; V598-K600 HydrophobicContact CG1-CG 4.36Å; V598-K600 PolarHBondContact O-N 2.92Å; K600-A602 VanDerWaalsContact C-N 3.34Å; K600-A602 PolarHBondContact O-N 3.49Å | ||
| 601 | S | 34 | Very low | 41 | Very low | 112 Ų | 112 | 123.5 Ų | 123.5 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | -63.9 | 91.5 | 170 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | N599 A603 | N599-S601 PolarHBondContact O-N 3.22Å; S601-A603 PolarHBondContact O-N 3.42Å; S601-A603 VanDerWaalsContact O-N 3.08Å | ||
| 602 | A | 36.6 | Very low | 40.9 | Very low | 87 Ų | 87 | 119 Ų | 119 | 72% | 0.719 | 73% | 0.727 | S | S | * | * | trans | -78.3 | 78.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | K600 | K600-A602 VanDerWaalsContact C-N 3.34Å; K600-A602 PolarHBondContact O-N 3.49Å | ||
| 603 | A | 37.2 | Very low | 41.4 | Very low | 58 Ų | 58 | 121.7 Ų | 121.7 | 48% | 0.479 | 73% | 0.725 | S | S | . | * | trans | -56.6 | 146.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | S601 F605 | S601-A603 PolarHBondContact O-N 3.42Å; S601-A603 VanDerWaalsContact O-N 3.08Å; A603-F605 PolarHBondContact O-N 3.14Å; A603-F605 VanDerWaalsContact O-N 3.14Å | ||
| 604 | P | 42.9 | Very low | 42 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 81% | 0.812 | 72% | 0.716 | S | S | * | * | trans | -54.6 | 126 | 170.1 | 25.4 | -33.5 | 0 | 0 | 0 | 107.5 | H606 | P604-H606 PolarHBondContact O-N 3.12Š| ||
| 605 | F | 43.9 | Very low | 43 | Very low | 184 Ų | 184 | 114.3 Ų | 114.3 | 81% | 0.807 | 68% | 0.684 | S | S | * | * | trans | -64.3 | 99.5 | -168.7 | -77.6 | -84.2 | 0 | 0 | 0 | 110.2 | A603 L607 | A603-F605 PolarHBondContact O-N 3.14Å; A603-F605 VanDerWaalsContact O-N 3.14Å; F605-L607 PolarHBondContact O-N 2.75Å | ||
| 606 | H | 35.3 | Very low | 44.7 | Very low | 162 Ų | 162 | 116 Ų | 116 | 75% | 0.75 | 67% | 0.67 | S | S | * | * | trans | -66.6 | 85.5 | 162 | -162.3 | -67.8 | 0 | 0 | 0 | 106.1 | P604 S608 | P604-H606 PolarHBondContact O-N 3.12Å; H606-S608 PolarHBondContact O-N 2.65Å | ||
| 607 | L | 42.5 | Very low | 46.6 | Very low | 116 Ų | 116 | 114 Ų | 114 | 61% | 0.607 | 65% | 0.647 | S | S | * | * | trans | -54.9 | 100.3 | 164.2 | -80.9 | 108.3 | 0 | 0 | 0 | 105.7 | F605 T609 | F605-L607 PolarHBondContact O-N 2.75Å; L607-T609 WeakPolarHBondContact O-CA 3.48Å; L607-T609 PolarHBondContact O-N 3.4Å | ||
| 608 | S | 34.5 | Very low | 48 | Very low | 101 Ų | 101 | 113.4 Ų | 113.4 | 71% | 0.706 | 63% | 0.632 | S | S | * | * | trans | -60 | 106.1 | 176.9 | -66.4 | 0 | 0 | 0 | 0 | 105.3 | H606 | H606-S608 PolarHBondContact O-N 2.65Š| ||
| 609 | T | 35.3 | Very low | 49.9 | Very low | 114 Ų | 114 | 111 Ų | 111 | 70% | 0.699 | 62% | 0.615 | S | S | * | * | trans | -44.4 | 108.9 | -152.7 | -50 | 0 | 0 | 0 | 0 | 110.1 | L607 S611 | L607-T609 WeakPolarHBondContact O-CA 3.48Å; L607-T609 PolarHBondContact O-N 3.4Å; T609-S611 PolarHBondContact O-N 2.59Å | ||
| 610 | P | 45.2 | Very low | 52.4 | Low | 56 Ų | 56 | 103.3 Ų | 103.3 | 36% | 0.364 | 57% | 0.574 | S | S | . | * | trans | -56.4 | 121.3 | 179.9 | 22.8 | -31.8 | 0 | 0 | 0 | 106.1 | S612 | P610-S612 PolarHBondContact O-N 2.84Š| ||
| 611 | S | 38.6 | Very low | 54.7 | Low | 91 Ų | 91 | 99.6 Ų | 99.6 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | trans | -46.5 | 118.3 | -163.8 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | T609 R613 | T609-S611 PolarHBondContact O-N 2.59Å; S611-R613 PolarHBondContact O-N 2.82Å | ||
| 612 | S | 44.4 | Very low | 57.5 | Low | 92 Ų | 92 | 100.5 Ų | 100.5 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | trans | -75.3 | 56.9 | -169.1 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | P610 V614 | P610-S612 PolarHBondContact O-N 2.84Å; S612-V614 PolarHBondContact O-N 3.4Å; S612-V614 VanDerWaalsContact O-N 3.15Å | ||
| 613 | R | 51.5 | Low | 60.3 | Low | 171 Ų | 171 | 96.8 Ų | 96.8 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | trans | -51.9 | 110.1 | 145.4 | -63.9 | 177.5 | 172.1 | -169.9 | -4.6 | 106 | S611 L615 | S611-R613 PolarHBondContact O-N 2.82Å; R613-L615 PolarHBondContact O-N 3.36Å | ||
| 614 | V | 59.2 | Low | 63.1 | Low | 115 Ų | 115 | 96.7 Ų | 96.7 | 70% | 0.697 | 51% | 0.514 | S | S | * | . | trans | -54.5 | 113.4 | 165.1 | 176.8 | 0 | 0 | 0 | 0 | 105.7 | S612 K616 | S612-V614 PolarHBondContact O-N 3.4Å; S612-V614 VanDerWaalsContact O-N 3.15Å; V614-K616 VanDerWaalsContact C-N 3.32Å; V614-K616 PolarHBondContact O-N 3.22Å | ||
| 615 | L | 69.8 | Low | 65.7 | Low | 30 Ų | 30 | 92.1 Ų | 92.1 | 16% | 0.157 | 48% | 0.484 | C | S | . | . | trans | -66.1 | 92.7 | -170.8 | -68.9 | -179 | 0 | 0 | 0 | 109.8 | R613 Q617 W623 E627 Q630 W631 | R613-L615 PolarHBondContact O-N 3.36Å; L615-Q617 PolarHBondContact O-N 3.49Å; L615-Q617 VanDerWaalsContact O-N 3.14Å; L615-W623 HydrophobicContact CB-CZ2 4.12Å; L615-E627 HydrophobicContact CD1-CB 4.46Å; L615-E627 VanDerWaalsContact CD1-O 3.26Å; L615-E627 WeakPolarHBondContact CD1-O 3.37Å; L615-E627 HydrophobicContact CD2-CB 3.88Å; L615-E627 HydrophobicContact CD2-CG 3.92Å; L615-Q630 HydrophobicContact CD1-CB 4.13Å; L615-Q630 HydrophobicContact CD1-CG 4.09Å; L615-W631 HydrophobicContact CD1-CB 3.96Å | ||
| 616 | K | 76.2 | Confident | 68.2 | Low | 110 Ų | 110 | 88.7 Ų | 88.7 | 48% | 0.478 | 47% | 0.471 | S | S | . | . | trans | -60.1 | 117.5 | 176.5 | -80.6 | 178.7 | 157.3 | -122.2 | 0 | 108.5 | V614 E618 D619 W623 | V614-K616 VanDerWaalsContact C-N 3.32Å; V614-K616 PolarHBondContact O-N 3.22Å; K616-E618 HydrophobicContact CB-CB 4.41Å; K616-E618 HydrophobicContact CB-CG 4.29Å; K616-E618 IonicContact NZ-OE2 2.68Å; K616-E618 PolarHBondContact NZ-OE2 3Å; K616-E618 PolarHBondContact O-N 3.14Å; K616-D619 HydrophobicContact CB-CB 4.15Å; K616-D619 WeakPolarHBondContact CB-OD2 3.34Å; K616-D619 WeakPolarHBondContact CD-OD2 3.49Å; K616-D619 PolarHBondContact O-N 3.06Å; K616-W623 PolarHBondContact O-NE1 3.31Å | ||
| 617 | Q | 80.6 | Confident | 71.1 | Confident | 84 Ų | 84 | 82.4 Ų | 82.4 | 39% | 0.393 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -0.6 | 171.9 | -61.2 | -176.6 | 2.9 | 0 | 0 | 112.5 | L615 V620 L685 V689 | L615-Q617 PolarHBondContact O-N 3.49Å; L615-Q617 VanDerWaalsContact O-N 3.14Å; Q617-V620 WeakPolarHBondContact O-CG2 3.43Å; Q617-L685 HydrophobicContact CB-CD1 3.73Å; Q617-L685 HydrophobicContact CG-CD1 3.67Å; Q617-V689 WeakPolarHBondContact O-CG2 3.46Å |
| 618 | E | 74.5 | Confident | 73.7 | Confident | 97 Ų | 97 | 76.9 Ų | 76.9 | 45% | 0.453 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -38.7 | 170.4 | -33.9 | -171.6 | 109.1 | 0 | 0 | 110.9 | K616 V620 N692 | K616-E618 HydrophobicContact CB-CB 4.41Å; K616-E618 HydrophobicContact CB-CG 4.29Å; K616-E618 IonicContact NZ-OE2 2.68Å; K616-E618 PolarHBondContact NZ-OE2 3Å; K616-E618 PolarHBondContact O-N 3.14Å; E618-V620 PolarHBondContact O-N 2.79Å; E618-N692 WeakPolarHBondContact CB-ND2 3.3Å; E618-N692 VanDerWaalsContact CG-ND2 3.3Å; E618-N692 WeakPolarHBondContact CG-ND2 3.39Å; E618-N692 PolarHBondContact OE1-ND2 3.06Å |
| 619 | D | 86.9 | Confident | 76.6 | Confident | 71 Ų | 71 | 72.5 Ų | 72.5 | 38% | 0.38 | 38% | 0.382 | S | S | . | . | trans | -94.2 | 18 | -170.2 | -67.2 | -43.8 | 0 | 0 | 0 | 113.2 | K616 K621 L622 | K616-D619 HydrophobicContact CB-CB 4.15Å; K616-D619 WeakPolarHBondContact CB-OD2 3.34Å; K616-D619 WeakPolarHBondContact CD-OD2 3.49Å; K616-D619 PolarHBondContact O-N 3.06Å; D619-K621 PolarHBondContact O-N 2.87Å; D619-L622 WeakPolarHBondContact O-CB 3.33Å; D619-L622 PolarHBondContact O-N 3.02Å | ||
| 620 | V | 90.6 | Very high | 79.5 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -56.1 | -26.9 | -175.5 | -174.2 | 0 | 0 | 0 | 0 | 113 | Q617 E618 L622 W623 G653 I657 L685 V689 | Q617-V620 WeakPolarHBondContact O-CG2 3.43Å; E618-V620 PolarHBondContact O-N 2.79Å; V620-L622 PolarHBondContact O-N 3.44Å; V620-L622 VanDerWaalsContact O-N 3.11Å; V620-W623 HydrophobicContact CB-CD2 4.33Å; V620-W623 HydrophobicContact CG1-CD2 4.13Å; V620-W623 HydrophobicContact CG1-CE3 4.01Å; V620-W623 HydrophobicContact CG1-CZ3 4.24Å; V620-W623 HydrophobicContact CG2-CD2 4.31Å; V620-W623 HydrophobicContact CG2-CH2 3.88Å; V620-W623 HydrophobicContact CG2-CZ2 3.65Å; V620-W623 HydrophobicContact CG2-CZ3 4.33Å; V620-W623 PolarHBondContact O-N 3.32Å; V620-G653 CarbonylContact O-C 3.56Å; V620-G653 WeakPolarHBondContact O-CA 3.18Å; V620-I657 HydrophobicContact CG1-CG2 3.46Å; V620-I657 VanDerWaalsContact CG1-CG2 3.46Å; V620-L685 HydrophobicContact CG1-CD2 4.06Å; V620-L685 HydrophobicContact CG2-CD1 3.71Å; V620-L685 HydrophobicContact CG2-CD2 4.21Å; V620-L685 HydrophobicContact CG2-CG 3.96Å; V620-V689 HydrophobicContact CB-CG2 3.82Å; V620-V689 HydrophobicContact CG2-CG2 3.54Å |
| 621 | K | 89.9 | Confident | 81.9 | Confident | 115 Ų | 115 | 67.4 Ų | 67.4 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | G | 310 helix | trans | -63.8 | -11.4 | 174.3 | -62 | 179.8 | -176.9 | 175.8 | 0 | 113.7 | D619 | D619-K621 PolarHBondContact O-N 2.87Š|
| 622 | L | 92.8 | Very high | 84.6 | Confident | 132 Ų | 132 | 63.3 Ų | 63.3 | 69% | 0.691 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -113 | -6.8 | -178.6 | -57.8 | 177.2 | 0 | 0 | 0 | 113.7 | D619 V620 T624 | D619-L622 WeakPolarHBondContact O-CB 3.33Å; D619-L622 PolarHBondContact O-N 3.02Å; V620-L622 PolarHBondContact O-N 3.44Å; V620-L622 VanDerWaalsContact O-N 3.11Å; L622-T624 PolarHBondContact O-N 3.35Å |
| 623 | W | 95.7 | Very high | 87 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 3% | 0.03 | 30% | 0.304 | C | S | . | . | trans | -66.5 | 130.4 | -173.3 | -67.7 | 0.6 | 0 | 0 | 0 | 112.1 | L615 K616 V620 E627 V628 W631 G653 L685 | L615-W623 HydrophobicContact CB-CZ2 4.12Å; K616-W623 PolarHBondContact O-NE1 3.31Å; V620-W623 HydrophobicContact CB-CD2 4.33Å; V620-W623 HydrophobicContact CG1-CD2 4.13Å; V620-W623 HydrophobicContact CG1-CE3 4.01Å; V620-W623 HydrophobicContact CG1-CZ3 4.24Å; V620-W623 HydrophobicContact CG2-CD2 4.31Å; V620-W623 HydrophobicContact CG2-CH2 3.88Å; V620-W623 HydrophobicContact CG2-CZ2 3.65Å; V620-W623 HydrophobicContact CG2-CZ3 4.33Å; V620-W623 PolarHBondContact O-N 3.32Å; W623-E627 VanDerWaalsContact CA-OE2 3.32Å; W623-E627 WeakPolarHBondContact CA-OE2 3.49Å; W623-E627 HydrophobicContact CB-CB 4.03Å; W623-E627 HydrophobicContact CG-CB 4.31Å; W623-V628 HydrophobicContact CB-CG2 4.23Å; W623-V628 HydrophobicContact CE3-CG2 4.17Å; W623-W631 HydrophobicContact CE3-CB 4.39Å; W623-W631 HydrophobicContact CH2-CB 4.04Å; W623-W631 AromaticContact CH2-CD1 3.22Å; W623-W631 HydrophobicContact CH2-CD2 4.13Å; W623-W631 AromaticContact CH2-CG 3.53Å; W623-W631 HydrophobicContact CH2-CG 3.53Å; W623-W631 AromaticContact CH2-NE1 3.61Å; W623-W631 HydrophobicContact CZ3-CB 3.7Å; W623-W631 AromaticContact CZ3-CD1 3.72Å; W623-W631 AromaticContact CZ3-CD2 3.96Å; W623-W631 HydrophobicContact CZ3-CD2 3.96Å; W623-W631 AromaticContact CZ3-CG 3.49Å; W623-W631 HydrophobicContact CZ3-CG 3.49Å; W623-W631 VanDerWaalsContact CZ3-CG 3.49Å; W623-G653 PolarHBondContact O-N 2.89Å; W623-L685 HydrophobicContact CH2-CD1 3.72Å; W623-L685 HydrophobicContact CH2-CD2 3.88Å; W623-L685 HydrophobicContact CH2-CG 4.44Å; W623-L685 HydrophobicContact CZ2-CD1 4.42Å; W623-L685 HydrophobicContact CZ3-CD1 4.41Å; W623-L685 HydrophobicContact CZ3-CD2 3.7Å | ||
| 624 | T | 96 | Very high | 89 | Confident | 56 Ų | 56 | 60.2 Ų | 60.2 | 34% | 0.344 | 31% | 0.305 | S | S | . | . | trans | -73.8 | 166.5 | 169.8 | 80.9 | 0 | 0 | 0 | 0 | 111.5 | L622 E626 E627 V628 | L622-T624 PolarHBondContact O-N 3.35Å; T624-E626 WeakPolarHBondContact CB-OE2 3.08Å; T624-E626 PolarHBondContact O-N 3.26Å; T624-E626 PolarHBondContact OG1-N 3.01Å; T624-E626 PolarHBondContact OG1-OE2 3.07Å; T624-E627 PolarHBondContact N-OE2 3.32Å; T624-E627 PolarHBondContact O-N 2.83Å; T624-E627 PolarHBondContact OG1-N 2.97Å; T624-V628 PolarHBondContact O-N 2.97Å | ||
| 625 | P | 96.8 | Very high | 90.7 | Very high | 29 Ų | 29 | 57.6 Ų | 57.6 | 19% | 0.188 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -57.1 | -32.1 | 173.6 | -25.9 | 36.3 | 0 | 0 | 0 | 113.7 | V629 L647 I651 D652 | P625-V629 WeakPolarHBondContact O-CG2 3.3Å; P625-V629 PolarHBondContact O-N 3.15Å; P625-L647 HydrophobicContact CB-CD2 3.77Å; P625-I651 WeakPolarHBondContact CA-O 3.29Å; P625-D652 HydrophobicContact CG-CB 4.38Å |
| 626 | E | 96.3 | Very high | 91.8 | Very high | 112 Ų | 112 | 57.8 Ų | 57.8 | 52% | 0.523 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 173.6 | -57.5 | 75.3 | -164.5 | 0 | 0 | 111.8 | T624 V629 Q630 L647 | T624-E626 WeakPolarHBondContact CB-OE2 3.08Å; T624-E626 PolarHBondContact O-N 3.26Å; T624-E626 PolarHBondContact OG1-N 3.01Å; T624-E626 PolarHBondContact OG1-OE2 3.07Å; E626-V629 PolarHBondContact O-N 3.44Å; E626-Q630 WeakPolarHBondContact O-CB 3.46Å; E626-Q630 PolarHBondContact O-N 3.09Å; E626-L647 HydrophobicContact CG-CD2 4.38Å |
| 627 | E | 96.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 56.5 Ų | 56.5 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.5 | -36.3 | 176.4 | -67.3 | 177.1 | 136.2 | 0 | 0 | 111.5 | L615 W623 T624 Q630 W631 | L615-E627 HydrophobicContact CD1-CB 4.46Å; L615-E627 VanDerWaalsContact CD1-O 3.26Å; L615-E627 WeakPolarHBondContact CD1-O 3.37Å; L615-E627 HydrophobicContact CD2-CB 3.88Å; L615-E627 HydrophobicContact CD2-CG 3.92Å; W623-E627 VanDerWaalsContact CA-OE2 3.32Å; W623-E627 WeakPolarHBondContact CA-OE2 3.49Å; W623-E627 HydrophobicContact CB-CB 4.03Å; W623-E627 HydrophobicContact CG-CB 4.31Å; T624-E627 PolarHBondContact N-OE2 3.32Å; T624-E627 PolarHBondContact O-N 2.83Å; T624-E627 PolarHBondContact OG1-N 2.97Å; E627-Q630 PolarHBondContact O-N 3.09Å; E627-W631 WeakPolarHBondContact O-CB 3.42Å; E627-W631 PolarHBondContact O-N 3.46Å |
| 628 | V | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 170.7 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | W623 T624 W631 L632 F646 I651 F656 | W623-V628 HydrophobicContact CB-CG2 4.23Å; W623-V628 HydrophobicContact CE3-CG2 4.17Å; T624-V628 PolarHBondContact O-N 2.97Å; V628-W631 PolarHBondContact O-N 3.05Å; V628-L632 HydrophobicContact CG1-CD1 4.41Å; V628-L632 WeakPolarHBondContact O-CG 3.19Å; V628-L632 PolarHBondContact O-N 3.2Å; V628-F646 HydrophobicContact CG1-CD1 4.34Å; V628-I651 HydrophobicContact CG1-CG2 4.5Å; V628-F656 HydrophobicContact CG1-CB 4.14Å; V628-F656 HydrophobicContact CG1-CD1 4.27Å; V628-F656 HydrophobicContact CG1-CD2 3.45Å; V628-F656 VanDerWaalsContact CG1-CD2 3.45Å; V628-F656 HydrophobicContact CG1-CE2 3.83Å; V628-F656 HydrophobicContact CG1-CG 3.7Å; V628-F656 HydrophobicContact CG1-CZ 4.37Å; V628-F656 HydrophobicContact CG2-CB 4.07Å; V628-F656 HydrophobicContact CG2-CG 4.31Å |
| 629 | V | 96.3 | Very high | 94.4 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 6% | 0.055 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -71.1 | -36.4 | 179.8 | 170 | 0 | 0 | 0 | 0 | 111.8 | P625 E626 W631 L632 H633 H643 F646 L647 | P625-V629 WeakPolarHBondContact O-CG2 3.3Å; P625-V629 PolarHBondContact O-N 3.15Å; E626-V629 PolarHBondContact O-N 3.44Å; V629-W631 VanDerWaalsContact C-N 3.34Å; V629-L632 PolarHBondContact O-N 3.32Å; V629-H633 PolarHBondContact O-N 3.01Å; V629-H643 HydrophobicContact CG1-CB 3.92Å; V629-H643 WeakPolarHBondContact CG1-CD2 3.41Å; V629-H643 VanDerWaalsContact CG1-CG 3.46Å; V629-F646 HydrophobicContact CG2-CB 3.54Å; V629-F646 HydrophobicContact CG2-CG 4.46Å; V629-L647 HydrophobicContact CG2-CD2 4.06Å; V629-L647 HydrophobicContact CG2-CG 4.2Å |
| 630 | Q | 94.9 | Very high | 94.8 | Very high | 46 Ų | 46 | 50.7 Ų | 50.7 | 22% | 0.215 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -40.2 | 170.4 | -176.5 | 175.6 | 7.1 | 0 | 0 | 111.6 | L615 E626 E627 H633 V634 | L615-Q630 HydrophobicContact CD1-CB 4.13Å; L615-Q630 HydrophobicContact CD1-CG 4.09Å; E626-Q630 WeakPolarHBondContact O-CB 3.46Å; E626-Q630 PolarHBondContact O-N 3.09Å; E627-Q630 PolarHBondContact O-N 3.09Å; Q630-H633 PolarHBondContact O-N 3.13Å; Q630-V634 WeakPolarHBondContact O-CG2 3.26Å; Q630-V634 PolarHBondContact O-N 3.31Å; Q630-V634 VanDerWaalsContact O-N 3.08Å |
| 631 | W | 95.6 | Very high | 95 | Very high | 17 Ų | 17 | 56.9 Ų | 56.9 | 6% | 0.064 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 174.2 | -176.9 | 87.3 | 0 | 0 | 0 | 112.4 | L615 W623 E627 V628 V629 V634 T635 F656 A681 L685 | L615-W631 HydrophobicContact CD1-CB 3.96Å; W623-W631 HydrophobicContact CE3-CB 4.39Å; W623-W631 HydrophobicContact CH2-CB 4.04Å; W623-W631 AromaticContact CH2-CD1 3.22Å; W623-W631 HydrophobicContact CH2-CD2 4.13Å; W623-W631 AromaticContact CH2-CG 3.53Å; W623-W631 HydrophobicContact CH2-CG 3.53Å; W623-W631 AromaticContact CH2-NE1 3.61Å; W623-W631 HydrophobicContact CZ3-CB 3.7Å; W623-W631 AromaticContact CZ3-CD1 3.72Å; W623-W631 AromaticContact CZ3-CD2 3.96Å; W623-W631 HydrophobicContact CZ3-CD2 3.96Å; W623-W631 AromaticContact CZ3-CG 3.49Å; W623-W631 HydrophobicContact CZ3-CG 3.49Å; W623-W631 VanDerWaalsContact CZ3-CG 3.49Å; E627-W631 WeakPolarHBondContact O-CB 3.42Å; E627-W631 PolarHBondContact O-N 3.46Å; V628-W631 PolarHBondContact O-N 3.05Å; V629-W631 VanDerWaalsContact C-N 3.34Å; W631-V634 PolarHBondContact O-N 3.33Å; W631-T635 HydrophobicContact CH2-CG2 4.18Å; W631-T635 HydrophobicContact CZ2-CG2 4.44Å; W631-T635 HydrophobicContact CZ3-CG2 4.34Å; W631-T635 WeakPolarHBondContact O-CB 3.28Å; W631-T635 PolarHBondContact O-N 3.12Å; W631-T635 PolarHBondContact O-OG1 3.08Å; W631-F656 AromaticContact CE3-CE1 3.62Å; W631-F656 HydrophobicContact CE3-CE1 3.62Å; W631-F656 AromaticContact CE3-CZ 3.76Å; W631-F656 HydrophobicContact CE3-CZ 3.76Å; W631-F656 HydrophobicContact CH2-CE1 4.21Å; W631-F656 AromaticContact CZ3-CE1 3.47Å; W631-F656 HydrophobicContact CZ3-CE1 3.47Å; W631-F656 VanDerWaalsContact CZ3-CE1 3.47Å; W631-F656 AromaticContact CZ3-CZ 3.53Å; W631-F656 HydrophobicContact CZ3-CZ 3.53Å; W631-A681 HydrophobicContact CH2-CB 3.7Å; W631-A681 HydrophobicContact CZ3-CB 4.29Å; W631-L685 HydrophobicContact CH2-CB 4.35Å; W631-L685 HydrophobicContact CH2-CD2 4.22Å; W631-L685 HydrophobicContact CZ2-CB 4.04Å; W631-L685 HydrophobicContact CZ2-CD1 4.1Å; W631-L685 HydrophobicContact CZ2-CD2 3.96Å; W631-L685 HydrophobicContact CZ2-CG 4.27Å |
| 632 | L | 95.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 175.1 | -77.3 | 168.4 | 0 | 0 | 0 | 111.6 | V628 V629 V634 T635 D636 F639 F646 F656 M678 | V628-L632 HydrophobicContact CG1-CD1 4.41Å; V628-L632 WeakPolarHBondContact O-CG 3.19Å; V628-L632 PolarHBondContact O-N 3.2Å; V629-L632 PolarHBondContact O-N 3.32Å; L632-V634 PolarHBondContact O-N 3.01Å; L632-T635 PolarHBondContact O-N 2.85Å; L632-D636 PolarHBondContact O-N 3.38Å; L632-F639 HydrophobicContact CB-CB 4.28Å; L632-F639 HydrophobicContact CB-CD2 4.21Å; L632-F639 HydrophobicContact CD2-CD2 3.58Å; L632-F639 HydrophobicContact CD2-CE2 4.04Å; L632-F639 HydrophobicContact CD2-CG 4.37Å; L632-F646 HydrophobicContact CD1-CD1 3.91Å; L632-F646 HydrophobicContact CD1-CD2 3.67Å; L632-F646 HydrophobicContact CD1-CE1 3.91Å; L632-F646 HydrophobicContact CD1-CE2 3.66Å; L632-F646 HydrophobicContact CD1-CG 3.81Å; L632-F646 HydrophobicContact CD1-CZ 3.79Å; L632-F656 HydrophobicContact CD1-CE2 4.12Å; L632-F656 HydrophobicContact CD1-CZ 4.5Å; L632-F656 HydrophobicContact CD2-CE2 4.05Å; L632-F656 HydrophobicContact CD2-CZ 3.77Å; L632-F656 HydrophobicContact CG-CE2 4.19Å; L632-F656 HydrophobicContact CG-CZ 4.07Å; L632-M678 HydrophobicContact CD2-CE 4.31Å; L632-M678 HydrophobicContact CD2-CG 4.36Å |
| 633 | H | 94.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 49.7 Ų | 49.7 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.5 | -49.2 | 176.6 | 174.2 | 71.9 | 0 | 0 | 0 | 112.3 | V629 Q630 T635 D636 P637 D640 | V629-H633 PolarHBondContact O-N 3.01Å; Q630-H633 PolarHBondContact O-N 3.13Å; H633-T635 VanDerWaalsContact C-N 3.3Å; H633-T635 PolarHBondContact O-N 3.38Å; H633-D636 CarbonylContact O-C 3.59Å; H633-P637 WeakPolarHBondContact O-CD 3.37Å; H633-P637 WeakPolarHBondContact O-CG 3.2Å; H633-D640 WeakPolarHBondContact CB-OD1 3.36Å; H633-D640 IonicContact CE1-OD1 2.71Å; H633-D640 IonicContact CE1-OD2 2.65Å; H633-D640 PolarHBondContact CE1-OD2 3.41Å; H633-D640 IonicContact CG-OD1 3.38Å; H633-D640 IonicContact ND1-OD1 2.76Å; H633-D640 PolarHBondContact ND1-OD1 3.21Å; H633-D640 IonicContact ND1-OD2 3.74Å; H633-D640 PolarHBondContact ND1-OD2 3.39Å |
| 634 | V | 94 | Very high | 95.4 | Very high | 109 Ų | 109 | 54.5 Ų | 54.5 | 66% | 0.661 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.9 | -29.4 | 179.6 | 172.6 | 0 | 0 | 0 | 0 | 112.3 | Q630 W631 L632 | Q630-V634 WeakPolarHBondContact O-CG2 3.26Å; Q630-V634 PolarHBondContact O-N 3.31Å; Q630-V634 VanDerWaalsContact O-N 3.08Å; W631-V634 PolarHBondContact O-N 3.33Å; L632-V634 PolarHBondContact O-N 3.01Å |
| 635 | T | 93.6 | Very high | 95.5 | Very high | 60 Ų | 60 | 54 Ų | 54 | 37% | 0.368 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -77.9 | -44.3 | -178.4 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | W631 L632 H633 F639 A681 | W631-T635 HydrophobicContact CH2-CG2 4.18Å; W631-T635 HydrophobicContact CZ2-CG2 4.44Å; W631-T635 HydrophobicContact CZ3-CG2 4.34Å; W631-T635 WeakPolarHBondContact O-CB 3.28Å; W631-T635 PolarHBondContact O-N 3.12Å; W631-T635 PolarHBondContact O-OG1 3.08Å; L632-T635 PolarHBondContact O-N 2.85Å; H633-T635 VanDerWaalsContact C-N 3.3Å; H633-T635 PolarHBondContact O-N 3.38Å; T635-F639 HydrophobicContact CG2-CE2 4.49Å; T635-A681 HydrophobicContact CG2-CB 3.82Å |
| 636 | D | 94.7 | Very high | 95.5 | Very high | 34 Ų | 34 | 52.7 Ų | 52.7 | 18% | 0.182 | 27% | 0.274 | C | S | . | . | trans | -157.4 | 106.5 | 173 | -173 | -30.9 | 0 | 0 | 0 | 109.3 | L632 H633 T638 F639 K677 | L632-D636 PolarHBondContact O-N 3.38Å; H633-D636 CarbonylContact O-C 3.59Å; D636-T638 PolarHBondContact O-N 3.12Å; D636-T638 VanDerWaalsContact OD1-CB 3.3Å; D636-T638 WeakPolarHBondContact OD1-CB 3.48Å; D636-T638 WeakPolarHBondContact OD1-CG2 3.46Å; D636-T638 PolarHBondContact OD1-N 3.3Å; D636-T638 PolarHBondContact OD1-OG1 3.36Å; D636-T638 PolarHBondContact OD2-OG1 3.48Å; D636-F639 HydrophobicContact CB-CD1 4.35Å; D636-F639 HydrophobicContact CB-CD2 3.86Å; D636-F639 HydrophobicContact CB-CE1 4.2Å; D636-F639 HydrophobicContact CB-CE2 3.7Å; D636-F639 HydrophobicContact CB-CG 4.2Å; D636-F639 HydrophobicContact CB-CZ 3.88Å; D636-F639 VanDerWaalsContact O-CB 3.29Å; D636-F639 WeakPolarHBondContact O-CB 3.46Å; D636-F639 WeakPolarHBondContact O-CG 3.41Å; D636-F639 PolarHBondContact O-N 3.19Å; D636-K677 IonicContact OD1-NZ 3.93Å; D636-K677 WeakPolarHBondContact OD2-CD 3.49Å; D636-K677 WeakPolarHBondContact OD2-CE 3.32Å; D636-K677 IonicContact OD2-NZ 2.93Å; D636-K677 PolarHBondContact OD2-NZ 3.02Å | ||
| 637 | P | 95.2 | Very high | 95.5 | Very high | 83 Ų | 83 | 49.3 Ų | 49.3 | 54% | 0.539 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -59.1 | -10.1 | -179.9 | -27.4 | 34.8 | 0 | 0 | 0 | 115.3 | H633 F639 D640 | H633-P637 WeakPolarHBondContact O-CD 3.37Å; H633-P637 WeakPolarHBondContact O-CG 3.2Å; P637-F639 PolarHBondContact O-N 3.46Å; P637-D640 PolarHBondContact O-N 3.37Å |
| 638 | T | 95 | Very high | 95.5 | Very high | 58 Ų | 58 | 53.2 Ų | 53.2 | 36% | 0.356 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -69.1 | -12.1 | 168.6 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | D636 K677 | D636-T638 PolarHBondContact O-N 3.12Å; D636-T638 VanDerWaalsContact OD1-CB 3.3Å; D636-T638 WeakPolarHBondContact OD1-CB 3.48Å; D636-T638 WeakPolarHBondContact OD1-CG2 3.46Å; D636-T638 PolarHBondContact OD1-N 3.3Å; D636-T638 PolarHBondContact OD1-OG1 3.36Å; D636-T638 PolarHBondContact OD2-OG1 3.48Å; T638-K677 PolarHBondContact OG1-NZ 3.15Å; T638-K677 VanDerWaalsContact OG1-NZ 3.12Å |
| 639 | F | 95.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 57 Ų | 57 | 2% | 0.022 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -80 | -13.5 | 175.5 | -60.7 | -19.8 | 0 | 0 | 0 | 114.3 | L632 T635 D636 P637 M641 Y642 K677 M678 | L632-F639 HydrophobicContact CB-CB 4.28Å; L632-F639 HydrophobicContact CB-CD2 4.21Å; L632-F639 HydrophobicContact CD2-CD2 3.58Å; L632-F639 HydrophobicContact CD2-CE2 4.04Å; L632-F639 HydrophobicContact CD2-CG 4.37Å; T635-F639 HydrophobicContact CG2-CE2 4.49Å; D636-F639 HydrophobicContact CB-CD1 4.35Å; D636-F639 HydrophobicContact CB-CD2 3.86Å; D636-F639 HydrophobicContact CB-CE1 4.2Å; D636-F639 HydrophobicContact CB-CE2 3.7Å; D636-F639 HydrophobicContact CB-CG 4.2Å; D636-F639 HydrophobicContact CB-CZ 3.88Å; D636-F639 VanDerWaalsContact O-CB 3.29Å; D636-F639 WeakPolarHBondContact O-CB 3.46Å; D636-F639 WeakPolarHBondContact O-CG 3.41Å; D636-F639 PolarHBondContact O-N 3.19Å; P637-F639 PolarHBondContact O-N 3.46Å; F639-M641 PolarHBondContact O-N 2.91Å; F639-Y642 WeakPolarHBondContact O-CA 3.19Å; F639-Y642 WeakPolarHBondContact O-CB 3.42Å; F639-Y642 PolarHBondContact O-N 2.96Å; F639-K677 HydrophobicContact CE1-CB 3.85Å; F639-K677 HydrophobicContact CE1-CD 4.01Å; F639-K677 HydrophobicContact CZ-CB 3.72Å; F639-K677 HydrophobicContact CZ-CD 4.42Å; F639-M678 HydrophobicContact CB-CE 3.83Å; F639-M678 HydrophobicContact CD1-CE 3.58Å; F639-M678 HydrophobicContact CD1-CG 4.07Å; F639-M678 HydrophobicContact CD2-CE 4.16Å; F639-M678 HydrophobicContact CD2-CG 4.19Å; F639-M678 HydrophobicContact CE1-CE 4.12Å; F639-M678 HydrophobicContact CE1-CG 3.63Å; F639-M678 HydrophobicContact CE2-CG 3.76Å; F639-M678 HydrophobicContact CG-CE 3.59Å; F639-M678 HydrophobicContact CG-CG 4.33Å; F639-M678 HydrophobicContact CZ-CB 4.3Å; F639-M678 HydrophobicContact CZ-CG 3.46Å; F639-M678 VanDerWaalsContact CZ-CG 3.46Å |
| 640 | D | 94 | Very high | 95.5 | Very high | 68 Ų | 68 | 60.8 Ų | 60.8 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -55.6 | -29.9 | -177.2 | -69.6 | 3.5 | 0 | 0 | 0 | 113.5 | H633 P637 Y642 H643 | H633-D640 WeakPolarHBondContact CB-OD1 3.36Å; H633-D640 IonicContact CE1-OD1 2.71Å; H633-D640 IonicContact CE1-OD2 2.65Å; H633-D640 PolarHBondContact CE1-OD2 3.41Å; H633-D640 IonicContact CG-OD1 3.38Å; H633-D640 IonicContact ND1-OD1 2.76Å; H633-D640 PolarHBondContact ND1-OD1 3.21Å; H633-D640 IonicContact ND1-OD2 3.74Å; H633-D640 PolarHBondContact ND1-OD2 3.39Å; P637-D640 PolarHBondContact O-N 3.37Å; D640-Y642 PolarHBondContact O-N 3.22Å; D640-H643 WeakPolarHBondContact O-CB 3.24Å; D640-H643 PolarHBondContact O-N 3.14Å |
| 641 | M | 95.4 | Very high | 95.6 | Very high | 129 Ų | 129 | 59.5 Ų | 59.5 | 64% | 0.635 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -62.6 | -12.6 | 174.7 | 70.1 | 178.4 | 70.9 | 0 | 0 | 114 | F639 | F639-M641 PolarHBondContact O-N 2.91Š|
| 642 | Y | 96.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 9% | 0.086 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -106.4 | 0.4 | 176.3 | -53.2 | -65.6 | 0 | 0 | 0 | 113.1 | F639 D640 Q644 L645 F646 I670 H674 M678 | F639-Y642 WeakPolarHBondContact O-CA 3.19Å; F639-Y642 WeakPolarHBondContact O-CB 3.42Å; F639-Y642 PolarHBondContact O-N 2.96Å; D640-Y642 PolarHBondContact O-N 3.22Å; Y642-Q644 PolarHBondContact O-N 2.61Å; Y642-L645 HydrophobicContact CD1-CD2 3.86Å; Y642-L645 VanDerWaalsContact O-CB 3.32Å; Y642-L645 WeakPolarHBondContact O-CB 3.36Å; Y642-L645 PolarHBondContact O-N 3.32Å; Y642-F646 WeakPolarHBondContact O-CD2 3.37Å; Y642-F646 PolarHBondContact O-N 3.3Å; Y642-I670 HydrophobicContact CD1-CD1 4.42Å; Y642-I670 HydrophobicContact CD1-CG1 3.84Å; Y642-I670 HydrophobicContact CE1-CB 4.32Å; Y642-I670 HydrophobicContact CE1-CG1 3.9Å; Y642-I670 HydrophobicContact CE1-CG2 4.17Å; Y642-I670 HydrophobicContact CE2-CG2 4.09Å; Y642-I670 HydrophobicContact CG-CD1 4.47Å; Y642-I670 HydrophobicContact CG-CG1 4.33Å; Y642-H674 HydrophobicContact CE2-CB 3.83Å; Y642-H674 AromaticContact CE2-CG 3.82Å; Y642-H674 AromaticContact CE2-ND1 3.47Å; Y642-H674 WeakPolarHBondContact CE2-ND1 3.43Å; Y642-H674 AromaticContact CZ-ND1 3.61Å; Y642-H674 PolarHBondContact OH-ND1 3.05Å; Y642-M678 HydrophobicContact CD2-CE 3.53Å; Y642-M678 HydrophobicContact CE2-CE 4.23Å; Y642-M678 HydrophobicContact CG-CE 4.15Å |
| 643 | H | 95 | Very high | 95.6 | Very high | 74 Ų | 74 | 61.5 Ų | 61.5 | 34% | 0.343 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -44.7 | -56.3 | 179.3 | 173.9 | -58.5 | 0 | 0 | 0 | 112.5 | V629 D640 L645 F646 L647 | V629-H643 HydrophobicContact CG1-CB 3.92Å; V629-H643 WeakPolarHBondContact CG1-CD2 3.41Å; V629-H643 VanDerWaalsContact CG1-CG 3.46Å; D640-H643 WeakPolarHBondContact O-CB 3.24Å; D640-H643 PolarHBondContact O-N 3.14Å; H643-L645 VanDerWaalsContact C-N 3.3Å; H643-L645 PolarHBondContact O-N 2.9Å; H643-F646 PolarHBondContact O-N 2.87Å; H643-L647 VanDerWaalsContact CE1-CD1 3.48Å; H643-L647 WeakPolarHBondContact CE1-CD1 3.43Å; H643-L647 PolarHBondContact O-N 3.08Å |
| 644 | Q | 95.9 | Very high | 95.6 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 51% | 0.514 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.5 | -33.7 | -178.3 | -166.9 | 60.6 | 43.4 | 0 | 0 | 112.5 | Y642 F646 L647 D648 | Y642-Q644 PolarHBondContact O-N 2.61Å; Q644-F646 PolarHBondContact O-N 2.84Å; Q644-L647 PolarHBondContact O-N 3.35Å; Q644-D648 PolarHBondContact NE2-OD1 3.18Å; Q644-D648 WeakPolarHBondContact O-CB 3.27Å; Q644-D648 PolarHBondContact O-N 3.42Å |
| 645 | L | 96.8 | Very high | 95.7 | Very high | 45 Ų | 45 | 56 Ų | 56 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -37.1 | -178.5 | 177.2 | 68.7 | 0 | 0 | 0 | 112.5 | Y642 H643 N649 M668 I670 | Y642-L645 HydrophobicContact CD1-CD2 3.86Å; Y642-L645 VanDerWaalsContact O-CB 3.32Å; Y642-L645 WeakPolarHBondContact O-CB 3.36Å; Y642-L645 PolarHBondContact O-N 3.32Å; H643-L645 VanDerWaalsContact C-N 3.3Å; H643-L645 PolarHBondContact O-N 2.9Å; L645-N649 PolarHBondContact O-N 3.25Å; L645-N649 PolarHBondContact O-ND2 3.35Å; L645-M668 HydrophobicContact CD1-CG 4.44Å; L645-M668 HydrophobicContact CD2-CB 4.04Å; L645-M668 HydrophobicContact CD2-CG 4.43Å; L645-M668 VanDerWaalsContact CD2-O 3.32Å; L645-M668 WeakPolarHBondContact CD2-O 3.26Å; L645-M668 HydrophobicContact CG-CB 4.41Å; L645-M668 HydrophobicContact CG-CG 4.3Å; L645-I670 HydrophobicContact CD2-CD1 4.06Å; L645-I670 HydrophobicContact CD2-CG1 3.81Å |
| 646 | F | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 0% | 0.004 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.6 | -35.9 | 175.1 | -81.8 | -93.4 | 0 | 0 | 0 | 112.2 | V628 V629 L632 Y642 H643 Q644 S650 I651 F656 L659 L664 M668 I670 M678 | V628-F646 HydrophobicContact CG1-CD1 4.34Å; V629-F646 HydrophobicContact CG2-CB 3.54Å; V629-F646 HydrophobicContact CG2-CG 4.46Å; L632-F646 HydrophobicContact CD1-CD1 3.91Å; L632-F646 HydrophobicContact CD1-CD2 3.67Å; L632-F646 HydrophobicContact CD1-CE1 3.91Å; L632-F646 HydrophobicContact CD1-CE2 3.66Å; L632-F646 HydrophobicContact CD1-CG 3.81Å; L632-F646 HydrophobicContact CD1-CZ 3.79Å; Y642-F646 WeakPolarHBondContact O-CD2 3.37Å; Y642-F646 PolarHBondContact O-N 3.3Å; H643-F646 PolarHBondContact O-N 2.87Å; Q644-F646 PolarHBondContact O-N 2.84Å; F646-S650 PolarHBondContact O-N 3.25Å; F646-I651 HydrophobicContact CD1-CB 3.9Å; F646-I651 HydrophobicContact CD1-CG1 4.03Å; F646-I651 HydrophobicContact CD1-CG2 3.92Å; F646-I651 HydrophobicContact CE1-CG2 4.35Å; F646-I651 PolarHBondContact O-N 2.97Å; F646-F656 HydrophobicContact CD1-CD2 4.29Å; F646-F656 HydrophobicContact CD1-CE2 4.32Å; F646-F656 AromaticContact CE1-CD2 3.84Å; F646-F656 HydrophobicContact CE1-CD2 3.84Å; F646-F656 AromaticContact CE1-CE2 3.65Å; F646-F656 HydrophobicContact CE1-CE2 3.65Å; F646-F656 HydrophobicContact CZ-CE2 4.29Å; F646-L659 HydrophobicContact CE1-CD1 3.87Å; F646-L664 HydrophobicContact CZ-CD2 4.07Å; F646-M668 HydrophobicContact CE1-SD 4.29Å; F646-M668 HydrophobicContact CZ-SD 4.29Å; F646-I670 HydrophobicContact CE2-CD1 3.96Å; F646-I670 HydrophobicContact CZ-CD1 4.18Å; F646-M678 HydrophobicContact CE2-CE 3.92Å; F646-M678 HydrophobicContact CE2-SD 4.23Å; F646-M678 HydrophobicContact CZ-CE 4.3Å; F646-M678 HydrophobicContact CZ-SD 4.06Å |
| 647 | L | 97.1 | Very high | 95.9 | Very high | 41 Ų | 41 | 53.1 Ų | 53.1 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.4 | -43.5 | 173.9 | -61.2 | -179.2 | 0 | 0 | 0 | 112.4 | P625 E626 V629 H643 Q644 N649 S650 | P625-L647 HydrophobicContact CB-CD2 3.77Å; E626-L647 HydrophobicContact CG-CD2 4.38Å; V629-L647 HydrophobicContact CG2-CD2 4.06Å; V629-L647 HydrophobicContact CG2-CG 4.2Å; H643-L647 VanDerWaalsContact CE1-CD1 3.48Å; H643-L647 WeakPolarHBondContact CE1-CD1 3.43Å; H643-L647 PolarHBondContact O-N 3.08Å; Q644-L647 PolarHBondContact O-N 3.35Å; L647-N649 PolarHBondContact O-N 3.45Å; L647-S650 PolarHBondContact O-N 3.38Å |
| 648 | D | 96.4 | Very high | 95.9 | Very high | 113 Ų | 113 | 55.3 Ų | 55.3 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64 | -25.9 | 178.8 | -72.5 | -9.3 | 0 | 0 | 0 | 112.5 | Q644 | Q644-D648 PolarHBondContact NE2-OD1 3.18Å; Q644-D648 WeakPolarHBondContact O-CB 3.27Å; Q644-D648 PolarHBondContact O-N 3.42Å |
| 649 | N | 95.7 | Very high | 95.9 | Very high | 78 Ų | 78 | 52.9 Ų | 52.9 | 42% | 0.417 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 3.4 | 173.3 | -74.8 | -94.1 | 0 | 0 | 0 | 113.2 | L645 L647 I651 | L645-N649 PolarHBondContact O-N 3.25Å; L645-N649 PolarHBondContact O-ND2 3.35Å; L647-N649 PolarHBondContact O-N 3.45Å; N649-I651 VanDerWaalsContact C-N 3.29Å; N649-I651 HydrophobicContact CB-CD1 3.88Å; N649-I651 HydrophobicContact CB-CG1 3.78Å; N649-I651 PolarHBondContact O-N 3.05Å |
| 650 | S | 96 | Very high | 96 | Very high | 89 Ų | 89 | 59.1 Ų | 59.1 | 62% | 0.622 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 43.5 | -177.4 | -58.5 | 0 | 0 | 0 | 0 | 114 | F646 L647 D652 | F646-S650 PolarHBondContact O-N 3.25Å; L647-S650 PolarHBondContact O-N 3.38Å; S650-D652 PolarHBondContact O-N 2.92Å |
| 651 | I | 96.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 10% | 0.097 | 31% | 0.309 | C | S | . | . | trans | -76.7 | 93.8 | -176.5 | -55.3 | -61.4 | 0 | 0 | 0 | 110.1 | P625 V628 F646 N649 A655 F656 L659 | P625-I651 WeakPolarHBondContact CA-O 3.29Å; V628-I651 HydrophobicContact CG1-CG2 4.5Å; F646-I651 HydrophobicContact CD1-CB 3.9Å; F646-I651 HydrophobicContact CD1-CG1 4.03Å; F646-I651 HydrophobicContact CD1-CG2 3.92Å; F646-I651 HydrophobicContact CE1-CG2 4.35Å; F646-I651 PolarHBondContact O-N 2.97Å; N649-I651 VanDerWaalsContact C-N 3.29Å; N649-I651 HydrophobicContact CB-CD1 3.88Å; N649-I651 HydrophobicContact CB-CG1 3.78Å; N649-I651 PolarHBondContact O-N 3.05Å; I651-A655 HydrophobicContact CG2-CB 4.35Å; I651-F656 HydrophobicContact CG2-CB 3.9Å; I651-F656 HydrophobicContact CG2-CD2 3.99Å; I651-F656 HydrophobicContact CG2-CG 4.46Å; I651-L659 HydrophobicContact CG2-CD1 4.27Å | ||
| 652 | D | 96.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 57.2 Ų | 57.2 | 35% | 0.348 | 30% | 0.296 | S | S | . | . | trans | -75 | 172 | 169.7 | 69.2 | 10.9 | 0 | 0 | 0 | 112.3 | P625 S650 P654 A655 F656 | P625-D652 HydrophobicContact CG-CB 4.38Å; S650-D652 PolarHBondContact O-N 2.92Å; D652-P654 WeakPolarHBondContact OD1-CD 3.45Å; D652-A655 PolarHBondContact O-N 2.99Å; D652-A655 WeakPolarHBondContact OD1-CB 3.48Å; D652-A655 PolarHBondContact OD1-N 3.43Å; D652-F656 VanDerWaalsContact O-CB 3.24Å; D652-F656 WeakPolarHBondContact O-CB 3.49Å; D652-F656 PolarHBondContact O-N 3.31Å | ||
| 653 | G | 95.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.6 | -48.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V620 W623 A655 F656 I657 | V620-G653 CarbonylContact O-C 3.56Å; V620-G653 WeakPolarHBondContact O-CA 3.18Å; W623-G653 PolarHBondContact O-N 2.89Å; G653-A655 PolarHBondContact O-N 2.9Å; G653-F656 WeakPolarHBondContact O-CB 3.33Å; G653-F656 PolarHBondContact O-N 2.9Å; G653-I657 PolarHBondContact O-N 3.06Å |
| 654 | P | 94.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 54.1 Ų | 54.1 | 31% | 0.305 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.3 | -44.5 | 171.6 | -29.2 | 36.2 | 0 | 0 | 0 | 114.6 | D652 I657 L658 | D652-P654 WeakPolarHBondContact OD1-CD 3.45Å; P654-I657 WeakPolarHBondContact O-CG1 3.38Å; P654-L658 VanDerWaalsContact O-CG 3.31Å; P654-L658 WeakPolarHBondContact O-CG 3.32Å |
| 655 | A | 96.2 | Very high | 96.4 | Very high | 35 Ų | 35 | 51.2 Ų | 51.2 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.2 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I651 D652 G653 L658 L659 | I651-A655 HydrophobicContact CG2-CB 4.35Å; D652-A655 PolarHBondContact O-N 2.99Å; D652-A655 WeakPolarHBondContact OD1-CB 3.48Å; D652-A655 PolarHBondContact OD1-N 3.43Å; G653-A655 PolarHBondContact O-N 2.9Å; A655-L658 CarbonylContact O-C 3.52Å; A655-L658 WeakPolarHBondContact O-CA 3.32Å; A655-L658 PolarHBondContact O-N 3.11Å; A655-L659 PolarHBondContact O-N 3.01Å |
| 656 | F | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.7 | -47.7 | -179.9 | -170.6 | -112.4 | 0 | 0 | 0 | 111.9 | V628 W631 L632 F646 I651 D652 G653 L658 L659 I682 L685 | V628-F656 HydrophobicContact CG1-CB 4.14Å; V628-F656 HydrophobicContact CG1-CD1 4.27Å; V628-F656 HydrophobicContact CG1-CD2 3.45Å; V628-F656 VanDerWaalsContact CG1-CD2 3.45Å; V628-F656 HydrophobicContact CG1-CE2 3.83Å; V628-F656 HydrophobicContact CG1-CG 3.7Å; V628-F656 HydrophobicContact CG1-CZ 4.37Å; V628-F656 HydrophobicContact CG2-CB 4.07Å; V628-F656 HydrophobicContact CG2-CG 4.31Å; W631-F656 AromaticContact CE3-CE1 3.62Å; W631-F656 HydrophobicContact CE3-CE1 3.62Å; W631-F656 AromaticContact CE3-CZ 3.76Å; W631-F656 HydrophobicContact CE3-CZ 3.76Å; W631-F656 HydrophobicContact CH2-CE1 4.21Å; W631-F656 AromaticContact CZ3-CE1 3.47Å; W631-F656 HydrophobicContact CZ3-CE1 3.47Å; W631-F656 VanDerWaalsContact CZ3-CE1 3.47Å; W631-F656 AromaticContact CZ3-CZ 3.53Å; W631-F656 HydrophobicContact CZ3-CZ 3.53Å; L632-F656 HydrophobicContact CD1-CE2 4.12Å; L632-F656 HydrophobicContact CD1-CZ 4.5Å; L632-F656 HydrophobicContact CD2-CE2 4.05Å; L632-F656 HydrophobicContact CD2-CZ 3.77Å; L632-F656 HydrophobicContact CG-CE2 4.19Å; L632-F656 HydrophobicContact CG-CZ 4.07Å; F646-F656 HydrophobicContact CD1-CD2 4.29Å; F646-F656 HydrophobicContact CD1-CE2 4.32Å; F646-F656 AromaticContact CE1-CD2 3.84Å; F646-F656 HydrophobicContact CE1-CD2 3.84Å; F646-F656 AromaticContact CE1-CE2 3.65Å; F646-F656 HydrophobicContact CE1-CE2 3.65Å; F646-F656 HydrophobicContact CZ-CE2 4.29Å; I651-F656 HydrophobicContact CG2-CB 3.9Å; I651-F656 HydrophobicContact CG2-CD2 3.99Å; I651-F656 HydrophobicContact CG2-CG 4.46Å; D652-F656 VanDerWaalsContact O-CB 3.24Å; D652-F656 WeakPolarHBondContact O-CB 3.49Å; D652-F656 PolarHBondContact O-N 3.31Å; G653-F656 WeakPolarHBondContact O-CB 3.33Å; G653-F656 PolarHBondContact O-N 2.9Å; F656-L658 PolarHBondContact O-N 2.84Å; F656-L659 HydrophobicContact CD2-CD1 3.72Å; F656-L659 HydrophobicContact CE2-CD1 4.19Å; F656-L659 WeakPolarHBondContact O-CB 3.4Å; F656-L659 WeakPolarHBondContact O-CG 3.47Å; F656-L659 PolarHBondContact O-N 3.08Å; F656-L659 VanDerWaalsContact O-N 3.1Å; F656-I682 HydrophobicContact CD1-CG1 4.34Å; F656-I682 HydrophobicContact CE1-CD1 4.34Å; F656-I682 HydrophobicContact CE1-CG1 3.68Å; F656-I682 HydrophobicContact CE2-CD1 3.97Å; F656-I682 HydrophobicContact CE2-CG1 4.2Å; F656-I682 HydrophobicContact CZ-CD1 3.88Å; F656-I682 HydrophobicContact CZ-CG1 3.6Å; F656-L685 HydrophobicContact CD1-CD2 4.01Å; F656-L685 HydrophobicContact CE1-CD2 3.94Å |
| 657 | I | 95 | Very high | 96.2 | Very high | 34 Ų | 34 | 62.9 Ų | 62.9 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -9.7 | 175.6 | 65.3 | 174.9 | 0 | 0 | 0 | 113.7 | V620 G653 P654 L685 R686 | V620-I657 HydrophobicContact CG1-CG2 3.46Å; V620-I657 VanDerWaalsContact CG1-CG2 3.46Å; G653-I657 PolarHBondContact O-N 3.06Å; P654-I657 WeakPolarHBondContact O-CG1 3.38Å; I657-L685 HydrophobicContact CG2-CD2 4.29Å; I657-R686 VanDerWaalsContact O-CZ 3.26Å; I657-R686 PolarHBondContact O-NE 2.95Å; I657-R686 PolarHBondContact O-NH2 3.15Å |
| 658 | L | 95.2 | Very high | 96.1 | Very high | 128 Ų | 128 | 61.5 Ų | 61.5 | 67% | 0.67 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 0.8 | 173.7 | -67.4 | 175.7 | 0 | 0 | 0 | 113.4 | P654 A655 F656 | P654-L658 VanDerWaalsContact O-CG 3.31Å; P654-L658 WeakPolarHBondContact O-CG 3.32Å; A655-L658 CarbonylContact O-C 3.52Å; A655-L658 WeakPolarHBondContact O-CA 3.32Å; A655-L658 PolarHBondContact O-N 3.11Å; F656-L658 PolarHBondContact O-N 2.84Å |
| 659 | L | 96.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 64 Ų | 64 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | trans | -65.2 | 141 | 176.7 | -68.4 | 179 | 0 | 0 | 0 | 112.5 | F646 I651 A655 F656 H663 L664 M668 I682 R686 | F646-L659 HydrophobicContact CE1-CD1 3.87Å; I651-L659 HydrophobicContact CG2-CD1 4.27Å; A655-L659 PolarHBondContact O-N 3.01Å; F656-L659 HydrophobicContact CD2-CD1 3.72Å; F656-L659 HydrophobicContact CE2-CD1 4.19Å; F656-L659 WeakPolarHBondContact O-CB 3.4Å; F656-L659 WeakPolarHBondContact O-CG 3.47Å; F656-L659 PolarHBondContact O-N 3.08Å; F656-L659 VanDerWaalsContact O-N 3.1Å; L659-H663 HydrophobicContact CD2-CB 4Å; L659-L664 HydrophobicContact CD1-CD2 4.18Å; L659-M668 HydrophobicContact CD1-CE 4.04Å; L659-M668 HydrophobicContact CD2-CE 3.62Å; L659-M668 HydrophobicContact CG-CE 4.47Å; L659-I682 HydrophobicContact CB-CD1 4.3Å; L659-I682 HydrophobicContact CD1-CD1 4.34Å; L659-R686 PolarHBondContact O-NH2 2.91Å | ||
| 660 | R | 96.5 | Very high | 96.1 | Very high | 136 Ų | 136 | 60.5 Ų | 60.5 | 51% | 0.513 | 30% | 0.302 | S | S | . | . | trans | -116.7 | 160 | 172.5 | -56.4 | -163.9 | -64 | -175.9 | 2.7 | 109 | E662 H663 L664 | R660-E662 HydrophobicContact CB-CG 3.72Å; R660-E662 IonicContact CZ-OE1 3.37Å; R660-E662 IonicContact CZ-OE2 3.75Å; R660-E662 IonicContact NE-OE1 3.27Å; R660-E662 PolarHBondContact NE-OE1 3.26Å; R660-E662 IonicContact NH2-OE1 2.71Å; R660-E662 PolarHBondContact NH2-OE1 2.9Å; R660-E662 IonicContact NH2-OE2 3.19Å; R660-E662 PolarHBondContact NH2-OE2 2.9Å; R660-E662 PolarHBondContact O-N 2.84Å; R660-H663 PolarHBondContact N-ND1 3.44Å; R660-H663 WeakPolarHBondContact O-CA 3.24Å; R660-H663 WeakPolarHBondContact O-CB 3.45Å; R660-H663 PolarHBondContact O-N 3.23Å; R660-L664 PolarHBondContact O-N 2.83Å | ||
| 661 | E | 96.5 | Very high | 96.2 | Very high | 83 Ų | 83 | 65.3 Ų | 65.3 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -54.4 | -40.9 | 178.2 | -167.4 | -177.4 | -171.6 | 0 | 0 | 111.6 | H663 L664 L665 L672 M679 | E661-H663 VanDerWaalsContact C-N 3.25Å; E661-H663 PolarHBondContact O-N 3.45Å; E661-L664 PolarHBondContact O-N 2.68Å; E661-L665 HydrophobicContact CG-CD1 3.8Å; E661-L665 HydrophobicContact CG-CG 4.14Å; E661-L665 WeakPolarHBondContact O-CB 3.34Å; E661-L665 WeakPolarHBondContact O-CG 3.32Å; E661-L665 PolarHBondContact O-N 2.89Å; E661-L672 WeakPolarHBondContact OE1-CD1 3.47Å; E661-M679 HydrophobicContact CB-CG 4.06Å; E661-M679 HydrophobicContact CB-SD 4.49Å; E661-M679 HydrophobicContact CG-CG 4.42Å; E661-M679 PolarHBondContact N-SD 3.23Å; E661-M679 VanDerWaalsContact N-SD 3.44Å |
| 662 | E | 96.6 | Very high | 96.2 | Very high | 75 Ų | 75 | 69.3 Ų | 69.3 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -59.4 | -26.9 | 173.1 | 53.1 | 155.3 | -120.2 | 0 | 0 | 114.8 | R660 N666 | R660-E662 HydrophobicContact CB-CG 3.72Å; R660-E662 IonicContact CZ-OE1 3.37Å; R660-E662 IonicContact CZ-OE2 3.75Å; R660-E662 IonicContact NE-OE1 3.27Å; R660-E662 PolarHBondContact NE-OE1 3.26Å; R660-E662 IonicContact NH2-OE1 2.71Å; R660-E662 PolarHBondContact NH2-OE1 2.9Å; R660-E662 IonicContact NH2-OE2 3.19Å; R660-E662 PolarHBondContact NH2-OE2 2.9Å; R660-E662 PolarHBondContact O-N 2.84Å; E662-N666 WeakPolarHBondContact O-CB 3.44Å; E662-N666 PolarHBondContact O-N 2.86Å; E662-N666 PolarHBondContact O-ND2 3.22Å |
| 663 | H | 97 | Very high | 96.2 | Very high | 30 Ų | 30 | 68.8 Ų | 68.8 | 14% | 0.139 | 34% | 0.338 | C | S | . | . | I | π-helix | trans | -74.9 | -45.8 | 175.2 | -60.5 | 175.3 | 0 | 0 | 0 | 109.9 | L659 R660 E661 R667 M668 | L659-H663 HydrophobicContact CD2-CB 4Å; R660-H663 PolarHBondContact N-ND1 3.44Å; R660-H663 WeakPolarHBondContact O-CA 3.24Å; R660-H663 WeakPolarHBondContact O-CB 3.45Å; R660-H663 PolarHBondContact O-N 3.23Å; E661-H663 VanDerWaalsContact C-N 3.25Å; E661-H663 PolarHBondContact O-N 3.45Å; H663-R667 WeakPolarHBondContact O-CB 3.5Å; H663-R667 PolarHBondContact O-N 2.87Å; H663-R667 VanDerWaalsContact O-N 3.15Å; H663-M668 HydrophobicContact CB-CE 4.24Å; H663-M668 PolarHBondContact O-N 2.83Å |
| 664 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | I | π-helix | trans | -61.7 | -48.9 | 177 | -62.4 | 168.2 | 0 | 0 | 0 | 110.9 | F646 L659 R660 E661 M668 Q669 I670 A675 M678 M679 | F646-L664 HydrophobicContact CZ-CD2 4.07Å; L659-L664 HydrophobicContact CD1-CD2 4.18Å; R660-L664 PolarHBondContact O-N 2.83Å; E661-L664 PolarHBondContact O-N 2.68Å; L664-M668 HydrophobicContact CD2-CE 3.86Å; L664-M668 CarbonylContact O-C 3.44Å; L664-Q669 PolarHBondContact O-N 3.29Å; L664-Q669 VanDerWaalsContact O-N 3.12Å; L664-I670 HydrophobicContact CB-CB 4.46Å; L664-I670 HydrophobicContact CB-CD1 4.39Å; L664-I670 HydrophobicContact CD2-CD1 3.71Å; L664-I670 WeakPolarHBondContact O-CB 3.35Å; L664-I670 PolarHBondContact O-N 3.46Å; L664-A675 HydrophobicContact CB-CB 3.84Å; L664-A675 HydrophobicContact CD1-CB 4.26Å; L664-M678 HydrophobicContact CD1-CB 4Å; L664-M678 HydrophobicContact CD2-SD 4.02Å; L664-M679 HydrophobicContact CD1-CG 3.74Å; L664-M679 HydrophobicContact CD1-SD 3.68Å |
| 665 | L | 97.3 | Very high | 96.5 | Very high | 49 Ų | 49 | 68.3 Ų | 68.3 | 26% | 0.257 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -70.2 | -55.7 | -179.5 | -66.3 | 178.2 | 0 | 0 | 0 | 112.9 | E661 Q669 L672 A675 | E661-L665 HydrophobicContact CG-CD1 3.8Å; E661-L665 HydrophobicContact CG-CG 4.14Å; E661-L665 WeakPolarHBondContact O-CB 3.34Å; E661-L665 WeakPolarHBondContact O-CG 3.32Å; E661-L665 PolarHBondContact O-N 2.89Å; L665-Q669 VanDerWaalsContact O-CA 3.27Å; L665-Q669 WeakPolarHBondContact O-CA 3.49Å; L665-Q669 PolarHBondContact O-N 3.39Å; L665-L672 HydrophobicContact CD1-CD1 4.07Å; L665-L672 HydrophobicContact CD2-CB 4.17Å; L665-L672 HydrophobicContact CD2-CD1 3.9Å; L665-A675 HydrophobicContact CD2-CB 3.79Å; L665-A675 HydrophobicContact CG-CB 4.25Å |
| 666 | N | 95.7 | Very high | 96.5 | Very high | 124 Ų | 124 | 70.1 Ų | 70.1 | 66% | 0.663 | 34% | 0.338 | S | S | * | . | I | π-helix | trans | -94.5 | -30.5 | -163.6 | -54.2 | -33.8 | 0 | 0 | 0 | 113.4 | E662 | E662-N666 WeakPolarHBondContact O-CB 3.44Å; E662-N666 PolarHBondContact O-N 2.86Å; E662-N666 PolarHBondContact O-ND2 3.22Å |
| 667 | R | 94.1 | Very high | 96.5 | Very high | 168 Ų | 168 | 74.3 Ų | 74.3 | 63% | 0.634 | 36% | 0.357 | S | S | * | . | I | π-helix | trans | -94.9 | -45.8 | -179.8 | -53 | -174 | -169.9 | -173.6 | 7.2 | 111.4 | H663 | H663-R667 WeakPolarHBondContact O-CB 3.5Å; H663-R667 PolarHBondContact O-N 2.87Å; H663-R667 VanDerWaalsContact O-N 3.15Å |
| 668 | M | 96 | Very high | 96.7 | Very high | 11 Ų | 11 | 72.7 Ų | 72.7 | 5% | 0.054 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -91.8 | -8.2 | -179.3 | -79.6 | -179.3 | -85.3 | 0 | 0 | 114.2 | L645 F646 L659 H663 L664 I670 | L645-M668 HydrophobicContact CD1-CG 4.44Å; L645-M668 HydrophobicContact CD2-CB 4.04Å; L645-M668 HydrophobicContact CD2-CG 4.43Å; L645-M668 VanDerWaalsContact CD2-O 3.32Å; L645-M668 WeakPolarHBondContact CD2-O 3.26Å; L645-M668 HydrophobicContact CG-CB 4.41Å; L645-M668 HydrophobicContact CG-CG 4.3Å; F646-M668 HydrophobicContact CE1-SD 4.29Å; F646-M668 HydrophobicContact CZ-SD 4.29Å; L659-M668 HydrophobicContact CD1-CE 4.04Å; L659-M668 HydrophobicContact CD2-CE 3.62Å; L659-M668 HydrophobicContact CG-CE 4.47Å; H663-M668 HydrophobicContact CB-CE 4.24Å; H663-M668 PolarHBondContact O-N 2.83Å; L664-M668 HydrophobicContact CD2-CE 3.86Å; L664-M668 CarbonylContact O-C 3.44Å; M668-I670 HydrophobicContact CB-CD1 3.88Å; M668-I670 HydrophobicContact CB-CG1 3.99Å; M668-I670 PolarHBondContact O-N 3.22Å; M668-I670 VanDerWaalsContact O-N 3.15Å; M668-I670 HydrophobicContact SD-CD1 4.28Å |
| 669 | Q | 95.8 | Very high | 96.7 | Very high | 167 Ų | 167 | 67.8 Ų | 67.8 | 78% | 0.78 | 32% | 0.322 | S | S | * | . | trans | 59.1 | 25.2 | 176.1 | -50.5 | -178.5 | 18.2 | 0 | 0 | 114.1 | L664 L665 | L664-Q669 PolarHBondContact O-N 3.29Å; L664-Q669 VanDerWaalsContact O-N 3.12Å; L665-Q669 VanDerWaalsContact O-CA 3.27Å; L665-Q669 WeakPolarHBondContact O-CA 3.49Å; L665-Q669 PolarHBondContact O-N 3.39Å | ||
| 670 | I | 97.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | trans | -72.2 | 137.5 | 179 | -64.9 | 171.1 | 0 | 0 | 0 | 109 | Y642 L645 F646 L664 M668 H674 A675 M678 | Y642-I670 HydrophobicContact CD1-CD1 4.42Å; Y642-I670 HydrophobicContact CD1-CG1 3.84Å; Y642-I670 HydrophobicContact CE1-CB 4.32Å; Y642-I670 HydrophobicContact CE1-CG1 3.9Å; Y642-I670 HydrophobicContact CE1-CG2 4.17Å; Y642-I670 HydrophobicContact CE2-CG2 4.09Å; Y642-I670 HydrophobicContact CG-CD1 4.47Å; Y642-I670 HydrophobicContact CG-CG1 4.33Å; L645-I670 HydrophobicContact CD2-CD1 4.06Å; L645-I670 HydrophobicContact CD2-CG1 3.81Å; F646-I670 HydrophobicContact CE2-CD1 3.96Å; F646-I670 HydrophobicContact CZ-CD1 4.18Å; L664-I670 HydrophobicContact CB-CB 4.46Å; L664-I670 HydrophobicContact CB-CD1 4.39Å; L664-I670 HydrophobicContact CD2-CD1 3.71Å; L664-I670 WeakPolarHBondContact O-CB 3.35Å; L664-I670 PolarHBondContact O-N 3.46Å; M668-I670 HydrophobicContact CB-CD1 3.88Å; M668-I670 HydrophobicContact CB-CG1 3.99Å; M668-I670 PolarHBondContact O-N 3.22Å; M668-I670 VanDerWaalsContact O-N 3.15Å; M668-I670 HydrophobicContact SD-CD1 4.28Å; I670-H674 HydrophobicContact CG2-CB 3.86Å; I670-A675 HydrophobicContact CG2-CB 4.14Å; I670-M678 HydrophobicContact CD1-CE 4.44Å; I670-M678 HydrophobicContact CD1-SD 3.93Å; I670-M678 HydrophobicContact CG2-SD 4.19Å | ||
| 671 | R | 97 | Very high | 96.7 | Very high | 190 Ų | 190 | 63.8 Ų | 63.8 | 72% | 0.717 | 32% | 0.32 | S | S | * | . | trans | -63.8 | 138.2 | -179 | -65.3 | -176.9 | 178.7 | -169.4 | 0.1 | 110.4 | G673 H674 A675 | R671-G673 VanDerWaalsContact C-N 3.28Å; R671-G673 PolarHBondContact O-N 2.76Å; R671-G673 VanDerWaalsContact O-N 3.08Å; R671-H674 WeakPolarHBondContact O-CA 3.35Å; R671-H674 PolarHBondContact O-N 2.81Å; R671-A675 PolarHBondContact O-N 2.94Å | ||
| 672 | L | 97.2 | Very high | 96.6 | Very high | 103 Ų | 103 | 59.9 Ų | 59.9 | 54% | 0.539 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -46.1 | -45.3 | -176.5 | -176.7 | 64.8 | 0 | 0 | 0 | 114.2 | E661 L665 H674 A675 V676 | E661-L672 WeakPolarHBondContact OE1-CD1 3.47Å; L665-L672 HydrophobicContact CD1-CD1 4.07Å; L665-L672 HydrophobicContact CD2-CB 4.17Å; L665-L672 HydrophobicContact CD2-CD1 3.9Å; L672-H674 VanDerWaalsContact C-N 3.3Å; L672-H674 PolarHBondContact O-N 3.47Å; L672-A675 PolarHBondContact O-N 3.03Å; L672-V676 HydrophobicContact CD1-CG2 3.92Å; L672-V676 HydrophobicContact CG-CG2 4.33Å; L672-V676 WeakPolarHBondContact O-CB 3.48Å; L672-V676 WeakPolarHBondContact O-CG2 3.4Å; L672-V676 PolarHBondContact O-N 3.27Å |
| 673 | G | 96.7 | Very high | 96.6 | Very high | 54 Ų | 54 | 59.5 Ų | 59.5 | 56% | 0.557 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -61.7 | -31.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R671 K677 | R671-G673 VanDerWaalsContact C-N 3.28Å; R671-G673 PolarHBondContact O-N 2.76Å; R671-G673 VanDerWaalsContact O-N 3.08Å; G673-K677 WeakPolarHBondContact O-CG 3.35Å |
| 674 | H | 97.4 | Very high | 96.4 | Very high | 36 Ų | 36 | 64.1 Ų | 64.1 | 17% | 0.167 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -84 | -37.9 | 172.7 | -61.8 | 141 | 0 | 0 | 0 | 111.7 | Y642 I670 R671 L672 V676 K677 M678 | Y642-H674 HydrophobicContact CE2-CB 3.83Å; Y642-H674 AromaticContact CE2-CG 3.82Å; Y642-H674 AromaticContact CE2-ND1 3.47Å; Y642-H674 WeakPolarHBondContact CE2-ND1 3.43Å; Y642-H674 AromaticContact CZ-ND1 3.61Å; Y642-H674 PolarHBondContact OH-ND1 3.05Å; I670-H674 HydrophobicContact CG2-CB 3.86Å; R671-H674 WeakPolarHBondContact O-CA 3.35Å; R671-H674 PolarHBondContact O-N 2.81Å; L672-H674 VanDerWaalsContact C-N 3.3Å; L672-H674 PolarHBondContact O-N 3.47Å; H674-V676 PolarHBondContact O-N 2.81Å; H674-K677 WeakPolarHBondContact O-CB 3.44Å; H674-K677 PolarHBondContact O-N 3.26Å; H674-M678 WeakPolarHBondContact O-CB 3.45Å; H674-M678 VanDerWaalsContact O-CG 3.32Å; H674-M678 WeakPolarHBondContact O-CG 3.18Å; H674-M678 PolarHBondContact O-N 3.29Å |
| 675 | A | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.1 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | L664 L665 I670 R671 L672 M678 M679 | L664-A675 HydrophobicContact CB-CB 3.84Å; L664-A675 HydrophobicContact CD1-CB 4.26Å; L665-A675 HydrophobicContact CD2-CB 3.79Å; L665-A675 HydrophobicContact CG-CB 4.25Å; I670-A675 HydrophobicContact CG2-CB 4.14Å; R671-A675 PolarHBondContact O-N 2.94Å; L672-A675 PolarHBondContact O-N 3.03Å; A675-M678 PolarHBondContact O-N 2.8Å; A675-M679 WeakPolarHBondContact O-CG 3.43Å; A675-M679 PolarHBondContact O-N 3.28Å |
| 676 | V | 97.2 | Very high | 96 | Very high | 74 Ų | 74 | 65.2 Ų | 65.2 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 176 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | L672 H674 A680 | L672-V676 HydrophobicContact CD1-CG2 3.92Å; L672-V676 HydrophobicContact CG-CG2 4.33Å; L672-V676 WeakPolarHBondContact O-CB 3.48Å; L672-V676 WeakPolarHBondContact O-CG2 3.4Å; L672-V676 PolarHBondContact O-N 3.27Å; H674-V676 PolarHBondContact O-N 2.81Å; V676-A680 WeakPolarHBondContact O-CB 3.33Å; V676-A680 PolarHBondContact O-N 3.29Å |
| 677 | K | 97.2 | Very high | 95.6 | Very high | 87 Ų | 87 | 64.7 Ų | 64.7 | 38% | 0.378 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -59.7 | -47.4 | 172.5 | -78.1 | 178.5 | 166.1 | -161.8 | 0 | 111.7 | D636 T638 F639 G673 H674 A680 A681 | D636-K677 IonicContact OD1-NZ 3.93Å; D636-K677 WeakPolarHBondContact OD2-CD 3.49Å; D636-K677 WeakPolarHBondContact OD2-CE 3.32Å; D636-K677 IonicContact OD2-NZ 2.93Å; D636-K677 PolarHBondContact OD2-NZ 3.02Å; T638-K677 PolarHBondContact OG1-NZ 3.15Å; T638-K677 VanDerWaalsContact OG1-NZ 3.12Å; F639-K677 HydrophobicContact CE1-CB 3.85Å; F639-K677 HydrophobicContact CE1-CD 4.01Å; F639-K677 HydrophobicContact CZ-CB 3.72Å; F639-K677 HydrophobicContact CZ-CD 4.42Å; G673-K677 WeakPolarHBondContact O-CG 3.35Å; H674-K677 WeakPolarHBondContact O-CB 3.44Å; H674-K677 PolarHBondContact O-N 3.26Å; K677-A680 PolarHBondContact O-N 3.46Å; K677-A681 PolarHBondContact O-N 3.04Å; K677-A681 VanDerWaalsContact O-N 3.09Å |
| 678 | M | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 179.9 | -75.2 | 175 | 172 | 0 | 0 | 111.1 | L632 F639 Y642 F646 L664 I670 H674 A675 A680 A681 I682 | L632-M678 HydrophobicContact CD2-CE 4.31Å; L632-M678 HydrophobicContact CD2-CG 4.36Å; F639-M678 HydrophobicContact CB-CE 3.83Å; F639-M678 HydrophobicContact CD1-CE 3.58Å; F639-M678 HydrophobicContact CD1-CG 4.07Å; F639-M678 HydrophobicContact CD2-CE 4.16Å; F639-M678 HydrophobicContact CD2-CG 4.19Å; F639-M678 HydrophobicContact CE1-CE 4.12Å; F639-M678 HydrophobicContact CE1-CG 3.63Å; F639-M678 HydrophobicContact CE2-CG 3.76Å; F639-M678 HydrophobicContact CG-CE 3.59Å; F639-M678 HydrophobicContact CG-CG 4.33Å; F639-M678 HydrophobicContact CZ-CB 4.3Å; F639-M678 HydrophobicContact CZ-CG 3.46Å; F639-M678 VanDerWaalsContact CZ-CG 3.46Å; Y642-M678 HydrophobicContact CD2-CE 3.53Å; Y642-M678 HydrophobicContact CE2-CE 4.23Å; Y642-M678 HydrophobicContact CG-CE 4.15Å; F646-M678 HydrophobicContact CE2-CE 3.92Å; F646-M678 HydrophobicContact CE2-SD 4.23Å; F646-M678 HydrophobicContact CZ-CE 4.3Å; F646-M678 HydrophobicContact CZ-SD 4.06Å; L664-M678 HydrophobicContact CD1-CB 4Å; L664-M678 HydrophobicContact CD2-SD 4.02Å; I670-M678 HydrophobicContact CD1-CE 4.44Å; I670-M678 HydrophobicContact CD1-SD 3.93Å; I670-M678 HydrophobicContact CG2-SD 4.19Å; H674-M678 WeakPolarHBondContact O-CB 3.45Å; H674-M678 VanDerWaalsContact O-CG 3.32Å; H674-M678 WeakPolarHBondContact O-CG 3.18Å; H674-M678 PolarHBondContact O-N 3.29Å; A675-M678 PolarHBondContact O-N 2.8Å; M678-A680 PolarHBondContact O-N 2.78Å; M678-A681 PolarHBondContact O-N 2.9Å; M678-A681 VanDerWaalsContact O-N 3.13Å; M678-I682 WeakPolarHBondContact O-CB 3.27Å; M678-I682 VanDerWaalsContact O-CG1 3.26Å; M678-I682 WeakPolarHBondContact O-CG1 3.37Å; M678-I682 PolarHBondContact O-N 2.86Å |
| 679 | M | 97 | Very high | 94.8 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 12% | 0.123 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.1 | -49 | 174 | -72.9 | -54.9 | -49.9 | 0 | 0 | 111.7 | E661 L664 A675 A681 I682 D683 | E661-M679 HydrophobicContact CB-CG 4.06Å; E661-M679 HydrophobicContact CB-SD 4.49Å; E661-M679 HydrophobicContact CG-CG 4.42Å; E661-M679 PolarHBondContact N-SD 3.23Å; E661-M679 VanDerWaalsContact N-SD 3.44Å; L664-M679 HydrophobicContact CD1-CG 3.74Å; L664-M679 HydrophobicContact CD1-SD 3.68Å; A675-M679 WeakPolarHBondContact O-CG 3.43Å; A675-M679 PolarHBondContact O-N 3.28Å; M679-A681 PolarHBondContact O-N 3.3Å; M679-A681 VanDerWaalsContact O-N 3.09Å; M679-I682 PolarHBondContact O-N 3.18Å; M679-I682 VanDerWaalsContact O-N 3.12Å; M679-D683 WeakPolarHBondContact O-CB 3.4Å; M679-D683 PolarHBondContact O-N 3.23Å |
| 680 | A | 96.5 | Very high | 94 | Very high | 48 Ų | 48 | 54.5 Ų | 54.5 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.4 | -12.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V676 K677 M678 R684 | V676-A680 WeakPolarHBondContact O-CB 3.33Å; V676-A680 PolarHBondContact O-N 3.29Å; K677-A680 PolarHBondContact O-N 3.46Å; M678-A680 PolarHBondContact O-N 2.78Å; A680-R684 WeakPolarHBondContact O-CG 3.34Å; A680-R684 PolarHBondContact O-NE 3.21Å |
| 681 | A | 95.5 | Very high | 92.5 | Very high | 12 Ų | 12 | 60.4 Ų | 60.4 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -93.8 | -43.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | W631 T635 K677 M678 M679 D683 R684 L685 | W631-A681 HydrophobicContact CH2-CB 3.7Å; W631-A681 HydrophobicContact CZ3-CB 4.29Å; T635-A681 HydrophobicContact CG2-CB 3.82Å; K677-A681 PolarHBondContact O-N 3.04Å; K677-A681 VanDerWaalsContact O-N 3.09Å; M678-A681 PolarHBondContact O-N 2.9Å; M678-A681 VanDerWaalsContact O-N 3.13Å; M679-A681 PolarHBondContact O-N 3.3Å; M679-A681 VanDerWaalsContact O-N 3.09Å; A681-D683 VanDerWaalsContact C-N 3.26Å; A681-D683 PolarHBondContact O-N 3.12Å; A681-R684 PolarHBondContact O-N 3.18Å; A681-L685 PolarHBondContact O-N 3.24Å |
| 682 | I | 95.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.5 | -37.5 | 174.4 | -68.7 | 163.7 | 0 | 0 | 0 | 110.8 | F656 L659 M678 M679 L685 R686 | F656-I682 HydrophobicContact CD1-CG1 4.34Å; F656-I682 HydrophobicContact CE1-CD1 4.34Å; F656-I682 HydrophobicContact CE1-CG1 3.68Å; F656-I682 HydrophobicContact CE2-CD1 3.97Å; F656-I682 HydrophobicContact CE2-CG1 4.2Å; F656-I682 HydrophobicContact CZ-CD1 3.88Å; F656-I682 HydrophobicContact CZ-CG1 3.6Å; L659-I682 HydrophobicContact CB-CD1 4.3Å; L659-I682 HydrophobicContact CD1-CD1 4.34Å; M678-I682 WeakPolarHBondContact O-CB 3.27Å; M678-I682 VanDerWaalsContact O-CG1 3.26Å; M678-I682 WeakPolarHBondContact O-CG1 3.37Å; M678-I682 PolarHBondContact O-N 2.86Å; M679-I682 PolarHBondContact O-N 3.18Å; M679-I682 VanDerWaalsContact O-N 3.12Å; I682-L685 CarbonylContact O-C 3.57Å; I682-L685 WeakPolarHBondContact O-CB 3.43Å; I682-L685 PolarHBondContact O-N 2.84Å; I682-R686 WeakPolarHBondContact O-CG 3.43Å; I682-R686 PolarHBondContact O-N 3.29Å |
| 683 | D | 95.3 | Very high | 88.7 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 36% | 0.358 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.1 | -35.7 | 178 | -70 | -34 | 0 | 0 | 0 | 112.4 | M679 A681 R686 E687 | M679-D683 WeakPolarHBondContact O-CB 3.4Å; M679-D683 PolarHBondContact O-N 3.23Å; A681-D683 VanDerWaalsContact C-N 3.26Å; A681-D683 PolarHBondContact O-N 3.12Å; D683-R686 WeakPolarHBondContact O-CB 3.48Å; D683-R686 PolarHBondContact O-N 3.1Å; D683-R686 IonicContact OD1-CZ 3.71Å; D683-R686 IonicContact OD1-NH1 2.79Å; D683-R686 PolarHBondContact OD1-NH1 2.95Å; D683-E687 WeakPolarHBondContact O-CG 3.32Å; D683-E687 PolarHBondContact O-N 3.23Å |
| 684 | R | 93.2 | Very high | 86 | Confident | 127 Ų | 127 | 60.3 Ų | 60.3 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 170.5 | -60.5 | 177.3 | -160.8 | -154.2 | 2.7 | 111.8 | A680 A681 R686 E687 T688 | A680-R684 WeakPolarHBondContact O-CG 3.34Å; A680-R684 PolarHBondContact O-NE 3.21Å; A681-R684 PolarHBondContact O-N 3.18Å; R684-R686 VanDerWaalsContact C-N 3.29Å; R684-R686 PolarHBondContact O-N 3.07Å; R684-E687 WeakPolarHBondContact O-CB 3.31Å; R684-E687 PolarHBondContact O-N 3.5Å; R684-T688 PolarHBondContact O-N 3.19Å; R684-T688 VanDerWaalsContact O-N 3.08Å |
| 685 | L | 93.1 | Very high | 83.3 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65.6 | -33.1 | 176 | -169.2 | 66.5 | 0 | 0 | 0 | 111.8 | Q617 V620 W623 W631 F656 I657 A681 I682 T688 V689 | Q617-L685 HydrophobicContact CB-CD1 3.73Å; Q617-L685 HydrophobicContact CG-CD1 3.67Å; V620-L685 HydrophobicContact CG1-CD2 4.06Å; V620-L685 HydrophobicContact CG2-CD1 3.71Å; V620-L685 HydrophobicContact CG2-CD2 4.21Å; V620-L685 HydrophobicContact CG2-CG 3.96Å; W623-L685 HydrophobicContact CH2-CD1 3.72Å; W623-L685 HydrophobicContact CH2-CD2 3.88Å; W623-L685 HydrophobicContact CH2-CG 4.44Å; W623-L685 HydrophobicContact CZ2-CD1 4.42Å; W623-L685 HydrophobicContact CZ3-CD1 4.41Å; W623-L685 HydrophobicContact CZ3-CD2 3.7Å; W631-L685 HydrophobicContact CH2-CB 4.35Å; W631-L685 HydrophobicContact CH2-CD2 4.22Å; W631-L685 HydrophobicContact CZ2-CB 4.04Å; W631-L685 HydrophobicContact CZ2-CD1 4.1Å; W631-L685 HydrophobicContact CZ2-CD2 3.96Å; W631-L685 HydrophobicContact CZ2-CG 4.27Å; F656-L685 HydrophobicContact CD1-CD2 4.01Å; F656-L685 HydrophobicContact CE1-CD2 3.94Å; I657-L685 HydrophobicContact CG2-CD2 4.29Å; A681-L685 PolarHBondContact O-N 3.24Å; I682-L685 CarbonylContact O-C 3.57Å; I682-L685 WeakPolarHBondContact O-CB 3.43Å; I682-L685 PolarHBondContact O-N 2.84Å; L685-T688 PolarHBondContact O-OG1 2.85Å; L685-V689 VanDerWaalsContact O-CG2 3.24Å; L685-V689 WeakPolarHBondContact O-CG2 3.39Å; L685-V689 PolarHBondContact O-N 2.74Å; L685-V689 VanDerWaalsContact O-N 3.15Å |
| 686 | R | 92.5 | Very high | 80.2 | Confident | 71 Ų | 71 | 72.6 Ų | 72.6 | 27% | 0.268 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 169.5 | -71.4 | 165.9 | 172.3 | 151.6 | 0.8 | 111.2 | I657 L659 I682 D683 R684 T688 V689 S690 | I657-R686 VanDerWaalsContact O-CZ 3.26Å; I657-R686 PolarHBondContact O-NE 2.95Å; I657-R686 PolarHBondContact O-NH2 3.15Å; L659-R686 PolarHBondContact O-NH2 2.91Å; I682-R686 WeakPolarHBondContact O-CG 3.43Å; I682-R686 PolarHBondContact O-N 3.29Å; D683-R686 WeakPolarHBondContact O-CB 3.48Å; D683-R686 PolarHBondContact O-N 3.1Å; D683-R686 IonicContact OD1-CZ 3.71Å; D683-R686 IonicContact OD1-NH1 2.79Å; D683-R686 PolarHBondContact OD1-NH1 2.95Å; R684-R686 VanDerWaalsContact C-N 3.29Å; R684-R686 PolarHBondContact O-N 3.07Å; R686-T688 VanDerWaalsContact C-N 3.32Å; R686-T688 PolarHBondContact O-N 3.27Å; R686-V689 PolarHBondContact O-N 3.15Å; R686-S690 WeakPolarHBondContact O-CB 3.47Å; R686-S690 PolarHBondContact O-N 2.75Å; R686-S690 PolarHBondContact O-OG 3.36Å |
| 687 | E | 88.9 | Confident | 79.3 | Confident | 113 Ų | 113 | 72.6 Ų | 72.6 | 53% | 0.528 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -56.7 | -43 | 177.7 | -72.6 | 171.6 | 170.1 | 0 | 0 | 112.2 | D683 R684 Q691 | D683-E687 WeakPolarHBondContact O-CG 3.32Å; D683-E687 PolarHBondContact O-N 3.23Å; R684-E687 WeakPolarHBondContact O-CB 3.31Å; R684-E687 PolarHBondContact O-N 3.5Å; E687-Q691 VanDerWaalsContact O-CG 3.27Å; E687-Q691 WeakPolarHBondContact O-CG 3.32Å; E687-Q691 PolarHBondContact O-N 2.74Å; E687-Q691 VanDerWaalsContact O-N 3.12Å; E687-Q691 PolarHBondContact O-NE2 3.46Å |
| 688 | T | 86.6 | Confident | 78.4 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 25% | 0.252 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.9 | -44.1 | 176.7 | 55.9 | 0 | 0 | 0 | 0 | 112.7 | R684 L685 R686 S690 Q691 N692 | R684-T688 PolarHBondContact O-N 3.19Å; R684-T688 VanDerWaalsContact O-N 3.08Å; L685-T688 PolarHBondContact O-OG1 2.85Å; R686-T688 VanDerWaalsContact C-N 3.32Å; R686-T688 PolarHBondContact O-N 3.27Å; T688-S690 VanDerWaalsContact C-N 3.27Å; T688-S690 PolarHBondContact O-N 2.71Å; T688-Q691 PolarHBondContact O-N 3.29Å; T688-N692 PolarHBondContact O-N 3.38Å |
| 689 | V | 85.2 | Confident | 77.3 | Confident | 12 Ų | 12 | 75.8 Ų | 75.8 | 7% | 0.073 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -64.2 | -31.9 | 177 | 172.8 | 0 | 0 | 0 | 0 | 111.8 | Q617 V620 L685 R686 Q693 | Q617-V689 WeakPolarHBondContact O-CG2 3.46Å; V620-V689 HydrophobicContact CB-CG2 3.82Å; V620-V689 HydrophobicContact CG2-CG2 3.54Å; L685-V689 VanDerWaalsContact O-CG2 3.24Å; L685-V689 WeakPolarHBondContact O-CG2 3.39Å; L685-V689 PolarHBondContact O-N 2.74Å; L685-V689 VanDerWaalsContact O-N 3.15Å; R686-V689 PolarHBondContact O-N 3.15Å; V689-Q693 PolarHBondContact O-NE2 3.48Å |
| 690 | S | 79.4 | Confident | 76.2 | Confident | 79 Ų | 79 | 78.8 Ų | 78.8 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -75 | -37.7 | 177.1 | -74.3 | 0 | 0 | 0 | 0 | 113.5 | R686 T688 N692 Q693 | R686-S690 WeakPolarHBondContact O-CB 3.47Å; R686-S690 PolarHBondContact O-N 2.75Å; R686-S690 PolarHBondContact O-OG 3.36Å; T688-S690 VanDerWaalsContact C-N 3.27Å; T688-S690 PolarHBondContact O-N 2.71Å; S690-N692 VanDerWaalsContact C-N 3.3Å; S690-N692 PolarHBondContact O-N 3.33Å; S690-Q693 PolarHBondContact O-N 3.11Å |
| 691 | Q | 65.6 | Low | 74.9 | Confident | 129 Ų | 129 | 80.7 Ų | 80.7 | 60% | 0.603 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.7 | -37.2 | 179.5 | -75.5 | 167.3 | 47.5 | 0 | 0 | 112.1 | E687 T688 Q693 | E687-Q691 VanDerWaalsContact O-CG 3.27Å; E687-Q691 WeakPolarHBondContact O-CG 3.32Å; E687-Q691 PolarHBondContact O-N 2.74Å; E687-Q691 VanDerWaalsContact O-N 3.12Å; E687-Q691 PolarHBondContact O-NE2 3.46Å; T688-Q691 PolarHBondContact O-N 3.29Å; Q691-Q693 PolarHBondContact O-N 3.07Å; Q691-Q693 VanDerWaalsContact O-N 3.14Å |
| 692 | N | 59.3 | Low | 73.5 | Confident | 90 Ų | 90 | 85.3 Ų | 85.3 | 48% | 0.481 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 10.7 | -177.2 | -72.5 | 10 | 0 | 0 | 0 | 115.1 | E618 T688 S690 | E618-N692 WeakPolarHBondContact CB-ND2 3.3Å; E618-N692 VanDerWaalsContact CG-ND2 3.3Å; E618-N692 WeakPolarHBondContact CG-ND2 3.39Å; E618-N692 PolarHBondContact OE1-ND2 3.06Å; T688-N692 PolarHBondContact O-N 3.38Å; S690-N692 VanDerWaalsContact C-N 3.3Å; S690-N692 PolarHBondContact O-N 3.33Å |
| 693 | Q | 56.1 | Low | 72 | Confident | 112 Ų | 112 | 91.4 Ų | 91.4 | 52% | 0.523 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | 15.6 | 176.9 | -73.8 | 171.7 | 104.2 | 0 | 0 | 113.2 | V689 S690 Q691 P695 | V689-Q693 PolarHBondContact O-NE2 3.48Å; S690-Q693 PolarHBondContact O-N 3.11Å; Q691-Q693 PolarHBondContact O-N 3.07Å; Q691-Q693 VanDerWaalsContact O-N 3.14Å; Q693-P695 WeakPolarHBondContact O-CD 3.2Å |
| 694 | I | 39.9 | Very low | 70.2 | Confident | 142 Ų | 142 | 93.2 Ų | 93.2 | 73% | 0.728 | 52% | 0.517 | S | S | * | . | trans | -98.8 | 107.6 | 170.9 | -55.8 | 176.2 | 0 | 0 | 0 | 108.7 | ||||
| 695 | P | 39.5 | Very low | 68.2 | Low | 117 Ų | 117 | 90.4 Ų | 90.4 | 76% | 0.76 | 52% | 0.52 | S | S | * | . | trans | -68.4 | 147.8 | 164.4 | 30.6 | -33.7 | 0 | 0 | 0 | 110.2 | Q693 | Q693-P695 WeakPolarHBondContact O-CD 3.2Š| ||
| 696 | A | 32.9 | Very low | 66 | Low | 178 Ų | 178 | 98.5 Ų | 98.5 | 100% | 1.471 | 57% | 0.567 | S | S | * | * | trans | -75.6 | 0 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 |
Retrieved 696 of 696 residues in 312.4 ms
(Link to these results)