| 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 | 32.8 | Very low | 39.7 | Very low | 245 Ų | 245 | 147.8 Ų | 147.8 | 100% | 1.207 | 81% | 0.808 | S | S | * | * | 0 | 152.8 | 0 | -67.8 | 176.8 | 175.3 | 0 | 0 | 109.2 | |||||
| 2 | S | 35.9 | Very low | 38.8 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | -12.1 | 153.6 | 152 | -65.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 3 | L | 39.5 | Very low | 40.4 | Very low | 152 Ų | 152 | 141.1 Ų | 141.1 | 80% | 0.796 | 80% | 0.8 | S | S | * | * | cis | -169.7 | 155.3 | 1.2 | -100.6 | 161 | 0 | 0 | 0 | 111 | ||||
| 4 | V | 39.4 | Very low | 41 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 72% | 0.721 | 81% | 0.805 | S | S | * | * | trans | 74.1 | 112.7 | 136.1 | 169.3 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 5 | V | 40.6 | Very low | 41 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | 62.6 | 143.6 | 123.4 | -170.2 | 0 | 0 | 0 | 0 | 124.9 | |||||
| 6 | S | 44.6 | Very low | 41.1 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | -81.7 | 166.8 | -175.9 | 5 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 7 | Q | 42.9 | Very low | 41.1 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | -172.2 | 143.6 | 128.9 | -109.8 | -179.7 | 59.6 | 0 | 0 | 117.5 | |||||
| 8 | Q | 45.2 | Very low | 40.6 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 70% | 0.696 | 82% | 0.817 | S | S | * | * | trans | 26 | 160.8 | 133.2 | -68.2 | -174.2 | 1.5 | 0 | 0 | 123.1 | ||||
| 9 | Q | 42.6 | Very low | 40.6 | Very low | 161 Ų | 161 | 136.1 Ų | 136.1 | 75% | 0.752 | 81% | 0.811 | S | S | * | * | cis | -166 | 163.1 | 12.6 | -135.8 | -178.6 | 75 | 0 | 0 | 115.7 | ||||
| 10 | A | 40.9 | Very low | 40 | Very low | 85 Ų | 85 | 135 Ų | 135 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | trans | 85.5 | 164.4 | 134.8 | 0 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 11 | E | 32.2 | Very low | 40.2 | Very low | 200 Ų | 200 | 131.9 Ų | 131.9 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | trans | 82.4 | 146.7 | 166.5 | -151.4 | 165.3 | -81.2 | 0 | 0 | 119.3 | ||||
| 12 | A | 29.4 | Very low | 39.9 | Very low | 88 Ų | 88 | 127.5 Ų | 127.5 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -162.4 | 168.8 | -39.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 13 | P | 59.7 | Low | 39.8 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -110.6 | 178 | -175.2 | 42.2 | -35.1 | 0 | 0 | 0 | 116.1 | ||||
| 14 | P | 48.2 | Very low | 39.3 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | -148 | -160.1 | 117.5 | 40 | -22.7 | 0 | 0 | 0 | 115.2 | |||||
| 15 | A | 40.7 | Very low | 38.9 | Very low | 99 Ų | 99 | 125 Ų | 125 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -145.7 | -176 | -156.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 16 | A | 42.9 | Very low | 38.3 | Very low | 105 Ų | 105 | 126.2 Ų | 126.2 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | trans | 91.9 | 98.3 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 17 | A | 41 | Very low | 38.1 | Very low | 100 Ų | 100 | 126 Ų | 126 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | -134.7 | 157 | 142.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 18 | Q | 32.2 | Very low | 37.4 | Very low | 199 Ų | 199 | 121.1 Ų | 121.1 | 93% | 0.93 | 76% | 0.757 | S | S | * | * | trans | -88.1 | 162.6 | -154.2 | -65.8 | -165.8 | 20.6 | 0 | 0 | 117.3 | ||||
| 19 | T | 39.9 | Very low | 36.9 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -92.6 | 165.7 | -160.8 | 49.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 20 | T | 28.7 | Very low | 36 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | 74.3 | 169.9 | 163.8 | 83.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 21 | P | 45.8 | Very low | 36.1 | Very low | 69 Ų | 69 | 119.4 Ų | 119.4 | 45% | 0.448 | 77% | 0.766 | S | S | . | * | cis | -124.6 | -178.8 | -19.2 | 27.4 | -6.6 | 0 | 0 | 0 | 112.8 | ||||
| 22 | D | 24.7 | Very low | 35.7 | Very low | 154 Ų | 154 | 115.5 Ų | 115.5 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | 62.3 | 178.2 | 166.4 | -46.5 | -47.3 | 0 | 0 | 0 | 113.5 | ||||
| 23 | S | 34.1 | Very low | 35.4 | Very low | 91 Ų | 91 | 115 Ų | 115 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -146.5 | 157.4 | -0.9 | -161.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 24 | D | 30.5 | Very low | 33.8 | Very low | 133 Ų | 133 | 115.6 Ų | 115.6 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 64.3 | 141.9 | 163.6 | -61.7 | -61.4 | 0 | 0 | 0 | 118.1 | ||||
| 25 | S | 29.9 | Very low | 32.6 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | cis | 78.7 | 133.5 | 32 | -50.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 26 | D | 29.2 | Very low | 31.8 | Very low | 159 Ų | 159 | 116.4 Ų | 116.4 | 85% | 0.85 | 74% | 0.739 | S | S | * | * | trans | 65.4 | 147.4 | 174.4 | -139.8 | 57.2 | 0 | 0 | 0 | 114.8 | ||||
| 27 | S | 39.6 | Very low | 31 | Very low | 100 Ų | 100 | 115.5 Ų | 115.5 | 70% | 0.699 | 72% | 0.723 | S | S | * | * | cis | -149.8 | 151.7 | -18.4 | 26.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 28 | G | 29 | Very low | 30.4 | Very low | 70 Ų | 70 | 113.8 Ų | 113.8 | 72% | 0.722 | 70% | 0.702 | S | S | * | * | cis | -165.7 | 126.4 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112 | G30 | G28-G30 PolarHBondContact O-N 3.45Š| ||
| 29 | M | 33.6 | Very low | 30.4 | Very low | 191 Ų | 191 | 107.4 Ų | 107.4 | 94% | 0.941 | 68% | 0.683 | S | S | * | * | trans | -60.9 | 125 | 153.5 | -92.2 | -80.3 | 108.2 | 0 | 0 | 107.9 | ||||
| 30 | G | 23.7 | Very low | 29.8 | Very low | 68 Ų | 68 | 108.4 Ų | 108.4 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | trans | -127.9 | 10.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | G28 P32 | G28-G30 PolarHBondContact O-N 3.45Å; G30-P32 WeakPolarHBondContact O-CD 3.36Å | ||
| 31 | S | 42.5 | Very low | 29.9 | Very low | 99 Ų | 99 | 106.8 Ų | 106.8 | 69% | 0.692 | 68% | 0.675 | S | S | * | * | trans | -78.2 | 114.2 | 166.4 | -58 | 0 | 0 | 0 | 0 | 109.4 | A33 | S31-A33 PolarHBondContact O-N 3.4Š| ||
| 32 | P | 25.2 | Very low | 29 | Very low | 118 Ų | 118 | 113.1 Ų | 113.1 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | trans | -62.9 | 122.4 | 144.4 | 29.6 | -30.7 | 0 | 0 | 0 | 106.1 | G30 | G30-P32 WeakPolarHBondContact O-CD 3.36Š| ||
| 33 | A | 21.7 | Very low | 29.3 | Very low | 79 Ų | 79 | 113.1 Ų | 113.1 | 65% | 0.653 | 69% | 0.69 | S | S | * | * | cis | 63.3 | 70.3 | 35.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S31 | S31-A33 PolarHBondContact O-N 3.4Š| ||
| 34 | V | 26.3 | Very low | 29 | Very low | 131 Ų | 131 | 113.4 Ų | 113.4 | 79% | 0.794 | 70% | 0.697 | S | S | * | * | -150.1 | 143.7 | 120.8 | -92.1 | 0 | 0 | 0 | 0 | 107 | |||||
| 35 | T | 23.9 | Very low | 29.2 | Very low | 108 Ų | 108 | 113.8 Ų | 113.8 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | cis | 53.2 | 66.4 | 9.8 | 67.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 36 | M | 23.6 | Very low | 29.6 | Very low | 143 Ų | 143 | 113.8 Ų | 113.8 | 70% | 0.704 | 70% | 0.702 | S | S | * | * | -164 | 138.9 | 109.6 | -91.7 | -49 | 167.5 | 0 | 0 | 108.7 | |||||
| 37 | T | 25.1 | Very low | 29.6 | Very low | 87 Ų | 87 | 111.7 Ų | 111.7 | 53% | 0.534 | 70% | 0.695 | S | S | . | * | 65 | 104.2 | 124.5 | 60.4 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 38 | T | 28.3 | Very low | 29.1 | Very low | 64 Ų | 64 | 111.2 Ų | 111.2 | 39% | 0.393 | 69% | 0.69 | S | S | . | * | 62.4 | 154.1 | 84.4 | 74.1 | 0 | 0 | 0 | 0 | 113.8 | D1144 K1145 | T38-D1144 WeakPolarHBondContact CA-OD1 3.27Å; T38-D1144 VanDerWaalsContact CB-CG 3.44Å; T38-D1144 VanDerWaalsContact CB-OD1 3.27Å; T38-D1144 WeakPolarHBondContact CB-OD1 3.15Å; T38-D1144 WeakPolarHBondContact CB-OD2 3.34Å; T38-D1144 HydrophobicContact CG2-CB 3.78Å; T38-D1144 WeakPolarHBondContact CG2-OD1 3.15Å; T38-K1145 HydrophobicContact CG2-CG 4.44Å | |||
| 39 | A | 32.8 | Very low | 29.1 | Very low | 64 Ų | 64 | 116.6 Ų | 116.6 | 53% | 0.529 | 69% | 0.694 | S | S | . | * | trans | -48.4 | 161.4 | 162.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 40 | D | 28.1 | Very low | 29.1 | Very low | 135 Ų | 135 | 111.9 Ų | 111.9 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | cis | -166.6 | 166.6 | 38.3 | -156.9 | 2.6 | 0 | 0 | 0 | 115.4 | ||||
| 41 | T | 30.6 | Very low | 29.2 | Very low | 80 Ų | 80 | 115.8 Ų | 115.8 | 49% | 0.491 | 69% | 0.685 | S | S | . | * | trans | 69.8 | 133.1 | 151.5 | 46.4 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 42 | R | 27.6 | Very low | 28.8 | Very low | 203 Ų | 203 | 115.8 Ų | 115.8 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | trans | 84.9 | 117.9 | 135.1 | -72.3 | 158.7 | -165.1 | 145.6 | 2.8 | 120.7 | ||||
| 43 | N | 29.4 | Very low | 29.3 | Very low | 154 Ų | 154 | 116.8 Ų | 116.8 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | 56.6 | 103.6 | 126.9 | -55.1 | 1.1 | 0 | 0 | 0 | 119.4 | |||||
| 44 | A | 29 | Very low | 29.9 | Very low | 96 Ų | 96 | 120.6 Ų | 120.6 | 79% | 0.793 | 69% | 0.693 | S | S | * | * | -157.6 | 111 | 119.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 45 | V | 33.4 | Very low | 30.4 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 86% | 0.855 | 70% | 0.695 | S | S | * | * | trans | -69.7 | 127.9 | 153.3 | 167.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 46 | P | 39.1 | Very low | 30.8 | Very low | 100 Ų | 100 | 124.3 Ų | 124.3 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | -147 | 134 | 112.4 | 40 | -23.6 | 0 | 0 | 0 | 113.9 | |||||
| 47 | V | 29.1 | Very low | 31.2 | Very low | 115 Ų | 115 | 123.4 Ų | 123.4 | 70% | 0.697 | 70% | 0.701 | S | S | * | * | 81.5 | 133.9 | 98.7 | 168.9 | 0 | 0 | 0 | 0 | 113.9 | F49 | V47-F49 HydrophobicContact CG1-CE2 4.41Š| |||
| 48 | C | 28.9 | Very low | 31.4 | Very low | 89 Ų | 89 | 123.3 Ų | 123.3 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | cis | -172.1 | -176.1 | -12.3 | -103.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 49 | F | 28.6 | Very low | 31.4 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 80% | 0.803 | 72% | 0.724 | S | S | * | * | trans | 78.7 | 133.6 | 157.7 | -48.1 | -64.4 | 0 | 0 | 0 | 116.6 | V47 | V47-F49 HydrophobicContact CG1-CE2 4.41Š| ||
| 50 | S | 34 | Very low | 31.3 | Very low | 93 Ų | 93 | 128.4 Ų | 128.4 | 65% | 0.65 | 73% | 0.732 | S | S | * | * | cis | -151.1 | 143 | -11 | -94.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 51 | D | 26.8 | Very low | 31.3 | Very low | 149 Ų | 149 | 132 Ų | 132 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | cis | 85 | 112 | 43 | -172.6 | 30.6 | 0 | 0 | 0 | 113 | ||||
| 52 | S | 33.5 | Very low | 31.5 | Very low | 99 Ų | 99 | 137.8 Ų | 137.8 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | -176.4 | 106.5 | 162.4 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 53 | D | 35.3 | Very low | 32.3 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | 45.9 | 112.4 | 141.5 | -39.5 | -78.5 | 0 | 0 | 0 | 118.4 | ||||
| 54 | D | 34.2 | Very low | 32.4 | Very low | 159 Ų | 159 | 137 Ų | 137 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | cis | 88.3 | 159.5 | 25.5 | -139.5 | -14.7 | 0 | 0 | 0 | 115.6 | ||||
| 55 | E | 38.1 | Very low | 32.7 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | 77.2 | 143.2 | -173.9 | -52.6 | -103.3 | 140 | 0 | 0 | 118.6 | ||||
| 56 | D | 32 | Very low | 32.5 | Very low | 138 Ų | 138 | 141.8 Ų | 141.8 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | cis | -163.8 | -165.6 | -44.1 | -158.5 | -8.6 | 0 | 0 | 0 | 109.2 | ||||
| 57 | V | 31.3 | Very low | 32.1 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | trans | 92.5 | 71.4 | 160.5 | -160.3 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 58 | A | 28.6 | Very low | 32 | Very low | 84 Ų | 84 | 144.1 Ų | 144.1 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | 35.7 | 104.1 | 115.8 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 59 | A | 29.3 | Very low | 32.1 | Very low | 87 Ų | 87 | 146.6 Ų | 146.6 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | 80.5 | 150.8 | 115.9 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 60 | H | 29.6 | Very low | 32 | Very low | 148 Ų | 148 | 145 Ų | 145 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | 90.1 | 114.6 | 150.2 | -76.5 | -41.6 | 0 | 0 | 0 | 123.3 | ||||
| 61 | R | 29.2 | Very low | 31.8 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 80% | 0.8 | 77% | 0.774 | S | S | * | * | trans | 93.8 | 137.2 | 132.2 | -70.5 | 173.5 | 176.1 | 106.9 | 1 | 120.9 | ||||
| 62 | K | 35.2 | Very low | 31.9 | Very low | 200 Ų | 200 | 147.5 Ų | 147.5 | 87% | 0.87 | 78% | 0.777 | S | S | * | * | trans | -57.8 | 162.7 | 162.2 | -58.7 | 176.4 | -178.4 | 179.4 | 0 | 110.7 | ||||
| 63 | P | 43.3 | Very low | 31.9 | Very low | 130 Ų | 130 | 152 Ų | 152 | 84% | 0.844 | 79% | 0.787 | S | S | * | * | cis | -147.6 | -137.9 | 44.4 | 43.3 | -20.3 | 0 | 0 | 0 | 116.7 | ||||
| 64 | R | 31.3 | Very low | 31.7 | Very low | 212 Ų | 212 | 154.5 Ų | 154.5 | 80% | 0.8 | 80% | 0.795 | S | S | * | * | trans | -114.7 | 151.6 | -157.6 | -52.4 | 167.5 | 91.2 | 178 | 9.3 | 113.2 | ||||
| 65 | R | 35.3 | Very low | 31.7 | Very low | 202 Ų | 202 | 154.9 Ų | 154.9 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | trans | 80 | 128.9 | 137.5 | -89.4 | -167 | 148.1 | 145 | 0.6 | 123.1 | ||||
| 66 | N | 29.5 | Very low | 31.3 | Very low | 135 Ų | 135 | 153.5 Ų | 153.5 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 93.3 | 142.7 | 133.5 | -72.8 | 22.7 | 0 | 0 | 0 | 121.5 | ||||
| 67 | A | 30.3 | Very low | 31.1 | Very low | 96 Ų | 96 | 150.9 Ų | 150.9 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | 67.1 | 150.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 68 | I | 28.8 | Very low | 31.1 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | cis | -134.7 | 179.5 | 29.1 | -74.4 | 166.5 | 0 | 0 | 0 | 111.1 | ||||
| 69 | I | 29.8 | Very low | 31.1 | Very low | 142 Ų | 142 | 152.7 Ų | 152.7 | 73% | 0.728 | 79% | 0.794 | S | S | * | * | trans | -118.3 | 158.8 | -179.9 | -82.1 | 171 | 0 | 0 | 0 | 110.3 | ||||
| 70 | D | 26.2 | Very low | 31.2 | Very low | 148 Ų | 148 | 156.8 Ų | 156.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 89.8 | 144 | 162.9 | -72.5 | -26.5 | 0 | 0 | 0 | 123.1 | ||||
| 71 | S | 30.9 | Very low | 31.1 | Very low | 112 Ų | 112 | 154.7 Ų | 154.7 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 84.3 | 161.2 | 146 | -72.8 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 72 | E | 28.7 | Very low | 31.1 | Very low | 183 Ų | 183 | 151.2 Ų | 151.2 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | 72.9 | 102.3 | 174.3 | 80 | -154.9 | 161.8 | 0 | 0 | 117.9 | ||||
| 73 | E | 33.9 | Very low | 30.9 | Very low | 193 Ų | 193 | 146 Ų | 146 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | cis | 79.1 | 128.5 | 26.9 | -157.6 | 177 | -134.7 | 0 | 0 | 114.9 | ||||
| 74 | E | 30.5 | Very low | 30.3 | Very low | 193 Ų | 193 | 146.1 Ų | 146.1 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -137.7 | 139.3 | 168.1 | -168.4 | 173.9 | -139.2 | 0 | 0 | 111.3 | ||||
| 75 | E | 33.7 | Very low | 30.3 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -84.6 | 168.3 | -175.2 | -67.6 | -170.7 | 96.7 | 0 | 0 | 114.8 | ||||
| 76 | V | 29 | Very low | 30.1 | Very low | 151 Ų | 151 | 136.5 Ų | 136.5 | 92% | 0.915 | 79% | 0.793 | S | S | * | * | trans | -136.8 | 95.5 | 130.2 | -98.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 77 | A | 29.3 | Very low | 30.1 | Very low | 82 Ų | 82 | 133.6 Ų | 133.6 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | trans | 36.5 | 132.8 | 147.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 78 | A | 30 | Very low | 30 | Very low | 93 Ų | 93 | 137 Ų | 137 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | -174.9 | 146.2 | 54.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 79 | E | 30 | Very low | 30 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.724 | 79% | 0.793 | S | S | * | * | trans | -11.6 | 138.6 | 164 | -49.6 | 178.6 | 163.6 | 0 | 0 | 118.7 | ||||
| 80 | K | 31.4 | Very low | 30 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | -172.3 | 162 | 66.8 | -125.4 | 122.4 | -175.6 | 158 | 0 | 116.3 | |||||
| 81 | S | 27.8 | Very low | 30.8 | Very low | 104 Ų | 104 | 136.1 Ų | 136.1 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 65.9 | 93 | 149.4 | 57.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 82 | V | 28.6 | Very low | 30.5 | Very low | 140 Ų | 140 | 134.9 Ų | 134.9 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | 59.5 | 94 | 107.5 | 179.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 83 | A | 31.2 | Very low | 30.4 | Very low | 91 Ų | 91 | 131.8 Ų | 131.8 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | 87.6 | 146.4 | 115.8 | 0 | 0 | 0 | 0 | 0 | 125.4 | |||||
| 84 | V | 31 | Very low | 30.1 | Very low | 132 Ų | 132 | 127.7 Ų | 127.7 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | trans | 106.2 | 115.4 | 138.5 | 139.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 85 | V | 31 | Very low | 30 | Very low | 138 Ų | 138 | 121.7 Ų | 121.7 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | trans | 61.4 | 136.9 | 154.2 | 177.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 86 | G | 30.2 | Very low | 29.8 | Very low | 73 Ų | 73 | 122.1 Ų | 122.1 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | cis | 133.1 | 141 | -5.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 87 | G | 29.2 | Very low | 29.7 | Very low | 74 Ų | 74 | 122.9 Ų | 122.9 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | trans | 159.4 | 110.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 88 | Q | 29.9 | Very low | 29.7 | Very low | 168 Ų | 168 | 123.9 Ų | 123.9 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 58.4 | 140.9 | 137.5 | -69.3 | -158.9 | 31.6 | 0 | 0 | 125.9 | ||||
| 89 | R | 27.6 | Very low | 29.7 | Very low | 219 Ų | 219 | 127.5 Ų | 127.5 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | 98.7 | 115.2 | 138.6 | -84.5 | 168.2 | -173.7 | -146.1 | -6 | 122.7 | ||||
| 90 | S | 31 | Very low | 30.3 | Very low | 102 Ų | 102 | 125.1 Ų | 125.1 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | trans | -30.1 | 161.2 | 142.1 | 56.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 91 | P | 41.6 | Very low | 30.2 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | -158 | -177.2 | 48.8 | 45.6 | -24.8 | 0 | 0 | 0 | 121.1 | ||||
| 92 | A | 25.7 | Very low | 30.3 | Very low | 87 Ų | 87 | 125.7 Ų | 125.7 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | trans | 67.9 | 138.1 | 148.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 93 | S | 26.8 | Very low | 30.2 | Very low | 118 Ų | 118 | 122 Ų | 122 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | cis | 76.8 | 136.2 | 42.6 | -160.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 94 | S | 26.8 | Very low | 30.1 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | cis | -140.6 | 178.8 | 29 | 47.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 95 | G | 28.5 | Very low | 30.2 | Very low | 66 Ų | 66 | 129.9 Ų | 129.9 | 68% | 0.68 | 75% | 0.752 | S | S | * | * | cis | 98.4 | 149.2 | 27.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 96 | E | 29.9 | Very low | 30 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | cis | -155.1 | 149.3 | 7.1 | -93.2 | 177.3 | 111.8 | 0 | 0 | 111.8 | ||||
| 97 | E | 26.4 | Very low | 30 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 78% | 0.78 | 74% | 0.741 | S | S | * | * | trans | 47.9 | 131.7 | 130.1 | -53 | -67.7 | 127.5 | 0 | 0 | 123.8 | ||||
| 98 | A | 28.8 | Very low | 30.1 | Very low | 103 Ų | 103 | 137 Ų | 137 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | -178.5 | 110.9 | 125.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 99 | E | 30.1 | Very low | 30 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | trans | -74.4 | -175.8 | 160.5 | -79.6 | -84.6 | 157.6 | 0 | 0 | 110.9 | ||||
| 100 | P | 42.1 | Very low | 30.7 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | cis | -155.1 | -177.2 | 21.7 | 48.5 | -27.9 | 0 | 0 | 0 | 120.7 | ||||
| 101 | E | 29.5 | Very low | 30.7 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | trans | 61 | 153 | 149.7 | -60.5 | -122.9 | 116 | 0 | 0 | 120.4 | ||||
| 102 | E | 29.8 | Very low | 30.3 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 57% | 0.565 | 76% | 0.757 | S | S | * | * | cis | -133.1 | 159.7 | -13.2 | -105.7 | -145.9 | 135.2 | 0 | 0 | 106.4 | R104 | E102-R104 VanDerWaalsContact CD-NH2 3.26Å; E102-R104 IonicContact OE1-CZ 2.73Å; E102-R104 IonicContact OE1-NE 3.3Å; E102-R104 PolarHBondContact OE1-NE 3.29Å; E102-R104 IonicContact OE1-NH2 2.71Å; E102-R104 PolarHBondContact OE1-NH2 3.07Å; E102-R104 IonicContact OE2-CZ 2.65Å; E102-R104 VanDerWaalsContact OE2-CZ 3.3Å; E102-R104 IonicContact OE2-NE 2.77Å; E102-R104 PolarHBondContact OE2-NE 3.38Å; E102-R104 IonicContact OE2-NH2 3.39Å; E102-R104 PolarHBondContact OE2-NH2 2.81Å | ||
| 103 | G | 27.4 | Very low | 30.6 | Very low | 62 Ų | 62 | 136.6 Ų | 136.6 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | cis | 155.4 | -174.3 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 104 | R | 30.1 | Very low | 31.5 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 63% | 0.634 | 76% | 0.756 | S | S | * | * | trans | 77.9 | 107.3 | 162.2 | -57.2 | 163.3 | -168.2 | -99.3 | -15.2 | 116.4 | E102 | E102-R104 VanDerWaalsContact CD-NH2 3.26Å; E102-R104 IonicContact OE1-CZ 2.73Å; E102-R104 IonicContact OE1-NE 3.3Å; E102-R104 PolarHBondContact OE1-NE 3.29Å; E102-R104 IonicContact OE1-NH2 2.71Å; E102-R104 PolarHBondContact OE1-NH2 3.07Å; E102-R104 IonicContact OE2-CZ 2.65Å; E102-R104 VanDerWaalsContact OE2-CZ 3.3Å; E102-R104 IonicContact OE2-NE 2.77Å; E102-R104 PolarHBondContact OE2-NE 3.38Å; E102-R104 IonicContact OE2-NH2 3.39Å; E102-R104 PolarHBondContact OE2-NH2 2.81Å | ||
| 105 | R | 31.3 | Very low | 32.2 | Very low | 222 Ų | 222 | 138.2 Ų | 138.2 | 84% | 0.838 | 76% | 0.756 | S | S | * | * | 79.8 | 139.5 | 87.7 | -75.4 | 170 | -161.3 | -159.1 | 6.9 | 113.1 | |||||
| 106 | S | 27 | Very low | 32.5 | Very low | 102 Ų | 102 | 142.7 Ų | 142.7 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | cis | -162.6 | 157.2 | 10 | -175.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 107 | S | 30.4 | Very low | 32.7 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 66% | 0.657 | 76% | 0.758 | S | S | * | * | trans | 47.7 | 112.2 | 143.7 | 59.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 108 | R | 32.5 | Very low | 33.4 | Very low | 237 Ų | 237 | 139.4 Ų | 139.4 | 89% | 0.894 | 77% | 0.768 | S | S | * | * | 44.8 | 116.3 | 103.7 | -172.8 | -168.2 | -157.8 | 166.4 | 6.7 | 118.5 | |||||
| 109 | T | 27.1 | Very low | 34.2 | Very low | 134 Ų | 134 | 142.8 Ų | 142.8 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | -177.5 | 159.2 | 122.1 | -74.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 110 | I | 41.7 | Very low | 34.7 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -97.8 | 134.2 | -177.5 | -61.5 | 160 | 0 | 0 | 0 | 110.8 | ||||
| 111 | S | 31.7 | Very low | 34.9 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | -160.3 | 103.8 | 159 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 112 | Q | 32.8 | Very low | 35.8 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | 51.8 | 139 | 142.1 | -59.5 | 179.6 | 2 | 0 | 0 | 122 | ||||
| 113 | A | 32.6 | Very low | 36.8 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | trans | -74.4 | 177.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 114 | P | 45.9 | Very low | 37.9 | Very low | 117 Ų | 117 | 140.6 Ų | 140.6 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | cis | -149.1 | 169.1 | 21.6 | 45.2 | -25.9 | 0 | 0 | 0 | 120.4 | ||||
| 115 | D | 40.1 | Very low | 39.1 | Very low | 141 Ų | 141 | 137.6 Ų | 137.6 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | 62.4 | 165.5 | 150.6 | -126.1 | -13.4 | 0 | 0 | 0 | 120.2 | ||||
| 116 | D | 34.8 | Very low | 40.3 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | trans | 64 | 141.5 | -174.6 | -54.1 | -34.8 | 0 | 0 | 0 | 114.8 | ||||
| 117 | G | 34.3 | Very low | 41.6 | Very low | 67 Ų | 67 | 137.1 Ų | 137.1 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | cis | -165 | 162.6 | -5.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | E119 | G117-E119 PolarHBondContact O-N 3.42Š| ||
| 118 | E | 41.8 | Very low | 42.7 | Very low | 208 Ų | 208 | 140.2 Ų | 140.2 | 97% | 0.972 | 72% | 0.72 | S | S | * | * | trans | -74.5 | 86.3 | -164.5 | -62.8 | 175.9 | -170.5 | 0 | 0 | 115.4 | ||||
| 119 | E | 44.5 | Very low | 43.9 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 70% | 0.704 | S | S | * | * | trans | -128 | -7.9 | 170.3 | -68.8 | -166.6 | 165.2 | 0 | 0 | 115.7 | G117 | G117-E119 PolarHBondContact O-N 3.42Š| ||
| 120 | E | 41.6 | Very low | 45.6 | Very low | 134 Ų | 134 | 132.4 Ų | 132.4 | 63% | 0.626 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -85 | -13 | -167.9 | -133.5 | -147.2 | 167.1 | 0 | 0 | 116.1 | K124 | E120-K124 WeakPolarHBondContact OE1-CE 3.45Å; E120-K124 IonicContact OE1-NZ 2.87Å; E120-K124 PolarHBondContact OE1-NZ 3.01Å; E120-K124 IonicContact OE2-NZ 2.8Å; E120-K124 PolarHBondContact OE2-NZ 3.18Å |
| 121 | E | 45.4 | Very low | 46.6 | Very low | 137 Ų | 137 | 134.2 Ų | 134.2 | 64% | 0.64 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -73.7 | -43.9 | -177.9 | -88.4 | -132.5 | 147.6 | 0 | 0 | 113.3 | K124 K125 | E121-K124 PolarHBondContact O-N 3.17Å; E121-K125 WeakPolarHBondContact O-CG 3.47Å; E121-K125 PolarHBondContact O-N 2.82Å; E121-K125 WeakPolarHBondContact OE2-CE 3.25Å; E121-K125 IonicContact OE2-NZ 3.23Å; E121-K125 PolarHBondContact OE2-NZ 3.4Å |
| 122 | D | 49 | Very low | 48.1 | Very low | 107 Ų | 107 | 134.7 Ų | 134.7 | 57% | 0.572 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -78.7 | -26.4 | -167.7 | -68.4 | -31.5 | 0 | 0 | 0 | 112.9 | K124 K125 R126 | D122-K124 VanDerWaalsContact C-N 3.33Å; D122-K125 PolarHBondContact O-N 3.37Å; D122-K125 WeakPolarHBondContact OD1-CD 3.37Å; D122-K125 IonicContact OD1-NZ 2.77Å; D122-K125 PolarHBondContact OD1-NZ 2.94Å; D122-R126 WeakPolarHBondContact O-CB 3.37Å; D122-R126 PolarHBondContact O-N 3.14Å |
| 123 | V | 50.5 | Low | 49.7 | Very low | 99 Ų | 99 | 131.4 Ų | 131.4 | 60% | 0.6 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -59.1 | -47.3 | 166 | -175.9 | 0 | 0 | 0 | 0 | 110 | K125 R126 E127 | V123-K125 PolarHBondContact O-N 3.26Å; V123-R126 PolarHBondContact O-N 3.06Å; V123-E127 WeakPolarHBondContact O-CB 3.34Å; V123-E127 PolarHBondContact O-N 3.21Å |
| 124 | K | 51.7 | Low | 51.8 | Low | 101 Ų | 101 | 131.5 Ų | 131.5 | 44% | 0.439 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -68.5 | -30.4 | -179.7 | -69.4 | 173.9 | -177.8 | 173.6 | 0 | 112.9 | E120 E121 D122 K128 | E120-K124 WeakPolarHBondContact OE1-CE 3.45Å; E120-K124 IonicContact OE1-NZ 2.87Å; E120-K124 PolarHBondContact OE1-NZ 3.01Å; E120-K124 IonicContact OE2-NZ 2.8Å; E120-K124 PolarHBondContact OE2-NZ 3.18Å; E121-K124 PolarHBondContact O-N 3.17Å; D122-K124 VanDerWaalsContact C-N 3.33Å; K124-K128 WeakPolarHBondContact O-CB 3.39Å; K124-K128 PolarHBondContact O-N 3.33Å; K124-K128 VanDerWaalsContact O-N 3.15Å |
| 125 | K | 55.4 | Low | 53.5 | Low | 105 Ų | 105 | 132.7 Ų | 132.7 | 46% | 0.457 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -69.9 | -44.8 | 170.6 | -68.5 | 170.8 | -158.7 | 149.1 | 0 | 111.7 | E121 D122 V123 K128 S129 | E121-K125 WeakPolarHBondContact O-CG 3.47Å; E121-K125 PolarHBondContact O-N 2.82Å; E121-K125 WeakPolarHBondContact OE2-CE 3.25Å; E121-K125 IonicContact OE2-NZ 3.23Å; E121-K125 PolarHBondContact OE2-NZ 3.4Å; D122-K125 PolarHBondContact O-N 3.37Å; D122-K125 WeakPolarHBondContact OD1-CD 3.37Å; D122-K125 IonicContact OD1-NZ 2.77Å; D122-K125 PolarHBondContact OD1-NZ 2.94Å; V123-K125 PolarHBondContact O-N 3.26Å; K125-K128 PolarHBondContact O-N 2.89Å; K125-S129 WeakPolarHBondContact O-CB 3.32Å; K125-S129 PolarHBondContact O-N 2.78Å |
| 126 | R | 55.3 | Low | 55.2 | Low | 185 Ų | 185 | 133.6 Ų | 133.6 | 70% | 0.698 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.2 | -43.6 | 178.7 | -170.3 | 172.3 | -178.6 | 168.4 | 0.4 | 111.9 | D122 V123 S129 Q130 | D122-R126 WeakPolarHBondContact O-CB 3.37Å; D122-R126 PolarHBondContact O-N 3.14Å; V123-R126 PolarHBondContact O-N 3.06Å; R126-S129 WeakPolarHBondContact O-CB 3.46Å; R126-S129 PolarHBondContact O-N 2.95Å; R126-Q130 PolarHBondContact O-N 2.85Å |
| 127 | E | 54.5 | Low | 57.5 | Low | 128 Ų | 128 | 131.1 Ų | 131.1 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.5 | -41.9 | 177.3 | -168.1 | -178.9 | -156.5 | 0 | 0 | 112.2 | V123 S129 Q130 R131 | V123-E127 WeakPolarHBondContact O-CB 3.34Å; V123-E127 PolarHBondContact O-N 3.21Å; E127-S129 VanDerWaalsContact C-N 3.31Å; E127-S129 PolarHBondContact O-N 3.24Å; E127-Q130 PolarHBondContact O-N 2.67Å; E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 PolarHBondContact O-N 3.32Å |
| 128 | K | 53.2 | Low | 59.6 | Low | 160 Ų | 160 | 133 Ų | 133 | 70% | 0.696 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -59 | -40.7 | 170.7 | -100.8 | -176.6 | 173.6 | 179 | 0 | 112.5 | K124 K125 R131 N132 | K124-K128 WeakPolarHBondContact O-CB 3.39Å; K124-K128 PolarHBondContact O-N 3.33Å; K124-K128 VanDerWaalsContact O-N 3.15Å; K125-K128 PolarHBondContact O-N 2.89Å; K128-R131 PolarHBondContact O-N 2.93Å; K128-N132 WeakPolarHBondContact O-CB 3.42Å; K128-N132 PolarHBondContact O-N 3.38Å |
| 129 | S | 58.1 | Low | 61.2 | Low | 80 Ų | 80 | 132.3 Ų | 132.3 | 56% | 0.559 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.3 | -48.7 | 178.5 | -170.4 | 0 | 0 | 0 | 0 | 111.4 | K125 R126 E127 R131 N132 H133 | K125-S129 WeakPolarHBondContact O-CB 3.32Å; K125-S129 PolarHBondContact O-N 2.78Å; R126-S129 WeakPolarHBondContact O-CB 3.46Å; R126-S129 PolarHBondContact O-N 2.95Å; E127-S129 VanDerWaalsContact C-N 3.31Å; E127-S129 PolarHBondContact O-N 3.24Å; S129-R131 PolarHBondContact O-N 3.44Å; S129-N132 PolarHBondContact O-N 3.2Å; S129-H133 PolarHBondContact O-N 3Å |
| 130 | Q | 61.7 | Low | 62.4 | Low | 127 Ų | 127 | 127 Ų | 127 | 59% | 0.593 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.5 | -42.9 | 175.9 | -72.7 | 179.8 | -35.6 | 0 | 0 | 112.2 | R126 E127 N132 H133 E134 | R126-Q130 PolarHBondContact O-N 2.85Å; E127-Q130 PolarHBondContact O-N 2.67Å; Q130-N132 VanDerWaalsContact C-N 3.31Å; Q130-N132 PolarHBondContact O-N 3.45Å; Q130-H133 PolarHBondContact O-N 3.45Å; Q130-E134 PolarHBondContact O-N 3.11Å |
| 131 | R | 63.8 | Low | 64.4 | Low | 200 Ų | 200 | 125.7 Ų | 125.7 | 76% | 0.755 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.6 | -32.8 | 176.8 | -167.2 | 172.5 | -176.7 | 177.2 | 1.2 | 112.9 | E127 K128 S129 K135 | E127-R131 WeakPolarHBondContact O-CB 3.4Å; E127-R131 PolarHBondContact O-N 3.32Å; K128-R131 PolarHBondContact O-N 2.93Å; S129-R131 PolarHBondContact O-N 3.44Å; R131-K135 VanDerWaalsContact O-CB 3.31Å; R131-K135 WeakPolarHBondContact O-CB 3.36Å; R131-K135 PolarHBondContact O-N 3.04Å |
| 132 | N | 63.8 | Low | 66.2 | Low | 114 Ų | 114 | 122 Ų | 122 | 61% | 0.61 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.6 | -38.3 | 171.8 | -87.6 | -7.8 | 0 | 0 | 0 | 112.5 | K128 S129 Q130 K135 K136 | K128-N132 WeakPolarHBondContact O-CB 3.42Å; K128-N132 PolarHBondContact O-N 3.38Å; S129-N132 PolarHBondContact O-N 3.2Å; Q130-N132 VanDerWaalsContact C-N 3.31Å; Q130-N132 PolarHBondContact O-N 3.45Å; N132-K135 PolarHBondContact O-N 3.24Å; N132-K136 WeakPolarHBondContact O-CB 3.33Å; N132-K136 PolarHBondContact O-N 3.11Å |
| 133 | H | 65 | Low | 67.6 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 57% | 0.574 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.5 | -46.8 | 175.3 | -173.5 | 87.2 | 0 | 0 | 0 | 111.3 | S129 Q130 K135 K136 K137 | S129-H133 PolarHBondContact O-N 3Å; Q130-H133 PolarHBondContact O-N 3.45Å; H133-K135 PolarHBondContact O-N 3.46Å; H133-K136 PolarHBondContact O-N 3.34Å; H133-K137 WeakPolarHBondContact O-CB 3.14Å; H133-K137 PolarHBondContact O-N 3.38Å |
| 134 | E | 78.4 | Confident | 69 | Low | 94 Ų | 94 | 123.5 Ų | 123.5 | 44% | 0.439 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.6 | -48 | 173.8 | -169.9 | 57.9 | -135.1 | 0 | 0 | 110.9 | Q130 K136 K137 Q138 | Q130-E134 PolarHBondContact O-N 3.11Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 PolarHBondContact O-N 3.3Å; E134-K137 PolarHBondContact O-N 3.14Å; E134-K137 VanDerWaalsContact O-N 3.12Å; E134-Q138 WeakPolarHBondContact O-CG 3.2Å; E134-Q138 PolarHBondContact O-N 2.99Å; E134-Q138 PolarHBondContact OE1-NE2 3.19Å |
| 135 | K | 79.8 | Confident | 70.5 | Confident | 142 Ų | 142 | 126.2 Ų | 126.2 | 62% | 0.617 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -61.7 | -33.5 | 176.8 | -166.8 | 176.2 | -177.7 | -175.9 | 0 | 112.9 | R131 N132 H133 R139 | R131-K135 VanDerWaalsContact O-CB 3.31Å; R131-K135 WeakPolarHBondContact O-CB 3.36Å; R131-K135 PolarHBondContact O-N 3.04Å; N132-K135 PolarHBondContact O-N 3.24Å; H133-K135 PolarHBondContact O-N 3.46Å; K135-R139 WeakPolarHBondContact O-CG 3.5Å; K135-R139 PolarHBondContact O-N 3.03Å; K135-R139 VanDerWaalsContact O-N 3.09Å |
| 136 | K | 77.1 | Confident | 71.6 | Confident | 161 Ų | 161 | 127 Ų | 127 | 70% | 0.7 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.6 | -43.6 | 173.1 | -168.9 | 177.5 | -179.5 | -176.6 | 0 | 111.1 | N132 H133 E134 Q138 R139 S140 | N132-K136 WeakPolarHBondContact O-CB 3.33Å; N132-K136 PolarHBondContact O-N 3.11Å; H133-K136 PolarHBondContact O-N 3.34Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 PolarHBondContact O-N 3.3Å; K136-Q138 VanDerWaalsContact C-N 3.35Å; K136-Q138 PolarHBondContact O-N 2.73Å; K136-R139 PolarHBondContact O-N 2.65Å; K136-S140 PolarHBondContact O-N 2.71Å |
| 137 | K | 83 | Confident | 72.6 | Confident | 107 Ų | 107 | 125.2 Ų | 125.2 | 47% | 0.465 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.7 | -32.8 | 178.3 | -165.4 | 171.1 | -173.1 | 171.7 | 0 | 113.2 | H133 E134 S140 K141 | H133-K137 WeakPolarHBondContact O-CB 3.14Å; H133-K137 PolarHBondContact O-N 3.38Å; E134-K137 PolarHBondContact O-N 3.14Å; E134-K137 VanDerWaalsContact O-N 3.12Å; K137-S140 PolarHBondContact O-OG 3.24Å; K137-K141 WeakPolarHBondContact O-CG 3.45Å; K137-K141 PolarHBondContact O-N 3.18Å |
| 138 | Q | 77.9 | Confident | 73.7 | Confident | 107 Ų | 107 | 127 Ų | 127 | 50% | 0.5 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -74 | -37 | 171.4 | -61.7 | -62.8 | -20.6 | 0 | 0 | 111.9 | E134 K136 A142 | E134-Q138 WeakPolarHBondContact O-CG 3.2Å; E134-Q138 PolarHBondContact O-N 2.99Å; E134-Q138 PolarHBondContact OE1-NE2 3.19Å; K136-Q138 VanDerWaalsContact C-N 3.35Å; K136-Q138 PolarHBondContact O-N 2.73Å; Q138-A142 WeakPolarHBondContact O-CB 3.38Å; Q138-A142 PolarHBondContact O-N 2.75Å |
| 139 | R | 76.4 | Confident | 74.8 | Confident | 193 Ų | 193 | 124.6 Ų | 124.6 | 73% | 0.728 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.6 | -38.9 | 173.5 | -76.5 | -171.6 | 80.6 | -164.3 | 5.4 | 112.9 | K135 K136 A142 M143 | K135-R139 WeakPolarHBondContact O-CG 3.5Å; K135-R139 PolarHBondContact O-N 3.03Å; K135-R139 VanDerWaalsContact O-N 3.09Å; K136-R139 PolarHBondContact O-N 2.65Å; R139-A142 PolarHBondContact O-N 2.77Å; R139-M143 PolarHBondContact O-N 2.98Å |
| 140 | S | 68.4 | Low | 75.4 | Confident | 63 Ų | 63 | 127 Ų | 127 | 44% | 0.441 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.2 | -46.5 | 175.4 | 62.1 | 0 | 0 | 0 | 0 | 111 | K136 K137 A142 M143 E144 | K136-S140 PolarHBondContact O-N 2.71Å; K137-S140 PolarHBondContact O-OG 3.24Å; S140-A142 VanDerWaalsContact C-N 3.26Å; S140-A142 PolarHBondContact O-N 2.86Å; S140-M143 PolarHBondContact O-N 2.9Å; S140-M143 VanDerWaalsContact O-N 3.14Å; S140-E144 VanDerWaalsContact O-CB 3.3Å; S140-E144 WeakPolarHBondContact O-CB 3.31Å; S140-E144 PolarHBondContact O-N 3.47Å |
| 141 | K | 84.4 | Confident | 75.7 | Confident | 106 Ų | 106 | 129.2 Ų | 129.2 | 46% | 0.461 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.1 | -28.9 | 174.4 | -73.9 | -172.8 | 171.9 | -161.1 | 0 | 114.1 | K137 K145 | K137-K141 WeakPolarHBondContact O-CG 3.45Å; K137-K141 PolarHBondContact O-N 3.18Å; K141-K145 WeakPolarHBondContact O-CB 3.34Å; K141-K145 VanDerWaalsContact O-CG 3.31Å; K141-K145 WeakPolarHBondContact O-CG 3.25Å; K141-K145 PolarHBondContact O-N 2.83Å |
| 142 | A | 82.1 | Confident | 75.8 | Confident | 60 Ų | 60 | 122.1 Ų | 122.1 | 50% | 0.496 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.8 | -42.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q138 R139 S140 K145 L146 | Q138-A142 WeakPolarHBondContact O-CB 3.38Å; Q138-A142 PolarHBondContact O-N 2.75Å; R139-A142 PolarHBondContact O-N 2.77Å; S140-A142 VanDerWaalsContact C-N 3.26Å; S140-A142 PolarHBondContact O-N 2.86Å; A142-K145 PolarHBondContact O-N 3.25Å; A142-L146 WeakPolarHBondContact O-CB 3.39Å; A142-L146 PolarHBondContact O-N 2.92Å |
| 143 | M | 79.1 | Confident | 75.2 | Confident | 116 Ų | 116 | 121 Ų | 121 | 57% | 0.571 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.6 | -38.1 | 176.1 | -172.9 | -120.6 | -82.8 | 0 | 0 | 112.1 | R139 S140 L146 K147 | R139-M143 PolarHBondContact O-N 2.98Å; S140-M143 PolarHBondContact O-N 2.9Å; S140-M143 VanDerWaalsContact O-N 3.14Å; M143-L146 CarbonylContact O-C 3.53Å; M143-L146 WeakPolarHBondContact O-CB 3.37Å; M143-L146 PolarHBondContact O-N 3.47Å; M143-L146 VanDerWaalsContact O-N 3.13Å; M143-K147 PolarHBondContact O-N 3.06Å; M143-K147 HydrophobicContact SD-CD 4.5Å |
| 144 | E | 80.1 | Confident | 74.7 | Confident | 121 Ų | 121 | 123.1 Ų | 123.1 | 57% | 0.565 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.7 | -47.6 | 171.9 | -175.2 | -163.3 | 149.3 | 0 | 0 | 111.2 | S140 L146 K147 K148 | S140-E144 VanDerWaalsContact O-CB 3.3Å; S140-E144 WeakPolarHBondContact O-CB 3.31Å; S140-E144 PolarHBondContact O-N 3.47Å; E144-L146 VanDerWaalsContact C-N 3.33Å; E144-L146 PolarHBondContact O-N 3.12Å; E144-K147 PolarHBondContact O-N 3.45Å; E144-K148 WeakPolarHBondContact O-CB 3.38Å; E144-K148 PolarHBondContact O-N 2.72Å |
| 145 | K | 83.1 | Confident | 72.9 | Confident | 157 Ų | 157 | 126.6 Ų | 126.6 | 68% | 0.683 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.5 | -34.5 | 173.1 | -75.7 | -179.6 | 176.7 | -167.2 | 0 | 113.1 | K141 A142 K149 | K141-K145 WeakPolarHBondContact O-CB 3.34Å; K141-K145 VanDerWaalsContact O-CG 3.31Å; K141-K145 WeakPolarHBondContact O-CG 3.25Å; K141-K145 PolarHBondContact O-N 2.83Å; A142-K145 PolarHBondContact O-N 3.25Å; K145-K149 WeakPolarHBondContact O-CB 3.48Å; K145-K149 PolarHBondContact O-N 2.78Å |
| 146 | L | 78.1 | Confident | 71 | Confident | 121 Ų | 121 | 124.7 Ų | 124.7 | 63% | 0.634 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.5 | -43.7 | 175.8 | -167.8 | 69.7 | 0 | 0 | 0 | 111.5 | A142 M143 E144 K149 K150 | A142-L146 WeakPolarHBondContact O-CB 3.39Å; A142-L146 PolarHBondContact O-N 2.92Å; M143-L146 CarbonylContact O-C 3.53Å; M143-L146 WeakPolarHBondContact O-CB 3.37Å; M143-L146 PolarHBondContact O-N 3.47Å; M143-L146 VanDerWaalsContact O-N 3.13Å; E144-L146 VanDerWaalsContact C-N 3.33Å; E144-L146 PolarHBondContact O-N 3.12Å; L146-K149 PolarHBondContact O-N 3.08Å; L146-K150 PolarHBondContact O-N 3.13Å |
| 147 | K | 76.4 | Confident | 69.4 | Low | 148 Ų | 148 | 124.6 Ų | 124.6 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.3 | -42.7 | 171.9 | -77.3 | -158.3 | 172.3 | -159.2 | 0 | 111.2 | M143 E144 K149 K150 K151 | M143-K147 PolarHBondContact O-N 3.06Å; M143-K147 HydrophobicContact SD-CD 4.5Å; E144-K147 PolarHBondContact O-N 3.45Å; K147-K149 VanDerWaalsContact C-N 3.29Å; K147-K149 PolarHBondContact O-N 3.44Å; K147-K150 PolarHBondContact O-N 3.05Å; K147-K151 WeakPolarHBondContact O-CB 3.14Å; K147-K151 PolarHBondContact O-N 3.24Å |
| 148 | K | 77.4 | Confident | 67.4 | Low | 166 Ų | 166 | 127.4 Ų | 127.4 | 72% | 0.722 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.5 | -26.7 | 177.1 | -158.9 | 158.3 | -170.9 | 163.2 | 0 | 113 | E144 A152 | E144-K148 WeakPolarHBondContact O-CB 3.38Å; E144-K148 PolarHBondContact O-N 2.72Å; K148-A152 WeakPolarHBondContact O-CB 3.49Å; K148-A152 PolarHBondContact O-N 3.07Å |
| 149 | K | 76.5 | Confident | 65.8 | Low | 109 Ų | 109 | 131.1 Ų | 131.1 | 47% | 0.474 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -75.7 | -45.4 | 169 | -169.1 | 177.4 | 171.3 | -77.4 | 0 | 112 | K145 L146 K147 K151 A152 E153 | K145-K149 WeakPolarHBondContact O-CB 3.48Å; K145-K149 PolarHBondContact O-N 2.78Å; L146-K149 PolarHBondContact O-N 3.08Å; K147-K149 VanDerWaalsContact C-N 3.29Å; K147-K149 PolarHBondContact O-N 3.44Å; K149-K151 VanDerWaalsContact C-N 3.27Å; K149-K151 PolarHBondContact O-N 2.79Å; K149-A152 CarbonylContact O-C 3.51Å; K149-A152 WeakPolarHBondContact O-CA 3.41Å; K149-A152 PolarHBondContact O-N 3.19Å; K149-E153 HydrophobicContact CG-CG 4.48Å; K149-E153 WeakPolarHBondContact CG-OE2 3.48Å; K149-E153 IonicContact NZ-OE1 2.65Å; K149-E153 PolarHBondContact NZ-OE1 3.19Å; K149-E153 IonicContact NZ-OE2 2.66Å; K149-E153 PolarHBondContact NZ-OE2 2.99Å; K149-E153 PolarHBondContact O-N 2.83Å |
| 150 | K | 70.9 | Confident | 64.1 | Low | 132 Ų | 132 | 130.7 Ų | 130.7 | 57% | 0.574 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -61.8 | -31.4 | 174.7 | -165.8 | 176.6 | -177.2 | -177.6 | 0 | 112.3 | L146 K147 R154 | L146-K150 PolarHBondContact O-N 3.13Å; K147-K150 PolarHBondContact O-N 3.05Å; K150-R154 WeakPolarHBondContact O-CB 3.28Å; K150-R154 PolarHBondContact O-N 2.9Å |
| 151 | K | 67.9 | Low | 62.2 | Low | 172 Ų | 172 | 134.6 Ų | 134.6 | 75% | 0.748 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -77 | -23.8 | 171.2 | -174.6 | 163.8 | -178 | 168.9 | 0 | 113.5 | K147 K149 | K147-K151 WeakPolarHBondContact O-CB 3.14Å; K147-K151 PolarHBondContact O-N 3.24Å; K149-K151 VanDerWaalsContact C-N 3.27Å; K149-K151 PolarHBondContact O-N 2.79Å |
| 152 | A | 65.5 | Low | 59.9 | Low | 52 Ų | 52 | 133.8 Ų | 133.8 | 43% | 0.43 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -81.2 | -39.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | K148 K149 F155 C156 | K148-A152 WeakPolarHBondContact O-CB 3.49Å; K148-A152 PolarHBondContact O-N 3.07Å; K149-A152 CarbonylContact O-C 3.51Å; K149-A152 WeakPolarHBondContact O-CA 3.41Å; K149-A152 PolarHBondContact O-N 3.19Å; A152-F155 CarbonylContact O-C 3.51Å; A152-F155 PolarHBondContact O-N 2.86Å; A152-F155 VanDerWaalsContact O-N 3.09Å; A152-C156 PolarHBondContact O-N 3.14Å; A152-C156 PolarHBondContact O-SG 2.91Å; A152-C156 VanDerWaalsContact O-SG 3.42Å |
| 153 | E | 52.4 | Low | 57.5 | Low | 89 Ų | 89 | 135 Ų | 135 | 42% | 0.416 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -65.7 | -43.4 | 175.6 | -72 | 173.7 | 133.3 | 0 | 0 | 111 | K149 F155 C156 | K149-E153 HydrophobicContact CG-CG 4.48Å; K149-E153 WeakPolarHBondContact CG-OE2 3.48Å; K149-E153 IonicContact NZ-OE1 2.65Å; K149-E153 PolarHBondContact NZ-OE1 3.19Å; K149-E153 IonicContact NZ-OE2 2.66Å; K149-E153 PolarHBondContact NZ-OE2 2.99Å; K149-E153 PolarHBondContact O-N 2.83Å; E153-F155 PolarHBondContact O-N 3.45Å; E153-C156 PolarHBondContact O-N 2.86Å |
| 154 | R | 52.8 | Low | 55.7 | Low | 170 Ų | 170 | 137.3 Ų | 137.3 | 64% | 0.642 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 4.5 | 171.2 | -144.8 | -161.3 | -56.1 | -153.7 | 7.1 | 114.7 | K150 | K150-R154 WeakPolarHBondContact O-CB 3.28Å; K150-R154 PolarHBondContact O-N 2.9Å |
| 155 | F | 41.2 | Very low | 53.6 | Low | 167 Ų | 167 | 137.1 Ų | 137.1 | 73% | 0.732 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 12.8 | 172.3 | -160.6 | -96.8 | 0 | 0 | 0 | 111.1 | A152 E153 | A152-F155 CarbonylContact O-C 3.51Å; A152-F155 PolarHBondContact O-N 2.86Å; A152-F155 VanDerWaalsContact O-N 3.09Å; E153-F155 PolarHBondContact O-N 3.45Å |
| 156 | C | 41.2 | Very low | 51.4 | Low | 102 Ų | 102 | 135.9 Ų | 135.9 | 69% | 0.689 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -126.6 | 7.2 | 173 | -61.5 | 0 | 0 | 0 | 0 | 112.1 | A152 E153 | A152-C156 PolarHBondContact O-N 3.14Å; A152-C156 PolarHBondContact O-SG 2.91Å; A152-C156 VanDerWaalsContact O-SG 3.42Å; E153-C156 PolarHBondContact O-N 2.86Å |
| 157 | E | 42.1 | Very low | 49.1 | Very low | 158 Ų | 158 | 135.9 Ų | 135.9 | 74% | 0.738 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -109.9 | 6.4 | -179.2 | -69.5 | 175.5 | 153 | 0 | 0 | 112.3 | ||
| 158 | E | 41.6 | Very low | 46.8 | Very low | 167 Ų | 167 | 136.3 Ų | 136.3 | 78% | 0.78 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -109.2 | 10.6 | 178.4 | -64.9 | -177 | 142.7 | 0 | 0 | 113.2 | ||
| 159 | E | 44.7 | Very low | 45.1 | Very low | 185 Ų | 185 | 136.5 Ų | 136.5 | 86% | 0.864 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -135.5 | 38.3 | -174.1 | -155.8 | 177.8 | -146.8 | 0 | 0 | 113.7 | ||
| 160 | E | 39.7 | Very low | 42.9 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -153.1 | 160.1 | 165.5 | -139 | 167.8 | -163.7 | 0 | 0 | 113.3 | ||
| 161 | D | 29.1 | Very low | 41.4 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 78% | 0.781 | 75% | 0.753 | S | S | * | * | trans | 59.3 | 78.5 | 170.4 | -80.2 | -17.7 | 0 | 0 | 0 | 120.8 | ||||
| 162 | G | 35.2 | Very low | 39.8 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 92% | 0.918 | 75% | 0.748 | S | S | * | * | trans | -91.4 | 78.2 | 147.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 163 | A | 31.6 | Very low | 38.3 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 70% | 0.702 | 77% | 0.77 | S | S | * | * | trans | -156.6 | 123.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 164 | L | 41.2 | Very low | 38.3 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | -91.1 | 142.2 | 176.1 | -66.4 | 173.4 | 0 | 0 | 0 | 113 | ||||
| 165 | P | 36.3 | Very low | 37.3 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | trans | -104.2 | 102.2 | 161.5 | 34.2 | -26.4 | 0 | 0 | 0 | 112 | ||||
| 166 | V | 36.7 | Very low | 36.8 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -95.5 | 123.4 | 172.6 | 176.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 167 | V | 30.2 | Very low | 36.4 | Very low | 121 Ų | 121 | 136.1 Ų | 136.1 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | trans | -158.9 | 129.5 | 173.6 | -97.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 168 | L | 28 | Very low | 36.7 | Very low | 156 Ų | 156 | 135 Ų | 135 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | cis | -139.8 | 155.8 | 0.5 | -79.3 | 163.3 | 0 | 0 | 0 | 109.5 | ||||
| 169 | N | 42.7 | Very low | 36.8 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 91% | 0.914 | 81% | 0.812 | S | S | * | * | trans | -130.2 | 128.5 | 157.5 | -134 | -6.3 | 0 | 0 | 0 | 106.9 | ||||
| 170 | D | 29.9 | Very low | 36.6 | Very low | 150 Ų | 150 | 132.3 Ų | 132.3 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -134.6 | 102.2 | -177.1 | -173.1 | 11.8 | 0 | 0 | 0 | 112.7 | ||||
| 171 | S | 39.8 | Very low | 36.3 | Very low | 120 Ų | 120 | 131.7 Ų | 131.7 | 84% | 0.839 | 80% | 0.802 | S | S | * | * | trans | -152.2 | 57.3 | 160.3 | 65.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 172 | G | 34.5 | Very low | 37 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | trans | -79.1 | 173.8 | -161.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 173 | C | 32.8 | Very low | 37.1 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 89% | 0.892 | 80% | 0.8 | S | S | * | * | trans | -152.5 | 158.6 | 148.5 | -106.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 174 | P | 52 | Low | 37.2 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | trans | -103 | -172 | -160.8 | 40.8 | -37.6 | 0 | 0 | 0 | 115 | ||||
| 175 | L | 32.8 | Very low | 36.9 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | trans | 84.9 | 138.3 | -176.4 | -48.7 | 174.6 | 0 | 0 | 0 | 113.2 | ||||
| 176 | G | 31.8 | Very low | 36.8 | Very low | 64 Ų | 64 | 131.6 Ų | 131.6 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | cis | 160.7 | 142.1 | -6.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 177 | D | 32.5 | Very low | 37.2 | Very low | 165 Ų | 165 | 132.2 Ų | 132.2 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | 75.2 | 112.7 | 170.5 | -53.9 | -18.7 | 0 | 0 | 0 | 118.5 | ||||
| 178 | P | 46.7 | Very low | 37.7 | Very low | 136 Ų | 136 | 134.4 Ų | 134.4 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | trans | -116.8 | 89.4 | 170.7 | 37 | -23.2 | 0 | 0 | 0 | 112.6 | ||||
| 179 | D | 44.2 | Very low | 38.5 | Very low | 147 Ų | 147 | 134.9 Ų | 134.9 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -162.6 | 104 | 168.6 | -171 | 8.7 | 0 | 0 | 0 | 111 | ||||
| 180 | L | 40.9 | Very low | 38.9 | Very low | 147 Ų | 147 | 135.8 Ų | 135.8 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -162.1 | 55.9 | 173.7 | -145 | 71 | 0 | 0 | 0 | 116.3 | ||||
| 181 | F | 33.6 | Very low | 39.8 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 75% | 0.746 | 80% | 0.798 | S | S | * | * | trans | 69.9 | 141.7 | 164.6 | -41.9 | -70.3 | 0 | 0 | 0 | 116.9 | ||||
| 182 | D | 43.8 | Very low | 40.2 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | cis | 73.1 | 70.9 | 6.6 | -161.1 | 21 | 0 | 0 | 0 | 118.1 | ||||
| 183 | T | 37.2 | Very low | 41 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 85% | 0.847 | 79% | 0.794 | S | S | * | * | trans | -161.9 | 134.9 | 150.5 | 50.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 184 | G | 34.3 | Very low | 41.7 | Very low | 61 Ų | 61 | 144.6 Ų | 144.6 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | cis | -160.2 | 156.3 | -10 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 185 | L | 34.8 | Very low | 41.7 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 93% | 0.927 | 78% | 0.778 | S | S | * | * | 47.7 | 123.6 | 94.6 | -67.3 | 174.5 | 0 | 0 | 0 | 114.3 | |||||
| 186 | A | 33.7 | Very low | 42.5 | Very low | 73 Ų | 73 | 138.2 Ų | 138.2 | 60% | 0.603 | 76% | 0.755 | S | S | * | * | cis | -165.2 | 167.9 | 4.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 187 | D | 44.5 | Very low | 43.8 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 40.5 | 110.1 | 151.8 | -47.3 | -17.6 | 0 | 0 | 0 | 119.5 | ||||
| 188 | D | 42 | Very low | 45.4 | Very low | 168 Ų | 168 | 135 Ų | 135 | 90% | 0.898 | 73% | 0.731 | S | S | * | * | trans | 172.4 | 65.2 | 133.2 | -86.1 | -19.7 | 0 | 0 | 0 | 112.2 | ||||
| 189 | E | 44.9 | Very low | 46.1 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 71% | 0.712 | S | S | * | * | trans | -128 | -3 | 179.1 | -71 | -178.9 | 170.7 | 0 | 0 | 114.8 | E191 | E189-E191 VanDerWaalsContact C-N 3.32Å; E189-E191 PolarHBondContact O-N 3.39Å | ||
| 190 | E | 49.5 | Very low | 47.5 | Very low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -5.1 | -168.8 | -144.2 | 174.7 | -140.8 | 0 | 0 | 114.7 | ||
| 191 | E | 49.1 | Very low | 48.9 | Very low | 184 Ų | 184 | 127.5 Ų | 127.5 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.1 | -15.5 | 177.9 | -64.2 | -160.6 | 157.7 | 0 | 0 | 114.5 | E189 | E189-E191 VanDerWaalsContact C-N 3.32Å; E189-E191 PolarHBondContact O-N 3.39Å |
| 192 | E | 49.5 | Very low | 50.5 | Low | 146 Ų | 146 | 122.2 Ų | 122.2 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -29.7 | -177.1 | -62.1 | -160.6 | 152.6 | 0 | 0 | 113.8 | E194 S195 L196 | E192-E194 VanDerWaalsContact C-N 3.35Å; E192-E194 PolarHBondContact O-N 2.84Å; E192-S195 WeakPolarHBondContact O-CB 3.28Å; E192-S195 PolarHBondContact O-N 2.71Å; E192-S195 VanDerWaalsContact O-N 3.16Å; E192-L196 PolarHBondContact O-N 2.83Å |
| 193 | E | 49.5 | Very low | 51.9 | Low | 151 Ų | 151 | 118.3 Ų | 118.3 | 71% | 0.706 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.7 | -36.1 | -176 | -66.5 | -156.3 | 140.1 | 0 | 0 | 113.4 | S195 L196 D197 | E193-S195 VanDerWaalsContact C-N 3.3Å; E193-S195 PolarHBondContact O-N 2.94Å; E193-L196 PolarHBondContact O-N 2.82Å; E193-D197 PolarHBondContact O-N 2.83Å |
| 194 | E | 48.6 | Very low | 53.3 | Low | 168 Ų | 168 | 120.8 Ų | 120.8 | 79% | 0.785 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -67.9 | -29.4 | 178.4 | -66.4 | -155.9 | 148.7 | 0 | 0 | 112.4 | E192 A198 | E192-E194 VanDerWaalsContact C-N 3.35Å; E192-E194 PolarHBondContact O-N 2.84Å; E194-A198 PolarHBondContact O-N 3.14Å |
| 195 | S | 52.2 | Low | 54.5 | Low | 70 Ų | 70 | 123.5 Ų | 123.5 | 49% | 0.49 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68.2 | -45.7 | 177.1 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | E192 E193 D197 A198 I199 | E192-S195 WeakPolarHBondContact O-CB 3.28Å; E192-S195 PolarHBondContact O-N 2.71Å; E192-S195 VanDerWaalsContact O-N 3.16Å; E193-S195 VanDerWaalsContact C-N 3.3Å; E193-S195 PolarHBondContact O-N 2.94Å; S195-D197 VanDerWaalsContact C-N 3.3Å; S195-D197 PolarHBondContact O-N 2.84Å; S195-A198 WeakPolarHBondContact O-CB 3.44Å; S195-A198 PolarHBondContact O-N 3.5Å; S195-I199 WeakPolarHBondContact O-CG1 3.38Å; S195-I199 PolarHBondContact O-N 2.99Å |
| 196 | L | 48.2 | Very low | 55.6 | Low | 87 Ų | 87 | 119.2 Ų | 119.2 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.9 | -34.5 | 179.6 | -63.6 | 177.8 | 0 | 0 | 0 | 112.3 | E192 E193 I199 R200 | E192-L196 PolarHBondContact O-N 2.83Å; E193-L196 PolarHBondContact O-N 2.82Å; L196-I199 PolarHBondContact O-N 3.29Å; L196-R200 WeakPolarHBondContact O-CB 3.44Å; L196-R200 VanDerWaalsContact O-CG 3.31Å; L196-R200 WeakPolarHBondContact O-CG 3.49Å; L196-R200 PolarHBondContact O-N 3.26Å |
| 197 | D | 59.2 | Low | 56.6 | Low | 98 Ų | 98 | 121.3 Ų | 121.3 | 52% | 0.524 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.5 | -31.5 | 175.3 | -113.5 | 34.2 | 0 | 0 | 0 | 113.2 | E193 S195 I199 R200 A201 | E193-D197 PolarHBondContact O-N 2.83Å; S195-D197 VanDerWaalsContact C-N 3.3Å; S195-D197 PolarHBondContact O-N 2.84Å; D197-I199 VanDerWaalsContact C-N 3.35Å; D197-R200 PolarHBondContact O-N 3.26Å; D197-R200 IonicContact OD1-CZ 2.73Å; D197-R200 IonicContact OD1-NE 2.67Å; D197-R200 PolarHBondContact OD1-NE 3.21Å; D197-R200 IonicContact OD1-NH2 2.78Å; D197-R200 PolarHBondContact OD1-NH2 3.24Å; D197-A201 VanDerWaalsContact O-CB 3.31Å; D197-A201 WeakPolarHBondContact O-CB 3.41Å; D197-A201 PolarHBondContact O-N 2.92Å |
| 198 | A | 66.6 | Low | 56.8 | Low | 64 Ų | 64 | 120.7 Ų | 120.7 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.7 | -41.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E194 S195 A201 A202 | E194-A198 PolarHBondContact O-N 3.14Å; S195-A198 WeakPolarHBondContact O-CB 3.44Å; S195-A198 PolarHBondContact O-N 3.5Å; A198-A201 PolarHBondContact O-N 3.29Å; A198-A202 WeakPolarHBondContact O-CB 3.2Å; A198-A202 PolarHBondContact O-N 2.93Å |
| 199 | I | 62.7 | Low | 57 | Low | 94 Ų | 94 | 117 Ų | 117 | 48% | 0.482 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.4 | -47.9 | 175 | -66.2 | 164.5 | 0 | 0 | 0 | 110.7 | S195 L196 D197 A201 A202 V203 | S195-I199 WeakPolarHBondContact O-CG1 3.38Å; S195-I199 PolarHBondContact O-N 2.99Å; L196-I199 PolarHBondContact O-N 3.29Å; D197-I199 VanDerWaalsContact C-N 3.35Å; I199-A201 VanDerWaalsContact C-N 3.28Å; I199-A201 PolarHBondContact O-N 3.1Å; I199-A202 PolarHBondContact O-N 3.39Å; I199-A202 VanDerWaalsContact O-N 3.14Å; I199-V203 WeakPolarHBondContact O-CG2 3.43Å; I199-V203 PolarHBondContact O-N 3.25Å |
| 200 | R | 73.3 | Confident | 57 | Low | 124 Ų | 124 | 115.2 Ų | 115.2 | 47% | 0.468 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -60.1 | -35.2 | 176.3 | -73.3 | -176.5 | -73.7 | -112.1 | 5.7 | 112.4 | L196 D197 R204 | L196-R200 WeakPolarHBondContact O-CB 3.44Å; L196-R200 VanDerWaalsContact O-CG 3.31Å; L196-R200 WeakPolarHBondContact O-CG 3.49Å; L196-R200 PolarHBondContact O-N 3.26Å; D197-R200 PolarHBondContact O-N 3.26Å; D197-R200 IonicContact OD1-CZ 2.73Å; D197-R200 IonicContact OD1-NE 2.67Å; D197-R200 PolarHBondContact OD1-NE 3.21Å; D197-R200 IonicContact OD1-NH2 2.78Å; D197-R200 PolarHBondContact OD1-NH2 3.24Å; R200-R204 WeakPolarHBondContact O-CG 3.29Å; R200-R204 PolarHBondContact O-N 3.43Å |
| 201 | A | 69 | Low | 56.8 | Low | 54 Ų | 54 | 114.4 Ų | 114.4 | 45% | 0.446 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.1 | -41.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | D197 A198 I199 R204 M205 | D197-A201 VanDerWaalsContact O-CB 3.31Å; D197-A201 WeakPolarHBondContact O-CB 3.41Å; D197-A201 PolarHBondContact O-N 2.92Å; A198-A201 PolarHBondContact O-N 3.29Å; I199-A201 VanDerWaalsContact C-N 3.28Å; I199-A201 PolarHBondContact O-N 3.1Å; A201-R204 PolarHBondContact O-N 3.42Å; A201-M205 PolarHBondContact O-N 3.15Å; A201-M205 VanDerWaalsContact O-N 3.09Å |
| 202 | A | 68.2 | Low | 56.7 | Low | 59 Ų | 59 | 111.7 Ų | 111.7 | 49% | 0.488 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.9 | -44.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A198 I199 R204 M205 K206 | A198-A202 WeakPolarHBondContact O-CB 3.2Å; A198-A202 PolarHBondContact O-N 2.93Å; I199-A202 PolarHBondContact O-N 3.39Å; I199-A202 VanDerWaalsContact O-N 3.14Å; A202-R204 PolarHBondContact O-N 2.92Å; A202-M205 PolarHBondContact O-N 2.97Å; A202-K206 WeakPolarHBondContact O-CB 3.36Å; A202-K206 PolarHBondContact O-N 3.17Å |
| 203 | V | 72.7 | Confident | 56.3 | Low | 68 Ų | 68 | 112.4 Ų | 112.4 | 41% | 0.412 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.1 | -45.8 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | I199 M205 K206 M207 | I199-V203 WeakPolarHBondContact O-CG2 3.43Å; I199-V203 PolarHBondContact O-N 3.25Å; V203-M205 VanDerWaalsContact C-N 3.33Å; V203-M205 PolarHBondContact O-N 2.91Å; V203-K206 PolarHBondContact O-N 2.97Å; V203-K206 VanDerWaalsContact O-N 3.13Å; V203-M207 HydrophobicContact CG1-CE 3.66Å; V203-M207 HydrophobicContact CG1-SD 3.95Å; V203-M207 WeakPolarHBondContact O-CG 2.9Å; V203-M207 PolarHBondContact O-N 3.03Å |
| 204 | R | 67.6 | Low | 56 | Low | 190 Ų | 190 | 113.8 Ų | 113.8 | 72% | 0.717 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63.6 | -33.9 | 178.2 | -74.3 | 174 | 173.7 | 171.3 | -0.2 | 113.3 | R200 A201 A202 R208 | R200-R204 WeakPolarHBondContact O-CG 3.29Å; R200-R204 PolarHBondContact O-N 3.43Å; A201-R204 PolarHBondContact O-N 3.42Å; A202-R204 PolarHBondContact O-N 2.92Å; R204-R208 PolarHBondContact O-N 3.26Å |
| 205 | M | 58.5 | Low | 55.9 | Low | 119 Ų | 119 | 115.2 Ų | 115.2 | 59% | 0.586 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -73.7 | -35.5 | 172.5 | -69.6 | -68.1 | -117.1 | 0 | 0 | 112.3 | A201 A202 V203 R208 N209 | A201-M205 PolarHBondContact O-N 3.15Å; A201-M205 VanDerWaalsContact O-N 3.09Å; A202-M205 PolarHBondContact O-N 2.97Å; V203-M205 VanDerWaalsContact C-N 3.33Å; V203-M205 PolarHBondContact O-N 2.91Å; M205-R208 PolarHBondContact O-N 3.39Å; M205-N209 PolarHBondContact O-N 2.87Å; M205-N209 PolarHBondContact O-OD1 2.73Å |
| 206 | K | 59.1 | Low | 55.6 | Low | 87 Ų | 87 | 120.6 Ų | 120.6 | 38% | 0.378 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67 | -43.1 | 178.6 | -146 | 170.8 | -172.3 | 178.1 | 0 | 111.8 | A202 V203 N209 Q210 | A202-K206 WeakPolarHBondContact O-CB 3.36Å; A202-K206 PolarHBondContact O-N 3.17Å; V203-K206 PolarHBondContact O-N 2.97Å; V203-K206 VanDerWaalsContact O-N 3.13Å; K206-N209 PolarHBondContact O-N 2.99Å; K206-Q210 PolarHBondContact O-N 2.66Å |
| 207 | M | 53.3 | Low | 55.3 | Low | 116 Ų | 116 | 124 Ų | 124 | 57% | 0.571 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -60.2 | -44.9 | 172.5 | -70.6 | 169.6 | 169.8 | 0 | 0 | 111.9 | V203 N209 Q210 E211 | V203-M207 HydrophobicContact CG1-CE 3.66Å; V203-M207 HydrophobicContact CG1-SD 3.95Å; V203-M207 WeakPolarHBondContact O-CG 2.9Å; V203-M207 PolarHBondContact O-N 3.03Å; M207-N209 VanDerWaalsContact C-N 3.34Å; M207-N209 PolarHBondContact O-N 3.36Å; M207-Q210 PolarHBondContact O-N 2.64Å; M207-E211 PolarHBondContact O-N 2.85Å |
| 208 | R | 49.4 | Very low | 54.4 | Low | 131 Ų | 131 | 129 Ų | 129 | 49% | 0.494 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -65.6 | -34.2 | 178.1 | -179.6 | 172.1 | 168.9 | -130.4 | -19.9 | 113.2 | R204 M205 Q210 E211 E212 | R204-R208 PolarHBondContact O-N 3.26Å; M205-R208 PolarHBondContact O-N 3.39Å; R208-Q210 VanDerWaalsContact C-N 3.33Å; R208-E211 PolarHBondContact O-N 2.83Å; R208-E212 IonicContact CZ-OE1 2.82Å; R208-E212 IonicContact NE-OE1 2.8Å; R208-E212 PolarHBondContact NE-OE1 3.01Å; R208-E212 IonicContact NH2-OE1 3.62Å; R208-E212 PolarHBondContact NH2-OE1 3.04Å; R208-E212 IonicContact NH2-OE2 2.89Å; R208-E212 PolarHBondContact NH2-OE2 3.45Å; R208-E212 PolarHBondContact O-N 3.44Å |
| 209 | N | 45.3 | Very low | 53.6 | Low | 90 Ų | 90 | 135.4 Ų | 135.4 | 48% | 0.481 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -70.1 | -28.8 | 175.6 | -86.6 | 45.8 | 0 | 0 | 0 | 112.6 | M205 K206 M207 E212 E213 | M205-N209 PolarHBondContact O-N 2.87Å; M205-N209 PolarHBondContact O-OD1 2.73Å; K206-N209 PolarHBondContact O-N 2.99Å; M207-N209 VanDerWaalsContact C-N 3.34Å; M207-N209 PolarHBondContact O-N 3.36Å; N209-E212 PolarHBondContact O-N 3.15Å; N209-E213 PolarHBondContact O-N 2.82Å |
| 210 | Q | 45.5 | Very low | 52.2 | Low | 130 Ų | 130 | 135 Ų | 135 | 61% | 0.607 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70.2 | -34.1 | 172.5 | -70.1 | -178.1 | -63.1 | 0 | 0 | 112.1 | K206 M207 R208 E212 | K206-Q210 PolarHBondContact O-N 2.66Å; M207-Q210 PolarHBondContact O-N 2.64Å; R208-Q210 VanDerWaalsContact C-N 3.33Å; Q210-E212 PolarHBondContact O-N 3.5Å |
| 211 | E | 45.4 | Very low | 50.7 | Low | 172 Ų | 172 | 135.2 Ų | 135.2 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -7.6 | 172.9 | -69.1 | -170.6 | 140.1 | 0 | 0 | 114.6 | M207 R208 | M207-E211 PolarHBondContact O-N 2.85Å; R208-E211 PolarHBondContact O-N 2.83Å |
| 212 | E | 46.9 | Very low | 49.2 | Very low | 127 Ų | 127 | 140.5 Ų | 140.5 | 59% | 0.593 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 1 | -179.8 | -73.6 | 179.4 | -158.1 | 0 | 0 | 113.9 | R208 N209 Q210 | R208-E212 IonicContact CZ-OE1 2.82Å; R208-E212 IonicContact NE-OE1 2.8Å; R208-E212 PolarHBondContact NE-OE1 3.01Å; R208-E212 IonicContact NH2-OE1 3.62Å; R208-E212 PolarHBondContact NH2-OE1 3.04Å; R208-E212 IonicContact NH2-OE2 2.89Å; R208-E212 PolarHBondContact NH2-OE2 3.45Å; R208-E212 PolarHBondContact O-N 3.44Å; N209-E212 PolarHBondContact O-N 3.15Å; Q210-E212 PolarHBondContact O-N 3.5Å |
| 213 | E | 41.8 | Very low | 47.9 | Very low | 161 Ų | 161 | 146.8 Ų | 146.8 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | -3.3 | 176.6 | -74 | -173.6 | 159.3 | 0 | 0 | 115.2 | N209 | N209-E213 PolarHBondContact O-N 2.82Š|
| 214 | E | 42.9 | Very low | 46.4 | Very low | 181 Ų | 181 | 149.4 Ų | 149.4 | 85% | 0.846 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -90.7 | 4.4 | 179.2 | -71.6 | -169.5 | 165.5 | 0 | 0 | 115.8 | ||
| 215 | E | 46.4 | Very low | 45.5 | Very low | 197 Ų | 197 | 150.7 Ų | 150.7 | 92% | 0.921 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -107.4 | 3.9 | -177.2 | -145.6 | -179.8 | -159.8 | 0 | 0 | 115.2 | ||
| 216 | E | 45.1 | Very low | 45.1 | Very low | 184 Ų | 184 | 156.7 Ų | 156.7 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -143.1 | 38.5 | -175.1 | -152.1 | 174.1 | -161.1 | 0 | 0 | 116.8 | ||
| 217 | D | 41.9 | Very low | 44.9 | Very low | 159 Ų | 159 | 156.8 Ų | 156.8 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | -156.8 | 59.6 | 162.8 | -131.1 | -13.4 | 0 | 0 | 0 | 116.9 | ||||
| 218 | E | 41.8 | Very low | 45.2 | Very low | 201 Ų | 201 | 155.1 Ų | 155.1 | 94% | 0.939 | 76% | 0.756 | S | S | * | * | trans | -128.5 | 58.7 | 161.4 | -84.4 | -147.5 | 148.3 | 0 | 0 | 112.5 | ||||
| 219 | E | 48.6 | Very low | 46.3 | Very low | 199 Ų | 199 | 157.5 Ų | 157.5 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -111.9 | 62 | 161.3 | -161 | 176.8 | 174.2 | 0 | 0 | 111.5 | ||||
| 220 | A | 34.3 | Very low | 47.4 | Very low | 86 Ų | 86 | 164.2 Ų | 164.2 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -118.2 | 133.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E222 | A220-E222 PolarHBondContact O-N 2.83Š| ||
| 221 | P | 41.5 | Very low | 48.5 | Very low | 129 Ų | 129 | 161.4 Ų | 161.4 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -76.8 | 110.8 | -170.2 | 28.6 | -34.4 | 0 | 0 | 0 | 112.9 | K223 | P221-K223 PolarHBondContact O-N 2.84Š| ||
| 222 | E | 37.6 | Very low | 49.8 | Very low | 165 Ų | 165 | 155.5 Ų | 155.5 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | trans | -55.7 | 130.4 | 167.8 | -95.2 | -143.3 | 121.7 | 0 | 0 | 110.9 | A220 | A220-E222 PolarHBondContact O-N 2.83Š| ||
| 223 | K | 40.7 | Very low | 51.3 | Low | 190 Ų | 190 | 156.4 Ų | 156.4 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | -61.8 | 144.3 | -177.3 | -62.6 | 167.9 | -174.8 | 174.2 | 0 | 110.4 | P221 R225 | P221-K223 PolarHBondContact O-N 2.84Å; K223-R225 PolarHBondContact O-N 3.47Å | ||
| 224 | P | 40.3 | Very low | 53.2 | Low | 124 Ų | 124 | 151.5 Ų | 151.5 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | trans | -59.3 | 115.3 | -176.1 | 23.9 | -34.1 | 0 | 0 | 0 | 110.8 | R226 | P224-R226 PolarHBondContact O-N 3.41Š| ||
| 225 | R | 48.5 | Very low | 55.3 | Low | 217 Ų | 217 | 146.4 Ų | 146.4 | 82% | 0.819 | 73% | 0.733 | S | S | * | * | trans | -55.5 | 108 | 177 | -74.4 | -173.2 | 175 | -161.2 | -4 | 109.4 | K223 A227 | K223-R225 PolarHBondContact O-N 3.47Å; R225-A227 PolarHBondContact O-N 3.35Å | ||
| 226 | R | 51 | Low | 57.1 | Low | 244 Ų | 244 | 146.1 Ų | 146.1 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | trans | -41.8 | 125.2 | -179.7 | -95.3 | 180 | 165 | 165.1 | -4.9 | 109.9 | P224 E228 | P224-R226 PolarHBondContact O-N 3.41Å; R226-E228 PolarHBondContact O-N 2.9Å | ||
| 227 | A | 53.9 | Low | 59.2 | Low | 90 Ų | 90 | 142.8 Ų | 142.8 | 74% | 0.744 | 71% | 0.708 | S | S | * | * | trans | -57.8 | 114.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | R225 R229 | R225-A227 PolarHBondContact O-N 3.35Å; A227-R229 PolarHBondContact O-N 3Å | ||
| 228 | E | 59.6 | Low | 61.6 | Low | 80 Ų | 80 | 137.3 Ų | 137.3 | 37% | 0.374 | 69% | 0.685 | S | S | . | * | trans | -45.9 | 105.4 | 179.9 | -177.3 | -168.9 | 178.2 | 0 | 0 | 109.9 | R226 R230 A232 R233 | R226-E228 PolarHBondContact O-N 2.9Å; E228-R230 PolarHBondContact O-N 2.65Å; E228-A232 HydrophobicContact CG-CB 4.14Å; E228-R233 VanDerWaalsContact CD-CG 3.44Å; E228-R233 HydrophobicContact CG-CG 3.96Å; E228-R233 WeakPolarHBondContact OE1-CG 3.27Å; E228-R233 IonicContact OE2-CZ 3.29Å; E228-R233 VanDerWaalsContact OE2-CZ 3.24Å; E228-R233 IonicContact OE2-NE 2.98Å; E228-R233 PolarHBondContact OE2-NE 3.49Å; E228-R233 IonicContact OE2-NH2 2.77Å; E228-R233 PolarHBondContact OE2-NH2 2.87Å | ||
| 229 | R | 74 | Confident | 64 | Low | 181 Ų | 181 | 132.8 Ų | 132.8 | 68% | 0.683 | 67% | 0.665 | S | S | * | * | trans | -47.5 | 134.9 | -170.2 | -83.8 | 176.8 | 155 | 164.5 | -10.9 | 109.5 | A227 A231 A232 D529 | A227-R229 PolarHBondContact O-N 3Å; R229-A231 PolarHBondContact O-N 3.04Å; R229-A232 WeakPolarHBondContact O-CB 3.4Å; R229-A232 PolarHBondContact O-N 3.11Å; R229-D529 IonicContact NH2-OD2 3.16Å; R229-D529 PolarHBondContact NH2-OD2 2.89Å | ||
| 230 | R | 68.5 | Low | 66.2 | Low | 232 Ų | 232 | 130.7 Ų | 130.7 | 88% | 0.875 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -52.5 | -29.9 | -173.1 | -67 | 179.6 | -178.7 | 162.9 | 3.1 | 112.8 | E228 R233 A234 | E228-R230 PolarHBondContact O-N 2.65Å; R230-R233 PolarHBondContact O-N 3.08Å; R230-A234 WeakPolarHBondContact O-CB 3.23Å; R230-A234 PolarHBondContact O-N 3.06Å |
| 231 | A | 68.8 | Low | 69 | Low | 71 Ų | 71 | 131.6 Ų | 131.6 | 59% | 0.587 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.8 | -41.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | R229 A234 S235 | R229-A231 PolarHBondContact O-N 3.04Å; A231-A234 PolarHBondContact O-N 3.26Å; A231-S235 WeakPolarHBondContact O-CB 3.32Å; A231-S235 PolarHBondContact O-N 2.91Å |
| 232 | A | 72.3 | Confident | 71.6 | Confident | 47 Ų | 47 | 130.5 Ų | 130.5 | 39% | 0.388 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -66.5 | -42.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | E228 R229 S235 R236 | E228-A232 HydrophobicContact CG-CB 4.14Å; R229-A232 WeakPolarHBondContact O-CB 3.4Å; R229-A232 PolarHBondContact O-N 3.11Å; A232-S235 PolarHBondContact O-N 3.22Å; A232-R236 WeakPolarHBondContact O-CB 3.46Å; A232-R236 PolarHBondContact O-N 3.25Å |
| 233 | R | 78.6 | Confident | 74.2 | Confident | 146 Ų | 146 | 128.8 Ų | 128.8 | 55% | 0.551 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -62.3 | -45.1 | 173.1 | -68.9 | -176 | 169.6 | 160.4 | 7.7 | 112 | E228 R230 S235 R236 E237 | E228-R233 VanDerWaalsContact CD-CG 3.44Å; E228-R233 HydrophobicContact CG-CG 3.96Å; E228-R233 WeakPolarHBondContact OE1-CG 3.27Å; E228-R233 IonicContact OE2-CZ 3.29Å; E228-R233 VanDerWaalsContact OE2-CZ 3.24Å; E228-R233 IonicContact OE2-NE 2.98Å; E228-R233 PolarHBondContact OE2-NE 3.49Å; E228-R233 IonicContact OE2-NH2 2.77Å; E228-R233 PolarHBondContact OE2-NH2 2.87Å; R230-R233 PolarHBondContact O-N 3.08Å; R233-S235 VanDerWaalsContact C-N 3.35Å; R233-S235 PolarHBondContact O-N 3.46Å; R233-R236 PolarHBondContact O-N 3.41Å; R233-E237 PolarHBondContact O-N 2.96Å |
| 234 | A | 80.2 | Confident | 76.8 | Confident | 59 Ų | 59 | 123.1 Ų | 123.1 | 49% | 0.488 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.4 | -38.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | R230 A231 E237 A238 | R230-A234 WeakPolarHBondContact O-CB 3.23Å; R230-A234 PolarHBondContact O-N 3.06Å; A231-A234 PolarHBondContact O-N 3.26Å; A234-E237 PolarHBondContact O-N 3.01Å; A234-A238 WeakPolarHBondContact O-CB 3.43Å; A234-A238 PolarHBondContact O-N 3.4Å |
| 235 | S | 87.2 | Confident | 79.4 | Confident | 73 Ų | 73 | 122.9 Ų | 122.9 | 51% | 0.51 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.2 | -47.1 | 174 | 179.5 | 0 | 0 | 0 | 0 | 111.8 | A231 A232 R233 E237 A238 M239 | A231-S235 WeakPolarHBondContact O-CB 3.32Å; A231-S235 PolarHBondContact O-N 2.91Å; A232-S235 PolarHBondContact O-N 3.22Å; R233-S235 VanDerWaalsContact C-N 3.35Å; R233-S235 PolarHBondContact O-N 3.46Å; S235-E237 VanDerWaalsContact C-N 3.28Å; S235-E237 PolarHBondContact O-N 3.39Å; S235-A238 PolarHBondContact O-N 3.47Å; S235-A238 VanDerWaalsContact O-N 3.17Å; S235-M239 WeakPolarHBondContact O-CB 3.38Å; S235-M239 WeakPolarHBondContact O-CG 3.47Å; S235-M239 PolarHBondContact O-N 3.24Å |
| 236 | R | 85.8 | Confident | 81.6 | Confident | 192 Ų | 192 | 116 Ų | 116 | 73% | 0.725 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.9 | -34.2 | 176 | -166.1 | 174.3 | -172.9 | 170.4 | 3.9 | 112.3 | A232 R233 K240 | A232-R236 WeakPolarHBondContact O-CB 3.46Å; A232-R236 PolarHBondContact O-N 3.25Å; R233-R236 PolarHBondContact O-N 3.41Å; R236-K240 WeakPolarHBondContact O-CB 3.39Å; R236-K240 PolarHBondContact O-N 2.92Å |
| 237 | E | 88.7 | Confident | 83.5 | Confident | 113 Ų | 113 | 109.7 Ų | 109.7 | 53% | 0.528 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.8 | -43.5 | 171.7 | -161.8 | -176.7 | 151.5 | 0 | 0 | 112.1 | R233 A234 S235 M239 K240 Q241 | R233-E237 PolarHBondContact O-N 2.96Å; A234-E237 PolarHBondContact O-N 3.01Å; S235-E237 VanDerWaalsContact C-N 3.28Å; S235-E237 PolarHBondContact O-N 3.39Å; E237-M239 PolarHBondContact O-N 3.46Å; E237-K240 CarbonylContact O-C 3.57Å; E237-K240 WeakPolarHBondContact O-CA 3.47Å; E237-K240 WeakPolarHBondContact O-CB 3.3Å; E237-K240 PolarHBondContact O-N 3.08Å; E237-Q241 HydrophobicContact CG-CG 4.42Å; E237-Q241 WeakPolarHBondContact O-CG 3.36Å; E237-Q241 PolarHBondContact O-N 2.76Å; E237-Q241 PolarHBondContact OE1-NE2 3.25Å |
| 238 | A | 92.2 | Very high | 85.4 | Confident | 44 Ų | 44 | 111.8 Ų | 111.8 | 36% | 0.364 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A234 S235 K240 Q241 L242 | A234-A238 WeakPolarHBondContact O-CB 3.43Å; A234-A238 PolarHBondContact O-N 3.4Å; S235-A238 PolarHBondContact O-N 3.47Å; S235-A238 VanDerWaalsContact O-N 3.17Å; A238-K240 VanDerWaalsContact C-N 3.31Å; A238-K240 PolarHBondContact O-N 2.93Å; A238-Q241 PolarHBondContact O-N 2.66Å; A238-L242 WeakPolarHBondContact O-CB 3.25Å; A238-L242 WeakPolarHBondContact O-CG 3.47Å; A238-L242 PolarHBondContact O-N 2.96Å |
| 239 | M | 91.3 | Very high | 86.9 | Confident | 107 Ų | 107 | 113.5 Ų | 113.5 | 53% | 0.527 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56.2 | -44.1 | 171.1 | -73.6 | -85.3 | -88.6 | 0 | 0 | 111.8 | S235 E237 L242 H243 | S235-M239 WeakPolarHBondContact O-CB 3.38Å; S235-M239 WeakPolarHBondContact O-CG 3.47Å; S235-M239 PolarHBondContact O-N 3.24Å; E237-M239 PolarHBondContact O-N 3.46Å; M239-L242 PolarHBondContact O-N 3.41Å; M239-H243 VanDerWaalsContact O-CG 3.26Å; M239-H243 PolarHBondContact O-N 2.65Å; M239-H243 PolarHBondContact O-ND1 3.02Å |
| 240 | K | 95.1 | Very high | 87.5 | Confident | 154 Ų | 154 | 109.5 Ų | 109.5 | 67% | 0.67 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -67.4 | -37.3 | 176.5 | -173.8 | -180 | 179.7 | -178.4 | 0 | 112.4 | R236 E237 A238 S244 | R236-K240 WeakPolarHBondContact O-CB 3.39Å; R236-K240 PolarHBondContact O-N 2.92Å; E237-K240 CarbonylContact O-C 3.57Å; E237-K240 WeakPolarHBondContact O-CA 3.47Å; E237-K240 WeakPolarHBondContact O-CB 3.3Å; E237-K240 PolarHBondContact O-N 3.08Å; A238-K240 VanDerWaalsContact C-N 3.31Å; A238-K240 PolarHBondContact O-N 2.93Å; K240-S244 WeakPolarHBondContact O-CB 3.41Å; K240-S244 PolarHBondContact O-N 3.42Å |
| 241 | Q | 94.2 | Very high | 88.4 | Confident | 105 Ų | 105 | 105.8 Ų | 105.8 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.1 | -48.7 | 174.6 | -71.3 | 179.8 | 17.2 | 0 | 0 | 110.3 | E237 A238 H243 S244 E245 | E237-Q241 HydrophobicContact CG-CG 4.42Å; E237-Q241 WeakPolarHBondContact O-CG 3.36Å; E237-Q241 PolarHBondContact O-N 2.76Å; E237-Q241 PolarHBondContact OE1-NE2 3.25Å; A238-Q241 PolarHBondContact O-N 2.66Å; Q241-H243 PolarHBondContact O-N 3.22Å; Q241-S244 CarbonylContact O-C 3.43Å; Q241-S244 WeakPolarHBondContact O-CA 3.31Å; Q241-S244 PolarHBondContact O-N 2.97Å; Q241-S244 PolarHBondContact O-OG 3.39Å; Q241-E245 WeakPolarHBondContact O-CB 3.48Å; Q241-E245 PolarHBondContact O-N 3.29Å |
| 242 | L | 95.3 | Very high | 89.3 | Confident | 106 Ų | 106 | 107.5 Ų | 107.5 | 56% | 0.555 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -56.3 | -45 | 174.8 | -73 | 171.2 | 0 | 0 | 0 | 112.6 | A238 M239 S244 E245 S246 | A238-L242 WeakPolarHBondContact O-CB 3.25Å; A238-L242 WeakPolarHBondContact O-CG 3.47Å; A238-L242 PolarHBondContact O-N 2.96Å; M239-L242 PolarHBondContact O-N 3.41Å; L242-S244 PolarHBondContact O-N 2.82Å; L242-E245 PolarHBondContact O-N 2.9Å; L242-S246 VanDerWaalsContact O-CB 3.23Å; L242-S246 WeakPolarHBondContact O-CB 3.44Å; L242-S246 PolarHBondContact O-N 2.8Å |
| 243 | H | 92.6 | Very high | 89.8 | Confident | 129 Ų | 129 | 108.9 Ų | 108.9 | 60% | 0.597 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -39.9 | 174.3 | -66.4 | 151.4 | 0 | 0 | 0 | 112.4 | M239 Q241 Q247 | M239-H243 VanDerWaalsContact O-CG 3.26Å; M239-H243 PolarHBondContact O-N 2.65Å; M239-H243 PolarHBondContact O-ND1 3.02Å; Q241-H243 PolarHBondContact O-N 3.22Å; H243-Q247 WeakPolarHBondContact O-CB 3.19Å; H243-Q247 PolarHBondContact O-N 3.21Å |
| 244 | S | 94.7 | Very high | 89.8 | Confident | 71 Ų | 71 | 106.1 Ų | 106.1 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.2 | -35.8 | 177.1 | 79.1 | 0 | 0 | 0 | 0 | 112.9 | K240 Q241 L242 R248 | K240-S244 WeakPolarHBondContact O-CB 3.41Å; K240-S244 PolarHBondContact O-N 3.42Å; Q241-S244 CarbonylContact O-C 3.43Å; Q241-S244 WeakPolarHBondContact O-CA 3.31Å; Q241-S244 PolarHBondContact O-N 2.97Å; Q241-S244 PolarHBondContact O-OG 3.39Å; L242-S244 PolarHBondContact O-N 2.82Å; S244-R248 VanDerWaalsContact O-CB 3.3Å; S244-R248 WeakPolarHBondContact O-CB 3.23Å; S244-R248 PolarHBondContact O-N 3.04Å |
| 245 | E | 95.2 | Very high | 89.4 | Confident | 120 Ų | 120 | 110.5 Ų | 110.5 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -75.6 | -43.7 | 179.1 | -177.5 | 166.1 | -145.2 | 0 | 0 | 111.3 | Q241 L242 Q247 R248 L249 | Q241-E245 WeakPolarHBondContact O-CB 3.48Å; Q241-E245 PolarHBondContact O-N 3.29Å; L242-E245 PolarHBondContact O-N 2.9Å; E245-Q247 VanDerWaalsContact C-N 3.34Å; E245-Q247 PolarHBondContact O-N 3.3Å; E245-R248 CarbonylContact O-C 3.58Å; E245-R248 WeakPolarHBondContact O-CA 3.49Å; E245-R248 WeakPolarHBondContact O-CB 3.48Å; E245-R248 PolarHBondContact O-N 3.02Å; E245-R248 VanDerWaalsContact O-N 3.08Å; E245-L249 WeakPolarHBondContact O-CB 3.39Å; E245-L249 PolarHBondContact O-N 3.28Å |
| 246 | S | 95.5 | Very high | 88.9 | Confident | 73 Ų | 73 | 110.5 Ų | 110.5 | 51% | 0.51 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -55.8 | -48.5 | 170.6 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | L242 R248 L249 V250 | L242-S246 VanDerWaalsContact O-CB 3.23Å; L242-S246 WeakPolarHBondContact O-CB 3.44Å; L242-S246 PolarHBondContact O-N 2.8Å; S246-R248 VanDerWaalsContact C-N 3.27Å; S246-R248 PolarHBondContact O-N 3.05Å; S246-L249 WeakPolarHBondContact O-CB 3.24Å; S246-L249 PolarHBondContact O-N 3.48Å; S246-V250 WeakPolarHBondContact O-CG2 3.35Å; S246-V250 PolarHBondContact O-N 2.87Å |
| 247 | Q | 90.3 | Very high | 88.6 | Confident | 111 Ų | 111 | 108.7 Ų | 108.7 | 52% | 0.519 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -72.9 | -17.9 | 178 | -151.4 | -171.6 | 72.7 | 0 | 0 | 113.2 | H243 E245 R251 | H243-Q247 WeakPolarHBondContact O-CB 3.19Å; H243-Q247 PolarHBondContact O-N 3.21Å; E245-Q247 VanDerWaalsContact C-N 3.34Å; E245-Q247 PolarHBondContact O-N 3.3Å; Q247-R251 VanDerWaalsContact C-NH1 3.33Å; Q247-R251 WeakPolarHBondContact O-CD 3.42Å; Q247-R251 VanDerWaalsContact O-CG 3.31Å; Q247-R251 WeakPolarHBondContact O-CG 3.43Å; Q247-R251 PolarHBondContact O-NH1 2.88Å; Q247-R251 VanDerWaalsContact OE1-CZ 3.29Å |
| 248 | R | 92.7 | Very high | 88.3 | Confident | 133 Ų | 133 | 109.4 Ų | 109.4 | 50% | 0.502 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -75.3 | -46.1 | 166.9 | 176.4 | -178.6 | 168.3 | -123.4 | -24 | 110.3 | S244 E245 S246 V250 R251 E252 | S244-R248 VanDerWaalsContact O-CB 3.3Å; S244-R248 WeakPolarHBondContact O-CB 3.23Å; S244-R248 PolarHBondContact O-N 3.04Å; E245-R248 CarbonylContact O-C 3.58Å; E245-R248 WeakPolarHBondContact O-CA 3.49Å; E245-R248 WeakPolarHBondContact O-CB 3.48Å; E245-R248 PolarHBondContact O-N 3.02Å; E245-R248 VanDerWaalsContact O-N 3.08Å; S246-R248 VanDerWaalsContact C-N 3.27Å; S246-R248 PolarHBondContact O-N 3.05Å; R248-V250 VanDerWaalsContact C-N 3.29Å; R248-V250 PolarHBondContact O-N 3.49Å; R248-R251 CarbonylContact O-C 3.58Å; R248-R251 WeakPolarHBondContact O-CA 3.46Å; R248-R251 WeakPolarHBondContact O-CB 3.31Å; R248-R251 PolarHBondContact O-N 2.83Å; R248-E252 HydrophobicContact CG-CG 4.39Å; R248-E252 WeakPolarHBondContact CG-OE1 3.3Å; R248-E252 IonicContact CZ-OE1 2.71Å; R248-E252 VanDerWaalsContact CZ-OE1 3.29Å; R248-E252 IonicContact CZ-OE2 2.83Å; R248-E252 IonicContact NE-OE1 2.89Å; R248-E252 PolarHBondContact NE-OE1 3.14Å; R248-E252 IonicContact NE-OE2 3.24Å; R248-E252 PolarHBondContact NE-OE2 2.84Å; R248-E252 VanDerWaalsContact NH2-CD 3.29Å; R248-E252 IonicContact NH2-OE1 3.48Å; R248-E252 PolarHBondContact NH2-OE1 3.29Å; R248-E252 IonicContact NH2-OE2 3.36Å; R248-E252 PolarHBondContact NH2-OE2 3.05Å; R248-E252 PolarHBondContact O-N 3.05Å |
| 249 | L | 91.4 | Very high | 87.7 | Confident | 116 Ų | 116 | 117.8 Ų | 117.8 | 61% | 0.607 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -59.4 | -39.4 | 177.7 | -166.1 | 72.9 | 0 | 0 | 0 | 111.2 | E245 S246 R251 E252 S253 | E245-L249 WeakPolarHBondContact O-CB 3.39Å; E245-L249 PolarHBondContact O-N 3.28Å; S246-L249 WeakPolarHBondContact O-CB 3.24Å; S246-L249 PolarHBondContact O-N 3.48Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 2.89Å; L249-E252 CarbonylContact O-C 3.55Å; L249-E252 PolarHBondContact O-N 3.35Å; L249-S253 WeakPolarHBondContact O-CB 3.13Å; L249-S253 PolarHBondContact O-N 2.79Å; L249-S253 PolarHBondContact O-OG 2.87Å |
| 250 | V | 88.1 | Confident | 87.4 | Confident | 97 Ų | 97 | 120 Ų | 120 | 59% | 0.588 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.7 | -29.7 | 173 | 170.7 | 0 | 0 | 0 | 0 | 113.1 | S246 R248 S253 | S246-V250 WeakPolarHBondContact O-CG2 3.35Å; S246-V250 PolarHBondContact O-N 2.87Å; R248-V250 VanDerWaalsContact C-N 3.29Å; R248-V250 PolarHBondContact O-N 3.49Å; V250-S253 PolarHBondContact O-OG 3.29Å |
| 251 | R | 86.3 | Confident | 86.9 | Confident | 155 Ų | 155 | 119.9 Ų | 119.9 | 59% | 0.585 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -81.4 | -23.6 | 174.1 | -67.1 | 169.3 | 179.7 | 109.5 | -5.1 | 113 | Q247 R248 L249 S254 | Q247-R251 VanDerWaalsContact C-NH1 3.33Å; Q247-R251 WeakPolarHBondContact O-CD 3.42Å; Q247-R251 VanDerWaalsContact O-CG 3.31Å; Q247-R251 WeakPolarHBondContact O-CG 3.43Å; Q247-R251 PolarHBondContact O-NH1 2.88Å; Q247-R251 VanDerWaalsContact OE1-CZ 3.29Å; R248-R251 CarbonylContact O-C 3.58Å; R248-R251 WeakPolarHBondContact O-CA 3.46Å; R248-R251 WeakPolarHBondContact O-CB 3.31Å; R248-R251 PolarHBondContact O-N 2.83Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 2.89Å; R251-S254 PolarHBondContact O-OG 3.42Å |
| 252 | E | 87.6 | Confident | 86.4 | Confident | 106 Ų | 106 | 118.6 Ų | 118.6 | 50% | 0.495 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -98.6 | -20.2 | -177.7 | -68.8 | -179.7 | -176 | 0 | 0 | 112.9 | R248 L249 S254 | R248-E252 HydrophobicContact CG-CG 4.39Å; R248-E252 WeakPolarHBondContact CG-OE1 3.3Å; R248-E252 IonicContact CZ-OE1 2.71Å; R248-E252 VanDerWaalsContact CZ-OE1 3.29Å; R248-E252 IonicContact CZ-OE2 2.83Å; R248-E252 IonicContact NE-OE1 2.89Å; R248-E252 PolarHBondContact NE-OE1 3.14Å; R248-E252 IonicContact NE-OE2 3.24Å; R248-E252 PolarHBondContact NE-OE2 2.84Å; R248-E252 VanDerWaalsContact NH2-CD 3.29Å; R248-E252 IonicContact NH2-OE1 3.48Å; R248-E252 PolarHBondContact NH2-OE1 3.29Å; R248-E252 IonicContact NH2-OE2 3.36Å; R248-E252 PolarHBondContact NH2-OE2 3.05Å; R248-E252 PolarHBondContact O-N 3.05Å; L249-E252 CarbonylContact O-C 3.55Å; L249-E252 PolarHBondContact O-N 3.35Å; E252-S254 VanDerWaalsContact C-N 3.32Å; E252-S254 PolarHBondContact O-N 2.98Å |
| 253 | S | 82.8 | Confident | 85.9 | Confident | 77 Ų | 77 | 121.8 Ų | 121.8 | 54% | 0.538 | 64% | 0.641 | S | S | . | * | S | Bend | trans | -76.1 | -16.1 | 178 | 66.7 | 0 | 0 | 0 | 0 | 113.8 | L249 V250 L255 | L249-S253 WeakPolarHBondContact O-CB 3.13Å; L249-S253 PolarHBondContact O-N 2.79Å; L249-S253 PolarHBondContact O-OG 2.87Å; V250-S253 PolarHBondContact O-OG 3.29Å; S253-L255 PolarHBondContact O-N 2.87Å |
| 254 | S | 78 | Confident | 85.6 | Confident | 87 Ų | 87 | 121.7 Ų | 121.7 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | trans | -71 | 79.7 | 172.3 | 62.4 | 0 | 0 | 0 | 0 | 110.6 | R251 E252 G256 | R251-S254 PolarHBondContact O-OG 3.42Å; E252-S254 VanDerWaalsContact C-N 3.32Å; E252-S254 PolarHBondContact O-N 2.98Å; S254-G256 VanDerWaalsContact C-N 3.29Å; S254-G256 PolarHBondContact O-N 3.18Å | ||
| 255 | L | 72.9 | Confident | 85.1 | Confident | 151 Ų | 151 | 125.8 Ų | 125.8 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | trans | -64.9 | 86.9 | 174 | -66.7 | 179.3 | 0 | 0 | 0 | 110.1 | S253 L257 | S253-L255 PolarHBondContact O-N 2.87Å; L255-L257 PolarHBondContact O-N 3.3Å | ||
| 256 | G | 77.1 | Confident | 84.7 | Confident | 73 Ų | 73 | 124 Ų | 124 | 75% | 0.753 | 66% | 0.658 | S | S | * | * | trans | -61.9 | 94.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S254 | S254-G256 VanDerWaalsContact C-N 3.29Å; S254-G256 PolarHBondContact O-N 3.18Å | ||
| 257 | L | 78.7 | Confident | 84 | Confident | 155 Ų | 155 | 126.6 Ų | 126.6 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 128.9 | 174.5 | -67.8 | 177.6 | 0 | 0 | 0 | 109.5 | L255 Y259 | L255-L257 PolarHBondContact O-N 3.3Å; L257-Y259 PolarHBondContact O-N 3.4Å |
| 258 | P | 82.3 | Confident | 83.3 | Confident | 127 Ų | 127 | 128 Ų | 128 | 83% | 0.825 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 117.7 | 177.8 | -27.1 | 35.3 | 0 | 0 | 0 | 110.9 | H260 | P258-H260 PolarHBondContact O-N 3.48Š|
| 259 | Y | 79.1 | Confident | 82.8 | Confident | 220 Ų | 220 | 126.2 Ų | 126.2 | 86% | 0.863 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 128 | -178.5 | -142.3 | -87.5 | 0 | 0 | 0 | 109.3 | L257 I261 | L257-Y259 PolarHBondContact O-N 3.4Å; Y259-I261 PolarHBondContact O-N 3.05Å |
| 260 | H | 84.5 | Confident | 82.1 | Confident | 154 Ų | 154 | 128.9 Ų | 128.9 | 71% | 0.713 | 68% | 0.676 | S | S | * | * | trans | -66.4 | 104.3 | -177.4 | 176.6 | 73.6 | 0 | 0 | 0 | 110 | P258 P262 | P258-H260 PolarHBondContact O-N 3.48Å; H260-P262 WeakPolarHBondContact O-CD 3.43Å | ||
| 261 | I | 86.1 | Confident | 81.6 | Confident | 151 Ų | 151 | 132.7 Ų | 132.7 | 77% | 0.774 | 68% | 0.681 | S | S | * | * | trans | -78.8 | 108.1 | 171.7 | -56.8 | 177 | 0 | 0 | 0 | 107.2 | Y259 | Y259-I261 PolarHBondContact O-N 3.05Š| ||
| 262 | P | 82.6 | Confident | 81.3 | Confident | 79 Ų | 79 | 133.4 Ų | 133.4 | 51% | 0.513 | 68% | 0.683 | S | S | . | * | trans | -69.3 | 145.9 | 179.8 | 30.7 | -35.6 | 0 | 0 | 0 | 110.3 | H260 | H260-P262 WeakPolarHBondContact O-CD 3.43Š| ||
| 263 | E | 85.6 | Confident | 80.3 | Confident | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -54.7 | 137.2 | 179.8 | -67.2 | -166.8 | 147.7 | 0 | 0 | 112 | K265 | E263-K265 PolarHBondContact O-N 2.91Š| ||
| 264 | P | 85.2 | Confident | 79.6 | Confident | 128 Ų | 128 | 147.1 Ų | 147.1 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | trans | -66 | 101.9 | -178.5 | 26.2 | -34 | 0 | 0 | 0 | 110.5 | T266 | P264-T266 PolarHBondContact O-N 2.91Å; P264-T266 VanDerWaalsContact O-N 3.14Å | ||
| 265 | K | 85 | Confident | 79 | Confident | 157 Ų | 157 | 146.2 Ų | 146.2 | 68% | 0.683 | 72% | 0.717 | S | S | * | * | trans | -56.9 | 117.8 | -178.1 | -66.5 | 171.4 | -175.6 | 157.2 | 0 | 109.9 | E263 Q269 | E263-K265 PolarHBondContact O-N 2.91Å; K265-Q269 HydrophobicContact CB-CB 4.4Å | ||
| 266 | T | 87.2 | Confident | 78.9 | Confident | 83 Ų | 83 | 150.1 Ų | 150.1 | 51% | 0.509 | 72% | 0.721 | S | S | . | * | trans | -59.7 | 150.8 | 179.1 | 35.9 | 0 | 0 | 0 | 0 | 111.3 | P264 Q268 Q269 F270 | P264-T266 PolarHBondContact O-N 2.91Å; P264-T266 VanDerWaalsContact O-N 3.14Å; T266-Q268 PolarHBondContact O-N 2.82Å; T266-Q269 WeakPolarHBondContact O-CA 3.39Å; T266-Q269 WeakPolarHBondContact O-CB 3.28Å; T266-Q269 PolarHBondContact O-N 3.04Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.3Å; T266-F270 PolarHBondContact O-N 3.42Å | ||
| 267 | I | 80.4 | Confident | 78.3 | Confident | 126 Ų | 126 | 150.7 Ų | 150.7 | 65% | 0.646 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -52.6 | -32 | 177.2 | -70.8 | 173.1 | 0 | 0 | 0 | 112.1 | F270 Y271 | I267-F270 WeakPolarHBondContact O-CB 3.46Å; I267-F270 PolarHBondContact O-N 2.71Å; I267-Y271 HydrophobicContact CG2-CD2 3.62Å; I267-Y271 HydrophobicContact CG2-CE2 3.33Å; I267-Y271 VanDerWaalsContact O-CD2 3.31Å; I267-Y271 WeakPolarHBondContact O-CD2 3.44Å; I267-Y271 PolarHBondContact O-N 3.18Å |
| 268 | Q | 76.7 | Confident | 77.4 | Confident | 141 Ų | 141 | 149.6 Ų | 149.6 | 66% | 0.659 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -67.1 | -33.4 | 172 | -68.3 | -166.7 | 2.1 | 0 | 0 | 114 | T266 F270 R272 | T266-Q268 PolarHBondContact O-N 2.82Å; Q268-F270 VanDerWaalsContact C-N 3.32Å; Q268-R272 VanDerWaalsContact O-CG 3.25Å; Q268-R272 WeakPolarHBondContact O-CG 3.43Å; Q268-R272 PolarHBondContact O-N 2.82Å |
| 269 | Q | 81.4 | Confident | 76.7 | Confident | 95 Ų | 95 | 145.8 Ų | 145.8 | 44% | 0.444 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -69.7 | -29.4 | 171.7 | -67.9 | 178.4 | -0.6 | 0 | 0 | 112.2 | K265 T266 | K265-Q269 HydrophobicContact CB-CB 4.4Å; T266-Q269 WeakPolarHBondContact O-CA 3.39Å; T266-Q269 WeakPolarHBondContact O-CB 3.28Å; T266-Q269 PolarHBondContact O-N 3.04Å; T266-Q269 WeakPolarHBondContact OG1-CG 3.3Å |
| 270 | F | 75.9 | Confident | 76.6 | Confident | 172 Ų | 172 | 140 Ų | 140 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -69.9 | -44.3 | 172.1 | -167.7 | -94.4 | 0 | 0 | 0 | 111.6 | T266 I267 Q268 R272 | T266-F270 PolarHBondContact O-N 3.42Å; I267-F270 WeakPolarHBondContact O-CB 3.46Å; I267-F270 PolarHBondContact O-N 2.71Å; Q268-F270 VanDerWaalsContact C-N 3.32Å; F270-R272 VanDerWaalsContact C-N 3.32Å; F270-R272 PolarHBondContact O-N 3.02Å |
| 271 | Y | 78.6 | Confident | 75.9 | Confident | 177 Ų | 177 | 136.4 Ų | 136.4 | 69% | 0.694 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -75.2 | -15.2 | 175.1 | -67.7 | -52.1 | 0 | 0 | 0 | 114.7 | I267 R273 | I267-Y271 HydrophobicContact CG2-CD2 3.62Å; I267-Y271 HydrophobicContact CG2-CE2 3.33Å; I267-Y271 VanDerWaalsContact O-CD2 3.31Å; I267-Y271 WeakPolarHBondContact O-CD2 3.44Å; I267-Y271 PolarHBondContact O-N 3.18Å; Y271-R273 PolarHBondContact O-N 3.21Å |
| 272 | R | 80.2 | Confident | 75.3 | Confident | 170 Ų | 170 | 134.7 Ų | 134.7 | 64% | 0.642 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -68.1 | 81.7 | 162.2 | -77.6 | 173.9 | -162 | -170.1 | 4.9 | 108.9 | Q268 F270 R274 | Q268-R272 VanDerWaalsContact O-CG 3.25Å; Q268-R272 WeakPolarHBondContact O-CG 3.43Å; Q268-R272 PolarHBondContact O-N 2.82Å; F270-R272 VanDerWaalsContact C-N 3.32Å; F270-R272 PolarHBondContact O-N 3.02Å; R272-R274 PolarHBondContact O-N 3.45Å |
| 273 | R | 66.6 | Low | 74.7 | Confident | 237 Ų | 237 | 133.8 Ų | 133.8 | 89% | 0.894 | 66% | 0.661 | S | S | * | * | trans | -50.4 | 98.6 | 166.5 | -68.6 | -176.3 | 178.9 | -175.5 | -0.6 | 108.7 | Y271 A275 | Y271-R273 PolarHBondContact O-N 3.21Å; R273-A275 PolarHBondContact O-N 3.22Å | ||
| 274 | R | 67.8 | Low | 73.8 | Confident | 235 Ų | 235 | 128.4 Ų | 128.4 | 89% | 0.887 | 64% | 0.638 | S | S | * | * | trans | -56 | 126.4 | 165.3 | -69.2 | -174.3 | 176 | -159.1 | -3.2 | 105.8 | R272 R276 | R272-R274 PolarHBondContact O-N 3.45Å; R274-R276 PolarHBondContact O-N 3.33Å; R274-R276 VanDerWaalsContact O-N 3.14Å | ||
| 275 | A | 65.8 | Low | 73.1 | Confident | 68 Ų | 68 | 127.5 Ų | 127.5 | 56% | 0.562 | 63% | 0.625 | S | S | * | * | trans | -57.6 | 123.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | R273 P277 L662 | R273-A275 PolarHBondContact O-N 3.22Å; A275-P277 WeakPolarHBondContact O-CD 3.38Å; A275-L662 HydrophobicContact CB-CD2 4.13Å | ||
| 276 | R | 70.1 | Confident | 72.6 | Confident | 233 Ų | 233 | 128.1 Ų | 128.1 | 88% | 0.879 | 63% | 0.628 | S | S | * | * | trans | -56.5 | 115.9 | 176.4 | -175 | 176 | -175.6 | 164.8 | 2.4 | 106.5 | R274 Q278 | R274-R276 PolarHBondContact O-N 3.33Å; R274-R276 VanDerWaalsContact O-N 3.14Å; R276-Q278 PolarHBondContact O-N 2.96Å | ||
| 277 | P | 65.3 | Low | 72.2 | Confident | 84 Ų | 84 | 126 Ų | 126 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | trans | -62.4 | 129.5 | -173.8 | 27.5 | -35.3 | 0 | 0 | 0 | 107.9 | A275 G279 L284 | A275-P277 WeakPolarHBondContact O-CD 3.38Å; P277-G279 PolarHBondContact O-N 3.09Å; P277-L284 HydrophobicContact CB-CD1 3.65Å; P277-L284 HydrophobicContact CB-CD2 4.23Å; P277-L284 HydrophobicContact CG-CD1 3.85Å | ||
| 278 | Q | 58.4 | Low | 71.8 | Confident | 133 Ų | 133 | 123.7 Ų | 123.7 | 62% | 0.621 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -86.3 | 107.6 | -156.4 | -160.1 | -175.4 | 22 | 0 | 0 | 111.5 | R276 A659 A660 | R276-Q278 PolarHBondContact O-N 2.96Å; Q278-A659 PolarHBondContact NE2-O 3.21Å; Q278-A659 PolarHBondContact OE1-O 3Å; Q278-A660 VanDerWaalsContact OE1-CA 3.27Å |
| 279 | G | 67.3 | Low | 71.6 | Confident | 47 Ų | 47 | 126.4 Ų | 126.4 | 49% | 0.485 | 62% | 0.615 | S | S | . | * | S | Bend | trans | 151.1 | -179.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P277 A281 | P277-G279 PolarHBondContact O-N 3.09Å; G279-A281 PolarHBondContact O-N 3.37Å |
| 280 | P | 78.7 | Confident | 71.1 | Confident | 97 Ų | 97 | 127 Ų | 127 | 63% | 0.63 | 62% | 0.615 | S | S | * | * | trans | -59.8 | 133.1 | 168.2 | -20.4 | 33 | 0 | 0 | 0 | 110.1 | M282 A283 L284 | P280-M282 PolarHBondContact O-N 3.43Å; P280-A283 HydrophobicContact CB-CB 4.24Å; P280-A283 HydrophobicContact CG-CB 4.5Å; P280-A283 WeakPolarHBondContact O-CB 3.45Å; P280-A283 PolarHBondContact O-N 3.02Å; P280-L284 PolarHBondContact O-N 2.84Å | ||
| 281 | A | 70 | Confident | 70.7 | Confident | 79 Ų | 79 | 121.4 Ų | 121.4 | 65% | 0.653 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -57.5 | -39 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | G279 A283 L284 L285 | G279-A281 PolarHBondContact O-N 3.37Å; A281-A283 VanDerWaalsContact C-N 3.27Å; A281-A283 PolarHBondContact O-N 3.29Å; A281-L284 PolarHBondContact O-N 3.17Å; A281-L285 PolarHBondContact O-N 2.78Å |
| 282 | M | 73.4 | Confident | 70.4 | Confident | 116 Ų | 116 | 117.8 Ų | 117.8 | 57% | 0.571 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63 | -29 | 176.4 | -61.4 | -58 | -82.6 | 0 | 0 | 113.5 | P280 K286 | P280-M282 PolarHBondContact O-N 3.43Å; M282-K286 VanDerWaalsContact O-CB 3.23Å; M282-K286 WeakPolarHBondContact O-CB 3.45Å; M282-K286 VanDerWaalsContact O-CG 3.26Å; M282-K286 WeakPolarHBondContact O-CG 3.31Å; M282-K286 PolarHBondContact O-N 3.05Å |
| 283 | A | 69.8 | Low | 69.8 | Low | 59 Ų | 59 | 115.1 Ų | 115.1 | 49% | 0.488 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.9 | -27.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P280 A281 S287 | P280-A283 HydrophobicContact CB-CB 4.24Å; P280-A283 HydrophobicContact CG-CB 4.5Å; P280-A283 WeakPolarHBondContact O-CB 3.45Å; P280-A283 PolarHBondContact O-N 3.02Å; A281-A283 VanDerWaalsContact C-N 3.27Å; A281-A283 PolarHBondContact O-N 3.29Å; A283-S287 WeakPolarHBondContact O-CB 3.28Å; A283-S287 PolarHBondContact O-N 3.44Å |
| 284 | L | 66.1 | Low | 69.8 | Low | 60 Ų | 60 | 110.3 Ų | 110.3 | 31% | 0.314 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -77.5 | -44.4 | 171.9 | -78.2 | 147.1 | 0 | 0 | 0 | 111.2 | P277 P280 A281 K286 S287 Y290 | P277-L284 HydrophobicContact CB-CD1 3.65Å; P277-L284 HydrophobicContact CB-CD2 4.23Å; P277-L284 HydrophobicContact CG-CD1 3.85Å; P280-L284 PolarHBondContact O-N 2.84Å; A281-L284 PolarHBondContact O-N 3.17Å; L284-K286 VanDerWaalsContact C-N 3.3Å; L284-K286 PolarHBondContact O-N 2.88Å; L284-S287 WeakPolarHBondContact O-CB 3.45Å; L284-S287 PolarHBondContact O-N 3.43Å; L284-S287 PolarHBondContact O-OG 3.35Å; L284-Y290 VanDerWaalsContact O-CB 3.24Å; L284-Y290 WeakPolarHBondContact O-CB 3.35Å |
| 285 | L | 70.3 | Confident | 69.8 | Low | 109 Ų | 109 | 106 Ų | 106 | 57% | 0.571 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64 | -34.5 | 177.7 | -168.3 | 64.7 | 0 | 0 | 0 | 112.3 | A281 S287 Y290 | A281-L285 PolarHBondContact O-N 2.78Å; L285-S287 VanDerWaalsContact C-N 3.34Å; L285-Y290 HydrophobicContact CD1-CD1 3.97Å; L285-Y290 HydrophobicContact CD1-CE1 3.8Å |
| 286 | K | 75.3 | Confident | 69.2 | Low | 170 Ų | 170 | 109.4 Ų | 109.4 | 74% | 0.739 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | 10.5 | 172.4 | -64.3 | 179.1 | 176.9 | -173.8 | 0 | 114 | M282 L284 | M282-K286 VanDerWaalsContact O-CB 3.23Å; M282-K286 WeakPolarHBondContact O-CB 3.45Å; M282-K286 VanDerWaalsContact O-CG 3.26Å; M282-K286 WeakPolarHBondContact O-CG 3.31Å; M282-K286 PolarHBondContact O-N 3.05Å; L284-K286 VanDerWaalsContact C-N 3.3Å; L284-K286 PolarHBondContact O-N 2.88Å |
| 287 | S | 78.1 | Confident | 67.9 | Low | 38 Ų | 38 | 105.9 Ų | 105.9 | 27% | 0.266 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -86.5 | 135 | 177.6 | 74 | 0 | 0 | 0 | 0 | 111.5 | A283 L284 L285 R289 Y290 S291 | A283-S287 WeakPolarHBondContact O-CB 3.28Å; A283-S287 PolarHBondContact O-N 3.44Å; L284-S287 WeakPolarHBondContact O-CB 3.45Å; L284-S287 PolarHBondContact O-N 3.43Å; L284-S287 PolarHBondContact O-OG 3.35Å; L285-S287 VanDerWaalsContact C-N 3.34Å; S287-R289 PolarHBondContact O-N 3.14Å; S287-Y290 PolarHBondContact O-N 2.78Å; S287-S291 PolarHBondContact O-N 3.29Å; S287-S291 PolarHBondContact O-OG 3.29Å |
| 288 | S | 73.1 | Confident | 66.9 | Low | 77 Ų | 77 | 108.1 Ų | 108.1 | 54% | 0.538 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -49.7 | -39.5 | -179.4 | -160.2 | 0 | 0 | 0 | 0 | 112.6 | Y290 S291 E292 | S288-Y290 VanDerWaalsContact C-N 3.3Å; S288-Y290 PolarHBondContact O-N 2.68Å; S288-S291 WeakPolarHBondContact CA-OG 3.41Å; S288-S291 PolarHBondContact O-N 3Å; S288-S291 PolarHBondContact O-OG 2.9Å; S288-E292 WeakPolarHBondContact CB-OE1 3.22Å; S288-E292 WeakPolarHBondContact O-CB 3.41Å; S288-E292 WeakPolarHBondContact O-CG 3.44Å; S288-E292 PolarHBondContact O-N 2.99Å; S288-E292 PolarHBondContact OG-OE1 2.9Å |
| 289 | R | 71.7 | Confident | 65.9 | Low | 198 Ų | 198 | 109.5 Ų | 109.5 | 75% | 0.747 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.1 | -26 | 178.7 | -66.1 | -175.2 | 178.6 | -172.9 | -1.4 | 114.7 | S287 E292 L293 | S287-R289 PolarHBondContact O-N 3.14Å; R289-E292 WeakPolarHBondContact CA-OE2 3.45Å; R289-L293 WeakPolarHBondContact O-CB 3.16Å; R289-L293 PolarHBondContact O-N 2.94Å |
| 290 | Y | 70.2 | Confident | 64.4 | Low | 109 Ų | 109 | 111.4 Ų | 111.4 | 43% | 0.427 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -85.3 | -35.1 | 175.6 | -160.7 | -94.2 | 0 | 0 | 0 | 111.3 | L284 L285 S287 S288 L293 M294 | L284-Y290 VanDerWaalsContact O-CB 3.24Å; L284-Y290 WeakPolarHBondContact O-CB 3.35Å; L285-Y290 HydrophobicContact CD1-CD1 3.97Å; L285-Y290 HydrophobicContact CD1-CE1 3.8Å; S287-Y290 PolarHBondContact O-N 2.78Å; S288-Y290 VanDerWaalsContact C-N 3.3Å; S288-Y290 PolarHBondContact O-N 2.68Å; Y290-L293 PolarHBondContact O-N 3.44Å; Y290-M294 HydrophobicContact CD1-CG 4.09Å; Y290-M294 HydrophobicContact CE1-CG 3.91Å; Y290-M294 HydrophobicContact CE1-SD 4.24Å; Y290-M294 WeakPolarHBondContact O-CB 3.34Å; Y290-M294 VanDerWaalsContact O-CG 3.22Å; Y290-M294 WeakPolarHBondContact O-CG 3.42Å; Y290-M294 PolarHBondContact O-N 2.77Å |
| 291 | S | 69.1 | Low | 62.4 | Low | 53 Ų | 53 | 112.5 Ų | 112.5 | 37% | 0.371 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.6 | -40.2 | 168.3 | 41.2 | 0 | 0 | 0 | 0 | 112.3 | S287 S288 M294 L295 | S287-S291 PolarHBondContact O-N 3.29Å; S287-S291 PolarHBondContact O-OG 3.29Å; S288-S291 WeakPolarHBondContact CA-OG 3.41Å; S288-S291 PolarHBondContact O-N 3Å; S288-S291 PolarHBondContact O-OG 2.9Å; S291-M294 PolarHBondContact O-N 2.98Å; S291-L295 VanDerWaalsContact O-CG 3.32Å; S291-L295 WeakPolarHBondContact O-CG 3.33Å; S291-L295 PolarHBondContact O-N 3.49Å |
| 292 | E | 71.4 | Confident | 60.8 | Low | 102 Ų | 102 | 114.5 Ų | 114.5 | 48% | 0.477 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -57.9 | -50.2 | 172.1 | -74.4 | 150.5 | -150.8 | 0 | 0 | 110.8 | S288 R289 M294 L295 E296 | S288-E292 WeakPolarHBondContact CB-OE1 3.22Å; S288-E292 WeakPolarHBondContact O-CB 3.41Å; S288-E292 WeakPolarHBondContact O-CG 3.44Å; S288-E292 PolarHBondContact O-N 2.99Å; S288-E292 PolarHBondContact OG-OE1 2.9Å; R289-E292 WeakPolarHBondContact CA-OE2 3.45Å; E292-M294 PolarHBondContact O-N 3.41Å; E292-L295 CarbonylContact O-C 3.52Å; E292-L295 PolarHBondContact O-N 2.74Å; E292-E296 PolarHBondContact O-N 3.18Å |
| 293 | L | 67.6 | Low | 58.7 | Low | 114 Ų | 114 | 115.5 Ų | 115.5 | 60% | 0.597 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.5 | -16.9 | 176.2 | -87.9 | 166.7 | 0 | 0 | 0 | 115.1 | R289 Y290 | R289-L293 WeakPolarHBondContact O-CB 3.16Å; R289-L293 PolarHBondContact O-N 2.94Å; Y290-L293 PolarHBondContact O-N 3.44Å |
| 294 | M | 67 | Low | 57 | Low | 136 Ų | 136 | 121.6 Ų | 121.6 | 67% | 0.67 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -89.6 | -19.2 | 172.5 | -74.5 | -69.8 | -57.3 | 0 | 0 | 112.5 | Y290 S291 E292 | Y290-M294 HydrophobicContact CD1-CG 4.09Å; Y290-M294 HydrophobicContact CE1-CG 3.91Å; Y290-M294 HydrophobicContact CE1-SD 4.24Å; Y290-M294 WeakPolarHBondContact O-CB 3.34Å; Y290-M294 VanDerWaalsContact O-CG 3.22Å; Y290-M294 WeakPolarHBondContact O-CG 3.42Å; Y290-M294 PolarHBondContact O-N 2.77Å; S291-M294 PolarHBondContact O-N 2.98Å; E292-M294 PolarHBondContact O-N 3.41Å |
| 295 | L | 67.1 | Low | 55.4 | Low | 144 Ų | 144 | 127.7 Ų | 127.7 | 75% | 0.754 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -93.9 | -19.7 | 174.6 | -69.5 | 165.4 | 0 | 0 | 0 | 112.3 | S291 E292 M297 | S291-L295 VanDerWaalsContact O-CG 3.32Å; S291-L295 WeakPolarHBondContact O-CG 3.33Å; S291-L295 PolarHBondContact O-N 3.49Å; E292-L295 CarbonylContact O-C 3.52Å; E292-L295 PolarHBondContact O-N 2.74Å; L295-M297 PolarHBondContact O-N 3.36Å; L295-M297 VanDerWaalsContact O-N 3.12Å |
| 296 | E | 53.3 | Low | 53.6 | Low | 140 Ų | 140 | 130.9 Ų | 130.9 | 65% | 0.654 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -73.2 | 97.9 | 176 | -169.4 | 172.3 | -155.2 | 0 | 0 | 111.4 | E292 | E292-E296 PolarHBondContact O-N 3.18Š|
| 297 | M | 43.7 | Very low | 51.6 | Low | 158 Ų | 158 | 127.3 Ų | 127.3 | 78% | 0.778 | 70% | 0.695 | S | S | * | * | trans | -57.1 | 135.4 | 173.7 | -77.5 | 173.1 | 52.2 | 0 | 0 | 111.7 | L295 L299 | L295-M297 PolarHBondContact O-N 3.36Å; L295-M297 VanDerWaalsContact O-N 3.12Å; M297-L299 PolarHBondContact O-N 2.82Å | ||
| 298 | P | 42.8 | Very low | 49.6 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 86% | 0.857 | 72% | 0.721 | S | S | * | * | trans | -72.6 | 99.1 | -179.9 | 29.3 | -34.6 | 0 | 0 | 0 | 111.7 | ||||
| 299 | L | 37.1 | Very low | 48.4 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 85% | 0.848 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 155.4 | 162.9 | -107.6 | 72.7 | 0 | 0 | 0 | 111.1 | M297 | M297-L299 PolarHBondContact O-N 2.82Š|
| 300 | A | 37.4 | Very low | 46.5 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 72% | 0.719 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 148.4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 301 | P | 35.3 | Very low | 45.3 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 132 | -172 | 26.4 | -35.2 | 0 | 0 | 0 | 112.9 | ||
| 302 | P | 36.5 | Very low | 43.4 | Very low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 137.6 | 175.3 | 30.5 | -34.2 | 0 | 0 | 0 | 112.2 | ||
| 303 | T | 30.5 | Very low | 41.4 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 128 | 176.8 | -47.3 | 0 | 0 | 0 | 0 | 111.5 | ||
| 304 | Q | 32.7 | Very low | 39.6 | Very low | 188 Ų | 188 | 135.9 Ų | 135.9 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 145.5 | 171.1 | -69.2 | -175.5 | -19.1 | 0 | 0 | 111.6 | ||
| 305 | Q | 34 | Very low | 37.8 | Very low | 188 Ų | 188 | 134.8 Ų | 134.8 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -122 | 142.4 | 166.7 | -71.9 | -173.3 | -23.8 | 0 | 0 | 109.4 | ||||
| 306 | D | 31.1 | Very low | 36.1 | Very low | 176 Ų | 176 | 135 Ų | 135 | 94% | 0.941 | 80% | 0.797 | S | S | * | * | trans | -81.2 | 129.5 | -176.8 | -68.7 | -70.3 | 0 | 0 | 0 | 113.6 | ||||
| 307 | A | 33 | Very low | 35.1 | Very low | 95 Ų | 95 | 136.8 Ų | 136.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -157.1 | 141.7 | 156.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 308 | P | 37 | Very low | 34.5 | Very low | 127 Ų | 127 | 136 Ų | 136 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | -90.8 | 160.3 | -173.3 | 35.1 | -36.2 | 0 | 0 | 0 | 115.2 | ||||
| 309 | P | 48.3 | Very low | 33.9 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | -106.6 | 161.6 | -171.1 | 40.4 | -35.8 | 0 | 0 | 0 | 115.8 | ||||
| 310 | S | 31.6 | Very low | 33.5 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -170.3 | 172.5 | 154 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 311 | P | 45.3 | Very low | 33.1 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 68% | 0.682 | 80% | 0.797 | S | S | * | * | -137.4 | -175.5 | -90 | 38.7 | -18.7 | 0 | 0 | 0 | 116.9 | |||||
| 312 | D | 28.9 | Very low | 33.4 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | 92.3 | 130.1 | 139 | -88 | -22.8 | 0 | 0 | 0 | 124.6 | ||||
| 313 | L | 30 | Very low | 33.2 | Very low | 155 Ų | 155 | 136.6 Ų | 136.6 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | trans | 67.8 | 151 | 152.9 | -57.9 | 170.4 | 0 | 0 | 0 | 120 | ||||
| 314 | S | 29.9 | Very low | 33.7 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | cis | -172.2 | 172 | -24.2 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 315 | S | 27.9 | Very low | 33.4 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | 87.9 | 157.9 | 156.6 | -151.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 316 | N | 30.9 | Very low | 33.1 | Very low | 149 Ų | 149 | 127.9 Ų | 127.9 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | trans | -123.2 | 156.6 | -173.1 | -50.2 | -93 | 0 | 0 | 0 | 110.3 | ||||
| 317 | Q | 32.6 | Very low | 32.9 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | -175.9 | 124.2 | 131.4 | -102.8 | 177.9 | 28.7 | 0 | 0 | 114.8 | ||||
| 318 | I | 31 | Very low | 32.6 | Very low | 142 Ų | 142 | 125.8 Ų | 125.8 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | 54 | 122.8 | 128 | -54.5 | 173.7 | 0 | 0 | 0 | 121.4 | |||||
| 319 | Q | 31.3 | Very low | 32.1 | Very low | 179 Ų | 179 | 124.7 Ų | 124.7 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -7.5 | 159.5 | 140.5 | -74 | 168.7 | -10.4 | 0 | 0 | 120.3 | ||||
| 320 | S | 29.2 | Very low | 32.2 | Very low | 87 Ų | 87 | 123.6 Ų | 123.6 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | cis | -178.4 | 149.6 | -6.9 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 321 | L | 28.9 | Very low | 32 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | 63.9 | 170.4 | 155 | -66.7 | 169.6 | 0 | 0 | 0 | 117.5 | ||||
| 322 | P | 41 | Very low | 31.4 | Very low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | cis | -122.2 | -175.6 | -5.1 | 41.7 | -27.4 | 0 | 0 | 0 | 114.7 | ||||
| 323 | A | 32.2 | Very low | 31.4 | Very low | 85 Ų | 85 | 127.5 Ų | 127.5 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | trans | -81.3 | 173.6 | 163 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 324 | P | 41.8 | Very low | 31.4 | Very low | 132 Ų | 132 | 127.2 Ų | 127.2 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | -141.9 | -177.4 | 98.9 | 40.8 | -28.4 | 0 | 0 | 0 | 114.2 | |||||
| 325 | A | 25.5 | Very low | 31.4 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -119.8 | -176.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 326 | A | 27.7 | Very low | 32 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 100.7 | 134.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 327 | A | 26.3 | Very low | 32 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | 59.8 | 111.9 | 149.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 328 | S | 26.6 | Very low | 31.8 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 87% | 0.874 | 76% | 0.757 | S | S | * | * | -158.7 | 158.4 | 108.5 | -160 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 329 | S | 26.3 | Very low | 31.8 | Very low | 105 Ų | 105 | 127.5 Ų | 127.5 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -141.9 | -178.3 | 174.5 | -149.1 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 330 | P | 51.9 | Low | 32.4 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | cis | -128.6 | -145.1 | -17.1 | 38.4 | -18.7 | 0 | 0 | 0 | 110.8 | ||||
| 331 | Q | 27.6 | Very low | 32.5 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 89.2 | 132.1 | 156.6 | -143.7 | 149.2 | -1.2 | 0 | 0 | 115 | ||||
| 332 | Q | 31.7 | Very low | 32.9 | Very low | 130 Ų | 130 | 126.4 Ų | 126.4 | 61% | 0.607 | 76% | 0.764 | S | S | * | * | cis | -156.3 | 131.3 | 23 | -162.5 | 158.6 | 21 | 0 | 0 | 115.2 | ||||
| 333 | Q | 30 | Very low | 32.4 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | trans | 61.4 | 143.5 | 151.2 | -72.9 | 161 | -4.6 | 0 | 0 | 119.2 | ||||
| 334 | N | 29.2 | Very low | 32.3 | Very low | 148 Ų | 148 | 131.8 Ų | 131.8 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | cis | -136 | 164.4 | 15.8 | -98.7 | -26.4 | 0 | 0 | 0 | 113.9 | ||||
| 335 | L | 30.6 | Very low | 31.7 | Very low | 154 Ų | 154 | 128.6 Ų | 128.6 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -102.8 | 174.3 | 169.3 | -84.2 | 172.7 | 0 | 0 | 0 | 109.8 | ||||
| 336 | P | 40.8 | Very low | 32.4 | Very low | 125 Ų | 125 | 129.9 Ų | 129.9 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | cis | -139.2 | -166.5 | 28.9 | 41.5 | -21.4 | 0 | 0 | 0 | 115.9 | ||||
| 337 | A | 29.6 | Very low | 32.5 | Very low | 65 Ų | 65 | 132.2 Ų | 132.2 | 54% | 0.537 | 77% | 0.765 | S | S | . | * | cis | -179.5 | 156.3 | -46 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 338 | E | 29.5 | Very low | 32.6 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | 56.8 | 120.1 | 174.9 | -35.1 | -52.3 | 82.7 | 0 | 0 | 116.6 | ||||
| 339 | E | 31.2 | Very low | 32.6 | Very low | 179 Ų | 179 | 131.9 Ų | 131.9 | 84% | 0.836 | 74% | 0.738 | S | S | * | * | 67.6 | 148.3 | 72.6 | -76 | -161.8 | -165.5 | 0 | 0 | 115.6 | |||||
| 340 | P | 43.2 | Very low | 32.5 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | cis | -130.7 | -171.2 | 8.7 | 42.4 | -25.3 | 0 | 0 | 0 | 115.9 | ||||
| 341 | E | 31.1 | Very low | 31.4 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -60.1 | 153.2 | 161.6 | -66.5 | -77.3 | 141.2 | 0 | 0 | 112.2 | ||||
| 342 | P | 37.2 | Very low | 31.3 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | -150 | -177.9 | 96.2 | 41.2 | -23.9 | 0 | 0 | 0 | 116.2 | |||||
| 343 | E | 31 | Very low | 31.1 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | trans | -76.6 | 173.6 | -171.7 | -54.2 | 176.9 | 118.5 | 0 | 0 | 117 | ||||
| 344 | S | 28.8 | Very low | 31 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | 92.3 | 145.2 | 162.1 | -151.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 345 | G | 30.5 | Very low | 30.9 | Very low | 65 Ų | 65 | 133.9 Ų | 133.9 | 67% | 0.67 | 75% | 0.749 | S | S | * | * | trans | -89.7 | -168.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 346 | P | 40.1 | Very low | 30.6 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | cis | -144.2 | 179.6 | 32.4 | 42.4 | -22.7 | 0 | 0 | 0 | 117.8 | ||||
| 347 | M | 28.6 | Very low | 30.1 | Very low | 149 Ų | 149 | 134 Ų | 134 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | 31.7 | 117.2 | 146.8 | -75.8 | -97.9 | -78.3 | 0 | 0 | 122.9 | ||||
| 348 | L | 29.8 | Very low | 29.9 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 58% | 0.581 | 76% | 0.762 | S | S | * | * | trans | 72.1 | 155.1 | 144.6 | -51.2 | 177.2 | 0 | 0 | 0 | 117.6 | M598 | L348-M598 HydrophobicContact CD1-CE 3.73Å; L348-M598 HydrophobicContact CD1-SD 3.89Å | ||
| 349 | L | 25.6 | Very low | 29.9 | Very low | 108 Ų | 108 | 135.6 Ų | 135.6 | 57% | 0.565 | 76% | 0.761 | S | S | * | * | cis | -156.3 | 165.6 | 11.1 | -158.1 | 67.2 | 0 | 0 | 0 | 112.4 | M598 | L349-M598 HydrophobicContact CD1-CE 3.84Å; L349-M598 HydrophobicContact CD2-CE 3.64Å; L349-M598 HydrophobicContact CG-CE 4.31Å | ||
| 350 | L | 25.5 | Very low | 29.8 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | 70.5 | 108.4 | 160.5 | -57.4 | -170.9 | 0 | 0 | 0 | 122.9 | ||||
| 351 | S | 28.6 | Very low | 29 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | 50.6 | 121.4 | 112.5 | -50.1 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 352 | E | 25.5 | Very low | 28.9 | Very low | 181 Ų | 181 | 129.8 Ų | 129.8 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | trans | 177.3 | 156.6 | 137.5 | -91.4 | -148.4 | 118.5 | 0 | 0 | 107.3 | ||||
| 353 | T | 26.5 | Very low | 28.4 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 63% | 0.626 | 75% | 0.754 | S | S | * | * | cis | -157.9 | -178.3 | -7.2 | 12.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 354 | L | 27.2 | Very low | 28.4 | Very low | 144 Ų | 144 | 127.7 Ų | 127.7 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | trans | 88.4 | 146.7 | 162.4 | -69.9 | 108.4 | 0 | 0 | 0 | 119.4 | ||||
| 355 | Q | 27.4 | Very low | 29.2 | Very low | 171 Ų | 171 | 125.8 Ų | 125.8 | 80% | 0.799 | 74% | 0.736 | S | S | * | * | cis | 168.2 | 125.2 | -37.1 | 158.1 | -178.6 | 103.7 | 0 | 0 | 108.5 | ||||
| 356 | E | 24.4 | Very low | 29 | Very low | 188 Ų | 188 | 130.4 Ų | 130.4 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | trans | -149.2 | 156 | 149.8 | -154 | 156.3 | 176.9 | 0 | 0 | 112.4 | ||||
| 357 | S | 29.9 | Very low | 29.3 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 64% | 0.643 | 74% | 0.739 | S | S | * | * | trans | -71.3 | 159.5 | -157.4 | 62.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 358 | L | 26.7 | Very low | 29.3 | Very low | 175 Ų | 175 | 130.1 Ų | 130.1 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | -147.4 | 171 | 107.9 | -92.4 | -171.5 | 0 | 0 | 0 | 110.5 | |||||
| 359 | A | 29 | Very low | 29.2 | Very low | 90 Ų | 90 | 128.2 Ų | 128.2 | 74% | 0.744 | 75% | 0.751 | S | S | * | * | trans | -104.5 | 147.5 | -152.4 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 360 | A | 29.1 | Very low | 29.3 | Very low | 100 Ų | 100 | 126.9 Ų | 126.9 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | 32.6 | 127.3 | 144.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 361 | D | 27 | Very low | 30.4 | Very low | 144 Ų | 144 | 125.9 Ų | 125.9 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | 170.8 | 157.8 | 60.9 | -171.2 | 9.2 | 0 | 0 | 0 | 110.7 | |||||
| 362 | S | 27.6 | Very low | 30.6 | Very low | 96 Ų | 96 | 129.8 Ų | 129.8 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | trans | 49.3 | 116.7 | 153.3 | -70.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 363 | A | 28.6 | Very low | 31 | Very low | 91 Ų | 91 | 129 Ų | 129 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | 79.8 | 112.9 | 124.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 364 | E | 30.5 | Very low | 31.1 | Very low | 178 Ų | 178 | 128.3 Ų | 128.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | 31.5 | 157.9 | 109.1 | -75.3 | -138.8 | 144.5 | 0 | 0 | 122.4 | |||||
| 365 | P | 45.4 | Very low | 31.2 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 56% | 0.558 | 77% | 0.771 | S | S | * | * | cis | -147 | 171.4 | -34.7 | 41.1 | -23.8 | 0 | 0 | 0 | 115.7 | ||||
| 366 | L | 26.4 | Very low | 31.2 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | 61.4 | 178.9 | 143 | -81.7 | 171.5 | 0 | 0 | 0 | 119.7 | ||||
| 367 | P | 46.9 | Very low | 31.4 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | cis | -133.8 | -179.7 | -22.9 | 35.6 | -16.8 | 0 | 0 | 0 | 116.1 | ||||
| 368 | D | 27.8 | Very low | 31.3 | Very low | 161 Ų | 161 | 123.3 Ų | 123.3 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | 71.4 | 124.9 | 140.6 | -121.7 | -19.4 | 0 | 0 | 0 | 124.9 | ||||
| 369 | G | 28.3 | Very low | 31.5 | Very low | 70 Ų | 70 | 123.7 Ų | 123.7 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | 109.1 | 113.8 | 96.6 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 370 | G | 27 | Very low | 32.1 | Very low | 80 Ų | 80 | 124.2 Ų | 124.2 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | 163.9 | 116.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 371 | P | 47.8 | Very low | 32 | Very low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -127.3 | -179.5 | -173.6 | 41.7 | -29.4 | 0 | 0 | 0 | 116.8 | ||||
| 372 | K | 33.8 | Very low | 32.2 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 108.7 | 151.3 | 163.6 | -67.5 | 178.9 | -178 | -177.2 | 0 | 117 | ||||
| 373 | Q | 32.9 | Very low | 32.4 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | cis | -174.7 | 156.4 | -25.5 | -157.7 | 174 | -2.4 | 0 | 0 | 110.3 | ||||
| 374 | S | 29.3 | Very low | 33.2 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | trans | 84.2 | 122.3 | 152.7 | -57.1 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 375 | Q | 30.3 | Very low | 33.3 | Very low | 185 Ų | 185 | 128.2 Ų | 128.2 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | 78 | 119.4 | 128 | -71.5 | -178.9 | -33.6 | 0 | 0 | 125.5 | |||||
| 376 | A | 25.9 | Very low | 33.4 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | 79.6 | 111.2 | 119.7 | 0 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 377 | A | 28.8 | Very low | 34.5 | Very low | 90 Ų | 90 | 127.2 Ų | 127.2 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | 68.5 | 144.9 | 119 | 0 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 378 | S | 28.8 | Very low | 33.7 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 80.4 | 150.8 | 151.1 | 47.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 379 | E | 30 | Very low | 34 | Very low | 183 Ų | 183 | 124.3 Ų | 124.3 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -79.9 | -164.6 | -172.4 | -53.1 | 170.8 | 95.4 | 0 | 0 | 112.9 | ||||
| 380 | P | 41.5 | Very low | 34.6 | Very low | 102 Ų | 102 | 126.7 Ų | 126.7 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | cis | -148.3 | 175.9 | 6.7 | 44.8 | -24.2 | 0 | 0 | 0 | 120.9 | ||||
| 381 | Q | 28.2 | Very low | 35 | Very low | 179 Ų | 179 | 131.4 Ų | 131.4 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 69.8 | 142.8 | 141.2 | -86.6 | 178 | -8.2 | 0 | 0 | 125.2 | ||||
| 382 | S | 29.8 | Very low | 34.7 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 94.7 | 123.5 | 140.5 | 66 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 383 | D | 31.8 | Very low | 34.9 | Very low | 152 Ų | 152 | 126.5 Ų | 126.5 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -75.5 | -179 | 163.2 | -64.5 | -71.3 | 0 | 0 | 0 | 112.4 | ||||
| 384 | P | 45.5 | Very low | 35.6 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -149.9 | 172.8 | 19.2 | 44.6 | -23.8 | 0 | 0 | 0 | 121.3 | ||||
| 385 | V | 32.2 | Very low | 36.8 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | 84.9 | 140.1 | 142.2 | 151.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 386 | P | 49.3 | Very low | 38 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | trans | -115.2 | -144.1 | -158.6 | 43.1 | -25.2 | 0 | 0 | 0 | 111.2 | ||||
| 387 | P | 48.1 | Very low | 40.2 | Very low | 119 Ų | 119 | 133 Ų | 133 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | cis | -130.2 | -169.3 | -18.3 | 41.8 | -24.6 | 0 | 0 | 0 | 113.9 | ||||
| 388 | S | 31.3 | Very low | 42.5 | Very low | 115 Ų | 115 | 133 Ų | 133 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | 171.9 | 120.9 | 138.7 | -177 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 389 | A | 34.3 | Very low | 44.7 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | trans | 68.5 | 154.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 390 | P | 40.8 | Very low | 46.5 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | trans | -125.2 | -159.2 | -158.6 | 42.6 | -25 | 0 | 0 | 0 | 115.9 | ||||
| 391 | E | 34.2 | Very low | 48.1 | Very low | 178 Ų | 178 | 131 Ų | 131 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | 81 | 146.6 | 172.2 | -79.1 | -146.6 | 178.9 | 0 | 0 | 120.1 | ||||
| 392 | P | 42 | Very low | 50.2 | Low | 100 Ų | 100 | 130.6 Ų | 130.6 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | -131.8 | 169.3 | -57.7 | 30.3 | -10.3 | 0 | 0 | 0 | 113 | R394 | P392-R394 PolarHBondContact O-N 3.49Š| |||
| 393 | A | 37.1 | Very low | 52.4 | Low | 105 Ų | 105 | 128.7 Ų | 128.7 | 87% | 0.868 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 121.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 394 | R | 48 | Very low | 54.5 | Low | 222 Ų | 222 | 127 Ų | 127 | 84% | 0.838 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 138.2 | 179.4 | -61 | -175.1 | -172.7 | -171.8 | 3.1 | 111.7 | P392 | P392-R394 PolarHBondContact O-N 3.49Š|
| 395 | P | 54.8 | Low | 56 | Low | 121 Ų | 121 | 127.7 Ų | 127.7 | 79% | 0.786 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 148.8 | 177.8 | 25.2 | -34 | 0 | 0 | 0 | 112.4 | K397 | P395-K397 PolarHBondContact O-N 2.82Å; P395-K397 VanDerWaalsContact O-N 3.07Å |
| 396 | K | 56.7 | Low | 57.9 | Low | 212 Ų | 212 | 127.1 Ų | 127.1 | 92% | 0.922 | 67% | 0.674 | S | S | * | * | trans | -63.7 | 106.5 | -173.1 | -65 | 169.7 | -176.7 | 169.6 | 0 | 110.7 | ||||
| 397 | K | 72.1 | Confident | 58.9 | Low | 111 Ų | 111 | 124.9 Ų | 124.9 | 48% | 0.483 | 67% | 0.671 | S | S | . | * | trans | -58.5 | 142.6 | 173.8 | -57.6 | -177.4 | -167 | 172.9 | 0 | 110.8 | P395 E405 | P395-K397 PolarHBondContact O-N 2.82Å; P395-K397 VanDerWaalsContact O-N 3.07Å; K397-E405 WeakPolarHBondContact CD-OE2 3.22Å; K397-E405 IonicContact NZ-OE1 2.92Å; K397-E405 PolarHBondContact NZ-OE1 2.74Å; K397-E405 IonicContact NZ-OE2 3.08Å; K397-E405 PolarHBondContact NZ-OE2 3.09Å | ||
| 398 | D | 76.4 | Confident | 59.9 | Low | 90 Ų | 90 | 124.8 Ų | 124.8 | 48% | 0.481 | 66% | 0.663 | S | S | . | * | trans | -54.4 | 147.7 | 174.3 | 159.3 | 61.4 | 0 | 0 | 0 | 112.7 | M400 S401 R402 | D398-M400 VanDerWaalsContact C-N 3.34Å; D398-M400 PolarHBondContact O-N 2.83Å; D398-M400 WeakPolarHBondContact OD2-CA 3.23Å; D398-M400 VanDerWaalsContact OD2-CB 3.27Å; D398-M400 WeakPolarHBondContact OD2-CB 3.45Å; D398-M400 PolarHBondContact OD2-N 3.12Å; D398-S401 WeakPolarHBondContact O-CB 3.14Å; D398-S401 PolarHBondContact O-N 3.02Å; D398-S401 VanDerWaalsContact O-N 3.15Å; D398-S401 PolarHBondContact OD2-N 3.25Å; D398-S401 VanDerWaalsContact OD2-N 3.15Å; D398-R402 PolarHBondContact O-N 2.91Å | ||
| 399 | R | 75.2 | Confident | 61.9 | Low | 196 Ų | 196 | 124.3 Ų | 124.3 | 74% | 0.74 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -59.3 | -39 | -177.6 | -78.3 | -175.8 | 171.5 | 178.7 | -1.6 | 112.5 | S401 R402 L403 | R399-S401 VanDerWaalsContact C-N 3.34Å; R399-R402 PolarHBondContact O-N 3.19Å; R399-L403 WeakPolarHBondContact O-CG 3.26Å; R399-L403 PolarHBondContact O-N 2.9Å |
| 400 | M | 68.3 | Low | 63.4 | Low | 108 Ų | 108 | 124.1 Ų | 124.1 | 53% | 0.532 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -70.4 | -34.3 | 178.7 | -57.8 | -58.6 | -64.4 | 0 | 0 | 111.7 | D398 L403 K404 | D398-M400 VanDerWaalsContact C-N 3.34Å; D398-M400 PolarHBondContact O-N 2.83Å; D398-M400 WeakPolarHBondContact OD2-CA 3.23Å; D398-M400 VanDerWaalsContact OD2-CB 3.27Å; D398-M400 WeakPolarHBondContact OD2-CB 3.45Å; D398-M400 PolarHBondContact OD2-N 3.12Å; M400-L403 HydrophobicContact SD-CD1 4.14Å; M400-K404 WeakPolarHBondContact O-CG 3.46Å; M400-K404 PolarHBondContact O-N 3.07Å; M400-K404 VanDerWaalsContact O-N 3.16Å |
| 401 | S | 73.6 | Confident | 64.7 | Low | 60 Ų | 60 | 123.9 Ų | 123.9 | 42% | 0.42 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.7 | -42.2 | 172.7 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | D398 R399 L403 K404 E405 | D398-S401 WeakPolarHBondContact O-CB 3.14Å; D398-S401 PolarHBondContact O-N 3.02Å; D398-S401 VanDerWaalsContact O-N 3.15Å; D398-S401 PolarHBondContact OD2-N 3.25Å; D398-S401 VanDerWaalsContact OD2-N 3.15Å; R399-S401 VanDerWaalsContact C-N 3.34Å; S401-L403 PolarHBondContact O-N 3.12Å; S401-K404 PolarHBondContact O-N 2.89Å; S401-E405 PolarHBondContact O-N 3.09Å |
| 402 | R | 73.4 | Confident | 66.2 | Low | 171 Ų | 171 | 121 Ų | 121 | 65% | 0.645 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.8 | -35 | 176.3 | -158.9 | 175.9 | -172.4 | -170.4 | 2.1 | 112.5 | D398 R399 E405 L406 | D398-R402 PolarHBondContact O-N 2.91Å; R399-R402 PolarHBondContact O-N 3.19Å; R402-E405 PolarHBondContact O-N 2.98Å; R402-L406 VanDerWaalsContact O-CG 3.29Å; R402-L406 WeakPolarHBondContact O-CG 3.18Å; R402-L406 PolarHBondContact O-N 3.47Å; R402-L406 VanDerWaalsContact O-N 3.14Å |
| 403 | L | 75.1 | Confident | 66.8 | Low | 72 Ų | 72 | 121.8 Ų | 121.8 | 38% | 0.377 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -65.4 | -39.7 | 173.1 | -78.1 | 163.2 | 0 | 0 | 0 | 112.6 | R399 M400 S401 L406 G407 L408 | R399-L403 WeakPolarHBondContact O-CG 3.26Å; R399-L403 PolarHBondContact O-N 2.9Å; M400-L403 HydrophobicContact SD-CD1 4.14Å; S401-L403 PolarHBondContact O-N 3.12Å; L403-L406 CarbonylContact O-C 3.41Å; L403-L406 PolarHBondContact O-N 3.18Å; L403-G407 PolarHBondContact O-N 3.28Å; L403-L408 HydrophobicContact CD2-CB 4.39Å; L403-L408 HydrophobicContact CD2-CD1 4.12Å; L403-L408 PolarHBondContact O-N 3.02Å |
| 404 | K | 75.5 | Confident | 67.4 | Low | 117 Ų | 117 | 121.3 Ų | 121.3 | 51% | 0.509 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -69.3 | -37.4 | 175.3 | -73.1 | 170.5 | -178 | -87.4 | 0 | 112.7 | M400 S401 L406 G407 D409 | M400-K404 WeakPolarHBondContact O-CG 3.46Å; M400-K404 PolarHBondContact O-N 3.07Å; M400-K404 VanDerWaalsContact O-N 3.16Å; S401-K404 PolarHBondContact O-N 2.89Å; K404-L406 PolarHBondContact O-N 3.25Å; K404-G407 PolarHBondContact O-N 3.21Å; K404-D409 WeakPolarHBondContact CE-OD1 3.26Å; K404-D409 IonicContact NZ-OD1 3.46Å; K404-D409 PolarHBondContact NZ-OD1 3.19Å |
| 405 | E | 77.1 | Confident | 67.4 | Low | 127 Ų | 127 | 120 Ų | 120 | 59% | 0.593 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64 | -24.9 | 170.5 | -72 | -173.1 | 149.6 | 0 | 0 | 112.9 | K397 S401 R402 G407 | K397-E405 WeakPolarHBondContact CD-OE2 3.22Å; K397-E405 IonicContact NZ-OE1 2.92Å; K397-E405 PolarHBondContact NZ-OE1 2.74Å; K397-E405 IonicContact NZ-OE2 3.08Å; K397-E405 PolarHBondContact NZ-OE2 3.09Å; S401-E405 PolarHBondContact O-N 3.09Å; R402-E405 PolarHBondContact O-N 2.98Å; E405-G407 VanDerWaalsContact C-N 3.33Å |
| 406 | L | 73.8 | Confident | 67.1 | Low | 123 Ų | 123 | 122.2 Ų | 122.2 | 64% | 0.644 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 9.3 | 172.3 | -66.6 | 169.5 | 0 | 0 | 0 | 113.5 | R402 L403 K404 L408 | R402-L406 VanDerWaalsContact O-CG 3.29Å; R402-L406 WeakPolarHBondContact O-CG 3.18Å; R402-L406 PolarHBondContact O-N 3.47Å; R402-L406 VanDerWaalsContact O-N 3.14Å; L403-L406 CarbonylContact O-C 3.41Å; L403-L406 PolarHBondContact O-N 3.18Å; K404-L406 PolarHBondContact O-N 3.25Å; L406-L408 VanDerWaalsContact C-N 3.3Å; L406-L408 PolarHBondContact O-N 3.03Å |
| 407 | G | 68.7 | Low | 66.5 | Low | 63 Ų | 63 | 116.4 Ų | 116.4 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 76.1 | 7.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L403 K404 E405 D409 | L403-G407 PolarHBondContact O-N 3.28Å; K404-G407 PolarHBondContact O-N 3.21Å; E405-G407 VanDerWaalsContact C-N 3.33Å; G407-D409 PolarHBondContact O-N 3.48Å |
| 408 | L | 70.6 | Confident | 65.3 | Low | 117 Ų | 117 | 117.8 Ų | 117.8 | 61% | 0.613 | 65% | 0.65 | S | S | * | * | trans | -95 | 72.9 | -178 | -61.4 | -179.9 | 0 | 0 | 0 | 111.3 | L403 L406 | L403-L408 HydrophobicContact CD2-CB 4.39Å; L403-L408 HydrophobicContact CD2-CD1 4.12Å; L403-L408 PolarHBondContact O-N 3.02Å; L406-L408 VanDerWaalsContact C-N 3.3Å; L406-L408 PolarHBondContact O-N 3.03Å | ||
| 409 | D | 72.1 | Confident | 63.5 | Low | 105 Ų | 105 | 120.6 Ų | 120.6 | 56% | 0.561 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 132.3 | 169.3 | -148.4 | 37.7 | 0 | 0 | 0 | 110 | K404 G407 | K404-D409 WeakPolarHBondContact CE-OD1 3.26Å; K404-D409 IonicContact NZ-OD1 3.46Å; K404-D409 PolarHBondContact NZ-OD1 3.19Å; G407-D409 PolarHBondContact O-N 3.48Å |
| 410 | P | 66.3 | Low | 62.5 | Low | 88 Ų | 88 | 119 Ų | 119 | 57% | 0.571 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 143.6 | -172.9 | 27.3 | -34.3 | 0 | 0 | 0 | 112 | ||
| 411 | P | 68.3 | Low | 62.1 | Low | 115 Ų | 115 | 116.5 Ų | 116.5 | 75% | 0.747 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 145 | 179.9 | 27 | -34.8 | 0 | 0 | 0 | 111.3 | ||
| 412 | P | 64.8 | Low | 61.2 | Low | 118 Ų | 118 | 118.3 Ų | 118.3 | 77% | 0.766 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -63 | 138.8 | -179.2 | 26.2 | -34.4 | 0 | 0 | 0 | 110.8 | A414 | P412-A414 PolarHBondContact O-N 2.79Š|
| 413 | P | 54.7 | Low | 60.1 | Low | 117 Ų | 117 | 119.4 Ų | 119.4 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 129.9 | -174.7 | 24.7 | -34.1 | 0 | 0 | 0 | 111.5 | K415 | P413-K415 PolarHBondContact O-N 2.86Å; P413-K415 VanDerWaalsContact O-N 3.16Å |
| 414 | A | 49.5 | Very low | 58.9 | Low | 95 Ų | 95 | 121.8 Ų | 121.8 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | -62.6 | 114.6 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | P412 L416 | P412-A414 PolarHBondContact O-N 2.79Å; A414-L416 PolarHBondContact O-N 3.33Å | ||
| 415 | K | 48.7 | Very low | 57.8 | Low | 194 Ų | 194 | 123.7 Ų | 123.7 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | trans | -81.6 | 105.2 | 173.7 | -66 | 179.3 | -177.8 | 176.5 | 0 | 108.9 | P413 S417 | P413-K415 PolarHBondContact O-N 2.86Å; P413-K415 VanDerWaalsContact O-N 3.16Å; K415-S417 VanDerWaalsContact C-N 3.29Å; K415-S417 PolarHBondContact O-N 3.07Å | ||
| 416 | L | 47.6 | Very low | 56.6 | Low | 168 Ų | 168 | 124.5 Ų | 124.5 | 88% | 0.88 | 74% | 0.737 | S | S | * | * | trans | -71.8 | 86.3 | 168 | -65.4 | 178.2 | 0 | 0 | 0 | 109.7 | A414 | A414-L416 PolarHBondContact O-N 3.33Š| ||
| 417 | S | 45.7 | Very low | 55.8 | Low | 90 Ų | 90 | 124.5 Ų | 124.5 | 63% | 0.629 | 74% | 0.738 | S | S | * | * | trans | -70.9 | 131.2 | 159.5 | 47.5 | 0 | 0 | 0 | 0 | 109.2 | K415 D419 | K415-S417 VanDerWaalsContact C-N 3.29Å; K415-S417 PolarHBondContact O-N 3.07Å; S417-D419 PolarHBondContact O-N 2.79Å; S417-D419 VanDerWaalsContact O-N 3.09Å | ||
| 418 | P | 46.6 | Very low | 55.3 | Low | 139 Ų | 139 | 129 Ų | 129 | 90% | 0.903 | 75% | 0.746 | S | S | * | * | trans | -64.9 | 108.7 | 163.4 | -13.9 | 28.9 | 0 | 0 | 0 | 108.1 | ||||
| 419 | D | 38.7 | Very low | 54.8 | Low | 150 Ų | 150 | 128.7 Ų | 128.7 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | trans | -108.4 | 162.5 | 172.9 | -157.2 | 1.9 | 0 | 0 | 0 | 109.8 | S417 | S417-D419 PolarHBondContact O-N 2.79Å; S417-D419 VanDerWaalsContact O-N 3.09Å | ||
| 420 | D | 54 | Low | 54.4 | Low | 162 Ų | 162 | 131 Ų | 131 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -71.5 | 145.2 | -146.4 | -138.2 | -18.7 | 0 | 0 | 0 | 116.2 | ||
| 421 | G | 59.3 | Low | 54.1 | Low | 56 Ų | 56 | 132 Ų | 132 | 58% | 0.577 | 77% | 0.766 | S | S | * | * | trans | 116.3 | -18.3 | 154.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 422 | A | 54.1 | Low | 54.6 | Low | 97 Ų | 97 | 131.1 Ų | 131.1 | 80% | 0.802 | 76% | 0.755 | S | S | * | * | trans | -98.6 | 92.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V424 | A422-V424 PolarHBondContact O-N 3.44Å; A422-V424 VanDerWaalsContact O-N 3.08Å | ||
| 423 | F | 50.1 | Low | 55.5 | Low | 195 Ų | 195 | 130.1 Ų | 130.1 | 86% | 0.855 | 75% | 0.749 | S | S | * | * | trans | -70.9 | 100.3 | -179.2 | -73.8 | -95.9 | 0 | 0 | 0 | 113.4 | ||||
| 424 | V | 51.6 | Low | 57 | Low | 122 Ų | 122 | 127.1 Ų | 127.1 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | trans | -113.5 | 84.8 | 155 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | A422 L426 | A422-V424 PolarHBondContact O-N 3.44Å; A422-V424 VanDerWaalsContact O-N 3.08Å; V424-L426 VanDerWaalsContact C-N 3.27Å; V424-L426 HydrophobicContact CG1-CD1 4.08Å; V424-L426 HydrophobicContact CG1-CG 3.97Å; V424-L426 PolarHBondContact O-N 3.36Å | ||
| 425 | Q | 51.8 | Low | 58.7 | Low | 156 Ų | 156 | 127.1 Ų | 127.1 | 73% | 0.729 | 73% | 0.729 | S | S | * | * | trans | -78.1 | 82.9 | 169.7 | -174.3 | 172.7 | -23.2 | 0 | 0 | 109.3 | D427 | Q425-D427 PolarHBondContact NE2-OD1 2.97Š| ||
| 426 | L | 52.3 | Low | 60.5 | Low | 144 Ų | 144 | 120.4 Ų | 120.4 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | trans | -83 | 113.6 | 152.8 | -72.2 | 168.5 | 0 | 0 | 0 | 106.6 | V424 L428 | V424-L426 VanDerWaalsContact C-N 3.27Å; V424-L426 HydrophobicContact CG1-CD1 4.08Å; V424-L426 HydrophobicContact CG1-CG 3.97Å; V424-L426 PolarHBondContact O-N 3.36Å; L426-L428 PolarHBondContact O-N 3.16Å | ||
| 427 | D | 55.5 | Low | 62.5 | Low | 124 Ų | 124 | 114.3 Ų | 114.3 | 66% | 0.663 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 133.1 | -180 | -70.3 | -41 | 0 | 0 | 0 | 110.3 | Q425 | Q425-D427 PolarHBondContact NE2-OD1 2.97Š|
| 428 | L | 59.2 | Low | 64.6 | Low | 158 Ų | 158 | 115.3 Ų | 115.3 | 83% | 0.827 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 124 | -178.6 | -80.1 | 68.3 | 0 | 0 | 0 | 108.9 | L426 H430 | L426-L428 PolarHBondContact O-N 3.16Å; L428-H430 PolarHBondContact O-N 3.33Å |
| 429 | P | 60.9 | Low | 66.6 | Low | 109 Ų | 109 | 115.6 Ų | 115.6 | 71% | 0.708 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -59 | 119.7 | 178.4 | 23.3 | -32.2 | 0 | 0 | 0 | 108.2 | C431 | P429-C431 PolarHBondContact O-N 2.95Å; P429-C431 PolarHBondContact O-SG 3.08Å |
| 430 | H | 62.1 | Low | 68.9 | Low | 155 Ų | 155 | 113 Ų | 113 | 72% | 0.718 | 65% | 0.651 | S | S | * | * | trans | -60 | 100 | -168.9 | -172.9 | 86.1 | 0 | 0 | 0 | 109.9 | L428 N432 | L428-H430 PolarHBondContact O-N 3.33Å; H430-N432 VanDerWaalsContact C-N 3.3Å; H430-N432 PolarHBondContact O-N 3.01Å | ||
| 431 | C | 61.3 | Low | 70.4 | Confident | 108 Ų | 108 | 112.6 Ų | 112.6 | 73% | 0.73 | 64% | 0.637 | S | S | * | * | trans | -71 | 87.6 | -172.1 | -76 | 0 | 0 | 0 | 0 | 109.7 | P429 P433 | P429-C431 PolarHBondContact O-N 2.95Å; P429-C431 PolarHBondContact O-SG 3.08Å; C431-P433 VanDerWaalsContact O-N 3.13Å | ||
| 432 | N | 78.1 | Confident | 71.9 | Confident | 96 Ų | 96 | 117.3 Ų | 117.3 | 51% | 0.513 | 64% | 0.639 | S | S | . | * | trans | -45.4 | 119.4 | -179.2 | -74.3 | -64.7 | 0 | 0 | 0 | 110.2 | H430 G434 V435 A436 | H430-N432 VanDerWaalsContact C-N 3.3Å; H430-N432 PolarHBondContact O-N 3.01Å; N432-G434 PolarHBondContact O-N 3.16Å; N432-G434 VanDerWaalsContact O-N 3.08Å; N432-V435 HydrophobicContact CB-CB 4.37Å; N432-V435 HydrophobicContact CB-CG2 3.97Å; N432-V435 WeakPolarHBondContact O-CA 3.1Å; N432-V435 WeakPolarHBondContact O-CB 3.17Å; N432-V435 PolarHBondContact O-N 3.46Å; N432-A436 PolarHBondContact O-N 2.63Å; N432-A436 VanDerWaalsContact O-N 3.14Å | ||
| 433 | P | 83.1 | Confident | 73.4 | Confident | 98 Ų | 98 | 116.1 Ų | 116.1 | 64% | 0.636 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.8 | -25.2 | -171.4 | 21.6 | -32.3 | 0 | 0 | 0 | 112.6 | C431 A436 A437 | C431-P433 VanDerWaalsContact O-N 3.13Å; P433-A436 PolarHBondContact O-N 3.31Å; P433-A437 VanDerWaalsContact O-CB 3.23Å; P433-A437 WeakPolarHBondContact O-CB 3.4Å; P433-A437 PolarHBondContact O-N 2.92Å |
| 434 | G | 86.9 | Confident | 74.9 | Confident | 54 Ų | 54 | 115.4 Ų | 115.4 | 56% | 0.557 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64 | -36.9 | 170 | 0 | 0 | 0 | 0 | 0 | 114 | N432 L438 | N432-G434 PolarHBondContact O-N 3.16Å; N432-G434 VanDerWaalsContact O-N 3.08Å; G434-L438 VanDerWaalsContact O-CB 3.23Å; G434-L438 WeakPolarHBondContact O-CB 3.23Å; G434-L438 PolarHBondContact O-N 2.71Å |
| 435 | V | 84.7 | Confident | 75.9 | Confident | 95 Ų | 95 | 116.8 Ų | 116.8 | 58% | 0.576 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74.2 | -39.2 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | N432 L438 K439 | N432-V435 HydrophobicContact CB-CB 4.37Å; N432-V435 HydrophobicContact CB-CG2 3.97Å; N432-V435 WeakPolarHBondContact O-CA 3.1Å; N432-V435 WeakPolarHBondContact O-CB 3.17Å; N432-V435 PolarHBondContact O-N 3.46Å; V435-L438 PolarHBondContact O-N 2.78Å; V435-K439 WeakPolarHBondContact O-CB 3.16Å; V435-K439 PolarHBondContact O-N 3.49Å |
| 436 | A | 86.9 | Confident | 77.2 | Confident | 53 Ų | 53 | 113.7 Ų | 113.7 | 44% | 0.438 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.3 | -48.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N432 P433 L438 K439 E440 | N432-A436 PolarHBondContact O-N 2.63Å; N432-A436 VanDerWaalsContact O-N 3.14Å; P433-A436 PolarHBondContact O-N 3.31Å; A436-L438 VanDerWaalsContact C-N 3.31Å; A436-L438 PolarHBondContact O-N 3.45Å; A436-K439 PolarHBondContact O-N 2.77Å; A436-E440 WeakPolarHBondContact O-CB 3.46Å; A436-E440 PolarHBondContact O-N 3.04Å |
| 437 | A | 89.6 | Confident | 78.2 | Confident | 39 Ų | 39 | 113.2 Ų | 113.2 | 32% | 0.322 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.8 | -27.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P433 R441 | P433-A437 VanDerWaalsContact O-CB 3.23Å; P433-A437 WeakPolarHBondContact O-CB 3.4Å; P433-A437 PolarHBondContact O-N 2.92Å; A437-R441 WeakPolarHBondContact O-CB 3.42Å; A437-R441 PolarHBondContact O-N 2.98Å |
| 438 | L | 89.6 | Confident | 78.5 | Confident | 112 Ų | 112 | 111.1 Ų | 111.1 | 59% | 0.586 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.6 | -46.1 | 171.3 | -178.8 | 61.8 | 0 | 0 | 0 | 110.9 | G434 V435 A436 E440 R441 Y442 | G434-L438 VanDerWaalsContact O-CB 3.23Å; G434-L438 WeakPolarHBondContact O-CB 3.23Å; G434-L438 PolarHBondContact O-N 2.71Å; V435-L438 PolarHBondContact O-N 2.78Å; A436-L438 VanDerWaalsContact C-N 3.31Å; A436-L438 PolarHBondContact O-N 3.45Å; L438-E440 VanDerWaalsContact C-N 3.35Å; L438-E440 PolarHBondContact O-N 2.92Å; L438-R441 PolarHBondContact O-N 2.78Å; L438-Y442 VanDerWaalsContact O-CB 3.31Å; L438-Y442 WeakPolarHBondContact O-CB 3.46Å; L438-Y442 PolarHBondContact O-N 2.77Å |
| 439 | K | 87.9 | Confident | 78.6 | Confident | 145 Ų | 145 | 109.1 Ų | 109.1 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.4 | -43.2 | 175.2 | -177.2 | 176.4 | 179.9 | 177.2 | 0 | 111.6 | V435 A436 L443 | V435-K439 WeakPolarHBondContact O-CB 3.16Å; V435-K439 PolarHBondContact O-N 3.49Å; A436-K439 PolarHBondContact O-N 2.77Å; K439-L443 HydrophobicContact CG-CD1 4.15Å; K439-L443 WeakPolarHBondContact O-CB 3.26Å; K439-L443 VanDerWaalsContact O-CG 3.3Å; K439-L443 WeakPolarHBondContact O-CG 3.25Å; K439-L443 PolarHBondContact O-N 2.91Å |
| 440 | E | 87.9 | Confident | 78.4 | Confident | 96 Ų | 96 | 110.7 Ų | 110.7 | 45% | 0.449 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.1 | -46.5 | 175.6 | -165.5 | -162.8 | 159.3 | 0 | 0 | 111.6 | A436 L438 Y442 L443 R444 | A436-E440 WeakPolarHBondContact O-CB 3.46Å; A436-E440 PolarHBondContact O-N 3.04Å; L438-E440 VanDerWaalsContact C-N 3.35Å; L438-E440 PolarHBondContact O-N 2.92Å; E440-Y442 PolarHBondContact O-N 3.22Å; E440-L443 PolarHBondContact O-N 3.38Å; E440-R444 WeakPolarHBondContact O-CG 3.49Å; E440-R444 PolarHBondContact O-N 3.4Å; E440-R444 IonicContact OE1-CZ 3.25Å; E440-R444 VanDerWaalsContact OE1-CZ 3.24Å; E440-R444 IonicContact OE1-NE 2.72Å; E440-R444 PolarHBondContact OE1-NE 3.12Å; E440-R444 IonicContact OE1-NH2 2.92Å; E440-R444 PolarHBondContact OE1-NH2 2.95Å |
| 441 | R | 84.9 | Confident | 78.3 | Confident | 152 Ų | 152 | 113.8 Ų | 113.8 | 57% | 0.574 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64 | -41.2 | 178.5 | -164.9 | -173.3 | -45 | -158.5 | 3.9 | 112 | A437 L438 R444 H445 | A437-R441 WeakPolarHBondContact O-CB 3.42Å; A437-R441 PolarHBondContact O-N 2.98Å; L438-R441 PolarHBondContact O-N 2.78Å; R441-R444 PolarHBondContact O-N 2.68Å; R441-H445 PolarHBondContact O-CD2 3.2Å; R441-H445 PolarHBondContact O-N 3.15Å |
| 442 | Y | 90.8 | Very high | 78.3 | Confident | 155 Ų | 155 | 113.5 Ų | 113.5 | 61% | 0.608 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.3 | -47.7 | 173.4 | 180 | -99.5 | 0 | 0 | 0 | 111.3 | L438 E440 R444 H445 V446 | L438-Y442 VanDerWaalsContact O-CB 3.31Å; L438-Y442 WeakPolarHBondContact O-CB 3.46Å; L438-Y442 PolarHBondContact O-N 2.77Å; E440-Y442 PolarHBondContact O-N 3.22Å; Y442-R444 VanDerWaalsContact C-N 3.33Å; Y442-R444 PolarHBondContact O-N 2.77Å; Y442-H445 PolarHBondContact O-N 3.01Å; Y442-V446 HydrophobicContact CD1-CG2 4.18Å; Y442-V446 HydrophobicContact CD2-CG2 4.3Å; Y442-V446 HydrophobicContact CE1-CG2 3.79Å; Y442-V446 HydrophobicContact CE2-CG2 3.91Å; Y442-V446 HydrophobicContact CG-CG2 4.42Å; Y442-V446 WeakPolarHBondContact O-CG2 3.44Å; Y442-V446 PolarHBondContact O-N 2.74Å |
| 443 | L | 86.5 | Confident | 77.3 | Confident | 73 Ų | 73 | 112.9 Ų | 112.9 | 38% | 0.382 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -59.4 | -40.8 | 174.7 | -74.7 | 165.5 | 0 | 0 | 0 | 112.3 | K439 E440 H445 V446 Q447 | K439-L443 HydrophobicContact CG-CD1 4.15Å; K439-L443 WeakPolarHBondContact O-CB 3.26Å; K439-L443 VanDerWaalsContact O-CG 3.3Å; K439-L443 WeakPolarHBondContact O-CG 3.25Å; K439-L443 PolarHBondContact O-N 2.91Å; E440-L443 PolarHBondContact O-N 3.38Å; L443-H445 VanDerWaalsContact C-N 3.26Å; L443-H445 PolarHBondContact O-N 3.49Å; L443-V446 PolarHBondContact O-N 3.37Å; L443-Q447 VanDerWaalsContact O-CB 3.28Å; L443-Q447 WeakPolarHBondContact O-CB 3.42Å; L443-Q447 WeakPolarHBondContact O-CG 3.3Å; L443-Q447 PolarHBondContact O-N 2.9Å |
| 444 | R | 80.9 | Confident | 76.2 | Confident | 179 Ų | 179 | 112.3 Ų | 112.3 | 68% | 0.675 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.2 | -18.5 | 173.8 | -69.4 | 179.9 | -174 | -148.6 | 9.6 | 114.4 | E440 R441 Y442 | E440-R444 WeakPolarHBondContact O-CG 3.49Å; E440-R444 PolarHBondContact O-N 3.4Å; E440-R444 IonicContact OE1-CZ 3.25Å; E440-R444 VanDerWaalsContact OE1-CZ 3.24Å; E440-R444 IonicContact OE1-NE 2.72Å; E440-R444 PolarHBondContact OE1-NE 3.12Å; E440-R444 IonicContact OE1-NH2 2.92Å; E440-R444 PolarHBondContact OE1-NH2 2.95Å; R441-R444 PolarHBondContact O-N 2.68Å; Y442-R444 VanDerWaalsContact C-N 3.33Å; Y442-R444 PolarHBondContact O-N 2.77Å |
| 445 | H | 73.6 | Confident | 75.4 | Confident | 151 Ų | 151 | 114.3 Ų | 114.3 | 70% | 0.699 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -93.9 | -31.4 | 174.6 | -75.6 | -61.2 | 0 | 0 | 0 | 112.9 | R441 Y442 L443 | R441-H445 PolarHBondContact O-CD2 3.2Å; R441-H445 PolarHBondContact O-N 3.15Å; Y442-H445 PolarHBondContact O-N 3.01Å; L443-H445 VanDerWaalsContact C-N 3.26Å; L443-H445 PolarHBondContact O-N 3.49Å |
| 446 | V | 79.4 | Confident | 74.8 | Confident | 91 Ų | 91 | 116.6 Ų | 116.6 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -82.1 | -36.9 | 177.7 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | Y442 L443 A448 | Y442-V446 HydrophobicContact CD1-CG2 4.18Å; Y442-V446 HydrophobicContact CD2-CG2 4.3Å; Y442-V446 HydrophobicContact CE1-CG2 3.79Å; Y442-V446 HydrophobicContact CE2-CG2 3.91Å; Y442-V446 HydrophobicContact CG-CG2 4.42Å; Y442-V446 WeakPolarHBondContact O-CG2 3.44Å; Y442-V446 PolarHBondContact O-N 2.74Å; L443-V446 PolarHBondContact O-N 3.37Å; V446-A448 PolarHBondContact O-N 3.34Å; V446-A448 VanDerWaalsContact O-N 3.17Å |
| 447 | Q | 73 | Confident | 74.1 | Confident | 135 Ų | 135 | 118.7 Ų | 118.7 | 63% | 0.631 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -82 | 93.5 | 173.6 | -63.3 | -178.7 | 5.8 | 0 | 0 | 109.6 | L443 | L443-Q447 VanDerWaalsContact O-CB 3.28Å; L443-Q447 WeakPolarHBondContact O-CB 3.42Å; L443-Q447 WeakPolarHBondContact O-CG 3.3Å; L443-Q447 PolarHBondContact O-N 2.9Å |
| 448 | A | 62.2 | Low | 73.9 | Confident | 79 Ų | 79 | 119.8 Ų | 119.8 | 65% | 0.653 | 60% | 0.599 | S | S | * | * | trans | -54.8 | 129.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | V446 V450 | V446-A448 PolarHBondContact O-N 3.34Å; V446-A448 VanDerWaalsContact O-N 3.17Å; A448-V450 PolarHBondContact O-N 3.08Å | ||
| 449 | P | 59.3 | Low | 73.4 | Confident | 117 Ų | 117 | 120.9 Ų | 120.9 | 76% | 0.76 | 60% | 0.601 | S | S | * | * | trans | -68.3 | 106.2 | -175.8 | 26.1 | -33.5 | 0 | 0 | 0 | 110.1 | R451 | P449-R451 PolarHBondContact O-N 3.38Š| ||
| 450 | V | 57.3 | Low | 73.3 | Confident | 142 Ų | 142 | 118.1 Ų | 118.1 | 86% | 0.861 | 59% | 0.592 | S | S | * | * | trans | -56.6 | 111.2 | 173.8 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | A448 | A448-V450 PolarHBondContact O-N 3.08Š| ||
| 451 | R | 60.7 | Low | 73.1 | Confident | 219 Ų | 219 | 118 Ų | 118 | 83% | 0.826 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 135.2 | 173.5 | -63.9 | -178.4 | -179 | 177.9 | 1.3 | 107.7 | P449 | P449-R451 PolarHBondContact O-N 3.38Š|
| 452 | P | 60.3 | Low | 73.2 | Confident | 103 Ų | 103 | 114.4 Ų | 114.4 | 67% | 0.669 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 144.8 | 169.8 | 27.5 | -33.9 | 0 | 0 | 0 | 109.1 | V454 | P452-V454 PolarHBondContact O-N 2.78Š|
| 453 | P | 57.4 | Low | 73 | Confident | 83 Ų | 83 | 112.5 Ų | 112.5 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 125.3 | 179.6 | 24.5 | -33.8 | 0 | 0 | 0 | 109.6 | E455 | P453-E455 PolarHBondContact O-N 2.76Å; P453-E455 VanDerWaalsContact O-N 3.11Å |
| 454 | V | 60.8 | Low | 72.8 | Confident | 85 Ų | 85 | 116.2 Ų | 116.2 | 52% | 0.515 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87.3 | 84.6 | -177.7 | -176.5 | 0 | 0 | 0 | 0 | 107.4 | P452 R456 | P452-V454 PolarHBondContact O-N 2.78Å; V454-R456 HydrophobicContact CG1-CG 4.07Å; V454-R456 WeakPolarHBondContact O-CG 3.4Å; V454-R456 PolarHBondContact O-N 3.18Å |
| 455 | E | 69.4 | Low | 73 | Confident | 96 Ų | 96 | 113.4 Ų | 113.4 | 45% | 0.449 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.1 | 103.5 | 176 | -59.8 | -164.1 | 159.6 | 0 | 0 | 109.8 | P453 T457 K485 | P453-E455 PolarHBondContact O-N 2.76Å; P453-E455 VanDerWaalsContact O-N 3.11Å; E455-T457 PolarHBondContact O-N 3.35Å; E455-K485 HydrophobicContact CG-CG 4.3Å; E455-K485 WeakPolarHBondContact OE1-CD 3.18Å; E455-K485 VanDerWaalsContact OE1-CE 3.25Å; E455-K485 WeakPolarHBondContact OE1-CE 3.32Å; E455-K485 IonicContact OE1-NZ 2.78Å; E455-K485 PolarHBondContact OE1-NZ 3.09Å; E455-K485 IonicContact OE2-NZ 3.95Å |
| 456 | R | 72.9 | Confident | 73.3 | Confident | 144 Ų | 144 | 108.2 Ų | 108.2 | 54% | 0.543 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 97.3 | -178.5 | -61.1 | -173.6 | 70.4 | 85 | -0.4 | 109.2 | V454 V458 V484 E486 | V454-R456 HydrophobicContact CG1-CG 4.07Å; V454-R456 WeakPolarHBondContact O-CG 3.4Å; V454-R456 PolarHBondContact O-N 3.18Å; R456-V458 PolarHBondContact O-N 2.97Å; R456-V484 HydrophobicContact CB-CB 4.48Å; R456-V484 PolarHBondContact N-O 2.95Å; R456-V484 PolarHBondContact O-N 3.34Å; R456-E486 VanDerWaalsContact CD-OE2 3.27Å; R456-E486 WeakPolarHBondContact CD-OE2 3.48Å |
| 457 | T | 71.9 | Confident | 73.3 | Confident | 97 Ų | 97 | 108 Ų | 108 | 60% | 0.595 | 57% | 0.574 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 111.7 | 173.5 | 63.9 | 0 | 0 | 0 | 0 | 110.1 | E455 T483 | E455-T457 PolarHBondContact O-N 3.35Å; T457-T483 HydrophobicContact CG2-CG2 3.91Å |
| 458 | V | 84.4 | Confident | 73.3 | Confident | 62 Ų | 62 | 102.7 Ų | 102.7 | 38% | 0.376 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.8 | 179.6 | -176.1 | 0 | 0 | 0 | 0 | 109 | R456 L460 V482 | R456-V458 PolarHBondContact O-N 2.97Å; V458-L460 HydrophobicContact CG1-CD2 3.73Å; V458-L460 HydrophobicContact CG1-CG 4.32Å; V458-V482 PolarHBondContact N-O 3.42Å; V458-V482 PolarHBondContact O-N 2.61Å |
| 459 | Q | 80.4 | Confident | 73.6 | Confident | 134 Ų | 134 | 106 Ų | 106 | 63% | 0.626 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 111.6 | 169.1 | -61.6 | -161.7 | 19.1 | 0 | 0 | 109.2 | T481 | Q459-T481 HydrophobicContact CG-CG2 4.27Å |
| 460 | L | 84.9 | Confident | 74.2 | Confident | 87 Ų | 87 | 104.9 Ų | 104.9 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.1 | 118.2 | 174.5 | -59.7 | 179 | 0 | 0 | 0 | 108.5 | V458 V462 S479 V480 V482 | V458-L460 HydrophobicContact CG1-CD2 3.73Å; V458-L460 HydrophobicContact CG1-CG 4.32Å; L460-V462 PolarHBondContact O-N 3.44Å; L460-S479 CarbonylContact O-C 3.57Å; L460-S479 WeakPolarHBondContact O-CA 3.29Å; L460-V480 PolarHBondContact N-O 3.18Å; L460-V480 PolarHBondContact O-N 2.78Å; L460-V482 HydrophobicContact CD1-CB 4.47Å; L460-V482 HydrophobicContact CD1-CG2 3.73Å; L460-V482 HydrophobicContact CG-CG2 4.33Å |
| 461 | T | 83.3 | Confident | 75.1 | Confident | 93 Ų | 93 | 101.2 Ų | 101.2 | 57% | 0.571 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.7 | 100.5 | 174.8 | -55.8 | 0 | 0 | 0 | 0 | 109 | ||
| 462 | V | 87.2 | Confident | 75.6 | Confident | 77 Ų | 77 | 97.9 Ų | 97.9 | 47% | 0.467 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 121.7 | 175.7 | -177.4 | 0 | 0 | 0 | 0 | 108.1 | L460 S477 E478 V480 | L460-V462 PolarHBondContact O-N 3.44Å; V462-S477 CarbonylContact O-C 3.55Å; V462-S477 WeakPolarHBondContact O-CA 3.48Å; V462-E478 PolarHBondContact N-O 2.97Å; V462-E478 PolarHBondContact O-N 3.14Å; V462-V480 HydrophobicContact CG2-CG2 4.35Å |
| 463 | I | 86.6 | Confident | 76.6 | Confident | 115 Ų | 115 | 98.7 Ų | 98.7 | 59% | 0.59 | 54% | 0.542 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 106.1 | 174.6 | -57 | 178.6 | 0 | 0 | 0 | 108.2 | L475 R476 | I463-L475 HydrophobicContact CG2-CB 3.96Å; I463-L475 HydrophobicContact CG2-CD2 4.15Å; I463-L475 HydrophobicContact CG2-CG 4.47Å; I463-R476 WeakPolarHBondContact CA-O 3.44Å |
| 464 | R | 82.8 | Confident | 77.7 | Confident | 152 Ų | 152 | 99.2 Ų | 99.2 | 57% | 0.574 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 139.6 | 176.5 | -178.7 | 173.8 | 166.4 | 137 | 5.4 | 109.8 | D466 R476 | R464-D466 IonicContact CZ-OD1 3.33Å; R464-D466 IonicContact NE-OD1 2.71Å; R464-D466 PolarHBondContact NE-OD1 3.36Å; R464-D466 IonicContact NE-OD2 2.57Å; R464-D466 IonicContact NH2-OD1 2.74Å; R464-D466 PolarHBondContact NH2-OD1 2.8Å; R464-R476 PolarHBondContact N-O 2.81Å; R464-R476 PolarHBondContact O-N 3.18Å |
| 465 | K | 84.9 | Confident | 78.9 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 52% | 0.522 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 103.3 | 175 | -168.3 | -168.8 | -164 | -153.7 | 0 | 108.5 | E473 L475 | K465-E473 VanDerWaalsContact CE-OE1 3.29Å; K465-E473 WeakPolarHBondContact CE-OE1 3.48Å; K465-E473 WeakPolarHBondContact CE-OE2 3.4Å; K465-E473 HydrophobicContact CG-CB 4.43Å; K465-E473 IonicContact NZ-OE1 2.61Å; K465-E473 PolarHBondContact NZ-OE1 2.92Å; K465-E473 IonicContact NZ-OE2 3.46Å; K465-E473 PolarHBondContact NZ-OE2 3.16Å; K465-L475 HydrophobicContact CB-CD2 3.88Å; K465-L475 HydrophobicContact CG-CD2 3.9Å |
| 466 | D | 79.9 | Confident | 79.3 | Confident | 42 Ų | 42 | 102.8 Ų | 102.8 | 23% | 0.225 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.5 | 179.2 | -76.5 | -37.1 | 0 | 0 | 0 | 110.5 | R464 A468 E474 | R464-D466 IonicContact CZ-OD1 3.33Å; R464-D466 IonicContact NE-OD1 2.71Å; R464-D466 PolarHBondContact NE-OD1 3.36Å; R464-D466 IonicContact NE-OD2 2.57Å; R464-D466 IonicContact NH2-OD1 2.74Å; R464-D466 PolarHBondContact NH2-OD1 2.8Å; D466-A468 PolarHBondContact O-N 2.87Å; D466-E474 PolarHBondContact N-O 2.76Å; D466-E474 PolarHBondContact O-N 2.85Å |
| 467 | S | 80.5 | Confident | 79.7 | Confident | 86 Ų | 86 | 100.1 Ų | 100.1 | 60% | 0.601 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 116.8 | 170.6 | -62.9 | 0 | 0 | 0 | 0 | 110 | ||
| 468 | A | 71.8 | Confident | 80.2 | Confident | 24 Ų | 24 | 101.8 Ų | 101.8 | 20% | 0.198 | 55% | 0.55 | C | S | . | * | trans | -63 | 153.2 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | D466 S470 G471 Q472 | D466-A468 PolarHBondContact O-N 2.87Å; A468-S470 PolarHBondContact O-N 2.96Å; A468-G471 PolarHBondContact O-N 3.39Å; A468-Q472 WeakPolarHBondContact CB-O 3.4Å; A468-Q472 PolarHBondContact N-O 3.41Å | ||
| 469 | P | 68.4 | Low | 79.9 | Confident | 149 Ų | 149 | 102.3 Ų | 102.3 | 97% | 0.968 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -2.7 | 178.2 | 27 | -35.9 | 0 | 0 | 0 | 114.3 | ||
| 470 | S | 71.8 | Confident | 80.2 | Confident | 93 Ų | 93 | 99 Ų | 99 | 65% | 0.65 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 0.7 | 168.6 | 53.5 | 0 | 0 | 0 | 0 | 114.2 | A468 Q472 | A468-S470 PolarHBondContact O-N 2.96Å; S470-Q472 VanDerWaalsContact C-N 3.28Å; S470-Q472 PolarHBondContact O-N 2.84Å |
| 471 | G | 76.4 | Confident | 79.9 | Confident | 64 Ų | 64 | 98.4 Ų | 98.4 | 66% | 0.66 | 55% | 0.546 | S | S | * | . | S | Bend | trans | 75.4 | 11.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A468 | A468-G471 PolarHBondContact O-N 3.39Š|
| 472 | Q | 70.6 | Confident | 79.7 | Confident | 149 Ų | 149 | 96.9 Ų | 96.9 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | trans | -96 | 134.5 | 170.8 | -69.4 | -162.4 | -25.7 | 0 | 0 | 110.9 | A468 S470 | A468-Q472 WeakPolarHBondContact CB-O 3.4Å; A468-Q472 PolarHBondContact N-O 3.41Å; S470-Q472 VanDerWaalsContact C-N 3.28Å; S470-Q472 PolarHBondContact O-N 2.84Å | ||
| 473 | E | 82.4 | Confident | 79.3 | Confident | 120 Ų | 120 | 97 Ų | 97 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 117.3 | -179.4 | -50.3 | -175.8 | 114.3 | 0 | 0 | 109.9 | K465 | K465-E473 VanDerWaalsContact CE-OE1 3.29Å; K465-E473 WeakPolarHBondContact CE-OE1 3.48Å; K465-E473 WeakPolarHBondContact CE-OE2 3.4Å; K465-E473 HydrophobicContact CG-CB 4.43Å; K465-E473 IonicContact NZ-OE1 2.61Å; K465-E473 PolarHBondContact NZ-OE1 2.92Å; K465-E473 IonicContact NZ-OE2 3.46Å; K465-E473 PolarHBondContact NZ-OE2 3.16Å |
| 474 | E | 80.6 | Confident | 78.7 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.3 | -179.7 | -172 | 175.2 | -125.8 | 0 | 0 | 110.1 | D466 R476 | D466-E474 PolarHBondContact N-O 2.76Å; D466-E474 PolarHBondContact O-N 2.85Å; E474-R476 HydrophobicContact CG-CG 4.28Å; E474-R476 IonicContact OE2-CZ 2.96Å; E474-R476 IonicContact OE2-NE 3.18Å; E474-R476 PolarHBondContact OE2-NE 3.29Å; E474-R476 IonicContact OE2-NH2 3.33Å; E474-R476 PolarHBondContact OE2-NH2 3.31Å |
| 475 | L | 84.8 | Confident | 78.1 | Confident | 124 Ų | 124 | 93.5 Ų | 93.5 | 65% | 0.649 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 112.2 | 174 | -66.4 | 177.4 | 0 | 0 | 0 | 109.5 | I463 K465 | I463-L475 HydrophobicContact CG2-CB 3.96Å; I463-L475 HydrophobicContact CG2-CD2 4.15Å; I463-L475 HydrophobicContact CG2-CG 4.47Å; K465-L475 HydrophobicContact CB-CD2 3.88Å; K465-L475 HydrophobicContact CG-CD2 3.9Å |
| 476 | R | 79.4 | Confident | 76.9 | Confident | 132 Ų | 132 | 93.6 Ų | 93.6 | 50% | 0.498 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.6 | -179.7 | -67.2 | -175.2 | 172.3 | 179.9 | -1 | 110.4 | I463 R464 E474 | I463-R476 WeakPolarHBondContact CA-O 3.44Å; R464-R476 PolarHBondContact N-O 2.81Å; R464-R476 PolarHBondContact O-N 3.18Å; E474-R476 HydrophobicContact CG-CG 4.28Å; E474-R476 IonicContact OE2-CZ 2.96Å; E474-R476 IonicContact OE2-NE 3.18Å; E474-R476 PolarHBondContact OE2-NE 3.29Å; E474-R476 IonicContact OE2-NH2 3.33Å; E474-R476 PolarHBondContact OE2-NH2 3.31Å |
| 477 | S | 80.7 | Confident | 75.7 | Confident | 88 Ų | 88 | 94.7 Ų | 94.7 | 62% | 0.615 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.5 | 112.4 | 177.1 | 56.8 | 0 | 0 | 0 | 0 | 110.8 | V462 | V462-S477 CarbonylContact O-C 3.55Å; V462-S477 WeakPolarHBondContact O-CA 3.48Å |
| 478 | E | 82.1 | Confident | 74.1 | Confident | 131 Ų | 131 | 94.2 Ų | 94.2 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -103.4 | 126.7 | 173.2 | -174.4 | 168.5 | -165.4 | 0 | 0 | 110.3 | V462 | V462-E478 PolarHBondContact N-O 2.97Å; V462-E478 PolarHBondContact O-N 3.14Å |
| 479 | S | 78.9 | Confident | 73.2 | Confident | 73 Ų | 73 | 101 Ų | 101 | 51% | 0.51 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.9 | 93.9 | -176.5 | 58.1 | 0 | 0 | 0 | 0 | 111.6 | L460 | L460-S479 CarbonylContact O-C 3.57Å; L460-S479 WeakPolarHBondContact O-CA 3.29Å |
| 480 | V | 85.3 | Confident | 72.6 | Confident | 65 Ų | 65 | 101 Ų | 101 | 39% | 0.394 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -84.4 | 120.8 | 177.3 | -177 | 0 | 0 | 0 | 0 | 109.5 | L460 V462 V482 | L460-V480 PolarHBondContact N-O 3.18Å; L460-V480 PolarHBondContact O-N 2.78Å; V462-V480 HydrophobicContact CG2-CG2 4.35Å; V480-V482 HydrophobicContact CG1-CG2 4.25Å |
| 481 | T | 79.3 | Confident | 72 | Confident | 75 Ų | 75 | 103.8 Ų | 103.8 | 46% | 0.46 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.4 | 112.3 | 177.1 | -57.1 | 0 | 0 | 0 | 0 | 110.5 | Q459 | Q459-T481 HydrophobicContact CG-CG2 4.27Å |
| 482 | V | 79.4 | Confident | 71 | Confident | 60 Ų | 60 | 105 Ų | 105 | 36% | 0.364 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.1 | 177 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | V458 L460 V480 V484 | V458-V482 PolarHBondContact N-O 3.42Å; V458-V482 PolarHBondContact O-N 2.61Å; L460-V482 HydrophobicContact CD1-CB 4.47Å; L460-V482 HydrophobicContact CD1-CG2 3.73Å; L460-V482 HydrophobicContact CG-CG2 4.33Å; V480-V482 HydrophobicContact CG1-CG2 4.25Å; V482-V484 HydrophobicContact CG1-CG2 4.24Å |
| 483 | T | 78.8 | Confident | 70.4 | Confident | 80 Ų | 80 | 99.8 Ų | 99.8 | 49% | 0.491 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 96.4 | -178.6 | 62.7 | 0 | 0 | 0 | 0 | 110.5 | T457 K485 | T457-T483 HydrophobicContact CG2-CG2 3.91Å; T483-K485 PolarHBondContact O-N 2.93Å |
| 484 | V | 74.4 | Confident | 69.4 | Low | 70 Ų | 70 | 99.6 Ų | 99.6 | 42% | 0.424 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.3 | 114.4 | -179 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | R456 V482 E486 | R456-V484 HydrophobicContact CB-CB 4.48Å; R456-V484 PolarHBondContact N-O 2.95Å; R456-V484 PolarHBondContact O-N 3.34Å; V482-V484 HydrophobicContact CG1-CG2 4.24Å; V484-E486 PolarHBondContact O-N 2.8Å |
| 485 | K | 69.6 | Low | 69.5 | Low | 123 Ų | 123 | 102 Ų | 102 | 54% | 0.535 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89 | 72.7 | 176.7 | -63 | -162.1 | -178.8 | -131.7 | 0 | 111.3 | E455 T483 G487 A488 | E455-K485 HydrophobicContact CG-CG 4.3Å; E455-K485 WeakPolarHBondContact OE1-CD 3.18Å; E455-K485 VanDerWaalsContact OE1-CE 3.25Å; E455-K485 WeakPolarHBondContact OE1-CE 3.32Å; E455-K485 IonicContact OE1-NZ 2.78Å; E455-K485 PolarHBondContact OE1-NZ 3.09Å; E455-K485 IonicContact OE2-NZ 3.95Å; T483-K485 PolarHBondContact O-N 2.93Å; K485-G487 PolarHBondContact O-N 2.74Å; K485-A488 HydrophobicContact CB-CB 4.29Å |
| 486 | E | 59.5 | Low | 68.9 | Low | 123 Ų | 123 | 102.5 Ų | 102.5 | 58% | 0.575 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.6 | 112.9 | 177.9 | -162.2 | 176.2 | 175 | 0 | 0 | 110.2 | R456 V484 | R456-E486 VanDerWaalsContact CD-OE2 3.27Å; R456-E486 WeakPolarHBondContact CD-OE2 3.48Å; V484-E486 PolarHBondContact O-N 2.8Å |
| 487 | G | 56.2 | Low | 68.9 | Low | 65 Ų | 65 | 98.3 Ų | 98.3 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.7 | 16.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | K485 | K485-G487 PolarHBondContact O-N 2.74Š|
| 488 | A | 47 | Very low | 69.1 | Low | 76 Ų | 76 | 97.7 Ų | 97.7 | 63% | 0.628 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -80.5 | -18.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | K485 | K485-A488 HydrophobicContact CB-CB 4.29Š|
| 489 | E | 51.8 | Low | 69.4 | Low | 167 Ų | 167 | 96.3 Ų | 96.3 | 78% | 0.78 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -120.3 | 3.8 | -164 | -153.1 | 173.1 | -117.4 | 0 | 0 | 115.1 | L491 | E489-L491 VanDerWaalsContact C-N 3.32Å; E489-L491 PolarHBondContact O-N 2.77Å |
| 490 | E | 55.9 | Low | 69.8 | Low | 147 Ų | 147 | 98.7 Ų | 98.7 | 69% | 0.687 | 57% | 0.57 | S | S | * | * | trans | -81 | 82.8 | 168.4 | -164.3 | 178.8 | -163.5 | 0 | 0 | 109.9 | A492 K499 | E490-A492 PolarHBondContact O-N 2.9Å; E490-K499 WeakPolarHBondContact OE1-CE 3.31Å; E490-K499 IonicContact OE1-NZ 2.71Å; E490-K499 PolarHBondContact OE1-NZ 2.77Å | ||
| 491 | L | 59.4 | Low | 69.9 | Low | 153 Ų | 153 | 101.6 Ų | 101.6 | 80% | 0.801 | 58% | 0.583 | S | S | * | * | trans | -52.8 | 130.3 | 172.8 | -68 | 176.6 | 0 | 0 | 0 | 109.9 | E489 A493 | E489-L491 VanDerWaalsContact C-N 3.32Å; E489-L491 PolarHBondContact O-N 2.77Å; L491-A493 VanDerWaalsContact C-N 3.32Å; L491-A493 PolarHBondContact O-N 3.44Å | ||
| 492 | A | 55.6 | Low | 70.5 | Confident | 89 Ų | 89 | 101.7 Ų | 101.7 | 74% | 0.736 | 58% | 0.584 | S | S | * | * | trans | -69 | 88.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | E490 T494 | E490-A492 PolarHBondContact O-N 2.9Å; A492-T494 PolarHBondContact O-N 3.18Å; A492-T494 VanDerWaalsContact O-N 3.09Å | ||
| 493 | A | 57.1 | Low | 71.1 | Confident | 39 Ų | 39 | 103.9 Ų | 103.9 | 32% | 0.322 | 59% | 0.593 | S | S | . | * | trans | -44.5 | 115.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L491 K495 E498 K499 | L491-A493 VanDerWaalsContact C-N 3.32Å; L491-A493 PolarHBondContact O-N 3.44Å; A493-K495 VanDerWaalsContact C-N 3.33Å; A493-E498 WeakPolarHBondContact CA-OE2 3.47Å; A493-E498 HydrophobicContact CB-CB 4.16Å; A493-E498 HydrophobicContact CB-CG 4.45Å; A493-K499 HydrophobicContact CB-CD 4.22Å; A493-K499 HydrophobicContact CB-CG 3.55Å | ||
| 494 | T | 62.7 | Low | 71.9 | Confident | 116 Ų | 116 | 107 Ų | 107 | 71% | 0.712 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -83 | -17.3 | -172.5 | 62.8 | 0 | 0 | 0 | 0 | 112 | A492 E498 | A492-T494 PolarHBondContact O-N 3.18Å; A492-T494 VanDerWaalsContact O-N 3.09Å; T494-E498 PolarHBondContact N-OE2 3.06Å; T494-E498 PolarHBondContact OG1-OE2 3.06Å |
| 495 | K | 81.2 | Confident | 72.9 | Confident | 146 Ų | 146 | 109.4 Ų | 109.4 | 64% | 0.635 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -126.2 | 139.5 | -179.8 | -61.2 | 168.1 | -172 | 171.7 | 0 | 110.3 | A493 G497 E498 | A493-K495 VanDerWaalsContact C-N 3.33Å; K495-G497 PolarHBondContact O-N 2.83Å; K495-E498 HydrophobicContact CB-CB 4.38Å; K495-E498 PolarHBondContact N-OE2 3.05Å; K495-E498 VanDerWaalsContact N-OE2 3.17Å; K495-E498 VanDerWaalsContact O-CB 3.3Å; K495-E498 WeakPolarHBondContact O-CB 3.3Å; K495-E498 PolarHBondContact O-N 3.49Å |
| 496 | P | 72.1 | Confident | 74.1 | Confident | 135 Ų | 135 | 112.3 Ų | 112.3 | 88% | 0.877 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.3 | 138.2 | 169.2 | 26.7 | -33.6 | 0 | 0 | 0 | 109.8 | E498 | P496-E498 PolarHBondContact O-N 2.85Š|
| 497 | G | 79 | Confident | 75.9 | Confident | 44 Ų | 44 | 111.3 Ų | 111.3 | 45% | 0.454 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 87.8 | -17.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | K495 K499 L500 L501 | K495-G497 PolarHBondContact O-N 2.83Å; G497-K499 VanDerWaalsContact C-N 3.28Å; G497-K499 PolarHBondContact O-N 2.99Å; G497-L500 WeakPolarHBondContact O-CA 3.36Å; G497-L500 WeakPolarHBondContact O-CB 3.48Å; G497-L500 PolarHBondContact O-N 2.84Å; G497-L501 PolarHBondContact O-N 3.49Å; G497-L501 VanDerWaalsContact O-N 3.09Å |
| 498 | E | 86.3 | Confident | 77.8 | Confident | 74 Ų | 74 | 114.5 Ų | 114.5 | 35% | 0.346 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -58.8 | -37.1 | -179 | -177.1 | 171.7 | -154.9 | 0 | 0 | 112.8 | A493 T494 K495 P496 L500 T502 | A493-E498 WeakPolarHBondContact CA-OE2 3.47Å; A493-E498 HydrophobicContact CB-CB 4.16Å; A493-E498 HydrophobicContact CB-CG 4.45Å; T494-E498 PolarHBondContact N-OE2 3.06Å; T494-E498 PolarHBondContact OG1-OE2 3.06Å; K495-E498 HydrophobicContact CB-CB 4.38Å; K495-E498 PolarHBondContact N-OE2 3.05Å; K495-E498 VanDerWaalsContact N-OE2 3.17Å; K495-E498 VanDerWaalsContact O-CB 3.3Å; K495-E498 WeakPolarHBondContact O-CB 3.3Å; K495-E498 PolarHBondContact O-N 3.49Å; P496-E498 PolarHBondContact O-N 2.85Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 2.79Å; E498-T502 PolarHBondContact O-N 3.05Å; E498-T502 VanDerWaalsContact O-N 3.12Å; E498-T502 PolarHBondContact O-OG1 3.4Å |
| 499 | K | 87.1 | Confident | 80.1 | Confident | 102 Ų | 102 | 115.7 Ų | 115.7 | 44% | 0.443 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.2 | -31.4 | 172.5 | -61.9 | -165.7 | 178.2 | -175.7 | 0 | 113.6 | E490 A493 G497 T502 L503 | E490-K499 WeakPolarHBondContact OE1-CE 3.31Å; E490-K499 IonicContact OE1-NZ 2.71Å; E490-K499 PolarHBondContact OE1-NZ 2.77Å; A493-K499 HydrophobicContact CB-CD 4.22Å; A493-K499 HydrophobicContact CB-CG 3.55Å; G497-K499 VanDerWaalsContact C-N 3.28Å; G497-K499 PolarHBondContact O-N 2.99Å; K499-T502 WeakPolarHBondContact CA-OG1 3.42Å; K499-T502 PolarHBondContact O-OG1 3Å; K499-L503 WeakPolarHBondContact O-CB 3.38Å; K499-L503 PolarHBondContact O-N 2.94Å |
| 500 | L | 87.3 | Confident | 82.2 | Confident | 123 Ų | 123 | 110 Ų | 110 | 64% | 0.644 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -76.9 | -38.6 | -179.4 | -176.2 | 61.7 | 0 | 0 | 0 | 111.1 | G497 E498 K504 | G497-L500 WeakPolarHBondContact O-CA 3.36Å; G497-L500 WeakPolarHBondContact O-CB 3.48Å; G497-L500 PolarHBondContact O-N 2.84Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 2.79Å; L500-K504 WeakPolarHBondContact O-CB 3.39Å; L500-K504 PolarHBondContact O-N 3Å |
| 501 | L | 88.9 | Confident | 84 | Confident | 127 Ų | 127 | 107.3 Ų | 107.3 | 67% | 0.665 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.1 | -46.1 | 174.8 | -64.7 | 176.5 | 0 | 0 | 0 | 111.7 | G497 K504 Q505 | G497-L501 PolarHBondContact O-N 3.49Å; G497-L501 VanDerWaalsContact O-N 3.09Å; L501-K504 PolarHBondContact O-N 3.04Å; L501-Q505 WeakPolarHBondContact O-CB 3.45Å; L501-Q505 PolarHBondContact O-N 3.04Å |
| 502 | T | 90.7 | Very high | 85.7 | Confident | 77 Ų | 77 | 102.2 Ų | 102.2 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.2 | -36.9 | 176.1 | 47.5 | 0 | 0 | 0 | 0 | 112.4 | E498 K499 R506 | E498-T502 PolarHBondContact O-N 3.05Å; E498-T502 VanDerWaalsContact O-N 3.12Å; E498-T502 PolarHBondContact O-OG1 3.4Å; K499-T502 WeakPolarHBondContact CA-OG1 3.42Å; K499-T502 PolarHBondContact O-OG1 3Å; T502-R506 VanDerWaalsContact O-CB 3.29Å; T502-R506 WeakPolarHBondContact O-CB 3.37Å; T502-R506 PolarHBondContact O-N 3.35Å |
| 503 | L | 92.7 | Very high | 87.6 | Confident | 106 Ų | 106 | 103.6 Ų | 103.6 | 56% | 0.555 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.2 | -45 | 171.3 | -179.4 | 62.4 | 0 | 0 | 0 | 112.1 | K499 R506 L507 | K499-L503 WeakPolarHBondContact O-CB 3.38Å; K499-L503 PolarHBondContact O-N 2.94Å; L503-R506 PolarHBondContact O-N 2.93Å; L503-L507 VanDerWaalsContact O-CB 3.32Å; L503-L507 WeakPolarHBondContact O-CB 3.43Å; L503-L507 PolarHBondContact O-N 3.5Å |
| 504 | K | 95.1 | Very high | 89.4 | Confident | 144 Ų | 144 | 108.8 Ų | 108.8 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.3 | -46.1 | 176.6 | -176.1 | 178.3 | 178.7 | -179.6 | 0 | 111.1 | L500 L501 L507 Q508 | L500-K504 WeakPolarHBondContact O-CB 3.39Å; L500-K504 PolarHBondContact O-N 3Å; L501-K504 PolarHBondContact O-N 3.04Å; K504-L507 PolarHBondContact O-N 3.02Å; K504-Q508 WeakPolarHBondContact O-CB 3.22Å; K504-Q508 PolarHBondContact O-N 3.2Å |
| 505 | Q | 95.3 | Very high | 91.1 | Very high | 121 Ų | 121 | 109.9 Ų | 109.9 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.4 | -46.1 | 176.8 | -171.6 | -178.7 | 19.2 | 0 | 0 | 111.8 | L501 L507 Q508 L509 | L501-Q505 WeakPolarHBondContact O-CB 3.45Å; L501-Q505 PolarHBondContact O-N 3.04Å; Q505-L507 PolarHBondContact O-N 2.7Å; Q505-Q508 PolarHBondContact O-N 3.44Å; Q505-L509 HydrophobicContact CG-CD1 4.28Å; Q505-L509 WeakPolarHBondContact O-CB 3.11Å; Q505-L509 WeakPolarHBondContact O-CG 3.23Å; Q505-L509 PolarHBondContact O-N 3.03Å |
| 506 | R | 96 | Very high | 91.6 | Very high | 185 Ų | 185 | 108.6 Ų | 108.6 | 70% | 0.698 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -62.7 | -40.5 | 177.4 | -177.3 | 174.6 | 178.6 | 148.7 | 2.5 | 112.2 | T502 L503 A510 | T502-R506 VanDerWaalsContact O-CB 3.29Å; T502-R506 WeakPolarHBondContact O-CB 3.37Å; T502-R506 PolarHBondContact O-N 3.35Å; L503-R506 PolarHBondContact O-N 2.93Å; R506-A510 WeakPolarHBondContact O-CB 3.41Å; R506-A510 PolarHBondContact O-N 2.87Å |
| 507 | L | 95.6 | Very high | 92.6 | Very high | 102 Ų | 102 | 108.1 Ų | 108.1 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.2 | -44.6 | 175.8 | 179.7 | 61 | 0 | 0 | 0 | 111.3 | L503 K504 Q505 L509 A510 M511 | L503-L507 VanDerWaalsContact O-CB 3.32Å; L503-L507 WeakPolarHBondContact O-CB 3.43Å; L503-L507 PolarHBondContact O-N 3.5Å; K504-L507 PolarHBondContact O-N 3.02Å; Q505-L507 PolarHBondContact O-N 2.7Å; L507-L509 VanDerWaalsContact C-N 3.34Å; L507-L509 PolarHBondContact O-N 2.74Å; L507-A510 PolarHBondContact O-N 3.33Å; L507-M511 HydrophobicContact CD1-CG 4.22Å; L507-M511 HydrophobicContact CD1-SD 4.32Å; L507-M511 HydrophobicContact CG-SD 4.22Å; L507-M511 WeakPolarHBondContact O-CB 3.48Å; L507-M511 VanDerWaalsContact O-CG 3.32Å; L507-M511 WeakPolarHBondContact O-CG 3.3Å; L507-M511 PolarHBondContact O-N 2.9Å |
| 508 | Q | 96.7 | Very high | 93.3 | Very high | 132 Ų | 132 | 111 Ų | 111 | 62% | 0.617 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61 | -42.3 | 177.1 | -173.8 | 173.9 | 1 | 0 | 0 | 111.8 | K504 Q505 M511 A512 | K504-Q508 WeakPolarHBondContact O-CB 3.22Å; K504-Q508 PolarHBondContact O-N 3.2Å; Q505-Q508 PolarHBondContact O-N 3.44Å; Q508-M511 PolarHBondContact O-N 2.84Å; Q508-A512 WeakPolarHBondContact O-CB 3.26Å; Q508-A512 PolarHBondContact O-N 3.41Å |
| 509 | L | 96.4 | Very high | 93.7 | Very high | 101 Ų | 101 | 115.2 Ų | 115.2 | 53% | 0.529 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 173.9 | -71.4 | 171.4 | 0 | 0 | 0 | 112.2 | Q505 L507 M511 A512 Q513 | Q505-L509 HydrophobicContact CG-CD1 4.28Å; Q505-L509 WeakPolarHBondContact O-CB 3.11Å; Q505-L509 WeakPolarHBondContact O-CG 3.23Å; Q505-L509 PolarHBondContact O-N 3.03Å; L507-L509 VanDerWaalsContact C-N 3.34Å; L507-L509 PolarHBondContact O-N 2.74Å; L509-M511 VanDerWaalsContact C-N 3.33Å; L509-M511 PolarHBondContact O-N 2.89Å; L509-A512 WeakPolarHBondContact O-CB 3.33Å; L509-A512 PolarHBondContact O-N 2.79Å; L509-A512 VanDerWaalsContact O-N 3.15Å; L509-Q513 WeakPolarHBondContact O-CB 3.39Å; L509-Q513 WeakPolarHBondContact O-CG 3.23Å; L509-Q513 PolarHBondContact O-N 3.23Å |
| 510 | A | 95.8 | Very high | 94 | Very high | 46 Ų | 46 | 113.1 Ų | 113.1 | 38% | 0.38 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R506 L507 R514 | R506-A510 WeakPolarHBondContact O-CB 3.41Å; R506-A510 PolarHBondContact O-N 2.87Å; L507-A510 PolarHBondContact O-N 3.33Å; A510-R514 WeakPolarHBondContact O-CB 3.33Å; A510-R514 PolarHBondContact O-N 2.81Å |
| 511 | M | 93.2 | Very high | 94.2 | Very high | 91 Ų | 91 | 116.3 Ų | 116.3 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.9 | -32 | 173 | -69 | -178.4 | 79.6 | 0 | 0 | 112.5 | L507 Q508 L509 R515 | L507-M511 HydrophobicContact CD1-CG 4.22Å; L507-M511 HydrophobicContact CD1-SD 4.32Å; L507-M511 HydrophobicContact CG-SD 4.22Å; L507-M511 WeakPolarHBondContact O-CB 3.48Å; L507-M511 VanDerWaalsContact O-CG 3.32Å; L507-M511 WeakPolarHBondContact O-CG 3.3Å; L507-M511 PolarHBondContact O-N 2.9Å; Q508-M511 PolarHBondContact O-N 2.84Å; L509-M511 VanDerWaalsContact C-N 3.33Å; L509-M511 PolarHBondContact O-N 2.89Å; M511-R515 WeakPolarHBondContact O-CB 3.29Å; M511-R515 VanDerWaalsContact O-CG 3.31Å; M511-R515 WeakPolarHBondContact O-CG 3.27Å; M511-R515 PolarHBondContact O-N 3.46Å; M511-R515 VanDerWaalsContact O-N 3.12Å |
| 512 | A | 95.5 | Very high | 94.3 | Very high | 47 Ų | 47 | 117.9 Ų | 117.9 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.8 | -43.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q508 L509 R515 M516 | Q508-A512 WeakPolarHBondContact O-CB 3.26Å; Q508-A512 PolarHBondContact O-N 3.41Å; L509-A512 WeakPolarHBondContact O-CB 3.33Å; L509-A512 PolarHBondContact O-N 2.79Å; L509-A512 VanDerWaalsContact O-N 3.15Å; A512-R515 PolarHBondContact O-N 3.13Å; A512-M516 WeakPolarHBondContact O-CB 3.49Å; A512-M516 PolarHBondContact O-N 3.07Å |
| 513 | Q | 95.3 | Very high | 94.1 | Very high | 117 Ų | 117 | 117 Ų | 117 | 55% | 0.547 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -59.7 | -51.3 | 173.2 | -73.9 | 173.8 | -40.4 | 0 | 0 | 111.1 | L509 R515 M516 E517 | L509-Q513 WeakPolarHBondContact O-CB 3.39Å; L509-Q513 WeakPolarHBondContact O-CG 3.23Å; L509-Q513 PolarHBondContact O-N 3.23Å; Q513-R515 VanDerWaalsContact C-N 3.31Å; Q513-R515 PolarHBondContact O-N 2.87Å; Q513-M516 CarbonylContact O-C 3.56Å; Q513-M516 WeakPolarHBondContact O-CA 3.37Å; Q513-M516 WeakPolarHBondContact O-CB 3.38Å; Q513-M516 PolarHBondContact O-N 3.14Å; Q513-E517 WeakPolarHBondContact O-CG 3.46Å; Q513-E517 PolarHBondContact O-N 3.31Å |
| 514 | R | 95.6 | Very high | 93.7 | Very high | 148 Ų | 148 | 117.8 Ų | 117.8 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -57.2 | -40.3 | 176.6 | -170 | -174.9 | 175.1 | -70.7 | -2.1 | 112.7 | A510 E518 | A510-R514 WeakPolarHBondContact O-CB 3.33Å; A510-R514 PolarHBondContact O-N 2.81Å; R514-E518 IonicContact CZ-OE2 3.29Å; R514-E518 IonicContact NH1-OE1 3.04Å; R514-E518 IonicContact NH1-OE2 3.47Å; R514-E518 PolarHBondContact NH1-OE2 3.34Å; R514-E518 IonicContact NH2-OE1 3.4Å; R514-E518 WeakPolarHBondContact O-CB 3.49Å; R514-E518 PolarHBondContact O-N 2.61Å |
| 515 | R | 96.6 | Very high | 92.8 | Very high | 139 Ų | 139 | 116 Ų | 116 | 53% | 0.525 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.5 | -31.8 | 174.6 | -75 | -177.4 | -171.1 | 107.2 | -12.2 | 113.3 | M511 A512 Q513 R519 | M511-R515 WeakPolarHBondContact O-CB 3.29Å; M511-R515 VanDerWaalsContact O-CG 3.31Å; M511-R515 WeakPolarHBondContact O-CG 3.27Å; M511-R515 PolarHBondContact O-N 3.46Å; M511-R515 VanDerWaalsContact O-N 3.12Å; A512-R515 PolarHBondContact O-N 3.13Å; Q513-R515 VanDerWaalsContact C-N 3.31Å; Q513-R515 PolarHBondContact O-N 2.87Å; R515-R519 WeakPolarHBondContact O-CB 3.42Å; R515-R519 WeakPolarHBondContact O-CG 3.27Å; R515-R519 PolarHBondContact O-N 3.15Å; R515-R519 VanDerWaalsContact O-N 3.11Å; R515-R519 PolarHBondContact O-NE 3.15Å |
| 516 | M | 92.3 | Very high | 91.9 | Very high | 119 Ų | 119 | 115.7 Ų | 115.7 | 59% | 0.586 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.8 | -45.9 | 175.2 | -176.6 | -177.5 | -73.4 | 0 | 0 | 110.6 | A512 Q513 E518 R519 A520 | A512-M516 WeakPolarHBondContact O-CB 3.49Å; A512-M516 PolarHBondContact O-N 3.07Å; Q513-M516 CarbonylContact O-C 3.56Å; Q513-M516 WeakPolarHBondContact O-CA 3.37Å; Q513-M516 WeakPolarHBondContact O-CB 3.38Å; Q513-M516 PolarHBondContact O-N 3.14Å; M516-E518 PolarHBondContact O-N 2.71Å; M516-R519 PolarHBondContact O-N 2.71Å; M516-A520 VanDerWaalsContact O-CB 3.24Å; M516-A520 WeakPolarHBondContact O-CB 3.45Å; M516-A520 PolarHBondContact O-N 2.57Å |
| 517 | E | 94.1 | Very high | 91.1 | Very high | 126 Ų | 126 | 114.8 Ų | 114.8 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.5 | -41.3 | 173.4 | -69 | 163.1 | -167.8 | 0 | 0 | 111.8 | Q513 A520 R521 | Q513-E517 WeakPolarHBondContact O-CG 3.46Å; Q513-E517 PolarHBondContact O-N 3.31Å; E517-A520 PolarHBondContact O-N 2.97Å; E517-R521 WeakPolarHBondContact O-CB 3.35Å; E517-R521 PolarHBondContact O-N 2.86Å |
| 518 | E | 92.8 | Very high | 89.9 | Confident | 104 Ų | 104 | 115 Ų | 115 | 49% | 0.486 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.7 | -39.2 | 178.6 | -172.6 | 159.3 | -142 | 0 | 0 | 112.2 | R514 M516 K522 | R514-E518 IonicContact CZ-OE2 3.29Å; R514-E518 IonicContact NH1-OE1 3.04Å; R514-E518 IonicContact NH1-OE2 3.47Å; R514-E518 PolarHBondContact NH1-OE2 3.34Å; R514-E518 IonicContact NH2-OE1 3.4Å; R514-E518 WeakPolarHBondContact O-CB 3.49Å; R514-E518 PolarHBondContact O-N 2.61Å; M516-E518 PolarHBondContact O-N 2.71Å; E518-K522 PolarHBondContact O-N 2.92Å |
| 519 | R | 94.3 | Very high | 88.8 | Confident | 163 Ų | 163 | 113.2 Ų | 113.2 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68.8 | -44.8 | 171.1 | -75.9 | -176 | -63.9 | 112.6 | -4.7 | 112.5 | R515 M516 R521 K522 A523 | R515-R519 WeakPolarHBondContact O-CB 3.42Å; R515-R519 WeakPolarHBondContact O-CG 3.27Å; R515-R519 PolarHBondContact O-N 3.15Å; R515-R519 VanDerWaalsContact O-N 3.11Å; R515-R519 PolarHBondContact O-NE 3.15Å; M516-R519 PolarHBondContact O-N 2.71Å; R519-R521 VanDerWaalsContact C-N 3.3Å; R519-R521 PolarHBondContact O-N 2.94Å; R519-K522 PolarHBondContact O-N 3.35Å; R519-K522 VanDerWaalsContact O-N 3.13Å; R519-A523 PolarHBondContact O-N 2.81Å |
| 520 | A | 93.3 | Very high | 87.1 | Confident | 58 Ų | 58 | 113.3 Ų | 113.3 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -59.7 | -42.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111 | M516 E517 A523 E524 | M516-A520 VanDerWaalsContact O-CB 3.24Å; M516-A520 WeakPolarHBondContact O-CB 3.45Å; M516-A520 PolarHBondContact O-N 2.57Å; E517-A520 PolarHBondContact O-N 2.97Å; A520-A523 PolarHBondContact O-N 3.47Å; A520-E524 VanDerWaalsContact O-CB 3.3Å; A520-E524 WeakPolarHBondContact O-CB 3.36Å; A520-E524 PolarHBondContact O-N 3.4Å |
| 521 | R | 93.1 | Very high | 85.2 | Confident | 189 Ų | 189 | 116.6 Ų | 116.6 | 71% | 0.713 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.7 | -33 | 174.5 | -172.8 | -179.8 | 178.2 | -158.5 | -1.9 | 113.2 | E517 R519 L525 | E517-R521 WeakPolarHBondContact O-CB 3.35Å; E517-R521 PolarHBondContact O-N 2.86Å; R519-R521 VanDerWaalsContact C-N 3.3Å; R519-R521 PolarHBondContact O-N 2.94Å; R521-L525 VanDerWaalsContact O-CB 3.25Å; R521-L525 WeakPolarHBondContact O-CB 3.29Å; R521-L525 PolarHBondContact O-N 3.48Å |
| 522 | K | 90.1 | Very high | 83.1 | Confident | 161 Ų | 161 | 119.3 Ų | 119.3 | 70% | 0.7 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.6 | -41.6 | 171.8 | -168.8 | -171.2 | 176.2 | -165.2 | 0 | 110.6 | E518 R519 L525 H526 | E518-K522 PolarHBondContact O-N 2.92Å; R519-K522 PolarHBondContact O-N 3.35Å; R519-K522 VanDerWaalsContact O-N 3.13Å; K522-L525 PolarHBondContact O-N 3.17Å; K522-H526 WeakPolarHBondContact O-CB 3.38Å; K522-H526 PolarHBondContact O-N 2.87Å |
| 523 | A | 86.4 | Confident | 80.5 | Confident | 58 Ų | 58 | 122.5 Ų | 122.5 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.6 | -42.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | R519 A520 L525 H526 R527 | R519-A523 PolarHBondContact O-N 2.81Å; A520-A523 PolarHBondContact O-N 3.47Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 3.26Å; A523-H526 WeakPolarHBondContact O-CB 3.3Å; A523-H526 PolarHBondContact O-N 2.99Å; A523-R527 PolarHBondContact O-N 2.9Å |
| 524 | E | 84.5 | Confident | 78 | Confident | 122 Ų | 122 | 118.4 Ų | 118.4 | 57% | 0.57 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.8 | -43.9 | 172.5 | -178.2 | -176.2 | -149.1 | 0 | 0 | 111.1 | A520 H526 R527 L528 | A520-E524 VanDerWaalsContact O-CB 3.3Å; A520-E524 WeakPolarHBondContact O-CB 3.36Å; A520-E524 PolarHBondContact O-N 3.4Å; E524-H526 VanDerWaalsContact C-N 3.34Å; E524-R527 PolarHBondContact O-N 3.22Å; E524-L528 HydrophobicContact CG-CD1 4.34Å; E524-L528 VanDerWaalsContact O-CG 3.31Å; E524-L528 WeakPolarHBondContact O-CG 3.32Å; E524-L528 PolarHBondContact O-N 3.12Å |
| 525 | L | 76.3 | Confident | 75.5 | Confident | 107 Ų | 107 | 119.5 Ų | 119.5 | 56% | 0.56 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.8 | -35.8 | 174 | -176.4 | 63.9 | 0 | 0 | 0 | 112.3 | R521 K522 A523 L528 D529 | R521-L525 VanDerWaalsContact O-CB 3.25Å; R521-L525 WeakPolarHBondContact O-CB 3.29Å; R521-L525 PolarHBondContact O-N 3.48Å; K522-L525 PolarHBondContact O-N 3.17Å; A523-L525 VanDerWaalsContact C-N 3.35Å; A523-L525 PolarHBondContact O-N 3.26Å; L525-L528 PolarHBondContact O-N 3.25Å; L525-D529 PolarHBondContact O-N 3.27Å |
| 526 | H | 75.6 | Confident | 72.9 | Confident | 114 Ų | 114 | 122.4 Ų | 122.4 | 53% | 0.528 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70 | -37.2 | 176.8 | -169.6 | -47 | 0 | 0 | 0 | 112 | K522 A523 E524 D529 N530 | K522-H526 WeakPolarHBondContact O-CB 3.38Å; K522-H526 PolarHBondContact O-N 2.87Å; A523-H526 WeakPolarHBondContact O-CB 3.3Å; A523-H526 PolarHBondContact O-N 2.99Å; E524-H526 VanDerWaalsContact C-N 3.34Å; H526-D529 PolarHBondContact O-N 3.49Å; H526-N530 PolarHBondContact CE1-OD1 3.32Å; H526-N530 PolarHBondContact ND1-OD1 2.83Å; H526-N530 PolarHBondContact O-N 2.71Å; H526-N530 VanDerWaalsContact O-N 3.15Å; H526-N530 PolarHBondContact O-OD1 3.09Å |
| 527 | R | 79.9 | Confident | 70.5 | Confident | 167 Ų | 167 | 124.7 Ų | 124.7 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61 | -46.6 | 169.8 | -73.7 | -166.9 | 64.2 | 114.9 | 10.9 | 110.9 | A523 E524 D529 N530 E531 | A523-R527 PolarHBondContact O-N 2.9Å; E524-R527 PolarHBondContact O-N 3.22Å; R527-D529 VanDerWaalsContact C-N 3.35Å; R527-D529 PolarHBondContact O-N 3.45Å; R527-N530 PolarHBondContact O-N 3.49Å; R527-N530 VanDerWaalsContact O-N 3.09Å; R527-E531 IonicContact CZ-OE1 3.35Å; R527-E531 IonicContact NE-OE1 3.92Å; R527-E531 PolarHBondContact NE-OE1 3.4Å; R527-E531 VanDerWaalsContact NE-OE1 3.08Å; R527-E531 IonicContact NH2-OE1 2.78Å; R527-E531 PolarHBondContact NH2-OE1 2.81Å; R527-E531 WeakPolarHBondContact O-CB 3.13Å; R527-E531 VanDerWaalsContact O-CG 3.23Å; R527-E531 WeakPolarHBondContact O-CG 3.34Å; R527-E531 PolarHBondContact O-N 3.49Å |
| 528 | L | 71.3 | Confident | 67.9 | Low | 105 Ų | 105 | 126.8 Ų | 126.8 | 55% | 0.55 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -70.1 | -20.7 | 178.5 | -67.6 | 168.4 | 0 | 0 | 0 | 115.1 | E524 L525 | E524-L528 HydrophobicContact CG-CD1 4.34Å; E524-L528 VanDerWaalsContact O-CG 3.31Å; E524-L528 WeakPolarHBondContact O-CG 3.32Å; E524-L528 PolarHBondContact O-N 3.12Å; L525-L528 PolarHBondContact O-N 3.25Å |
| 529 | D | 71.9 | Confident | 65.3 | Low | 96 Ų | 96 | 131.3 Ų | 131.3 | 51% | 0.513 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -82.3 | -20.9 | 170.7 | -129.4 | 47.3 | 0 | 0 | 0 | 110.7 | R229 L525 H526 R527 | R229-D529 IonicContact NH2-OD2 3.16Å; R229-D529 PolarHBondContact NH2-OD2 2.89Å; L525-D529 PolarHBondContact O-N 3.27Å; H526-D529 PolarHBondContact O-N 3.49Å; R527-D529 VanDerWaalsContact C-N 3.35Å; R527-D529 PolarHBondContact O-N 3.45Å |
| 530 | N | 61.9 | Low | 62.7 | Low | 103 Ų | 103 | 132.6 Ų | 132.6 | 55% | 0.551 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -89.6 | -32.6 | 175.3 | -74.1 | 33.9 | 0 | 0 | 0 | 112.9 | H526 R527 D532 | H526-N530 PolarHBondContact CE1-OD1 3.32Å; H526-N530 PolarHBondContact ND1-OD1 2.83Å; H526-N530 PolarHBondContact O-N 2.71Å; H526-N530 VanDerWaalsContact O-N 3.15Å; H526-N530 PolarHBondContact O-OD1 3.09Å; R527-N530 PolarHBondContact O-N 3.49Å; R527-N530 VanDerWaalsContact O-N 3.09Å; N530-D532 PolarHBondContact O-N 2.96Å |
| 531 | E | 55.8 | Low | 60 | Low | 114 Ų | 114 | 138.6 Ų | 138.6 | 53% | 0.533 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.9 | 11.6 | -176.7 | -71.5 | 164.5 | -168.5 | 0 | 0 | 113.8 | R527 | R527-E531 IonicContact CZ-OE1 3.35Å; R527-E531 IonicContact NE-OE1 3.92Å; R527-E531 PolarHBondContact NE-OE1 3.4Å; R527-E531 VanDerWaalsContact NE-OE1 3.08Å; R527-E531 IonicContact NH2-OE1 2.78Å; R527-E531 PolarHBondContact NH2-OE1 2.81Å; R527-E531 WeakPolarHBondContact O-CB 3.13Å; R527-E531 VanDerWaalsContact O-CG 3.23Å; R527-E531 WeakPolarHBondContact O-CG 3.34Å; R527-E531 PolarHBondContact O-N 3.49Å |
| 532 | D | 47.9 | Very low | 57 | Low | 148 Ų | 148 | 138.7 Ų | 138.7 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 9.5 | 178.7 | -153.5 | 35.1 | 0 | 0 | 0 | 112.6 | N530 | N530-D532 PolarHBondContact O-N 2.96Š|
| 533 | C | 41.9 | Very low | 54.4 | Low | 114 Ų | 114 | 138.4 Ų | 138.4 | 77% | 0.77 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -140.9 | 43.4 | -176.1 | -71.2 | 0 | 0 | 0 | 0 | 113.1 | ||
| 534 | G | 42.4 | Very low | 51.6 | Low | 31 Ų | 31 | 143.6 Ų | 143.6 | 32% | 0.32 | 71% | 0.713 | S | S | . | * | trans | -136.4 | -3.7 | -175 | 0 | 0 | 0 | 0 | 0 | 117.6 | E536 E537 | G534-E536 PolarHBondContact O-N 3.38Å; G534-E537 PolarHBondContact O-N 2.91Å | ||
| 535 | D | 43.1 | Very low | 49.1 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 92% | 0.92 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 7.5 | -168 | -127.1 | 26 | 0 | 0 | 0 | 115.4 | ||
| 536 | E | 42.4 | Very low | 47.1 | Very low | 199 Ų | 199 | 148.6 Ų | 148.6 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.9 | 1.9 | 176.2 | -65.8 | -167.8 | 169.1 | 0 | 0 | 114.7 | G534 | G534-E536 PolarHBondContact O-N 3.38Š|
| 537 | E | 41.3 | Very low | 44.9 | Very low | 168 Ų | 168 | 152 Ų | 152 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.6 | -5.7 | -176.3 | -69.6 | -177.3 | 168.6 | 0 | 0 | 115.5 | G534 E539 | G534-E537 PolarHBondContact O-N 2.91Å; E537-E539 VanDerWaalsContact C-N 3.28Å; E537-E539 PolarHBondContact O-N 3.36Å; E537-E539 VanDerWaalsContact O-N 3.16Å |
| 538 | E | 39.1 | Very low | 42.7 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 2.6 | -176.9 | -70.2 | -168.3 | 152.7 | 0 | 0 | 116.2 | ||
| 539 | E | 38 | Very low | 40.9 | Very low | 198 Ų | 198 | 152.5 Ų | 152.5 | 93% | 0.925 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -6 | -176 | -75.6 | -159.3 | 161.4 | 0 | 0 | 116.3 | E537 | E537-E539 VanDerWaalsContact C-N 3.28Å; E537-E539 PolarHBondContact O-N 3.36Å; E537-E539 VanDerWaalsContact O-N 3.16Å |
| 540 | E | 40 | Very low | 39.3 | Very low | 190 Ų | 190 | 156.8 Ų | 156.8 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -114.5 | -8.8 | -174.3 | -62 | -158.9 | 151.5 | 0 | 0 | 117.1 | ||
| 541 | E | 36.3 | Very low | 38 | Very low | 184 Ų | 184 | 161 Ų | 161 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -104.6 | 19.6 | -173.6 | -78.5 | -77.4 | 161.2 | 0 | 0 | 115.4 | ||
| 542 | E | 31.4 | Very low | 36.7 | Very low | 191 Ų | 191 | 162.7 Ų | 162.7 | 89% | 0.893 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -96.5 | -0.8 | -175.9 | -82.6 | -154.4 | 147.2 | 0 | 0 | 117 | ||
| 543 | D | 34.1 | Very low | 35.8 | Very low | 155 Ų | 155 | 161.7 Ų | 161.7 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -115.5 | 14.1 | -164.9 | -151.1 | 29.5 | 0 | 0 | 0 | 116.8 | ||
| 544 | M | 28.4 | Very low | 35.5 | Very low | 168 Ų | 168 | 164.1 Ų | 164.1 | 83% | 0.828 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -136.9 | 135.7 | 178.9 | -69.4 | -69.7 | -79.4 | 0 | 0 | 113.9 | ||
| 545 | T | 32.8 | Very low | 35.1 | Very low | 138 Ų | 138 | 169.5 Ų | 169.5 | 85% | 0.847 | 85% | 0.848 | S | S | * | * | trans | 79.4 | 51 | 167.8 | 73.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 546 | E | 33.3 | Very low | 34.8 | Very low | 196 Ų | 196 | 169 Ų | 169 | 92% | 0.916 | 85% | 0.845 | S | S | * | * | trans | -106.6 | 98.6 | 146.2 | -83 | -158 | 153.7 | 0 | 0 | 112 | ||||
| 547 | E | 30.1 | Very low | 34.4 | Very low | 185 Ų | 185 | 168.2 Ų | 168.2 | 86% | 0.864 | 85% | 0.846 | S | S | * | * | trans | -170.2 | 129.7 | 150.6 | -106.2 | -177.4 | 158.4 | 0 | 0 | 108 | ||||
| 548 | S | 33.8 | Very low | 34 | Very low | 98 Ų | 98 | 163.9 Ų | 163.9 | 69% | 0.685 | 85% | 0.846 | S | S | * | * | 71.9 | 137.1 | 100.4 | -119.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 549 | E | 32.7 | Very low | 33.5 | Very low | 185 Ų | 185 | 159.7 Ų | 159.7 | 86% | 0.864 | 85% | 0.849 | S | S | * | * | cis | -144 | 169.2 | 18.4 | -68.1 | -176.8 | 147.7 | 0 | 0 | 112.9 | ||||
| 550 | E | 37.8 | Very low | 33.1 | Very low | 186 Ų | 186 | 158.2 Ų | 158.2 | 87% | 0.869 | 85% | 0.847 | S | S | * | * | trans | -97 | 139.2 | 162 | -57.7 | 177.9 | 146.3 | 0 | 0 | 109.4 | ||||
| 551 | E | 34.6 | Very low | 32.8 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 89% | 0.888 | 84% | 0.841 | S | S | * | * | trans | 163.1 | 148.4 | 138.7 | -92.2 | 178 | 176.2 | 0 | 0 | 113.6 | ||||
| 552 | D | 28.8 | Very low | 32.3 | Very low | 150 Ų | 150 | 147.9 Ų | 147.9 | 80% | 0.802 | 84% | 0.841 | S | S | * | * | trans | 37.4 | 134.1 | 152.1 | -107 | -3.3 | 0 | 0 | 0 | 121.2 | ||||
| 553 | V | 30.4 | Very low | 32.6 | Very low | 128 Ų | 128 | 148 Ų | 148 | 78% | 0.776 | 84% | 0.842 | S | S | * | * | cis | -155.3 | 144.2 | 46.7 | -77.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 554 | D | 35.3 | Very low | 32.2 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 88% | 0.877 | 85% | 0.848 | S | S | * | * | trans | -89 | 94 | 159.3 | -92.7 | -61.2 | 0 | 0 | 0 | 110.4 | ||||
| 555 | D | 33.2 | Very low | 32.7 | Very low | 144 Ų | 144 | 150.8 Ų | 150.8 | 77% | 0.77 | 85% | 0.847 | S | S | * | * | trans | -175.2 | 101.4 | 149.9 | -119.6 | -15.5 | 0 | 0 | 0 | 113.6 | ||||
| 556 | L | 36.2 | Very low | 32.7 | Very low | 163 Ų | 163 | 152.4 Ų | 152.4 | 85% | 0.853 | 85% | 0.845 | S | S | * | * | -171.6 | 94.1 | 118.6 | -128.8 | 76 | 0 | 0 | 0 | 112.6 | |||||
| 557 | L | 36 | Very low | 32.6 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 95% | 0.953 | 83% | 0.832 | S | S | * | * | trans | -89.1 | 112.1 | 163.1 | -81.6 | 170.9 | 0 | 0 | 0 | 110.7 | ||||
| 558 | G | 31.1 | Very low | 32.7 | Very low | 76 Ų | 76 | 147 Ų | 147 | 78% | 0.784 | 82% | 0.822 | S | S | * | * | trans | 117.8 | 135.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 559 | G | 30.1 | Very low | 32.5 | Very low | 83 Ų | 83 | 151 Ų | 151 | 86% | 0.856 | 83% | 0.829 | S | S | * | * | trans | -176.1 | 71 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 560 | D | 29.6 | Very low | 32.3 | Very low | 167 Ų | 167 | 151.4 Ų | 151.4 | 89% | 0.893 | 83% | 0.831 | S | S | * | * | trans | -77.1 | 125.5 | -178.9 | 176.4 | 34.9 | 0 | 0 | 0 | 112.4 | ||||
| 561 | G | 32.6 | Very low | 31.9 | Very low | 74 Ų | 74 | 151.9 Ų | 151.9 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | 70.2 | 114.9 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 562 | G | 26.6 | Very low | 31.5 | Very low | 82 Ų | 82 | 151.1 Ų | 151.1 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -172.6 | 103.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 563 | E | 36.3 | Very low | 31.3 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -84.6 | 141.1 | 167.1 | -62.3 | 170.1 | 168.9 | 0 | 0 | 109.7 | ||||
| 564 | E | 26.2 | Very low | 31.1 | Very low | 204 Ų | 204 | 146.9 Ų | 146.9 | 95% | 0.953 | 82% | 0.823 | S | S | * | * | trans | -114.1 | 104.4 | 160.7 | -72.9 | -160 | 164.3 | 0 | 0 | 110.1 | ||||
| 565 | E | 38.2 | Very low | 30.7 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -94.2 | 164.5 | 159 | -106 | -80.4 | -160.2 | 0 | 0 | 109.3 | ||||
| 566 | E | 34 | Very low | 30.6 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 81% | 0.808 | 82% | 0.821 | S | S | * | * | trans | -68 | 151.1 | -163.9 | -63.6 | -166.9 | 130.4 | 0 | 0 | 115.9 | ||||
| 567 | D | 31.4 | Very low | 30.1 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 63% | 0.626 | 81% | 0.814 | S | S | * | * | trans | 99.1 | 117.4 | 134.4 | -130.5 | 19.4 | 0 | 0 | 0 | 121.8 | ||||
| 568 | K | 32.3 | Very low | 29.9 | Very low | 151 Ų | 151 | 140 Ų | 140 | 66% | 0.657 | 80% | 0.801 | S | S | * | * | trans | 68.2 | 111.7 | 145.9 | -73.9 | 168.6 | -175.2 | 73.3 | 0 | 123.5 | ||||
| 569 | E | 28.8 | Very low | 29.8 | Very low | 180 Ų | 180 | 146.7 Ų | 146.7 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | 62.7 | 145 | 120.4 | -64.7 | -170.4 | 150.7 | 0 | 0 | 124 | |||||
| 570 | E | 29.2 | Very low | 29.6 | Very low | 195 Ų | 195 | 147 Ų | 147 | 91% | 0.911 | 79% | 0.791 | S | S | * | * | trans | 80.2 | 152.7 | 165.4 | -63.3 | -157.8 | 147.4 | 0 | 0 | 120.8 | ||||
| 571 | E | 29.1 | Very low | 29.8 | Very low | 196 Ų | 196 | 146.9 Ų | 146.9 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -96.8 | -169.2 | -168.1 | -55.7 | -174.5 | 116 | 0 | 0 | 113.5 | ||||
| 572 | E | 26.2 | Very low | 29.6 | Very low | 174 Ų | 174 | 148.4 Ų | 148.4 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | trans | 87.3 | 73.1 | 150.7 | -151.3 | 174.5 | -154.2 | 0 | 0 | 120 | ||||
| 573 | S | 25.3 | Very low | 30.6 | Very low | 102 Ų | 102 | 150 Ų | 150 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | 91.4 | 157.6 | 119.1 | 86.1 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 574 | A | 25.8 | Very low | 30.3 | Very low | 87 Ų | 87 | 145.7 Ų | 145.7 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | 70 | 66 | 140.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 575 | A | 26.3 | Very low | 30.7 | Very low | 88 Ų | 88 | 140 Ų | 140 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 24.2 | 135.9 | 123.4 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 576 | Q | 30.8 | Very low | 30.5 | Very low | 186 Ų | 186 | 140.1 Ų | 140.1 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | -171.9 | 150.9 | 122.3 | -109.7 | 162 | 90.1 | 0 | 0 | 115.9 | |||||
| 577 | S | 27.2 | Very low | 30.5 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 65.1 | 120.4 | 155.3 | -73.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 578 | I | 31.3 | Very low | 30.4 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 68% | 0.677 | 78% | 0.778 | S | S | * | * | cis | -158.5 | -179.8 | -0.6 | 12.2 | 164.1 | 0 | 0 | 0 | 107.6 | ||||
| 579 | R | 27.7 | Very low | 30.2 | Very low | 217 Ų | 217 | 138 Ų | 138 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | cis | -155.9 | 179.8 | 28.3 | -145.8 | 163.8 | -166.6 | 134.8 | 7.4 | 114.4 | ||||
| 580 | S | 27.4 | Very low | 30.2 | Very low | 89 Ų | 89 | 139.3 Ų | 139.3 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | -99.1 | 163.4 | -177.1 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 581 | L | 33 | Very low | 30.1 | Very low | 165 Ų | 165 | 139 Ų | 139 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | cis | -169.2 | -172.1 | -11.3 | -102.2 | 169.7 | 0 | 0 | 0 | 105.9 | ||||
| 582 | S | 28.7 | Very low | 29.8 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | cis | -160.6 | 171.9 | 23 | 68 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 583 | P | 47.6 | Very low | 29.9 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -126.1 | 172.5 | -158.4 | 43.3 | -31.7 | 0 | 0 | 0 | 118.3 | ||||
| 584 | A | 29 | Very low | 30.1 | Very low | 104 Ų | 104 | 136.5 Ų | 136.5 | 86% | 0.86 | 75% | 0.752 | S | S | * | * | 142.8 | 135.1 | 128.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 585 | A | 34.5 | Very low | 30.3 | Very low | 85 Ų | 85 | 135.6 Ų | 135.6 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | trans | -80.8 | 169.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 586 | Q | 34.9 | Very low | 31 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | 178.3 | 125 | 120.9 | -98.7 | 163 | 104.1 | 0 | 0 | 117.7 | |||||
| 587 | T | 33.3 | Very low | 31.6 | Very low | 119 Ų | 119 | 135.5 Ų | 135.5 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | trans | 53.7 | 146.7 | 136.3 | 63.4 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 588 | L | 30.6 | Very low | 31.9 | Very low | 164 Ų | 164 | 135.1 Ų | 135.1 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | trans | 97.8 | 125.2 | 145.1 | -84.4 | 169.4 | 0 | 0 | 0 | 123.1 | ||||
| 589 | D | 27.7 | Very low | 32 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 62% | 0.615 | 74% | 0.741 | S | S | * | * | trans | 57.5 | 154 | 138.5 | -160.4 | 24.6 | 0 | 0 | 0 | 122.1 | ||||
| 590 | R | 28.5 | Very low | 32.8 | Very low | 207 Ų | 207 | 134.9 Ų | 134.9 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | trans | 107.8 | 130.4 | 141.7 | -136.2 | 74.8 | 171.5 | -163.1 | -7.4 | 121.1 | ||||
| 591 | F | 26.1 | Very low | 33.4 | Very low | 187 Ų | 187 | 137 Ų | 137 | 82% | 0.82 | 76% | 0.755 | S | S | * | * | trans | -62.7 | 160.9 | 161 | -64.7 | -106.2 | 0 | 0 | 0 | 114 | ||||
| 592 | H | 24.9 | Very low | 33.2 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 67% | 0.671 | 75% | 0.752 | S | S | * | * | 112.4 | 113.3 | 124.1 | -123.9 | 36.2 | 0 | 0 | 0 | 119.4 | |||||
| 593 | M | 26.8 | Very low | 33 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 65% | 0.645 | 76% | 0.758 | S | S | * | * | trans | 74 | 132.4 | 142.4 | -70.2 | -176.2 | 68.9 | 0 | 0 | 121.7 | ||||
| 594 | D | 30.3 | Very low | 32.2 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | 52.5 | 122.7 | 141.4 | -52.3 | 8.8 | 0 | 0 | 0 | 120.1 | ||||
| 595 | G | 30.2 | Very low | 32.2 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 155.3 | 56.1 | 159.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 596 | T | 40.1 | Very low | 32 | Very low | 129 Ų | 129 | 136.2 Ų | 136.2 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | 24.2 | 112.9 | 128 | -55 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 597 | L | 43.5 | Very low | 32 | Very low | 143 Ų | 143 | 139 Ų | 139 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 80.4 | 127.5 | 160.2 | -55.9 | 162 | 0 | 0 | 0 | 119.9 | ||||
| 598 | M | 33.3 | Very low | 32 | Very low | 92 Ų | 92 | 139.4 Ų | 139.4 | 45% | 0.453 | 77% | 0.77 | S | S | . | * | 164.5 | 143.2 | 104.4 | -85.6 | -58.5 | -98.6 | 0 | 0 | 116.1 | L348 L349 | L348-M598 HydrophobicContact CD1-CE 3.73Å; L348-M598 HydrophobicContact CD1-SD 3.89Å; L349-M598 HydrophobicContact CD1-CE 3.84Å; L349-M598 HydrophobicContact CD2-CE 3.64Å; L349-M598 HydrophobicContact CG-CE 4.31Å | |||
| 599 | L | 33.5 | Very low | 31.9 | Very low | 147 Ų | 147 | 135 Ų | 135 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 70.5 | 143.5 | 147.3 | -70.9 | 165.3 | 0 | 0 | 0 | 123.9 | ||||
| 600 | F | 45.8 | Very low | 32 | Very low | 198 Ų | 198 | 137.6 Ų | 137.6 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | trans | -89.2 | 172 | 168.7 | -68.4 | -97 | 0 | 0 | 0 | 112.4 | ||||
| 601 | P | 38.1 | Very low | 32.1 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | -141.2 | 136.6 | 113.9 | 35.6 | -22 | 0 | 0 | 0 | 114.6 | |||||
| 602 | G | 28.8 | Very low | 32.4 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -104.5 | -168.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 603 | S | 25.4 | Very low | 32.7 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | -155.1 | 151.3 | 170.7 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 604 | S | 30.2 | Very low | 33 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -86.7 | 155.1 | -171.3 | -38.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 605 | C | 29.1 | Very low | 32.9 | Very low | 128 Ų | 128 | 133 Ų | 133 | 87% | 0.865 | 79% | 0.788 | S | S | * | * | trans | -151 | 166.7 | 130.1 | 78.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 606 | S | 30.6 | Very low | 32.7 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -144.8 | 144.1 | -172.4 | -47 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 607 | R | 35.3 | Very low | 32.9 | Very low | 237 Ų | 237 | 132 Ų | 132 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | -155.1 | 139 | 165.2 | -91.7 | 170.8 | 65.4 | -177.8 | -2 | 109.1 | ||||
| 608 | T | 32.4 | Very low | 32.1 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | 176.7 | 142.1 | -32.9 | 23.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 609 | G | 29.9 | Very low | 31.9 | Very low | 72 Ų | 72 | 133.8 Ų | 133.8 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 100.8 | 110.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 610 | D | 28.3 | Very low | 31.6 | Very low | 169 Ų | 169 | 132.3 Ų | 132.3 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | cis | 64.2 | 111 | 39 | -160 | 11.9 | 0 | 0 | 0 | 112.8 | ||||
| 611 | G | 32.1 | Very low | 30.7 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -176.6 | 48.2 | -159.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 612 | L | 30.8 | Very low | 30.3 | Very low | 130 Ų | 130 | 129 Ų | 129 | 68% | 0.681 | 79% | 0.792 | S | S | * | * | trans | -66.1 | 141.3 | -176.5 | -172.4 | 69.3 | 0 | 0 | 0 | 113.5 | ||||
| 613 | R | 32.6 | Very low | 30.5 | Very low | 200 Ų | 200 | 129.9 Ų | 129.9 | 76% | 0.755 | 78% | 0.782 | S | S | * | * | trans | 113.3 | 112.4 | 153 | -59.4 | 177 | -146.2 | -61 | -7.3 | 118.4 | ||||
| 614 | K | 32.3 | Very low | 30.7 | Very low | 195 Ų | 195 | 131.5 Ų | 131.5 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | 59.5 | 153.2 | 132.1 | -73.8 | -167.2 | 170.3 | -166.8 | 0 | 121.5 | ||||
| 615 | S | 29.1 | Very low | 30.7 | Very low | 118 Ų | 118 | 134.1 Ų | 134.1 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | trans | 76.7 | 131.3 | 167.7 | -10.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 616 | G | 25.7 | Very low | 30.7 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | -87.3 | -158.1 | 149.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 617 | P | 43.2 | Very low | 30.6 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 70% | 0.701 | 76% | 0.763 | S | S | * | * | cis | -132.1 | -171.9 | 12.8 | 44.5 | -29.2 | 0 | 0 | 0 | 114.9 | ||||
| 618 | D | 27.7 | Very low | 30.5 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 68.1 | 152.1 | 149.6 | -54.5 | -30.5 | 0 | 0 | 0 | 123.9 | ||||
| 619 | V | 28.9 | Very low | 30.9 | Very low | 132 Ų | 132 | 130.1 Ų | 130.1 | 80% | 0.8 | 76% | 0.76 | S | S | * | * | trans | 72 | 128.9 | 159.7 | -145.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 620 | S | 27.2 | Very low | 31.1 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | 68.6 | 149.6 | 159.6 | 67.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 621 | G | 27.7 | Very low | 31.2 | Very low | 65 Ų | 65 | 130.5 Ų | 130.5 | 67% | 0.67 | 75% | 0.753 | S | S | * | * | cis | 153.8 | 167.3 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 622 | K | 29.1 | Very low | 31.3 | Very low | 196 Ų | 196 | 131.6 Ų | 131.6 | 85% | 0.852 | 75% | 0.748 | S | S | * | * | trans | 70.9 | 120.1 | -179 | -67.1 | -164.9 | 172.1 | -159.1 | 0 | 114.3 | ||||
| 623 | T | 32.1 | Very low | 31.6 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 59% | 0.589 | 75% | 0.753 | S | S | * | * | 78.2 | 139.7 | 65.7 | 71.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 624 | E | 29.9 | Very low | 31.8 | Very low | 158 Ų | 158 | 131.4 Ų | 131.4 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | trans | 60.8 | 152.8 | -179.3 | -64.4 | 80 | -128.3 | 0 | 0 | 115.1 | ||||
| 625 | E | 31.2 | Very low | 32.5 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | cis | -155 | 165.3 | 1.6 | -137.5 | 167.2 | 176.6 | 0 | 0 | 112.3 | ||||
| 626 | D | 28.8 | Very low | 33.1 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 75.2 | 147.5 | 144.2 | -154.2 | 6.2 | 0 | 0 | 0 | 122.3 | ||||
| 627 | S | 28.9 | Very low | 33.7 | Very low | 90 Ų | 90 | 130.1 Ų | 130.1 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | trans | 66 | 100.6 | 146.6 | -83.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 628 | S | 32.9 | Very low | 33.2 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | 147.4 | 156.5 | 86.4 | 60.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 629 | H | 40.7 | Very low | 33.5 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 79% | 0.787 | 77% | 0.767 | S | S | * | * | trans | -69.8 | 148.3 | -177 | -43.2 | -91.5 | 0 | 0 | 0 | 113.9 | ||||
| 630 | N | 33.3 | Very low | 34.2 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 77% | 0.77 | S | S | * | * | 170.4 | 123.2 | 112.2 | -89.3 | -65.4 | 0 | 0 | 0 | 109.1 | |||||
| 631 | S | 32.2 | Very low | 34.4 | Very low | 101 Ų | 101 | 135.1 Ų | 135.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | 78.1 | 99 | 65.6 | -162.4 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 632 | S | 33.8 | Very low | 34.6 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | trans | 80.8 | 129.5 | 140.6 | -138.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 633 | L | 35.9 | Very low | 34.6 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | 61.5 | 111.7 | 149.6 | -67.1 | 161.6 | 0 | 0 | 0 | 120.5 | ||||
| 634 | E | 37 | Very low | 34.7 | Very low | 175 Ų | 175 | 140.5 Ų | 140.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -137.8 | 139.4 | 122.9 | -88 | -135.5 | 150.2 | 0 | 0 | 112.2 | |||||
| 635 | L | 46.7 | Very low | 34.9 | Very low | 169 Ų | 169 | 139 Ų | 139 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -117.4 | 116.3 | 160.1 | -86.6 | 171.9 | 0 | 0 | 0 | 108 | ||||
| 636 | P | 41.9 | Very low | 34.8 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -114.9 | 127.6 | 159.6 | 33.5 | -24.1 | 0 | 0 | 0 | 111.3 | ||||
| 637 | G | 38.9 | Very low | 34.9 | Very low | 73 Ų | 73 | 136.8 Ų | 136.8 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | trans | -106.9 | 148 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 638 | S | 33.3 | Very low | 35.1 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | 68.7 | 121.4 | 166.7 | -176.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 639 | M | 33.8 | Very low | 35.1 | Very low | 180 Ų | 180 | 143 Ų | 143 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | -177.2 | 158.1 | 112.6 | -92.5 | -71.3 | -99.3 | 0 | 0 | 110.9 | |||||
| 640 | L | 43.5 | Very low | 34.5 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -86.2 | 143.6 | -179.5 | -71.6 | 156.3 | 0 | 0 | 0 | 112.2 | ||||
| 641 | T | 31.1 | Very low | 34.5 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | trans | -133 | 159.3 | 150.2 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 642 | S | 31 | Very low | 34.4 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | trans | -121.3 | 157.4 | 178.4 | 55.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 643 | Y | 29 | Very low | 34.3 | Very low | 212 Ų | 212 | 144.5 Ų | 144.5 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | -167.8 | 177.3 | 122.3 | -121.5 | -97.2 | 0 | 0 | 0 | 112 | |||||
| 644 | Q | 34.4 | Very low | 34.3 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 74% | 0.738 | 81% | 0.811 | S | S | * | * | trans | -104.4 | 152.3 | -164.7 | -54.9 | 173.6 | -89.2 | 0 | 0 | 113.8 | ||||
| 645 | P | 35.6 | Very low | 33.9 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -75.1 | 150.9 | 166.5 | 32.2 | -34.9 | 0 | 0 | 0 | 112.5 | ||||
| 646 | V | 28.9 | Very low | 33.7 | Very low | 143 Ų | 143 | 141.2 Ų | 141.2 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -95.3 | 151.5 | 178.6 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 647 | N | 31.1 | Very low | 33.1 | Very low | 128 Ų | 128 | 144.3 Ų | 144.3 | 68% | 0.684 | 80% | 0.801 | S | S | * | * | trans | -126.3 | 134.4 | -168.9 | 169.5 | 2.7 | 0 | 0 | 0 | 111.8 | ||||
| 648 | Q | 31.7 | Very low | 32.6 | Very low | 180 Ų | 180 | 145.3 Ų | 145.3 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -158.2 | 157.5 | 163.6 | -98.2 | 178.3 | 92.8 | 0 | 0 | 111.2 | ||||
| 649 | Q | 32.8 | Very low | 32.5 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | -171.9 | 131.5 | -55.8 | -118.4 | -168.9 | 21.8 | 0 | 0 | 111.2 | |||||
| 650 | R | 29.2 | Very low | 32.4 | Very low | 258 Ų | 258 | 138.7 Ų | 138.7 | 97% | 0.974 | 78% | 0.783 | S | S | * | * | trans | 155.4 | 145.3 | 151.5 | -89.8 | 163.6 | -169.1 | -143.3 | 5.8 | 110.2 | ||||
| 651 | G | 33.8 | Very low | 32 | Very low | 69 Ų | 69 | 134.8 Ų | 134.8 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | cis | 164 | 149.2 | -14.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 652 | A | 30.2 | Very low | 32.3 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 85% | 0.851 | 77% | 0.768 | S | S | * | * | trans | 78.8 | 146.8 | 166 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 653 | T | 31.6 | Very low | 32.5 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | cis | -149.3 | 159.3 | 0.6 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 654 | R | 35.1 | Very low | 32.5 | Very low | 250 Ų | 250 | 135.8 Ų | 135.8 | 94% | 0.943 | 77% | 0.77 | S | S | * | * | trans | 69.6 | 148.6 | 148.9 | -76.8 | 173 | 173.2 | 175.3 | -1.6 | 122.9 | ||||
| 655 | G | 27.5 | Very low | 33.2 | Very low | 69 Ų | 69 | 133.5 Ų | 133.5 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -125.5 | -140.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 656 | P | 43.9 | Very low | 32.6 | Very low | 106 Ų | 106 | 133 Ų | 133 | 69% | 0.688 | 77% | 0.768 | S | S | * | * | cis | -145.1 | -168.2 | 4.2 | 28.8 | -0.9 | 0 | 0 | 0 | 117.1 | ||||
| 657 | H | 28.6 | Very low | 33.8 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | trans | 78 | 138.5 | 166.9 | -54.3 | -61.3 | 0 | 0 | 0 | 118.5 | ||||
| 658 | A | 29.2 | Very low | 33.7 | Very low | 94 Ų | 94 | 131 Ų | 131 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | cis | 108.6 | 143.2 | 23.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 659 | A | 31.1 | Very low | 33.7 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 65% | 0.645 | 77% | 0.767 | S | S | * | * | cis | -160.5 | -158.8 | -4.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q278 | Q278-A659 PolarHBondContact NE2-O 3.21Å; Q278-A659 PolarHBondContact OE1-O 3Å | ||
| 660 | A | 32.2 | Very low | 33.6 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | trans | -83.8 | -167.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q278 | Q278-A660 VanDerWaalsContact OE1-CA 3.27Š| ||
| 661 | A | 34.1 | Very low | 33.9 | Very low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | cis | -165.1 | 148.4 | 17 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 662 | L | 37.5 | Very low | 34 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 76% | 0.764 | 77% | 0.766 | S | S | * | * | 80.7 | 161.3 | 97.4 | -67.8 | -179.2 | 0 | 0 | 0 | 120.8 | A275 | A275-L662 HydrophobicContact CB-CD2 4.13Š| |||
| 663 | R | 34.7 | Very low | 33.9 | Very low | 238 Ų | 238 | 132.5 Ų | 132.5 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | trans | 81.1 | 152.5 | 167.1 | -80.8 | -168.9 | 142.8 | 95.9 | -2.9 | 119.8 | ||||
| 664 | S | 30.1 | Very low | 33.9 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | cis | -160.8 | -139.4 | -23.7 | 45.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 665 | P | 48.3 | Very low | 33.8 | Very low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 75% | 0.747 | S | S | * | * | -138.1 | 167 | -104.6 | 43.4 | -25.1 | 0 | 0 | 0 | 120.9 | |||||
| 666 | S | 24.2 | Very low | 33.8 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 60.6 | 178.6 | 148.8 | -112.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 667 | P | 53.5 | Low | 33.2 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | cis | -129.9 | -147.8 | -10.1 | 39.7 | -19 | 0 | 0 | 0 | 115.3 | ||||
| 668 | C | 28.2 | Very low | 33.1 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 74% | 0.736 | 76% | 0.758 | S | S | * | * | trans | -114.6 | 175.3 | -158.6 | -41.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 669 | F | 32.4 | Very low | 33 | Very low | 194 Ų | 194 | 127.5 Ų | 127.5 | 85% | 0.851 | 76% | 0.761 | S | S | * | * | trans | -152.8 | 139.5 | 150.1 | -88.9 | -53.2 | 0 | 0 | 0 | 116.9 | ||||
| 670 | F | 30.5 | Very low | 33.1 | Very low | 187 Ų | 187 | 133.3 Ų | 133.3 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | trans | 52.1 | 133.3 | 156.6 | -75.9 | -77.3 | 0 | 0 | 0 | 126.7 | ||||
| 671 | R | 34.9 | Very low | 33.1 | Very low | 214 Ų | 214 | 134.7 Ų | 134.7 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -115.1 | 164 | 149.6 | -64.7 | 179.2 | 168.6 | -173.8 | -2.8 | 108.6 | ||||
| 672 | P | 36.8 | Very low | 32.9 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | -138.1 | 158.5 | 87.9 | 23.6 | -1.7 | 0 | 0 | 0 | 112.6 | |||||
| 673 | S | 27.3 | Very low | 32.6 | Very low | 85 Ų | 85 | 133.3 Ų | 133.3 | 59% | 0.594 | 79% | 0.785 | S | S | * | * | cis | 71.2 | 136.2 | 48.1 | -64.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 674 | I | 31.8 | Very low | 32.7 | Very low | 141 Ų | 141 | 133.7 Ų | 133.7 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | cis | -158.5 | 148.1 | 3.7 | -121.7 | 165.4 | 0 | 0 | 0 | 112.7 | ||||
| 675 | L | 34 | Very low | 32.8 | Very low | 155 Ų | 155 | 137 Ų | 137 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | 30.9 | 139.3 | 154 | -55.9 | 167.3 | 0 | 0 | 0 | 123.9 | ||||
| 676 | G | 26.1 | Very low | 32 | Very low | 79 Ų | 79 | 137.1 Ų | 137.1 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | trans | -154.1 | 112.6 | 149 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 677 | S | 31.1 | Very low | 33.1 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -90 | 129.9 | -171.2 | -61 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 678 | A | 26.8 | Very low | 32.7 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -152.6 | 109.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 679 | S | 28 | Very low | 33 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | 20.8 | 106.8 | 147.7 | -52.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 680 | K | 33.3 | Very low | 33.2 | Very low | 200 Ų | 200 | 138 Ų | 138 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | -166.5 | 145.2 | 112.1 | -105.6 | 172 | -177.5 | -178.8 | 0 | 111.9 | |||||
| 681 | S | 31.9 | Very low | 33.3 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | 27.8 | 111.6 | 163 | 50.6 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 682 | S | 29.8 | Very low | 33.4 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | 59.3 | 120 | 70.3 | -165.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 683 | G | 30.1 | Very low | 33.5 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | cis | -170.8 | 168.6 | -1.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 684 | R | 37.6 | Very low | 33.9 | Very low | 246 Ų | 246 | 134.7 Ų | 134.7 | 93% | 0.928 | 81% | 0.81 | S | S | * | * | trans | -90.9 | 142 | 165.5 | -75.3 | -79.3 | -167.9 | 161.4 | 2.2 | 108.7 | ||||
| 685 | L | 31.6 | Very low | 34.3 | Very low | 163 Ų | 163 | 137.1 Ų | 137.1 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | 179.1 | 144.5 | 128.9 | -95.2 | 174.6 | 0 | 0 | 0 | 110.1 | |||||
| 686 | S | 31.1 | Very low | 34.3 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | trans | 40.1 | 131.9 | 157.2 | 53 | 0 | 0 | 0 | 0 | 123 | ||||
| 687 | E | 47.2 | Very low | 35.1 | Very low | 184 Ų | 184 | 138.5 Ų | 138.5 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -64.6 | 178.1 | 158.1 | -71 | -166.1 | 147.6 | 0 | 0 | 112.7 | ||||
| 688 | P | 47 | Very low | 35.5 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | cis | -146.9 | -174.8 | 21.3 | 45.3 | -25 | 0 | 0 | 0 | 119.8 | ||||
| 689 | S | 34.7 | Very low | 36.8 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | trans | 78.8 | 146.2 | 151.8 | -57.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 690 | L | 36.3 | Very low | 37.2 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | -166.6 | 112.9 | -70.5 | -104.3 | 171.4 | 0 | 0 | 0 | 110.6 | |||||
| 691 | C | 32.1 | Very low | 37.2 | Very low | 124 Ų | 124 | 145.4 Ų | 145.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -170.8 | 134 | 158.4 | -103.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 692 | L | 35.8 | Very low | 37.5 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | trans | -143.6 | 149.8 | 176 | -77.3 | 178 | 0 | 0 | 0 | 111.7 | ||||
| 693 | P | 39.7 | Very low | 38 | Very low | 123 Ų | 123 | 144.2 Ų | 144.2 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -70.4 | 158.8 | 171.6 | -13.6 | 29.8 | 0 | 0 | 0 | 112.4 | ||||
| 694 | V | 34.8 | Very low | 38.4 | Very low | 129 Ų | 129 | 146.7 Ų | 146.7 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | trans | -93.1 | 123.9 | 172.7 | 175.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 695 | E | 40.5 | Very low | 38.2 | Very low | 191 Ų | 191 | 140.8 Ų | 140.8 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | trans | 175.7 | 134.9 | 137.9 | -97.7 | 152.5 | -160.5 | 0 | 0 | 113.1 | ||||
| 696 | D | 34 | Very low | 38.7 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | 110.5 | 94.3 | 151.4 | -155.6 | 18.4 | 0 | 0 | 0 | 119 | ||||
| 697 | S | 42.7 | Very low | 39 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -155.2 | 97.8 | 144.8 | 62.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 698 | Q | 41.2 | Very low | 38.2 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -66.7 | 144.1 | 168.1 | -65.9 | -179.8 | -4.6 | 0 | 0 | 111.2 | ||||
| 699 | D | 52.5 | Low | 37.5 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | 60.4 | 114.8 | 157.5 | -161.8 | 13.9 | 0 | 0 | 0 | 119.4 | ||||
| 700 | L | 37.7 | Very low | 37.3 | Very low | 149 Ų | 149 | 132 Ų | 132 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | trans | -168.1 | 117.7 | 144.3 | -106.2 | 158.5 | 0 | 0 | 0 | 110.8 | ||||
| 701 | Y | 33.8 | Very low | 37 | Very low | 207 Ų | 207 | 130.5 Ų | 130.5 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | 68.8 | 89.5 | 171.5 | -69.2 | -73 | 0 | 0 | 0 | 119.1 | ||||
| 702 | A | 38.5 | Very low | 36.7 | Very low | 87 Ų | 87 | 128 Ų | 128 | 72% | 0.719 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 146.9 | 143 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 703 | P | 39.9 | Very low | 36.9 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 147.3 | 167 | 32.4 | -33 | 0 | 0 | 0 | 111.5 | ||
| 704 | P | 38.4 | Very low | 36.3 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 154.1 | -167.9 | 36.5 | -36.5 | 0 | 0 | 0 | 115.5 | ||
| 705 | S | 33.6 | Very low | 36.1 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 136.8 | 162.4 | -52.9 | 0 | 0 | 0 | 0 | 111.6 | ||
| 706 | P | 42.1 | Very low | 35.4 | Very low | 128 Ų | 128 | 124.6 Ų | 124.6 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 155.7 | 158.5 | 36.5 | -29.5 | 0 | 0 | 0 | 111.1 | ||
| 707 | G | 36 | Very low | 35.1 | Very low | 72 Ų | 72 | 121 Ų | 121 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | cis | 174.2 | 166.5 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 708 | A | 30.9 | Very low | 34.4 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -158.4 | 143.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 709 | A | 32.2 | Very low | 34 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | cis | -156.3 | 172.1 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 710 | A | 31.2 | Very low | 33 | Very low | 92 Ų | 92 | 121.3 Ų | 121.3 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | 66.1 | 109.3 | 150.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 711 | S | 30 | Very low | 32.6 | Very low | 128 Ų | 128 | 118.8 Ų | 118.8 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | 165.1 | 133.6 | 121 | -73.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 712 | G | 25.3 | Very low | 32.6 | Very low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | trans | -99.3 | -151.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 713 | P | 39.8 | Very low | 31.9 | Very low | 124 Ų | 124 | 126 Ų | 126 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | cis | -137 | -158.3 | -5.3 | 27.8 | -2.1 | 0 | 0 | 0 | 114 | ||||
| 714 | V | 27.7 | Very low | 31.4 | Very low | 121 Ų | 121 | 125.7 Ų | 125.7 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | trans | 109.5 | 112.4 | 148.7 | -177 | 0 | 0 | 0 | 0 | 121 | ||||
| 715 | L | 29.3 | Very low | 31.1 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | 76.5 | 106.7 | 147.9 | -70.2 | 169.3 | 0 | 0 | 0 | 125.8 | ||||
| 716 | V | 27 | Very low | 31.2 | Very low | 136 Ų | 136 | 128.7 Ų | 128.7 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | 60.9 | 137.5 | 113.8 | 169.7 | 0 | 0 | 0 | 0 | 123 | |||||
| 717 | G | 28.1 | Very low | 31.2 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 159.6 | 53.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 718 | D | 26.5 | Very low | 31.2 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 16.8 | 125.3 | 155.5 | -59.9 | -21.5 | 0 | 0 | 0 | 125.3 | ||||
| 719 | S | 33.1 | Very low | 31.5 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | 72.8 | 160 | 130.9 | 83.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 720 | Q | 32.1 | Very low | 31.8 | Very low | 186 Ų | 186 | 138.4 Ų | 138.4 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | cis | -155.2 | 163.6 | 1.2 | -153.4 | -178.6 | 0 | 0 | 0 | 112.1 | ||||
| 721 | A | 29.3 | Very low | 32.6 | Very low | 96 Ų | 96 | 139.6 Ų | 139.6 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | trans | 78.8 | 152.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 722 | R | 33.3 | Very low | 33.7 | Very low | 234 Ų | 234 | 142.6 Ų | 142.6 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | -149.7 | 154.1 | -168.1 | -54 | 170.6 | 91.1 | 152.5 | 4.4 | 111.3 | ||||
| 723 | F | 25.1 | Very low | 35.3 | Very low | 212 Ų | 212 | 145.2 Ų | 145.2 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | trans | -148.5 | 150.2 | 143.6 | -95.7 | -75.8 | 0 | 0 | 0 | 108.4 | ||||
| 724 | C | 29.4 | Very low | 36.5 | Very low | 114 Ų | 114 | 144.2 Ų | 144.2 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -83.4 | 168.3 | -175.1 | -57.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 725 | L | 32.2 | Very low | 38.3 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 78% | 0.775 | 77% | 0.772 | S | S | * | * | cis | -106.5 | -138.6 | 8.2 | -146.9 | 25.7 | 0 | 0 | 0 | 109.7 | ||||
| 726 | E | 34.3 | Very low | 39.5 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | -157 | 154.9 | 5.3 | -147.8 | 147 | -94.5 | 0 | 0 | 110 | ||||
| 727 | D | 41.9 | Very low | 41 | Very low | 159 Ų | 159 | 142 Ų | 142 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 16 | 102.1 | 170.6 | -72.2 | -6.9 | 0 | 0 | 0 | 120.4 | ||||
| 728 | E | 36 | Very low | 42.5 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | trans | -151.3 | 95.6 | 157.3 | -170.8 | 92.3 | -104.3 | 0 | 0 | 112.3 | ||||
| 729 | V | 37 | Very low | 43.9 | Very low | 102 Ų | 102 | 142 Ų | 142 | 62% | 0.618 | 76% | 0.763 | S | S | * | * | trans | 51 | 125.8 | 134.2 | -167 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 730 | Q | 38.8 | Very low | 45 | Very low | 163 Ų | 163 | 141.9 Ų | 141.9 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 72 | 120.4 | 150.7 | -75.7 | 161 | 0.2 | 0 | 0 | 123.5 | ||||
| 731 | S | 47.9 | Very low | 46.3 | Very low | 117 Ų | 117 | 138 Ų | 138 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | 31.9 | 115.1 | 127.5 | -51.7 | 0 | 0 | 0 | 0 | 121 | |||||
| 732 | Q | 54.7 | Low | 47.2 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | -136.8 | 96.3 | 162.6 | -66.1 | -180 | 18.4 | 0 | 0 | 110.5 | ||||
| 733 | L | 58.5 | Low | 47.5 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -132.6 | -12.1 | 176.2 | -168.9 | 61 | 0 | 0 | 0 | 113.1 | L740 | L733-L740 HydrophobicContact CD1-CD2 3.96Å; L733-L740 HydrophobicContact CD2-CD2 4.32Å; L733-L740 HydrophobicContact CG-CD2 3.77Å |
| 734 | L | 65 | Low | 48 | Very low | 104 Ų | 104 | 127 Ų | 127 | 55% | 0.545 | 72% | 0.723 | S | S | . | * | B | Isolated β-bridge | trans | -125.6 | 138.1 | 174.7 | -53.8 | 174.5 | 0 | 0 | 0 | 108 | F739 L740 | L734-F739 VanDerWaalsContact CA-O 3.3Å; L734-F739 WeakPolarHBondContact CA-O 3.49Å; L734-L740 HydrophobicContact CD2-CB 4.4Å; L734-L740 HydrophobicContact CD2-CG 3.93Å |
| 735 | D | 65.2 | Low | 48.5 | Very low | 105 Ų | 105 | 132.8 Ų | 132.8 | 56% | 0.561 | 73% | 0.728 | S | S | * | * | trans | -76.4 | 175.3 | 170.3 | -105.6 | 26.4 | 0 | 0 | 0 | 111.3 | D737 G738 F739 N741 | D735-D737 PolarHBondContact O-N 3.24Å; D735-G738 PolarHBondContact O-N 3.36Å; D735-F739 PolarHBondContact N-O 2.92Å; D735-N741 WeakPolarHBondContact CB-OD1 3.42Å; D735-N741 VanDerWaalsContact CG-OD1 3.28Å; D735-N741 PolarHBondContact OD1-ND2 3.4Å; D735-N741 PolarHBondContact OD1-OD1 3.17Å | ||
| 736 | A | 54.3 | Low | 48.7 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 88% | 0.884 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -20.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 737 | D | 58.4 | Low | 48.5 | Very low | 149 Ų | 149 | 127.1 Ų | 127.1 | 80% | 0.797 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 8.6 | 176.5 | -62.6 | -41.6 | 0 | 0 | 0 | 113.5 | D735 | D735-D737 PolarHBondContact O-N 3.24Š|
| 738 | G | 60.3 | Low | 48.1 | Very low | 48 Ų | 48 | 126.3 Ų | 126.3 | 50% | 0.495 | 73% | 0.727 | S | S | . | * | S | Bend | trans | 88.3 | 5.8 | 164 | 0 | 0 | 0 | 0 | 0 | 117.5 | D735 | D735-G738 PolarHBondContact O-N 3.36Š|
| 739 | F | 54.9 | Low | 47.7 | Very low | 169 Ų | 169 | 122.5 Ų | 122.5 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | trans | -97.7 | 153.7 | 176 | -73.3 | -89 | 0 | 0 | 0 | 112.9 | L734 D735 | L734-F739 VanDerWaalsContact CA-O 3.3Å; L734-F739 WeakPolarHBondContact CA-O 3.49Å; D735-F739 PolarHBondContact N-O 2.92Å | ||
| 740 | L | 56.9 | Low | 47.4 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 58% | 0.581 | 73% | 0.733 | S | S | * | * | B | Isolated β-bridge | trans | -63.5 | 133.1 | 173.7 | -98.8 | 155.1 | 0 | 0 | 0 | 111.2 | L733 L734 V742 | L733-L740 HydrophobicContact CD1-CD2 3.96Å; L733-L740 HydrophobicContact CD2-CD2 4.32Å; L733-L740 HydrophobicContact CG-CD2 3.77Å; L734-L740 HydrophobicContact CD2-CB 4.4Å; L734-L740 HydrophobicContact CD2-CG 3.93Å; L740-V742 WeakPolarHBondContact O-CG2 3.5Å; L740-V742 PolarHBondContact O-N 2.88Å |
| 741 | N | 58.2 | Low | 47.4 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 55% | 0.551 | 73% | 0.733 | S | S | * | * | trans | -74.9 | 84.8 | 178.7 | -84 | -11.2 | 0 | 0 | 0 | 112.4 | D735 | D735-N741 WeakPolarHBondContact CB-OD1 3.42Å; D735-N741 VanDerWaalsContact CG-OD1 3.28Å; D735-N741 PolarHBondContact OD1-ND2 3.4Å; D735-N741 PolarHBondContact OD1-OD1 3.17Å | ||
| 742 | V | 48.9 | Very low | 46.8 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -96.3 | 127.9 | 166.3 | -131.8 | 0 | 0 | 0 | 0 | 109 | L740 | L740-V742 WeakPolarHBondContact O-CG2 3.5Å; L740-V742 PolarHBondContact O-N 2.88Å | ||
| 743 | G | 40.8 | Very low | 45.9 | Very low | 68 Ų | 68 | 129.9 Ų | 129.9 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | -64.8 | 172.5 | -163.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 744 | S | 34.2 | Very low | 44.7 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | cis | -165.3 | 150.2 | 49.4 | -68.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 745 | R | 40.6 | Very low | 43.1 | Very low | 234 Ų | 234 | 133.9 Ų | 133.9 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | 33 | 135.6 | 136.3 | -54.2 | 179.6 | -170.8 | -101.9 | 2.7 | 119.2 | ||||
| 746 | P | 35.2 | Very low | 41.6 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | -134.8 | 171.8 | 55.9 | 31.6 | -11.2 | 0 | 0 | 0 | 113.3 | |||||
| 747 | G | 30.8 | Very low | 40.6 | Very low | 62 Ų | 62 | 137.5 Ų | 137.5 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | cis | 106.7 | 110.6 | 34.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 748 | T | 32.9 | Very low | 39.4 | Very low | 142 Ų | 142 | 135.6 Ų | 135.6 | 87% | 0.871 | 75% | 0.746 | S | S | * | * | 167 | 162.9 | 98.9 | 40.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 749 | S | 28.6 | Very low | 38.6 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | cis | -166 | 144.6 | -25.6 | 55 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 750 | H | 31.3 | Very low | 37.8 | Very low | 193 Ų | 193 | 140 Ų | 140 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | trans | -138.5 | 155.6 | 163.1 | -99.3 | 26.6 | 0 | 0 | 0 | 111 | ||||
| 751 | K | 38.1 | Very low | 37.5 | Very low | 176 Ų | 176 | 143.6 Ų | 143.6 | 77% | 0.765 | 78% | 0.778 | S | S | * | * | trans | -79.4 | 154.6 | -163.1 | -62.9 | 143.5 | -174.7 | 167 | 0 | 111.4 | ||||
| 752 | R | 34.8 | Very low | 36.9 | Very low | 196 Ų | 196 | 144.8 Ų | 144.8 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | cis | -164.8 | 140.3 | 2.5 | -129 | -174.5 | -69.4 | -147.7 | 3.6 | 110.4 | ||||
| 753 | Q | 35.9 | Very low | 37.1 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 49.3 | 130.6 | 149.3 | -69.5 | 161.8 | -55.2 | 0 | 0 | 118.6 | ||||
| 754 | L | 34.2 | Very low | 37.5 | Very low | 163 Ų | 163 | 147.7 Ų | 147.7 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | -141 | -179.1 | 53.8 | -80.7 | 167.2 | 0 | 0 | 0 | 115.7 | |||||
| 755 | L | 31.5 | Very low | 38.5 | Very low | 152 Ų | 152 | 149 Ų | 149 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -66.2 | 163.1 | 175 | -74.2 | 162.4 | 0 | 0 | 0 | 113.4 | ||||
| 756 | L | 32.6 | Very low | 39.2 | Very low | 143 Ų | 143 | 142.5 Ų | 142.5 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | cis | -160.5 | 173.7 | -9.4 | -176.4 | 57.9 | 0 | 0 | 0 | 108.4 | ||||
| 757 | D | 34.5 | Very low | 39.7 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -53.7 | 139.9 | 178.3 | -54.2 | -81 | 0 | 0 | 0 | 116 | ||||
| 758 | S | 33.3 | Very low | 40.7 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | 179 | 144.6 | 105.4 | 56.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 759 | L | 42.3 | Very low | 41.9 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 91% | 0.911 | 76% | 0.759 | S | S | * | * | trans | 12.8 | 130.3 | 150.6 | -58.1 | 164.5 | 0 | 0 | 0 | 120.2 | ||||
| 760 | D | 39.3 | Very low | 43.4 | Very low | 135 Ų | 135 | 140.9 Ų | 140.9 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | -165.2 | 166.5 | 111 | -165.2 | 27.7 | 0 | 0 | 0 | 111.9 | N762 | D760-N762 PolarHBondContact OD2-ND2 3.24Š| |||
| 761 | E | 48.9 | Very low | 44.7 | Very low | 187 Ų | 187 | 136.8 Ų | 136.8 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | -110.7 | 9.9 | -170.2 | -155.4 | 162.1 | 165.5 | 0 | 0 | 114 | ||||
| 762 | N | 47.3 | Very low | 45.7 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 69% | 0.69 | 73% | 0.731 | S | S | * | * | trans | -103.9 | 66.1 | -171.1 | -70.2 | -60.3 | 0 | 0 | 0 | 114.6 | D760 | D760-N762 PolarHBondContact OD2-ND2 3.24Š| ||
| 763 | A | 53.1 | Low | 46.6 | Very low | 91 Ų | 91 | 132.6 Ų | 132.6 | 75% | 0.752 | 73% | 0.731 | S | S | * | * | trans | -112.5 | 5.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 764 | M | 47.2 | Very low | 47.5 | Very low | 172 Ų | 172 | 131.9 Ų | 131.9 | 85% | 0.847 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -95.8 | -30.8 | -175.8 | -71.5 | -62.3 | -171 | 0 | 0 | 115.2 | A766 | M764-A766 VanDerWaalsContact C-N 3.28Å; M764-A766 PolarHBondContact O-N 3.07Å |
| 765 | D | 55.2 | Low | 48.4 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -75.6 | -15.6 | -168.9 | -58.7 | -19.8 | 0 | 0 | 0 | 114.1 | Q767 | D765-Q767 PolarHBondContact O-N 3.03Š|
| 766 | A | 55.4 | Low | 49.2 | Very low | 98 Ų | 98 | 126.1 Ų | 126.1 | 81% | 0.81 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -70.3 | -5.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116 | M764 | M764-A766 VanDerWaalsContact C-N 3.28Å; M764-A766 PolarHBondContact O-N 3.07Å |
| 767 | Q | 47.4 | Very low | 49.9 | Very low | 167 Ų | 167 | 121.8 Ų | 121.8 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -113.5 | -1.6 | -176.5 | -142.7 | -178.9 | -95.6 | 0 | 0 | 115.3 | D765 | D765-Q767 PolarHBondContact O-N 3.03Š|
| 768 | M | 50.3 | Low | 50.3 | Low | 122 Ų | 122 | 125.5 Ų | 125.5 | 60% | 0.601 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | -31.9 | 173 | -69.3 | -60 | -68.4 | 0 | 0 | 112.5 | A770 L771 L772 | M768-A770 PolarHBondContact O-N 3.22Å; M768-L771 WeakPolarHBondContact O-CB 3.36Å; M768-L771 PolarHBondContact O-N 2.86Å; M768-L771 VanDerWaalsContact O-N 3.1Å; M768-L772 PolarHBondContact O-N 2.85Å |
| 769 | G | 59.5 | Low | 50.4 | Low | 44 Ų | 44 | 130.3 Ų | 130.3 | 45% | 0.454 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -59.8 | -41.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L771 L772 E773 | G769-L771 PolarHBondContact O-N 3.32Å; G769-L772 PolarHBondContact O-N 3.31Å; G769-E773 WeakPolarHBondContact O-CB 3.32Å; G769-E773 PolarHBondContact O-N 2.96Å |
| 770 | A | 58.6 | Low | 50.2 | Low | 64 Ų | 64 | 125.7 Ų | 125.7 | 53% | 0.529 | 71% | 0.711 | S | S | . | * | H | α-helix | trans | -68.6 | -14.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114 | M768 | M768-A770 PolarHBondContact O-N 3.22Å |
| 771 | L | 60.3 | Low | 49.9 | Very low | 107 Ų | 107 | 125.3 Ų | 125.3 | 56% | 0.56 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -85.8 | -39 | 173 | -167.2 | 67.1 | 0 | 0 | 0 | 110.9 | M768 G769 L774 | M768-L771 WeakPolarHBondContact O-CB 3.36Å; M768-L771 PolarHBondContact O-N 2.86Å; M768-L771 VanDerWaalsContact O-N 3.1Å; G769-L771 PolarHBondContact O-N 3.32Å; L771-L774 PolarHBondContact O-N 3.42Å |
| 772 | L | 57.3 | Low | 49.5 | Very low | 124 Ų | 124 | 121 Ų | 121 | 65% | 0.649 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -65.5 | -37 | 172.8 | -74.5 | 155.9 | 0 | 0 | 0 | 112.1 | M768 G769 L774 C775 | M768-L772 PolarHBondContact O-N 2.85Å; G769-L772 PolarHBondContact O-N 3.31Å; L772-L774 PolarHBondContact O-N 3.35Å; L772-C775 PolarHBondContact O-N 2.75Å; L772-C775 VanDerWaalsContact O-N 3.1Å |
| 773 | E | 54 | Low | 49.4 | Very low | 160 Ų | 160 | 120.6 Ų | 120.6 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | -15.4 | 178.2 | -156.3 | 170.1 | -146.2 | 0 | 0 | 113.3 | G769 | G769-E773 WeakPolarHBondContact O-CB 3.32Å; G769-E773 PolarHBondContact O-N 2.96Å |
| 774 | L | 55.5 | Low | 48.3 | Very low | 148 Ų | 148 | 122.1 Ų | 122.1 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11.4 | 174.9 | -161.1 | 65.9 | 0 | 0 | 0 | 113.3 | L771 L772 | L771-L774 PolarHBondContact O-N 3.42Å; L772-L774 PolarHBondContact O-N 3.35Å |
| 775 | C | 52.2 | Low | 47.5 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -106.4 | 12 | -178.2 | -64.7 | 0 | 0 | 0 | 0 | 113.6 | L772 | L772-C775 PolarHBondContact O-N 2.75Å; L772-C775 VanDerWaalsContact O-N 3.1Å |
| 776 | S | 48.1 | Very low | 46.9 | Very low | 81 Ų | 81 | 116.8 Ų | 116.8 | 57% | 0.566 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -126.5 | 105.4 | 173.1 | -65.3 | 0 | 0 | 0 | 0 | 109.1 | R778 | S776-R778 VanDerWaalsContact C-N 3.32Å; S776-R778 PolarHBondContact O-N 3.17Å |
| 777 | G | 48 | Very low | 46 | Very low | 52 Ų | 52 | 116.6 Ų | 116.6 | 54% | 0.536 | 72% | 0.723 | S | S | . | * | trans | -73.8 | 56.3 | -157.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | E812 | G777-E812 WeakPolarHBondContact O-CG 3.47Š| ||
| 778 | R | 42.3 | Very low | 45.4 | Very low | 222 Ų | 222 | 117.3 Ų | 117.3 | 84% | 0.838 | 73% | 0.726 | S | S | * | * | trans | -102.9 | 97.9 | -177.6 | -166.3 | 169.7 | -178.4 | 169.3 | 1.7 | 114.1 | S776 | S776-R778 VanDerWaalsContact C-N 3.32Å; S776-R778 PolarHBondContact O-N 3.17Å | ||
| 779 | F | 35.9 | Very low | 44.8 | Very low | 210 Ų | 210 | 118.8 Ų | 118.8 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | trans | -61.9 | 141.8 | 177 | -82.8 | -94.1 | 0 | 0 | 0 | 114.4 | ||||
| 780 | G | 37.5 | Very low | 44 | Very low | 77 Ų | 77 | 125.6 Ų | 125.6 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -136.8 | 127.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 781 | S | 34.5 | Very low | 43.1 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -86.4 | 138.2 | -169 | 52.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 782 | A | 39.8 | Very low | 42.1 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | trans | -89 | 167.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 783 | P | 46.2 | Very low | 41.2 | Very low | 120 Ų | 120 | 130.5 Ų | 130.5 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | trans | -140.2 | 110.7 | 147.4 | 34.9 | -19.2 | 0 | 0 | 0 | 114.9 | ||||
| 784 | S | 28.3 | Very low | 40.2 | Very low | 124 Ų | 124 | 132.9 Ų | 132.9 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | 165.8 | 139.9 | 121.6 | 47.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 785 | G | 30.3 | Very low | 39.1 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -98.6 | -140.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 786 | P | 44.3 | Very low | 38.2 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | cis | -139.9 | 154.1 | 11.6 | 40.7 | -22.6 | 0 | 0 | 0 | 118.1 | ||||
| 787 | A | 35.2 | Very low | 37.2 | Very low | 94 Ų | 94 | 131.9 Ų | 131.9 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | 63.9 | 159.2 | 147.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 788 | Q | 34.9 | Very low | 36.6 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | cis | -139.1 | 147.9 | 15.7 | -65.7 | 171.1 | -33.1 | 0 | 0 | 112.4 | ||||
| 789 | D | 37.2 | Very low | 35.8 | Very low | 153 Ų | 153 | 132.8 Ų | 132.8 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -99.2 | 135.9 | 160.9 | -78.2 | -55.1 | 0 | 0 | 0 | 110.7 | ||||
| 790 | E | 44.2 | Very low | 36 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -148.6 | 83.7 | 161.8 | -77.5 | -159.2 | 160.2 | 0 | 0 | 112.5 | ||||
| 791 | L | 38.3 | Very low | 35.5 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 95% | 0.948 | 81% | 0.809 | S | S | * | * | trans | -163.5 | 71.8 | 130.8 | -147.8 | 69.7 | 0 | 0 | 0 | 113.7 | ||||
| 792 | L | 39.3 | Very low | 35.2 | Very low | 170 Ų | 170 | 132.3 Ų | 132.3 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -94.5 | 145.3 | 173.7 | -87.7 | 163.9 | 0 | 0 | 0 | 113 | ||||
| 793 | G | 39 | Very low | 34.6 | Very low | 47 Ų | 47 | 132.1 Ų | 132.1 | 49% | 0.485 | 80% | 0.802 | S | S | . | * | trans | 100.4 | 75.9 | 132.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 794 | F | 32.4 | Very low | 33.8 | Very low | 210 Ų | 210 | 130 Ų | 130 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -141.4 | 130.3 | 136.7 | -66.4 | -75.1 | 0 | 0 | 0 | 107.3 | ||
| 795 | C | 34 | Very low | 33.7 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | S | Bend | cis | -118.9 | 158.9 | 13 | -64.4 | 0 | 0 | 0 | 0 | 112.9 | ||
| 796 | S | 31.5 | Very low | 33.7 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -126.8 | 151.3 | -173.2 | -45.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 797 | G | 28.1 | Very low | 32.9 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -175.3 | 104.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 798 | A | 34.9 | Very low | 32.8 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | 63.8 | 124.3 | 70.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 799 | F | 26.2 | Very low | 32.8 | Very low | 205 Ų | 205 | 142.5 Ų | 142.5 | 90% | 0.899 | 79% | 0.793 | S | S | * | * | cis | -134.2 | 172.9 | 36.9 | -89 | -100.1 | 0 | 0 | 0 | 115.3 | ||||
| 800 | P | 39.8 | Very low | 32.6 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | trans | -118.7 | -167.6 | -167.6 | 43.2 | -30.9 | 0 | 0 | 0 | 115.2 | ||||
| 801 | Q | 27.7 | Very low | 32.1 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 107.1 | 136.8 | 172.5 | -62.4 | 175.5 | 5 | 0 | 0 | 113.5 | ||||
| 802 | T | 27.2 | Very low | 31.7 | Very low | 129 Ų | 129 | 143 Ų | 143 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | cis | -150.8 | 170 | 9.5 | -10.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 803 | A | 28.2 | Very low | 31.5 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -40.5 | 164.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 804 | A | 28.3 | Very low | 31.2 | Very low | 76 Ų | 76 | 150 Ų | 150 | 63% | 0.628 | 79% | 0.789 | S | S | * | * | cis | -171.8 | -170.9 | -12.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 805 | E | 27.7 | Very low | 31.6 | Very low | 175 Ų | 175 | 148.5 Ų | 148.5 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 68.2 | 154.4 | 174 | -61.9 | 145.2 | -149 | 0 | 0 | 113 | ||||
| 806 | E | 29.3 | Very low | 32.3 | Very low | 166 Ų | 166 | 148.7 Ų | 148.7 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | cis | -156.6 | 156.8 | -17.4 | -114.2 | 170.1 | -174.6 | 0 | 0 | 108.9 | ||||
| 807 | E | 28.4 | Very low | 33.2 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 41.8 | 144 | 158.1 | -53.1 | -158.4 | 138.7 | 0 | 0 | 125.7 | ||||
| 808 | E | 31.8 | Very low | 34.6 | Very low | 176 Ų | 176 | 152.7 Ų | 152.7 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 73.8 | 145.9 | 148.9 | -76.4 | -171.8 | 160.9 | 0 | 0 | 126.1 | ||||
| 809 | E | 35.1 | Very low | 35.7 | Very low | 171 Ų | 171 | 156.2 Ų | 156.2 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | 41.5 | 110.2 | 162.3 | -61.7 | -158.7 | 141.1 | 0 | 0 | 124.8 | ||||
| 810 | R | 33.3 | Very low | 36.9 | Very low | 232 Ų | 232 | 153.2 Ų | 153.2 | 88% | 0.875 | 76% | 0.76 | S | S | * | * | -174.5 | 148.6 | 128.3 | -90 | 138.4 | -155.9 | -111.2 | 2.2 | 108.7 | |||||
| 811 | K | 33.3 | Very low | 38.1 | Very low | 194 Ų | 194 | 154.2 Ų | 154.2 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | cis | 78.8 | 136.1 | 45.5 | -86 | -160.8 | 170.3 | -165 | 0 | 114.8 | ||||
| 812 | E | 31.1 | Very low | 39.8 | Very low | 105 Ų | 105 | 152.8 Ų | 152.8 | 49% | 0.491 | 75% | 0.754 | S | S | . | * | trans | -84.6 | 142.3 | -170.7 | -59.7 | 99.4 | 160.5 | 0 | 0 | 114.8 | G777 | G777-E812 WeakPolarHBondContact O-CG 3.47Š| ||
| 813 | E | 33.8 | Very low | 41.5 | Very low | 187 Ų | 187 | 150.1 Ų | 150.1 | 87% | 0.874 | 75% | 0.745 | S | S | * | * | trans | -146.2 | 111.5 | 164.1 | -73 | 176.1 | -174.3 | 0 | 0 | 108.5 | ||||
| 814 | E | 33.9 | Very low | 42.8 | Very low | 178 Ų | 178 | 152 Ų | 152 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | trans | -164.2 | 73.4 | 168.7 | -145.6 | 171.9 | -123.9 | 0 | 0 | 112.4 | ||||
| 815 | Q | 41 | Very low | 44.1 | Very low | 177 Ų | 177 | 153.7 Ų | 153.7 | 83% | 0.827 | 75% | 0.747 | S | S | * | * | trans | -132.4 | -6 | 172.5 | -75.2 | -163.3 | -5.7 | 0 | 0 | 116.1 | N817 | Q815-N817 VanDerWaalsContact C-N 3.29Å; Q815-N817 PolarHBondContact O-N 2.83Å; Q815-N817 VanDerWaalsContact O-N 3.16Å | ||
| 816 | D | 47.7 | Very low | 45.3 | Very low | 136 Ų | 136 | 150.5 Ų | 150.5 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -80.1 | -2.5 | -163.4 | -57.6 | 12.1 | 0 | 0 | 0 | 115.1 | M818 | D816-M818 PolarHBondContact O-N 2.98Å; D816-M818 VanDerWaalsContact O-N 3.11Å |
| 817 | N | 51.3 | Low | 46 | Very low | 128 Ų | 128 | 145.9 Ų | 145.9 | 68% | 0.684 | 74% | 0.742 | S | S | * | * | G | 310 helix | trans | -75.6 | 5.9 | -172.3 | -70.9 | -61.1 | 0 | 0 | 0 | 115.6 | Q815 | Q815-N817 VanDerWaalsContact C-N 3.29Å; Q815-N817 PolarHBondContact O-N 2.83Å; Q815-N817 VanDerWaalsContact O-N 3.16Å |
| 818 | M | 57 | Low | 46.5 | Very low | 145 Ų | 145 | 148.8 Ų | 148.8 | 71% | 0.714 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -112.6 | -25.7 | 176.4 | -67.3 | -157.8 | -62 | 0 | 0 | 114.7 | D816 L821 M822 | D816-M818 PolarHBondContact O-N 2.98Å; D816-M818 VanDerWaalsContact O-N 3.11Å; M818-L821 PolarHBondContact O-N 3.14Å; M818-M822 WeakPolarHBondContact O-CG 3.47Å; M818-M822 PolarHBondContact O-N 3.27Å |
| 819 | E | 57.6 | Low | 46.6 | Very low | 161 Ų | 161 | 150 Ų | 150 | 75% | 0.752 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -71.9 | -38 | 177.8 | -67.2 | -161 | 142.9 | 0 | 0 | 112.2 | L821 M822 A823 | E819-L821 PolarHBondContact O-N 2.62Å; E819-M822 PolarHBondContact O-N 3.03Å; E819-M822 VanDerWaalsContact O-N 3.15Å; E819-A823 WeakPolarHBondContact O-CB 3.33Å; E819-A823 PolarHBondContact O-N 3.37Å |
| 820 | E | 52.4 | Low | 46.9 | Very low | 142 Ų | 142 | 148 Ų | 148 | 66% | 0.664 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -59.7 | -35 | 173.7 | -172.1 | 175.4 | -174.4 | 0 | 0 | 111.7 | L824 | E820-L824 PolarHBondContact O-N 2.69Å |
| 821 | L | 64.7 | Low | 46.7 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 64% | 0.644 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -71.3 | -34.9 | 178.2 | -158.6 | 72.8 | 0 | 0 | 0 | 112.3 | M818 E819 | M818-L821 PolarHBondContact O-N 3.14Å; E819-L821 PolarHBondContact O-N 2.62Å |
| 822 | M | 63.1 | Low | 47.5 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -74.7 | -37.6 | 175 | -63.3 | -124.5 | -73.4 | 0 | 0 | 111.9 | M818 E819 L824 C825 | M818-M822 WeakPolarHBondContact O-CG 3.47Å; M818-M822 PolarHBondContact O-N 3.27Å; E819-M822 PolarHBondContact O-N 3.03Å; E819-M822 VanDerWaalsContact O-N 3.15Å; M822-L824 VanDerWaalsContact C-N 3.27Å; M822-L824 PolarHBondContact O-N 3.5Å; M822-C825 PolarHBondContact O-N 3Å |
| 823 | A | 61.6 | Low | 47.5 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 60% | 0.595 | 75% | 0.753 | S | S | * | * | H | α-helix | trans | -61.6 | -32.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E819 C825 | E819-A823 WeakPolarHBondContact O-CB 3.33Å; E819-A823 PolarHBondContact O-N 3.37Å; A823-C825 VanDerWaalsContact C-N 3.32Å; A823-C825 PolarHBondContact O-N 3.14Å |
| 824 | L | 57.2 | Low | 47.6 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 68% | 0.681 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -20.1 | 179.4 | -83.1 | 164.1 | 0 | 0 | 0 | 114.6 | E820 M822 | E820-L824 PolarHBondContact O-N 2.69Å; M822-L824 VanDerWaalsContact C-N 3.27Å; M822-L824 PolarHBondContact O-N 3.5Å |
| 825 | C | 55.3 | Low | 47.5 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 76% | 0.757 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -24.5 | -179.6 | -67.4 | 0 | 0 | 0 | 0 | 113.8 | M822 A823 | M822-C825 PolarHBondContact O-N 3Å; A823-C825 VanDerWaalsContact C-N 3.32Å; A823-C825 PolarHBondContact O-N 3.14Å |
| 826 | S | 52.3 | Low | 47 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -94.3 | -0.7 | -171.5 | -57.6 | 0 | 0 | 0 | 0 | 115.3 | ||
| 827 | G | 43.8 | Very low | 46.1 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 69.4 | 42.3 | 145.7 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 828 | R | 39 | Very low | 45.1 | Very low | 233 Ų | 233 | 128.4 Ų | 128.4 | 88% | 0.879 | 75% | 0.75 | S | S | * | * | trans | -147.7 | 135.1 | 161.3 | -156 | 164.9 | 179.8 | 172.8 | -3 | 115.4 | ||||
| 829 | F | 35 | Very low | 43.7 | Very low | 200 Ų | 200 | 126.7 Ų | 126.7 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | -84.9 | 146.8 | 174.8 | -69.8 | -92.8 | 0 | 0 | 0 | 112.4 | ||||
| 830 | P | 41.1 | Very low | 43.1 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 84% | 0.838 | 75% | 0.751 | S | S | * | * | trans | -84 | 151.1 | 174 | 34 | -34.7 | 0 | 0 | 0 | 113.3 | ||||
| 831 | G | 28.9 | Very low | 41.9 | Very low | 72 Ų | 72 | 122.5 Ų | 122.5 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | trans | -155.2 | 145.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 832 | P | 49.1 | Very low | 40.4 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | trans | -120.4 | 172.3 | -144.7 | 42.5 | -32.3 | 0 | 0 | 0 | 116.4 | ||||
| 833 | D | 32.4 | Very low | 38.7 | Very low | 151 Ų | 151 | 122 Ų | 122 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | 69.3 | 145.8 | 155.2 | -58.7 | -29.7 | 0 | 0 | 0 | 118.8 | ||||
| 834 | S | 34.4 | Very low | 37.4 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | cis | -173.1 | 173.5 | -12.9 | 52.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 835 | A | 33 | Very low | 36.1 | Very low | 93 Ų | 93 | 128.5 Ų | 128.5 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 108.3 | 133.7 | 139.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 836 | D | 29.7 | Very low | 34.8 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | trans | 85.5 | 93.1 | 140 | -101.6 | -8.8 | 0 | 0 | 0 | 124.7 | ||||
| 837 | S | 29.7 | Very low | 33.8 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | 50.5 | 117 | 107.6 | -168.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 838 | T | 29.6 | Very low | 33.2 | Very low | 143 Ų | 143 | 129.2 Ų | 129.2 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | -179.6 | 163.2 | 111.2 | 25.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 839 | S | 29.1 | Very low | 32.9 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -122.8 | -174.3 | 173.5 | 63.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 840 | P | 43.3 | Very low | 32.7 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | cis | -149.4 | -178.1 | 13.3 | 45.7 | -25.9 | 0 | 0 | 0 | 119.4 | ||||
| 841 | A | 27.8 | Very low | 32.1 | Very low | 103 Ų | 103 | 125.3 Ų | 125.3 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | 80.2 | 143 | 142.1 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 842 | A | 32.4 | Very low | 31.9 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 84% | 0.843 | 74% | 0.743 | S | S | * | * | trans | -133.3 | 178.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 843 | E | 29 | Very low | 30.8 | Very low | 156 Ų | 156 | 132 Ų | 132 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | trans | -139 | 128.5 | 171.9 | -79.7 | -154.4 | 165.7 | 0 | 0 | 114.3 | ||||
| 844 | R | 32.5 | Very low | 30.6 | Very low | 177 Ų | 177 | 132.6 Ų | 132.6 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | trans | 77.8 | 109.1 | 138.2 | -71 | -179.8 | 163.8 | 107.4 | 12 | 124.1 | ||||
| 845 | E | 31.3 | Very low | 30.2 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | 51.5 | 114.3 | 116.1 | -61.7 | 170.1 | -144.6 | 0 | 0 | 121.2 | |||||
| 846 | T | 28 | Very low | 30.2 | Very low | 148 Ų | 148 | 140.5 Ų | 140.5 | 91% | 0.908 | 75% | 0.751 | S | S | * | * | 178.5 | 167.6 | 103.2 | 26.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 847 | K | 32 | Very low | 30.2 | Very low | 90 Ų | 90 | 142.1 Ų | 142.1 | 39% | 0.391 | 75% | 0.754 | S | S | . | * | trans | -100.7 | 143.5 | 179.1 | -177.9 | -166.5 | 177.7 | 171.3 | 0 | 111 | K871 E872 E873 | K847-K871 HydrophobicContact CD-CB 4.37Å; K847-K871 HydrophobicContact CD-CD 4.04Å; K847-K871 HydrophobicContact CD-CG 3.8Å; K847-K871 HydrophobicContact CG-CB 4.3Å; K847-K871 HydrophobicContact CG-CD 4.28Å; K847-K871 HydrophobicContact CG-CG 4.18Å; K847-E872 WeakPolarHBondContact CE-O 3.5Å; K847-E872 VanDerWaalsContact NZ-CB 3.32Å; K847-E872 IonicContact NZ-OE2 2.85Å; K847-E872 PolarHBondContact NZ-OE2 3.48Å; K847-E873 IonicContact NZ-OE2 2.8Å; K847-E873 PolarHBondContact NZ-OE2 3.2Å | ||
| 848 | A | 30.1 | Very low | 30.5 | Very low | 68 Ų | 68 | 142 Ų | 142 | 56% | 0.562 | 76% | 0.758 | S | S | * | * | trans | 138.7 | 124.5 | 133.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 849 | E | 32.4 | Very low | 30.4 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | trans | 59.8 | 138.5 | 142.8 | -68 | 132.2 | -122.7 | 0 | 0 | 122.9 | ||||
| 850 | E | 30.8 | Very low | 30.5 | Very low | 178 Ų | 178 | 145.1 Ų | 145.1 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | 78.7 | 137.6 | 152.8 | -70.5 | 169.7 | -176.5 | 0 | 0 | 123.8 | ||||
| 851 | E | 28.4 | Very low | 29.8 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | 70.7 | 121.1 | 154.5 | -68.8 | 178.6 | 166.6 | 0 | 0 | 124.7 | ||||
| 852 | E | 26.1 | Very low | 29.9 | Very low | 161 Ų | 161 | 155.5 Ų | 155.5 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 65 | 123.7 | 136.5 | -65.9 | -174.9 | 160.7 | 0 | 0 | 125.9 | ||||
| 853 | E | 25.7 | Very low | 29.8 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | 74.8 | 129.5 | 132.8 | -68.3 | -169 | 153.6 | 0 | 0 | 126.4 | ||||
| 854 | E | 26.8 | Very low | 29.7 | Very low | 163 Ų | 163 | 159 Ų | 159 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 79.5 | 136.2 | 142.2 | -74.5 | -168.6 | 150.1 | 0 | 0 | 125.5 | ||||
| 855 | E | 27.4 | Very low | 29.3 | Very low | 176 Ų | 176 | 155.7 Ų | 155.7 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | 62.9 | 138.2 | 161.8 | -64.1 | -176.4 | 156.3 | 0 | 0 | 119.1 | ||||
| 856 | E | 32.6 | Very low | 29.1 | Very low | 191 Ų | 191 | 154.9 Ų | 154.9 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | cis | -134.9 | 179.7 | 10.3 | -65.2 | -177.5 | 135.9 | 0 | 0 | 112.8 | ||||
| 857 | E | 30.1 | Very low | 29 | Very low | 191 Ų | 191 | 153.2 Ų | 153.2 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -84.5 | 165.5 | -170.2 | -53.2 | 175.9 | 119.5 | 0 | 0 | 117.7 | ||||
| 858 | A | 34.5 | Very low | 28.8 | Very low | 89 Ų | 89 | 157.2 Ų | 157.2 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | 71.3 | 120 | 146.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 859 | C | 28.1 | Very low | 28.7 | Very low | 125 Ų | 125 | 158.8 Ų | 158.8 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | 176.5 | 112.7 | 108.1 | -87.7 | 0 | 0 | 0 | 0 | 115.7 | F861 | C859-F861 PolarHBondContact O-N 3.28Š| |||
| 860 | E | 31.9 | Very low | 28.5 | Very low | 193 Ų | 193 | 159.4 Ų | 159.4 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | 43.9 | 64.3 | 138.7 | -148.3 | 173.7 | -174.4 | 0 | 0 | 122.2 | ||||
| 861 | F | 28.6 | Very low | 28.7 | Very low | 195 Ų | 195 | 156.5 Ų | 156.5 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | 39.5 | 89 | 130.2 | -147.4 | -87.9 | 0 | 0 | 0 | 122 | C859 | C859-F861 PolarHBondContact O-N 3.28Š| ||
| 862 | R | 28.3 | Very low | 28.9 | Very low | 237 Ų | 237 | 153.6 Ų | 153.6 | 89% | 0.894 | 78% | 0.775 | S | S | * | * | -172.4 | 139.8 | 122.5 | -115.8 | 174 | 174.7 | 141.9 | 1.2 | 114.5 | |||||
| 863 | L | 31.1 | Very low | 29.4 | Very low | 167 Ų | 167 | 151.6 Ų | 151.6 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -85.4 | 139.1 | -176.9 | -75 | 166.9 | 0 | 0 | 0 | 114.9 | ||||
| 864 | L | 26.8 | Very low | 29.9 | Very low | 165 Ų | 165 | 151.3 Ų | 151.3 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -139.9 | 163.6 | 150.3 | -76.3 | 179.3 | 0 | 0 | 0 | 108.9 | ||||
| 865 | S | 25.1 | Very low | 30.2 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -42.5 | 150.7 | 173.5 | 51.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 866 | D | 25.7 | Very low | 30.5 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | cis | -160 | 167.8 | 43.9 | -153.7 | 4.9 | 0 | 0 | 0 | 115.3 | ||||
| 867 | V | 26.2 | Very low | 30.1 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 68% | 0.679 | 77% | 0.765 | S | S | * | * | trans | -18.5 | 138.5 | 164.7 | 165.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 868 | E | 27.3 | Very low | 30.3 | Very low | 174 Ų | 174 | 150.7 Ų | 150.7 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | -175 | 144.1 | 70.8 | -153.9 | 161.1 | -144.6 | 0 | 0 | 115.7 | |||||
| 869 | S | 29.2 | Very low | 30 | Very low | 102 Ų | 102 | 153.9 Ų | 153.9 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | trans | 65.9 | 154.4 | 160.2 | -64.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 870 | E | 28.8 | Very low | 30 | Very low | 144 Ų | 144 | 155.5 Ų | 155.5 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | cis | -165.3 | 151.6 | -25.3 | -117.9 | -164.5 | -158.2 | 0 | 0 | 109.4 | ||||
| 871 | K | 33.3 | Very low | 29.9 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 51% | 0.509 | 76% | 0.764 | S | S | . | * | trans | 69.9 | 155.9 | 164.6 | -89.8 | 125.2 | -170.7 | 155.1 | 0 | 120.6 | K847 | K847-K871 HydrophobicContact CD-CB 4.37Å; K847-K871 HydrophobicContact CD-CD 4.04Å; K847-K871 HydrophobicContact CD-CG 3.8Å; K847-K871 HydrophobicContact CG-CB 4.3Å; K847-K871 HydrophobicContact CG-CD 4.28Å; K847-K871 HydrophobicContact CG-CG 4.18Å | ||
| 872 | E | 34 | Very low | 30.5 | Very low | 109 Ų | 109 | 145.8 Ų | 145.8 | 51% | 0.509 | 75% | 0.753 | S | S | . | * | cis | 162.2 | 126.5 | -31.4 | -102.9 | 168.1 | -165.1 | 0 | 0 | 106.7 | K847 | K847-E872 WeakPolarHBondContact CE-O 3.5Å; K847-E872 VanDerWaalsContact NZ-CB 3.32Å; K847-E872 IonicContact NZ-OE2 2.85Å; K847-E872 PolarHBondContact NZ-OE2 3.48Å | ||
| 873 | E | 36.2 | Very low | 30.8 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 56% | 0.561 | 75% | 0.751 | S | S | * | * | trans | 69.5 | 148.1 | 153 | -57.3 | 152.7 | 167.8 | 0 | 0 | 117 | K847 | K847-E873 IonicContact NZ-OE2 2.8Å; K847-E873 PolarHBondContact NZ-OE2 3.2Å | ||
| 874 | E | 35.1 | Very low | 31 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | cis | -164.5 | 145.1 | -14.7 | -116.5 | 173.1 | -171.5 | 0 | 0 | 110.8 | ||||
| 875 | E | 34.3 | Very low | 31.5 | Very low | 167 Ų | 167 | 143.4 Ų | 143.4 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | 72.8 | 150 | 152.2 | -58.6 | -69.3 | -176.8 | 0 | 0 | 124.8 | ||||
| 876 | E | 32.6 | Very low | 32.7 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 82% | 0.822 | 75% | 0.749 | S | S | * | * | trans | 60.1 | 71.7 | 154.5 | -69.6 | -176.1 | 176.5 | 0 | 0 | 122.6 | ||||
| 877 | D | 25.6 | Very low | 32.9 | Very low | 166 Ų | 166 | 149 Ų | 149 | 89% | 0.888 | 75% | 0.753 | S | S | * | * | -174.7 | 139 | 108.1 | -101.9 | -22.5 | 0 | 0 | 0 | 110.1 | |||||
| 878 | E | 33.5 | Very low | 33 | Very low | 198 Ų | 198 | 149.8 Ų | 149.8 | 93% | 0.925 | 75% | 0.753 | S | S | * | * | trans | -92.2 | 139.4 | -174.4 | -69.4 | -179 | 146 | 0 | 0 | 113.5 | ||||
| 879 | D | 29.2 | Very low | 33.7 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 83% | 0.834 | 76% | 0.761 | S | S | * | * | trans | -70.5 | 141.9 | -174.1 | -54.7 | -97.3 | 0 | 0 | 0 | 116.4 | ||||
| 880 | D | 27.7 | Very low | 33.7 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -115.4 | 112.4 | 156 | -179.7 | 62.7 | 0 | 0 | 0 | 105.6 | ||
| 881 | V | 29.8 | Very low | 33.7 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -136.5 | 147.2 | 9.2 | 177.7 | 0 | 0 | 0 | 0 | 108.3 | ||
| 882 | G | 41.4 | Very low | 33.4 | Very low | 61 Ų | 61 | 149.4 Ų | 149.4 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | cis | 137.8 | 64.2 | 2.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 883 | E | 33.6 | Very low | 33.8 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 85% | 0.85 | 77% | 0.767 | S | S | * | * | trans | -89.9 | 152.7 | 170.6 | -65.4 | 175.7 | 167.2 | 0 | 0 | 109.5 | ||||
| 884 | E | 35.2 | Very low | 33.5 | Very low | 160 Ų | 160 | 149 Ų | 149 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -157.3 | 155.9 | -2.3 | -122.6 | -179.9 | 174.6 | 0 | 0 | 107.6 | ||||
| 885 | E | 38.9 | Very low | 33.2 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | 53.6 | 130.3 | 163.2 | -57.6 | -169.9 | 147.7 | 0 | 0 | 119.6 | ||||
| 886 | E | 48.7 | Very low | 33.6 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | cis | -143.1 | 128.4 | 7.1 | -56.4 | 179.7 | 113.3 | 0 | 0 | 110.6 | ||||
| 887 | E | 30.6 | Very low | 33.3 | Very low | 185 Ų | 185 | 149.2 Ų | 149.2 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | -157.1 | 170.6 | 157.3 | -136.4 | -161.8 | -166 | 0 | 0 | 114.2 | ||||
| 888 | L | 29 | Very low | 33.6 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | trans | 78.3 | 59.6 | 167.6 | -58.4 | 177.7 | 0 | 0 | 0 | 120.1 | G890 | L888-G890 PolarHBondContact O-N 3.16Š| ||
| 889 | Q | 42.2 | Very low | 34.4 | Very low | 209 Ų | 209 | 145.4 Ų | 145.4 | 98% | 0.977 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -83.2 | 48.1 | 137.6 | -168.4 | 76.6 | 116.8 | 0 | 0 | 111.1 | ||
| 890 | G | 27.8 | Very low | 34.9 | Very low | 39 Ų | 39 | 147.8 Ų | 147.8 | 40% | 0.402 | 76% | 0.756 | S | S | . | * | trans | -179.9 | 109.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | L888 | L888-G890 PolarHBondContact O-N 3.16Š| ||
| 891 | V | 29.8 | Very low | 36.1 | Very low | 106 Ų | 106 | 149.4 Ų | 149.4 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | 75.6 | 102.5 | 123.4 | 171.6 | 0 | 0 | 0 | 0 | 121 | |||||
| 892 | F | 27.2 | Very low | 36.5 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | 85.2 | 124.6 | 132.6 | -80.9 | -139.2 | 0 | 0 | 0 | 123.2 | ||||
| 893 | A | 40.7 | Very low | 37 | Very low | 87 Ų | 87 | 152 Ų | 152 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | trans | 78.2 | 145.8 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 894 | P | 30.6 | Very low | 37.7 | Very low | 134 Ų | 134 | 151.1 Ų | 151.1 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | -126 | 167.9 | 98.7 | 37.5 | -34.5 | 0 | 0 | 0 | 114.4 | |||||
| 895 | R | 29.8 | Very low | 38.5 | Very low | 190 Ų | 190 | 149.4 Ų | 149.4 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | trans | -113.1 | 129.1 | 176.6 | -83.2 | -153.8 | -176 | -74.9 | 7.6 | 113.3 | ||||
| 896 | R | 42.6 | Very low | 39 | Very low | 194 Ų | 194 | 146.3 Ų | 146.3 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | trans | 52.1 | 124.7 | 137.6 | -60.5 | 176.8 | 175 | 163.6 | -2.7 | 119.1 | ||||
| 897 | S | 25.6 | Very low | 39.2 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 73% | 0.731 | S | S | * | * | -110.3 | 108 | 122.5 | 62.4 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 898 | E | 33 | Very low | 40.4 | Very low | 124 Ų | 124 | 142 Ų | 142 | 58% | 0.579 | 72% | 0.718 | S | S | * | * | 74.3 | 70.9 | 92.4 | -76.3 | -73.7 | 112.4 | 0 | 0 | 115 | |||||
| 899 | K | 48.4 | Very low | 41.5 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | trans | 60.7 | 97.7 | 139.7 | -54.7 | 156.7 | -170.8 | 149.7 | 0 | 117.7 | ||||
| 900 | K | 40.5 | Very low | 41.8 | Very low | 205 Ų | 205 | 135.9 Ų | 135.9 | 89% | 0.891 | 70% | 0.695 | S | S | * | * | -131.8 | 146 | 127.9 | -86.2 | 101.5 | -176.5 | -176.4 | 0 | 110.4 | |||||
| 901 | K | 52.5 | Low | 43 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 84% | 0.843 | 71% | 0.713 | S | S | * | * | trans | -91.5 | 127 | 161.2 | -49 | 171.4 | -178.3 | -178 | 0 | 106.3 | ||||
| 902 | M | 39.4 | Very low | 44 | Very low | 182 Ų | 182 | 140 Ų | 140 | 90% | 0.897 | 71% | 0.708 | S | S | * | * | trans | -179.9 | 149.5 | 158.6 | -71.9 | -37.7 | 174.4 | 0 | 0 | 105.1 | ||||
| 903 | A | 50.3 | Low | 45 | Very low | 58 Ų | 58 | 139.9 Ų | 139.9 | 48% | 0.479 | 71% | 0.71 | S | S | . | * | cis | -147.1 | 170 | -24.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | M905 | A903-M905 PolarHBondContact O-N 2.99Å; A903-M905 VanDerWaalsContact O-N 3.12Å | ||
| 904 | L | 48.3 | Very low | 45.1 | Very low | 163 Ų | 163 | 144.2 Ų | 144.2 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -86.2 | 47.4 | -179.8 | -172.1 | 61.1 | 0 | 0 | 0 | 111.2 | ||
| 905 | M | 52.2 | Low | 46 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 61% | 0.606 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -130.4 | -41.5 | -173.6 | -71.7 | 179.1 | 59.6 | 0 | 0 | 112.3 | A903 Y907 V908 E909 | A903-M905 PolarHBondContact O-N 2.99Å; A903-M905 VanDerWaalsContact O-N 3.12Å; M905-Y907 PolarHBondContact O-N 3.07Å; M905-V908 WeakPolarHBondContact O-CB 3.37Å; M905-V908 PolarHBondContact O-N 2.96Å; M905-E909 PolarHBondContact O-N 3.35Å |
| 906 | D | 50.2 | Low | 46.8 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 59% | 0.594 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -60 | -21.4 | -179 | -44.3 | 33.1 | 0 | 0 | 0 | 112.4 | S910 | D906-S910 PolarHBondContact O-OG 3.36Å |
| 907 | Y | 52.8 | Low | 46.5 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -85.6 | -3.4 | 175.5 | -137.4 | -89.7 | 0 | 0 | 0 | 114.1 | M905 | M905-Y907 PolarHBondContact O-N 3.07Å |
| 908 | V | 54.5 | Low | 47.4 | Very low | 97 Ų | 97 | 136 Ų | 136 | 59% | 0.588 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -104.1 | -34.4 | 177 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | M905 S910 | M905-V908 WeakPolarHBondContact O-CB 3.37Å; M905-V908 PolarHBondContact O-N 2.96Å; V908-S910 VanDerWaalsContact C-N 3.34Å |
| 909 | E | 54.1 | Low | 47.7 | Very low | 127 Ų | 127 | 137.3 Ų | 137.3 | 59% | 0.593 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -69.1 | -34.4 | 173.6 | -70.5 | 170.7 | 156.4 | 0 | 0 | 111 | M905 E911 A912 | M905-E909 PolarHBondContact O-N 3.35Å; E909-E911 PolarHBondContact O-N 2.93Å; E909-A912 PolarHBondContact O-N 3.5Å; E909-A912 VanDerWaalsContact O-N 3.08Å |
| 910 | S | 47.3 | Very low | 47.2 | Very low | 82 Ų | 82 | 132.9 Ų | 132.9 | 57% | 0.573 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -12.4 | 178.7 | 43.6 | 0 | 0 | 0 | 0 | 116 | D906 V908 | D906-S910 PolarHBondContact O-OG 3.36Å; V908-S910 VanDerWaalsContact C-N 3.34Å |
| 911 | E | 53 | Low | 47 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 77% | 0.771 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -9.6 | 165.5 | -74.8 | -168.4 | 138.8 | 0 | 0 | 112.6 | E909 | E909-E911 PolarHBondContact O-N 2.93Š|
| 912 | A | 52 | Low | 46.7 | Very low | 66 Ų | 66 | 126 Ų | 126 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.4 | -14.7 | -168.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E909 L914 | E909-A912 PolarHBondContact O-N 3.5Å; E909-A912 VanDerWaalsContact O-N 3.08Å; A912-L914 PolarHBondContact O-N 3.48Å |
| 913 | E | 46.6 | Very low | 46.6 | Very low | 173 Ų | 173 | 123.9 Ų | 123.9 | 81% | 0.808 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 8.1 | -171 | -67.6 | -171.2 | 153.6 | 0 | 0 | 115.5 | ||
| 914 | L | 43.8 | Very low | 46.2 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 93% | 0.932 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.8 | 14.7 | 178 | -90.8 | 173.8 | 0 | 0 | 0 | 115.4 | A912 | A912-L914 PolarHBondContact O-N 3.48Š|
| 915 | S | 48.6 | Very low | 46 | Very low | 118 Ų | 118 | 130.2 Ų | 130.2 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -151.2 | 101.9 | 165.4 | -163.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 916 | G | 47.3 | Very low | 45.4 | Very low | 81 Ų | 81 | 127.9 Ų | 127.9 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | trans | 148.5 | 71.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 917 | S | 36.1 | Very low | 44.9 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 75% | 0.75 | S | S | * | * | trans | -140.2 | 61.8 | 163 | 70.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 918 | D | 43.6 | Very low | 44.5 | Very low | 155 Ų | 155 | 131.3 Ų | 131.3 | 83% | 0.829 | 76% | 0.755 | S | S | * | * | trans | -60.4 | 126.4 | 144.9 | 168.5 | 18.1 | 0 | 0 | 0 | 107.8 | G920 | D918-G920 PolarHBondContact OD1-N 2.96Š| ||
| 919 | I | 40.3 | Very low | 43.6 | Very low | 153 Ų | 153 | 134.1 Ų | 134.1 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -143.1 | 68.6 | 171.1 | -170.9 | 58.5 | 0 | 0 | 0 | 110.4 | S921 | I919-S921 PolarHBondContact O-N 3.42Š| ||
| 920 | G | 38.3 | Very low | 42.9 | Very low | 67 Ų | 67 | 133.5 Ų | 133.5 | 69% | 0.691 | 78% | 0.776 | S | S | * | * | trans | -57.6 | 132.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | D918 | D918-G920 PolarHBondContact OD1-N 2.96Š| ||
| 921 | S | 35.6 | Very low | 42.5 | Very low | 105 Ų | 105 | 138.6 Ų | 138.6 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | trans | -145.2 | 120.2 | 162.2 | -161 | 0 | 0 | 0 | 0 | 105 | I919 | I919-S921 PolarHBondContact O-N 3.42Š| ||
| 922 | D | 45.4 | Very low | 41.7 | Very low | 149 Ų | 149 | 141.2 Ų | 141.2 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | 60.7 | 105.9 | 55 | -155 | 65.6 | 0 | 0 | 0 | 108.1 | |||||
| 923 | D | 37.5 | Very low | 41 | Very low | 138 Ų | 138 | 146.8 Ų | 146.8 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | cis | -152.4 | 154.6 | 10 | -161.3 | 9.9 | 0 | 0 | 0 | 105 | ||||
| 924 | E | 43.5 | Very low | 40.6 | Very low | 163 Ų | 163 | 147.1 Ų | 147.1 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | -175.3 | 169.7 | 52.6 | -168.7 | 171.4 | -148.3 | 0 | 0 | 108.4 | |||||
| 925 | E | 43.4 | Very low | 40.6 | Very low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -21.3 | 143.6 | 179.7 | -53.7 | 178.4 | 162.2 | 0 | 0 | 120 | ||||
| 926 | G | 39.7 | Very low | 40.3 | Very low | 74 Ų | 74 | 148.9 Ų | 148.9 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | 171.6 | -171.3 | 4.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 927 | D | 39.6 | Very low | 40 | Very low | 149 Ų | 149 | 152.5 Ų | 152.5 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 60.1 | 109.9 | 176.6 | -84.4 | -30.9 | 0 | 0 | 0 | 121.2 | ||||
| 928 | R | 43.5 | Very low | 40.5 | Very low | 217 Ų | 217 | 153.8 Ų | 153.8 | 82% | 0.819 | 80% | 0.799 | S | S | * | * | trans | 28.5 | 130.7 | 132.5 | -55.7 | 177.6 | 178.7 | -145 | -3.7 | 119.1 | ||||
| 929 | D | 35.9 | Very low | 41.2 | Very low | 156 Ų | 156 | 154.3 Ų | 154.3 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | -158.7 | 169.9 | 67.7 | -102.4 | -30.3 | 0 | 0 | 0 | 113.1 | E931 | D929-E931 PolarHBondContact O-N 3.04Š| |||
| 930 | S | 40.4 | Very low | 42.4 | Very low | 113 Ų | 113 | 155.7 Ų | 155.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -91.8 | 93.5 | 176.3 | 60.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 931 | E | 37.5 | Very low | 43.9 | Very low | 190 Ų | 190 | 159.5 Ų | 159.5 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -75.2 | 144.8 | 166.4 | -168.3 | 151.3 | -133.9 | 0 | 0 | 110.3 | D929 | D929-E931 PolarHBondContact O-N 3.04Š| ||
| 932 | Y | 37.6 | Very low | 45.6 | Very low | 219 Ų | 219 | 158.4 Ų | 158.4 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -71.8 | 128.9 | 172.2 | -92 | -122.1 | 0 | 0 | 0 | 108.4 | E934 | Y932-E934 PolarHBondContact O-N 3.42Š| ||
| 933 | E | 36.6 | Very low | 47.1 | Very low | 183 Ų | 183 | 154.2 Ų | 154.2 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | trans | -66.9 | 88 | 160.2 | -71.4 | -176.6 | 149.8 | 0 | 0 | 108.8 | E935 | E933-E935 PolarHBondContact O-N 2.84Š| ||
| 934 | E | 38.4 | Very low | 49.3 | Very low | 180 Ų | 180 | 153.9 Ų | 153.9 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -65.6 | 82 | 151.5 | -175.4 | 160.6 | -132.3 | 0 | 0 | 106.2 | Y932 E936 | Y932-E934 PolarHBondContact O-N 3.42Å; E934-E936 PolarHBondContact O-N 3.28Å | ||
| 935 | E | 43.6 | Very low | 51.3 | Low | 176 Ų | 176 | 152.5 Ų | 152.5 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -55.1 | 96.6 | 167.4 | -85.4 | -163.8 | 139.4 | 0 | 0 | 107.2 | E933 L937 | E933-E935 PolarHBondContact O-N 2.84Å; E935-L937 PolarHBondContact O-N 2.79Å | ||
| 936 | E | 42.5 | Very low | 53.4 | Low | 157 Ų | 157 | 148.9 Ų | 148.9 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | trans | -58.6 | 126.3 | -168.9 | -166.5 | 172.4 | -144.3 | 0 | 0 | 108.1 | E934 L938 | E934-E936 PolarHBondContact O-N 3.28Å; E936-L938 PolarHBondContact O-N 3.4Å | ||
| 937 | L | 41.8 | Very low | 55.8 | Low | 157 Ų | 157 | 149.5 Ų | 149.5 | 82% | 0.822 | 74% | 0.736 | S | S | * | * | trans | -78.2 | 57.1 | -175.2 | -147.6 | 173.4 | 0 | 0 | 0 | 110.3 | E935 E939 | E935-L937 PolarHBondContact O-N 2.79Å; L937-E939 HydrophobicContact CD2-CB 4.15Å; L937-E939 PolarHBondContact O-N 2.82Å | ||
| 938 | L | 45.4 | Very low | 58.1 | Low | 138 Ų | 138 | 148 Ų | 148 | 72% | 0.723 | 72% | 0.724 | S | S | * | * | trans | -72.8 | 75.7 | 172.4 | -155.8 | 77.2 | 0 | 0 | 0 | 107.5 | E936 E940 | E936-L938 PolarHBondContact O-N 3.4Å; L938-E940 PolarHBondContact O-N 2.82Å | ||
| 939 | E | 58.2 | Low | 60.5 | Low | 165 Ų | 165 | 141.9 Ų | 141.9 | 77% | 0.771 | 71% | 0.708 | S | S | * | * | trans | -61 | 91 | 170.7 | -173.8 | 168.8 | -138.2 | 0 | 0 | 107.7 | L937 L941 | L937-E939 HydrophobicContact CD2-CB 4.15Å; L937-E939 PolarHBondContact O-N 2.82Å; E939-L941 PolarHBondContact O-N 3.5Å | ||
| 940 | E | 66.4 | Low | 63.1 | Low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 69% | 0.69 | S | S | * | * | trans | -52.6 | 109.5 | -168.4 | -171 | 174.9 | -160.4 | 0 | 0 | 110 | L938 | L938-E940 PolarHBondContact O-N 2.82Š| ||
| 941 | L | 69.3 | Low | 65.6 | Low | 148 Ų | 148 | 137.7 Ų | 137.7 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 135.5 | -177.6 | -64.8 | 177.6 | 0 | 0 | 0 | 108.3 | E939 S943 | E939-L941 PolarHBondContact O-N 3.5Å; L941-S943 PolarHBondContact O-N 3.13Å |
| 942 | P | 70.6 | Confident | 68.3 | Low | 81 Ų | 81 | 132.1 Ų | 132.1 | 53% | 0.526 | 65% | 0.653 | S | S | . | * | P | Polyproline II helix | trans | -50 | 133.4 | 176.4 | -27.3 | 34.4 | 0 | 0 | 0 | 110.6 | ||
| 943 | S | 78 | Confident | 71 | Confident | 62 Ų | 62 | 129.6 Ų | 129.6 | 43% | 0.434 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -57.5 | 151.7 | -174.6 | 73.5 | 0 | 0 | 0 | 0 | 110.9 | L941 E945 E946 L947 | L941-S943 PolarHBondContact O-N 3.13Å; S943-E945 PolarHBondContact O-N 3Å; S943-E945 VanDerWaalsContact O-N 3.15Å; S943-E946 CarbonylContact O-C 3.6Å; S943-E946 WeakPolarHBondContact O-CA 3.49Å; S943-E946 PolarHBondContact O-N 2.88Å; S943-E946 PolarHBondContact OG-N 2.93Å; S943-E946 VanDerWaalsContact OG-N 3.13Å; S943-L947 PolarHBondContact O-N 2.97Å |
| 944 | D | 83.6 | Confident | 73.7 | Confident | 130 Ų | 130 | 126.1 Ų | 126.1 | 70% | 0.695 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -61.8 | -27.8 | -178.5 | -161.5 | 45.4 | 0 | 0 | 0 | 111.5 | L947 Q948 | D944-L947 PolarHBondContact O-N 3.35Å; D944-Q948 VanDerWaalsContact O-CB 3.22Å; D944-Q948 WeakPolarHBondContact O-CB 3.31Å; D944-Q948 PolarHBondContact O-N 3.15Å |
| 945 | E | 86 | Confident | 76.4 | Confident | 135 Ų | 135 | 122.1 Ų | 122.1 | 63% | 0.631 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67 | -43.9 | 169.3 | -175.4 | -179.2 | 179.8 | 0 | 0 | 112.7 | S943 L947 Q948 N949 | S943-E945 PolarHBondContact O-N 3Å; S943-E945 VanDerWaalsContact O-N 3.15Å; E945-L947 VanDerWaalsContact C-N 3.31Å; E945-L947 PolarHBondContact O-N 3.12Å; E945-Q948 PolarHBondContact O-N 2.92Å; E945-N949 VanDerWaalsContact O-CB 3.28Å; E945-N949 WeakPolarHBondContact O-CB 3.46Å; E945-N949 PolarHBondContact O-N 3.43Å; E945-N949 PolarHBondContact O-ND2 2.86Å |
| 946 | E | 86.8 | Confident | 78.9 | Confident | 114 Ų | 114 | 118.6 Ų | 118.6 | 53% | 0.533 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.3 | -37.3 | 173 | -78.6 | -158.7 | 148 | 0 | 0 | 111.9 | S943 N949 Q950 | S943-E946 CarbonylContact O-C 3.6Å; S943-E946 WeakPolarHBondContact O-CA 3.49Å; S943-E946 PolarHBondContact O-N 2.88Å; S943-E946 PolarHBondContact OG-N 2.93Å; S943-E946 VanDerWaalsContact OG-N 3.13Å; E946-N949 PolarHBondContact O-N 3.27Å; E946-Q950 WeakPolarHBondContact O-CB 3.49Å; E946-Q950 VanDerWaalsContact O-CG 3.25Å; E946-Q950 WeakPolarHBondContact O-CG 3.49Å; E946-Q950 PolarHBondContact O-N 3.47Å; E946-Q950 PolarHBondContact O-NE2 2.94Å |
| 947 | L | 89.4 | Confident | 81.4 | Confident | 87 Ų | 87 | 117.4 Ų | 117.4 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -66.3 | -46.1 | 175.6 | -177.9 | 60.4 | 0 | 0 | 0 | 110.9 | S943 D944 E945 N949 Q950 V951 | S943-L947 PolarHBondContact O-N 2.97Å; D944-L947 PolarHBondContact O-N 3.35Å; E945-L947 VanDerWaalsContact C-N 3.31Å; E945-L947 PolarHBondContact O-N 3.12Å; L947-N949 VanDerWaalsContact C-N 3.34Å; L947-N949 PolarHBondContact O-N 2.92Å; L947-Q950 PolarHBondContact O-N 3.26Å; L947-V951 WeakPolarHBondContact O-CG2 3.48Å; L947-V951 PolarHBondContact O-N 2.84Å |
| 948 | Q | 88.1 | Confident | 84 | Confident | 118 Ų | 118 | 115.1 Ų | 115.1 | 55% | 0.551 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.1 | -42.4 | 175 | -168.8 | -177.8 | 30.9 | 0 | 0 | 111.1 | D944 E945 V951 N952 | D944-Q948 VanDerWaalsContact O-CB 3.22Å; D944-Q948 WeakPolarHBondContact O-CB 3.31Å; D944-Q948 PolarHBondContact O-N 3.15Å; E945-Q948 PolarHBondContact O-N 2.92Å; Q948-V951 PolarHBondContact O-N 3.45Å; Q948-N952 VanDerWaalsContact O-CB 3.32Å; Q948-N952 WeakPolarHBondContact O-CB 3.37Å; Q948-N952 PolarHBondContact O-N 2.92Å; Q948-N952 PolarHBondContact O-ND2 3.31Å |
| 949 | N | 93.3 | Very high | 86.4 | Confident | 89 Ų | 89 | 111.5 Ų | 111.5 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.3 | -38.4 | 174.1 | -83 | -57.7 | 0 | 0 | 0 | 112.6 | E945 E946 L947 K953 | E945-N949 VanDerWaalsContact O-CB 3.28Å; E945-N949 WeakPolarHBondContact O-CB 3.46Å; E945-N949 PolarHBondContact O-N 3.43Å; E945-N949 PolarHBondContact O-ND2 2.86Å; E946-N949 PolarHBondContact O-N 3.27Å; L947-N949 VanDerWaalsContact C-N 3.34Å; L947-N949 PolarHBondContact O-N 2.92Å; N949-K953 WeakPolarHBondContact O-CB 3.49Å; N949-K953 PolarHBondContact O-N 3.38Å |
| 950 | Q | 91.6 | Very high | 88.2 | Confident | 98 Ų | 98 | 109.4 Ų | 109.4 | 46% | 0.458 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 172.5 | -75.6 | 176.3 | 66.9 | 0 | 0 | 112.1 | E946 L947 K953 I954 | E946-Q950 WeakPolarHBondContact O-CB 3.49Å; E946-Q950 VanDerWaalsContact O-CG 3.25Å; E946-Q950 WeakPolarHBondContact O-CG 3.49Å; E946-Q950 PolarHBondContact O-N 3.47Å; E946-Q950 PolarHBondContact O-NE2 2.94Å; L947-Q950 PolarHBondContact O-N 3.26Å; Q950-K953 PolarHBondContact O-N 2.93Å; Q950-I954 VanDerWaalsContact O-CG1 3.27Å; Q950-I954 WeakPolarHBondContact O-CG1 3.39Å; Q950-I954 PolarHBondContact O-N 3.02Å |
| 951 | V | 93.8 | Very high | 89.6 | Confident | 83 Ų | 83 | 104 Ų | 104 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.7 | -47 | 175.3 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | L947 Q948 K953 I954 H955 | L947-V951 WeakPolarHBondContact O-CG2 3.48Å; L947-V951 PolarHBondContact O-N 2.84Å; Q948-V951 PolarHBondContact O-N 3.45Å; V951-K953 VanDerWaalsContact C-N 3.32Å; V951-K953 PolarHBondContact O-N 2.71Å; V951-I954 PolarHBondContact O-N 3.23Å; V951-H955 WeakPolarHBondContact O-CB 3.48Å; V951-H955 PolarHBondContact O-N 3.33Å |
| 952 | N | 92.5 | Very high | 90.8 | Very high | 73 Ų | 73 | 99.3 Ų | 99.3 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 175.1 | -74.3 | -19.1 | 0 | 0 | 0 | 111.4 | Q948 H955 M956 | Q948-N952 VanDerWaalsContact O-CB 3.32Å; Q948-N952 WeakPolarHBondContact O-CB 3.37Å; Q948-N952 PolarHBondContact O-N 2.92Å; Q948-N952 PolarHBondContact O-ND2 3.31Å; N952-H955 PolarHBondContact O-N 3.02Å; N952-M956 WeakPolarHBondContact O-CB 3.24Å; N952-M956 WeakPolarHBondContact O-CG 3.39Å; N952-M956 PolarHBondContact O-N 2.8Å |
| 953 | K | 95.2 | Very high | 92 | Very high | 166 Ų | 166 | 98.2 Ų | 98.2 | 72% | 0.722 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.9 | -36.8 | 176.4 | -170.1 | 171.3 | -170.4 | 166.2 | 0 | 112.9 | N949 Q950 V951 K957 | N949-K953 WeakPolarHBondContact O-CB 3.49Å; N949-K953 PolarHBondContact O-N 3.38Å; Q950-K953 PolarHBondContact O-N 2.93Å; V951-K953 VanDerWaalsContact C-N 3.32Å; V951-K953 PolarHBondContact O-N 2.71Å; K953-K957 VanDerWaalsContact O-CB 3.26Å; K953-K957 WeakPolarHBondContact O-CB 3.42Å; K953-K957 PolarHBondContact O-N 2.89Å; K953-K957 VanDerWaalsContact O-N 3.13Å |
| 954 | I | 94.2 | Very high | 92.8 | Very high | 110 Ų | 110 | 101.3 Ų | 101.3 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.1 | -42 | 172.1 | -70.5 | 163.8 | 0 | 0 | 0 | 110.5 | Q950 V951 K957 Q958 | Q950-I954 VanDerWaalsContact O-CG1 3.27Å; Q950-I954 WeakPolarHBondContact O-CG1 3.39Å; Q950-I954 PolarHBondContact O-N 3.02Å; V951-I954 PolarHBondContact O-N 3.23Å; I954-K957 PolarHBondContact O-N 2.79Å; I954-Q958 WeakPolarHBondContact O-CB 3.29Å; I954-Q958 PolarHBondContact O-N 2.98Å |
| 955 | H | 94.4 | Very high | 93.3 | Very high | 96 Ų | 96 | 101.1 Ų | 101.1 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -50 | -179.9 | -176.9 | 47.8 | 0 | 0 | 0 | 112.1 | V951 N952 K957 Q958 I959 | V951-H955 WeakPolarHBondContact O-CB 3.48Å; V951-H955 PolarHBondContact O-N 3.33Å; N952-H955 PolarHBondContact O-N 3.02Å; H955-K957 VanDerWaalsContact C-N 3.31Å; H955-K957 PolarHBondContact O-N 3.14Å; H955-Q958 WeakPolarHBondContact O-CB 3.31Å; H955-Q958 PolarHBondContact O-N 3.47Å; H955-Q958 VanDerWaalsContact O-N 3.08Å; H955-I959 WeakPolarHBondContact O-CG1 3.3Å; H955-I959 PolarHBondContact O-N 2.87Å |
| 956 | M | 95.1 | Very high | 93.6 | Very high | 101 Ų | 101 | 101 Ų | 101 | 50% | 0.498 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 174.5 | -69.4 | -58.4 | 113.3 | 0 | 0 | 111.7 | N952 Q958 I959 L960 | N952-M956 WeakPolarHBondContact O-CB 3.24Å; N952-M956 WeakPolarHBondContact O-CG 3.39Å; N952-M956 PolarHBondContact O-N 2.8Å; M956-Q958 PolarHBondContact O-N 3.42Å; M956-I959 HydrophobicContact CE-CD1 3.73Å; M956-I959 PolarHBondContact O-N 2.92Å; M956-I959 HydrophobicContact SD-CD1 4.41Å; M956-L960 WeakPolarHBondContact O-CG 3.49Å; M956-L960 PolarHBondContact O-N 2.86Å |
| 957 | K | 96.1 | Very high | 93.8 | Very high | 132 Ų | 132 | 100.5 Ų | 100.5 | 57% | 0.574 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.3 | -43.4 | 172.9 | -177 | -169.8 | 170.4 | -167.2 | 0 | 111.7 | K953 I954 H955 L960 D961 | K953-K957 VanDerWaalsContact O-CB 3.26Å; K953-K957 WeakPolarHBondContact O-CB 3.42Å; K953-K957 PolarHBondContact O-N 2.89Å; K953-K957 VanDerWaalsContact O-N 3.13Å; I954-K957 PolarHBondContact O-N 2.79Å; H955-K957 VanDerWaalsContact C-N 3.31Å; H955-K957 PolarHBondContact O-N 3.14Å; K957-L960 PolarHBondContact O-N 3.07Å; K957-D961 WeakPolarHBondContact CE-OD2 3.25Å; K957-D961 WeakPolarHBondContact O-CB 3.44Å; K957-D961 PolarHBondContact O-N 3.09Å |
| 958 | Q | 96.1 | Very high | 93.6 | Very high | 110 Ų | 110 | 103.1 Ų | 103.1 | 51% | 0.514 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 178.6 | -178.5 | 175.1 | -19 | 0 | 0 | 111.5 | I954 H955 M956 D961 D962 | I954-Q958 WeakPolarHBondContact O-CB 3.29Å; I954-Q958 PolarHBondContact O-N 2.98Å; H955-Q958 WeakPolarHBondContact O-CB 3.31Å; H955-Q958 PolarHBondContact O-N 3.47Å; H955-Q958 VanDerWaalsContact O-N 3.08Å; M956-Q958 PolarHBondContact O-N 3.42Å; Q958-D961 PolarHBondContact O-N 3.22Å; Q958-D962 WeakPolarHBondContact O-CB 3.18Å; Q958-D962 PolarHBondContact O-N 3.32Å |
| 959 | I | 96.4 | Very high | 93.5 | Very high | 61 Ų | 61 | 102.5 Ų | 102.5 | 31% | 0.313 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58 | -51.5 | 173.8 | -68.9 | 168.1 | 0 | 0 | 0 | 110.2 | H955 M956 D961 D962 D963 | H955-I959 WeakPolarHBondContact O-CG1 3.3Å; H955-I959 PolarHBondContact O-N 2.87Å; M956-I959 HydrophobicContact CE-CD1 3.73Å; M956-I959 PolarHBondContact O-N 2.92Å; M956-I959 HydrophobicContact SD-CD1 4.41Å; I959-D961 VanDerWaalsContact C-N 3.31Å; I959-D961 PolarHBondContact O-N 2.95Å; I959-D962 CarbonylContact O-C 3.59Å; I959-D962 PolarHBondContact O-N 2.86Å; I959-D963 WeakPolarHBondContact CG2-OD2 3.38Å; I959-D963 PolarHBondContact O-N 3.44Å |
| 960 | L | 95.6 | Very high | 93.3 | Very high | 121 Ų | 121 | 103.8 Ų | 103.8 | 63% | 0.634 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.6 | -38 | 177.8 | -68.7 | 170.8 | 0 | 0 | 0 | 112.9 | M956 K957 K964 | M956-L960 WeakPolarHBondContact O-CG 3.49Å; M956-L960 PolarHBondContact O-N 2.86Å; K957-L960 PolarHBondContact O-N 3.07Å; L960-K964 WeakPolarHBondContact O-CB 3.31Å; L960-K964 PolarHBondContact O-N 2.94Å |
| 961 | D | 95.9 | Very high | 92.6 | Very high | 70 Ų | 70 | 102.6 Ų | 102.6 | 37% | 0.374 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -70.4 | -31 | 175.1 | -89.1 | -32.4 | 0 | 0 | 0 | 112.3 | K957 Q958 I959 R965 | K957-D961 WeakPolarHBondContact CE-OD2 3.25Å; K957-D961 WeakPolarHBondContact O-CB 3.44Å; K957-D961 PolarHBondContact O-N 3.09Å; Q958-D961 PolarHBondContact O-N 3.22Å; I959-D961 VanDerWaalsContact C-N 3.31Å; I959-D961 PolarHBondContact O-N 2.95Å; D961-R965 WeakPolarHBondContact O-CG 3.35Å; D961-R965 VanDerWaalsContact O-CZ 3.25Å; D961-R965 PolarHBondContact O-N 2.77Å; D961-R965 PolarHBondContact O-NH1 3.39Å |
| 962 | D | 94.6 | Very high | 92 | Very high | 48 Ų | 48 | 103.5 Ų | 103.5 | 26% | 0.257 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.9 | -39.5 | 173 | -93.3 | -51.1 | 0 | 0 | 0 | 112.7 | Q958 I959 K964 R965 R966 | Q958-D962 WeakPolarHBondContact O-CB 3.18Å; Q958-D962 PolarHBondContact O-N 3.32Å; I959-D962 CarbonylContact O-C 3.59Å; I959-D962 PolarHBondContact O-N 2.86Å; D962-K964 VanDerWaalsContact C-N 3.34Å; D962-R965 CarbonylContact O-C 3.6Å; D962-R965 WeakPolarHBondContact O-CA 3.5Å; D962-R965 WeakPolarHBondContact O-CB 3.5Å; D962-R965 PolarHBondContact O-N 3.09Å; D962-R965 VanDerWaalsContact O-N 3.09Å; D962-R965 IonicContact OD1-CZ 2.74Å; D962-R965 IonicContact OD1-NE 2.68Å; D962-R965 PolarHBondContact OD1-NE 2.91Å; D962-R965 IonicContact OD1-NH2 3.57Å; D962-R965 PolarHBondContact OD1-NH2 3.03Å; D962-R965 IonicContact OD2-CZ 3.49Å; D962-R965 IonicContact OD2-NH2 2.63Å; D962-R965 PolarHBondContact OD2-NH2 2.85Å; D962-R966 VanDerWaalsContact O-CG 3.3Å; D962-R966 WeakPolarHBondContact O-CG 3.14Å; D962-R966 PolarHBondContact O-N 3.17Å |
| 963 | D | 95.9 | Very high | 91.4 | Very high | 59 Ų | 59 | 106.7 Ų | 106.7 | 32% | 0.316 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.4 | -35.4 | 173.7 | -71.9 | -33 | 0 | 0 | 0 | 111.2 | I959 R965 R966 L967 | I959-D963 WeakPolarHBondContact CG2-OD2 3.38Å; I959-D963 PolarHBondContact O-N 3.44Å; D963-R965 VanDerWaalsContact C-N 3.28Å; D963-R965 PolarHBondContact O-N 3.15Å; D963-R966 PolarHBondContact O-N 2.92Å; D963-R966 WeakPolarHBondContact OD1-CD 3.47Å; D963-R966 IonicContact OD1-CZ 2.69Å; D963-R966 IonicContact OD1-NE 3.18Å; D963-R966 IonicContact OD1-NH1 3.8Å; D963-R966 PolarHBondContact OD1-NH1 3.19Å; D963-L967 WeakPolarHBondContact O-CB 3.4Å; D963-L967 VanDerWaalsContact O-CG 3.28Å; D963-L967 WeakPolarHBondContact O-CG 3.49Å; D963-L967 PolarHBondContact O-N 3.08Å |
| 964 | K | 94.5 | Very high | 90.6 | Very high | 126 Ų | 126 | 107.2 Ų | 107.2 | 55% | 0.548 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.8 | -28.2 | 168.7 | -166.3 | 162.8 | -168.8 | 158.8 | 0 | 113.2 | L960 D962 R968 | L960-K964 WeakPolarHBondContact O-CB 3.31Å; L960-K964 PolarHBondContact O-N 2.94Å; D962-K964 VanDerWaalsContact C-N 3.34Å; K964-R968 PolarHBondContact O-N 2.86Å |
| 965 | R | 94.1 | Very high | 89.9 | Confident | 126 Ų | 126 | 105.3 Ų | 105.3 | 48% | 0.475 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -72.9 | -44.4 | 168.7 | -78.2 | -178.4 | -71.8 | -87 | 19.7 | 111.7 | D961 D962 D963 R968 L969 | D961-R965 WeakPolarHBondContact O-CG 3.35Å; D961-R965 VanDerWaalsContact O-CZ 3.25Å; D961-R965 PolarHBondContact O-N 2.77Å; D961-R965 PolarHBondContact O-NH1 3.39Å; D962-R965 CarbonylContact O-C 3.6Å; D962-R965 WeakPolarHBondContact O-CA 3.5Å; D962-R965 WeakPolarHBondContact O-CB 3.5Å; D962-R965 PolarHBondContact O-N 3.09Å; D962-R965 VanDerWaalsContact O-N 3.09Å; D962-R965 IonicContact OD1-CZ 2.74Å; D962-R965 IonicContact OD1-NE 2.68Å; D962-R965 PolarHBondContact OD1-NE 2.91Å; D962-R965 IonicContact OD1-NH2 3.57Å; D962-R965 PolarHBondContact OD1-NH2 3.03Å; D962-R965 IonicContact OD2-CZ 3.49Å; D962-R965 IonicContact OD2-NH2 2.63Å; D962-R965 PolarHBondContact OD2-NH2 2.85Å; D963-R965 VanDerWaalsContact C-N 3.28Å; D963-R965 PolarHBondContact O-N 3.15Å; R965-R968 PolarHBondContact O-N 3.39Å; R965-L969 WeakPolarHBondContact O-CB 3.39Å; R965-L969 PolarHBondContact O-N 3.42Å |
| 966 | R | 92.3 | Very high | 88.3 | Confident | 132 Ų | 132 | 104.8 Ų | 104.8 | 50% | 0.498 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62 | -47 | 178 | -71.1 | 158.6 | 174 | 174.4 | -1.8 | 111.1 | D962 D963 R968 L969 Y970 | D962-R966 VanDerWaalsContact O-CG 3.3Å; D962-R966 WeakPolarHBondContact O-CG 3.14Å; D962-R966 PolarHBondContact O-N 3.17Å; D963-R966 PolarHBondContact O-N 2.92Å; D963-R966 WeakPolarHBondContact OD1-CD 3.47Å; D963-R966 IonicContact OD1-CZ 2.69Å; D963-R966 IonicContact OD1-NE 3.18Å; D963-R966 IonicContact OD1-NH1 3.8Å; D963-R966 PolarHBondContact OD1-NH1 3.19Å; R966-R968 VanDerWaalsContact C-N 3.34Å; R966-R968 PolarHBondContact O-N 3.11Å; R966-L969 CarbonylContact O-C 3.59Å; R966-L969 WeakPolarHBondContact O-CA 3.33Å; R966-L969 WeakPolarHBondContact O-CB 3.45Å; R966-L969 PolarHBondContact O-N 2.91Å; R966-Y970 HydrophobicContact CB-CD2 4.46Å; R966-Y970 HydrophobicContact CB-CE2 4.05Å; R966-Y970 WeakPolarHBondContact O-CD2 3.32Å; R966-Y970 PolarHBondContact O-N 2.9Å |
| 967 | L | 90 | Very high | 86.4 | Confident | 105 Ų | 105 | 107.8 Ų | 107.8 | 55% | 0.55 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -56.8 | -44.8 | 175.1 | -74.4 | 169.5 | 0 | 0 | 0 | 111.6 | D963 Y970 Q971 | D963-L967 WeakPolarHBondContact O-CB 3.4Å; D963-L967 VanDerWaalsContact O-CG 3.28Å; D963-L967 WeakPolarHBondContact O-CG 3.49Å; D963-L967 PolarHBondContact O-N 3.08Å; L967-Y970 PolarHBondContact O-N 3.49Å; L967-Q971 WeakPolarHBondContact O-CB 3.35Å; L967-Q971 VanDerWaalsContact O-CG 3.24Å; L967-Q971 WeakPolarHBondContact O-CG 3.43Å; L967-Q971 PolarHBondContact O-N 3.29Å |
| 968 | R | 84.8 | Confident | 84.3 | Confident | 141 Ų | 141 | 103.7 Ų | 103.7 | 53% | 0.532 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 171 | -77.4 | 178.9 | 174.8 | 156.6 | -1.9 | 112.9 | K964 R965 R966 Y970 Q971 D972 | K964-R968 PolarHBondContact O-N 2.86Å; R965-R968 PolarHBondContact O-N 3.39Å; R966-R968 VanDerWaalsContact C-N 3.34Å; R966-R968 PolarHBondContact O-N 3.11Å; R968-Y970 PolarHBondContact O-N 3.37Å; R968-Y970 VanDerWaalsContact O-N 3.14Å; R968-Q971 PolarHBondContact O-N 2.91Å; R968-D972 WeakPolarHBondContact O-CB 3.24Å; R968-D972 PolarHBondContact O-N 3.34Å |
| 969 | L | 87.4 | Confident | 82.3 | Confident | 105 Ų | 105 | 103.3 Ų | 103.3 | 55% | 0.55 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.5 | -14.1 | 176.5 | -160.5 | 78.5 | 0 | 0 | 0 | 113.6 | R965 R966 R973 | R965-L969 WeakPolarHBondContact O-CB 3.39Å; R965-L969 PolarHBondContact O-N 3.42Å; R966-L969 CarbonylContact O-C 3.59Å; R966-L969 WeakPolarHBondContact O-CA 3.33Å; R966-L969 WeakPolarHBondContact O-CB 3.45Å; R966-L969 PolarHBondContact O-N 2.91Å; L969-R973 WeakPolarHBondContact O-CB 3.45Å; L969-R973 PolarHBondContact O-NE 3.09Å; L969-R973 PolarHBondContact O-NH2 3.37Å |
| 970 | Y | 88.4 | Confident | 80.2 | Confident | 117 Ų | 117 | 103.4 Ų | 103.4 | 46% | 0.459 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -93 | -41.1 | 168.3 | -63.6 | -48.3 | 0 | 0 | 0 | 111 | R966 L967 R968 R973 Y974 | R966-Y970 HydrophobicContact CB-CD2 4.46Å; R966-Y970 HydrophobicContact CB-CE2 4.05Å; R966-Y970 WeakPolarHBondContact O-CD2 3.32Å; R966-Y970 PolarHBondContact O-N 2.9Å; L967-Y970 PolarHBondContact O-N 3.49Å; R968-Y970 PolarHBondContact O-N 3.37Å; R968-Y970 VanDerWaalsContact O-N 3.14Å; Y970-R973 PolarHBondContact O-N 3.39Å; Y970-Y974 HydrophobicContact CD1-CD2 4.39Å; Y970-Y974 AromaticContact CD1-CE2 3.8Å; Y970-Y974 HydrophobicContact CD1-CE2 3.8Å; Y970-Y974 HydrophobicContact CG-CE2 4.44Å; Y970-Y974 WeakPolarHBondContact O-CB 3.45Å; Y970-Y974 VanDerWaalsContact O-CD2 3.27Å; Y970-Y974 WeakPolarHBondContact O-CD2 3.36Å; Y970-Y974 PolarHBondContact O-N 2.89Å |
| 971 | Q | 77.8 | Confident | 78 | Confident | 72 Ų | 72 | 104.7 Ų | 104.7 | 34% | 0.336 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58 | -54.4 | 174.4 | -73 | 164.6 | -23.1 | 0 | 0 | 111.6 | L967 R968 R973 Y974 L975 L980 | L967-Q971 WeakPolarHBondContact O-CB 3.35Å; L967-Q971 VanDerWaalsContact O-CG 3.24Å; L967-Q971 WeakPolarHBondContact O-CG 3.43Å; L967-Q971 PolarHBondContact O-N 3.29Å; R968-Q971 PolarHBondContact O-N 2.91Å; Q971-R973 PolarHBondContact O-N 3.22Å; Q971-Y974 PolarHBondContact O-N 3.34Å; Q971-L975 HydrophobicContact CB-CD1 4.24Å; Q971-L975 HydrophobicContact CG-CD1 4.25Å; Q971-L975 WeakPolarHBondContact O-CB 3.44Å; Q971-L975 PolarHBondContact O-N 3.41Å; Q971-L980 HydrophobicContact CB-CD1 4.02Å; Q971-L980 HydrophobicContact CB-CD2 4.11Å; Q971-L980 HydrophobicContact CG-CD1 4.18Å |
| 972 | D | 79.9 | Confident | 75.8 | Confident | 103 Ų | 103 | 105.9 Ų | 105.9 | 55% | 0.551 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.1 | -8.6 | 178.1 | -60.8 | -15.1 | 0 | 0 | 0 | 114.1 | R968 L980 | R968-D972 WeakPolarHBondContact O-CB 3.24Å; R968-D972 PolarHBondContact O-N 3.34Å; D972-L980 WeakPolarHBondContact OD1-CD2 3.23Å |
| 973 | R | 79.9 | Confident | 73.7 | Confident | 140 Ų | 140 | 110.8 Ų | 110.8 | 53% | 0.528 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -122 | -25.7 | -171.6 | 174.2 | 161.3 | 40.9 | 163.7 | -0.5 | 114.1 | L969 Y970 Q971 | L969-R973 WeakPolarHBondContact O-CB 3.45Å; L969-R973 PolarHBondContact O-NE 3.09Å; L969-R973 PolarHBondContact O-NH2 3.37Å; Y970-R973 PolarHBondContact O-N 3.39Å; Q971-R973 PolarHBondContact O-N 3.22Å |
| 974 | Y | 78.6 | Confident | 71.9 | Confident | 176 Ų | 176 | 109.7 Ų | 109.7 | 69% | 0.69 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -111.2 | -20.9 | 178 | -63.5 | -61.5 | 0 | 0 | 0 | 113.2 | Y970 Q971 | Y970-Y974 HydrophobicContact CD1-CD2 4.39Å; Y970-Y974 AromaticContact CD1-CE2 3.8Å; Y970-Y974 HydrophobicContact CD1-CE2 3.8Å; Y970-Y974 HydrophobicContact CG-CE2 4.44Å; Y970-Y974 WeakPolarHBondContact O-CB 3.45Å; Y970-Y974 VanDerWaalsContact O-CD2 3.27Å; Y970-Y974 WeakPolarHBondContact O-CD2 3.36Å; Y970-Y974 PolarHBondContact O-N 2.89Å; Q971-Y974 PolarHBondContact O-N 3.34Å |
| 975 | L | 79.2 | Confident | 69.7 | Low | 71 Ų | 71 | 110.1 Ų | 110.1 | 37% | 0.372 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -103.6 | 142.3 | 167.4 | -61.1 | 92.9 | 0 | 0 | 0 | 109.3 | Q971 D979 | Q971-L975 HydrophobicContact CB-CD1 4.24Å; Q971-L975 HydrophobicContact CG-CD1 4.25Å; Q971-L975 WeakPolarHBondContact O-CB 3.44Å; Q971-L975 PolarHBondContact O-N 3.41Å; L975-D979 HydrophobicContact CB-CB 4.4Å; L975-D979 HydrophobicContact CD2-CB 4.12Å |
| 976 | A | 61.2 | Low | 67.4 | Low | 84 Ų | 84 | 107.3 Ų | 107.3 | 69% | 0.694 | 58% | 0.575 | S | S | * | * | trans | -76.2 | 150.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G978 D979 | A976-G978 VanDerWaalsContact C-N 3.3Å; A976-G978 PolarHBondContact O-N 2.8Å; A976-D979 PolarHBondContact O-N 3.2Å; A976-D979 VanDerWaalsContact O-N 3.14Å | ||
| 977 | D | 56.4 | Low | 65.7 | Low | 165 Ų | 165 | 112.6 Ų | 112.6 | 88% | 0.882 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.2 | 83.8 | 175.1 | -87.3 | -34.9 | 0 | 0 | 0 | 112.5 | ||
| 978 | G | 50.8 | Low | 63.8 | Low | 45 Ų | 45 | 111.4 Ų | 111.4 | 46% | 0.464 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 164.5 | -44.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A976 H981 | A976-G978 VanDerWaalsContact C-N 3.3Å; A976-G978 PolarHBondContact O-N 2.8Å; G978-H981 PolarHBondContact O-N 2.86Å |
| 979 | D | 53.7 | Low | 62.6 | Low | 102 Ų | 102 | 114.2 Ų | 114.2 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -73 | -38.4 | -174.5 | -151.3 | 7.5 | 0 | 0 | 0 | 111.9 | L975 A976 H981 S982 | L975-D979 HydrophobicContact CB-CB 4.4Å; L975-D979 HydrophobicContact CD2-CB 4.12Å; A976-D979 PolarHBondContact O-N 3.2Å; A976-D979 VanDerWaalsContact O-N 3.14Å; D979-H981 PolarHBondContact O-N 3.05Å; D979-S982 WeakPolarHBondContact O-CB 3.38Å; D979-S982 PolarHBondContact O-N 2.87Å; D979-S982 VanDerWaalsContact O-N 3.14Å; D979-S982 PolarHBondContact O-OG 2.94Å |
| 980 | L | 52.3 | Low | 61.2 | Low | 64 Ų | 64 | 120 Ų | 120 | 34% | 0.335 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -66.6 | 1.9 | 175.7 | -157.7 | 64.1 | 0 | 0 | 0 | 114.4 | Q971 D972 | Q971-L980 HydrophobicContact CB-CD1 4.02Å; Q971-L980 HydrophobicContact CB-CD2 4.11Å; Q971-L980 HydrophobicContact CG-CD1 4.18Å; D972-L980 WeakPolarHBondContact OD1-CD2 3.23Å |
| 981 | H | 49.9 | Very low | 59.3 | Low | 147 Ų | 147 | 121.6 Ų | 121.6 | 68% | 0.681 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -102.8 | 7.6 | 174.9 | -67.6 | 99.8 | 0 | 0 | 0 | 113.6 | G978 D979 | G978-H981 PolarHBondContact O-N 2.86Å; D979-H981 PolarHBondContact O-N 3.05Å |
| 982 | S | 49.5 | Very low | 58.6 | Low | 95 Ų | 95 | 129.2 Ų | 129.2 | 66% | 0.664 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -74.4 | -42.4 | 166.3 | 54.4 | 0 | 0 | 0 | 0 | 112 | D979 G984 | D979-S982 WeakPolarHBondContact O-CB 3.38Å; D979-S982 PolarHBondContact O-N 2.87Å; D979-S982 VanDerWaalsContact O-N 3.14Å; D979-S982 PolarHBondContact O-OG 2.94Å; S982-G984 PolarHBondContact O-N 3.07Å |
| 983 | D | 51.7 | Low | 57.2 | Low | 151 Ų | 151 | 134.2 Ų | 134.2 | 81% | 0.807 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -73.8 | 49.1 | 177.9 | -172.1 | 31.3 | 0 | 0 | 0 | 113.1 | ||
| 984 | G | 56.9 | Low | 56 | Low | 37 Ų | 37 | 137.1 Ų | 137.1 | 38% | 0.381 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -174 | 131.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S982 G986 | S982-G984 PolarHBondContact O-N 3.07Å; G984-G986 PolarHBondContact O-N 3.27Å |
| 985 | P | 48.4 | Very low | 54.4 | Low | 134 Ų | 134 | 136.6 Ų | 136.6 | 87% | 0.87 | 70% | 0.698 | S | S | * | * | trans | -54.3 | 98.5 | -172.9 | -30.8 | 36.6 | 0 | 0 | 0 | 114.1 | R987 | P985-R987 PolarHBondContact O-N 3.16Š| ||
| 986 | G | 46.3 | Very low | 52.7 | Low | 67 Ų | 67 | 139.6 Ų | 139.6 | 69% | 0.691 | 71% | 0.713 | S | S | * | * | trans | -54.3 | 121.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | G984 A988 | G984-G986 PolarHBondContact O-N 3.27Å; G986-A988 PolarHBondContact O-N 3.19Å | ||
| 987 | R | 56.9 | Low | 51.7 | Low | 244 Ų | 244 | 143.2 Ų | 143.2 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | trans | -75.8 | 57.4 | -173.8 | -70.1 | -173.4 | 179.6 | -103.3 | 0.4 | 112.9 | P985 R989 | P985-R987 PolarHBondContact O-N 3.16Å; R987-R989 PolarHBondContact O-N 3.41Å; R987-R989 VanDerWaalsContact O-N 3.09Å | ||
| 988 | A | 49.3 | Very low | 51.1 | Low | 79 Ų | 79 | 140.6 Ų | 140.6 | 65% | 0.653 | 72% | 0.722 | S | S | * | * | trans | -54.9 | 112.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.2 | G986 R990 | G986-A988 PolarHBondContact O-N 3.19Å; A988-R990 VanDerWaalsContact C-N 3.28Å; A988-R990 PolarHBondContact O-N 3.2Å | ||
| 989 | R | 60.7 | Low | 50.9 | Low | 200 Ų | 200 | 141.9 Ų | 141.9 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -71.6 | 82 | 177.8 | -76 | 172.9 | 63.3 | -165.5 | 3.5 | 110.3 | R987 F991 | R987-R989 PolarHBondContact O-N 3.41Å; R987-R989 VanDerWaalsContact O-N 3.09Å; R989-F991 VanDerWaalsContact C-N 3.3Å; R989-F991 HydrophobicContact CB-CD2 4.41Å; R989-F991 HydrophobicContact CB-CE2 4.37Å; R989-F991 WeakPolarHBondContact O-CD2 3.5Å; R989-F991 PolarHBondContact O-N 3.37Å | ||
| 990 | R | 57.2 | Low | 49.8 | Very low | 226 Ų | 226 | 146.7 Ų | 146.7 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | -66 | 82.9 | 176.3 | -64 | 179.4 | 77.4 | 177.8 | 7.3 | 111.2 | A988 R992 | A988-R990 VanDerWaalsContact C-N 3.28Å; A988-R990 PolarHBondContact O-N 3.2Å; R990-R992 PolarHBondContact O-N 3.47Å; R990-R992 VanDerWaalsContact O-N 3.08Å | ||
| 991 | F | 49 | Very low | 49.3 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | trans | -62 | 105.6 | 174 | -88 | -90.5 | 0 | 0 | 0 | 111 | R989 | R989-F991 VanDerWaalsContact C-N 3.3Å; R989-F991 HydrophobicContact CB-CD2 4.41Å; R989-F991 HydrophobicContact CB-CE2 4.37Å; R989-F991 WeakPolarHBondContact O-CD2 3.5Å; R989-F991 PolarHBondContact O-N 3.37Å | ||
| 992 | R | 63.5 | Low | 48.7 | Very low | 232 Ų | 232 | 147.5 Ų | 147.5 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | -90.7 | 110.3 | 170.8 | -62.3 | -166.4 | 72.2 | -178.9 | 2.8 | 110.2 | R990 K994 | R990-R992 PolarHBondContact O-N 3.47Å; R990-R992 VanDerWaalsContact O-N 3.08Å; R992-K994 PolarHBondContact O-N 3.04Å | ||
| 993 | W | 49.9 | Very low | 47.8 | Very low | 208 Ų | 208 | 149.1 Ų | 149.1 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | trans | -67.3 | 99.9 | 173.9 | -76.8 | 66.4 | 0 | 0 | 0 | 110.3 | N995 I996 | W993-N995 PolarHBondContact O-N 2.78Å; W993-I996 HydrophobicContact CB-CD1 3.94Å; W993-I996 HydrophobicContact CB-CG1 4.27Å | ||
| 994 | K | 54.1 | Low | 47.3 | Very low | 200 Ų | 200 | 146.3 Ų | 146.3 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -82.2 | 65.2 | 179.7 | -167.2 | -177.7 | -179.6 | -178.9 | 0 | 111.1 | R992 | R992-K994 PolarHBondContact O-N 3.04Š|
| 995 | N | 44.8 | Very low | 46.3 | Very low | 165 Ų | 165 | 149 Ų | 149 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | 174.6 | 65.3 | 159 | -88.3 | -15.9 | 0 | 0 | 0 | 110.2 | W993 | W993-N995 PolarHBondContact O-N 2.78Š| ||
| 996 | I | 45.3 | Very low | 45.6 | Very low | 135 Ų | 135 | 150.2 Ų | 150.2 | 69% | 0.692 | 81% | 0.807 | S | S | * | * | trans | -127.7 | 117.8 | 164.8 | -55.7 | 179.8 | 0 | 0 | 0 | 106.8 | W993 | W993-I996 HydrophobicContact CB-CD1 3.94Å; W993-I996 HydrophobicContact CB-CG1 4.27Å | ||
| 997 | D | 38.9 | Very low | 44.8 | Very low | 159 Ų | 159 | 151 Ų | 151 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | trans | -69.4 | 149.7 | 175.5 | -101.7 | -42.7 | 0 | 0 | 0 | 111 | G999 | D997-G999 PolarHBondContact O-N 3.42Š| ||
| 998 | A | 45 | Very low | 43.6 | Very low | 110 Ų | 110 | 147.3 Ų | 147.3 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -73.2 | 106.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 999 | G | 45.8 | Very low | 42.7 | Very low | 73 Ų | 73 | 152.7 Ų | 152.7 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | trans | 172.1 | 46.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | D997 | D997-G999 PolarHBondContact O-N 3.42Š| ||
| 1000 | F | 29.5 | Very low | 41.2 | Very low | 202 Ų | 202 | 149.2 Ų | 149.2 | 89% | 0.886 | 82% | 0.816 | S | S | * | * | trans | -149 | 137 | 158.7 | -161.8 | -101.3 | 0 | 0 | 0 | 111.7 | ||||
| 1001 | D | 42.4 | Very low | 39.8 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | trans | -107 | 136.9 | -170.3 | -60.8 | -41.1 | 0 | 0 | 0 | 112.5 | ||||
| 1002 | G | 37 | Very low | 39.2 | Very low | 80 Ų | 80 | 143.5 Ų | 143.5 | 83% | 0.825 | 82% | 0.821 | S | S | * | * | trans | 85.2 | 108.2 | 142.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1003 | S | 32.2 | Very low | 37.8 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | -149 | 161.5 | 120.4 | -163.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1004 | A | 40.8 | Very low | 37.2 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | trans | -124.4 | 142.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1005 | A | 35 | Very low | 36.6 | Very low | 93 Ų | 93 | 137.3 Ų | 137.3 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | -170.3 | 100.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 1006 | D | 34 | Very low | 36.4 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | 57 | 128.3 | 76.4 | -74.5 | -2.9 | 0 | 0 | 0 | 113 | |||||
| 1007 | G | 29.8 | Very low | 36.8 | Very low | 83 Ų | 83 | 133.1 Ų | 133.1 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 149.1 | 63.3 | -160.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1008 | E | 30.6 | Very low | 37.6 | Very low | 167 Ų | 167 | 129 Ų | 129 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -78 | 130.7 | 175.7 | -64.9 | -178.4 | 154.8 | 0 | 0 | 109.2 | ||||
| 1009 | E | 30.6 | Very low | 38.4 | Very low | 192 Ų | 192 | 128.8 Ų | 128.8 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -139.5 | 95.3 | 159.8 | -172.5 | 162.2 | -146.9 | 0 | 0 | 105.4 | G1011 | E1009-G1011 PolarHBondContact O-N 3.33Š| ||
| 1010 | D | 29.1 | Very low | 39 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 68% | 0.684 | 75% | 0.746 | S | S | * | * | trans | -75.5 | 92.1 | -176 | -77.6 | -33 | 0 | 0 | 0 | 109.6 | ||||
| 1011 | G | 29.3 | Very low | 41 | Very low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | -92.2 | 100.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | E1009 E1013 | E1009-G1011 PolarHBondContact O-N 3.33Å; G1011-E1013 VanDerWaalsContact C-N 3.35Å; G1011-E1013 PolarHBondContact O-N 3.35Å | ||
| 1012 | E | 35.2 | Very low | 42.2 | Very low | 186 Ų | 186 | 117.1 Ų | 117.1 | 87% | 0.869 | 70% | 0.698 | S | S | * | * | trans | -79.7 | 75.2 | -179.5 | -65.1 | -172.7 | 163.2 | 0 | 0 | 111.6 | ||||
| 1013 | E | 35.5 | Very low | 43.6 | Very low | 197 Ų | 197 | 118.2 Ų | 118.2 | 92% | 0.921 | 68% | 0.682 | S | S | * | * | trans | -94.5 | 107.4 | 158.8 | -81.3 | -166.6 | 144.3 | 0 | 0 | 110 | G1011 | G1011-E1013 VanDerWaalsContact C-N 3.35Å; G1011-E1013 PolarHBondContact O-N 3.35Å | ||
| 1014 | E | 35.8 | Very low | 45.3 | Very low | 185 Ų | 185 | 117.5 Ų | 117.5 | 86% | 0.864 | 66% | 0.659 | S | S | * | * | trans | -88 | 125.7 | -177.6 | -166.8 | 162.7 | -132.1 | 0 | 0 | 112 | ||||
| 1015 | D | 41 | Very low | 46.6 | Very low | 127 Ų | 127 | 119.3 Ų | 119.3 | 68% | 0.679 | 65% | 0.647 | S | S | * | * | trans | 46.9 | 65.8 | 162.2 | -80.4 | -16.9 | 0 | 0 | 0 | 119.9 | V1017 | D1015-V1017 HydrophobicContact CB-CG2 4.1Å; D1015-V1017 PolarHBondContact O-N 3.38Å; D1015-V1017 WeakPolarHBondContact OD1-CG2 3.35Å | ||
| 1016 | D | 41.9 | Very low | 48.6 | Very low | 177 Ų | 177 | 121.7 Ų | 121.7 | 95% | 0.947 | 64% | 0.64 | S | S | * | * | trans | -72.1 | 49.1 | 152.3 | -163.1 | 26.6 | 0 | 0 | 0 | 111.6 | ||||
| 1017 | V | 53.4 | Low | 50.6 | Low | 35 Ų | 35 | 116.2 Ų | 116.2 | 21% | 0.212 | 61% | 0.61 | C | S | . | * | trans | -90.1 | 104.2 | 176.4 | -176.5 | 0 | 0 | 0 | 0 | 108.3 | D1015 P1019 E1021 I1022 | D1015-V1017 HydrophobicContact CB-CG2 4.1Å; D1015-V1017 PolarHBondContact O-N 3.38Å; D1015-V1017 WeakPolarHBondContact OD1-CG2 3.35Å; V1017-P1019 VanDerWaalsContact O-N 3.13Å; V1017-E1021 HydrophobicContact CG1-CB 4.38Å; V1017-E1021 HydrophobicContact CG1-CG 4.35Å; V1017-I1022 HydrophobicContact CB-CD1 4.23Å; V1017-I1022 HydrophobicContact CB-CG1 4.08Å; V1017-I1022 HydrophobicContact CG1-CD1 4.32Å; V1017-I1022 HydrophobicContact CG1-CG1 3.61Å; V1017-I1022 WeakPolarHBondContact O-CD1 3.19Å | ||
| 1018 | D | 56.3 | Low | 52.9 | Low | 74 Ų | 74 | 119.2 Ų | 119.2 | 40% | 0.396 | 60% | 0.596 | S | S | . | * | trans | -24.8 | 115.6 | 171.5 | 163.5 | 27 | 0 | 0 | 0 | 111.2 | A1020 E1021 I1022 R1024 | D1018-A1020 PolarHBondContact O-N 3.2Å; D1018-A1020 VanDerWaalsContact OD1-CB 3.3Å; D1018-A1020 WeakPolarHBondContact OD1-CB 3.45Å; D1018-A1020 PolarHBondContact OD1-N 3.27Å; D1018-E1021 HydrophobicContact CB-CB 3.82Å; D1018-E1021 CarbonylContact O-C 3.56Å; D1018-E1021 VanDerWaalsContact O-CA 3.27Å; D1018-E1021 WeakPolarHBondContact O-CA 3.39Å; D1018-E1021 VanDerWaalsContact O-CB 3.23Å; D1018-E1021 WeakPolarHBondContact O-CB 3.47Å; D1018-E1021 PolarHBondContact O-N 3.33Å; D1018-E1021 PolarHBondContact OD2-N 2.87Å; D1018-I1022 PolarHBondContact O-N 3.3Å; D1018-R1024 IonicContact OD2-CZ 3.24Å; D1018-R1024 IonicContact OD2-NH1 3.04Å; D1018-R1024 PolarHBondContact OD2-NH1 3.23Å; D1018-R1024 IonicContact OD2-NH2 2.65Å; D1018-R1024 PolarHBondContact OD2-NH2 2.79Å | ||
| 1019 | P | 60.2 | Low | 54.8 | Low | 105 Ų | 105 | 116.7 Ų | 116.7 | 68% | 0.682 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.9 | -25.2 | -176.3 | 21.8 | -32.4 | 0 | 0 | 0 | 111.7 | V1017 E1021 I1022 Q1023 | V1017-P1019 VanDerWaalsContact O-N 3.13Å; P1019-E1021 VanDerWaalsContact C-N 3.33Å; P1019-I1022 PolarHBondContact O-N 2.92Å; P1019-Q1023 VanDerWaalsContact O-CB 3.31Å; P1019-Q1023 WeakPolarHBondContact O-CB 3.39Å; P1019-Q1023 PolarHBondContact O-N 2.8Å |
| 1020 | A | 59.1 | Low | 57.2 | Low | 43 Ų | 43 | 112.9 Ų | 112.9 | 36% | 0.355 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -74.5 | -20.5 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1018 R1024 | D1018-A1020 PolarHBondContact O-N 3.2Å; D1018-A1020 VanDerWaalsContact OD1-CB 3.3Å; D1018-A1020 WeakPolarHBondContact OD1-CB 3.45Å; D1018-A1020 PolarHBondContact OD1-N 3.27Å; A1020-R1024 VanDerWaalsContact C-CZ 3.46Å; A1020-R1024 VanDerWaalsContact CB-NH1 3.28Å; A1020-R1024 VanDerWaalsContact O-CB 3.29Å; A1020-R1024 WeakPolarHBondContact O-CB 3.33Å; A1020-R1024 WeakPolarHBondContact O-CG 3.44Å; A1020-R1024 PolarHBondContact O-N 2.84Å; A1020-R1024 PolarHBondContact O-NE 3.17Å; A1020-R1024 PolarHBondContact O-NH1 3.21Å |
| 1021 | E | 71.9 | Confident | 59.5 | Low | 46 Ų | 46 | 113.9 Ų | 113.9 | 22% | 0.215 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -79.3 | -39.1 | 169.4 | -176.6 | 57.6 | -164 | 0 | 0 | 111.9 | V1017 D1018 P1019 Q1023 R1024 R1025 | V1017-E1021 HydrophobicContact CG1-CB 4.38Å; V1017-E1021 HydrophobicContact CG1-CG 4.35Å; D1018-E1021 HydrophobicContact CB-CB 3.82Å; D1018-E1021 CarbonylContact O-C 3.56Å; D1018-E1021 VanDerWaalsContact O-CA 3.27Å; D1018-E1021 WeakPolarHBondContact O-CA 3.39Å; D1018-E1021 VanDerWaalsContact O-CB 3.23Å; D1018-E1021 WeakPolarHBondContact O-CB 3.47Å; D1018-E1021 PolarHBondContact O-N 3.33Å; D1018-E1021 PolarHBondContact OD2-N 2.87Å; P1019-E1021 VanDerWaalsContact C-N 3.33Å; E1021-Q1023 VanDerWaalsContact C-N 3.33Å; E1021-R1024 VanDerWaalsContact CB-NH2 3.28Å; E1021-R1024 PolarHBondContact O-N 3.07Å; E1021-R1024 IonicContact OE2-CZ 2.62Å; E1021-R1024 VanDerWaalsContact OE2-CZ 3.23Å; E1021-R1024 IonicContact OE2-NE 3.94Å; E1021-R1024 PolarHBondContact OE2-NE 2.79Å; E1021-R1024 IonicContact OE2-NH2 2.69Å; E1021-R1024 PolarHBondContact OE2-NH2 3.34Å; E1021-R1025 VanDerWaalsContact O-CG 3.29Å; E1021-R1025 WeakPolarHBondContact O-CG 3.43Å; E1021-R1025 PolarHBondContact O-N 3.1Å; E1021-R1025 IonicContact OE1-CZ 2.71Å; E1021-R1025 IonicContact OE1-NE 3.66Å; E1021-R1025 PolarHBondContact OE1-NE 3.38Å; E1021-R1025 IonicContact OE1-NH2 3.75Å; E1021-R1025 PolarHBondContact OE1-NH2 3.28Å |
| 1022 | I | 67.1 | Low | 61.3 | Low | 89 Ų | 89 | 116 Ų | 116 | 46% | 0.456 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.7 | -49.4 | 167.9 | -55.9 | -179.5 | 0 | 0 | 0 | 108.9 | V1017 D1018 P1019 R1024 R1025 K1026 | V1017-I1022 HydrophobicContact CB-CD1 4.23Å; V1017-I1022 HydrophobicContact CB-CG1 4.08Å; V1017-I1022 HydrophobicContact CG1-CD1 4.32Å; V1017-I1022 HydrophobicContact CG1-CG1 3.61Å; V1017-I1022 WeakPolarHBondContact O-CD1 3.19Å; D1018-I1022 PolarHBondContact O-N 3.3Å; P1019-I1022 PolarHBondContact O-N 2.92Å; I1022-R1024 PolarHBondContact O-N 2.89Å; I1022-R1025 WeakPolarHBondContact O-CA 3.05Å; I1022-R1025 WeakPolarHBondContact O-CB 3.42Å; I1022-R1025 PolarHBondContact O-N 3.22Å; I1022-K1026 PolarHBondContact O-N 3.41Å |
| 1023 | Q | 66 | Low | 63 | Low | 104 Ų | 104 | 112.4 Ų | 112.4 | 49% | 0.486 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -56.2 | -50.7 | 175 | -163 | 69.5 | 21.6 | 0 | 0 | 111 | P1019 E1021 R1025 K1026 D1027 | P1019-Q1023 VanDerWaalsContact O-CB 3.31Å; P1019-Q1023 WeakPolarHBondContact O-CB 3.39Å; P1019-Q1023 PolarHBondContact O-N 2.8Å; E1021-Q1023 VanDerWaalsContact C-N 3.33Å; Q1023-R1025 PolarHBondContact O-N 2.96Å; Q1023-K1026 PolarHBondContact O-N 2.82Å; Q1023-D1027 VanDerWaalsContact O-CB 3.26Å; Q1023-D1027 WeakPolarHBondContact O-CB 3.27Å; Q1023-D1027 PolarHBondContact O-N 3.23Å |
| 1024 | R | 68.3 | Low | 65.2 | Low | 113 Ų | 113 | 110.3 Ų | 110.3 | 43% | 0.426 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.8 | -16.4 | 175.9 | -78.7 | 179.3 | -50.4 | -98.2 | 12.3 | 114.8 | D1018 A1020 E1021 I1022 R1028 | D1018-R1024 IonicContact OD2-CZ 3.24Å; D1018-R1024 IonicContact OD2-NH1 3.04Å; D1018-R1024 PolarHBondContact OD2-NH1 3.23Å; D1018-R1024 IonicContact OD2-NH2 2.65Å; D1018-R1024 PolarHBondContact OD2-NH2 2.79Å; A1020-R1024 VanDerWaalsContact C-CZ 3.46Å; A1020-R1024 VanDerWaalsContact CB-NH1 3.28Å; A1020-R1024 VanDerWaalsContact O-CB 3.29Å; A1020-R1024 WeakPolarHBondContact O-CB 3.33Å; A1020-R1024 WeakPolarHBondContact O-CG 3.44Å; A1020-R1024 PolarHBondContact O-N 2.84Å; A1020-R1024 PolarHBondContact O-NE 3.17Å; A1020-R1024 PolarHBondContact O-NH1 3.21Å; E1021-R1024 VanDerWaalsContact CB-NH2 3.28Å; E1021-R1024 PolarHBondContact O-N 3.07Å; E1021-R1024 IonicContact OE2-CZ 2.62Å; E1021-R1024 VanDerWaalsContact OE2-CZ 3.23Å; E1021-R1024 IonicContact OE2-NE 3.94Å; E1021-R1024 PolarHBondContact OE2-NE 2.79Å; E1021-R1024 IonicContact OE2-NH2 2.69Å; E1021-R1024 PolarHBondContact OE2-NH2 3.34Å; I1022-R1024 PolarHBondContact O-N 2.89Å; R1024-R1028 WeakPolarHBondContact O-CB 3.45Å |
| 1025 | R | 68.7 | Low | 67 | Low | 129 Ų | 129 | 106.5 Ų | 106.5 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -88 | -45.5 | 171.5 | -69.7 | 165.4 | -168.3 | 174.2 | 5.9 | 110.8 | E1021 I1022 Q1023 R1028 L1029 | E1021-R1025 VanDerWaalsContact O-CG 3.29Å; E1021-R1025 WeakPolarHBondContact O-CG 3.43Å; E1021-R1025 PolarHBondContact O-N 3.1Å; E1021-R1025 IonicContact OE1-CZ 2.71Å; E1021-R1025 IonicContact OE1-NE 3.66Å; E1021-R1025 PolarHBondContact OE1-NE 3.38Å; E1021-R1025 IonicContact OE1-NH2 3.75Å; E1021-R1025 PolarHBondContact OE1-NH2 3.28Å; I1022-R1025 WeakPolarHBondContact O-CA 3.05Å; I1022-R1025 WeakPolarHBondContact O-CB 3.42Å; I1022-R1025 PolarHBondContact O-N 3.22Å; Q1023-R1025 PolarHBondContact O-N 2.96Å; R1025-R1028 PolarHBondContact O-N 3.18Å; R1025-R1028 VanDerWaalsContact O-N 3.15Å; R1025-L1029 WeakPolarHBondContact O-CB 3.42Å; R1025-L1029 PolarHBondContact O-N 3.13Å |
| 1026 | K | 76.3 | Confident | 68.6 | Low | 144 Ų | 144 | 107.3 Ų | 107.3 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.5 | -54.8 | 171.9 | -164.4 | 170.8 | -178.5 | 176.1 | 0 | 110.7 | I1022 Q1023 R1028 L1029 E1030 | I1022-K1026 PolarHBondContact O-N 3.41Å; Q1023-K1026 PolarHBondContact O-N 2.82Å; K1026-R1028 PolarHBondContact O-N 2.92Å; K1026-L1029 PolarHBondContact O-N 3.32Å; K1026-L1029 VanDerWaalsContact O-N 3.12Å; K1026-E1030 VanDerWaalsContact O-CB 3.22Å; K1026-E1030 WeakPolarHBondContact O-CB 3.4Å; K1026-E1030 PolarHBondContact O-N 2.99Å |
| 1027 | D | 75.5 | Confident | 70.2 | Confident | 44 Ų | 44 | 104.1 Ų | 104.1 | 24% | 0.235 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -49.9 | -29.7 | 173 | -105.9 | 77.3 | 0 | 0 | 0 | 114.3 | Q1023 R1031 | Q1023-D1027 VanDerWaalsContact O-CB 3.26Å; Q1023-D1027 WeakPolarHBondContact O-CB 3.27Å; Q1023-D1027 PolarHBondContact O-N 3.23Å; D1027-R1031 VanDerWaalsContact CB-NH1 3.31Å; D1027-R1031 WeakPolarHBondContact O-CB 3.47Å; D1027-R1031 VanDerWaalsContact O-CG 3.26Å; D1027-R1031 WeakPolarHBondContact O-CG 3.35Å; D1027-R1031 PolarHBondContact O-N 3.43Å; D1027-R1031 PolarHBondContact O-NH1 2.86Å; D1027-R1031 IonicContact OD2-CZ 2.64Å; D1027-R1031 IonicContact OD2-NH1 3.6Å; D1027-R1031 PolarHBondContact OD2-NH1 3.49Å; D1027-R1031 IonicContact OD2-NH2 3.9Å; D1027-R1031 PolarHBondContact OD2-NH2 3.4Å |
| 1028 | R | 79 | Confident | 70.7 | Confident | 147 Ų | 147 | 105.4 Ų | 105.4 | 56% | 0.555 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -87.8 | -44.2 | -179.2 | -171.6 | -175.9 | -50.8 | 161.8 | 12.9 | 111.5 | R1024 R1025 K1026 R1031 E1032 | R1024-R1028 WeakPolarHBondContact O-CB 3.45Å; R1025-R1028 PolarHBondContact O-N 3.18Å; R1025-R1028 VanDerWaalsContact O-N 3.15Å; K1026-R1028 PolarHBondContact O-N 2.92Å; R1028-R1031 PolarHBondContact O-N 3.33Å; R1028-E1032 PolarHBondContact O-N 3.43Å |
| 1029 | L | 70.8 | Confident | 71.1 | Confident | 114 Ų | 114 | 105.9 Ų | 105.9 | 60% | 0.597 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.3 | -45.6 | 178.4 | -152.3 | 166.9 | 0 | 0 | 0 | 109.4 | R1025 K1026 R1031 E1032 Q1033 | R1025-L1029 WeakPolarHBondContact O-CB 3.42Å; R1025-L1029 PolarHBondContact O-N 3.13Å; K1026-L1029 PolarHBondContact O-N 3.32Å; K1026-L1029 VanDerWaalsContact O-N 3.12Å; L1029-R1031 PolarHBondContact O-N 3.08Å; L1029-E1032 CarbonylContact O-C 3.6Å; L1029-E1032 PolarHBondContact O-N 2.84Å; L1029-Q1033 VanDerWaalsContact O-CB 3.25Å; L1029-Q1033 WeakPolarHBondContact O-CB 3.48Å; L1029-Q1033 PolarHBondContact O-N 2.92Å |
| 1030 | E | 81.8 | Confident | 71.3 | Confident | 112 Ų | 112 | 104.8 Ų | 104.8 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.4 | -45.4 | 173 | -175 | -177 | -170.1 | 0 | 0 | 112.4 | K1026 Q1033 W1034 | K1026-E1030 VanDerWaalsContact O-CB 3.22Å; K1026-E1030 WeakPolarHBondContact O-CB 3.4Å; K1026-E1030 PolarHBondContact O-N 2.99Å; E1030-Q1033 PolarHBondContact O-N 3.25Å; E1030-W1034 WeakPolarHBondContact O-CB 3.33Å; E1030-W1034 PolarHBondContact O-N 2.91Å |
| 1031 | R | 75.7 | Confident | 71.5 | Confident | 148 Ų | 148 | 108.6 Ų | 108.6 | 56% | 0.558 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.1 | -35.7 | 175.1 | -77.1 | -174.3 | -166.3 | 87.7 | 3.1 | 113.3 | D1027 R1028 L1029 Q1033 L1035 | D1027-R1031 VanDerWaalsContact CB-NH1 3.31Å; D1027-R1031 WeakPolarHBondContact O-CB 3.47Å; D1027-R1031 VanDerWaalsContact O-CG 3.26Å; D1027-R1031 WeakPolarHBondContact O-CG 3.35Å; D1027-R1031 PolarHBondContact O-N 3.43Å; D1027-R1031 PolarHBondContact O-NH1 2.86Å; D1027-R1031 IonicContact OD2-CZ 2.64Å; D1027-R1031 IonicContact OD2-NH1 3.6Å; D1027-R1031 PolarHBondContact OD2-NH1 3.49Å; D1027-R1031 IonicContact OD2-NH2 3.9Å; D1027-R1031 PolarHBondContact OD2-NH2 3.4Å; R1028-R1031 PolarHBondContact O-N 3.33Å; L1029-R1031 PolarHBondContact O-N 3.08Å; R1031-Q1033 VanDerWaalsContact C-N 3.34Å; R1031-L1035 VanDerWaalsContact O-CB 3.28Å; R1031-L1035 WeakPolarHBondContact O-CB 3.17Å; R1031-L1035 WeakPolarHBondContact O-CG 3.3Å; R1031-L1035 PolarHBondContact O-N 3.25Å |
| 1032 | E | 68.8 | Low | 70.9 | Confident | 117 Ų | 117 | 112.8 Ų | 112.8 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69 | -33.2 | 171.3 | -77.4 | -158.7 | 143.9 | 0 | 0 | 112.2 | R1028 L1029 R1036 | R1028-E1032 PolarHBondContact O-N 3.43Å; L1029-E1032 CarbonylContact O-C 3.6Å; L1029-E1032 PolarHBondContact O-N 2.84Å; E1032-R1036 VanDerWaalsContact O-CB 3.23Å; E1032-R1036 WeakPolarHBondContact O-CB 3.27Å; E1032-R1036 PolarHBondContact O-N 2.95Å |
| 1033 | Q | 70.9 | Confident | 70.1 | Confident | 110 Ų | 110 | 113 Ų | 113 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71 | -49.4 | 177.6 | -167.1 | 165.9 | 28.2 | 0 | 0 | 110.5 | L1029 E1030 R1031 L1035 R1036 E1037 | L1029-Q1033 VanDerWaalsContact O-CB 3.25Å; L1029-Q1033 WeakPolarHBondContact O-CB 3.48Å; L1029-Q1033 PolarHBondContact O-N 2.92Å; E1030-Q1033 PolarHBondContact O-N 3.25Å; R1031-Q1033 VanDerWaalsContact C-N 3.34Å; Q1033-L1035 VanDerWaalsContact C-N 3.33Å; Q1033-L1035 PolarHBondContact O-N 3.09Å; Q1033-R1036 CarbonylContact O-C 3.58Å; Q1033-R1036 WeakPolarHBondContact O-CA 3.41Å; Q1033-R1036 WeakPolarHBondContact O-CB 3.26Å; Q1033-R1036 PolarHBondContact O-N 3Å; Q1033-E1037 WeakPolarHBondContact O-CG 3.28Å; Q1033-E1037 PolarHBondContact O-N 2.78Å |
| 1034 | W | 81.2 | Confident | 69.5 | Low | 153 Ų | 153 | 117.1 Ų | 117.1 | 58% | 0.58 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.3 | -40 | 171.9 | -174.8 | 89.4 | 0 | 0 | 0 | 112.3 | E1030 R1036 Q1038 | E1030-W1034 WeakPolarHBondContact O-CB 3.33Å; E1030-W1034 PolarHBondContact O-N 2.91Å; W1034-R1036 VanDerWaalsContact C-N 3.34Å; W1034-R1036 PolarHBondContact O-N 3.13Å; W1034-Q1038 HydrophobicContact CD2-CG 3.78Å; W1034-Q1038 HydrophobicContact CE3-CG 3.88Å; W1034-Q1038 HydrophobicContact CG-CG 4.5Å; W1034-Q1038 HydrophobicContact CH2-CG 3.84Å; W1034-Q1038 HydrophobicContact CZ2-CG 3.72Å; W1034-Q1038 HydrophobicContact CZ3-CG 3.91Å; W1034-Q1038 WeakPolarHBondContact O-CB 3.18Å; W1034-Q1038 WeakPolarHBondContact O-CG 3.47Å; W1034-Q1038 PolarHBondContact O-N 3.37Å |
| 1035 | L | 73 | Confident | 68.6 | Low | 105 Ų | 105 | 121 Ų | 121 | 55% | 0.55 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | 172.6 | -87.6 | 164.8 | 0 | 0 | 0 | 112.2 | R1031 Q1033 Q1038 T1039 | R1031-L1035 VanDerWaalsContact O-CB 3.28Å; R1031-L1035 WeakPolarHBondContact O-CB 3.17Å; R1031-L1035 WeakPolarHBondContact O-CG 3.3Å; R1031-L1035 PolarHBondContact O-N 3.25Å; Q1033-L1035 VanDerWaalsContact C-N 3.33Å; Q1033-L1035 PolarHBondContact O-N 3.09Å; L1035-Q1038 PolarHBondContact O-N 3.38Å; L1035-T1039 PolarHBondContact O-N 3.37Å; L1035-T1039 PolarHBondContact O-OG1 2.95Å |
| 1036 | R | 74 | Confident | 67.5 | Low | 145 Ų | 145 | 117.6 Ų | 117.6 | 55% | 0.547 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.9 | -46.4 | 178.3 | -166.6 | -179.8 | -53.9 | -97.3 | -2.9 | 111.2 | E1032 Q1033 W1034 Q1038 T1039 E1040 | E1032-R1036 VanDerWaalsContact O-CB 3.23Å; E1032-R1036 WeakPolarHBondContact O-CB 3.27Å; E1032-R1036 PolarHBondContact O-N 2.95Å; Q1033-R1036 CarbonylContact O-C 3.58Å; Q1033-R1036 WeakPolarHBondContact O-CA 3.41Å; Q1033-R1036 WeakPolarHBondContact O-CB 3.26Å; Q1033-R1036 PolarHBondContact O-N 3Å; W1034-R1036 VanDerWaalsContact C-N 3.34Å; W1034-R1036 PolarHBondContact O-N 3.13Å; R1036-Q1038 VanDerWaalsContact C-N 3.32Å; R1036-Q1038 PolarHBondContact O-N 3.39Å; R1036-T1039 WeakPolarHBondContact CA-OG1 3.47Å; R1036-T1039 CarbonylContact O-C 3.57Å; R1036-T1039 WeakPolarHBondContact O-CA 3.46Å; R1036-T1039 PolarHBondContact O-N 2.69Å; R1036-T1039 PolarHBondContact O-OG1 3.2Å; R1036-E1040 PolarHBondContact O-N 3.21Å |
| 1037 | E | 75.6 | Confident | 65.5 | Low | 109 Ų | 109 | 119 Ų | 119 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.5 | -40 | 170.6 | -71.5 | -169.4 | 148.9 | 0 | 0 | 111.9 | Q1033 T1039 E1040 Q1041 | Q1033-E1037 WeakPolarHBondContact O-CG 3.28Å; Q1033-E1037 PolarHBondContact O-N 2.78Å; E1037-T1039 PolarHBondContact O-N 3.36Å; E1037-E1040 CarbonylContact O-C 3.59Å; E1037-E1040 PolarHBondContact O-N 3.44Å; E1037-E1040 VanDerWaalsContact O-N 3.14Å; E1037-Q1041 WeakPolarHBondContact O-CB 3.43Å; E1037-Q1041 WeakPolarHBondContact O-CG 3.43Å; E1037-Q1041 PolarHBondContact O-N 3.19Å |
| 1038 | Q | 65.6 | Low | 63.6 | Low | 62 Ų | 62 | 125.7 Ų | 125.7 | 29% | 0.29 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65.8 | -23 | 173.2 | -79.4 | -67.4 | -35.2 | 0 | 0 | 113 | W1034 L1035 R1036 K1042 | W1034-Q1038 HydrophobicContact CD2-CG 3.78Å; W1034-Q1038 HydrophobicContact CE3-CG 3.88Å; W1034-Q1038 HydrophobicContact CG-CG 4.5Å; W1034-Q1038 HydrophobicContact CH2-CG 3.84Å; W1034-Q1038 HydrophobicContact CZ2-CG 3.72Å; W1034-Q1038 HydrophobicContact CZ3-CG 3.91Å; W1034-Q1038 WeakPolarHBondContact O-CB 3.18Å; W1034-Q1038 WeakPolarHBondContact O-CG 3.47Å; W1034-Q1038 PolarHBondContact O-N 3.37Å; L1035-Q1038 PolarHBondContact O-N 3.38Å; R1036-Q1038 VanDerWaalsContact C-N 3.32Å; R1036-Q1038 PolarHBondContact O-N 3.39Å; Q1038-K1042 VanDerWaalsContact O-CD 3.3Å; Q1038-K1042 WeakPolarHBondContact O-CD 3.44Å; Q1038-K1042 WeakPolarHBondContact O-CG 3.37Å; Q1038-K1042 PolarHBondContact O-NZ 2.83Å |
| 1039 | T | 64.4 | Low | 62.4 | Low | 84 Ų | 84 | 123.3 Ų | 123.3 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -82.4 | -38.3 | 166.7 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | L1035 R1036 E1037 K1042 T1043 | L1035-T1039 PolarHBondContact O-N 3.37Å; L1035-T1039 PolarHBondContact O-OG1 2.95Å; R1036-T1039 WeakPolarHBondContact CA-OG1 3.47Å; R1036-T1039 CarbonylContact O-C 3.57Å; R1036-T1039 WeakPolarHBondContact O-CA 3.46Å; R1036-T1039 PolarHBondContact O-N 2.69Å; R1036-T1039 PolarHBondContact O-OG1 3.2Å; E1037-T1039 PolarHBondContact O-N 3.36Å; T1039-K1042 CarbonylContact O-C 3.55Å; T1039-K1042 PolarHBondContact O-N 2.87Å; T1039-K1042 VanDerWaalsContact O-N 3.16Å; T1039-T1043 PolarHBondContact O-N 3.48Å; T1039-T1043 PolarHBondContact O-OG1 2.93Å |
| 1040 | E | 64.4 | Low | 60.5 | Low | 82 Ų | 82 | 125.9 Ų | 125.9 | 38% | 0.383 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -72.7 | -36.3 | 179.9 | -73.7 | -172 | -148.8 | 0 | 0 | 112.9 | R1036 E1037 K1042 T1043 R1044 | R1036-E1040 PolarHBondContact O-N 3.21Å; E1037-E1040 CarbonylContact O-C 3.59Å; E1037-E1040 PolarHBondContact O-N 3.44Å; E1037-E1040 VanDerWaalsContact O-N 3.14Å; E1040-K1042 VanDerWaalsContact C-N 3.27Å; E1040-K1042 PolarHBondContact O-N 3.47Å; E1040-T1043 WeakPolarHBondContact CA-OG1 3.37Å; E1040-T1043 PolarHBondContact O-N 3.39Å; E1040-T1043 PolarHBondContact O-OG1 2.8Å; E1040-T1043 VanDerWaalsContact O-OG1 3.05Å; E1040-R1044 VanDerWaalsContact O-CB 3.26Å; E1040-R1044 WeakPolarHBondContact O-CB 3.49Å; E1040-R1044 WeakPolarHBondContact O-CG 3.28Å; E1040-R1044 PolarHBondContact O-N 2.81Å; E1040-R1044 IonicContact OE2-NH2 2.73Å |
| 1041 | Q | 62.9 | Low | 58.3 | Low | 123 Ų | 123 | 123.8 Ų | 123.8 | 58% | 0.575 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -57.2 | -42.6 | 165.7 | -72.4 | -94 | -1 | 0 | 0 | 110.2 | E1037 K1045 | E1037-Q1041 WeakPolarHBondContact O-CB 3.43Å; E1037-Q1041 WeakPolarHBondContact O-CG 3.43Å; E1037-Q1041 PolarHBondContact O-N 3.19Å; Q1041-K1045 WeakPolarHBondContact O-CB 3.25Å; Q1041-K1045 PolarHBondContact O-N 3.3Å |
| 1042 | K | 59.5 | Low | 56.4 | Low | 134 Ų | 134 | 125.9 Ų | 125.9 | 58% | 0.583 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -74.4 | -22.8 | 179.2 | -70.6 | -179.9 | -168.6 | 84.5 | 0 | 113.7 | Q1038 T1039 E1040 | Q1038-K1042 VanDerWaalsContact O-CD 3.3Å; Q1038-K1042 WeakPolarHBondContact O-CD 3.44Å; Q1038-K1042 WeakPolarHBondContact O-CG 3.37Å; Q1038-K1042 PolarHBondContact O-NZ 2.83Å; T1039-K1042 CarbonylContact O-C 3.55Å; T1039-K1042 PolarHBondContact O-N 2.87Å; T1039-K1042 VanDerWaalsContact O-N 3.16Å; E1040-K1042 VanDerWaalsContact C-N 3.27Å; E1040-K1042 PolarHBondContact O-N 3.47Å |
| 1043 | T | 49.6 | Very low | 55.2 | Low | 93 Ų | 93 | 127.8 Ų | 127.8 | 57% | 0.571 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -85.2 | -41.2 | 169.6 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | T1039 E1040 K1045 G1046 | T1039-T1043 PolarHBondContact O-N 3.48Å; T1039-T1043 PolarHBondContact O-OG1 2.93Å; E1040-T1043 WeakPolarHBondContact CA-OG1 3.37Å; E1040-T1043 PolarHBondContact O-N 3.39Å; E1040-T1043 PolarHBondContact O-OG1 2.8Å; E1040-T1043 VanDerWaalsContact O-OG1 3.05Å; T1043-K1045 VanDerWaalsContact C-N 3.3Å; T1043-K1045 PolarHBondContact O-N 3.36Å; T1043-G1046 WeakPolarHBondContact O-CA 3.41Å; T1043-G1046 PolarHBondContact O-N 3.46Å |
| 1044 | R | 53.4 | Low | 53.9 | Low | 191 Ų | 191 | 131.2 Ų | 131.2 | 72% | 0.721 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -64.6 | -33.1 | 176.2 | -71.4 | 178.4 | -165.8 | -150.2 | 9.8 | 112.2 | E1040 G1046 | E1040-R1044 VanDerWaalsContact O-CB 3.26Å; E1040-R1044 WeakPolarHBondContact O-CB 3.49Å; E1040-R1044 WeakPolarHBondContact O-CG 3.28Å; E1040-R1044 PolarHBondContact O-N 2.81Å; E1040-R1044 IonicContact OE2-NH2 2.73Å; R1044-G1046 PolarHBondContact O-N 2.9Å |
| 1045 | K | 48.7 | Very low | 52.1 | Low | 196 Ų | 196 | 132.5 Ų | 132.5 | 85% | 0.852 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 23.1 | 172.1 | -150.6 | 169.1 | -170.4 | 172.4 | 0 | 112.7 | Q1041 T1043 | Q1041-K1045 WeakPolarHBondContact O-CB 3.25Å; Q1041-K1045 PolarHBondContact O-N 3.3Å; T1043-K1045 VanDerWaalsContact C-N 3.3Å; T1043-K1045 PolarHBondContact O-N 3.36Å |
| 1046 | G | 45.9 | Very low | 50.2 | Low | 57 Ų | 57 | 135.5 Ų | 135.5 | 59% | 0.588 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.5 | 6.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115.8 | T1043 R1044 | T1043-G1046 WeakPolarHBondContact O-CA 3.41Å; T1043-G1046 PolarHBondContact O-N 3.46Å; R1044-G1046 PolarHBondContact O-N 2.9Å |
| 1047 | E | 34.4 | Very low | 48.3 | Very low | 172 Ų | 172 | 131.3 Ų | 131.3 | 80% | 0.804 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -99.6 | 93.5 | 175.4 | -74 | -171.6 | 114.3 | 0 | 0 | 112.2 | ||
| 1048 | E | 35.9 | Very low | 46.7 | Very low | 185 Ų | 185 | 134.1 Ų | 134.1 | 86% | 0.864 | 70% | 0.703 | S | S | * | * | trans | 58.2 | 153.7 | 156.2 | -65.8 | -160.1 | 152.6 | 0 | 0 | 121.2 | ||||
| 1049 | P | 53.3 | Low | 45.8 | Very low | 97 Ų | 97 | 134.6 Ų | 134.6 | 63% | 0.63 | 71% | 0.705 | S | S | * | * | cis | -136.7 | -179 | -38.4 | 39.3 | -23.6 | 0 | 0 | 0 | 113.5 | ||||
| 1050 | D | 30.7 | Very low | 44.9 | Very low | 168 Ų | 168 | 138.7 Ų | 138.7 | 90% | 0.898 | 72% | 0.723 | S | S | * | * | trans | 63.1 | 144.4 | 163.8 | -63.4 | -23 | 0 | 0 | 0 | 119.4 | ||||
| 1051 | G | 35.8 | Very low | 44.9 | Very low | 68 Ų | 68 | 138.3 Ų | 138.3 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | trans | 130.7 | 102.2 | 166 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1052 | E | 35.3 | Very low | 44.8 | Very low | 192 Ų | 192 | 140.2 Ų | 140.2 | 90% | 0.897 | 74% | 0.739 | S | S | * | * | trans | 14.8 | 141.4 | 151.8 | 58.3 | -153 | 174.3 | 0 | 0 | 123.7 | ||||
| 1053 | D | 44.3 | Very low | 45.2 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -72.1 | 132.7 | 172.7 | -46.2 | -106.5 | 0 | 0 | 0 | 112.7 | ||||
| 1054 | E | 44 | Very low | 45.8 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 85% | 0.846 | 74% | 0.74 | S | S | * | * | trans | -165.3 | 107.1 | 137.9 | -112.2 | 165.8 | -151.9 | 0 | 0 | 115.8 | ||||
| 1055 | Q | 42.8 | Very low | 46.4 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | 48.5 | 92.2 | 130.2 | -164.4 | 164.1 | -0.4 | 0 | 0 | 122.7 | ||||
| 1056 | I | 32.7 | Very low | 47.1 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 86% | 0.862 | 71% | 0.711 | S | S | * | * | trans | -138.6 | 138.8 | 138.9 | -73.1 | 102.4 | 0 | 0 | 0 | 105.6 | ||||
| 1057 | G | 34.9 | Very low | 48.1 | Very low | 57 Ų | 57 | 131.9 Ų | 131.9 | 59% | 0.588 | 70% | 0.699 | S | S | * | * | cis | 116.9 | 106.1 | 14.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1058 | D | 42.4 | Very low | 49.4 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 90% | 0.898 | 69% | 0.685 | S | S | * | * | cis | -142.3 | 166.1 | 0.4 | -99.9 | -61.7 | 0 | 0 | 0 | 112.6 | ||||
| 1059 | E | 45.2 | Very low | 50.7 | Low | 72 Ų | 72 | 127.8 Ų | 127.8 | 34% | 0.336 | 68% | 0.676 | S | S | . | * | trans | -116.9 | 76 | -163.9 | -65.2 | -165 | 129 | 0 | 0 | 116.7 | K1065 K1068 | E1059-K1065 VanDerWaalsContact CB-CE 3.48Å; E1059-K1065 WeakPolarHBondContact O-CE 3.35Å; E1059-K1065 PolarHBondContact O-NZ 2.91Å; E1059-K1065 WeakPolarHBondContact OE2-CE 3.32Å; E1059-K1065 IonicContact OE2-NZ 2.86Å; E1059-K1068 IonicContact OE1-NZ 3.18Å; E1059-K1068 PolarHBondContact OE1-NZ 3.24Å | ||
| 1060 | D | 47.1 | Very low | 50.8 | Low | 169 Ų | 169 | 129.3 Ų | 129.3 | 90% | 0.904 | 68% | 0.678 | S | S | * | * | trans | -90.4 | 7.6 | 175.4 | -104.6 | 11.3 | 0 | 0 | 0 | 116.2 | Q1062 | D1060-Q1062 PolarHBondContact O-N 2.9Š| ||
| 1061 | S | 64.1 | Low | 52 | Low | 74 Ų | 74 | 125.9 Ų | 125.9 | 52% | 0.517 | 66% | 0.663 | S | S | . | * | trans | -91.3 | 99.8 | 167.5 | -88.8 | 0 | 0 | 0 | 0 | 112.9 | F1063 M1064 | S1061-F1063 PolarHBondContact O-N 3.14Å; S1061-M1064 PolarHBondContact O-N 3.42Å | ||
| 1062 | Q | 61.3 | Low | 52.7 | Low | 164 Ų | 164 | 126.1 Ų | 126.1 | 77% | 0.766 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -53.2 | -27.1 | 172.7 | -59 | -175 | 14.8 | 0 | 0 | 113.1 | D1060 K1065 L1066 | D1060-Q1062 PolarHBondContact O-N 2.9Å; Q1062-K1065 PolarHBondContact O-N 3.32Å; Q1062-L1066 PolarHBondContact O-N 2.95Å; Q1062-L1066 VanDerWaalsContact O-N 3.15Å |
| 1063 | F | 66.6 | Low | 53.5 | Low | 161 Ų | 161 | 127.5 Ų | 127.5 | 71% | 0.706 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -58.9 | -46.2 | 173.6 | -178.5 | -103.9 | 0 | 0 | 0 | 113.3 | S1061 K1065 L1066 A1067 | S1061-F1063 PolarHBondContact O-N 3.14Å; F1063-K1065 VanDerWaalsContact C-N 3.35Å; F1063-K1065 PolarHBondContact O-N 3.45Å; F1063-L1066 WeakPolarHBondContact O-CB 3.36Å; F1063-L1066 PolarHBondContact O-N 2.73Å; F1063-L1066 VanDerWaalsContact O-N 3.1Å; F1063-A1067 PolarHBondContact O-N 3.1Å |
| 1064 | M | 63.3 | Low | 53.7 | Low | 97 Ų | 97 | 125.4 Ų | 125.4 | 48% | 0.478 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67 | -38.3 | 179.6 | -69.2 | -64.9 | -85.2 | 0 | 0 | 111.4 | S1061 L1066 A1067 K1068 | S1061-M1064 PolarHBondContact O-N 3.42Å; M1064-L1066 PolarHBondContact O-N 2.78Å; M1064-A1067 PolarHBondContact O-N 2.83Å; M1064-K1068 WeakPolarHBondContact O-CG 3.35Å; M1064-K1068 PolarHBondContact O-N 2.83Å |
| 1065 | K | 65.2 | Low | 53.5 | Low | 85 Ų | 85 | 124 Ų | 124 | 37% | 0.37 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -64.3 | -22.4 | 173.4 | -72.1 | 168.6 | 173.6 | 165.4 | 0 | 113 | E1059 Q1062 F1063 K1069 | E1059-K1065 VanDerWaalsContact CB-CE 3.48Å; E1059-K1065 WeakPolarHBondContact O-CE 3.35Å; E1059-K1065 PolarHBondContact O-NZ 2.91Å; E1059-K1065 WeakPolarHBondContact OE2-CE 3.32Å; E1059-K1065 IonicContact OE2-NZ 2.86Å; Q1062-K1065 PolarHBondContact O-N 3.32Å; F1063-K1065 VanDerWaalsContact C-N 3.35Å; F1063-K1065 PolarHBondContact O-N 3.45Å; K1065-K1069 VanDerWaalsContact O-CD 3.28Å; K1065-K1069 WeakPolarHBondContact O-CD 3.37Å; K1065-K1069 VanDerWaalsContact O-CG 3.28Å; K1065-K1069 WeakPolarHBondContact O-CG 3.47Å |
| 1066 | L | 63.4 | Low | 53.5 | Low | 112 Ų | 112 | 124.3 Ų | 124.3 | 59% | 0.586 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -85.1 | -43.3 | 170.4 | -81.6 | 163.3 | 0 | 0 | 0 | 112.5 | Q1062 F1063 M1064 K1068 K1069 L1070 | Q1062-L1066 PolarHBondContact O-N 2.95Å; Q1062-L1066 VanDerWaalsContact O-N 3.15Å; F1063-L1066 WeakPolarHBondContact O-CB 3.36Å; F1063-L1066 PolarHBondContact O-N 2.73Å; F1063-L1066 VanDerWaalsContact O-N 3.1Å; M1064-L1066 PolarHBondContact O-N 2.78Å; L1066-K1068 PolarHBondContact O-N 2.76Å; L1066-K1069 PolarHBondContact O-N 2.85Å; L1066-K1069 VanDerWaalsContact O-N 3.14Å; L1066-L1070 PolarHBondContact O-N 2.9Å; L1066-L1070 VanDerWaalsContact O-N 3.13Å |
| 1067 | A | 66.5 | Low | 53.6 | Low | 41 Ų | 41 | 127.4 Ų | 127.4 | 34% | 0.339 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -57.9 | -49.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1063 M1064 K1069 L1070 T1071 | F1063-A1067 PolarHBondContact O-N 3.1Å; M1064-A1067 PolarHBondContact O-N 2.83Å; A1067-K1069 PolarHBondContact O-N 2.72Å; A1067-L1070 PolarHBondContact O-N 2.79Å; A1067-L1070 VanDerWaalsContact O-N 3.08Å; A1067-T1071 PolarHBondContact O-N 2.92Å |
| 1068 | K | 61.9 | Low | 53.5 | Low | 118 Ų | 118 | 134.3 Ų | 134.3 | 51% | 0.513 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -58.8 | -31.5 | 175.8 | -68.3 | 176.9 | 178.1 | -178.6 | 0 | 112.8 | E1059 M1064 L1066 T1071 A1072 | E1059-K1068 IonicContact OE1-NZ 3.18Å; E1059-K1068 PolarHBondContact OE1-NZ 3.24Å; M1064-K1068 WeakPolarHBondContact O-CG 3.35Å; M1064-K1068 PolarHBondContact O-N 2.83Å; L1066-K1068 PolarHBondContact O-N 2.76Å; K1068-T1071 PolarHBondContact O-OG1 2.99Å; K1068-A1072 WeakPolarHBondContact O-CB 3.31Å; K1068-A1072 PolarHBondContact O-N 3.3Å |
| 1069 | K | 63.9 | Low | 52.9 | Low | 153 Ų | 153 | 134 Ų | 134 | 67% | 0.665 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -78.8 | -20.9 | 177.4 | -76.8 | 176.6 | -175.2 | 169.8 | 0 | 114.1 | K1065 L1066 A1067 | K1065-K1069 VanDerWaalsContact O-CD 3.28Å; K1065-K1069 WeakPolarHBondContact O-CD 3.37Å; K1065-K1069 VanDerWaalsContact O-CG 3.28Å; K1065-K1069 WeakPolarHBondContact O-CG 3.47Å; L1066-K1069 PolarHBondContact O-N 2.85Å; L1066-K1069 VanDerWaalsContact O-N 3.14Å; A1067-K1069 PolarHBondContact O-N 2.72Å |
| 1070 | L | 55.8 | Low | 53.4 | Low | 128 Ų | 128 | 135.8 Ų | 135.8 | 67% | 0.67 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -80.2 | -41.1 | 174.9 | -73 | 168.1 | 0 | 0 | 0 | 111.4 | L1066 A1067 R1073 | L1066-L1070 PolarHBondContact O-N 2.9Å; L1066-L1070 VanDerWaalsContact O-N 3.13Å; A1067-L1070 PolarHBondContact O-N 2.79Å; A1067-L1070 VanDerWaalsContact O-N 3.08Å; L1070-R1073 PolarHBondContact O-N 3.13Å |
| 1071 | T | 56.1 | Low | 52.9 | Low | 96 Ų | 96 | 133.6 Ų | 133.6 | 59% | 0.589 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70 | -40.8 | 177.1 | 56.1 | 0 | 0 | 0 | 0 | 112.7 | A1067 K1068 R1073 T1074 | A1067-T1071 PolarHBondContact O-N 2.92Å; K1068-T1071 PolarHBondContact O-OG1 2.99Å; T1071-R1073 PolarHBondContact O-N 2.85Å; T1071-R1073 VanDerWaalsContact O-N 3.12Å; T1071-T1074 PolarHBondContact O-N 2.93Å; T1071-T1074 PolarHBondContact O-OG1 3.15Å; T1071-T1074 VanDerWaalsContact O-OG1 3.06Å |
| 1072 | A | 50.8 | Low | 51.4 | Low | 74 Ų | 74 | 138.9 Ų | 138.9 | 61% | 0.612 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -21.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K1068 | K1068-A1072 WeakPolarHBondContact O-CB 3.31Å; K1068-A1072 PolarHBondContact O-N 3.3Å |
| 1073 | R | 51.3 | Low | 50.2 | Low | 221 Ų | 221 | 136.1 Ų | 136.1 | 83% | 0.834 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -8 | -172.6 | -160.3 | 171.4 | -180 | -173 | 0.2 | 114.5 | L1070 T1071 | L1070-R1073 PolarHBondContact O-N 3.13Å; T1071-R1073 PolarHBondContact O-N 2.85Å; T1071-R1073 VanDerWaalsContact O-N 3.12Å |
| 1074 | T | 48.6 | Very low | 48.6 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 69% | 0.693 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -89.9 | -17.6 | -179.5 | 53.9 | 0 | 0 | 0 | 0 | 114.1 | T1071 | T1071-T1074 PolarHBondContact O-N 2.93Å; T1071-T1074 PolarHBondContact O-OG1 3.15Å; T1071-T1074 VanDerWaalsContact O-OG1 3.06Å |
| 1075 | L | 39.8 | Very low | 47.5 | Very low | 153 Ų | 153 | 136 Ų | 136 | 80% | 0.801 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -92.2 | -6 | -172.5 | -68.4 | 175.8 | 0 | 0 | 0 | 115.8 | ||
| 1076 | Q | 42.9 | Very low | 46 | Very low | 187 Ų | 187 | 141.1 Ų | 141.1 | 87% | 0.874 | 71% | 0.705 | S | S | * | * | trans | -111.3 | 79.3 | 178.1 | -70 | -154.6 | 8.4 | 0 | 0 | 113.9 | ||||
| 1077 | R | 35.2 | Very low | 44.7 | Very low | 232 Ų | 232 | 141.3 Ų | 141.3 | 88% | 0.875 | 71% | 0.711 | S | S | * | * | trans | -158.5 | 94.8 | 155.4 | -169 | 171.1 | 172.2 | -174.3 | -5.3 | 114.1 | ||||
| 1078 | K | 33.1 | Very low | 43.1 | Very low | 202 Ų | 202 | 144.2 Ų | 144.2 | 88% | 0.878 | 74% | 0.735 | S | S | * | * | trans | -149.4 | 108.3 | 152.5 | -146.3 | 166.2 | -174.8 | 175.2 | 0 | 112.5 | ||||
| 1079 | E | 29.7 | Very low | 41.6 | Very low | 162 Ų | 162 | 143 Ų | 143 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | trans | -4.9 | 167.3 | 149.6 | -78.6 | 176.7 | 152.6 | 0 | 0 | 122.2 | ||||
| 1080 | P | 55.4 | Low | 40.3 | Very low | 110 Ų | 110 | 139.9 Ų | 139.9 | 71% | 0.714 | 75% | 0.75 | S | S | * | * | cis | -132.8 | -160.3 | -12.9 | 36 | -13.8 | 0 | 0 | 0 | 112.1 | ||||
| 1081 | P | 35 | Very low | 39.3 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | -141.6 | 179.9 | 76.3 | 37.4 | -18.3 | 0 | 0 | 0 | 115.7 | |||||
| 1082 | Q | 34.6 | Very low | 38.3 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | trans | -76.1 | 177.2 | 178.1 | -57.5 | 164 | -65.1 | 0 | 0 | 111.3 | ||||
| 1083 | S | 35.4 | Very low | 38.1 | Very low | 107 Ų | 107 | 144.5 Ų | 144.5 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | cis | -159.6 | 174.5 | 28.2 | 52.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 1084 | D | 33.6 | Very low | 37.3 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | cis | -150.9 | -169.8 | 17.8 | -148.7 | -2 | 0 | 0 | 0 | 107.2 | ||||
| 1085 | Q | 38.7 | Very low | 36.5 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 60% | 0.598 | 78% | 0.776 | S | S | * | * | cis | -161 | 178.7 | 9 | -144.9 | 165.1 | 82.8 | 0 | 0 | 105.8 | ||||
| 1086 | R | 34.6 | Very low | 36.7 | Very low | 193 Ų | 193 | 148.8 Ų | 148.8 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | cis | -157.9 | 142.6 | 9.8 | -165.5 | 165.7 | -177.8 | 124.7 | -6.3 | 109.8 | ||||
| 1087 | T | 35.4 | Very low | 36.4 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 72% | 0.718 | 78% | 0.776 | S | S | * | * | trans | 30.7 | 110.7 | 159.8 | 58.6 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1088 | A | 32.8 | Very low | 36.4 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 77% | 0.769 | S | S | * | * | 79.5 | 143 | 69.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1089 | A | 31.7 | Very low | 36.6 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | cis | -153.6 | 164.9 | 14.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1090 | A | 35.2 | Very low | 37 | Very low | 88 Ų | 88 | 137 Ų | 137 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | 73.5 | 123.7 | 143.7 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1091 | L | 35.7 | Very low | 36 | Very low | 155 Ų | 155 | 138.3 Ų | 138.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | 61.2 | 124.2 | 147.7 | -56.7 | 172.4 | 0 | 0 | 0 | 117.4 | ||||
| 1092 | N | 34.7 | Very low | 36.3 | Very low | 138 Ų | 138 | 138.5 Ų | 138.5 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | cis | -160.3 | 172.5 | 37.1 | -98.3 | -43.2 | 0 | 0 | 0 | 111.7 | ||||
| 1093 | P | 47.3 | Very low | 36.7 | Very low | 101 Ų | 101 | 136 Ų | 136 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | trans | -71.4 | 177.7 | 168.9 | 32.3 | -36.7 | 0 | 0 | 0 | 113.2 | ||||
| 1094 | F | 34.2 | Very low | 37.2 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | trans | 73.3 | 93.9 | -177.7 | -61.6 | -83.8 | 0 | 0 | 0 | 117.1 | ||||
| 1095 | Q | 31 | Very low | 38.1 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -159.8 | 94.8 | 137.4 | -113.7 | 153.3 | 99.6 | 0 | 0 | 111.5 | ||||
| 1096 | K | 44 | Very low | 39.2 | Very low | 197 Ų | 197 | 143.3 Ų | 143.3 | 86% | 0.857 | 78% | 0.781 | S | S | * | * | trans | -71.7 | 143.4 | 147.3 | -70.4 | 177.6 | 178.9 | 172.4 | 0 | 106.5 | ||||
| 1097 | P | 37.5 | Very low | 40.7 | Very low | 126 Ų | 126 | 137.1 Ų | 137.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | -117.8 | 134.1 | 119.8 | 32.4 | -32.7 | 0 | 0 | 0 | 111 | |||||
| 1098 | S | 34.9 | Very low | 42.4 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -70.1 | 137.3 | 175.6 | 51.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1099 | Q | 37.3 | Very low | 44.1 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -137.8 | 143.3 | 134.6 | -73.8 | -155.7 | 1.3 | 0 | 0 | 109.8 | ||||
| 1100 | P | 37.4 | Very low | 45.9 | Very low | 119 Ų | 119 | 139.4 Ų | 139.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | trans | -75.4 | 130.1 | -179.1 | 30 | -33.7 | 0 | 0 | 0 | 111.2 | Q1102 | P1100-Q1102 PolarHBondContact O-N 2.9Š| ||
| 1101 | V | 34 | Very low | 48.1 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | trans | -70.3 | 102.9 | 167.4 | 177.7 | 0 | 0 | 0 | 0 | 108 | V1103 | V1101-V1103 PolarHBondContact O-N 3.43Š| ||
| 1102 | Q | 41.4 | Very low | 50.3 | Low | 128 Ų | 128 | 135.9 Ų | 135.9 | 60% | 0.598 | 73% | 0.725 | S | S | * | * | trans | -61.2 | 120.3 | 166.6 | -71 | -172.7 | -14.4 | 0 | 0 | 108.7 | P1100 R1104 | P1100-Q1102 PolarHBondContact O-N 2.9Å; Q1102-R1104 HydrophobicContact CB-CG 4.04Å; Q1102-R1104 PolarHBondContact O-N 2.85Å | ||
| 1103 | V | 43.3 | Very low | 52 | Low | 132 Ų | 132 | 132.9 Ų | 132.9 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | trans | -71.2 | 76 | 169.1 | -175.9 | 0 | 0 | 0 | 0 | 108.7 | V1101 R1105 | V1101-V1103 PolarHBondContact O-N 3.43Å; V1103-R1105 PolarHBondContact O-N 2.79Å | ||
| 1104 | R | 47.3 | Very low | 53.6 | Low | 198 Ų | 198 | 131.3 Ų | 131.3 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | trans | -72.6 | 93.2 | 174.8 | -73 | -164.1 | 170.9 | -137.4 | -5.4 | 109.1 | Q1102 G1106 | Q1102-R1104 HydrophobicContact CB-CG 4.04Å; Q1102-R1104 PolarHBondContact O-N 2.85Å; R1104-G1106 PolarHBondContact O-N 3.49Å; R1104-G1106 VanDerWaalsContact O-N 3.11Å | ||
| 1105 | R | 51.8 | Low | 55.7 | Low | 242 Ų | 242 | 124.9 Ų | 124.9 | 91% | 0.913 | 69% | 0.691 | S | S | * | * | trans | -51.9 | 114.4 | 173.2 | -72.8 | -177.8 | 170.6 | -175 | -3.3 | 110.8 | V1103 S1107 | V1103-R1105 PolarHBondContact O-N 2.79Å; R1105-S1107 PolarHBondContact O-N 3.44Å | ||
| 1106 | G | 60.6 | Low | 58 | Low | 73 Ų | 73 | 118.6 Ų | 118.6 | 75% | 0.753 | 66% | 0.663 | S | S | * | * | trans | 63.2 | 30.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | R1104 L1108 | R1104-G1106 PolarHBondContact O-N 3.49Å; R1104-G1106 VanDerWaalsContact O-N 3.11Å; G1106-L1108 PolarHBondContact O-N 3.4Å | ||
| 1107 | S | 66.6 | Low | 59.5 | Low | 64 Ų | 64 | 116.4 Ų | 116.4 | 45% | 0.448 | 66% | 0.656 | S | S | . | * | trans | -72.1 | 122.6 | 166.4 | -171.1 | 0 | 0 | 0 | 0 | 110 | R1105 L1109 S1110 | R1105-S1107 PolarHBondContact O-N 3.44Å; S1107-L1109 PolarHBondContact O-N 3.34Å; S1107-L1109 VanDerWaalsContact O-N 3.17Å; S1107-S1110 PolarHBondContact O-N 3.02Å; S1107-S1110 PolarHBondContact O-OG 3.17Å | ||
| 1108 | L | 71.9 | Confident | 61.5 | Low | 126 Ų | 126 | 117.9 Ų | 117.9 | 66% | 0.66 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -55 | -35.7 | 176.9 | -71.5 | 167.2 | 0 | 0 | 0 | 111.9 | G1106 S1110 Q1111 L1116 | G1106-L1108 PolarHBondContact O-N 3.4Å; L1108-S1110 PolarHBondContact O-N 3.41Å; L1108-Q1111 WeakPolarHBondContact O-CB 3.43Å; L1108-Q1111 WeakPolarHBondContact O-CG 3.48Å; L1108-Q1111 PolarHBondContact O-N 3.17Å; L1108-Q1111 VanDerWaalsContact O-N 3.14Å; L1108-L1116 WeakPolarHBondContact O-CD2 3.43Å |
| 1109 | L | 68.7 | Low | 63.3 | Low | 146 Ų | 146 | 116.7 Ų | 116.7 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -70.9 | -9.9 | -179.4 | -71.9 | 161.5 | 0 | 0 | 0 | 114.7 | S1107 | S1107-L1109 PolarHBondContact O-N 3.34Å; S1107-L1109 VanDerWaalsContact O-N 3.17Å |
| 1110 | S | 69.3 | Low | 64.7 | Low | 86 Ų | 86 | 110.4 Ų | 110.4 | 60% | 0.601 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -91.5 | 1.7 | 171 | 67.3 | 0 | 0 | 0 | 0 | 113.7 | S1107 L1108 | S1107-S1110 PolarHBondContact O-N 3.02Å; S1107-S1110 PolarHBondContact O-OG 3.17Å; L1108-S1110 PolarHBondContact O-N 3.41Å |
| 1111 | Q | 81.7 | Confident | 66.2 | Low | 88 Ų | 88 | 106.8 Ų | 106.8 | 41% | 0.411 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -71 | 146 | 171.5 | -66 | -63.3 | -22.5 | 0 | 0 | 110.6 | L1108 V1115 L1116 | L1108-Q1111 WeakPolarHBondContact O-CB 3.43Å; L1108-Q1111 WeakPolarHBondContact O-CG 3.48Å; L1108-Q1111 PolarHBondContact O-N 3.17Å; L1108-Q1111 VanDerWaalsContact O-N 3.14Å; Q1111-V1115 HydrophobicContact CB-CB 4.32Å; Q1111-V1115 HydrophobicContact CB-CG1 4.11Å; Q1111-V1115 HydrophobicContact CG-CG1 4.44Å; Q1111-L1116 HydrophobicContact CB-CG 4.21Å; Q1111-L1116 WeakPolarHBondContact O-CD1 3.31Å |
| 1112 | P | 82.4 | Confident | 67.6 | Low | 81 Ų | 81 | 107.2 Ų | 107.2 | 53% | 0.526 | 60% | 0.595 | S | S | . | * | trans | -61.8 | 147.4 | -179.7 | 25.8 | -33.8 | 0 | 0 | 0 | 111 | A1114 V1115 L1116 | P1112-A1114 PolarHBondContact O-N 3.41Å; P1112-V1115 HydrophobicContact CG-CB 4.26Å; P1112-V1115 HydrophobicContact CG-CG2 3.88Å; P1112-V1115 WeakPolarHBondContact O-CA 3.43Å; P1112-V1115 WeakPolarHBondContact O-CB 3.47Å; P1112-V1115 PolarHBondContact O-N 3.16Å; P1112-L1116 PolarHBondContact O-N 3.35Å | ||
| 1113 | A | 68.9 | Low | 68.5 | Low | 76 Ų | 76 | 104.6 Ų | 104.6 | 63% | 0.628 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -52.9 | -34.4 | -170 | 0 | 0 | 0 | 0 | 0 | 114.3 | V1115 L1116 Q1117 | A1113-V1115 VanDerWaalsContact C-N 3.32Å; A1113-V1115 PolarHBondContact O-N 3.42Å; A1113-L1116 PolarHBondContact O-N 3.33Å; A1113-Q1117 VanDerWaalsContact O-CB 3.25Å; A1113-Q1117 WeakPolarHBondContact O-CB 3.42Å; A1113-Q1117 PolarHBondContact O-N 3.44Å |
| 1114 | A | 81.8 | Confident | 69 | Low | 67 Ų | 67 | 106.6 Ų | 106.6 | 55% | 0.554 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.7 | -26 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | P1112 K1118 | P1112-A1114 PolarHBondContact O-N 3.41Å; A1114-K1118 VanDerWaalsContact O-CG 3.32Å; A1114-K1118 WeakPolarHBondContact O-CG 3.4Å; A1114-K1118 PolarHBondContact O-N 3.45Å |
| 1115 | V | 77.1 | Confident | 69.1 | Low | 58 Ų | 58 | 99.4 Ų | 99.4 | 35% | 0.352 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -79.9 | -44.7 | 172.3 | 173.1 | 0 | 0 | 0 | 0 | 109.8 | Q1111 P1112 A1113 Q1117 K1118 L1119 | Q1111-V1115 HydrophobicContact CB-CB 4.32Å; Q1111-V1115 HydrophobicContact CB-CG1 4.11Å; Q1111-V1115 HydrophobicContact CG-CG1 4.44Å; P1112-V1115 HydrophobicContact CG-CB 4.26Å; P1112-V1115 HydrophobicContact CG-CG2 3.88Å; P1112-V1115 WeakPolarHBondContact O-CA 3.43Å; P1112-V1115 WeakPolarHBondContact O-CB 3.47Å; P1112-V1115 PolarHBondContact O-N 3.16Å; A1113-V1115 VanDerWaalsContact C-N 3.32Å; A1113-V1115 PolarHBondContact O-N 3.42Å; V1115-Q1117 VanDerWaalsContact C-N 3.32Å; V1115-Q1117 PolarHBondContact O-N 3.48Å; V1115-K1118 PolarHBondContact O-N 3.42Å; V1115-L1119 HydrophobicContact CG1-CD1 4.01Å; V1115-L1119 HydrophobicContact CG1-CG 4.47Å; V1115-L1119 WeakPolarHBondContact O-CG 3.42Å; V1115-L1119 PolarHBondContact O-N 3.43Å |
| 1116 | L | 79.4 | Confident | 69.1 | Low | 56 Ų | 56 | 93.3 Ų | 93.3 | 29% | 0.293 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58.6 | -41.6 | 173.6 | -78.9 | 172.1 | 0 | 0 | 0 | 112.5 | L1108 Q1111 P1112 A1113 L1119 A1120 | L1108-L1116 WeakPolarHBondContact O-CD2 3.43Å; Q1111-L1116 HydrophobicContact CB-CG 4.21Å; Q1111-L1116 WeakPolarHBondContact O-CD1 3.31Å; P1112-L1116 PolarHBondContact O-N 3.35Å; A1113-L1116 PolarHBondContact O-N 3.33Å; L1116-L1119 PolarHBondContact O-N 3.26Å; L1116-A1120 WeakPolarHBondContact O-CB 3.22Å; L1116-A1120 PolarHBondContact O-N 3.33Å |
| 1117 | Q | 76.8 | Confident | 68.9 | Low | 151 Ų | 151 | 95.9 Ų | 95.9 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.2 | -32.7 | 178 | -169.1 | 172.2 | 9 | 0 | 0 | 112.4 | A1113 V1115 G1121 | A1113-Q1117 VanDerWaalsContact O-CB 3.25Å; A1113-Q1117 WeakPolarHBondContact O-CB 3.42Å; A1113-Q1117 PolarHBondContact O-N 3.44Å; V1115-Q1117 VanDerWaalsContact C-N 3.32Å; V1115-Q1117 PolarHBondContact O-N 3.48Å; Q1117-G1121 PolarHBondContact O-N 3.08Å |
| 1118 | K | 78.1 | Confident | 68.1 | Low | 157 Ų | 157 | 100.1 Ų | 100.1 | 68% | 0.683 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.7 | -43.2 | 170.2 | -78.9 | 179.5 | 176.1 | -170.4 | 0 | 112.2 | A1114 V1115 A1120 G1121 L1122 | A1114-K1118 VanDerWaalsContact O-CG 3.32Å; A1114-K1118 WeakPolarHBondContact O-CG 3.4Å; A1114-K1118 PolarHBondContact O-N 3.45Å; V1115-K1118 PolarHBondContact O-N 3.42Å; K1118-A1120 VanDerWaalsContact C-N 3.29Å; K1118-A1120 PolarHBondContact O-N 3.04Å; K1118-G1121 PolarHBondContact O-N 3.12Å; K1118-L1122 WeakPolarHBondContact O-CG 3.44Å; K1118-L1122 PolarHBondContact O-N 2.77Å |
| 1119 | L | 74.3 | Confident | 66.8 | Low | 83 Ų | 83 | 96.9 Ų | 96.9 | 44% | 0.435 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.8 | -34.8 | 175.2 | -69.3 | 169.2 | 0 | 0 | 0 | 111.9 | V1115 L1116 L1122 S1123 | V1115-L1119 HydrophobicContact CG1-CD1 4.01Å; V1115-L1119 HydrophobicContact CG1-CG 4.47Å; V1115-L1119 WeakPolarHBondContact O-CG 3.42Å; V1115-L1119 PolarHBondContact O-N 3.43Å; L1116-L1119 PolarHBondContact O-N 3.26Å; L1119-L1122 PolarHBondContact O-N 3.22Å; L1119-S1123 PolarHBondContact O-N 3.15Å |
| 1120 | A | 65.9 | Low | 65.4 | Low | 52 Ų | 52 | 96.3 Ų | 96.3 | 43% | 0.43 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.6 | -44.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1116 K1118 L1122 S1123 | L1116-A1120 WeakPolarHBondContact O-CB 3.22Å; L1116-A1120 PolarHBondContact O-N 3.33Å; K1118-A1120 VanDerWaalsContact C-N 3.29Å; K1118-A1120 PolarHBondContact O-N 3.04Å; A1120-L1122 VanDerWaalsContact C-N 3.28Å; A1120-L1122 PolarHBondContact O-N 3.38Å; A1120-S1123 WeakPolarHBondContact O-CA 3.45Å; A1120-S1123 WeakPolarHBondContact O-CB 3.37Å; A1120-S1123 PolarHBondContact O-N 3.28Å; A1120-S1123 PolarHBondContact O-OG 3.16Å |
| 1121 | G | 68.1 | Low | 64.4 | Low | 42 Ų | 42 | 101.5 Ų | 101.5 | 43% | 0.433 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62 | -32.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1117 K1118 S1123 E1124 | Q1117-G1121 PolarHBondContact O-N 3.08Å; K1118-G1121 PolarHBondContact O-N 3.12Å; G1121-S1123 PolarHBondContact O-N 3.28Å; G1121-E1124 PolarHBondContact O-N 3.11Å |
| 1122 | L | 64.6 | Low | 62.2 | Low | 146 Ų | 146 | 103 Ų | 103 | 76% | 0.764 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | 1 | 171.2 | -67.1 | 169 | 0 | 0 | 0 | 113.7 | K1118 L1119 A1120 | K1118-L1122 WeakPolarHBondContact O-CG 3.44Å; K1118-L1122 PolarHBondContact O-N 2.77Å; L1119-L1122 PolarHBondContact O-N 3.22Å; A1120-L1122 VanDerWaalsContact C-N 3.28Å; A1120-L1122 PolarHBondContact O-N 3.38Å |
| 1123 | S | 59.2 | Low | 60.5 | Low | 72 Ų | 72 | 104.8 Ų | 104.8 | 50% | 0.503 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.7 | -2 | 176.6 | 79.2 | 0 | 0 | 0 | 0 | 114.4 | L1119 A1120 G1121 G1125 | L1119-S1123 PolarHBondContact O-N 3.15Å; A1120-S1123 WeakPolarHBondContact O-CA 3.45Å; A1120-S1123 WeakPolarHBondContact O-CB 3.37Å; A1120-S1123 PolarHBondContact O-N 3.28Å; A1120-S1123 PolarHBondContact O-OG 3.16Å; G1121-S1123 PolarHBondContact O-N 3.28Å; S1123-G1125 PolarHBondContact O-N 3.49Å; S1123-G1125 VanDerWaalsContact O-N 3.11Å |
| 1124 | E | 55.4 | Low | 59.7 | Low | 174 Ų | 174 | 112.6 Ų | 112.6 | 81% | 0.813 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -68.4 | 102.6 | 161.5 | -65.4 | -167.7 | 135.6 | 0 | 0 | 107.6 | G1121 | G1121-E1124 PolarHBondContact O-N 3.11Š|
| 1125 | G | 48.2 | Very low | 58.3 | Low | 47 Ų | 47 | 112.3 Ų | 112.3 | 49% | 0.485 | 64% | 0.639 | S | S | . | * | trans | -92.3 | 168.6 | -155 | 0 | 0 | 0 | 0 | 0 | 116 | S1123 | S1123-G1125 PolarHBondContact O-N 3.49Å; S1123-G1125 VanDerWaalsContact O-N 3.11Å | ||
| 1126 | N | 52.8 | Low | 56.5 | Low | 115 Ų | 115 | 119.2 Ų | 119.2 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | trans | -45.4 | 123.2 | 167.5 | 173.9 | 0.1 | 0 | 0 | 0 | 111.1 | L1128 A1129 | N1126-L1128 PolarHBondContact O-N 3.26Å; N1126-L1128 VanDerWaalsContact O-N 3.07Å; N1126-L1128 PolarHBondContact OD1-N 3.33Å; N1126-A1129 PolarHBondContact O-N 3.19Å | ||
| 1127 | P | 56.3 | Low | 54.7 | Low | 126 Ų | 126 | 123 Ų | 123 | 82% | 0.818 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -3.8 | -175.1 | 27.8 | -35.9 | 0 | 0 | 0 | 115.2 | ||
| 1128 | L | 48.4 | Very low | 52.7 | Low | 154 Ų | 154 | 125.3 Ų | 125.3 | 81% | 0.806 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.7 | 9 | -178.5 | -61.7 | 177.9 | 0 | 0 | 0 | 114.8 | N1126 | N1126-L1128 PolarHBondContact O-N 3.26Å; N1126-L1128 VanDerWaalsContact O-N 3.07Å; N1126-L1128 PolarHBondContact OD1-N 3.33Å |
| 1129 | A | 45.4 | Very low | 50.8 | Low | 58 Ų | 58 | 124.9 Ų | 124.9 | 48% | 0.479 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -95.4 | 123.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N1126 R1131 | N1126-A1129 PolarHBondContact O-N 3.19Å; A1129-R1131 PolarHBondContact O-N 2.89Å |
| 1130 | P | 40.3 | Very low | 49.1 | Very low | 133 Ų | 133 | 127 Ų | 127 | 86% | 0.864 | 71% | 0.709 | S | S | * | * | trans | -69.8 | 110.1 | -179.9 | -19.8 | 32.8 | 0 | 0 | 0 | 113.5 | S1132 | P1130-S1132 PolarHBondContact O-N 3.45Š| ||
| 1131 | R | 46.7 | Very low | 47.7 | Very low | 195 Ų | 195 | 132.1 Ų | 132.1 | 74% | 0.736 | 73% | 0.729 | S | S | * | * | trans | -91.8 | 88.1 | 179 | -60.8 | -177.7 | 81.6 | 138.7 | -0 | 111.3 | A1129 S1133 | A1129-R1131 PolarHBondContact O-N 2.89Å; R1131-S1133 PolarHBondContact O-N 3.49Å | ||
| 1132 | S | 35.9 | Very low | 46.6 | Very low | 119 Ų | 119 | 135.8 Ų | 135.8 | 83% | 0.832 | 75% | 0.748 | S | S | * | * | trans | -68 | 115.6 | 173.8 | -174.1 | 0 | 0 | 0 | 0 | 111.3 | P1130 | P1130-S1132 PolarHBondContact O-N 3.45Š| ||
| 1133 | S | 46.3 | Very low | 45.6 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 75% | 0.746 | S | S | * | * | trans | -120.7 | 79.9 | -178.8 | 61.5 | 0 | 0 | 0 | 0 | 111.6 | R1131 | R1131-S1133 PolarHBondContact O-N 3.49Š| ||
| 1134 | R | 52.5 | Low | 44.1 | Very low | 240 Ų | 240 | 135.3 Ų | 135.3 | 91% | 0.906 | 75% | 0.746 | S | S | * | * | trans | -119.2 | 93 | 177.4 | -172.9 | 173.8 | 175 | 169.8 | -3.7 | 112 | ||||
| 1135 | G | 52.9 | Low | 43.3 | Very low | 61 Ų | 61 | 133.3 Ų | 133.3 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 123.4 | 24.9 | 138.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||
| 1136 | F | 39.4 | Very low | 42.5 | Very low | 204 Ų | 204 | 135.2 Ų | 135.2 | 90% | 0.895 | 75% | 0.746 | S | S | * | * | trans | -136.4 | 135 | 158.9 | -74.3 | -68.6 | 0 | 0 | 0 | 112 | ||||
| 1137 | L | 41.1 | Very low | 42 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | trans | -149.4 | 80.2 | -171.5 | -151 | 175 | 0 | 0 | 0 | 111.1 | Q1139 | L1137-Q1139 HydrophobicContact CD2-CB 3.83Å; L1137-Q1139 PolarHBondContact O-N 2.67Å | ||
| 1138 | F | 35.5 | Very low | 41 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | trans | -87.6 | 92.1 | 168.7 | -79.5 | -75.2 | 0 | 0 | 0 | 110.2 | T1140 | F1138-T1140 PolarHBondContact O-N 2.8Š| ||
| 1139 | Q | 37.8 | Very low | 40.3 | Very low | 148 Ų | 148 | 134 Ų | 134 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | trans | -82.2 | 95 | 178.2 | -169.8 | 82.4 | 65.6 | 0 | 0 | 110.8 | L1137 | L1137-Q1139 HydrophobicContact CD2-CB 3.83Å; L1137-Q1139 PolarHBondContact O-N 2.67Å | ||
| 1140 | T | 39.6 | Very low | 39.8 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 143.4 | 163 | 47.9 | 0 | 0 | 0 | 0 | 110.2 | F1138 | F1138-T1140 PolarHBondContact O-N 2.8Š|
| 1141 | L | 36 | Very low | 39.5 | Very low | 160 Ų | 160 | 139 Ų | 139 | 84% | 0.838 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 151.9 | -171.7 | -64.8 | 173 | 0 | 0 | 0 | 112.5 | ||
| 1142 | S | 43.8 | Very low | 39.1 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 166.6 | -174.6 | -42.9 | 0 | 0 | 0 | 0 | 114.7 | ||
| 1143 | P | 44.1 | Very low | 39.1 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | -122.7 | 128.2 | 137.9 | 34.9 | -27.1 | 0 | 0 | 0 | 114.7 | ||||
| 1144 | D | 27.9 | Very low | 38.7 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 51% | 0.508 | 73% | 0.729 | S | S | . | * | 87.6 | 158.8 | 125.3 | -61.8 | 15.4 | 0 | 0 | 0 | 123.6 | T38 | T38-D1144 WeakPolarHBondContact CA-OD1 3.27Å; T38-D1144 VanDerWaalsContact CB-CG 3.44Å; T38-D1144 VanDerWaalsContact CB-OD1 3.27Å; T38-D1144 WeakPolarHBondContact CB-OD1 3.15Å; T38-D1144 WeakPolarHBondContact CB-OD2 3.34Å; T38-D1144 HydrophobicContact CG2-CB 3.78Å; T38-D1144 WeakPolarHBondContact CG2-OD1 3.15Å | |||
| 1145 | K | 39.5 | Very low | 37.7 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 57% | 0.574 | 72% | 0.721 | S | S | * | * | trans | -125 | 179.6 | -170.2 | -49.9 | 172.1 | -176.9 | 172.1 | 0 | 108 | T38 | T38-K1145 HydrophobicContact CG2-CG 4.44Š| ||
| 1146 | A | 30.5 | Very low | 36.8 | Very low | 87 Ų | 87 | 136.5 Ų | 136.5 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | cis | -163.4 | -146.4 | 15.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1147 | P | 41.9 | Very low | 36.5 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 67% | 0.669 | 73% | 0.728 | S | S | * | * | cis | -138 | 172.9 | -27.9 | 33.3 | -13 | 0 | 0 | 0 | 116.5 | ||||
| 1148 | T | 36.2 | Very low | 36.3 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | trans | 69.7 | 158.3 | 145.7 | 41 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1149 | E | 32.7 | Very low | 36.2 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | cis | -149.8 | 144.5 | 7.1 | -137.2 | -169 | -174.6 | 0 | 0 | 116.5 | ||||
| 1150 | R | 35.8 | Very low | 35.8 | Very low | 216 Ų | 216 | 137 Ų | 137 | 82% | 0.815 | 72% | 0.721 | S | S | * | * | trans | 43.5 | 158.6 | 142.4 | -76.8 | 172.7 | 178.8 | 147.6 | -9 | 123.1 | ||||
| 1151 | A | 34.2 | Very low | 35.5 | Very low | 80 Ų | 80 | 137.8 Ų | 137.8 | 66% | 0.661 | 72% | 0.715 | S | S | * | * | cis | -162.2 | -171.9 | 33 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1152 | Q | 37.9 | Very low | 35.4 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 71% | 0.71 | 71% | 0.708 | S | S | * | * | cis | -171.1 | 158.2 | -13.5 | -126.7 | -179.9 | 108.1 | 0 | 0 | 111.8 | ||||
| 1153 | N | 36.1 | Very low | 34.9 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 60% | 0.599 | 71% | 0.705 | S | S | * | * | trans | 68.6 | 152.8 | 146.1 | -63.2 | -12.3 | 0 | 0 | 0 | 122.9 | ||||
| 1154 | Q | 36.6 | Very low | 34.5 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | cis | -165.6 | 136.5 | -13.5 | -110.8 | -171.1 | 70.5 | 0 | 0 | 116.2 | ||||
| 1155 | V | 32.9 | Very low | 34.6 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 74% | 0.739 | 72% | 0.719 | S | S | * | * | trans | 40.6 | 148.1 | 144.6 | -135.3 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 1156 | V | 33.4 | Very low | 34.3 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 84% | 0.836 | 72% | 0.723 | S | S | * | * | trans | 134.8 | 163.8 | 138 | -173.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1157 | R | 33.6 | Very low | 34.9 | Very low | 221 Ų | 221 | 137.4 Ų | 137.4 | 83% | 0.834 | 73% | 0.727 | S | S | * | * | trans | -128.4 | 164.1 | -156.1 | -50.7 | 172.9 | 174 | -172.7 | -2.8 | 115.8 | ||||
| 1158 | K | 37.2 | Very low | 34.5 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | 129.8 | 124.8 | 127.6 | -91.2 | -179.7 | 173.8 | 175.8 | 0 | 120.7 | |||||
| 1159 | R | 32.1 | Very low | 34.7 | Very low | 223 Ų | 223 | 135.2 Ų | 135.2 | 84% | 0.842 | 73% | 0.731 | S | S | * | * | trans | 69.2 | 112.8 | 131.2 | -102.3 | -170.6 | -179.6 | -177.7 | -2.5 | 124.9 | ||||
| 1160 | S | 29.8 | Very low | 35.4 | Very low | 67 Ų | 67 | 137.8 Ų | 137.8 | 47% | 0.469 | 74% | 0.74 | S | S | . | * | 74.5 | 117.7 | 116.4 | 66.6 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 1161 | Q | 32.3 | Very low | 35.7 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 68% | 0.678 | 74% | 0.743 | S | S | * | * | 73.5 | 156.3 | 128.1 | -65 | 177 | -104.9 | 0 | 0 | 120.6 | |||||
| 1162 | V | 34.6 | Very low | 35.7 | Very low | 112 Ų | 112 | 140.8 Ų | 140.8 | 68% | 0.679 | 75% | 0.748 | S | S | * | * | cis | -168.2 | -176 | -12.3 | -88 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1163 | D | 33.1 | Very low | 35.4 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | cis | -162.8 | 163.8 | 6.4 | -139.5 | -41.7 | 0 | 0 | 0 | 113.5 | ||||
| 1164 | A | 35.2 | Very low | 35.5 | Very low | 81 Ų | 81 | 143.5 Ų | 143.5 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | 57.6 | 161.7 | 149.1 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 1165 | V | 32 | Very low | 35.2 | Very low | 143 Ų | 143 | 144 Ų | 144 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | cis | -141.4 | 161.2 | 20.6 | -179.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1166 | S | 31.3 | Very low | 35.2 | Very low | 95 Ų | 95 | 144.8 Ų | 144.8 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | trans | -102.7 | 179.2 | -177.9 | 62.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1167 | P | 43.8 | Very low | 35.3 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | -135.5 | 139.8 | 86.3 | 17.7 | 4.4 | 0 | 0 | 0 | 113.6 | |||||
| 1168 | A | 34.5 | Very low | 35.1 | Very low | 90 Ų | 90 | 141.7 Ų | 141.7 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | 92.7 | 123.3 | 54.5 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 1169 | A | 40.2 | Very low | 34.8 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 78% | 0.777 | 76% | 0.756 | S | S | * | * | cis | -148.4 | -111.1 | -5.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1170 | K | 47.2 | Very low | 34.6 | Very low | 192 Ų | 192 | 130.5 Ų | 130.5 | 84% | 0.835 | 75% | 0.751 | S | S | * | * | cis | -168.8 | 91.2 | 4.4 | -155 | 171.1 | -159.6 | 171.9 | 0 | 114.9 | ||||
| 1171 | R | 41.4 | Very low | 35.2 | Very low | 234 Ų | 234 | 133.1 Ų | 133.1 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | trans | 77.6 | 150.7 | 163.9 | -60.3 | -177.6 | 161.6 | -167.8 | -7.7 | 119 | ||||
| 1172 | T | 35.3 | Very low | 35.2 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | -173.8 | 167.1 | -12.4 | 29.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1173 | C | 30.9 | Very low | 35.1 | Very low | 98 Ų | 98 | 137.8 Ų | 137.8 | 66% | 0.662 | 77% | 0.774 | S | S | * | * | cis | 175.9 | 128.5 | -32.4 | -172 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1174 | R | 37.9 | Very low | 35.1 | Very low | 223 Ų | 223 | 138.1 Ų | 138.1 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | trans | 67.7 | 170.9 | 162.7 | -72.7 | 175.1 | 178.6 | -144.9 | -2.8 | 117.9 | ||||
| 1175 | Q | 30.1 | Very low | 35.1 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | cis | -151.2 | 172.6 | 14.7 | -158 | 160.2 | -27.2 | 0 | 0 | 114.7 | ||||
| 1176 | N | 32.6 | Very low | 35.5 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -105.6 | 167.1 | 174.4 | -77.9 | -29.2 | 0 | 0 | 0 | 114.2 | ||||
| 1177 | Q | 35.8 | Very low | 35.8 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 92.5 | 131.6 | 144.2 | -90.9 | -176.2 | 57.4 | 0 | 0 | 124.2 | ||||
| 1178 | T | 30.7 | Very low | 35.6 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 77% | 0.767 | 78% | 0.784 | S | S | * | * | trans | 84.9 | 146.8 | 139 | 53.5 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 1179 | A | 29.4 | Very low | 36.4 | Very low | 102 Ų | 102 | 148.6 Ų | 148.6 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | trans | 85.8 | 138 | 160 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1180 | G | 27.6 | Very low | 36.6 | Very low | 70 Ų | 70 | 153 Ų | 153 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -99.7 | -153.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1181 | P | 44.2 | Very low | 36.3 | Very low | 123 Ų | 123 | 149.8 Ų | 149.8 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | cis | -140.6 | 174.3 | 15.8 | 44.4 | -27.1 | 0 | 0 | 0 | 117.2 | ||||
| 1182 | N | 30.5 | Very low | 36.1 | Very low | 123 Ų | 123 | 147.3 Ų | 147.3 | 66% | 0.658 | 78% | 0.782 | S | S | * | * | trans | 42.6 | 110.3 | 137.6 | -173 | 12.7 | 0 | 0 | 0 | 120.5 | ||||
| 1183 | R | 34.3 | Very low | 36.1 | Very low | 231 Ų | 231 | 147.8 Ų | 147.8 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | -174.6 | 141.9 | 115.3 | -102.5 | 175.1 | -173.5 | -147.1 | 0 | 118.2 | |||||
| 1184 | N | 32.1 | Very low | 36.4 | Very low | 148 Ų | 148 | 149 Ų | 149 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | -51.2 | 146.3 | 174.2 | -39.5 | -20.9 | 0 | 0 | 0 | 117.2 | ||||
| 1185 | S | 36.3 | Very low | 36.5 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | 174.9 | 111.8 | 119.3 | -171.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1186 | Q | 40.3 | Very low | 36.9 | Very low | 159 Ų | 159 | 149.8 Ų | 149.8 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | 53.8 | 129 | 81.9 | -81.2 | -156.6 | -0.6 | 0 | 0 | 116.7 | |||||
| 1187 | R | 35.9 | Very low | 37.1 | Very low | 232 Ų | 232 | 150.3 Ų | 150.3 | 88% | 0.875 | 80% | 0.799 | S | S | * | * | trans | 74.1 | 152.9 | 169.9 | -56.6 | 167.4 | -179.9 | -173.2 | -3.9 | 115 | ||||
| 1188 | S | 39.5 | Very low | 37.1 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | cis | -138.4 | 166.8 | 2.4 | -161.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1189 | I | 52.3 | Low | 37.5 | Very low | 141 Ų | 141 | 150.6 Ų | 150.6 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | trans | -85.8 | 144.8 | 172.9 | -69.8 | 164.5 | 0 | 0 | 0 | 110.1 | ||||
| 1190 | F | 45.3 | Very low | 38 | Very low | 188 Ų | 188 | 153.7 Ų | 153.7 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | 51.4 | 109.1 | 176.5 | -71 | -60.2 | 0 | 0 | 0 | 118.5 | ||||
| 1191 | S | 39.4 | Very low | 38.7 | Very low | 123 Ų | 123 | 159.3 Ų | 159.3 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -122 | 109.1 | 152 | 58 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1192 | F | 37.1 | Very low | 38.3 | Very low | 182 Ų | 182 | 161.9 Ų | 161.9 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | -56.5 | 171.6 | -177.4 | -101.3 | -107.9 | 0 | 0 | 0 | 117 | ||||
| 1193 | L | 35.8 | Very low | 38.9 | Very low | 137 Ų | 137 | 164.8 Ų | 164.8 | 72% | 0.717 | 82% | 0.816 | S | S | * | * | trans | 92 | 122.3 | 155.3 | -65.8 | 135.2 | 0 | 0 | 0 | 119.5 | ||||
| 1194 | D | 36.6 | Very low | 39.3 | Very low | 122 Ų | 122 | 159.3 Ų | 159.3 | 65% | 0.652 | 81% | 0.811 | S | S | * | * | 43.4 | 117.2 | 128.9 | -50.9 | 3.4 | 0 | 0 | 0 | 119.5 | |||||
| 1195 | H | 41.3 | Very low | 40 | Very low | 258 Ų | 258 | 160.4 Ų | 160.4 | 100% | 1.194 | 81% | 0.813 | S | S | * | * | -157.3 | 0 | 82.7 | -90.9 | -58.7 | 0 | 0 | 0 | 112.4 |
Retrieved 1,195 of 1,195 residues in 555.6 ms
(Link to these results)