| 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 | 36.1 | Very low | 41.9 | Very low | 235 Ų | 235 | 148.6 Ų | 148.6 | 100% | 1.158 | 85% | 0.849 | S | S | * | * | 0 | 92.3 | 0 | -78.7 | -83.8 | 174.7 | 0 | 0 | 109.7 | |||||
| 2 | P | 45.2 | Very low | 41.5 | Very low | 129 Ų | 129 | 156.8 Ų | 156.8 | 84% | 0.838 | 86% | 0.855 | S | S | * | * | trans | -130.2 | 135.9 | 146.2 | 28.4 | -11.7 | 0 | 0 | 0 | 111.8 | ||||
| 3 | M | 54.5 | Low | 41.2 | Very low | 183 Ų | 183 | 152.8 Ų | 152.8 | 90% | 0.901 | 85% | 0.847 | S | S | * | * | trans | -71.3 | 134.3 | -178.7 | -65.4 | -79.3 | -172 | 0 | 0 | 111.3 | ||||
| 4 | R | 43.2 | Very low | 41 | Very low | 256 Ų | 256 | 153.9 Ų | 153.9 | 97% | 0.966 | 85% | 0.849 | S | S | * | * | trans | -117.9 | 107.5 | 171.2 | -151.6 | 178.1 | -175.1 | -160.4 | 1.9 | 109.3 | ||||
| 5 | S | 44.4 | Very low | 40.8 | Very low | 98 Ų | 98 | 160.3 Ų | 160.3 | 69% | 0.685 | 86% | 0.855 | S | S | * | * | trans | -110 | 149.8 | 175.9 | 39.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | K | 44.3 | Very low | 40.4 | Very low | 198 Ų | 198 | 161.1 Ų | 161.1 | 86% | 0.861 | 85% | 0.849 | S | S | * | * | trans | 157.9 | 100.5 | 156.4 | -87.9 | 162 | -173 | -169.1 | 0 | 109.6 | ||||
| 7 | S | 40.6 | Very low | 39.9 | Very low | 104 Ų | 104 | 160.4 Ų | 160.4 | 73% | 0.727 | 85% | 0.846 | S | S | * | * | 67.5 | 104.9 | 88.5 | 67.7 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 8 | S | 37.6 | Very low | 39.9 | Very low | 109 Ų | 109 | 156.4 Ų | 156.4 | 76% | 0.762 | 84% | 0.839 | S | S | * | * | 65.1 | 114.5 | 84.5 | -174.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 9 | S | 41.2 | Very low | 39.7 | Very low | 122 Ų | 122 | 157 Ų | 157 | 85% | 0.853 | 84% | 0.838 | S | S | * | * | trans | -170.1 | 124.5 | 142.1 | -81 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 10 | P | 38.2 | Very low | 39.2 | Very low | 128 Ų | 128 | 155.9 Ų | 155.9 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | trans | -106.8 | 158.1 | 173.1 | 37.2 | -27.9 | 0 | 0 | 0 | 113 | ||||
| 11 | G | 35.3 | Very low | 38.8 | Very low | 73 Ų | 73 | 154.1 Ų | 154.1 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | trans | 127.4 | 127.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 12 | R | 37 | Very low | 38.6 | Very low | 246 Ų | 246 | 152.5 Ų | 152.5 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | trans | 166.6 | 111.7 | 133 | -96 | 176.7 | 175.2 | -151.2 | -1.6 | 109.7 | ||||
| 13 | S | 38.7 | Very low | 38 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | 80.4 | 95.7 | 98.5 | -163.7 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 14 | L | 38.1 | Very low | 36.7 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | 40.7 | 109.7 | 83.2 | -71.8 | 170.1 | 0 | 0 | 0 | 115.2 | |||||
| 15 | R | 38.5 | Very low | 36 | Very low | 250 Ų | 250 | 142.1 Ų | 142.1 | 94% | 0.943 | 77% | 0.773 | S | S | * | * | trans | -150.1 | 105.1 | 163.2 | -132.1 | -176.3 | -175.4 | -169.3 | 0.7 | 103 | ||||
| 16 | K | 34.4 | Very low | 35.4 | Very low | 174 Ų | 174 | 143.5 Ų | 143.5 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | cis | 68.8 | 120.7 | 38.9 | -102.8 | -168.7 | -177.2 | -178.8 | 0 | 115.4 | ||||
| 17 | N | 31.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 81.1 | 145.8 | 156.4 | -47.4 | -18.1 | 0 | 0 | 0 | 114.5 | ||||
| 18 | A | 40.2 | Very low | 34.1 | Very low | 88 Ų | 88 | 138.9 Ų | 138.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | cis | -160.5 | 138.9 | 29.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 19 | M | 36 | Very low | 33.6 | Very low | 168 Ų | 168 | 143.3 Ų | 143.3 | 83% | 0.828 | 78% | 0.781 | S | S | * | * | 89.5 | 96.8 | 92.6 | -167.4 | 178.6 | 171.1 | 0 | 0 | 111.4 | |||||
| 20 | E | 29.7 | Very low | 33 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 63% | 0.631 | 77% | 0.771 | S | S | * | * | 67.6 | 124.1 | 76.7 | -87.8 | -165.5 | 144.1 | 0 | 0 | 115.4 | |||||
| 21 | K | 30 | Very low | 32.6 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 52% | 0.517 | 77% | 0.771 | S | S | . | * | 105.6 | 129.6 | 117.5 | -89.5 | 169.7 | 172.5 | 153.7 | 0 | 121.5 | |||||
| 22 | Y | 32.5 | Very low | 32.4 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | 72.2 | 144.6 | 140 | -59.5 | -48.6 | 0 | 0 | 0 | 118.5 | ||||
| 23 | G | 32.3 | Very low | 32.1 | Very low | 60 Ų | 60 | 140.7 Ų | 140.7 | 62% | 0.619 | 76% | 0.763 | S | S | * | * | cis | -162.6 | 158.4 | 12.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 24 | K | 28 | Very low | 32.1 | Very low | 201 Ų | 201 | 141.2 Ų | 141.2 | 87% | 0.874 | 77% | 0.767 | S | S | * | * | 72.9 | 102.7 | 104.9 | -81.5 | -178.7 | 172.3 | 178.9 | 0 | 112.8 | |||||
| 25 | A | 28.7 | Very low | 32.1 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | 70.8 | 151.6 | 68.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 26 | V | 31.9 | Very low | 31.8 | Very low | 126 Ų | 126 | 131.8 Ų | 131.8 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | trans | 99.5 | 88.3 | 169.4 | -174 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 27 | T | 29.8 | Very low | 31.9 | Very low | 134 Ų | 134 | 130.3 Ų | 130.3 | 82% | 0.822 | 75% | 0.748 | S | S | * | * | 66.5 | 126.5 | 83 | 64.3 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 28 | G | 26.2 | Very low | 32.5 | Very low | 72 Ų | 72 | 131.3 Ų | 131.3 | 74% | 0.742 | 75% | 0.748 | S | S | * | * | trans | 126.4 | 117.7 | 136.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 29 | F | 27 | Very low | 33 | Very low | 202 Ų | 202 | 131.3 Ų | 131.3 | 89% | 0.886 | 74% | 0.739 | S | S | * | * | 94.1 | 118.6 | 115.6 | -144 | -102.4 | 0 | 0 | 0 | 119.1 | |||||
| 30 | S | 28.9 | Very low | 33.3 | Very low | 91 Ų | 91 | 127.4 Ų | 127.4 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | trans | 51.2 | 123.5 | 153.8 | -70.8 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 31 | L | 29.6 | Very low | 34.2 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -128.2 | 113.3 | 163.1 | -170.9 | 71.1 | 0 | 0 | 0 | 108.7 | ||||
| 32 | D | 31.2 | Very low | 35.2 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | trans | -91 | 167.2 | 176.9 | -87.1 | -39.4 | 0 | 0 | 0 | 112.7 | ||||
| 33 | T | 31.6 | Very low | 36.3 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 74% | 0.736 | 72% | 0.718 | S | S | * | * | trans | -59.2 | 136.7 | 176.4 | 41.7 | 0 | 0 | 0 | 0 | 116.1 | A35 | T33-A35 VanDerWaalsContact C-N 3.29Å; T33-A35 PolarHBondContact O-N 3.05Å | ||
| 34 | S | 37.8 | Very low | 37.2 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 83% | 0.825 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 36.4 | 29.7 | 130.5 | -163.9 | 0 | 0 | 0 | 0 | 121.7 | ||
| 35 | A | 37.7 | Very low | 38.6 | Very low | 91 Ų | 91 | 128.1 Ų | 128.1 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -153.6 | 29.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | T33 | T33-A35 VanDerWaalsContact C-N 3.29Å; T33-A35 PolarHBondContact O-N 3.05Å |
| 36 | D | 33.3 | Very low | 40.2 | Very low | 127 Ų | 127 | 128.8 Ų | 128.8 | 68% | 0.679 | 70% | 0.696 | S | S | * | * | trans | -134.9 | 47.3 | 166.1 | -106.8 | -16.1 | 0 | 0 | 0 | 111.7 | E38 | D36-E38 PolarHBondContact O-N 3.07Š| ||
| 37 | L | 36 | Very low | 41.5 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 6.5 | -175.8 | -139.5 | 116.5 | 0 | 0 | 0 | 115.2 | ||
| 38 | E | 44.5 | Very low | 43.4 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 79% | 0.794 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.8 | -20.7 | -178.3 | -90.3 | -158.6 | 147.2 | 0 | 0 | 115.8 | D36 | D36-E38 PolarHBondContact O-N 3.07Š|
| 39 | T | 49.3 | Very low | 45.4 | Very low | 88 Ų | 88 | 128.7 Ų | 128.7 | 54% | 0.54 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -77.7 | -39.7 | 178.3 | 37.6 | 0 | 0 | 0 | 0 | 111.3 | R42 T43 | T39-R42 PolarHBondContact O-N 3.17Å; T39-T43 PolarHBondContact O-N 3.38Å; T39-T43 VanDerWaalsContact O-N 3.16Å; T39-T43 PolarHBondContact O-OG1 3.23Å |
| 40 | N | 43.8 | Very low | 47.6 | Very low | 86 Ų | 86 | 125 Ų | 125 | 46% | 0.46 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -74.5 | -33.6 | -171.3 | -147 | 2.1 | 0 | 0 | 0 | 115.1 | R42 T43 M44 | N40-R42 VanDerWaalsContact C-N 3.33Å; N40-R42 PolarHBondContact O-N 3.39Å; N40-T43 WeakPolarHBondContact CA-OG1 3.47Å; N40-T43 PolarHBondContact O-N 3.34Å; N40-T43 PolarHBondContact O-OG1 3.48Å; N40-M44 PolarHBondContact O-N 3.27Å |
| 41 | Y | 48.2 | Very low | 50.2 | Low | 180 Ų | 180 | 128.1 Ų | 128.1 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.7 | -29.5 | 174.4 | -96.9 | -83.1 | 0 | 0 | 0 | 112.7 | R45 | Y41-R45 WeakPolarHBondContact O-CB 3.34Å; Y41-R45 PolarHBondContact O-N 3.12Å |
| 42 | R | 51.6 | Low | 52.6 | Low | 194 Ų | 194 | 124.1 Ų | 124.1 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.8 | -39.5 | 171.3 | -85.7 | -174.3 | 178.4 | -156.8 | 1.3 | 111.8 | T39 N40 N46 | T39-R42 PolarHBondContact O-N 3.17Å; N40-R42 VanDerWaalsContact C-N 3.33Å; N40-R42 PolarHBondContact O-N 3.39Å; R42-N46 WeakPolarHBondContact O-CB 3.43Å; R42-N46 PolarHBondContact O-N 3.44Å; R42-N46 PolarHBondContact O-ND2 3.43Å |
| 43 | T | 55.8 | Low | 54.7 | Low | 69 Ų | 69 | 123.4 Ų | 123.4 | 42% | 0.423 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.8 | -41.7 | 175.6 | 3.7 | 0 | 0 | 0 | 0 | 112.1 | T39 N40 N46 L47 | T39-T43 PolarHBondContact O-N 3.38Å; T39-T43 VanDerWaalsContact O-N 3.16Å; T39-T43 PolarHBondContact O-OG1 3.23Å; N40-T43 WeakPolarHBondContact CA-OG1 3.47Å; N40-T43 PolarHBondContact O-N 3.34Å; N40-T43 PolarHBondContact O-OG1 3.48Å; T43-N46 PolarHBondContact O-N 2.99Å; T43-L47 WeakPolarHBondContact O-CB 3.3Å; T43-L47 WeakPolarHBondContact O-CG 3.46Å; T43-L47 PolarHBondContact O-N 2.98Å |
| 44 | M | 51.2 | Low | 57 | Low | 109 Ų | 109 | 120.6 Ų | 120.6 | 54% | 0.537 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.1 | -42.1 | 178.5 | -125.3 | -165.3 | -61 | 0 | 0 | 112.3 | N40 N46 L47 E48 | N40-M44 PolarHBondContact O-N 3.27Å; M44-N46 VanDerWaalsContact C-N 3.34Å; M44-N46 PolarHBondContact O-N 3.05Å; M44-L47 PolarHBondContact O-N 3.34Å; M44-E48 WeakPolarHBondContact O-CB 3.48Å; M44-E48 PolarHBondContact O-N 3.2Å |
| 45 | R | 56.6 | Low | 59.2 | Low | 179 Ų | 179 | 117.9 Ų | 117.9 | 68% | 0.675 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -69.2 | -31 | 177.7 | -152.1 | -179.9 | -148.7 | 172.8 | 6.5 | 113.1 | Y41 N49 | Y41-R45 WeakPolarHBondContact O-CB 3.34Å; Y41-R45 PolarHBondContact O-N 3.12Å; R45-N49 WeakPolarHBondContact O-CB 3.34Å; R45-N49 PolarHBondContact O-N 3.26Å; R45-N49 VanDerWaalsContact O-N 3.07Å; R45-N49 PolarHBondContact O-ND2 2.94Å |
| 46 | N | 61.2 | Low | 61.4 | Low | 104 Ų | 104 | 119.4 Ų | 119.4 | 56% | 0.556 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.7 | -40.1 | 173.2 | -73.7 | -14.4 | 0 | 0 | 0 | 111.7 | R42 T43 M44 N49 E50 | R42-N46 WeakPolarHBondContact O-CB 3.43Å; R42-N46 PolarHBondContact O-N 3.44Å; R42-N46 PolarHBondContact O-ND2 3.43Å; T43-N46 PolarHBondContact O-N 2.99Å; M44-N46 VanDerWaalsContact C-N 3.34Å; M44-N46 PolarHBondContact O-N 3.05Å; N46-N49 PolarHBondContact O-N 3.05Å; N46-E50 WeakPolarHBondContact O-CB 3.41Å; N46-E50 WeakPolarHBondContact O-CG 3.46Å; N46-E50 PolarHBondContact O-N 3.3Å |
| 47 | L | 60.3 | Low | 63.7 | Low | 119 Ų | 119 | 119.7 Ų | 119.7 | 62% | 0.623 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.2 | -39.9 | 173.2 | -79.2 | 166.2 | 0 | 0 | 0 | 111.9 | T43 M44 E50 Y51 | T43-L47 WeakPolarHBondContact O-CB 3.3Å; T43-L47 WeakPolarHBondContact O-CG 3.46Å; T43-L47 PolarHBondContact O-N 2.98Å; M44-L47 PolarHBondContact O-N 3.34Å; L47-E50 PolarHBondContact O-N 3Å; L47-Y51 WeakPolarHBondContact O-CB 3.46Å; L47-Y51 PolarHBondContact O-N 3.35Å |
| 48 | E | 68.6 | Low | 66 | Low | 119 Ų | 119 | 118.5 Ų | 118.5 | 56% | 0.556 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.1 | -45 | 175.4 | -171.9 | 178 | -155.7 | 0 | 0 | 111.9 | M44 Y51 I52 | M44-E48 WeakPolarHBondContact O-CB 3.48Å; M44-E48 PolarHBondContact O-N 3.2Å; E48-Y51 PolarHBondContact O-N 3.42Å; E48-I52 HydrophobicContact CG-CD1 4.2Å; E48-I52 VanDerWaalsContact O-CG1 3.31Å; E48-I52 WeakPolarHBondContact O-CG1 3.49Å; E48-I52 PolarHBondContact O-N 2.86Å |
| 49 | N | 70.2 | Confident | 68 | Low | 92 Ų | 92 | 115 Ų | 115 | 49% | 0.492 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 176 | -86.1 | -27.2 | 0 | 0 | 0 | 113.3 | R45 N46 K53 | R45-N49 WeakPolarHBondContact O-CB 3.34Å; R45-N49 PolarHBondContact O-N 3.26Å; R45-N49 VanDerWaalsContact O-N 3.07Å; R45-N49 PolarHBondContact O-ND2 2.94Å; N46-N49 PolarHBondContact O-N 3.05Å; N49-K53 PolarHBondContact O-N 3.1Å |
| 50 | E | 72.9 | Confident | 69.9 | Low | 124 Ų | 124 | 117.8 Ų | 117.8 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.5 | -38.4 | 174.3 | -78.3 | -67.6 | 125.5 | 0 | 0 | 111.5 | N46 L47 K53 S54 | N46-E50 WeakPolarHBondContact O-CB 3.41Å; N46-E50 WeakPolarHBondContact O-CG 3.46Å; N46-E50 PolarHBondContact O-N 3.3Å; L47-E50 PolarHBondContact O-N 3Å; E50-K53 PolarHBondContact O-N 3.5Å; E50-S54 VanDerWaalsContact O-CB 3.32Å; E50-S54 WeakPolarHBondContact O-CB 3.27Å; E50-S54 PolarHBondContact O-N 3.32Å |
| 51 | Y | 82 | Confident | 71.9 | Confident | 156 Ų | 156 | 118.8 Ų | 118.8 | 61% | 0.612 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.9 | -42.7 | 175.4 | -173.8 | -112.8 | 0 | 0 | 0 | 112.4 | L47 E48 S54 L55 | L47-Y51 WeakPolarHBondContact O-CB 3.46Å; L47-Y51 PolarHBondContact O-N 3.35Å; E48-Y51 PolarHBondContact O-N 3.42Å; Y51-S54 PolarHBondContact O-N 2.78Å; Y51-L55 HydrophobicContact CD1-CD1 3.79Å; Y51-L55 HydrophobicContact CE1-CD1 3.35Å; Y51-L55 HydrophobicContact CE1-CG 4.27Å; Y51-L55 HydrophobicContact CE2-CD1 4.39Å; Y51-L55 HydrophobicContact CE2-CG 4.5Å; Y51-L55 HydrophobicContact CG-CD1 4.48Å; Y51-L55 PolarHBondContact O-N 3.34Å |
| 52 | I | 80.4 | Confident | 73.7 | Confident | 73 Ų | 73 | 114.5 Ų | 114.5 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 175.8 | -69.3 | 166.8 | 0 | 0 | 0 | 111.1 | E48 S54 L55 Q56 | E48-I52 HydrophobicContact CG-CD1 4.2Å; E48-I52 VanDerWaalsContact O-CG1 3.31Å; E48-I52 WeakPolarHBondContact O-CG1 3.49Å; E48-I52 PolarHBondContact O-N 2.86Å; I52-S54 PolarHBondContact O-N 3.09Å; I52-L55 PolarHBondContact O-N 3.41Å; I52-Q56 HydrophobicContact CG2-CG 4.47Å; I52-Q56 WeakPolarHBondContact O-CB 3.45Å; I52-Q56 WeakPolarHBondContact O-CG 3.33Å; I52-Q56 PolarHBondContact O-N 3.43Å |
| 53 | K | 76.1 | Confident | 75.4 | Confident | 130 Ų | 130 | 110.6 Ų | 110.6 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.6 | -42.7 | 175.2 | -90.5 | -177.7 | 176.9 | 175.8 | 0 | 112.4 | N49 E50 Q56 Q57 | N49-K53 PolarHBondContact O-N 3.1Å; E50-K53 PolarHBondContact O-N 3.5Å; K53-Q56 PolarHBondContact O-N 3.34Å; K53-Q57 WeakPolarHBondContact O-CB 3.49Å; K53-Q57 PolarHBondContact O-N 3.02Å |
| 54 | S | 80.4 | Confident | 76.9 | Confident | 61 Ų | 61 | 111.6 Ų | 111.6 | 43% | 0.427 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 111.6 | E50 Y51 I52 Q57 Q58 | E50-S54 VanDerWaalsContact O-CB 3.32Å; E50-S54 WeakPolarHBondContact O-CB 3.27Å; E50-S54 PolarHBondContact O-N 3.32Å; Y51-S54 PolarHBondContact O-N 2.78Å; I52-S54 PolarHBondContact O-N 3.09Å; S54-Q57 PolarHBondContact O-N 2.85Å; S54-Q58 WeakPolarHBondContact O-CB 3.5Å; S54-Q58 PolarHBondContact O-N 3.03Å |
| 55 | L | 83.1 | Confident | 78.7 | Confident | 62 Ų | 62 | 112 Ų | 112 | 33% | 0.325 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63 | -43 | 174.8 | -80.7 | 170 | 0 | 0 | 0 | 112.5 | Y51 I52 Q57 Q58 I59 | Y51-L55 HydrophobicContact CD1-CD1 3.79Å; Y51-L55 HydrophobicContact CE1-CD1 3.35Å; Y51-L55 HydrophobicContact CE1-CG 4.27Å; Y51-L55 HydrophobicContact CE2-CD1 4.39Å; Y51-L55 HydrophobicContact CE2-CG 4.5Å; Y51-L55 HydrophobicContact CG-CD1 4.48Å; Y51-L55 PolarHBondContact O-N 3.34Å; I52-L55 PolarHBondContact O-N 3.41Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; L55-Q57 PolarHBondContact O-N 3.35Å; L55-Q58 PolarHBondContact O-N 3.28Å; L55-I59 WeakPolarHBondContact O-CG1 3.46Å; L55-I59 PolarHBondContact O-N 3.22Å |
| 56 | Q | 83.8 | Confident | 80.3 | Confident | 122 Ų | 122 | 107.2 Ų | 107.2 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.1 | -42.1 | 175.4 | -76.6 | 176.2 | -19.7 | 0 | 0 | 111.9 | I52 K53 Q58 I59 Y60 | I52-Q56 HydrophobicContact CG2-CG 4.47Å; I52-Q56 WeakPolarHBondContact O-CB 3.45Å; I52-Q56 WeakPolarHBondContact O-CG 3.33Å; I52-Q56 PolarHBondContact O-N 3.43Å; K53-Q56 PolarHBondContact O-N 3.34Å; Q56-Q58 VanDerWaalsContact C-N 3.32Å; Q56-Q58 PolarHBondContact O-N 2.88Å; Q56-I59 PolarHBondContact O-N 3.27Å; Q56-Y60 WeakPolarHBondContact O-CB 3.36Å; Q56-Y60 PolarHBondContact O-N 3.07Å |
| 57 | Q | 81.9 | Confident | 81.5 | Confident | 133 Ų | 133 | 107.2 Ų | 107.2 | 62% | 0.621 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -36.8 | 177.6 | -163.8 | 168.9 | 19.8 | 0 | 0 | 111.7 | K53 S54 L55 L61 | K53-Q57 WeakPolarHBondContact O-CB 3.49Å; K53-Q57 PolarHBondContact O-N 3.02Å; S54-Q57 PolarHBondContact O-N 2.85Å; L55-Q57 VanDerWaalsContact C-N 3.34Å; L55-Q57 PolarHBondContact O-N 3.35Å; Q57-L61 WeakPolarHBondContact O-CG 3.42Å; Q57-L61 PolarHBondContact O-N 3.41Å |
| 58 | Q | 83.3 | Confident | 82.9 | Confident | 118 Ų | 118 | 108.8 Ų | 108.8 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.4 | -40.5 | 177.6 | -156.1 | 168.4 | 67.7 | 0 | 0 | 112.2 | S54 L55 Q56 L61 L62 | S54-Q58 WeakPolarHBondContact O-CB 3.5Å; S54-Q58 PolarHBondContact O-N 3.03Å; L55-Q58 PolarHBondContact O-N 3.28Å; Q56-Q58 VanDerWaalsContact C-N 3.32Å; Q56-Q58 PolarHBondContact O-N 2.88Å; Q58-L61 PolarHBondContact O-N 3.46Å; Q58-L62 WeakPolarHBondContact O-CB 3.5Å; Q58-L62 WeakPolarHBondContact O-CG 3.35Å; Q58-L62 PolarHBondContact O-N 3.37Å |
| 59 | I | 87.4 | Confident | 83.8 | Confident | 96 Ų | 96 | 107.4 Ų | 107.4 | 49% | 0.492 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -46.3 | 173 | -69.6 | 167.5 | 0 | 0 | 0 | 110.6 | L55 Q56 L61 L62 E63 | L55-I59 WeakPolarHBondContact O-CG1 3.46Å; L55-I59 PolarHBondContact O-N 3.22Å; Q56-I59 PolarHBondContact O-N 3.27Å; I59-L61 VanDerWaalsContact C-N 3.34Å; I59-L61 PolarHBondContact O-N 3.07Å; I59-L62 PolarHBondContact O-N 3.45Å; I59-E63 HydrophobicContact CG2-CG 4.44Å; I59-E63 WeakPolarHBondContact O-CG 3.32Å; I59-E63 PolarHBondContact O-N 3.16Å |
| 60 | Y | 89.4 | Confident | 84.6 | Confident | 148 Ų | 148 | 110.9 Ų | 110.9 | 58% | 0.58 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | 178.9 | 179.9 | -106.5 | 0 | 0 | 0 | 112.7 | Q56 E63 L64 | Q56-Y60 WeakPolarHBondContact O-CB 3.36Å; Q56-Y60 PolarHBondContact O-N 3.07Å; Y60-E63 PolarHBondContact O-N 3.02Å; Y60-L64 HydrophobicContact CD1-CD1 4.04Å; Y60-L64 HydrophobicContact CE1-CD1 3.51Å; Y60-L64 PolarHBondContact O-N 3.47Å |
| 61 | L | 85.4 | Confident | 85.2 | Confident | 106 Ų | 106 | 111.5 Ų | 111.5 | 56% | 0.555 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 174 | -81.9 | 162.1 | 0 | 0 | 0 | 112.2 | Q57 Q58 I59 E63 L64 E65 | Q57-L61 WeakPolarHBondContact O-CG 3.42Å; Q57-L61 PolarHBondContact O-N 3.41Å; Q58-L61 PolarHBondContact O-N 3.46Å; I59-L61 VanDerWaalsContact C-N 3.34Å; I59-L61 PolarHBondContact O-N 3.07Å; L61-E63 VanDerWaalsContact C-N 3.33Å; L61-E63 PolarHBondContact O-N 3.49Å; L61-L64 PolarHBondContact O-N 3.01Å; L61-E65 WeakPolarHBondContact O-CB 3.44Å; L61-E65 PolarHBondContact O-N 3.12Å |
| 62 | L | 87.1 | Confident | 85.3 | Confident | 91 Ų | 91 | 108.8 Ų | 108.8 | 48% | 0.476 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 175.8 | -81.9 | 164.6 | 0 | 0 | 0 | 112.6 | Q58 I59 N66 | Q58-L62 WeakPolarHBondContact O-CB 3.5Å; Q58-L62 WeakPolarHBondContact O-CG 3.35Å; Q58-L62 PolarHBondContact O-N 3.37Å; I59-L62 PolarHBondContact O-N 3.45Å; L62-N66 VanDerWaalsContact O-CB 3.32Å; L62-N66 WeakPolarHBondContact O-CB 3.22Å; L62-N66 PolarHBondContact O-N 3.49Å |
| 63 | E | 86.2 | Confident | 85.4 | Confident | 112 Ų | 112 | 107.7 Ų | 107.7 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 174 | -77.5 | -179.1 | 160.9 | 0 | 0 | 112 | I59 Y60 L61 N67 | I59-E63 HydrophobicContact CG2-CG 4.44Å; I59-E63 WeakPolarHBondContact O-CG 3.32Å; I59-E63 PolarHBondContact O-N 3.16Å; Y60-E63 PolarHBondContact O-N 3.02Å; L61-E63 VanDerWaalsContact C-N 3.33Å; L61-E63 PolarHBondContact O-N 3.49Å; E63-N67 WeakPolarHBondContact O-CB 3.48Å; E63-N67 PolarHBondContact O-N 3.04Å; E63-N67 PolarHBondContact O-ND2 3.25Å |
| 64 | L | 87.7 | Confident | 85.6 | Confident | 89 Ų | 89 | 104.1 Ų | 104.1 | 47% | 0.466 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -45.2 | 172.9 | -88.7 | 163.3 | 0 | 0 | 0 | 111.7 | Y60 L61 N67 Y68 | Y60-L64 HydrophobicContact CD1-CD1 4.04Å; Y60-L64 HydrophobicContact CE1-CD1 3.51Å; Y60-L64 PolarHBondContact O-N 3.47Å; L61-L64 PolarHBondContact O-N 3.01Å; L64-N67 PolarHBondContact O-N 2.96Å; L64-Y68 PolarHBondContact O-N 3.33Å |
| 65 | E | 88.6 | Confident | 85.7 | Confident | 118 Ų | 118 | 105.6 Ų | 105.6 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -43.1 | 178 | -170 | 174.6 | -154.8 | 0 | 0 | 111.7 | L61 N67 Y68 I69 | L61-E65 WeakPolarHBondContact O-CB 3.44Å; L61-E65 PolarHBondContact O-N 3.12Å; E65-N67 VanDerWaalsContact C-N 3.35Å; E65-N67 PolarHBondContact O-N 3.41Å; E65-Y68 PolarHBondContact O-N 3.06Å; E65-I69 HydrophobicContact CG-CD1 4.14Å; E65-I69 WeakPolarHBondContact O-CG1 3.45Å; E65-I69 PolarHBondContact O-N 3.45Å |
| 66 | N | 89.3 | Confident | 85.6 | Confident | 79 Ų | 79 | 106.4 Ų | 106.4 | 42% | 0.422 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 173.9 | -106.6 | -68.5 | 0 | 0 | 0 | 112.5 | L62 I69 R70 | L62-N66 VanDerWaalsContact O-CB 3.32Å; L62-N66 WeakPolarHBondContact O-CB 3.22Å; L62-N66 PolarHBondContact O-N 3.49Å; N66-I69 PolarHBondContact O-N 3.43Å; N66-R70 WeakPolarHBondContact O-CB 3.48Å; N66-R70 VanDerWaalsContact O-CG 3.32Å; N66-R70 WeakPolarHBondContact O-CG 3.42Å; N66-R70 PolarHBondContact O-N 3.38Å |
| 67 | N | 88.1 | Confident | 85.4 | Confident | 104 Ų | 104 | 107.2 Ų | 107.2 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.7 | -42.3 | 175.4 | -92.5 | -46.7 | 0 | 0 | 0 | 111.3 | E63 L64 E65 R70 H71 | E63-N67 WeakPolarHBondContact O-CB 3.48Å; E63-N67 PolarHBondContact O-N 3.04Å; E63-N67 PolarHBondContact O-ND2 3.25Å; L64-N67 PolarHBondContact O-N 2.96Å; E65-N67 VanDerWaalsContact C-N 3.35Å; E65-N67 PolarHBondContact O-N 3.41Å; N67-R70 PolarHBondContact O-N 3.49Å; N67-H71 VanDerWaalsContact O-CB 3.29Å; N67-H71 WeakPolarHBondContact O-CB 3.47Å; N67-H71 PolarHBondContact O-N 3.39Å |
| 68 | Y | 88.9 | Confident | 85.3 | Confident | 151 Ų | 151 | 106.9 Ų | 106.9 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 176.3 | -177.7 | -97.4 | 0 | 0 | 0 | 112.2 | L64 E65 H71 Q72 | L64-Y68 PolarHBondContact O-N 3.33Å; E65-Y68 PolarHBondContact O-N 3.06Å; Y68-H71 PolarHBondContact O-N 2.9Å; Y68-Q72 WeakPolarHBondContact O-CB 3.47Å; Y68-Q72 PolarHBondContact O-N 3.3Å |
| 69 | I | 87.7 | Confident | 85.3 | Confident | 91 Ų | 91 | 106.5 Ų | 106.5 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64 | -43.4 | 178 | -66.4 | 168.2 | 0 | 0 | 0 | 110.9 | E65 N66 H71 Q72 A73 | E65-I69 HydrophobicContact CG-CD1 4.14Å; E65-I69 WeakPolarHBondContact O-CG1 3.45Å; E65-I69 PolarHBondContact O-N 3.45Å; N66-I69 PolarHBondContact O-N 3.43Å; I69-H71 VanDerWaalsContact C-N 3.34Å; I69-H71 PolarHBondContact O-N 2.94Å; I69-Q72 PolarHBondContact O-N 3.3Å; I69-A73 VanDerWaalsContact O-CB 3.26Å; I69-A73 WeakPolarHBondContact O-CB 3.43Å; I69-A73 PolarHBondContact O-N 3.33Å |
| 70 | R | 86.2 | Confident | 85.1 | Confident | 165 Ų | 165 | 107 Ų | 107 | 62% | 0.623 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.7 | -41.2 | 175.4 | -75 | -175.1 | -132.5 | -170.7 | 4.5 | 111.8 | N66 N67 A73 A74 | N66-R70 WeakPolarHBondContact O-CB 3.48Å; N66-R70 VanDerWaalsContact O-CG 3.32Å; N66-R70 WeakPolarHBondContact O-CG 3.42Å; N66-R70 PolarHBondContact O-N 3.38Å; N67-R70 PolarHBondContact O-N 3.49Å; R70-A73 PolarHBondContact O-N 3.41Å; R70-A74 VanDerWaalsContact O-CB 3.24Å; R70-A74 WeakPolarHBondContact O-CB 3.48Å; R70-A74 PolarHBondContact O-N 3.09Å |
| 71 | H | 85.4 | Confident | 85 | Confident | 136 Ų | 136 | 103.5 Ų | 103.5 | 63% | 0.63 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -41.5 | 178.2 | -158.8 | -62.9 | 0 | 0 | 0 | 111.6 | N67 Y68 I69 A74 E75 | N67-H71 VanDerWaalsContact O-CB 3.29Å; N67-H71 WeakPolarHBondContact O-CB 3.47Å; N67-H71 PolarHBondContact O-N 3.39Å; Y68-H71 PolarHBondContact O-N 2.9Å; I69-H71 VanDerWaalsContact C-N 3.34Å; I69-H71 PolarHBondContact O-N 2.94Å; H71-A74 PolarHBondContact O-N 3.39Å; H71-E75 WeakPolarHBondContact O-CB 3.49Å; H71-E75 PolarHBondContact O-N 3.49Å |
| 72 | Q | 85.8 | Confident | 85.1 | Confident | 99 Ų | 99 | 104.1 Ų | 104.1 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69 | -40.4 | 176.5 | -169.5 | 172.2 | 62.9 | 0 | 0 | 111.9 | Y68 I69 E75 V76 | Y68-Q72 WeakPolarHBondContact O-CB 3.47Å; Y68-Q72 PolarHBondContact O-N 3.3Å; I69-Q72 PolarHBondContact O-N 3.3Å; Q72-E75 PolarHBondContact O-N 3.17Å; Q72-V76 VanDerWaalsContact O-CG2 3.31Å; Q72-V76 WeakPolarHBondContact O-CG2 3.46Å; Q72-V76 PolarHBondContact O-N 3.34Å |
| 73 | A | 80.8 | Confident | 85.1 | Confident | 51 Ų | 51 | 105.3 Ų | 105.3 | 42% | 0.421 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | I69 R70 V76 M77 | I69-A73 VanDerWaalsContact O-CB 3.26Å; I69-A73 WeakPolarHBondContact O-CB 3.43Å; I69-A73 PolarHBondContact O-N 3.33Å; R70-A73 PolarHBondContact O-N 3.41Å; A73-V76 PolarHBondContact O-N 3.09Å; A73-M77 VanDerWaalsContact O-CB 3.29Å; A73-M77 WeakPolarHBondContact O-CB 3.47Å; A73-M77 WeakPolarHBondContact O-CG 3.44Å; A73-M77 PolarHBondContact O-N 3.46Å |
| 74 | A | 81.6 | Confident | 85.3 | Confident | 55 Ų | 55 | 104.3 Ų | 104.3 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R70 H71 V76 M77 D78 | R70-A74 VanDerWaalsContact O-CB 3.24Å; R70-A74 WeakPolarHBondContact O-CB 3.48Å; R70-A74 PolarHBondContact O-N 3.09Å; H71-A74 PolarHBondContact O-N 3.39Å; A74-V76 PolarHBondContact O-N 3.33Å; A74-M77 PolarHBondContact O-N 3.43Å; A74-D78 WeakPolarHBondContact O-CB 3.43Å; A74-D78 PolarHBondContact O-N 3.4Å |
| 75 | E | 82.5 | Confident | 85.4 | Confident | 91 Ų | 91 | 103.6 Ų | 103.6 | 43% | 0.425 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 178 | -163.1 | -172.6 | 166.1 | 0 | 0 | 112.5 | H71 Q72 D78 K79 | H71-E75 WeakPolarHBondContact O-CB 3.49Å; H71-E75 PolarHBondContact O-N 3.49Å; Q72-E75 PolarHBondContact O-N 3.17Å; E75-D78 PolarHBondContact O-N 3.45Å; E75-K79 HydrophobicContact CG-CD 4.29Å; E75-K79 WeakPolarHBondContact O-CB 3.32Å; E75-K79 WeakPolarHBondContact O-CG 3.3Å; E75-K79 PolarHBondContact O-N 3.16Å; E75-K79 IonicContact OE1-NZ 2.65Å; E75-K79 PolarHBondContact OE1-NZ 3.28Å |
| 76 | V | 81.2 | Confident | 85.5 | Confident | 79 Ų | 79 | 104.3 Ų | 104.3 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 173.5 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | Q72 A73 A74 D78 K79 Q80 | Q72-V76 VanDerWaalsContact O-CG2 3.31Å; Q72-V76 WeakPolarHBondContact O-CG2 3.46Å; Q72-V76 PolarHBondContact O-N 3.34Å; A73-V76 PolarHBondContact O-N 3.09Å; A74-V76 PolarHBondContact O-N 3.33Å; V76-D78 PolarHBondContact O-N 3.36Å; V76-K79 PolarHBondContact O-N 3.43Å; V76-Q80 WeakPolarHBondContact O-CB 3.4Å; V76-Q80 PolarHBondContact O-N 3.36Å |
| 77 | M | 79 | Confident | 85.6 | Confident | 139 Ų | 139 | 103.3 Ų | 103.3 | 69% | 0.685 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.4 | -31.5 | 176.1 | -74.8 | -127.2 | -45.6 | 0 | 0 | 112.5 | A73 A74 P81 | A73-M77 VanDerWaalsContact O-CB 3.29Å; A73-M77 WeakPolarHBondContact O-CB 3.47Å; A73-M77 WeakPolarHBondContact O-CG 3.44Å; A73-M77 PolarHBondContact O-N 3.46Å; A74-M77 PolarHBondContact O-N 3.43Å; M77-P81 WeakPolarHBondContact O-CD 3.29Å; M77-P81 WeakPolarHBondContact O-CG 3.38Å |
| 78 | D | 80.4 | Confident | 85.9 | Confident | 126 Ų | 126 | 101.7 Ų | 101.7 | 67% | 0.674 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -80 | -37.7 | 179 | -145.2 | 31.6 | 0 | 0 | 0 | 111.4 | A74 E75 V76 | A74-D78 WeakPolarHBondContact O-CB 3.43Å; A74-D78 PolarHBondContact O-N 3.4Å; E75-D78 PolarHBondContact O-N 3.45Å; V76-D78 PolarHBondContact O-N 3.36Å |
| 79 | K | 81.9 | Confident | 86.1 | Confident | 110 Ų | 110 | 99.6 Ų | 99.6 | 48% | 0.478 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -78.3 | -32.1 | 178.5 | -72.5 | 175.3 | 176.5 | 173.4 | 0 | 113.9 | E75 V76 L82 M83 | E75-K79 HydrophobicContact CG-CD 4.29Å; E75-K79 WeakPolarHBondContact O-CB 3.32Å; E75-K79 WeakPolarHBondContact O-CG 3.3Å; E75-K79 PolarHBondContact O-N 3.16Å; E75-K79 IonicContact OE1-NZ 2.65Å; E75-K79 PolarHBondContact OE1-NZ 3.28Å; V76-K79 PolarHBondContact O-N 3.43Å; K79-L82 PolarHBondContact O-N 3.31Å; K79-M83 WeakPolarHBondContact O-CG 3.47Å; K79-M83 PolarHBondContact O-N 3.41Å |
| 80 | Q | 84.1 | Confident | 86.5 | Confident | 108 Ų | 108 | 98.2 Ų | 98.2 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | -174.1 | -175.6 | 170.8 | 13 | 0 | 0 | 113.3 | V76 L82 M83 V84 | V76-Q80 WeakPolarHBondContact O-CB 3.4Å; V76-Q80 PolarHBondContact O-N 3.36Å; Q80-L82 VanDerWaalsContact C-N 3.33Å; Q80-L82 PolarHBondContact O-N 3.5Å; Q80-M83 PolarHBondContact O-N 3.44Å; Q80-V84 HydrophobicContact CG-CG2 4.45Å; Q80-V84 WeakPolarHBondContact O-CB 3.42Å; Q80-V84 VanDerWaalsContact O-CG2 3.24Å; Q80-V84 WeakPolarHBondContact O-CG2 3.44Å; Q80-V84 PolarHBondContact O-N 2.99Å |
| 81 | P | 86.5 | Confident | 86.9 | Confident | 73 Ų | 73 | 95.1 Ų | 95.1 | 47% | 0.474 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 174.1 | -23.2 | 33.3 | 0 | 0 | 0 | 113 | M77 V84 C85 | M77-P81 WeakPolarHBondContact O-CD 3.29Å; M77-P81 WeakPolarHBondContact O-CG 3.38Å; P81-V84 PolarHBondContact O-N 2.9Å; P81-C85 WeakPolarHBondContact O-CB 3.22Å; P81-C85 PolarHBondContact O-N 3.09Å; P81-C85 PolarHBondContact O-SG 3.22Å; P81-C85 VanDerWaalsContact O-SG 3.41Å |
| 82 | L | 87.5 | Confident | 87.5 | Confident | 119 Ų | 119 | 95 Ų | 95 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.1 | -46.5 | 176.5 | -68.8 | 173.4 | 0 | 0 | 0 | 111.2 | K79 Q80 V84 C85 E86 | K79-L82 PolarHBondContact O-N 3.31Å; Q80-L82 VanDerWaalsContact C-N 3.33Å; Q80-L82 PolarHBondContact O-N 3.5Å; L82-V84 VanDerWaalsContact C-N 3.34Å; L82-V84 PolarHBondContact O-N 3.08Å; L82-C85 PolarHBondContact O-N 3.44Å; L82-E86 WeakPolarHBondContact O-CB 3.38Å; L82-E86 PolarHBondContact O-N 3.49Å |
| 83 | M | 88.2 | Confident | 88 | Confident | 117 Ų | 117 | 97 Ų | 97 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.9 | -40.5 | 175.1 | -72.8 | -168.4 | -54.4 | 0 | 0 | 112.2 | K79 Q80 E86 A87 | K79-M83 WeakPolarHBondContact O-CG 3.47Å; K79-M83 PolarHBondContact O-N 3.41Å; Q80-M83 PolarHBondContact O-N 3.44Å; M83-E86 PolarHBondContact O-N 3.4Å; M83-A87 WeakPolarHBondContact O-CB 3.46Å; M83-A87 PolarHBondContact O-N 3.19Å |
| 84 | V | 90 | Very high | 88.7 | Confident | 90 Ų | 90 | 100.1 Ų | 100.1 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.8 | -41.4 | 177.1 | 171.4 | 0 | 0 | 0 | 0 | 110.8 | Q80 P81 L82 S88 | Q80-V84 HydrophobicContact CG-CG2 4.45Å; Q80-V84 WeakPolarHBondContact O-CB 3.42Å; Q80-V84 VanDerWaalsContact O-CG2 3.24Å; Q80-V84 WeakPolarHBondContact O-CG2 3.44Å; Q80-V84 PolarHBondContact O-N 2.99Å; P81-V84 PolarHBondContact O-N 2.9Å; L82-V84 VanDerWaalsContact C-N 3.34Å; L82-V84 PolarHBondContact O-N 3.08Å; V84-S88 VanDerWaalsContact O-CB 3.23Å; V84-S88 WeakPolarHBondContact O-CB 3.5Å; V84-S88 PolarHBondContact O-N 3.24Å |
| 85 | C | 90.1 | Very high | 89.4 | Confident | 75 Ų | 75 | 103.4 Ų | 103.4 | 51% | 0.507 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 173.8 | -79.8 | 0 | 0 | 0 | 0 | 112 | P81 L82 S88 N89 | P81-C85 WeakPolarHBondContact O-CB 3.22Å; P81-C85 PolarHBondContact O-N 3.09Å; P81-C85 PolarHBondContact O-SG 3.22Å; P81-C85 VanDerWaalsContact O-SG 3.41Å; L82-C85 PolarHBondContact O-N 3.44Å; C85-S88 PolarHBondContact O-N 3.47Å; C85-N89 WeakPolarHBondContact O-CB 3.28Å; C85-N89 PolarHBondContact O-N 3.3Å; C85-N89 PolarHBondContact O-ND2 3.35Å |
| 86 | E | 90.2 | Very high | 90.1 | Very high | 132 Ų | 132 | 103.9 Ų | 103.9 | 62% | 0.617 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.8 | -39.9 | 178.6 | -169.4 | 175.3 | -169 | 0 | 0 | 111.8 | L82 M83 S90 | L82-E86 WeakPolarHBondContact O-CB 3.38Å; L82-E86 PolarHBondContact O-N 3.49Å; M83-E86 PolarHBondContact O-N 3.4Å; E86-S90 VanDerWaalsContact O-CB 3.24Å; E86-S90 WeakPolarHBondContact O-CB 3.48Å; E86-S90 PolarHBondContact O-N 3.21Å; E86-S90 PolarHBondContact O-OG 3.49Å |
| 87 | A | 91.8 | Very high | 90.9 | Very high | 59 Ų | 59 | 105.2 Ų | 105.2 | 49% | 0.488 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65 | -42 | 173 | 0 | 0 | 0 | 0 | 0 | 111.9 | M83 S90 L91 | M83-A87 WeakPolarHBondContact O-CB 3.46Å; M83-A87 PolarHBondContact O-N 3.19Å; A87-S90 PolarHBondContact O-N 3.16Å; A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 PolarHBondContact O-N 3.13Å |
| 88 | S | 93.4 | Very high | 91.8 | Very high | 70 Ų | 70 | 104.3 Ų | 104.3 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65 | -44 | 176 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | V84 C85 S90 L91 K92 | V84-S88 VanDerWaalsContact O-CB 3.23Å; V84-S88 WeakPolarHBondContact O-CB 3.5Å; V84-S88 PolarHBondContact O-N 3.24Å; C85-S88 PolarHBondContact O-N 3.47Å; S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 PolarHBondContact O-N 3.39Å; S88-L91 WeakPolarHBondContact O-CB 3.27Å; S88-L91 PolarHBondContact O-N 3.43Å; S88-K92 WeakPolarHBondContact O-CB 3.38Å; S88-K92 PolarHBondContact O-N 3.43Å |
| 89 | N | 94.7 | Very high | 92.6 | Very high | 107 Ų | 107 | 105 Ų | 105 | 57% | 0.572 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | 174.1 | -74 | -20.9 | 0 | 0 | 0 | 111.4 | C85 K92 K93 | C85-N89 WeakPolarHBondContact O-CB 3.28Å; C85-N89 PolarHBondContact O-N 3.3Å; C85-N89 PolarHBondContact O-ND2 3.35Å; N89-K92 PolarHBondContact O-N 3.38Å; N89-K93 WeakPolarHBondContact O-CB 3.5Å; N89-K93 PolarHBondContact O-N 3.29Å |
| 90 | S | 95.6 | Very high | 93.4 | Very high | 62 Ų | 62 | 108.2 Ų | 108.2 | 43% | 0.434 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 174.5 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | E86 A87 S88 K93 L94 | E86-S90 VanDerWaalsContact O-CB 3.24Å; E86-S90 WeakPolarHBondContact O-CB 3.48Å; E86-S90 PolarHBondContact O-N 3.21Å; E86-S90 PolarHBondContact O-OG 3.49Å; A87-S90 PolarHBondContact O-N 3.16Å; S88-S90 VanDerWaalsContact C-N 3.34Å; S88-S90 PolarHBondContact O-N 3.39Å; S90-K93 PolarHBondContact O-N 3.02Å; S90-L94 WeakPolarHBondContact O-CB 3.32Å; S90-L94 VanDerWaalsContact O-CG 3.3Å; S90-L94 WeakPolarHBondContact O-CG 3.34Å; S90-L94 PolarHBondContact O-N 3Å |
| 91 | L | 95.6 | Very high | 94.1 | Very high | 99 Ų | 99 | 106.3 Ų | 106.3 | 52% | 0.518 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.4 | -43.2 | 176.1 | -167.6 | 84 | 0 | 0 | 0 | 111.6 | A87 S88 L94 K95 | A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 PolarHBondContact O-N 3.13Å; S88-L91 WeakPolarHBondContact O-CB 3.27Å; S88-L91 PolarHBondContact O-N 3.43Å; L91-L94 PolarHBondContact O-N 3.47Å; L91-K95 PolarHBondContact O-N 3.4Å |
| 92 | K | 96.1 | Very high | 94.6 | Very high | 133 Ų | 133 | 106.6 Ų | 106.6 | 58% | 0.578 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.9 | -46.3 | 175.1 | -172.5 | -178 | 177.6 | -172.6 | 0 | 110.7 | S88 N89 L94 K95 E96 | S88-K92 WeakPolarHBondContact O-CB 3.38Å; S88-K92 PolarHBondContact O-N 3.43Å; N89-K92 PolarHBondContact O-N 3.38Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.39Å; K92-K95 PolarHBondContact O-N 3.32Å; K92-K95 VanDerWaalsContact O-N 3.17Å; K92-E96 VanDerWaalsContact CE-OE1 3.26Å; K92-E96 WeakPolarHBondContact CE-OE1 3.4Å; K92-E96 WeakPolarHBondContact O-CG 3.39Å; K92-E96 PolarHBondContact O-N 3.45Å |
| 93 | K | 96.6 | Very high | 95.1 | Very high | 142 Ų | 142 | 102.7 Ų | 102.7 | 62% | 0.617 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.3 | -37.4 | 176.3 | -167.8 | 168.4 | -175 | 175.7 | 0 | 112.3 | N89 S90 M97 | N89-K93 WeakPolarHBondContact O-CB 3.5Å; N89-K93 PolarHBondContact O-N 3.29Å; S90-K93 PolarHBondContact O-N 3.02Å; K93-M97 VanDerWaalsContact O-CB 3.32Å; K93-M97 WeakPolarHBondContact O-CB 3.43Å; K93-M97 WeakPolarHBondContact O-CG 3.47Å; K93-M97 PolarHBondContact O-N 3.46Å |
| 94 | L | 96.6 | Very high | 95.6 | Very high | 116 Ų | 116 | 101.3 Ų | 101.3 | 61% | 0.607 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 173 | -78.5 | 168.6 | 0 | 0 | 0 | 111.8 | S90 L91 K92 M97 Q98 | S90-L94 WeakPolarHBondContact O-CB 3.32Å; S90-L94 VanDerWaalsContact O-CG 3.3Å; S90-L94 WeakPolarHBondContact O-CG 3.34Å; S90-L94 PolarHBondContact O-N 3Å; L91-L94 PolarHBondContact O-N 3.47Å; K92-L94 VanDerWaalsContact C-N 3.33Å; K92-L94 PolarHBondContact O-N 3.39Å; L94-M97 PolarHBondContact O-N 3.32Å; L94-Q98 WeakPolarHBondContact O-CB 3.39Å; L94-Q98 PolarHBondContact O-N 3.12Å |
| 95 | K | 96.6 | Very high | 96 | Very high | 124 Ų | 124 | 100.4 Ų | 100.4 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -46.2 | 175 | -74.6 | -174.7 | 177.6 | -174.9 | 0 | 112.4 | L91 K92 M97 Q98 E99 | L91-K95 PolarHBondContact O-N 3.4Å; K92-K95 PolarHBondContact O-N 3.32Å; K92-K95 VanDerWaalsContact O-N 3.17Å; K95-M97 VanDerWaalsContact C-N 3.32Å; K95-M97 PolarHBondContact O-N 2.97Å; K95-Q98 WeakPolarHBondContact O-CA 3.46Å; K95-Q98 WeakPolarHBondContact O-CB 3.34Å; K95-Q98 PolarHBondContact O-N 3.14Å; K95-Q98 VanDerWaalsContact O-N 3.09Å; K95-E99 PolarHBondContact O-N 3.36Å |
| 96 | E | 97.2 | Very high | 96.4 | Very high | 102 Ų | 102 | 101.9 Ų | 101.9 | 48% | 0.477 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 175.8 | -71.8 | 171.5 | -172.9 | 0 | 0 | 111.6 | K92 Q98 R100 | K92-E96 VanDerWaalsContact CE-OE1 3.26Å; K92-E96 WeakPolarHBondContact CE-OE1 3.4Å; K92-E96 WeakPolarHBondContact O-CG 3.39Å; K92-E96 PolarHBondContact O-N 3.45Å; E96-Q98 VanDerWaalsContact C-N 3.31Å; E96-Q98 PolarHBondContact O-N 3.38Å; E96-R100 VanDerWaalsContact O-CB 3.29Å; E96-R100 WeakPolarHBondContact O-CB 3.49Å; E96-R100 PolarHBondContact O-N 3.48Å |
| 97 | M | 97.5 | Very high | 96.8 | Very high | 106 Ų | 106 | 99.8 Ų | 99.8 | 52% | 0.522 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -35.3 | 174 | -74.3 | -67.5 | -64.2 | 0 | 0 | 112.1 | K93 L94 K95 T101 | K93-M97 VanDerWaalsContact O-CB 3.32Å; K93-M97 WeakPolarHBondContact O-CB 3.43Å; K93-M97 WeakPolarHBondContact O-CG 3.47Å; K93-M97 PolarHBondContact O-N 3.46Å; L94-M97 PolarHBondContact O-N 3.32Å; K95-M97 VanDerWaalsContact C-N 3.32Å; K95-M97 PolarHBondContact O-N 2.97Å; M97-T101 WeakPolarHBondContact O-CB 3.43Å; M97-T101 PolarHBondContact O-N 3.4Å; M97-T101 PolarHBondContact O-OG1 3.5Å |
| 98 | Q | 97.7 | Very high | 97.1 | Very high | 121 Ų | 121 | 100.8 Ų | 100.8 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.8 | -49.1 | 176.2 | -176.1 | 167.9 | -9.5 | 0 | 0 | 111.4 | L94 K95 E96 R100 T101 D102 | L94-Q98 WeakPolarHBondContact O-CB 3.39Å; L94-Q98 PolarHBondContact O-N 3.12Å; K95-Q98 WeakPolarHBondContact O-CA 3.46Å; K95-Q98 WeakPolarHBondContact O-CB 3.34Å; K95-Q98 PolarHBondContact O-N 3.14Å; K95-Q98 VanDerWaalsContact O-N 3.09Å; E96-Q98 VanDerWaalsContact C-N 3.31Å; E96-Q98 PolarHBondContact O-N 3.38Å; Q98-R100 VanDerWaalsContact C-N 3.28Å; Q98-R100 PolarHBondContact O-N 3.3Å; Q98-T101 CarbonylContact O-C 3.58Å; Q98-T101 WeakPolarHBondContact O-CA 3.46Å; Q98-T101 WeakPolarHBondContact O-CB 3.49Å; Q98-T101 PolarHBondContact O-N 3.42Å; Q98-D102 PolarHBondContact O-N 3.32Å |
| 99 | E | 97.6 | Very high | 97.3 | Very high | 140 Ų | 140 | 103 Ų | 103 | 65% | 0.654 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -58.4 | -41 | 174.6 | -72 | 174.6 | -172.2 | 0 | 0 | 111.8 | K95 T101 D102 G103 | K95-E99 PolarHBondContact O-N 3.36Å; E99-T101 VanDerWaalsContact C-N 3.34Å; E99-D102 PolarHBondContact O-N 3.23Å; E99-G103 PolarHBondContact O-N 3.42Å |
| 100 | R | 98.1 | Very high | 97.5 | Very high | 178 Ų | 178 | 106.8 Ų | 106.8 | 67% | 0.672 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 174.1 | -172.8 | 174.1 | -175.1 | 135.7 | 1.7 | 112 | E96 Q98 L104 | E96-R100 VanDerWaalsContact O-CB 3.29Å; E96-R100 WeakPolarHBondContact O-CB 3.49Å; E96-R100 PolarHBondContact O-N 3.48Å; Q98-R100 VanDerWaalsContact C-N 3.28Å; Q98-R100 PolarHBondContact O-N 3.3Å; R100-L104 HydrophobicContact CG-CD1 4.33Å; R100-L104 WeakPolarHBondContact O-CB 3.45Å; R100-L104 VanDerWaalsContact O-CG 3.29Å; R100-L104 WeakPolarHBondContact O-CG 3.27Å; R100-L104 PolarHBondContact O-N 3.31Å |
| 101 | T | 98.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 109.4 Ų | 109.4 | 41% | 0.411 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -44.6 | 176.6 | -61.1 | 0 | 0 | 0 | 0 | 110.7 | M97 Q98 E99 L104 N105 | M97-T101 WeakPolarHBondContact O-CB 3.43Å; M97-T101 PolarHBondContact O-N 3.4Å; M97-T101 PolarHBondContact O-OG1 3.5Å; Q98-T101 CarbonylContact O-C 3.58Å; Q98-T101 WeakPolarHBondContact O-CA 3.46Å; Q98-T101 WeakPolarHBondContact O-CB 3.49Å; Q98-T101 PolarHBondContact O-N 3.42Å; E99-T101 VanDerWaalsContact C-N 3.34Å; T101-L104 PolarHBondContact O-N 3.47Å; T101-N105 WeakPolarHBondContact O-CB 3.44Å; T101-N105 VanDerWaalsContact O-CG 3.23Å; T101-N105 PolarHBondContact O-N 3.01Å; T101-N105 PolarHBondContact O-ND2 3.32Å; T101-N105 VanDerWaalsContact O-ND2 3.15Å |
| 102 | D | 98.1 | Very high | 97.8 | Very high | 79 Ų | 79 | 109.1 Ų | 109.1 | 42% | 0.422 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65 | -41.3 | 177.8 | -66.3 | -21.7 | 0 | 0 | 0 | 111.5 | Q98 E99 N105 L106 | Q98-D102 PolarHBondContact O-N 3.32Å; E99-D102 PolarHBondContact O-N 3.23Å; D102-N105 PolarHBondContact O-N 3.27Å; D102-L106 WeakPolarHBondContact O-CG 3.26Å; D102-L106 PolarHBondContact O-N 3.24Å |
| 103 | G | 98.3 | Very high | 97.9 | Very high | 38 Ų | 38 | 105.3 Ų | 105.3 | 39% | 0.392 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61 | -45 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E99 L106 E107 | E99-G103 PolarHBondContact O-N 3.42Å; G103-L106 PolarHBondContact O-N 3.3Å; G103-E107 PolarHBondContact O-N 3.37Å |
| 104 | L | 98.2 | Very high | 98 | Very high | 87 Ų | 87 | 104 Ų | 104 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 175.2 | -74.2 | 171.6 | 0 | 0 | 0 | 112 | R100 T101 E107 I108 | R100-L104 HydrophobicContact CG-CD1 4.33Å; R100-L104 WeakPolarHBondContact O-CB 3.45Å; R100-L104 VanDerWaalsContact O-CG 3.29Å; R100-L104 WeakPolarHBondContact O-CG 3.27Å; R100-L104 PolarHBondContact O-N 3.31Å; T101-L104 PolarHBondContact O-N 3.47Å; L104-E107 PolarHBondContact O-N 3.28Å; L104-I108 WeakPolarHBondContact O-CB 3.42Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.45Å; L104-I108 PolarHBondContact O-N 2.67Å |
| 105 | N | 98.5 | Very high | 98.1 | Very high | 72 Ų | 72 | 102.5 Ų | 102.5 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 176.2 | -73.5 | -32.7 | 0 | 0 | 0 | 111.9 | T101 D102 E107 I108 H109 | T101-N105 WeakPolarHBondContact O-CB 3.44Å; T101-N105 VanDerWaalsContact O-CG 3.23Å; T101-N105 PolarHBondContact O-N 3.01Å; T101-N105 PolarHBondContact O-ND2 3.32Å; T101-N105 VanDerWaalsContact O-ND2 3.15Å; D102-N105 PolarHBondContact O-N 3.27Å; N105-E107 VanDerWaalsContact C-N 3.33Å; N105-E107 PolarHBondContact O-N 3.07Å; N105-I108 PolarHBondContact O-N 3.03Å; N105-H109 PolarHBondContact O-CD2 2.97Å; N105-H109 VanDerWaalsContact O-CD2 3.23Å; N105-H109 PolarHBondContact O-N 3.48Å |
| 106 | L | 98 | Very high | 98.2 | Very high | 105 Ų | 105 | 99.8 Ų | 99.8 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 174.5 | -73.3 | 173 | 0 | 0 | 0 | 111.9 | D102 G103 H109 R110 | D102-L106 WeakPolarHBondContact O-CG 3.26Å; D102-L106 PolarHBondContact O-N 3.24Å; G103-L106 PolarHBondContact O-N 3.3Å; L106-H109 PolarHBondContact O-N 3.4Å; L106-R110 WeakPolarHBondContact O-CG 3.28Å; L106-R110 PolarHBondContact O-N 3.21Å |
| 107 | E | 98.5 | Very high | 98.3 | Very high | 88 Ų | 88 | 98.9 Ų | 98.9 | 41% | 0.411 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.2 | -42.2 | 175.9 | -166.9 | -174.7 | 161 | 0 | 0 | 111.8 | G103 L104 N105 R110 K111 | G103-E107 PolarHBondContact O-N 3.37Å; L104-E107 PolarHBondContact O-N 3.28Å; N105-E107 VanDerWaalsContact C-N 3.33Å; N105-E107 PolarHBondContact O-N 3.07Å; E107-R110 PolarHBondContact O-N 3.47Å; E107-K111 HydrophobicContact CG-CD 4.27Å; E107-K111 WeakPolarHBondContact O-CB 3.48Å; E107-K111 WeakPolarHBondContact O-CG 3.46Å; E107-K111 PolarHBondContact O-N 3.27Å; E107-K111 VanDerWaalsContact OE1-CE 3.26Å; E107-K111 WeakPolarHBondContact OE1-CE 3.38Å; E107-K111 IonicContact OE1-NZ 2.64Å; E107-K111 PolarHBondContact OE1-NZ 3.43Å |
| 108 | I | 98.4 | Very high | 98.3 | Very high | 80 Ų | 80 | 98 Ų | 98 | 41% | 0.41 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.5 | -51.3 | 173.6 | -73.3 | 166.2 | 0 | 0 | 0 | 109.7 | L104 N105 R110 K111 E112 | L104-I108 WeakPolarHBondContact O-CB 3.42Å; L104-I108 VanDerWaalsContact O-CG1 3.25Å; L104-I108 WeakPolarHBondContact O-CG1 3.45Å; L104-I108 PolarHBondContact O-N 2.67Å; N105-I108 PolarHBondContact O-N 3.03Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.25Å; I108-K111 CarbonylContact O-C 3.57Å; I108-K111 PolarHBondContact O-N 2.95Å; I108-K111 VanDerWaalsContact O-N 3.09Å; I108-E112 HydrophobicContact CG2-CG 4.14Å; I108-E112 WeakPolarHBondContact CG2-OE1 3.2Å; I108-E112 WeakPolarHBondContact O-CB 3.46Å; I108-E112 VanDerWaalsContact O-CG 3.3Å; I108-E112 WeakPolarHBondContact O-CG 3.3Å; I108-E112 PolarHBondContact O-N 3.28Å |
| 109 | H | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 97.3 Ų | 97.3 | 54% | 0.537 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -39.3 | 178.8 | -72.5 | -40.6 | 0 | 0 | 0 | 113.4 | N105 L106 K111 E112 A113 | N105-H109 PolarHBondContact O-CD2 2.97Å; N105-H109 VanDerWaalsContact O-CD2 3.23Å; N105-H109 PolarHBondContact O-N 3.48Å; L106-H109 PolarHBondContact O-N 3.4Å; H109-K111 VanDerWaalsContact C-N 3.35Å; H109-E112 IonicContact CE1-OE2 3.81Å; H109-E112 IonicContact CG-OE2 3.97Å; H109-E112 IonicContact ND1-OE2 2.97Å; H109-E112 PolarHBondContact ND1-OE2 3.45Å; H109-E112 PolarHBondContact O-N 3.34Å; H109-A113 WeakPolarHBondContact O-CB 3.21Å; H109-A113 PolarHBondContact O-N 3.2Å |
| 110 | R | 98.5 | Very high | 98.4 | Very high | 188 Ų | 188 | 95.4 Ų | 95.4 | 71% | 0.709 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 173.8 | -74.4 | 174.7 | -179.1 | 180 | 1.7 | 111.4 | L106 E107 I108 H114 | L106-R110 WeakPolarHBondContact O-CG 3.28Å; L106-R110 PolarHBondContact O-N 3.21Å; E107-R110 PolarHBondContact O-N 3.47Å; I108-R110 VanDerWaalsContact C-N 3.34Å; I108-R110 PolarHBondContact O-N 3.25Å; R110-H114 WeakPolarHBondContact O-CB 3.34Å; R110-H114 PolarHBondContact O-N 3.48Å |
| 111 | K | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 93 Ų | 93 | 50% | 0.504 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 176.7 | -76.2 | 174.9 | 169 | 168.6 | 0 | 111.5 | E107 I108 H109 H114 I115 | E107-K111 HydrophobicContact CG-CD 4.27Å; E107-K111 WeakPolarHBondContact O-CB 3.48Å; E107-K111 WeakPolarHBondContact O-CG 3.46Å; E107-K111 PolarHBondContact O-N 3.27Å; E107-K111 VanDerWaalsContact OE1-CE 3.26Å; E107-K111 WeakPolarHBondContact OE1-CE 3.38Å; E107-K111 IonicContact OE1-NZ 2.64Å; E107-K111 PolarHBondContact OE1-NZ 3.43Å; I108-K111 CarbonylContact O-C 3.57Å; I108-K111 PolarHBondContact O-N 2.95Å; I108-K111 VanDerWaalsContact O-N 3.09Å; H109-K111 VanDerWaalsContact C-N 3.35Å; K111-H114 PolarHBondContact O-N 3.39Å; K111-I115 WeakPolarHBondContact O-CB 3.45Å; K111-I115 WeakPolarHBondContact O-CD1 3.34Å; K111-I115 WeakPolarHBondContact O-CG1 3.46Å; K111-I115 PolarHBondContact O-N 3.45Å |
| 112 | E | 98.6 | Very high | 98.5 | Very high | 94 Ų | 94 | 94.5 Ų | 94.5 | 44% | 0.439 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 175.3 | -73.6 | 171.3 | 162.3 | 0 | 0 | 111.6 | I108 H109 H114 I115 S116 | I108-E112 HydrophobicContact CG2-CG 4.14Å; I108-E112 WeakPolarHBondContact CG2-OE1 3.2Å; I108-E112 WeakPolarHBondContact O-CB 3.46Å; I108-E112 VanDerWaalsContact O-CG 3.3Å; I108-E112 WeakPolarHBondContact O-CG 3.3Å; I108-E112 PolarHBondContact O-N 3.28Å; H109-E112 IonicContact CE1-OE2 3.81Å; H109-E112 IonicContact CG-OE2 3.97Å; H109-E112 IonicContact ND1-OE2 2.97Å; H109-E112 PolarHBondContact ND1-OE2 3.45Å; H109-E112 PolarHBondContact O-N 3.34Å; E112-H114 PolarHBondContact O-N 3.23Å; E112-I115 PolarHBondContact O-N 2.99Å; E112-S116 WeakPolarHBondContact O-CB 3.28Å; E112-S116 PolarHBondContact O-N 3.27Å; E112-S116 PolarHBondContact O-OG 3.03Å |
| 113 | A | 98.5 | Very high | 98.5 | Very high | 53 Ų | 53 | 94.6 Ų | 94.6 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | H109 S116 I117 | H109-A113 WeakPolarHBondContact O-CB 3.21Å; H109-A113 PolarHBondContact O-N 3.2Å; A113-S116 WeakPolarHBondContact O-CB 3.37Å; A113-S116 PolarHBondContact O-N 3.39Å; A113-I117 WeakPolarHBondContact O-CG1 3.13Å; A113-I117 PolarHBondContact O-N 3.42Å |
| 114 | H | 98.7 | Very high | 98.5 | Very high | 113 Ų | 113 | 99.8 Ų | 99.8 | 52% | 0.523 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 176 | -173.9 | -103.1 | 0 | 0 | 0 | 112.4 | R110 K111 E112 S116 I117 L118 | R110-H114 WeakPolarHBondContact O-CB 3.34Å; R110-H114 PolarHBondContact O-N 3.48Å; K111-H114 PolarHBondContact O-N 3.39Å; E112-H114 PolarHBondContact O-N 3.23Å; H114-S116 VanDerWaalsContact C-N 3.28Å; H114-S116 PolarHBondContact O-N 3.41Å; H114-I117 PolarHBondContact O-N 3.08Å; H114-L118 VanDerWaalsContact CE1-CD1 3.5Å; H114-L118 WeakPolarHBondContact CE1-CD1 3.36Å; H114-L118 WeakPolarHBondContact O-CG 3.25Å; H114-L118 PolarHBondContact O-N 3.2Å |
| 115 | I | 98.5 | Very high | 98.5 | Very high | 86 Ų | 86 | 99.7 Ų | 99.7 | 44% | 0.441 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 173.5 | -72.4 | 165.1 | 0 | 0 | 0 | 110.2 | K111 E112 I117 L118 Q119 | K111-I115 WeakPolarHBondContact O-CB 3.45Å; K111-I115 WeakPolarHBondContact O-CD1 3.34Å; K111-I115 WeakPolarHBondContact O-CG1 3.46Å; K111-I115 PolarHBondContact O-N 3.45Å; E112-I115 PolarHBondContact O-N 2.99Å; I115-I117 PolarHBondContact O-N 3.12Å; I115-L118 PolarHBondContact O-N 3.23Å; I115-Q119 HydrophobicContact CG2-CG 4.32Å; I115-Q119 WeakPolarHBondContact O-CB 3.27Å; I115-Q119 VanDerWaalsContact O-CG 3.3Å; I115-Q119 WeakPolarHBondContact O-CG 3.31Å; I115-Q119 PolarHBondContact O-N 3.22Å |
| 116 | S | 98.7 | Very high | 98.5 | Very high | 66 Ų | 66 | 99.8 Ų | 99.8 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 179.4 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | E112 A113 H114 Q119 Q120 | E112-S116 WeakPolarHBondContact O-CB 3.28Å; E112-S116 PolarHBondContact O-N 3.27Å; E112-S116 PolarHBondContact O-OG 3.03Å; A113-S116 WeakPolarHBondContact O-CB 3.37Å; A113-S116 PolarHBondContact O-N 3.39Å; H114-S116 VanDerWaalsContact C-N 3.28Å; H114-S116 PolarHBondContact O-N 3.41Å; S116-Q119 PolarHBondContact O-N 3.35Å; S116-Q120 PolarHBondContact O-N 2.95Å |
| 117 | I | 98.5 | Very high | 98.6 | Very high | 83 Ų | 83 | 99.9 Ų | 99.9 | 43% | 0.426 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 174.6 | -67.4 | 165.8 | 0 | 0 | 0 | 111 | A113 H114 I115 Q120 K121 | A113-I117 WeakPolarHBondContact O-CG1 3.13Å; A113-I117 PolarHBondContact O-N 3.42Å; H114-I117 PolarHBondContact O-N 3.08Å; I115-I117 PolarHBondContact O-N 3.12Å; I117-Q120 PolarHBondContact O-N 3.07Å; I117-K121 HydrophobicContact CG2-CD 4.43Å; I117-K121 WeakPolarHBondContact O-CG 3.38Å; I117-K121 PolarHBondContact O-N 3.44Å |
| 118 | L | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 98.8 Ų | 98.8 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 178.1 | -72.6 | 178.9 | 0 | 0 | 0 | 112 | H114 I115 Q120 K121 L122 | H114-L118 VanDerWaalsContact CE1-CD1 3.5Å; H114-L118 WeakPolarHBondContact CE1-CD1 3.36Å; H114-L118 WeakPolarHBondContact O-CG 3.25Å; H114-L118 PolarHBondContact O-N 3.2Å; I115-L118 PolarHBondContact O-N 3.23Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.09Å; L118-K121 PolarHBondContact O-N 3.29Å; L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 PolarHBondContact O-N 3.32Å |
| 119 | Q | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 99.8 Ų | 99.8 | 50% | 0.5 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 173.9 | -74.5 | 172.3 | -20.6 | 0 | 0 | 111.3 | I115 S116 K121 L122 N123 | I115-Q119 HydrophobicContact CG2-CG 4.32Å; I115-Q119 WeakPolarHBondContact O-CB 3.27Å; I115-Q119 VanDerWaalsContact O-CG 3.3Å; I115-Q119 WeakPolarHBondContact O-CG 3.31Å; I115-Q119 PolarHBondContact O-N 3.22Å; S116-Q119 PolarHBondContact O-N 3.35Å; Q119-K121 PolarHBondContact O-N 3.43Å; Q119-L122 PolarHBondContact O-N 3.49Å; Q119-N123 WeakPolarHBondContact O-CB 3.44Å; Q119-N123 PolarHBondContact O-N 3.34Å; Q119-N123 PolarHBondContact O-ND2 3.2Å; Q119-N123 PolarHBondContact O-OD1 3.07Å |
| 120 | Q | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 101.3 Ų | 101.3 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -42 | 175.2 | -171.1 | -177.9 | 32.6 | 0 | 0 | 112.1 | S116 I117 L118 N123 R124 | S116-Q120 PolarHBondContact O-N 2.95Å; I117-Q120 PolarHBondContact O-N 3.07Å; L118-Q120 VanDerWaalsContact C-N 3.34Å; L118-Q120 PolarHBondContact O-N 3.09Å; Q120-N123 PolarHBondContact O-N 3.03Å; Q120-R124 WeakPolarHBondContact O-CG 3.29Å; Q120-R124 PolarHBondContact O-N 3Å |
| 121 | K | 98.6 | Very high | 98.6 | Very high | 129 Ų | 129 | 99 Ų | 99 | 56% | 0.561 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.6 | -42.6 | 176.2 | -74.3 | -179.1 | 178.8 | -177.6 | 0 | 112.1 | I117 L118 Q119 R124 C125 | I117-K121 HydrophobicContact CG2-CD 4.43Å; I117-K121 WeakPolarHBondContact O-CG 3.38Å; I117-K121 PolarHBondContact O-N 3.44Å; L118-K121 PolarHBondContact O-N 3.29Å; Q119-K121 PolarHBondContact O-N 3.43Å; K121-R124 PolarHBondContact O-N 2.93Å; K121-C125 WeakPolarHBondContact O-CB 3.41Å; K121-C125 PolarHBondContact O-N 3.28Å |
| 122 | L | 98.5 | Very high | 98.6 | Very high | 98 Ų | 98 | 96.4 Ų | 96.4 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.4 | -50.5 | 175.7 | 179.3 | 65.3 | 0 | 0 | 0 | 110.4 | L118 Q119 R124 C125 E126 | L118-L122 WeakPolarHBondContact O-CB 3.3Å; L118-L122 PolarHBondContact O-N 3.32Å; Q119-L122 PolarHBondContact O-N 3.49Å; L122-R124 PolarHBondContact O-N 3.46Å; L122-C125 WeakPolarHBondContact O-CB 3.43Å; L122-C125 PolarHBondContact O-N 3.06Å; L122-E126 HydrophobicContact CD1-CG 4.48Å; L122-E126 WeakPolarHBondContact O-CG 3.2Å; L122-E126 PolarHBondContact O-N 3.38Å |
| 123 | N | 98.6 | Very high | 98.6 | Very high | 81 Ų | 81 | 96.4 Ų | 96.4 | 43% | 0.433 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 179.3 | -67.5 | -9.8 | 0 | 0 | 0 | 112.1 | Q119 Q120 C125 E126 E127 | Q119-N123 WeakPolarHBondContact O-CB 3.44Å; Q119-N123 PolarHBondContact O-N 3.34Å; Q119-N123 PolarHBondContact O-ND2 3.2Å; Q119-N123 PolarHBondContact O-OD1 3.07Å; Q120-N123 PolarHBondContact O-N 3.03Å; N123-C125 VanDerWaalsContact C-N 3.31Å; N123-C125 PolarHBondContact O-N 3.19Å; N123-E126 PolarHBondContact O-N 2.98Å; N123-E127 WeakPolarHBondContact O-CB 3.35Å; N123-E127 VanDerWaalsContact O-CG 3.32Å; N123-E127 WeakPolarHBondContact O-CG 3.39Å; N123-E127 PolarHBondContact O-N 3.33Å |
| 124 | R | 98.6 | Very high | 98.6 | Very high | 147 Ų | 147 | 98.5 Ų | 98.5 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.6 | -38.9 | 175.3 | -72.9 | 177.8 | -175.5 | 175.7 | 3.5 | 112.5 | Q120 K121 L122 S128 | Q120-R124 WeakPolarHBondContact O-CG 3.29Å; Q120-R124 PolarHBondContact O-N 3Å; K121-R124 PolarHBondContact O-N 2.93Å; L122-R124 PolarHBondContact O-N 3.46Å; R124-S128 WeakPolarHBondContact O-CB 2.99Å; R124-S128 PolarHBondContact O-N 3.35Å |
| 125 | C | 98.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 100.3 Ų | 100.3 | 57% | 0.574 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.3 | -41.6 | 177.4 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | K121 L122 N123 S128 L129 | K121-C125 WeakPolarHBondContact O-CB 3.41Å; K121-C125 PolarHBondContact O-N 3.28Å; L122-C125 WeakPolarHBondContact O-CB 3.43Å; L122-C125 PolarHBondContact O-N 3.06Å; N123-C125 VanDerWaalsContact C-N 3.31Å; N123-C125 PolarHBondContact O-N 3.19Å; C125-S128 PolarHBondContact O-N 2.94Å; C125-L129 WeakPolarHBondContact O-CB 3.19Å; C125-L129 PolarHBondContact O-N 3.2Å |
| 126 | E | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 101.3 Ų | 101.3 | 34% | 0.341 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 174 | -71.2 | -174.5 | -176.6 | 0 | 0 | 112.6 | L122 N123 L129 R130 | L122-E126 HydrophobicContact CD1-CG 4.48Å; L122-E126 WeakPolarHBondContact O-CG 3.2Å; L122-E126 PolarHBondContact O-N 3.38Å; N123-E126 PolarHBondContact O-N 2.98Å; E126-L129 PolarHBondContact O-N 2.96Å; E126-R130 WeakPolarHBondContact O-CB 3.37Å; E126-R130 VanDerWaalsContact O-CG 3.3Å; E126-R130 WeakPolarHBondContact O-CG 3.36Å; E126-R130 PolarHBondContact O-N 2.87Å; E126-R130 IonicContact OE2-CZ 3.91Å; E126-R130 IonicContact OE2-NH1 2.65Å; E126-R130 IonicContact OE2-NH2 2.85Å; E126-R130 PolarHBondContact OE2-NH2 3.04Å |
| 127 | E | 98.6 | Very high | 98.6 | Very high | 107 Ų | 107 | 102.3 Ų | 102.3 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -49.5 | 174.7 | -75.6 | 167.1 | -175.4 | 0 | 0 | 111.1 | N123 L129 R130 E131 | N123-E127 WeakPolarHBondContact O-CB 3.35Å; N123-E127 VanDerWaalsContact O-CG 3.32Å; N123-E127 WeakPolarHBondContact O-CG 3.39Å; N123-E127 PolarHBondContact O-N 3.33Å; E127-L129 VanDerWaalsContact C-N 3.32Å; E127-L129 PolarHBondContact O-N 2.95Å; E127-R130 PolarHBondContact O-N 2.89Å; E127-R130 VanDerWaalsContact O-N 3.14Å; E127-E131 WeakPolarHBondContact O-CG 3.35Å; E127-E131 PolarHBondContact O-N 2.81Å |
| 128 | S | 98.7 | Very high | 98.6 | Very high | 66 Ų | 66 | 104.5 Ų | 104.5 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 176.7 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | R124 C125 E131 T132 | R124-S128 WeakPolarHBondContact O-CB 2.99Å; R124-S128 PolarHBondContact O-N 3.35Å; C125-S128 PolarHBondContact O-N 2.94Å; S128-E131 PolarHBondContact O-N 3.47Å; S128-T132 WeakPolarHBondContact O-CG2 3.38Å; S128-T132 PolarHBondContact O-N 3.45Å; S128-T132 PolarHBondContact O-OG1 3.07Å |
| 129 | L | 98.5 | Very high | 98.6 | Very high | 100 Ų | 100 | 104.4 Ų | 104.4 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.4 | -41.9 | 174.2 | -177.7 | 61.9 | 0 | 0 | 0 | 111.6 | C125 E126 E127 T132 L133 | C125-L129 WeakPolarHBondContact O-CB 3.19Å; C125-L129 PolarHBondContact O-N 3.2Å; E126-L129 PolarHBondContact O-N 2.96Å; E127-L129 VanDerWaalsContact C-N 3.32Å; E127-L129 PolarHBondContact O-N 2.95Å; L129-T132 WeakPolarHBondContact CA-OG1 3.35Å; L129-T132 PolarHBondContact O-N 3.32Å; L129-T132 PolarHBondContact O-OG1 3.03Å; L129-L133 HydrophobicContact CD1-CD1 4.32Å; L129-L133 HydrophobicContact CD1-CG 4.33Å; L129-L133 HydrophobicContact CG-CD1 4.1Å; L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.32Å; L129-L133 PolarHBondContact O-N 3.41Å |
| 130 | R | 98.6 | Very high | 98.6 | Very high | 149 Ų | 149 | 105.7 Ų | 105.7 | 56% | 0.562 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.3 | -41.9 | 175.9 | -74 | 176.8 | -165.6 | 119.4 | 10.3 | 111.8 | E126 E127 L134 | E126-R130 WeakPolarHBondContact O-CB 3.37Å; E126-R130 VanDerWaalsContact O-CG 3.3Å; E126-R130 WeakPolarHBondContact O-CG 3.36Å; E126-R130 PolarHBondContact O-N 2.87Å; E126-R130 IonicContact OE2-CZ 3.91Å; E126-R130 IonicContact OE2-NH1 2.65Å; E126-R130 IonicContact OE2-NH2 2.85Å; E126-R130 PolarHBondContact OE2-NH2 3.04Å; E127-R130 PolarHBondContact O-N 2.89Å; E127-R130 VanDerWaalsContact O-N 3.14Å; R130-L134 WeakPolarHBondContact O-CB 3.25Å; R130-L134 PolarHBondContact O-N 3.47Å |
| 131 | E | 98.6 | Very high | 98.6 | Very high | 139 Ų | 139 | 105.6 Ų | 105.6 | 65% | 0.65 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.8 | -44.6 | 177.9 | -73.5 | 177.9 | 176.1 | 0 | 0 | 112.5 | E127 S128 L134 Y135 | E127-E131 WeakPolarHBondContact O-CG 3.35Å; E127-E131 PolarHBondContact O-N 2.81Å; S128-E131 PolarHBondContact O-N 3.47Å; E131-L134 PolarHBondContact O-N 3.36Å; E131-Y135 PolarHBondContact O-N 3.04Å |
| 132 | T | 98.6 | Very high | 98.6 | Very high | 61 Ų | 61 | 103 Ų | 103 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 177.8 | 48.2 | 0 | 0 | 0 | 0 | 112.1 | S128 L129 Y135 H136 | S128-T132 WeakPolarHBondContact O-CG2 3.38Å; S128-T132 PolarHBondContact O-N 3.45Å; S128-T132 PolarHBondContact O-OG1 3.07Å; L129-T132 WeakPolarHBondContact CA-OG1 3.35Å; L129-T132 PolarHBondContact O-N 3.32Å; L129-T132 PolarHBondContact O-OG1 3.03Å; T132-Y135 PolarHBondContact O-N 3.43Å; T132-H136 PolarHBondContact O-CD2 3.49Å; T132-H136 PolarHBondContact O-N 3.05Å |
| 133 | L | 98.6 | Very high | 98.6 | Very high | 94 Ų | 94 | 102.7 Ų | 102.7 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -45.7 | 172.8 | -73.6 | 172.1 | 0 | 0 | 0 | 111.6 | L129 Y135 H136 D137 | L129-L133 HydrophobicContact CD1-CD1 4.32Å; L129-L133 HydrophobicContact CD1-CG 4.33Å; L129-L133 HydrophobicContact CG-CD1 4.1Å; L129-L133 WeakPolarHBondContact O-CB 3.3Å; L129-L133 VanDerWaalsContact O-CG 3.24Å; L129-L133 WeakPolarHBondContact O-CG 3.32Å; L129-L133 PolarHBondContact O-N 3.41Å; L133-Y135 VanDerWaalsContact C-N 3.32Å; L133-Y135 PolarHBondContact O-N 3.19Å; L133-H136 PolarHBondContact O-N 3.35Å; L133-D137 PolarHBondContact O-N 3.36Å |
| 134 | L | 98.3 | Very high | 98.6 | Very high | 97 Ų | 97 | 102 Ų | 102 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.9 | -37.1 | 177.2 | -177.6 | 65.3 | 0 | 0 | 0 | 112.6 | R130 E131 K138 | R130-L134 WeakPolarHBondContact O-CB 3.25Å; R130-L134 PolarHBondContact O-N 3.47Å; E131-L134 PolarHBondContact O-N 3.36Å; L134-K138 WeakPolarHBondContact O-CG 3.24Å; L134-K138 PolarHBondContact O-N 3.1Å |
| 135 | Y | 98.5 | Very high | 98.6 | Very high | 151 Ų | 151 | 102 Ų | 102 | 59% | 0.592 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.3 | -46.8 | 174.8 | 179.2 | -95 | 0 | 0 | 0 | 111.5 | E131 T132 L133 D137 K138 E139 | E131-Y135 PolarHBondContact O-N 3.04Å; T132-Y135 PolarHBondContact O-N 3.43Å; L133-Y135 VanDerWaalsContact C-N 3.32Å; L133-Y135 PolarHBondContact O-N 3.19Å; Y135-D137 VanDerWaalsContact C-N 3.35Å; Y135-D137 PolarHBondContact O-N 2.83Å; Y135-K138 PolarHBondContact O-N 3.45Å; Y135-E139 WeakPolarHBondContact O-CB 3.03Å; Y135-E139 PolarHBondContact O-N 2.95Å |
| 136 | H | 98.5 | Very high | 98.6 | Very high | 107 Ų | 107 | 102.2 Ų | 102.2 | 50% | 0.495 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 177.2 | -76.6 | -51.3 | 0 | 0 | 0 | 112.9 | T132 L133 E139 K140 | T132-H136 PolarHBondContact O-CD2 3.49Å; T132-H136 PolarHBondContact O-N 3.05Å; L133-H136 PolarHBondContact O-N 3.35Å; H136-E139 IonicContact ND1-OE2 3.83Å; H136-E139 PolarHBondContact ND1-OE2 3.21Å; H136-E139 PolarHBondContact O-N 3.31Å; H136-K140 VanDerWaalsContact O-CB 3.26Å; H136-K140 WeakPolarHBondContact O-CB 3.48Å; H136-K140 PolarHBondContact O-N 3.23Å |
| 137 | D | 98.6 | Very high | 98.6 | Very high | 87 Ų | 87 | 102 Ų | 102 | 47% | 0.465 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 175.2 | -76 | -25.7 | 0 | 0 | 0 | 111.3 | L133 Y135 K140 D141 | L133-D137 PolarHBondContact O-N 3.36Å; Y135-D137 VanDerWaalsContact C-N 3.35Å; Y135-D137 PolarHBondContact O-N 2.83Å; D137-K140 PolarHBondContact O-N 2.96Å; D137-D141 WeakPolarHBondContact O-CB 2.93Å; D137-D141 PolarHBondContact O-N 3.45Å |
| 138 | K | 98.6 | Very high | 98.6 | Very high | 129 Ų | 129 | 102 Ų | 102 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -63.2 | -42.2 | 174.9 | -72.4 | 173.4 | -178.7 | 177.2 | 0 | 112.7 | L134 Y135 D141 E142 | L134-K138 WeakPolarHBondContact O-CG 3.24Å; L134-K138 PolarHBondContact O-N 3.1Å; Y135-K138 PolarHBondContact O-N 3.45Å; K138-D141 PolarHBondContact O-N 3.21Å; K138-E142 WeakPolarHBondContact O-CB 3.44Å; K138-E142 PolarHBondContact O-N 2.86Å |
| 139 | E | 98.6 | Very high | 98.6 | Very high | 86 Ų | 86 | 102.7 Ų | 102.7 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.4 | -44.9 | 176.7 | -177.4 | 179.8 | -158.5 | 0 | 0 | 111 | Y135 H136 D141 E142 L143 | Y135-E139 WeakPolarHBondContact O-CB 3.03Å; Y135-E139 PolarHBondContact O-N 2.95Å; H136-E139 IonicContact ND1-OE2 3.83Å; H136-E139 PolarHBondContact ND1-OE2 3.21Å; H136-E139 PolarHBondContact O-N 3.31Å; E139-D141 VanDerWaalsContact C-N 3.34Å; E139-D141 PolarHBondContact O-N 3.09Å; E139-E142 PolarHBondContact O-N 3.46Å; E139-L143 HydrophobicContact CG-CD1 4.23Å; E139-L143 WeakPolarHBondContact O-CG 3.5Å; E139-L143 PolarHBondContact O-N 3.08Å |
| 140 | K | 98.6 | Very high | 98.6 | Very high | 133 Ų | 133 | 103.1 Ų | 103.1 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.2 | -42.4 | 175.2 | -179.2 | -174.5 | 172.4 | -170.7 | 0 | 111.9 | H136 D137 T144 | H136-K140 VanDerWaalsContact O-CB 3.26Å; H136-K140 WeakPolarHBondContact O-CB 3.48Å; H136-K140 PolarHBondContact O-N 3.23Å; D137-K140 PolarHBondContact O-N 2.96Å; K140-T144 VanDerWaalsContact O-CB 3.31Å; K140-T144 WeakPolarHBondContact O-CB 3.49Å; K140-T144 PolarHBondContact O-N 3.25Å; K140-T144 PolarHBondContact O-OG1 3.46Å |
| 141 | D | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 102.9 Ų | 102.9 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -39.2 | 177.1 | -75.8 | -15.1 | 0 | 0 | 0 | 112.2 | D137 K138 E139 T144 R145 | D137-D141 WeakPolarHBondContact O-CB 2.93Å; D137-D141 PolarHBondContact O-N 3.45Å; K138-D141 PolarHBondContact O-N 3.21Å; E139-D141 VanDerWaalsContact C-N 3.34Å; E139-D141 PolarHBondContact O-N 3.09Å; D141-T144 PolarHBondContact O-N 2.75Å; D141-R145 WeakPolarHBondContact O-CG 3.25Å; D141-R145 PolarHBondContact O-N 3.22Å |
| 142 | E | 98.6 | Very high | 98.6 | Very high | 73 Ų | 73 | 97.7 Ų | 97.7 | 34% | 0.341 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -49 | 174 | 179.8 | 60.3 | -139.8 | 0 | 0 | 111.6 | K138 E139 T144 R145 Q146 | K138-E142 WeakPolarHBondContact O-CB 3.44Å; K138-E142 PolarHBondContact O-N 2.86Å; E139-E142 PolarHBondContact O-N 3.46Å; E142-T144 VanDerWaalsContact C-N 3.27Å; E142-T144 PolarHBondContact O-N 3.5Å; E142-R145 PolarHBondContact O-N 2.85Å; E142-R145 VanDerWaalsContact O-N 3.15Å; E142-R145 IonicContact OE2-CZ 2.71Å; E142-R145 IonicContact OE2-NE 3.97Å; E142-R145 IonicContact OE2-NH1 2.77Å; E142-R145 PolarHBondContact OE2-NH1 3.28Å; E142-R145 IonicContact OE2-NH2 3.75Å; E142-R145 PolarHBondContact OE2-NH2 3.2Å; E142-Q146 WeakPolarHBondContact O-CG 3.49Å; E142-Q146 PolarHBondContact O-N 3.02Å; E142-Q146 PolarHBondContact OE1-NE2 3.48Å |
| 143 | L | 98.6 | Very high | 98.6 | Very high | 93 Ų | 93 | 100 Ų | 100 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 176.7 | -70.8 | 174.7 | 0 | 0 | 0 | 112.3 | E139 S147 | E139-L143 HydrophobicContact CG-CD1 4.23Å; E139-L143 WeakPolarHBondContact O-CG 3.5Å; E139-L143 PolarHBondContact O-N 3.08Å; L143-S147 WeakPolarHBondContact O-CB 3.2Å; L143-S147 PolarHBondContact O-N 3.47Å; L143-S147 PolarHBondContact O-OG 3.16Å |
| 144 | T | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 102.9 Ų | 102.9 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 174.6 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | K140 D141 E142 S147 I148 | K140-T144 VanDerWaalsContact O-CB 3.31Å; K140-T144 WeakPolarHBondContact O-CB 3.49Å; K140-T144 PolarHBondContact O-N 3.25Å; K140-T144 PolarHBondContact O-OG1 3.46Å; D141-T144 PolarHBondContact O-N 2.75Å; E142-T144 VanDerWaalsContact C-N 3.27Å; E142-T144 PolarHBondContact O-N 3.5Å; T144-S147 PolarHBondContact O-N 2.83Å; T144-I148 HydrophobicContact CG2-CD1 4.14Å; T144-I148 WeakPolarHBondContact O-CG1 3.33Å; T144-I148 PolarHBondContact O-N 3.36Å |
| 145 | R | 98.6 | Very high | 98.6 | Very high | 147 Ų | 147 | 102.1 Ų | 102.1 | 56% | 0.555 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.1 | -47.3 | 174.8 | -78.3 | -172.9 | -72.7 | 138.5 | -3.9 | 111.9 | D141 E142 S147 I148 T149 | D141-R145 WeakPolarHBondContact O-CG 3.25Å; D141-R145 PolarHBondContact O-N 3.22Å; E142-R145 PolarHBondContact O-N 2.85Å; E142-R145 VanDerWaalsContact O-N 3.15Å; E142-R145 IonicContact OE2-CZ 2.71Å; E142-R145 IonicContact OE2-NE 3.97Å; E142-R145 IonicContact OE2-NH1 2.77Å; E142-R145 PolarHBondContact OE2-NH1 3.28Å; E142-R145 IonicContact OE2-NH2 3.75Å; E142-R145 PolarHBondContact OE2-NH2 3.2Å; R145-S147 VanDerWaalsContact C-N 3.32Å; R145-S147 PolarHBondContact O-N 3.34Å; R145-I148 PolarHBondContact O-N 3.01Å; R145-I148 VanDerWaalsContact O-N 3.17Å; R145-T149 PolarHBondContact O-N 2.97Å; R145-T149 PolarHBondContact O-OG1 3.47Å |
| 146 | Q | 98.6 | Very high | 98.6 | Very high | 90 Ų | 90 | 100 Ų | 100 | 42% | 0.421 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.8 | -42.1 | 176.9 | -69.5 | 177 | 13.6 | 0 | 0 | 112.1 | E142 I148 T149 L150 | E142-Q146 WeakPolarHBondContact O-CG 3.49Å; E142-Q146 PolarHBondContact O-N 3.02Å; E142-Q146 PolarHBondContact OE1-NE2 3.48Å; Q146-I148 VanDerWaalsContact C-N 3.3Å; Q146-I148 PolarHBondContact O-N 2.82Å; Q146-T149 PolarHBondContact O-N 2.92Å; Q146-L150 WeakPolarHBondContact O-CB 3.43Å; Q146-L150 WeakPolarHBondContact O-CG 3.35Å; Q146-L150 PolarHBondContact O-N 3.17Å |
| 147 | S | 98.7 | Very high | 98.6 | Very high | 68 Ų | 68 | 97.4 Ų | 97.4 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 177 | -63.6 | 0 | 0 | 0 | 0 | 112.9 | L143 T144 R145 R151 | L143-S147 WeakPolarHBondContact O-CB 3.2Å; L143-S147 PolarHBondContact O-N 3.47Å; L143-S147 PolarHBondContact O-OG 3.16Å; T144-S147 PolarHBondContact O-N 2.83Å; R145-S147 VanDerWaalsContact C-N 3.32Å; R145-S147 PolarHBondContact O-N 3.34Å; S147-R151 VanDerWaalsContact O-CB 3.27Å; S147-R151 WeakPolarHBondContact O-CB 3.28Å; S147-R151 PolarHBondContact O-N 3.06Å; S147-R151 VanDerWaalsContact O-N 3.16Å |
| 148 | I | 98.7 | Very high | 98.6 | Very high | 107 Ų | 107 | 97.4 Ų | 97.4 | 55% | 0.549 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.5 | -45.5 | 175.3 | -67.7 | 165.6 | 0 | 0 | 0 | 110.4 | T144 R145 Q146 R151 G152 | T144-I148 HydrophobicContact CG2-CD1 4.14Å; T144-I148 WeakPolarHBondContact O-CG1 3.33Å; T144-I148 PolarHBondContact O-N 3.36Å; R145-I148 PolarHBondContact O-N 3.01Å; R145-I148 VanDerWaalsContact O-N 3.17Å; Q146-I148 VanDerWaalsContact C-N 3.3Å; Q146-I148 PolarHBondContact O-N 2.82Å; I148-R151 WeakPolarHBondContact O-CB 3.33Å; I148-R151 PolarHBondContact O-N 3.37Å; I148-G152 PolarHBondContact O-N 3.48Å |
| 149 | T | 98.6 | Very high | 98.6 | Very high | 80 Ų | 80 | 98.4 Ų | 98.4 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -52 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | R145 Q146 R151 G152 E153 | R145-T149 PolarHBondContact O-N 2.97Å; R145-T149 PolarHBondContact O-OG1 3.47Å; Q146-T149 PolarHBondContact O-N 2.92Å; T149-R151 VanDerWaalsContact C-N 3.25Å; T149-R151 PolarHBondContact O-N 2.9Å; T149-G152 WeakPolarHBondContact O-CA 3.36Å; T149-G152 PolarHBondContact O-N 3.49Å; T149-E153 WeakPolarHBondContact O-CG 3.38Å; T149-E153 PolarHBondContact O-N 2.73Å |
| 150 | L | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 99.7 Ų | 99.7 | 57% | 0.571 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.6 | -35.3 | 178.5 | -72.7 | 172.3 | 0 | 0 | 0 | 112.3 | Q146 R154 | Q146-L150 WeakPolarHBondContact O-CB 3.43Å; Q146-L150 WeakPolarHBondContact O-CG 3.35Å; Q146-L150 PolarHBondContact O-N 3.17Å; L150-R154 VanDerWaalsContact O-CB 3.29Å; L150-R154 WeakPolarHBondContact O-CB 3.43Å; L150-R154 PolarHBondContact O-N 3.22Å |
| 151 | R | 98.6 | Very high | 98.6 | Very high | 144 Ų | 144 | 97.1 Ų | 97.1 | 54% | 0.543 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 173.9 | -174.8 | -175.7 | -57.3 | -171.2 | 1.7 | 111.3 | S147 I148 T149 R154 E155 | S147-R151 VanDerWaalsContact O-CB 3.27Å; S147-R151 WeakPolarHBondContact O-CB 3.28Å; S147-R151 PolarHBondContact O-N 3.06Å; S147-R151 VanDerWaalsContact O-N 3.16Å; I148-R151 WeakPolarHBondContact O-CB 3.33Å; I148-R151 PolarHBondContact O-N 3.37Å; T149-R151 VanDerWaalsContact C-N 3.25Å; T149-R151 PolarHBondContact O-N 2.9Å; R151-R154 PolarHBondContact O-N 3.38Å; R151-E155 WeakPolarHBondContact O-CG 3.28Å; R151-E155 PolarHBondContact O-N 2.8Å |
| 152 | G | 98.6 | Very high | 98.6 | Very high | 31 Ų | 31 | 100.2 Ų | 100.2 | 32% | 0.32 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -45.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I148 T149 R154 E155 L156 | I148-G152 PolarHBondContact O-N 3.48Å; T149-G152 WeakPolarHBondContact O-CA 3.36Å; T149-G152 PolarHBondContact O-N 3.49Å; G152-R154 PolarHBondContact O-N 3.03Å; G152-E155 PolarHBondContact O-N 3.16Å; G152-L156 WeakPolarHBondContact O-CG 3.31Å; G152-L156 PolarHBondContact O-N 3.2Å |
| 153 | E | 98.6 | Very high | 98.6 | Very high | 110 Ų | 110 | 102.4 Ų | 102.4 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 176.2 | -70.9 | 174.1 | 179.3 | 0 | 0 | 111.9 | T149 E155 L156 A157 | T149-E153 WeakPolarHBondContact O-CG 3.38Å; T149-E153 PolarHBondContact O-N 2.73Å; E153-E155 VanDerWaalsContact C-N 3.32Å; E153-E155 PolarHBondContact O-N 3.3Å; E153-L156 PolarHBondContact O-N 3.27Å; E153-A157 WeakPolarHBondContact O-CB 3.49Å; E153-A157 PolarHBondContact O-N 3.04Å |
| 154 | R | 98.6 | Very high | 98.6 | Very high | 153 Ų | 153 | 102.7 Ų | 102.7 | 58% | 0.577 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -42.5 | 175 | -175.5 | -165.7 | 69.4 | 179.9 | 2.1 | 111.9 | L150 R151 G152 A157 L158 | L150-R154 VanDerWaalsContact O-CB 3.29Å; L150-R154 WeakPolarHBondContact O-CB 3.43Å; L150-R154 PolarHBondContact O-N 3.22Å; R151-R154 PolarHBondContact O-N 3.38Å; G152-R154 PolarHBondContact O-N 3.03Å; R154-A157 PolarHBondContact O-N 3.4Å; R154-L158 HydrophobicContact CG-CD1 4.41Å; R154-L158 WeakPolarHBondContact O-CG 3.27Å; R154-L158 PolarHBondContact O-N 2.81Å |
| 155 | E | 98.7 | Very high | 98.6 | Very high | 81 Ų | 81 | 103 Ų | 103 | 38% | 0.379 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -38.6 | 178 | -76.1 | 174.2 | -162.8 | 0 | 0 | 112.4 | R151 G152 E153 R159 | R151-E155 WeakPolarHBondContact O-CG 3.28Å; R151-E155 PolarHBondContact O-N 2.8Å; G152-E155 PolarHBondContact O-N 3.16Å; E153-E155 VanDerWaalsContact C-N 3.32Å; E153-E155 PolarHBondContact O-N 3.3Å; E155-R159 WeakPolarHBondContact O-CG 3.39Å; E155-R159 PolarHBondContact O-N 3.36Å; E155-R159 VanDerWaalsContact O-N 3.14Å |
| 156 | L | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 102.5 Ų | 102.5 | 57% | 0.565 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -46.8 | 173.6 | -70.5 | 173.7 | 0 | 0 | 0 | 111.6 | G152 E153 L158 R159 E160 | G152-L156 WeakPolarHBondContact O-CG 3.31Å; G152-L156 PolarHBondContact O-N 3.2Å; E153-L156 PolarHBondContact O-N 3.27Å; L156-L158 VanDerWaalsContact C-N 3.31Å; L156-L158 PolarHBondContact O-N 2.84Å; L156-R159 PolarHBondContact O-N 3.15Å; L156-R159 VanDerWaalsContact O-N 3.16Å; L156-E160 PolarHBondContact O-N 3.36Å |
| 157 | A | 98.6 | Very high | 98.6 | Very high | 51 Ų | 51 | 102.8 Ų | 102.8 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | E153 R154 E160 V161 | E153-A157 WeakPolarHBondContact O-CB 3.49Å; E153-A157 PolarHBondContact O-N 3.04Å; R154-A157 PolarHBondContact O-N 3.4Å; A157-E160 PolarHBondContact O-N 3.19Å; A157-V161 WeakPolarHBondContact O-CG2 3.37Å; A157-V161 PolarHBondContact O-N 2.99Å |
| 158 | L | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 103.5 Ų | 103.5 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -43 | 175.1 | -76.7 | 171.5 | 0 | 0 | 0 | 112.1 | R154 L156 E160 V161 Y162 | R154-L158 HydrophobicContact CG-CD1 4.41Å; R154-L158 WeakPolarHBondContact O-CG 3.27Å; R154-L158 PolarHBondContact O-N 2.81Å; L156-L158 VanDerWaalsContact C-N 3.31Å; L156-L158 PolarHBondContact O-N 2.84Å; L158-E160 VanDerWaalsContact C-N 3.33Å; L158-E160 PolarHBondContact O-N 2.69Å; L158-V161 PolarHBondContact O-N 2.86Å; L158-Y162 WeakPolarHBondContact O-CD2 3.45Å; L158-Y162 PolarHBondContact O-N 2.83Å |
| 159 | R | 98.6 | Very high | 98.6 | Very high | 150 Ų | 150 | 105 Ų | 105 | 57% | 0.566 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 176 | -70.9 | 176.1 | -170.1 | 158 | 7.3 | 111.9 | E155 L156 Y162 Q163 | E155-R159 WeakPolarHBondContact O-CG 3.39Å; E155-R159 PolarHBondContact O-N 3.36Å; E155-R159 VanDerWaalsContact O-N 3.14Å; L156-R159 PolarHBondContact O-N 3.15Å; L156-R159 VanDerWaalsContact O-N 3.16Å; R159-Y162 PolarHBondContact O-N 3.45Å; R159-Q163 WeakPolarHBondContact O-CG 3.5Å; R159-Q163 PolarHBondContact O-N 2.82Å |
| 160 | E | 98.6 | Very high | 98.6 | Very high | 114 Ų | 114 | 106.7 Ų | 106.7 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63 | -44.8 | 175.6 | -174.1 | 176.3 | -175 | 0 | 0 | 111.3 | L156 A157 L158 Y162 Q163 K164 | L156-E160 PolarHBondContact O-N 3.36Å; A157-E160 PolarHBondContact O-N 3.19Å; L158-E160 VanDerWaalsContact C-N 3.33Å; L158-E160 PolarHBondContact O-N 2.69Å; E160-Y162 VanDerWaalsContact C-N 3.33Å; E160-Y162 PolarHBondContact O-N 3.44Å; E160-Q163 PolarHBondContact O-N 3.24Å; E160-K164 HydrophobicContact CG-CG 4.36Å; E160-K164 VanDerWaalsContact O-CG 3.32Å; E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 3.46Å |
| 161 | V | 98.7 | Very high | 98.6 | Very high | 79 Ų | 79 | 106.6 Ų | 106.6 | 48% | 0.479 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -56.6 | -47 | 174.7 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | A157 L158 Q163 K164 D165 | A157-V161 WeakPolarHBondContact O-CG2 3.37Å; A157-V161 PolarHBondContact O-N 2.99Å; L158-V161 PolarHBondContact O-N 2.86Å; V161-Q163 VanDerWaalsContact C-N 3.35Å; V161-Q163 PolarHBondContact O-N 2.92Å; V161-K164 PolarHBondContact O-N 2.92Å; V161-D165 WeakPolarHBondContact O-CB 3.35Å; V161-D165 PolarHBondContact O-N 3.21Å |
| 162 | Y | 98.7 | Very high | 98.6 | Very high | 164 Ų | 164 | 105.5 Ų | 105.5 | 64% | 0.643 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.4 | -42.8 | 176.5 | -79.3 | -65.5 | 0 | 0 | 0 | 112.9 | L158 R159 E160 D165 E166 | L158-Y162 WeakPolarHBondContact O-CD2 3.45Å; L158-Y162 PolarHBondContact O-N 2.83Å; R159-Y162 PolarHBondContact O-N 3.45Å; E160-Y162 VanDerWaalsContact C-N 3.33Å; E160-Y162 PolarHBondContact O-N 3.44Å; Y162-D165 PolarHBondContact O-N 2.86Å; Y162-E166 PolarHBondContact O-N 2.86Å |
| 163 | Q | 98.7 | Very high | 98.6 | Very high | 118 Ų | 118 | 111.4 Ų | 111.4 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -41.3 | 176.6 | -71.8 | 175.9 | -0.1 | 0 | 0 | 112.1 | R159 E160 V161 E166 Q167 | R159-Q163 WeakPolarHBondContact O-CG 3.5Å; R159-Q163 PolarHBondContact O-N 2.82Å; E160-Q163 PolarHBondContact O-N 3.24Å; V161-Q163 VanDerWaalsContact C-N 3.35Å; V161-Q163 PolarHBondContact O-N 2.92Å; Q163-E166 PolarHBondContact O-N 3.37Å; Q163-Q167 WeakPolarHBondContact O-CG 3.49Å; Q163-Q167 PolarHBondContact O-N 2.83Å |
| 164 | K | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 110.1 Ų | 110.1 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 176.5 | -66.5 | -63 | 178.3 | -174.7 | 0 | 111.7 | E160 V161 Q167 I168 | E160-K164 HydrophobicContact CG-CG 4.36Å; E160-K164 VanDerWaalsContact O-CG 3.32Å; E160-K164 WeakPolarHBondContact O-CG 3.47Å; E160-K164 PolarHBondContact O-N 3.46Å; V161-K164 PolarHBondContact O-N 2.92Å; K164-Q167 PolarHBondContact O-N 3.13Å; K164-I168 VanDerWaalsContact O-CG1 3.27Å; K164-I168 WeakPolarHBondContact O-CG1 3.4Å; K164-I168 PolarHBondContact O-N 3.33Å |
| 165 | D | 98.7 | Very high | 98.6 | Very high | 73 Ų | 73 | 108.2 Ų | 108.2 | 39% | 0.39 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -38.9 | 174.9 | -77.7 | -20 | 0 | 0 | 0 | 112.1 | V161 Y162 I168 K169 | V161-D165 WeakPolarHBondContact O-CB 3.35Å; V161-D165 PolarHBondContact O-N 3.21Å; Y162-D165 PolarHBondContact O-N 2.86Å; D165-I168 PolarHBondContact O-N 3.49Å; D165-K169 VanDerWaalsContact O-CG 3.31Å; D165-K169 WeakPolarHBondContact O-CG 3.28Å; D165-K169 PolarHBondContact O-N 3.39Å |
| 166 | E | 98.7 | Very high | 98.6 | Very high | 136 Ų | 136 | 107.9 Ų | 107.9 | 64% | 0.636 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.7 | -44.9 | 172.6 | -75.2 | -174.5 | 164.5 | 0 | 0 | 111.9 | Y162 Q163 I168 K169 E170 | Y162-E166 PolarHBondContact O-N 2.86Å; Q163-E166 PolarHBondContact O-N 3.37Å; E166-I168 VanDerWaalsContact C-N 3.33Å; E166-I168 PolarHBondContact O-N 2.84Å; E166-K169 PolarHBondContact O-N 3.45Å; E166-E170 PolarHBondContact O-N 2.96Å |
| 167 | Q | 98.6 | Very high | 98.6 | Very high | 95 Ų | 95 | 105.7 Ų | 105.7 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 175 | -71.8 | 174.2 | 2.3 | 0 | 0 | 111.9 | Q163 K164 E170 L171 | Q163-Q167 WeakPolarHBondContact O-CG 3.49Å; Q163-Q167 PolarHBondContact O-N 2.83Å; K164-Q167 PolarHBondContact O-N 3.13Å; Q167-E170 PolarHBondContact O-N 2.82Å; Q167-L171 WeakPolarHBondContact O-CG 3.49Å; Q167-L171 PolarHBondContact O-N 3.33Å |
| 168 | I | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 109.2 Ų | 109.2 | 43% | 0.426 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 176.9 | -72.3 | 166.6 | 0 | 0 | 0 | 110.6 | K164 D165 E166 E170 L171 Q172 | K164-I168 VanDerWaalsContact O-CG1 3.27Å; K164-I168 WeakPolarHBondContact O-CG1 3.4Å; K164-I168 PolarHBondContact O-N 3.33Å; D165-I168 PolarHBondContact O-N 3.49Å; E166-I168 VanDerWaalsContact C-N 3.33Å; E166-I168 PolarHBondContact O-N 2.84Å; I168-E170 PolarHBondContact O-N 2.95Å; I168-L171 PolarHBondContact O-N 2.88Å; I168-Q172 HydrophobicContact CG2-CG 4.35Å; I168-Q172 WeakPolarHBondContact O-CB 3.37Å; I168-Q172 VanDerWaalsContact O-CG 3.24Å; I168-Q172 WeakPolarHBondContact O-CG 3.5Å; I168-Q172 PolarHBondContact O-N 3.44Å |
| 169 | K | 98.7 | Very high | 98.6 | Very high | 138 Ų | 138 | 112.4 Ų | 112.4 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 176.7 | -74.2 | 170.5 | -175.6 | 171.9 | 0 | 112.1 | D165 E166 Q172 Y173 | D165-K169 VanDerWaalsContact O-CG 3.31Å; D165-K169 WeakPolarHBondContact O-CG 3.28Å; D165-K169 PolarHBondContact O-N 3.39Å; E166-K169 PolarHBondContact O-N 3.45Å; K169-Q172 PolarHBondContact O-N 2.95Å; K169-Y173 PolarHBondContact O-N 2.85Å |
| 170 | E | 98.7 | Very high | 98.6 | Very high | 116 Ų | 116 | 108.2 Ų | 108.2 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.7 | -47 | 176.8 | -171.5 | -179.1 | 175.6 | 0 | 0 | 111.4 | E166 Q167 I168 Q172 Y173 Q174 | E166-E170 PolarHBondContact O-N 2.96Å; Q167-E170 PolarHBondContact O-N 2.82Å; I168-E170 PolarHBondContact O-N 2.95Å; E170-Q172 VanDerWaalsContact C-N 3.32Å; E170-Q172 PolarHBondContact O-N 2.83Å; E170-Y173 WeakPolarHBondContact O-CB 3.43Å; E170-Y173 PolarHBondContact O-N 3.46Å; E170-Q174 WeakPolarHBondContact O-CG 3.41Å; E170-Q174 PolarHBondContact O-N 2.88Å; E170-Q174 PolarHBondContact OE1-NE2 3.03Å |
| 171 | L | 98.4 | Very high | 98.6 | Very high | 108 Ų | 108 | 106.1 Ų | 106.1 | 57% | 0.565 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -38.3 | 176.6 | -72.3 | 172.6 | 0 | 0 | 0 | 112.3 | Q167 I168 Q174 L175 | Q167-L171 WeakPolarHBondContact O-CG 3.49Å; Q167-L171 PolarHBondContact O-N 3.33Å; I168-L171 PolarHBondContact O-N 2.88Å; L171-Q174 PolarHBondContact O-N 2.86Å; L171-L175 VanDerWaalsContact O-CB 3.31Å; L171-L175 WeakPolarHBondContact O-CB 3.35Å; L171-L175 PolarHBondContact O-N 3.36Å |
| 172 | Q | 98.7 | Very high | 98.6 | Very high | 120 Ų | 120 | 105.9 Ų | 105.9 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 174.1 | -76.6 | 174 | -7.5 | 0 | 0 | 111.9 | I168 K169 E170 L175 S176 | I168-Q172 HydrophobicContact CG2-CG 4.35Å; I168-Q172 WeakPolarHBondContact O-CB 3.37Å; I168-Q172 VanDerWaalsContact O-CG 3.24Å; I168-Q172 WeakPolarHBondContact O-CG 3.5Å; I168-Q172 PolarHBondContact O-N 3.44Å; K169-Q172 PolarHBondContact O-N 2.95Å; E170-Q172 VanDerWaalsContact C-N 3.32Å; E170-Q172 PolarHBondContact O-N 2.83Å; Q172-L175 PolarHBondContact O-N 3.28Å; Q172-S176 WeakPolarHBondContact O-CB 3.36Å; Q172-S176 PolarHBondContact O-N 3.4Å |
| 173 | Y | 98.6 | Very high | 98.6 | Very high | 155 Ų | 155 | 100.9 Ų | 100.9 | 61% | 0.608 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -46.1 | 175.3 | 179 | -103.8 | 0 | 0 | 0 | 111.6 | K169 E170 L175 S176 N177 | K169-Y173 PolarHBondContact O-N 2.85Å; E170-Y173 WeakPolarHBondContact O-CB 3.43Å; E170-Y173 PolarHBondContact O-N 3.46Å; Y173-L175 PolarHBondContact O-N 3.37Å; Y173-S176 PolarHBondContact O-N 2.91Å; Y173-N177 WeakPolarHBondContact CD1-ND2 3.47Å; Y173-N177 WeakPolarHBondContact CE1-ND2 3.49Å; Y173-N177 PolarHBondContact O-N 2.8Å; Y173-N177 PolarHBondContact O-ND2 3.49Å |
| 174 | Q | 98.5 | Very high | 98.5 | Very high | 83 Ų | 83 | 97.6 Ų | 97.6 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 175.8 | -69.4 | 178.3 | 13.8 | 0 | 0 | 111.7 | E170 L171 S176 N177 Q178 | E170-Q174 WeakPolarHBondContact O-CG 3.41Å; E170-Q174 PolarHBondContact O-N 2.88Å; E170-Q174 PolarHBondContact OE1-NE2 3.03Å; L171-Q174 PolarHBondContact O-N 2.86Å; Q174-S176 VanDerWaalsContact C-N 3.35Å; Q174-S176 PolarHBondContact O-N 2.85Å; Q174-N177 PolarHBondContact O-N 3.29Å; Q174-Q178 WeakPolarHBondContact O-CG 3.48Å; Q174-Q178 PolarHBondContact O-N 2.9Å |
| 175 | L | 98.5 | Very high | 98.5 | Very high | 114 Ų | 114 | 98 Ų | 98 | 60% | 0.597 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.7 | -42.2 | 177 | -177.8 | 65.9 | 0 | 0 | 0 | 111.8 | L171 Q172 Y173 Q178 K179 | L171-L175 VanDerWaalsContact O-CB 3.31Å; L171-L175 WeakPolarHBondContact O-CB 3.35Å; L171-L175 PolarHBondContact O-N 3.36Å; Q172-L175 PolarHBondContact O-N 3.28Å; Y173-L175 PolarHBondContact O-N 3.37Å; L175-Q178 PolarHBondContact O-N 2.86Å; L175-K179 WeakPolarHBondContact O-CB 3.48Å; L175-K179 PolarHBondContact O-N 3.24Å |
| 176 | S | 98.7 | Very high | 98.5 | Very high | 74 Ų | 74 | 99.4 Ų | 99.4 | 52% | 0.517 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 176.4 | -173.8 | 0 | 0 | 0 | 0 | 111.9 | Q172 Y173 Q174 K179 S180 | Q172-S176 WeakPolarHBondContact O-CB 3.36Å; Q172-S176 PolarHBondContact O-N 3.4Å; Y173-S176 PolarHBondContact O-N 2.91Å; Q174-S176 VanDerWaalsContact C-N 3.35Å; Q174-S176 PolarHBondContact O-N 2.85Å; S176-K179 PolarHBondContact O-N 3.37Å; S176-S180 PolarHBondContact O-N 3.37Å |
| 177 | N | 98.6 | Very high | 98.5 | Very high | 61 Ų | 61 | 97.8 Ų | 97.8 | 33% | 0.326 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.5 | -39.2 | 177.2 | -69.8 | -18.2 | 0 | 0 | 0 | 112.7 | Y173 Q174 K179 S180 T181 | Y173-N177 WeakPolarHBondContact CD1-ND2 3.47Å; Y173-N177 WeakPolarHBondContact CE1-ND2 3.49Å; Y173-N177 PolarHBondContact O-N 2.8Å; Y173-N177 PolarHBondContact O-ND2 3.49Å; Q174-N177 PolarHBondContact O-N 3.29Å; N177-K179 VanDerWaalsContact C-N 3.34Å; N177-S180 PolarHBondContact O-N 2.9Å; N177-S180 PolarHBondContact O-OG 3.4Å; N177-T181 WeakPolarHBondContact O-CB 3.32Å; N177-T181 PolarHBondContact O-N 2.86Å; N177-T181 PolarHBondContact O-OG1 3.47Å |
| 178 | Q | 98.5 | Very high | 98.5 | Very high | 125 Ų | 125 | 99.1 Ų | 99.1 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 173.9 | -74.9 | -179.8 | -9.4 | 0 | 0 | 110.8 | Q174 L175 S180 T181 V182 | Q174-Q178 WeakPolarHBondContact O-CG 3.48Å; Q174-Q178 PolarHBondContact O-N 2.9Å; L175-Q178 PolarHBondContact O-N 2.86Å; Q178-S180 PolarHBondContact O-N 3.09Å; Q178-T181 WeakPolarHBondContact O-CB 3.29Å; Q178-T181 PolarHBondContact O-N 2.82Å; Q178-V182 WeakPolarHBondContact O-CG2 3.49Å; Q178-V182 PolarHBondContact O-N 3.5Å |
| 179 | K | 98.6 | Very high | 98.5 | Very high | 154 Ų | 154 | 99.7 Ų | 99.7 | 67% | 0.67 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -59 | -47.1 | 175.9 | -173.8 | 178.2 | 179.5 | -179.8 | 0 | 111.8 | L175 S176 N177 T181 V182 T183 | L175-K179 WeakPolarHBondContact O-CB 3.48Å; L175-K179 PolarHBondContact O-N 3.24Å; S176-K179 PolarHBondContact O-N 3.37Å; N177-K179 VanDerWaalsContact C-N 3.34Å; K179-T181 VanDerWaalsContact C-N 3.33Å; K179-T181 PolarHBondContact O-N 3.27Å; K179-V182 PolarHBondContact O-N 2.92Å; K179-T183 WeakPolarHBondContact O-CG2 3.26Å; K179-T183 PolarHBondContact O-N 3.08Å; K179-T183 PolarHBondContact O-OG1 3.19Å |
| 180 | S | 98.1 | Very high | 98.5 | Very high | 62 Ų | 62 | 97.3 Ų | 97.3 | 43% | 0.434 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.4 | -38.3 | 177.5 | 64.2 | 0 | 0 | 0 | 0 | 112.1 | S176 N177 Q178 T183 A184 | S176-S180 PolarHBondContact O-N 3.37Å; N177-S180 PolarHBondContact O-N 2.9Å; N177-S180 PolarHBondContact O-OG 3.4Å; Q178-S180 PolarHBondContact O-N 3.09Å; S180-T183 WeakPolarHBondContact CA-OG1 3.38Å; S180-T183 PolarHBondContact O-N 3.32Å; S180-T183 PolarHBondContact O-OG1 3.43Å; S180-A184 PolarHBondContact O-N 3.03Å |
| 181 | T | 98.5 | Very high | 98.4 | Very high | 71 Ų | 71 | 96 Ų | 96 | 44% | 0.436 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -45.8 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | N177 Q178 K179 A184 M185 | N177-T181 WeakPolarHBondContact O-CB 3.32Å; N177-T181 PolarHBondContact O-N 2.86Å; N177-T181 PolarHBondContact O-OG1 3.47Å; Q178-T181 WeakPolarHBondContact O-CB 3.29Å; Q178-T181 PolarHBondContact O-N 2.82Å; K179-T181 VanDerWaalsContact C-N 3.33Å; K179-T181 PolarHBondContact O-N 3.27Å; T181-A184 PolarHBondContact O-N 2.94Å; T181-M185 HydrophobicContact CG2-CE 3.89Å; T181-M185 HydrophobicContact CG2-SD 4.46Å; T181-M185 WeakPolarHBondContact O-CG 3.44Å; T181-M185 PolarHBondContact O-N 3.37Å |
| 182 | V | 98.4 | Very high | 98.5 | Very high | 73 Ų | 73 | 95.9 Ų | 95.9 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.8 | -46.4 | 176.2 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | Q178 K179 A184 M185 E186 | Q178-V182 WeakPolarHBondContact O-CG2 3.49Å; Q178-V182 PolarHBondContact O-N 3.5Å; K179-V182 PolarHBondContact O-N 2.92Å; V182-A184 VanDerWaalsContact C-N 3.27Å; V182-A184 PolarHBondContact O-N 2.84Å; V182-M185 PolarHBondContact O-N 2.79Å; V182-M185 VanDerWaalsContact O-N 3.09Å; V182-E186 HydrophobicContact CG1-CG 4.33Å; V182-E186 WeakPolarHBondContact O-CG 3.43Å; V182-E186 PolarHBondContact O-N 2.65Å |
| 183 | T | 98.4 | Very high | 98.4 | Very high | 60 Ų | 60 | 97.8 Ų | 97.8 | 37% | 0.368 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -35.6 | 177.1 | 56 | 0 | 0 | 0 | 0 | 112.8 | K179 S180 E186 I187 | K179-T183 WeakPolarHBondContact O-CG2 3.26Å; K179-T183 PolarHBondContact O-N 3.08Å; K179-T183 PolarHBondContact O-OG1 3.19Å; S180-T183 WeakPolarHBondContact CA-OG1 3.38Å; S180-T183 PolarHBondContact O-N 3.32Å; S180-T183 PolarHBondContact O-OG1 3.43Å; T183-E186 PolarHBondContact O-N 3.4Å; T183-I187 VanDerWaalsContact O-CG1 3.3Å; T183-I187 WeakPolarHBondContact O-CG1 3.38Å; T183-I187 PolarHBondContact O-N 2.91Å; T183-I187 VanDerWaalsContact O-N 3.13Å |
| 184 | A | 98.3 | Very high | 98.4 | Very high | 48 Ų | 48 | 92.9 Ų | 92.9 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | S180 T181 V182 I187 Q188 | S180-A184 PolarHBondContact O-N 3.03Å; T181-A184 PolarHBondContact O-N 2.94Å; V182-A184 VanDerWaalsContact C-N 3.27Å; V182-A184 PolarHBondContact O-N 2.84Å; A184-I187 PolarHBondContact O-N 3.31Å; A184-Q188 WeakPolarHBondContact O-CG 3.34Å; A184-Q188 PolarHBondContact O-N 3.45Å; A184-Q188 VanDerWaalsContact O-N 3.09Å |
| 185 | M | 98.4 | Very high | 98.4 | Very high | 108 Ų | 108 | 95.1 Ų | 95.1 | 53% | 0.532 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 175 | -70.1 | 178.6 | 175.8 | 0 | 0 | 112.2 | T181 V182 Q188 L189 | T181-M185 HydrophobicContact CG2-CE 3.89Å; T181-M185 HydrophobicContact CG2-SD 4.46Å; T181-M185 WeakPolarHBondContact O-CG 3.44Å; T181-M185 PolarHBondContact O-N 3.37Å; V182-M185 PolarHBondContact O-N 2.79Å; V182-M185 VanDerWaalsContact O-N 3.09Å; M185-Q188 WeakPolarHBondContact O-CB 3.41Å; M185-Q188 PolarHBondContact O-N 2.81Å; M185-L189 WeakPolarHBondContact O-CG 3.18Å; M185-L189 PolarHBondContact O-N 3.43Å |
| 186 | E | 98.5 | Very high | 98.4 | Very high | 103 Ų | 103 | 95.2 Ų | 95.2 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 174.3 | -73.1 | 171.8 | 162.5 | 0 | 0 | 111.1 | V182 T183 Q188 L189 D190 | V182-E186 HydrophobicContact CG1-CG 4.33Å; V182-E186 WeakPolarHBondContact O-CG 3.43Å; V182-E186 PolarHBondContact O-N 2.65Å; T183-E186 PolarHBondContact O-N 3.4Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.49Å; E186-L189 WeakPolarHBondContact O-CB 3.48Å; E186-L189 PolarHBondContact O-N 3.46Å; E186-L189 VanDerWaalsContact O-N 3.15Å; E186-D190 PolarHBondContact O-N 3.43Å |
| 187 | I | 98.4 | Very high | 98.4 | Very high | 103 Ų | 103 | 95.6 Ų | 95.6 | 53% | 0.528 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 175.1 | -66.3 | 164.9 | 0 | 0 | 0 | 111.1 | T183 A184 D190 I191 | T183-I187 VanDerWaalsContact O-CG1 3.3Å; T183-I187 WeakPolarHBondContact O-CG1 3.38Å; T183-I187 PolarHBondContact O-N 2.91Å; T183-I187 VanDerWaalsContact O-N 3.13Å; A184-I187 PolarHBondContact O-N 3.31Å; I187-D190 PolarHBondContact O-N 2.8Å; I187-I191 HydrophobicContact CG2-CD1 4.11Å; I187-I191 WeakPolarHBondContact O-CG1 3.41Å; I187-I191 PolarHBondContact O-N 3.41Å |
| 188 | Q | 98.6 | Very high | 98.4 | Very high | 122 Ų | 122 | 97.4 Ų | 97.4 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -40.6 | 176.1 | -73.6 | -179.3 | 0.4 | 0 | 0 | 112.6 | A184 M185 E186 D190 I191 L192 | A184-Q188 WeakPolarHBondContact O-CG 3.34Å; A184-Q188 PolarHBondContact O-N 3.45Å; A184-Q188 VanDerWaalsContact O-N 3.09Å; M185-Q188 WeakPolarHBondContact O-CB 3.41Å; M185-Q188 PolarHBondContact O-N 2.81Å; E186-Q188 VanDerWaalsContact C-N 3.3Å; E186-Q188 PolarHBondContact O-N 3.49Å; Q188-D190 VanDerWaalsContact C-N 3.33Å; Q188-I191 PolarHBondContact O-N 3.47Å; Q188-L192 WeakPolarHBondContact O-CG 3.32Å; Q188-L192 PolarHBondContact O-N 3.21Å |
| 189 | L | 97.7 | Very high | 98.4 | Very high | 95 Ų | 95 | 96 Ų | 96 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 175.5 | -77.2 | 173.4 | 0 | 0 | 0 | 111.6 | M185 E186 L192 R193 | M185-L189 WeakPolarHBondContact O-CG 3.18Å; M185-L189 PolarHBondContact O-N 3.43Å; E186-L189 WeakPolarHBondContact O-CB 3.48Å; E186-L189 PolarHBondContact O-N 3.46Å; E186-L189 VanDerWaalsContact O-N 3.15Å; L189-L192 PolarHBondContact O-N 3.19Å; L189-R193 WeakPolarHBondContact O-CB 3.3Å; L189-R193 VanDerWaalsContact O-CG 3.3Å; L189-R193 WeakPolarHBondContact O-CG 3.47Å; L189-R193 PolarHBondContact O-N 2.86Å |
| 190 | D | 98.7 | Very high | 98.4 | Very high | 89 Ų | 89 | 91.7 Ų | 91.7 | 48% | 0.476 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66 | -39.2 | 177.4 | -71.1 | -20.4 | 0 | 0 | 0 | 111.9 | E186 I187 Q188 L192 R193 A194 | E186-D190 PolarHBondContact O-N 3.43Å; I187-D190 PolarHBondContact O-N 2.8Å; Q188-D190 VanDerWaalsContact C-N 3.33Å; D190-L192 PolarHBondContact O-N 3.41Å; D190-R193 PolarHBondContact O-N 3.21Å; D190-R193 IonicContact OD1-NH1 2.87Å; D190-R193 PolarHBondContact OD1-NH1 2.81Å; D190-A194 WeakPolarHBondContact O-CB 3.46Å; D190-A194 PolarHBondContact O-N 2.83Å |
| 191 | I | 98.5 | Very high | 98.4 | Very high | 87 Ų | 87 | 93.6 Ų | 93.6 | 45% | 0.446 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 172.4 | -67.3 | 165.5 | 0 | 0 | 0 | 111.1 | I187 Q188 A194 K195 | I187-I191 HydrophobicContact CG2-CD1 4.11Å; I187-I191 WeakPolarHBondContact O-CG1 3.41Å; I187-I191 PolarHBondContact O-N 3.41Å; Q188-I191 PolarHBondContact O-N 3.47Å; I191-A194 PolarHBondContact O-N 3.27Å; I191-K195 HydrophobicContact CG2-CD 4.42Å; I191-K195 WeakPolarHBondContact O-CG 3.4Å; I191-K195 PolarHBondContact O-N 3.42Å |
| 192 | L | 98.4 | Very high | 98.4 | Very high | 106 Ų | 106 | 96.1 Ų | 96.1 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.1 | -38.6 | 178.5 | -72.8 | 173.9 | 0 | 0 | 0 | 112.1 | Q188 L189 D190 K195 L196 | Q188-L192 WeakPolarHBondContact O-CG 3.32Å; Q188-L192 PolarHBondContact O-N 3.21Å; L189-L192 PolarHBondContact O-N 3.19Å; D190-L192 PolarHBondContact O-N 3.41Å; L192-K195 PolarHBondContact O-N 2.9Å; L192-L196 WeakPolarHBondContact O-CB 3.3Å; L192-L196 PolarHBondContact O-N 3.22Å |
| 193 | R | 98.5 | Very high | 98.4 | Very high | 161 Ų | 161 | 95 Ų | 95 | 61% | 0.608 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 173.7 | -75.9 | 169.8 | 173.6 | 166.7 | -3.8 | 111.6 | L189 D190 L196 D197 | L189-R193 WeakPolarHBondContact O-CB 3.3Å; L189-R193 VanDerWaalsContact O-CG 3.3Å; L189-R193 WeakPolarHBondContact O-CG 3.47Å; L189-R193 PolarHBondContact O-N 2.86Å; D190-R193 PolarHBondContact O-N 3.21Å; D190-R193 IonicContact OD1-NH1 2.87Å; D190-R193 PolarHBondContact OD1-NH1 2.81Å; R193-L196 PolarHBondContact O-N 2.85Å; R193-D197 PolarHBondContact O-N 2.86Å |
| 194 | A | 98.5 | Very high | 98.5 | Very high | 51 Ų | 51 | 95.4 Ų | 95.4 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.8 | -45.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D190 I191 L196 D197 D198 | D190-A194 WeakPolarHBondContact O-CB 3.46Å; D190-A194 PolarHBondContact O-N 2.83Å; I191-A194 PolarHBondContact O-N 3.27Å; A194-L196 VanDerWaalsContact C-N 3.33Å; A194-L196 PolarHBondContact O-N 2.9Å; A194-D197 PolarHBondContact O-N 3.21Å; A194-D198 PolarHBondContact O-N 2.9Å |
| 195 | K | 98.6 | Very high | 98.5 | Very high | 131 Ų | 131 | 97 Ų | 97 | 57% | 0.57 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -60.4 | -40.1 | 175.4 | -75.2 | 178.7 | 177.7 | -177.5 | 0 | 113 | I191 L192 E199 | I191-K195 HydrophobicContact CG2-CD 4.42Å; I191-K195 WeakPolarHBondContact O-CG 3.4Å; I191-K195 PolarHBondContact O-N 3.42Å; L192-K195 PolarHBondContact O-N 2.9Å; K195-E199 WeakPolarHBondContact O-CB 3.33Å; K195-E199 PolarHBondContact O-N 3.4Å |
| 196 | L | 98.4 | Very high | 98.5 | Very high | 116 Ų | 116 | 96.4 Ų | 96.4 | 61% | 0.607 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 177.3 | 179.9 | 63.8 | 0 | 0 | 0 | 111.5 | L192 R193 A194 E199 T200 | L192-L196 WeakPolarHBondContact O-CB 3.3Å; L192-L196 PolarHBondContact O-N 3.22Å; R193-L196 PolarHBondContact O-N 2.85Å; A194-L196 VanDerWaalsContact C-N 3.33Å; A194-L196 PolarHBondContact O-N 2.9Å; L196-E199 PolarHBondContact O-N 3.22Å; L196-T200 WeakPolarHBondContact O-CB 3.42Å; L196-T200 PolarHBondContact O-N 3.24Å; L196-T200 PolarHBondContact O-OG1 3.36Å |
| 197 | D | 98.7 | Very high | 98.5 | Very high | 81 Ų | 81 | 96.9 Ų | 96.9 | 43% | 0.433 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 176 | -174.5 | 50.2 | 0 | 0 | 0 | 111.4 | R193 A194 E199 T200 K201 | R193-D197 PolarHBondContact O-N 2.86Å; A194-D197 PolarHBondContact O-N 3.21Å; D197-E199 PolarHBondContact O-N 2.88Å; D197-T200 PolarHBondContact O-N 2.71Å; D197-K201 WeakPolarHBondContact O-CG 3.39Å; D197-K201 PolarHBondContact O-N 3.45Å; D197-K201 WeakPolarHBondContact OD2-CE 3.47Å; D197-K201 IonicContact OD2-NZ 3.42Å; D197-K201 PolarHBondContact OD2-NZ 3.21Å |
| 198 | D | 98.6 | Very high | 98.5 | Very high | 100 Ų | 100 | 99.6 Ų | 99.6 | 54% | 0.535 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 175.4 | -72.2 | -18.7 | 0 | 0 | 0 | 112.1 | A194 T200 K201 R202 | A194-D198 PolarHBondContact O-N 2.9Å; D198-T200 VanDerWaalsContact C-N 3.34Å; D198-T200 PolarHBondContact O-N 3.33Å; D198-K201 PolarHBondContact O-N 2.83Å; D198-R202 WeakPolarHBondContact O-CB 3.5Å; D198-R202 PolarHBondContact O-N 2.92Å |
| 199 | E | 98.5 | Very high | 98.5 | Very high | 94 Ų | 94 | 96.9 Ų | 96.9 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -36 | 177.8 | -173 | 67.1 | 177.3 | 0 | 0 | 112.1 | K195 L196 D197 R202 A203 | K195-E199 WeakPolarHBondContact O-CB 3.33Å; K195-E199 PolarHBondContact O-N 3.4Å; L196-E199 PolarHBondContact O-N 3.22Å; D197-E199 PolarHBondContact O-N 2.88Å; E199-R202 VanDerWaalsContact CD-NH2 3.32Å; E199-R202 PolarHBondContact O-N 3.47Å; E199-R202 IonicContact OE1-CZ 3.56Å; E199-R202 IonicContact OE1-NE 3.9Å; E199-R202 IonicContact OE1-NH2 3.64Å; E199-R202 PolarHBondContact OE1-NH2 3.34Å; E199-R202 IonicContact OE2-CZ 3.34Å; E199-R202 IonicContact OE2-NE 3.74Å; E199-R202 PolarHBondContact OE2-NE 2.66Å; E199-R202 IonicContact OE2-NH2 4Å; E199-R202 PolarHBondContact OE2-NH2 3.49Å; E199-A203 WeakPolarHBondContact O-CB 3.41Å; E199-A203 PolarHBondContact O-N 2.88Å |
| 200 | T | 98.1 | Very high | 98.5 | Very high | 65 Ų | 65 | 96.4 Ų | 96.4 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 175.2 | -58 | 0 | 0 | 0 | 0 | 110.8 | L196 D197 D198 A203 N204 | L196-T200 WeakPolarHBondContact O-CB 3.42Å; L196-T200 PolarHBondContact O-N 3.24Å; L196-T200 PolarHBondContact O-OG1 3.36Å; D197-T200 PolarHBondContact O-N 2.71Å; D198-T200 VanDerWaalsContact C-N 3.34Å; D198-T200 PolarHBondContact O-N 3.33Å; T200-A203 PolarHBondContact O-N 3.41Å; T200-N204 VanDerWaalsContact O-CG 3.23Å; T200-N204 PolarHBondContact O-N 2.81Å; T200-N204 PolarHBondContact O-ND2 2.82Å |
| 201 | K | 98.6 | Very high | 98.5 | Very high | 101 Ų | 101 | 96.6 Ų | 96.6 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.8 | -47.2 | 173.3 | -72.1 | 168.6 | -172.7 | 157.2 | 0 | 111.2 | D197 D198 A203 N204 D205 | D197-K201 WeakPolarHBondContact O-CG 3.39Å; D197-K201 PolarHBondContact O-N 3.45Å; D197-K201 WeakPolarHBondContact OD2-CE 3.47Å; D197-K201 IonicContact OD2-NZ 3.42Å; D197-K201 PolarHBondContact OD2-NZ 3.21Å; D198-K201 PolarHBondContact O-N 2.83Å; K201-A203 VanDerWaalsContact C-N 3.33Å; K201-A203 PolarHBondContact O-N 3.33Å; K201-N204 PolarHBondContact O-N 2.94Å; K201-D205 PolarHBondContact O-N 2.92Å |
| 202 | R | 98.5 | Very high | 98.5 | Very high | 125 Ų | 125 | 98.1 Ų | 98.1 | 47% | 0.472 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 176.9 | -168.1 | -174.4 | 71.6 | 74.4 | -1.2 | 112.3 | D198 E199 D205 L206 | D198-R202 WeakPolarHBondContact O-CB 3.5Å; D198-R202 PolarHBondContact O-N 2.92Å; E199-R202 VanDerWaalsContact CD-NH2 3.32Å; E199-R202 PolarHBondContact O-N 3.47Å; E199-R202 IonicContact OE1-CZ 3.56Å; E199-R202 IonicContact OE1-NE 3.9Å; E199-R202 IonicContact OE1-NH2 3.64Å; E199-R202 PolarHBondContact OE1-NH2 3.34Å; E199-R202 IonicContact OE2-CZ 3.34Å; E199-R202 IonicContact OE2-NE 3.74Å; E199-R202 PolarHBondContact OE2-NE 2.66Å; E199-R202 IonicContact OE2-NH2 4Å; E199-R202 PolarHBondContact OE2-NH2 3.49Å; R202-D205 PolarHBondContact O-N 3.42Å; R202-L206 VanDerWaalsContact NH1-CD1 3.3Å; R202-L206 WeakPolarHBondContact O-CG 3.46Å; R202-L206 PolarHBondContact O-N 3.18Å |
| 203 | A | 98.4 | Very high | 98.5 | Very high | 49 Ų | 49 | 96.2 Ų | 96.2 | 41% | 0.405 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E199 T200 K201 D205 L206 E207 | E199-A203 WeakPolarHBondContact O-CB 3.41Å; E199-A203 PolarHBondContact O-N 2.88Å; T200-A203 PolarHBondContact O-N 3.41Å; K201-A203 VanDerWaalsContact C-N 3.33Å; K201-A203 PolarHBondContact O-N 3.33Å; A203-D205 VanDerWaalsContact C-N 3.33Å; A203-D205 PolarHBondContact O-N 3.37Å; A203-L206 PolarHBondContact O-N 3.39Å; A203-E207 PolarHBondContact O-N 3.23Å |
| 204 | N | 98.6 | Very high | 98.5 | Very high | 68 Ų | 68 | 96.1 Ų | 96.1 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 176.5 | -69.2 | -28.5 | 0 | 0 | 0 | 112.1 | T200 K201 E207 R208 | T200-N204 VanDerWaalsContact O-CG 3.23Å; T200-N204 PolarHBondContact O-N 2.81Å; T200-N204 PolarHBondContact O-ND2 2.82Å; K201-N204 PolarHBondContact O-N 2.94Å; N204-E207 PolarHBondContact O-N 3.38Å; N204-R208 WeakPolarHBondContact O-CG 3.36Å; N204-R208 PolarHBondContact O-N 2.89Å |
| 205 | D | 98.7 | Very high | 98.5 | Very high | 81 Ų | 81 | 96.3 Ų | 96.3 | 43% | 0.433 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68 | -37.9 | 177.2 | -69.3 | -24.5 | 0 | 0 | 0 | 112.1 | K201 R202 A203 R208 S209 | K201-D205 PolarHBondContact O-N 2.92Å; R202-D205 PolarHBondContact O-N 3.42Å; A203-D205 VanDerWaalsContact C-N 3.33Å; A203-D205 PolarHBondContact O-N 3.37Å; D205-R208 PolarHBondContact O-N 3.22Å; D205-R208 IonicContact OD1-CZ 3.11Å; D205-R208 IonicContact OD1-NH1 2.59Å; D205-R208 PolarHBondContact OD1-NH1 2.93Å; D205-S209 WeakPolarHBondContact O-CB 3.49Å; D205-S209 PolarHBondContact O-N 3.42Å; D205-S209 PolarHBondContact O-OG 3.46Å |
| 206 | L | 98.3 | Very high | 98.5 | Very high | 97 Ų | 97 | 95.4 Ų | 95.4 | 51% | 0.508 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66 | -40 | 171.7 | -74.3 | 175.7 | 0 | 0 | 0 | 112.2 | R202 A203 S209 L210 | R202-L206 VanDerWaalsContact NH1-CD1 3.3Å; R202-L206 WeakPolarHBondContact O-CG 3.46Å; R202-L206 PolarHBondContact O-N 3.18Å; A203-L206 PolarHBondContact O-N 3.39Å; L206-S209 PolarHBondContact O-N 2.98Å; L206-L210 WeakPolarHBondContact O-CB 3.36Å; L206-L210 PolarHBondContact O-N 3.42Å |
| 207 | E | 98.6 | Very high | 98.5 | Very high | 113 Ų | 113 | 94.9 Ų | 94.9 | 53% | 0.528 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 175.6 | -175.7 | 176.8 | -173.1 | 0 | 0 | 111.3 | A203 N204 S209 L210 I211 | A203-E207 PolarHBondContact O-N 3.23Å; N204-E207 PolarHBondContact O-N 3.38Å; E207-S209 PolarHBondContact O-N 2.99Å; E207-L210 PolarHBondContact O-N 2.85Å; E207-I211 HydrophobicContact CG-CD1 4.02Å; E207-I211 VanDerWaalsContact O-CG1 3.29Å; E207-I211 WeakPolarHBondContact O-CG1 3.43Å; E207-I211 PolarHBondContact O-N 2.94Å |
| 208 | R | 98.5 | Very high | 98.5 | Very high | 159 Ų | 159 | 95.3 Ų | 95.3 | 60% | 0.6 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -58.3 | -47.8 | 173.8 | -72.2 | 172.5 | -171 | 153.2 | -3 | 111.8 | N204 D205 L210 I211 E212 | N204-R208 WeakPolarHBondContact O-CG 3.36Å; N204-R208 PolarHBondContact O-N 2.89Å; D205-R208 PolarHBondContact O-N 3.22Å; D205-R208 IonicContact OD1-CZ 3.11Å; D205-R208 IonicContact OD1-NH1 2.59Å; D205-R208 PolarHBondContact OD1-NH1 2.93Å; R208-L210 VanDerWaalsContact C-N 3.28Å; R208-L210 PolarHBondContact O-N 3.28Å; R208-I211 PolarHBondContact O-N 3.32Å; R208-I211 VanDerWaalsContact O-N 3.17Å; R208-E212 PolarHBondContact O-N 2.93Å |
| 209 | S | 98.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 96.6 Ų | 96.6 | 46% | 0.462 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.7 | -38 | 178.2 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | D205 L206 E207 S213 | D205-S209 WeakPolarHBondContact O-CB 3.49Å; D205-S209 PolarHBondContact O-N 3.42Å; D205-S209 PolarHBondContact O-OG 3.46Å; L206-S209 PolarHBondContact O-N 2.98Å; E207-S209 PolarHBondContact O-N 2.99Å; S209-S213 WeakPolarHBondContact O-CB 3.41Å; S209-S213 PolarHBondContact O-N 2.87Å |
| 210 | L | 98.4 | Very high | 98.5 | Very high | 84 Ų | 84 | 98.1 Ų | 98.1 | 44% | 0.44 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 175.9 | 179.4 | 64.4 | 0 | 0 | 0 | 112 | L206 E207 R208 E212 R214 | L206-L210 WeakPolarHBondContact O-CB 3.36Å; L206-L210 PolarHBondContact O-N 3.42Å; E207-L210 PolarHBondContact O-N 2.85Å; R208-L210 VanDerWaalsContact C-N 3.28Å; R208-L210 PolarHBondContact O-N 3.28Å; L210-E212 VanDerWaalsContact C-N 3.35Å; L210-R214 WeakPolarHBondContact O-CB 3.43Å; L210-R214 VanDerWaalsContact O-CG 3.26Å; L210-R214 WeakPolarHBondContact O-CG 3.31Å; L210-R214 PolarHBondContact O-N 2.88Å |
| 211 | I | 98.6 | Very high | 98.5 | Very high | 93 Ų | 93 | 99.5 Ų | 99.5 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 176 | -69.9 | 165.7 | 0 | 0 | 0 | 110.2 | E207 R208 R214 S215 | E207-I211 HydrophobicContact CG-CD1 4.02Å; E207-I211 VanDerWaalsContact O-CG1 3.29Å; E207-I211 WeakPolarHBondContact O-CG1 3.43Å; E207-I211 PolarHBondContact O-N 2.94Å; R208-I211 PolarHBondContact O-N 3.32Å; R208-I211 VanDerWaalsContact O-N 3.17Å; I211-R214 PolarHBondContact O-N 3.42Å; I211-S215 PolarHBondContact O-N 3.13Å; I211-S215 PolarHBondContact O-OG 2.95Å |
| 212 | E | 98.5 | Very high | 98.4 | Very high | 119 Ų | 119 | 98 Ų | 98 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.3 | -52.6 | 176.9 | -172.1 | 169.5 | -160.4 | 0 | 0 | 111.1 | R208 L210 R214 S215 E216 | R208-E212 PolarHBondContact O-N 2.93Å; L210-E212 VanDerWaalsContact C-N 3.35Å; E212-R214 VanDerWaalsContact C-N 3.29Å; E212-R214 PolarHBondContact O-N 3.44Å; E212-S215 WeakPolarHBondContact CA-OG 3.49Å; E212-S215 WeakPolarHBondContact O-CA 3.02Å; E212-S215 WeakPolarHBondContact O-CB 3.41Å; E212-S215 PolarHBondContact O-N 2.87Å; E212-S215 PolarHBondContact O-OG 3.37Å; E212-E216 WeakPolarHBondContact O-CG 3.46Å; E212-E216 PolarHBondContact O-N 3.14Å |
| 213 | S | 98.5 | Very high | 98.4 | Very high | 66 Ų | 66 | 96.3 Ų | 96.3 | 46% | 0.462 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.2 | -36.9 | 176.1 | -179.3 | 0 | 0 | 0 | 0 | 113.1 | S209 L217 | S209-S213 WeakPolarHBondContact O-CB 3.41Å; S209-S213 PolarHBondContact O-N 2.87Å; S213-L217 WeakPolarHBondContact O-CB 3.34Å; S213-L217 PolarHBondContact O-N 3.43Å |
| 214 | R | 98.5 | Very high | 98.4 | Very high | 159 Ų | 159 | 97.2 Ų | 97.2 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.2 | -40.1 | 173.1 | -79.3 | 174.8 | 173.6 | 175.8 | 0.1 | 112 | L210 I211 E212 L217 V218 | L210-R214 WeakPolarHBondContact O-CB 3.43Å; L210-R214 VanDerWaalsContact O-CG 3.26Å; L210-R214 WeakPolarHBondContact O-CG 3.31Å; L210-R214 PolarHBondContact O-N 2.88Å; I211-R214 PolarHBondContact O-N 3.42Å; E212-R214 VanDerWaalsContact C-N 3.29Å; E212-R214 PolarHBondContact O-N 3.44Å; R214-L217 PolarHBondContact O-N 2.77Å; R214-V218 WeakPolarHBondContact O-CG2 3.39Å; R214-V218 PolarHBondContact O-N 2.79Å |
| 215 | S | 98.4 | Very high | 98.4 | Very high | 56 Ų | 56 | 101.3 Ų | 101.3 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -44.6 | 177.6 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | I211 E212 L217 V218 E219 | I211-S215 PolarHBondContact O-N 3.13Å; I211-S215 PolarHBondContact O-OG 2.95Å; E212-S215 WeakPolarHBondContact CA-OG 3.49Å; E212-S215 WeakPolarHBondContact O-CA 3.02Å; E212-S215 WeakPolarHBondContact O-CB 3.41Å; E212-S215 PolarHBondContact O-N 2.87Å; E212-S215 PolarHBondContact O-OG 3.37Å; S215-L217 VanDerWaalsContact C-N 3.31Å; S215-L217 PolarHBondContact O-N 3.45Å; S215-V218 PolarHBondContact O-N 3.29Å; S215-V218 VanDerWaalsContact O-N 3.14Å; S215-E219 WeakPolarHBondContact O-CG 3.37Å; S215-E219 PolarHBondContact O-N 3.02Å |
| 216 | E | 98.5 | Very high | 98.3 | Very high | 111 Ų | 111 | 103.4 Ų | 103.4 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 173.3 | -67.9 | 177.9 | 168 | 0 | 0 | 111.9 | E212 V218 E219 F220 | E212-E216 WeakPolarHBondContact O-CG 3.46Å; E212-E216 PolarHBondContact O-N 3.14Å; E216-V218 VanDerWaalsContact C-N 3.33Å; E216-V218 PolarHBondContact O-N 3.4Å; E216-E219 PolarHBondContact O-N 2.9Å; E216-F220 WeakPolarHBondContact O-CB 3.37Å; E216-F220 PolarHBondContact O-N 3.49Å |
| 217 | L | 98.5 | Very high | 98.3 | Very high | 105 Ų | 105 | 103.8 Ų | 103.8 | 55% | 0.55 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 178.1 | -172.6 | 143.7 | 0 | 0 | 0 | 111.9 | S213 R214 S215 F220 N221 | S213-L217 WeakPolarHBondContact O-CB 3.34Å; S213-L217 PolarHBondContact O-N 3.43Å; R214-L217 PolarHBondContact O-N 2.77Å; S215-L217 VanDerWaalsContact C-N 3.31Å; S215-L217 PolarHBondContact O-N 3.45Å; L217-F220 PolarHBondContact O-N 3.49Å; L217-N221 WeakPolarHBondContact O-CB 3.24Å; L217-N221 PolarHBondContact O-N 2.87Å |
| 218 | V | 98.5 | Very high | 98.3 | Very high | 90 Ų | 90 | 103.4 Ų | 103.4 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -42 | 175 | 169.7 | 0 | 0 | 0 | 0 | 111 | R214 S215 E216 N221 T222 | R214-V218 WeakPolarHBondContact O-CG2 3.39Å; R214-V218 PolarHBondContact O-N 2.79Å; S215-V218 PolarHBondContact O-N 3.29Å; S215-V218 VanDerWaalsContact O-N 3.14Å; E216-V218 VanDerWaalsContact C-N 3.33Å; E216-V218 PolarHBondContact O-N 3.4Å; V218-N221 PolarHBondContact O-N 3.3Å; V218-T222 WeakPolarHBondContact O-CB 3.47Å; V218-T222 PolarHBondContact O-N 2.94Å; V218-T222 PolarHBondContact O-OG1 3.04Å |
| 219 | E | 98.5 | Very high | 98.2 | Very high | 128 Ų | 128 | 98.9 Ų | 98.9 | 60% | 0.598 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.8 | -47.9 | 174 | -71 | -176 | 175.1 | 0 | 0 | 111.2 | S215 E216 N221 T222 I223 | S215-E219 WeakPolarHBondContact O-CG 3.37Å; S215-E219 PolarHBondContact O-N 3.02Å; E216-E219 PolarHBondContact O-N 2.9Å; E219-N221 PolarHBondContact O-N 3.01Å; E219-T222 WeakPolarHBondContact O-CB 3.37Å; E219-T222 PolarHBondContact O-N 2.98Å; E219-T222 VanDerWaalsContact O-N 3.13Å; E219-I223 WeakPolarHBondContact O-CG1 3.34Å; E219-I223 PolarHBondContact O-N 2.94Å |
| 220 | F | 98.3 | Very high | 98.2 | Very high | 125 Ų | 125 | 100.9 Ų | 100.9 | 55% | 0.548 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 176.9 | -177 | -106 | 0 | 0 | 0 | 112.3 | E216 L217 T222 I223 L224 | E216-F220 WeakPolarHBondContact O-CB 3.37Å; E216-F220 PolarHBondContact O-N 3.49Å; L217-F220 PolarHBondContact O-N 3.49Å; F220-T222 VanDerWaalsContact C-N 3.29Å; F220-T222 PolarHBondContact O-N 3.38Å; F220-I223 PolarHBondContact O-N 2.99Å; F220-L224 HydrophobicContact CD1-CD1 3.76Å; F220-L224 HydrophobicContact CD1-CG 4.24Å; F220-L224 HydrophobicContact CE1-CD1 3.27Å; F220-L224 HydrophobicContact CE1-CD2 4.49Å; F220-L224 HydrophobicContact CE1-CG 3.87Å; F220-L224 HydrophobicContact CE2-CG 4.46Å; F220-L224 HydrophobicContact CZ-CD1 3.81Å; F220-L224 HydrophobicContact CZ-CD2 4.19Å; F220-L224 HydrophobicContact CZ-CG 3.98Å; F220-L224 WeakPolarHBondContact O-CB 3.31Å; F220-L224 WeakPolarHBondContact O-CG 3.34Å; F220-L224 PolarHBondContact O-N 2.63Å |
| 221 | N | 98.1 | Very high | 98.2 | Very high | 94 Ų | 94 | 104.1 Ų | 104.1 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62 | -38.7 | 175.6 | -131.6 | -57.8 | 0 | 0 | 0 | 111.7 | L217 V218 E219 L224 R225 | L217-N221 WeakPolarHBondContact O-CB 3.24Å; L217-N221 PolarHBondContact O-N 2.87Å; V218-N221 PolarHBondContact O-N 3.3Å; E219-N221 PolarHBondContact O-N 3.01Å; N221-L224 PolarHBondContact O-N 3.48Å; N221-R225 WeakPolarHBondContact O-CB 3.27Å; N221-R225 PolarHBondContact O-N 2.92Å |
| 222 | T | 98 | Very high | 98.1 | Very high | 70 Ų | 70 | 104.1 Ų | 104.1 | 43% | 0.429 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | 176.6 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | V218 E219 F220 R225 Q226 | V218-T222 WeakPolarHBondContact O-CB 3.47Å; V218-T222 PolarHBondContact O-N 2.94Å; V218-T222 PolarHBondContact O-OG1 3.04Å; E219-T222 WeakPolarHBondContact O-CB 3.37Å; E219-T222 PolarHBondContact O-N 2.98Å; E219-T222 VanDerWaalsContact O-N 3.13Å; F220-T222 VanDerWaalsContact C-N 3.29Å; F220-T222 PolarHBondContact O-N 3.38Å; T222-R225 PolarHBondContact O-N 3.26Å; T222-Q226 VanDerWaalsContact O-CG 3.31Å; T222-Q226 WeakPolarHBondContact O-CG 3.41Å; T222-Q226 PolarHBondContact O-N 3.36Å |
| 223 | I | 98.5 | Very high | 98 | Very high | 90 Ų | 90 | 103.1 Ų | 103.1 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.4 | -45.7 | 176.9 | -66.3 | 166.1 | 0 | 0 | 0 | 110.8 | E219 F220 R225 Q226 L227 | E219-I223 WeakPolarHBondContact O-CG1 3.34Å; E219-I223 PolarHBondContact O-N 2.94Å; F220-I223 PolarHBondContact O-N 2.99Å; I223-R225 VanDerWaalsContact C-N 3.32Å; I223-R225 PolarHBondContact O-N 3.36Å; I223-Q226 WeakPolarHBondContact O-CB 3.47Å; I223-Q226 PolarHBondContact O-N 3.24Å; I223-L227 HydrophobicContact CG2-CD1 3.99Å; I223-L227 PolarHBondContact O-N 2.8Å |
| 224 | L | 97.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 102.9 Ų | 102.9 | 35% | 0.351 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 175 | -79.8 | -179.7 | 0 | 0 | 0 | 111.5 | F220 N221 Q226 L227 E228 | F220-L224 HydrophobicContact CD1-CD1 3.76Å; F220-L224 HydrophobicContact CD1-CG 4.24Å; F220-L224 HydrophobicContact CE1-CD1 3.27Å; F220-L224 HydrophobicContact CE1-CD2 4.49Å; F220-L224 HydrophobicContact CE1-CG 3.87Å; F220-L224 HydrophobicContact CE2-CG 4.46Å; F220-L224 HydrophobicContact CZ-CD1 3.81Å; F220-L224 HydrophobicContact CZ-CD2 4.19Å; F220-L224 HydrophobicContact CZ-CG 3.98Å; F220-L224 WeakPolarHBondContact O-CB 3.31Å; F220-L224 WeakPolarHBondContact O-CG 3.34Å; F220-L224 PolarHBondContact O-N 2.63Å; N221-L224 PolarHBondContact O-N 3.48Å; L224-Q226 VanDerWaalsContact C-N 3.32Å; L224-Q226 PolarHBondContact O-N 2.89Å; L224-L227 WeakPolarHBondContact O-CB 3.29Å; L224-L227 PolarHBondContact O-N 3.28Å; L224-E228 WeakPolarHBondContact O-CG 3.32Å; L224-E228 PolarHBondContact O-N 3.07Å |
| 225 | R | 97.6 | Very high | 97.7 | Very high | 155 Ų | 155 | 97.8 Ų | 97.8 | 59% | 0.585 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.3 | -37.9 | 179.2 | -169.9 | 57.1 | 171.3 | 175.9 | -0.2 | 112.2 | N221 T222 I223 E228 V229 | N221-R225 WeakPolarHBondContact O-CB 3.27Å; N221-R225 PolarHBondContact O-N 2.92Å; T222-R225 PolarHBondContact O-N 3.26Å; I223-R225 VanDerWaalsContact C-N 3.32Å; I223-R225 PolarHBondContact O-N 3.36Å; R225-E228 VanDerWaalsContact CD-OE2 3.28Å; R225-E228 WeakPolarHBondContact CD-OE2 3.44Å; R225-E228 IonicContact CZ-OE2 3.57Å; R225-E228 IonicContact NE-OE2 3.49Å; R225-E228 IonicContact NH1-OE2 3.26Å; R225-E228 PolarHBondContact NH1-OE2 3.49Å; R225-E228 PolarHBondContact O-N 3.17Å; R225-V229 WeakPolarHBondContact O-CB 3.05Å; R225-V229 VanDerWaalsContact O-CG2 3.27Å; R225-V229 WeakPolarHBondContact O-CG2 3.4Å; R225-V229 PolarHBondContact O-N 2.9Å |
| 226 | Q | 98 | Very high | 97.5 | Very high | 125 Ų | 125 | 98.9 Ų | 98.9 | 58% | 0.584 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.4 | -43.3 | 173.3 | -71.9 | 172.9 | 3.5 | 0 | 0 | 111.6 | T222 I223 L224 V229 H230 | T222-Q226 VanDerWaalsContact O-CG 3.31Å; T222-Q226 WeakPolarHBondContact O-CG 3.41Å; T222-Q226 PolarHBondContact O-N 3.36Å; I223-Q226 WeakPolarHBondContact O-CB 3.47Å; I223-Q226 PolarHBondContact O-N 3.24Å; L224-Q226 VanDerWaalsContact C-N 3.32Å; L224-Q226 PolarHBondContact O-N 2.89Å; Q226-V229 PolarHBondContact O-N 2.85Å; Q226-H230 WeakPolarHBondContact O-CB 3.27Å; Q226-H230 PolarHBondContact O-N 3.44Å |
| 227 | L | 97.7 | Very high | 97.3 | Very high | 105 Ų | 105 | 100.3 Ų | 100.3 | 55% | 0.55 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 174.8 | -82.3 | 158.3 | 0 | 0 | 0 | 112.2 | I223 L224 H230 Y231 | I223-L227 HydrophobicContact CG2-CD1 3.99Å; I223-L227 PolarHBondContact O-N 2.8Å; L224-L227 WeakPolarHBondContact O-CB 3.29Å; L224-L227 PolarHBondContact O-N 3.28Å; L227-H230 PolarHBondContact O-N 2.94Å; L227-Y231 VanDerWaalsContact O-CB 3.28Å; L227-Y231 WeakPolarHBondContact O-CB 3.49Å; L227-Y231 PolarHBondContact O-N 3.36Å |
| 228 | E | 97.6 | Very high | 97 | Very high | 104 Ų | 104 | 100.9 Ų | 100.9 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 175 | -74.6 | 177.1 | 171.4 | 0 | 0 | 111.7 | L224 R225 Y231 Q232 | L224-E228 WeakPolarHBondContact O-CG 3.32Å; L224-E228 PolarHBondContact O-N 3.07Å; R225-E228 VanDerWaalsContact CD-OE2 3.28Å; R225-E228 WeakPolarHBondContact CD-OE2 3.44Å; R225-E228 IonicContact CZ-OE2 3.57Å; R225-E228 IonicContact NE-OE2 3.49Å; R225-E228 IonicContact NH1-OE2 3.26Å; R225-E228 PolarHBondContact NH1-OE2 3.49Å; R225-E228 PolarHBondContact O-N 3.17Å; E228-Y231 PolarHBondContact O-N 2.88Å; E228-Q232 WeakPolarHBondContact O-CB 3.49Å; E228-Q232 PolarHBondContact O-N 2.64Å |
| 229 | V | 97.8 | Very high | 96.6 | Very high | 65 Ų | 65 | 102 Ų | 102 | 39% | 0.394 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -45 | 177.8 | 169.8 | 0 | 0 | 0 | 0 | 110.5 | R225 Q226 Q232 Q233 | R225-V229 WeakPolarHBondContact O-CB 3.05Å; R225-V229 VanDerWaalsContact O-CG2 3.27Å; R225-V229 WeakPolarHBondContact O-CG2 3.4Å; R225-V229 PolarHBondContact O-N 2.9Å; Q226-V229 PolarHBondContact O-N 2.85Å; V229-Q232 PolarHBondContact O-N 3.44Å; V229-Q233 WeakPolarHBondContact O-CB 3.47Å; V229-Q233 VanDerWaalsContact O-CG 3.28Å; V229-Q233 WeakPolarHBondContact O-CG 3.36Å; V229-Q233 PolarHBondContact O-N 3.2Å |
| 230 | H | 97.9 | Very high | 96.3 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 50% | 0.495 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 176.8 | -179.8 | -84.5 | 0 | 0 | 0 | 111.6 | Q226 L227 Q232 Q233 E234 | Q226-H230 WeakPolarHBondContact O-CB 3.27Å; Q226-H230 PolarHBondContact O-N 3.44Å; L227-H230 PolarHBondContact O-N 2.94Å; H230-Q232 VanDerWaalsContact C-N 3.33Å; H230-Q232 PolarHBondContact O-N 2.93Å; H230-Q233 WeakPolarHBondContact O-CB 3.49Å; H230-Q233 PolarHBondContact O-N 3.39Å; H230-E234 PolarHBondContact O-N 3.21Å |
| 231 | Y | 97.5 | Very high | 95.9 | Very high | 152 Ų | 152 | 95.3 Ų | 95.3 | 60% | 0.596 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -58.6 | -44.5 | 176 | 175.5 | -98.8 | 0 | 0 | 0 | 111.6 | L227 E228 Q233 E234 L235 | L227-Y231 VanDerWaalsContact O-CB 3.28Å; L227-Y231 WeakPolarHBondContact O-CB 3.49Å; L227-Y231 PolarHBondContact O-N 3.36Å; E228-Y231 PolarHBondContact O-N 2.88Å; Y231-Q233 VanDerWaalsContact C-N 3.34Å; Y231-Q233 PolarHBondContact O-N 2.93Å; Y231-E234 PolarHBondContact O-N 2.92Å; Y231-L235 HydrophobicContact CE1-CD2 4.47Å; Y231-L235 WeakPolarHBondContact O-CB 3.34Å; Y231-L235 PolarHBondContact O-N 2.98Å |
| 232 | Q | 97.4 | Very high | 95.6 | Very high | 93 Ų | 93 | 93 Ų | 93 | 44% | 0.435 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.2 | -38 | 177.7 | -170.1 | 63 | 47.7 | 0 | 0 | 112.1 | E228 V229 H230 N236 | E228-Q232 WeakPolarHBondContact O-CB 3.49Å; E228-Q232 PolarHBondContact O-N 2.64Å; V229-Q232 PolarHBondContact O-N 3.44Å; H230-Q232 VanDerWaalsContact C-N 3.33Å; H230-Q232 PolarHBondContact O-N 2.93Å; Q232-N236 PolarHBondContact NE2-OD1 2.98Å; Q232-N236 WeakPolarHBondContact O-CB 3.42Å; Q232-N236 PolarHBondContact O-N 3.34Å; Q232-N236 PolarHBondContact O-ND2 3.39Å |
| 233 | Q | 96.4 | Very high | 95.1 | Very high | 99 Ų | 99 | 95.3 Ų | 95.3 | 46% | 0.463 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 174.3 | -74.1 | 173.9 | 2.7 | 0 | 0 | 111.5 | V229 H230 Y231 N236 R237 | V229-Q233 WeakPolarHBondContact O-CB 3.47Å; V229-Q233 VanDerWaalsContact O-CG 3.28Å; V229-Q233 WeakPolarHBondContact O-CG 3.36Å; V229-Q233 PolarHBondContact O-N 3.2Å; H230-Q233 WeakPolarHBondContact O-CB 3.49Å; H230-Q233 PolarHBondContact O-N 3.39Å; Y231-Q233 VanDerWaalsContact C-N 3.34Å; Y231-Q233 PolarHBondContact O-N 2.93Å; Q233-N236 PolarHBondContact O-N 2.88Å; Q233-R237 WeakPolarHBondContact O-CG 3.4Å; Q233-R237 PolarHBondContact O-N 3.46Å |
| 234 | E | 96 | Very high | 94.8 | Very high | 61 Ų | 61 | 94.9 Ų | 94.9 | 29% | 0.285 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 176.1 | -74.8 | -56.7 | 123.7 | 0 | 0 | 111.9 | H230 Y231 N236 R237 I238 | H230-E234 PolarHBondContact O-N 3.21Å; Y231-E234 PolarHBondContact O-N 2.92Å; E234-N236 VanDerWaalsContact C-N 3.34Å; E234-N236 PolarHBondContact O-N 2.96Å; E234-R237 WeakPolarHBondContact O-CB 3.37Å; E234-R237 PolarHBondContact O-N 3.44Å; E234-R237 WeakPolarHBondContact OE1-CD 3.26Å; E234-R237 IonicContact OE1-CZ 2.96Å; E234-R237 IonicContact OE1-NE 2.82Å; E234-R237 IonicContact OE1-NH1 2.65Å; E234-R237 PolarHBondContact OE1-NH1 3.26Å; E234-I238 WeakPolarHBondContact O-CB 3.31Å; E234-I238 VanDerWaalsContact O-CG1 3.25Å; E234-I238 WeakPolarHBondContact O-CG1 3.43Å; E234-I238 PolarHBondContact O-N 2.98Å |
| 235 | L | 94.8 | Very high | 94.5 | Very high | 52 Ų | 52 | 97.4 Ų | 97.4 | 27% | 0.272 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 174.1 | -169.8 | 72.7 | 0 | 0 | 0 | 111.2 | Y231 I238 Q239 | Y231-L235 HydrophobicContact CE1-CD2 4.47Å; Y231-L235 WeakPolarHBondContact O-CB 3.34Å; Y231-L235 PolarHBondContact O-N 2.98Å; L235-I238 PolarHBondContact O-N 2.69Å; L235-Q239 WeakPolarHBondContact O-CB 3.49Å; L235-Q239 WeakPolarHBondContact O-CG 3.49Å; L235-Q239 PolarHBondContact O-N 2.89Å |
| 236 | N | 94.9 | Very high | 94.3 | Very high | 78 Ų | 78 | 96.1 Ų | 96.1 | 42% | 0.417 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | 176.6 | -71.7 | -13.7 | 0 | 0 | 0 | 111.8 | Q232 Q233 E234 Q239 S240 | Q232-N236 PolarHBondContact NE2-OD1 2.98Å; Q232-N236 WeakPolarHBondContact O-CB 3.42Å; Q232-N236 PolarHBondContact O-N 3.34Å; Q232-N236 PolarHBondContact O-ND2 3.39Å; Q233-N236 PolarHBondContact O-N 2.88Å; E234-N236 VanDerWaalsContact C-N 3.34Å; E234-N236 PolarHBondContact O-N 2.96Å; N236-Q239 PolarHBondContact O-N 3.43Å; N236-S240 WeakPolarHBondContact O-CB 3.34Å; N236-S240 PolarHBondContact O-N 3.01Å; N236-S240 PolarHBondContact O-OG 2.78Å |
| 237 | R | 93.5 | Very high | 94 | Very high | 141 Ų | 141 | 95.7 Ų | 95.7 | 53% | 0.532 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.3 | -53 | 173.3 | -76.5 | 172.9 | 174.7 | 175.1 | -1.8 | 110.6 | Q233 E234 Q239 S240 T241 | Q233-R237 WeakPolarHBondContact O-CG 3.4Å; Q233-R237 PolarHBondContact O-N 3.46Å; E234-R237 WeakPolarHBondContact O-CB 3.37Å; E234-R237 PolarHBondContact O-N 3.44Å; E234-R237 WeakPolarHBondContact OE1-CD 3.26Å; E234-R237 IonicContact OE1-CZ 2.96Å; E234-R237 IonicContact OE1-NE 2.82Å; E234-R237 IonicContact OE1-NH1 2.65Å; E234-R237 PolarHBondContact OE1-NH1 3.26Å; R237-Q239 PolarHBondContact O-N 3.49Å; R237-S240 PolarHBondContact O-N 3.36Å; R237-T241 VanDerWaalsContact O-CB 3.24Å; R237-T241 WeakPolarHBondContact O-CB 3.34Å; R237-T241 PolarHBondContact O-N 2.62Å; R237-T241 PolarHBondContact O-OG1 3.24Å |
| 238 | I | 92.5 | Very high | 93.8 | Very high | 117 Ų | 117 | 94.7 Ų | 94.7 | 60% | 0.6 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -58.8 | -34.2 | 179.1 | -67.8 | 165.9 | 0 | 0 | 0 | 111.8 | E234 L235 P242 | E234-I238 WeakPolarHBondContact O-CB 3.31Å; E234-I238 VanDerWaalsContact O-CG1 3.25Å; E234-I238 WeakPolarHBondContact O-CG1 3.43Å; E234-I238 PolarHBondContact O-N 2.98Å; L235-I238 PolarHBondContact O-N 2.69Å; I238-P242 WeakPolarHBondContact O-CD 3.24Å; I238-P242 WeakPolarHBondContact O-CG 3.38Å |
| 239 | Q | 90.7 | Very high | 93.6 | Very high | 113 Ų | 113 | 96.4 Ų | 96.4 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -78.9 | -43.2 | 176.3 | -72.6 | -179.4 | -2.4 | 0 | 0 | 113.2 | L235 N236 R237 Q243 | L235-Q239 WeakPolarHBondContact O-CB 3.49Å; L235-Q239 WeakPolarHBondContact O-CG 3.49Å; L235-Q239 PolarHBondContact O-N 2.89Å; N236-Q239 PolarHBondContact O-N 3.43Å; R237-Q239 PolarHBondContact O-N 3.49Å; Q239-Q243 WeakPolarHBondContact O-CG 3.49Å |
| 240 | S | 91.3 | Very high | 93.5 | Very high | 47 Ų | 47 | 97.6 Ų | 97.6 | 33% | 0.329 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -81.8 | -34.5 | -173.1 | 62.5 | 0 | 0 | 0 | 0 | 113.6 | N236 R237 Q243 N244 | N236-S240 WeakPolarHBondContact O-CB 3.34Å; N236-S240 PolarHBondContact O-N 3.01Å; N236-S240 PolarHBondContact O-OG 2.78Å; R237-S240 PolarHBondContact O-N 3.36Å; S240-Q243 PolarHBondContact O-N 3.28Å; S240-N244 VanDerWaalsContact O-CB 3.32Å; S240-N244 WeakPolarHBondContact O-CB 3.39Å; S240-N244 PolarHBondContact O-N 2.95Å; S240-N244 PolarHBondContact O-ND2 3.36Å |
| 241 | T | 90.9 | Very high | 93.3 | Very high | 67 Ų | 67 | 99.9 Ų | 99.9 | 41% | 0.411 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.4 | -55.9 | 179.9 | -58.9 | 0 | 0 | 0 | 0 | 112.4 | R237 Q243 N244 E245 | R237-T241 VanDerWaalsContact O-CB 3.24Å; R237-T241 WeakPolarHBondContact O-CB 3.34Å; R237-T241 PolarHBondContact O-N 2.62Å; R237-T241 PolarHBondContact O-OG1 3.24Å; T241-Q243 VanDerWaalsContact C-N 3.33Å; T241-Q243 PolarHBondContact O-N 3.39Å; T241-N244 PolarHBondContact O-N 3.4Å; T241-E245 WeakPolarHBondContact O-CG 3.36Å; T241-E245 PolarHBondContact O-N 3.43Å |
| 242 | P | 89.9 | Confident | 93.2 | Very high | 46 Ų | 46 | 97 Ų | 97 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -34.3 | 177.4 | 26 | -33.9 | 0 | 0 | 0 | 112.1 | I238 N244 E245 F246 | I238-P242 WeakPolarHBondContact O-CD 3.24Å; I238-P242 WeakPolarHBondContact O-CG 3.38Å; P242-N244 VanDerWaalsContact C-N 3.33Å; P242-N244 PolarHBondContact O-N 2.94Å; P242-E245 PolarHBondContact O-N 3.26Å; P242-F246 HydrophobicContact CB-CD2 4.38Å; P242-F246 HydrophobicContact CB-CE2 4.08Å; P242-F246 VanDerWaalsContact O-CB 3.3Å; P242-F246 WeakPolarHBondContact O-CB 3.39Å; P242-F246 WeakPolarHBondContact O-CD2 3.48Å; P242-F246 WeakPolarHBondContact O-CG 3.41Å; P242-F246 PolarHBondContact O-N 3.49Å |
| 243 | Q | 88.7 | Confident | 93 | Very high | 117 Ų | 117 | 97.6 Ų | 97.6 | 55% | 0.547 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 173.6 | -86.6 | -171.3 | -10.3 | 0 | 0 | 112.1 | Q239 S240 T241 K247 | Q239-Q243 WeakPolarHBondContact O-CG 3.49Å; S240-Q243 PolarHBondContact O-N 3.28Å; T241-Q243 VanDerWaalsContact C-N 3.33Å; T241-Q243 PolarHBondContact O-N 3.39Å; Q243-K247 WeakPolarHBondContact O-CB 3.3Å; Q243-K247 VanDerWaalsContact O-CG 3.25Å; Q243-K247 WeakPolarHBondContact O-CG 3.43Å; Q243-K247 PolarHBondContact O-N 2.86Å |
| 244 | N | 91.8 | Very high | 92.9 | Very high | 81 Ų | 81 | 98.6 Ų | 98.6 | 43% | 0.433 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.3 | -44.3 | 177.5 | -71 | -22.1 | 0 | 0 | 0 | 111 | S240 T241 P242 F246 K247 D248 | S240-N244 VanDerWaalsContact O-CB 3.32Å; S240-N244 WeakPolarHBondContact O-CB 3.39Å; S240-N244 PolarHBondContact O-N 2.95Å; S240-N244 PolarHBondContact O-ND2 3.36Å; T241-N244 PolarHBondContact O-N 3.4Å; P242-N244 VanDerWaalsContact C-N 3.33Å; P242-N244 PolarHBondContact O-N 2.94Å; N244-F246 VanDerWaalsContact C-N 3.34Å; N244-F246 PolarHBondContact O-N 2.95Å; N244-K247 PolarHBondContact O-N 3.05Å; N244-D248 WeakPolarHBondContact O-CB 3.32Å; N244-D248 VanDerWaalsContact O-CG 3.25Å; N244-D248 PolarHBondContact O-N 3.26Å |
| 245 | E | 92.1 | Very high | 92.8 | Very high | 121 Ų | 121 | 101.5 Ų | 101.5 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59 | -43.5 | 174.2 | -73.7 | 178.6 | -170.3 | 0 | 0 | 111.9 | T241 P242 D248 K249 | T241-E245 WeakPolarHBondContact O-CG 3.36Å; T241-E245 PolarHBondContact O-N 3.43Å; P242-E245 PolarHBondContact O-N 3.26Å; E245-D248 PolarHBondContact O-N 3.36Å; E245-K249 VanDerWaalsContact O-CB 3.29Å; E245-K249 WeakPolarHBondContact O-CB 3.47Å; E245-K249 PolarHBondContact O-N 3.37Å |
| 246 | F | 92.6 | Very high | 92.8 | Very high | 128 Ų | 128 | 104.5 Ų | 104.5 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 175.6 | -69.5 | -43 | 0 | 0 | 0 | 112 | P242 N244 D248 K249 I250 | P242-F246 HydrophobicContact CB-CD2 4.38Å; P242-F246 HydrophobicContact CB-CE2 4.08Å; P242-F246 VanDerWaalsContact O-CB 3.3Å; P242-F246 WeakPolarHBondContact O-CB 3.39Å; P242-F246 WeakPolarHBondContact O-CD2 3.48Å; P242-F246 WeakPolarHBondContact O-CG 3.41Å; P242-F246 PolarHBondContact O-N 3.49Å; N244-F246 VanDerWaalsContact C-N 3.34Å; N244-F246 PolarHBondContact O-N 2.95Å; F246-D248 VanDerWaalsContact C-N 3.3Å; F246-D248 PolarHBondContact O-N 2.99Å; F246-K249 PolarHBondContact O-N 3.23Å; F246-I250 WeakPolarHBondContact O-CB 3.41Å; F246-I250 WeakPolarHBondContact O-CG1 3.46Å; F246-I250 PolarHBondContact O-N 3.15Å |
| 247 | K | 92.9 | Very high | 92.7 | Very high | 116 Ų | 116 | 107 Ų | 107 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 173.7 | -79.6 | 174.7 | 178.9 | 176.1 | 0 | 111.7 | Q243 N244 R251 | Q243-K247 WeakPolarHBondContact O-CB 3.3Å; Q243-K247 VanDerWaalsContact O-CG 3.25Å; Q243-K247 WeakPolarHBondContact O-CG 3.43Å; Q243-K247 PolarHBondContact O-N 2.86Å; N244-K247 PolarHBondContact O-N 3.05Å; K247-R251 WeakPolarHBondContact O-CB 3.36Å; K247-R251 WeakPolarHBondContact O-CG 3.43Å; K247-R251 PolarHBondContact O-N 2.88Å |
| 248 | D | 93.3 | Very high | 92.7 | Very high | 83 Ų | 83 | 103.2 Ų | 103.2 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.1 | -39.6 | 177.6 | -70.8 | -13.8 | 0 | 0 | 0 | 111.5 | N244 E245 F246 R251 H252 | N244-D248 WeakPolarHBondContact O-CB 3.32Å; N244-D248 VanDerWaalsContact O-CG 3.25Å; N244-D248 PolarHBondContact O-N 3.26Å; E245-D248 PolarHBondContact O-N 3.36Å; F246-D248 VanDerWaalsContact C-N 3.3Å; F246-D248 PolarHBondContact O-N 2.99Å; D248-R251 PolarHBondContact O-N 3.48Å; D248-R251 IonicContact OD1-CZ 3.48Å; D248-R251 IonicContact OD1-NE 2.62Å; D248-R251 IonicContact OD1-NH2 2.78Å; D248-R251 PolarHBondContact OD1-NH2 3.09Å; D248-H252 VanDerWaalsContact O-CB 3.27Å; D248-H252 WeakPolarHBondContact O-CB 3.5Å; D248-H252 PolarHBondContact O-N 2.87Å |
| 249 | K | 93.8 | Very high | 92.7 | Very high | 140 Ų | 140 | 101.8 Ų | 101.8 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | 176 | -144.6 | 168.9 | -165.7 | 170.8 | 0 | 111.9 | E245 F246 H252 L253 | E245-K249 VanDerWaalsContact O-CB 3.29Å; E245-K249 WeakPolarHBondContact O-CB 3.47Å; E245-K249 PolarHBondContact O-N 3.37Å; F246-K249 PolarHBondContact O-N 3.23Å; K249-H252 PolarHBondContact O-N 3.35Å; K249-L253 WeakPolarHBondContact O-CB 3.5Å; K249-L253 VanDerWaalsContact O-CG 3.25Å; K249-L253 WeakPolarHBondContact O-CG 3.44Å; K249-L253 PolarHBondContact O-N 3.13Å |
| 250 | I | 94.4 | Very high | 92.7 | Very high | 91 Ų | 91 | 99.2 Ų | 99.2 | 47% | 0.467 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -52.7 | 172 | -72.3 | 165.8 | 0 | 0 | 0 | 109.2 | F246 H252 L253 E254 | F246-I250 WeakPolarHBondContact O-CB 3.41Å; F246-I250 WeakPolarHBondContact O-CG1 3.46Å; F246-I250 PolarHBondContact O-N 3.15Å; I250-H252 VanDerWaalsContact C-N 3.27Å; I250-H252 PolarHBondContact O-N 3.48Å; I250-L253 PolarHBondContact O-N 3.3Å; I250-L253 VanDerWaalsContact O-N 3.08Å; I250-E254 HydrophobicContact CG2-CG 4.19Å; I250-E254 WeakPolarHBondContact O-CB 3.47Å; I250-E254 VanDerWaalsContact O-CG 3.31Å; I250-E254 WeakPolarHBondContact O-CG 3.48Å; I250-E254 PolarHBondContact O-N 2.99Å |
| 251 | R | 94 | Very high | 92.7 | Very high | 154 Ų | 154 | 103.4 Ų | 103.4 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -55.6 | -42.2 | 176.2 | -78.7 | -170.1 | -78.1 | -174.6 | -5.4 | 112.4 | K247 D248 Q255 | K247-R251 WeakPolarHBondContact O-CB 3.36Å; K247-R251 WeakPolarHBondContact O-CG 3.43Å; K247-R251 PolarHBondContact O-N 2.88Å; D248-R251 PolarHBondContact O-N 3.48Å; D248-R251 IonicContact OD1-CZ 3.48Å; D248-R251 IonicContact OD1-NE 2.62Å; D248-R251 IonicContact OD1-NH2 2.78Å; D248-R251 PolarHBondContact OD1-NH2 3.09Å; R251-Q255 WeakPolarHBondContact O-CB 3.19Å; R251-Q255 PolarHBondContact O-N 3.23Å |
| 252 | H | 94.4 | Very high | 92.7 | Very high | 91 Ų | 91 | 105.3 Ų | 105.3 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 177.8 | -176.5 | 63.7 | 0 | 0 | 0 | 112.8 | D248 K249 I250 Q255 K256 | D248-H252 VanDerWaalsContact O-CB 3.27Å; D248-H252 WeakPolarHBondContact O-CB 3.5Å; D248-H252 PolarHBondContact O-N 2.87Å; K249-H252 PolarHBondContact O-N 3.35Å; I250-H252 VanDerWaalsContact C-N 3.27Å; I250-H252 PolarHBondContact O-N 3.48Å; H252-Q255 PolarHBondContact O-N 2.73Å; H252-K256 WeakPolarHBondContact NE2-CE 3.48Å; H252-K256 PolarHBondContact NE2-NZ 3Å; H252-K256 WeakPolarHBondContact O-CB 3.3Å; H252-K256 PolarHBondContact O-N 3Å |
| 253 | L | 94.1 | Very high | 92.9 | Very high | 107 Ų | 107 | 110 Ų | 110 | 56% | 0.56 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.7 | -40.9 | 175.7 | -75.3 | 171.5 | 0 | 0 | 0 | 111.9 | K249 I250 Q255 K256 L257 | K249-L253 WeakPolarHBondContact O-CB 3.5Å; K249-L253 VanDerWaalsContact O-CG 3.25Å; K249-L253 WeakPolarHBondContact O-CG 3.44Å; K249-L253 PolarHBondContact O-N 3.13Å; I250-L253 PolarHBondContact O-N 3.3Å; I250-L253 VanDerWaalsContact O-N 3.08Å; L253-Q255 VanDerWaalsContact C-N 3.29Å; L253-Q255 PolarHBondContact O-N 3.33Å; L253-K256 PolarHBondContact O-N 3.09Å; L253-L257 VanDerWaalsContact O-CB 3.3Å; L253-L257 WeakPolarHBondContact O-CB 3.41Å; L253-L257 PolarHBondContact O-N 2.9Å |
| 254 | E | 94.7 | Very high | 93 | Very high | 120 Ų | 120 | 107.3 Ų | 107.3 | 56% | 0.561 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.1 | -44.5 | 172 | -73.6 | 172.9 | 161.7 | 0 | 0 | 110.5 | I250 L257 S258 | I250-E254 HydrophobicContact CG2-CG 4.19Å; I250-E254 WeakPolarHBondContact O-CB 3.47Å; I250-E254 VanDerWaalsContact O-CG 3.31Å; I250-E254 WeakPolarHBondContact O-CG 3.48Å; I250-E254 PolarHBondContact O-N 2.99Å; E254-L257 PolarHBondContact O-N 3.03Å; E254-S258 WeakPolarHBondContact O-CB 3.41Å; E254-S258 PolarHBondContact O-N 3.37Å |
| 255 | Q | 93.6 | Very high | 92.9 | Very high | 121 Ų | 121 | 107 Ų | 107 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.1 | -46.9 | 175.5 | -171.2 | 163.1 | 14.9 | 0 | 0 | 111.9 | R251 H252 L253 L257 S258 D259 | R251-Q255 WeakPolarHBondContact O-CB 3.19Å; R251-Q255 PolarHBondContact O-N 3.23Å; H252-Q255 PolarHBondContact O-N 2.73Å; L253-Q255 VanDerWaalsContact C-N 3.29Å; L253-Q255 PolarHBondContact O-N 3.33Å; Q255-L257 VanDerWaalsContact C-N 3.31Å; Q255-L257 PolarHBondContact O-N 3.39Å; Q255-S258 WeakPolarHBondContact O-CB 3.41Å; Q255-S258 PolarHBondContact O-N 3.37Å; Q255-D259 WeakPolarHBondContact O-CB 3.44Å; Q255-D259 VanDerWaalsContact O-CG 3.24Å; Q255-D259 PolarHBondContact O-N 2.87Å |
| 256 | K | 94.2 | Very high | 92.9 | Very high | 115 Ų | 115 | 105.6 Ų | 105.6 | 50% | 0.5 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 174.9 | -85.9 | 179.2 | 164.6 | 162.8 | 0 | 113.1 | H252 L253 A260 | H252-K256 WeakPolarHBondContact NE2-CE 3.48Å; H252-K256 PolarHBondContact NE2-NZ 3Å; H252-K256 WeakPolarHBondContact O-CB 3.3Å; H252-K256 PolarHBondContact O-N 3Å; L253-K256 PolarHBondContact O-N 3.09Å; K256-A260 WeakPolarHBondContact O-CB 3.46Å; K256-A260 PolarHBondContact O-N 3.46Å |
| 257 | L | 92.5 | Very high | 92.8 | Very high | 132 Ų | 132 | 103.6 Ų | 103.6 | 69% | 0.691 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67 | -44.8 | 177.3 | -167.6 | 88.7 | 0 | 0 | 0 | 110.3 | L253 E254 Q255 A260 F261 | L253-L257 VanDerWaalsContact O-CB 3.3Å; L253-L257 WeakPolarHBondContact O-CB 3.41Å; L253-L257 PolarHBondContact O-N 2.9Å; E254-L257 PolarHBondContact O-N 3.03Å; Q255-L257 VanDerWaalsContact C-N 3.31Å; Q255-L257 PolarHBondContact O-N 3.39Å; L257-A260 PolarHBondContact O-N 3.23Å; L257-F261 VanDerWaalsContact O-CB 3.28Å; L257-F261 WeakPolarHBondContact O-CB 3.38Å; L257-F261 PolarHBondContact O-N 3.46Å |
| 258 | S | 93.5 | Very high | 92.6 | Very high | 61 Ų | 61 | 104.6 Ų | 104.6 | 43% | 0.427 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 174.9 | -171.3 | 0 | 0 | 0 | 0 | 111.4 | E254 Q255 A260 F261 L262 | E254-S258 WeakPolarHBondContact O-CB 3.41Å; E254-S258 PolarHBondContact O-N 3.37Å; Q255-S258 WeakPolarHBondContact O-CB 3.41Å; Q255-S258 PolarHBondContact O-N 3.37Å; S258-A260 PolarHBondContact O-N 2.99Å; S258-F261 PolarHBondContact O-N 2.89Å; S258-L262 WeakPolarHBondContact O-CB 3.26Å; S258-L262 PolarHBondContact O-N 3Å |
| 259 | D | 92.3 | Very high | 92.5 | Very high | 87 Ų | 87 | 107.9 Ų | 107.9 | 47% | 0.465 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 177.9 | -69 | -17.9 | 0 | 0 | 0 | 111.7 | Q255 K263 | Q255-D259 WeakPolarHBondContact O-CB 3.44Å; Q255-D259 VanDerWaalsContact O-CG 3.24Å; Q255-D259 PolarHBondContact O-N 2.87Å; D259-K263 WeakPolarHBondContact O-CB 3.5Å; D259-K263 PolarHBondContact O-N 2.75Å |
| 260 | A | 92 | Very high | 92.3 | Very high | 59 Ų | 59 | 104.7 Ų | 104.7 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.2 | -38.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K256 L257 S258 K263 S264 | K256-A260 WeakPolarHBondContact O-CB 3.46Å; K256-A260 PolarHBondContact O-N 3.46Å; L257-A260 PolarHBondContact O-N 3.23Å; S258-A260 PolarHBondContact O-N 2.99Å; A260-K263 PolarHBondContact O-N 3.47Å; A260-S264 WeakPolarHBondContact O-CB 3.37Å; A260-S264 PolarHBondContact O-N 3.47Å |
| 261 | F | 91.9 | Very high | 92 | Very high | 134 Ų | 134 | 107 Ų | 107 | 59% | 0.588 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -51.4 | 175.7 | -177.2 | -93.3 | 0 | 0 | 0 | 110.9 | L257 S258 K263 S264 E265 | L257-F261 VanDerWaalsContact O-CB 3.28Å; L257-F261 WeakPolarHBondContact O-CB 3.38Å; L257-F261 PolarHBondContact O-N 3.46Å; S258-F261 PolarHBondContact O-N 2.89Å; F261-K263 VanDerWaalsContact C-N 3.28Å; F261-K263 PolarHBondContact O-N 3.27Å; F261-S264 PolarHBondContact O-N 3.48Å; F261-S264 VanDerWaalsContact O-N 3.13Å; F261-S264 PolarHBondContact O-OG 3.45Å; F261-E265 WeakPolarHBondContact O-CB 3.43Å; F261-E265 PolarHBondContact O-N 2.89Å |
| 262 | L | 90.9 | Very high | 91.7 | Very high | 108 Ų | 108 | 103.8 Ų | 103.8 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -55.4 | -43.6 | 174.4 | -85.2 | 156.8 | 0 | 0 | 0 | 111.5 | S258 N266 | S258-L262 WeakPolarHBondContact O-CB 3.26Å; S258-L262 PolarHBondContact O-N 3Å; L262-N266 VanDerWaalsContact O-CB 3.28Å; L262-N266 WeakPolarHBondContact O-CB 3.3Å; L262-N266 PolarHBondContact O-N 3.27Å |
| 263 | K | 92.7 | Very high | 91.4 | Very high | 143 Ų | 143 | 105.5 Ų | 105.5 | 62% | 0.622 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.7 | -44.7 | 176.2 | -171.2 | 175.4 | -178.7 | -177.6 | 0 | 111.9 | D259 A260 F261 E265 N266 D267 | D259-K263 WeakPolarHBondContact O-CB 3.5Å; D259-K263 PolarHBondContact O-N 2.75Å; A260-K263 PolarHBondContact O-N 3.47Å; F261-K263 VanDerWaalsContact C-N 3.28Å; F261-K263 PolarHBondContact O-N 3.27Å; K263-E265 VanDerWaalsContact C-N 3.35Å; K263-E265 PolarHBondContact O-N 2.95Å; K263-N266 PolarHBondContact O-N 3.46Å; K263-D267 WeakPolarHBondContact O-CB 3.47Å; K263-D267 VanDerWaalsContact O-CG 3.29Å; K263-D267 PolarHBondContact O-N 3.4Å |
| 264 | S | 90.3 | Very high | 91.1 | Very high | 62 Ų | 62 | 106 Ų | 106 | 43% | 0.434 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -36.3 | 178.8 | 86.7 | 0 | 0 | 0 | 0 | 112.6 | A260 F261 D267 R268 | A260-S264 WeakPolarHBondContact O-CB 3.37Å; A260-S264 PolarHBondContact O-N 3.47Å; F261-S264 PolarHBondContact O-N 3.48Å; F261-S264 VanDerWaalsContact O-N 3.13Å; F261-S264 PolarHBondContact O-OG 3.45Å; S264-D267 PolarHBondContact O-N 2.87Å; S264-R268 WeakPolarHBondContact O-CB 3.39Å; S264-R268 PolarHBondContact O-N 2.97Å |
| 265 | E | 91 | Very high | 90.7 | Very high | 75 Ų | 75 | 103.7 Ų | 103.7 | 35% | 0.35 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.1 | -37.2 | 177.2 | -164.2 | 64.9 | -169.1 | 0 | 0 | 110.5 | F261 K263 R268 Y269 | F261-E265 WeakPolarHBondContact O-CB 3.43Å; F261-E265 PolarHBondContact O-N 2.89Å; K263-E265 VanDerWaalsContact C-N 3.35Å; K263-E265 PolarHBondContact O-N 2.95Å; E265-R268 VanDerWaalsContact CD-NH1 3.29Å; E265-R268 PolarHBondContact O-N 3.4Å; E265-R268 IonicContact OE1-CZ 2.78Å; E265-R268 IonicContact OE1-NH1 3.79Å; E265-R268 PolarHBondContact OE1-NH1 3.19Å; E265-R268 IonicContact OE1-NH2 3.42Å; E265-R268 IonicContact OE2-CZ 3.36Å; E265-R268 IonicContact OE2-NH1 3.54Å; E265-R268 PolarHBondContact OE2-NH1 2.88Å; E265-Y269 VanDerWaalsContact O-CB 3.3Å; E265-Y269 WeakPolarHBondContact O-CB 3.25Å; E265-Y269 PolarHBondContact O-N 3.37Å |
| 266 | N | 91.1 | Very high | 90.2 | Very high | 91 Ų | 91 | 102.8 Ų | 102.8 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -45.3 | 172.4 | -161.5 | -26.7 | 0 | 0 | 0 | 111.4 | L262 K263 R268 Y269 I270 | L262-N266 VanDerWaalsContact O-CB 3.28Å; L262-N266 WeakPolarHBondContact O-CB 3.3Å; L262-N266 PolarHBondContact O-N 3.27Å; K263-N266 PolarHBondContact O-N 3.46Å; N266-R268 VanDerWaalsContact C-N 3.31Å; N266-R268 PolarHBondContact O-N 2.91Å; N266-Y269 PolarHBondContact O-N 3.42Å; N266-I270 WeakPolarHBondContact O-CB 3.46Å; N266-I270 VanDerWaalsContact O-CG1 3.26Å; N266-I270 WeakPolarHBondContact O-CG1 3.44Å; N266-I270 PolarHBondContact O-N 3.31Å; N266-I270 VanDerWaalsContact OD1-CD1 3.27Å; N266-I270 WeakPolarHBondContact OD1-CD1 3.39Å |
| 267 | D | 91.7 | Very high | 89.8 | Confident | 85 Ų | 85 | 104.5 Ų | 104.5 | 46% | 0.455 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 175.6 | -73.4 | -19.4 | 0 | 0 | 0 | 111.7 | K263 S264 K271 | K263-D267 WeakPolarHBondContact O-CB 3.47Å; K263-D267 VanDerWaalsContact O-CG 3.29Å; K263-D267 PolarHBondContact O-N 3.4Å; S264-D267 PolarHBondContact O-N 2.87Å; D267-K271 WeakPolarHBondContact O-CB 3.33Å; D267-K271 WeakPolarHBondContact O-CG 3.29Å; D267-K271 PolarHBondContact O-N 3.37Å |
| 268 | R | 88.9 | Confident | 89.5 | Confident | 138 Ų | 138 | 102.8 Ų | 102.8 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -45.9 | 174.7 | -171.8 | 176 | 124.6 | -134.9 | -7.3 | 111.3 | S264 E265 N266 I270 K271 D272 | S264-R268 WeakPolarHBondContact O-CB 3.39Å; S264-R268 PolarHBondContact O-N 2.97Å; E265-R268 VanDerWaalsContact CD-NH1 3.29Å; E265-R268 PolarHBondContact O-N 3.4Å; E265-R268 IonicContact OE1-CZ 2.78Å; E265-R268 IonicContact OE1-NH1 3.79Å; E265-R268 PolarHBondContact OE1-NH1 3.19Å; E265-R268 IonicContact OE1-NH2 3.42Å; E265-R268 IonicContact OE2-CZ 3.36Å; E265-R268 IonicContact OE2-NH1 3.54Å; E265-R268 PolarHBondContact OE2-NH1 2.88Å; N266-R268 VanDerWaalsContact C-N 3.31Å; N266-R268 PolarHBondContact O-N 2.91Å; R268-I270 VanDerWaalsContact C-N 3.34Å; R268-I270 PolarHBondContact O-N 3.34Å; R268-K271 PolarHBondContact O-N 3.22Å; R268-D272 PolarHBondContact O-N 3Å |
| 269 | Y | 90.5 | Very high | 89 | Confident | 151 Ų | 151 | 104 Ų | 104 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -59.2 | -44.1 | 175.5 | 178.9 | -96.6 | 0 | 0 | 0 | 112.1 | E265 N266 D272 K273 | E265-Y269 VanDerWaalsContact O-CB 3.3Å; E265-Y269 WeakPolarHBondContact O-CB 3.25Å; E265-Y269 PolarHBondContact O-N 3.37Å; N266-Y269 PolarHBondContact O-N 3.42Å; Y269-D272 PolarHBondContact O-N 2.97Å; Y269-K273 HydrophobicContact CE1-CG 4.38Å; Y269-K273 WeakPolarHBondContact O-CB 3.47Å; Y269-K273 PolarHBondContact O-N 3.43Å |
| 270 | I | 89.9 | Confident | 88.6 | Confident | 74 Ų | 74 | 103.4 Ų | 103.4 | 38% | 0.379 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 176 | -69.4 | 168.5 | 0 | 0 | 0 | 110.5 | N266 R268 K273 Q274 | N266-I270 WeakPolarHBondContact O-CB 3.46Å; N266-I270 VanDerWaalsContact O-CG1 3.26Å; N266-I270 WeakPolarHBondContact O-CG1 3.44Å; N266-I270 PolarHBondContact O-N 3.31Å; N266-I270 VanDerWaalsContact OD1-CD1 3.27Å; N266-I270 WeakPolarHBondContact OD1-CD1 3.39Å; R268-I270 VanDerWaalsContact C-N 3.34Å; R268-I270 PolarHBondContact O-N 3.34Å; I270-K273 WeakPolarHBondContact O-CB 3.29Å; I270-K273 PolarHBondContact O-N 2.98Å; I270-Q274 HydrophobicContact CG2-CG 4.44Å; I270-Q274 WeakPolarHBondContact O-CB 3.49Å; I270-Q274 WeakPolarHBondContact O-CG 3.32Å; I270-Q274 PolarHBondContact O-N 3.49Å |
| 271 | K | 88.4 | Confident | 88.1 | Confident | 140 Ų | 140 | 105 Ų | 105 | 61% | 0.609 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -44.8 | 176.4 | -84.8 | -176.1 | 178 | -179.8 | 0 | 112.4 | D267 R268 K273 Q274 T275 | D267-K271 WeakPolarHBondContact O-CB 3.33Å; D267-K271 WeakPolarHBondContact O-CG 3.29Å; D267-K271 PolarHBondContact O-N 3.37Å; R268-K271 PolarHBondContact O-N 3.22Å; K271-K273 VanDerWaalsContact C-N 3.32Å; K271-K273 PolarHBondContact O-N 2.88Å; K271-Q274 PolarHBondContact O-N 3.29Å; K271-T275 WeakPolarHBondContact O-CB 3.37Å; K271-T275 PolarHBondContact O-N 3.39Å; K271-T275 PolarHBondContact O-OG1 2.85Å |
| 272 | D | 86.5 | Confident | 87.7 | Confident | 85 Ų | 85 | 104.2 Ų | 104.2 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 176.9 | -74.5 | -10.4 | 0 | 0 | 0 | 109.9 | R268 Y269 Q274 T275 D276 | R268-D272 PolarHBondContact O-N 3Å; Y269-D272 PolarHBondContact O-N 2.97Å; D272-Q274 VanDerWaalsContact C-N 3.34Å; D272-Q274 PolarHBondContact O-N 3.03Å; D272-T275 PolarHBondContact O-N 3.21Å; D272-T275 VanDerWaalsContact O-N 3.15Å; D272-D276 PolarHBondContact O-N 3.43Å |
| 273 | K | 88.5 | Confident | 87.4 | Confident | 128 Ų | 128 | 106.7 Ų | 106.7 | 56% | 0.557 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.1 | -40.5 | 174.1 | -103.3 | -73.8 | -178 | -173.5 | 0 | 113.6 | Y269 I270 K271 K277 | Y269-K273 HydrophobicContact CE1-CG 4.38Å; Y269-K273 WeakPolarHBondContact O-CB 3.47Å; Y269-K273 PolarHBondContact O-N 3.43Å; I270-K273 WeakPolarHBondContact O-CB 3.29Å; I270-K273 PolarHBondContact O-N 2.98Å; K271-K273 VanDerWaalsContact C-N 3.32Å; K271-K273 PolarHBondContact O-N 2.88Å; K273-K277 WeakPolarHBondContact O-CB 3.26Å; K273-K277 PolarHBondContact O-N 3.02Å |
| 274 | Q | 89.1 | Confident | 87 | Confident | 117 Ų | 117 | 105.2 Ų | 105.2 | 55% | 0.547 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.9 | -38.8 | 176.5 | -79.6 | -179 | -19.9 | 0 | 0 | 111.5 | I270 K271 D272 K277 N278 | I270-Q274 HydrophobicContact CG2-CG 4.44Å; I270-Q274 WeakPolarHBondContact O-CB 3.49Å; I270-Q274 WeakPolarHBondContact O-CG 3.32Å; I270-Q274 PolarHBondContact O-N 3.49Å; K271-Q274 PolarHBondContact O-N 3.29Å; D272-Q274 VanDerWaalsContact C-N 3.34Å; D272-Q274 PolarHBondContact O-N 3.03Å; Q274-K277 PolarHBondContact O-N 3.37Å; Q274-N278 WeakPolarHBondContact O-CB 3.18Å; Q274-N278 PolarHBondContact O-N 3.41Å |
| 275 | T | 85.8 | Confident | 86.6 | Confident | 71 Ų | 71 | 107.3 Ų | 107.3 | 44% | 0.436 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.2 | -46.4 | 179.2 | -48.9 | 0 | 0 | 0 | 0 | 110.2 | K271 D272 K277 N278 D279 | K271-T275 WeakPolarHBondContact O-CB 3.37Å; K271-T275 PolarHBondContact O-N 3.39Å; K271-T275 PolarHBondContact O-OG1 2.85Å; D272-T275 PolarHBondContact O-N 3.21Å; D272-T275 VanDerWaalsContact O-N 3.15Å; T275-K277 VanDerWaalsContact C-N 3.25Å; T275-K277 PolarHBondContact O-N 2.88Å; T275-N278 PolarHBondContact O-N 3.03Å; T275-N278 VanDerWaalsContact O-N 3.16Å; T275-D279 PolarHBondContact O-N 3.14Å |
| 276 | D | 82.8 | Confident | 86.3 | Confident | 102 Ų | 102 | 107.5 Ų | 107.5 | 55% | 0.545 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.8 | -38.8 | 173.9 | -74 | -18.1 | 0 | 0 | 0 | 112.5 | D272 S280 | D272-D276 PolarHBondContact O-N 3.43Å; D276-S280 WeakPolarHBondContact O-CB 3.45Å; D276-S280 PolarHBondContact O-N 3.48Å; D276-S280 PolarHBondContact O-OG 3.39Å |
| 277 | K | 84.9 | Confident | 85.9 | Confident | 151 Ų | 151 | 110.7 Ų | 110.7 | 66% | 0.657 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -73.1 | -38.8 | 178.8 | -154.8 | 172.6 | -173 | -179.3 | 0 | 111.5 | K273 Q274 T275 S280 L281 | K273-K277 WeakPolarHBondContact O-CB 3.26Å; K273-K277 PolarHBondContact O-N 3.02Å; Q274-K277 PolarHBondContact O-N 3.37Å; T275-K277 VanDerWaalsContact C-N 3.25Å; T275-K277 PolarHBondContact O-N 2.88Å; K277-S280 PolarHBondContact O-N 3.36Å; K277-L281 WeakPolarHBondContact O-CB 3.42Å; K277-L281 WeakPolarHBondContact O-CG 3.5Å; K277-L281 PolarHBondContact O-N 2.98Å |
| 278 | N | 86.3 | Confident | 85.5 | Confident | 97 Ų | 97 | 110.2 Ų | 110.2 | 52% | 0.519 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 172.8 | -85.2 | -10.1 | 0 | 0 | 0 | 111.3 | Q274 T275 S280 L281 L282 | Q274-N278 WeakPolarHBondContact O-CB 3.18Å; Q274-N278 PolarHBondContact O-N 3.41Å; T275-N278 PolarHBondContact O-N 3.03Å; T275-N278 VanDerWaalsContact O-N 3.16Å; N278-S280 VanDerWaalsContact C-N 3.28Å; N278-S280 PolarHBondContact O-N 3.16Å; N278-L281 CarbonylContact O-C 3.55Å; N278-L281 PolarHBondContact O-N 2.97Å; N278-L282 VanDerWaalsContact O-CB 3.32Å; N278-L282 WeakPolarHBondContact O-CB 3.32Å; N278-L282 PolarHBondContact O-N 3.39Å |
| 279 | D | 84 | Confident | 85.1 | Confident | 85 Ų | 85 | 106.5 Ų | 106.5 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -37 | 176.2 | -79 | -8 | 0 | 0 | 0 | 111.8 | T275 L282 K283 | T275-D279 PolarHBondContact O-N 3.14Å; D279-L282 PolarHBondContact O-N 2.93Å; D279-K283 WeakPolarHBondContact O-CB 3.46Å; D279-K283 WeakPolarHBondContact O-CG 3.32Å; D279-K283 PolarHBondContact O-N 3.31Å |
| 280 | S | 82.8 | Confident | 84.7 | Confident | 76 Ų | 76 | 104 Ų | 104 | 53% | 0.531 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 173.3 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | D276 K277 N278 L282 K283 E284 | D276-S280 WeakPolarHBondContact O-CB 3.45Å; D276-S280 PolarHBondContact O-N 3.48Å; D276-S280 PolarHBondContact O-OG 3.39Å; K277-S280 PolarHBondContact O-N 3.36Å; N278-S280 VanDerWaalsContact C-N 3.28Å; N278-S280 PolarHBondContact O-N 3.16Å; S280-L282 VanDerWaalsContact C-N 3.34Å; S280-L282 PolarHBondContact O-N 3.31Å; S280-K283 PolarHBondContact O-N 3.17Å; S280-E284 PolarHBondContact O-N 3Å |
| 281 | L | 83 | Confident | 84.5 | Confident | 92 Ų | 92 | 105.1 Ų | 105.1 | 48% | 0.482 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.9 | -37.5 | 175.6 | -74.9 | 169.3 | 0 | 0 | 0 | 112 | K277 N278 E284 N285 | K277-L281 WeakPolarHBondContact O-CB 3.42Å; K277-L281 WeakPolarHBondContact O-CG 3.5Å; K277-L281 PolarHBondContact O-N 2.98Å; N278-L281 CarbonylContact O-C 3.55Å; N278-L281 PolarHBondContact O-N 2.97Å; L281-E284 PolarHBondContact O-N 3.23Å; L281-N285 VanDerWaalsContact O-CB 3.27Å; L281-N285 WeakPolarHBondContact O-CB 3.32Å; L281-N285 PolarHBondContact O-N 3.42Å |
| 282 | L | 83.7 | Confident | 84 | Confident | 117 Ų | 117 | 104.1 Ų | 104.1 | 61% | 0.613 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.5 | -42.8 | 178.9 | -140.9 | 112.5 | 0 | 0 | 0 | 110.5 | N278 D279 S280 N285 V286 | N278-L282 VanDerWaalsContact O-CB 3.32Å; N278-L282 WeakPolarHBondContact O-CB 3.32Å; N278-L282 PolarHBondContact O-N 3.39Å; D279-L282 PolarHBondContact O-N 2.93Å; S280-L282 VanDerWaalsContact C-N 3.34Å; S280-L282 PolarHBondContact O-N 3.31Å; L282-N285 PolarHBondContact O-N 3.46Å; L282-V286 WeakPolarHBondContact O-CB 3.3Å; L282-V286 VanDerWaalsContact O-CG2 3.28Å; L282-V286 WeakPolarHBondContact O-CG2 3.42Å; L282-V286 PolarHBondContact O-N 3.49Å |
| 283 | K | 84.3 | Confident | 83.8 | Confident | 161 Ų | 161 | 104.3 Ų | 104.3 | 70% | 0.7 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.6 | -43.5 | 173.8 | -76.8 | 174.3 | -177.1 | 172.4 | 0 | 111.9 | D279 S280 V286 Y287 | D279-K283 WeakPolarHBondContact O-CB 3.46Å; D279-K283 WeakPolarHBondContact O-CG 3.32Å; D279-K283 PolarHBondContact O-N 3.31Å; S280-K283 PolarHBondContact O-N 3.17Å; K283-V286 PolarHBondContact O-N 3.43Å; K283-Y287 WeakPolarHBondContact O-CB 3.46Å; K283-Y287 PolarHBondContact O-N 2.91Å |
| 284 | E | 83.6 | Confident | 83.4 | Confident | 112 Ų | 112 | 105.3 Ų | 105.3 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.3 | -173.3 | 174.5 | -165 | 0 | 0 | 111.6 | S280 L281 Y287 L288 | S280-E284 PolarHBondContact O-N 3Å; L281-E284 PolarHBondContact O-N 3.23Å; E284-Y287 WeakPolarHBondContact O-CB 3.35Å; E284-Y287 PolarHBondContact O-N 3Å; E284-Y287 VanDerWaalsContact O-N 3.16Å; E284-L288 HydrophobicContact CG-CD1 4.09Å; E284-L288 HydrophobicContact CG-CG 4.48Å; E284-L288 WeakPolarHBondContact O-CB 3.5Å; E284-L288 WeakPolarHBondContact O-CG 3.37Å; E284-L288 PolarHBondContact O-N 2.99Å |
| 285 | N | 82.1 | Confident | 82.8 | Confident | 105 Ų | 105 | 104.6 Ų | 104.6 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.1 | -36.6 | 179.6 | -147.1 | -14.2 | 0 | 0 | 0 | 112 | L281 L282 Y287 S289 | L281-N285 VanDerWaalsContact O-CB 3.27Å; L281-N285 WeakPolarHBondContact O-CB 3.32Å; L281-N285 PolarHBondContact O-N 3.42Å; L282-N285 PolarHBondContact O-N 3.46Å; N285-Y287 VanDerWaalsContact C-N 3.33Å; N285-S289 WeakPolarHBondContact O-CB 3.24Å; N285-S289 PolarHBondContact O-N 3.26Å; N285-S289 PolarHBondContact O-OG 2.98Å |
| 286 | V | 83.6 | Confident | 82.4 | Confident | 80 Ų | 80 | 108.7 Ų | 108.7 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64 | -40 | 170.3 | 169.6 | 0 | 0 | 0 | 0 | 110.9 | L282 K283 N290 | L282-V286 WeakPolarHBondContact O-CB 3.3Å; L282-V286 VanDerWaalsContact O-CG2 3.28Å; L282-V286 WeakPolarHBondContact O-CG2 3.42Å; L282-V286 PolarHBondContact O-N 3.49Å; K283-V286 PolarHBondContact O-N 3.43Å; V286-N290 WeakPolarHBondContact O-CB 3.38Å; V286-N290 PolarHBondContact O-N 3.04Å; V286-N290 VanDerWaalsContact O-N 3.08Å; V286-N290 PolarHBondContact O-ND2 2.96Å; V286-N290 VanDerWaalsContact O-ND2 3.17Å |
| 287 | Y | 84.3 | Confident | 82.2 | Confident | 157 Ų | 157 | 110 Ų | 110 | 62% | 0.616 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -50.1 | 175.8 | 179.2 | -96 | 0 | 0 | 0 | 111.9 | K283 E284 N285 S289 N290 E291 | K283-Y287 WeakPolarHBondContact O-CB 3.46Å; K283-Y287 PolarHBondContact O-N 2.91Å; E284-Y287 WeakPolarHBondContact O-CB 3.35Å; E284-Y287 PolarHBondContact O-N 3Å; E284-Y287 VanDerWaalsContact O-N 3.16Å; N285-Y287 VanDerWaalsContact C-N 3.33Å; Y287-S289 PolarHBondContact O-N 3.16Å; Y287-N290 PolarHBondContact O-N 2.92Å; Y287-E291 PolarHBondContact O-N 3.39Å |
| 288 | L | 81.6 | Confident | 81.8 | Confident | 75 Ų | 75 | 108 Ų | 108 | 39% | 0.393 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -39.2 | 177.9 | -71.5 | 171.2 | 0 | 0 | 0 | 112.2 | E284 N290 E291 L292 | E284-L288 HydrophobicContact CG-CD1 4.09Å; E284-L288 HydrophobicContact CG-CG 4.48Å; E284-L288 WeakPolarHBondContact O-CB 3.5Å; E284-L288 WeakPolarHBondContact O-CG 3.37Å; E284-L288 PolarHBondContact O-N 2.99Å; L288-N290 VanDerWaalsContact C-N 3.34Å; L288-N290 PolarHBondContact O-N 3.27Å; L288-E291 PolarHBondContact O-N 2.9Å; L288-L292 WeakPolarHBondContact O-CB 3.34Å; L288-L292 PolarHBondContact O-N 2.82Å |
| 289 | S | 82.2 | Confident | 81.3 | Confident | 61 Ų | 61 | 106 Ų | 106 | 43% | 0.427 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 175.7 | -63.9 | 0 | 0 | 0 | 0 | 111.7 | N285 Y287 E291 L292 E293 | N285-S289 WeakPolarHBondContact O-CB 3.24Å; N285-S289 PolarHBondContact O-N 3.26Å; N285-S289 PolarHBondContact O-OG 2.98Å; Y287-S289 PolarHBondContact O-N 3.16Å; S289-E291 VanDerWaalsContact C-N 3.32Å; S289-E291 PolarHBondContact O-N 3.3Å; S289-L292 PolarHBondContact O-N 3.28Å; S289-E293 WeakPolarHBondContact O-CB 3.19Å; S289-E293 PolarHBondContact O-N 3.17Å |
| 290 | N | 82.3 | Confident | 80.8 | Confident | 98 Ų | 98 | 107 Ų | 107 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.4 | -33 | 175.1 | -77 | -32.2 | 0 | 0 | 0 | 112.6 | V286 Y287 L288 K294 | V286-N290 WeakPolarHBondContact O-CB 3.38Å; V286-N290 PolarHBondContact O-N 3.04Å; V286-N290 VanDerWaalsContact O-N 3.08Å; V286-N290 PolarHBondContact O-ND2 2.96Å; V286-N290 VanDerWaalsContact O-ND2 3.17Å; Y287-N290 PolarHBondContact O-N 2.92Å; L288-N290 VanDerWaalsContact C-N 3.34Å; L288-N290 PolarHBondContact O-N 3.27Å; N290-K294 WeakPolarHBondContact O-CG 3.35Å; N290-K294 PolarHBondContact O-N 3.41Å |
| 291 | E | 85.5 | Confident | 80.4 | Confident | 97 Ų | 97 | 109.7 Ų | 109.7 | 45% | 0.453 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72 | -42.3 | 176 | -150 | -168.3 | -160.9 | 0 | 0 | 111.7 | Y287 L288 S289 E293 K294 L295 | Y287-E291 PolarHBondContact O-N 3.39Å; L288-E291 PolarHBondContact O-N 2.9Å; S289-E291 VanDerWaalsContact C-N 3.32Å; S289-E291 PolarHBondContact O-N 3.3Å; E291-E293 VanDerWaalsContact C-N 3.33Å; E291-E293 PolarHBondContact O-N 3.06Å; E291-K294 WeakPolarHBondContact O-CB 3.23Å; E291-K294 PolarHBondContact O-N 3.32Å; E291-L295 PolarHBondContact O-N 2.91Å |
| 292 | L | 78 | Confident | 80.1 | Confident | 119 Ų | 119 | 109.1 Ų | 109.1 | 62% | 0.623 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.1 | -41.9 | 173.1 | -81.1 | 171.9 | 0 | 0 | 0 | 112 | L288 S289 K294 L295 R296 | L288-L292 WeakPolarHBondContact O-CB 3.34Å; L288-L292 PolarHBondContact O-N 2.82Å; S289-L292 PolarHBondContact O-N 3.28Å; L292-K294 VanDerWaalsContact C-N 3.33Å; L292-K294 PolarHBondContact O-N 2.93Å; L292-L295 PolarHBondContact O-N 2.99Å; L292-R296 VanDerWaalsContact O-CB 3.29Å; L292-R296 WeakPolarHBondContact O-CB 3.24Å; L292-R296 PolarHBondContact O-N 3.2Å |
| 293 | E | 82 | Confident | 79.5 | Confident | 90 Ų | 90 | 109.3 Ų | 109.3 | 42% | 0.421 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 177.4 | -173.8 | 61.6 | -160.3 | 0 | 0 | 112 | S289 E291 K297 | S289-E293 WeakPolarHBondContact O-CB 3.19Å; S289-E293 PolarHBondContact O-N 3.17Å; E291-E293 VanDerWaalsContact C-N 3.33Å; E291-E293 PolarHBondContact O-N 3.06Å; E293-K297 WeakPolarHBondContact O-CG 3.38Å; E293-K297 PolarHBondContact O-N 2.89Å |
| 294 | K | 79.1 | Confident | 78.9 | Confident | 149 Ų | 149 | 104.6 Ų | 104.6 | 65% | 0.648 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.1 | -45.1 | 173.2 | -76.9 | 177.5 | -179.8 | 178.6 | 0 | 112.1 | N290 E291 L292 R296 K297 L298 | N290-K294 WeakPolarHBondContact O-CG 3.35Å; N290-K294 PolarHBondContact O-N 3.41Å; E291-K294 WeakPolarHBondContact O-CB 3.23Å; E291-K294 PolarHBondContact O-N 3.32Å; L292-K294 VanDerWaalsContact C-N 3.33Å; L292-K294 PolarHBondContact O-N 2.93Å; K294-R296 VanDerWaalsContact C-N 3.3Å; K294-R296 PolarHBondContact O-N 2.85Å; K294-K297 PolarHBondContact O-N 2.72Å; K294-L298 PolarHBondContact O-N 2.91Å |
| 295 | L | 76.1 | Confident | 78.3 | Confident | 102 Ų | 102 | 104.8 Ų | 104.8 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -38.8 | 177.5 | -75.9 | 169.3 | 0 | 0 | 0 | 111.5 | E291 L292 L298 A299 | E291-L295 PolarHBondContact O-N 2.91Å; L292-L295 PolarHBondContact O-N 2.99Å; L295-L298 PolarHBondContact O-N 3.34Å; L295-A299 PolarHBondContact O-N 3.4Å |
| 296 | R | 78 | Confident | 77.9 | Confident | 156 Ų | 156 | 106.3 Ų | 106.3 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.2 | -45.8 | 175.2 | -171.5 | -179.6 | 178.4 | 156.6 | 5.2 | 111.8 | L292 K294 L298 A299 E300 | L292-R296 VanDerWaalsContact O-CB 3.29Å; L292-R296 WeakPolarHBondContact O-CB 3.24Å; L292-R296 PolarHBondContact O-N 3.2Å; K294-R296 VanDerWaalsContact C-N 3.3Å; K294-R296 PolarHBondContact O-N 2.85Å; R296-L298 PolarHBondContact O-N 2.97Å; R296-A299 PolarHBondContact O-N 2.93Å; R296-E300 IonicContact NE-OE1 3.43Å; R296-E300 PolarHBondContact NE-OE1 3.27Å; R296-E300 PolarHBondContact O-N 3.49Å |
| 297 | K | 78.2 | Confident | 77.1 | Confident | 130 Ų | 130 | 107.7 Ų | 107.7 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.9 | -42.4 | 175.2 | -76.5 | -179.4 | 179.9 | -179.8 | 0 | 112.7 | E293 K294 A299 E300 E301 | E293-K297 WeakPolarHBondContact O-CG 3.38Å; E293-K297 PolarHBondContact O-N 2.89Å; K294-K297 PolarHBondContact O-N 2.72Å; K297-A299 VanDerWaalsContact C-N 3.32Å; K297-A299 PolarHBondContact O-N 3.45Å; K297-E300 PolarHBondContact O-N 3.37Å; K297-E301 WeakPolarHBondContact O-CB 3.45Å; K297-E301 PolarHBondContact O-N 3.48Å |
| 298 | L | 77.4 | Confident | 76.4 | Confident | 108 Ų | 108 | 109.2 Ų | 109.2 | 57% | 0.565 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.3 | -38.9 | 174.8 | -94.7 | 156.4 | 0 | 0 | 0 | 112.4 | K294 L295 R296 S302 | K294-L298 PolarHBondContact O-N 2.91Å; L295-L298 PolarHBondContact O-N 3.34Å; R296-L298 PolarHBondContact O-N 2.97Å; L298-S302 WeakPolarHBondContact O-CB 3.47Å; L298-S302 PolarHBondContact O-N 3.37Å |
| 299 | A | 74.9 | Confident | 76 | Confident | 57 Ų | 57 | 109.1 Ų | 109.1 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L295 R296 K297 E301 S302 Q303 | L295-A299 PolarHBondContact O-N 3.4Å; R296-A299 PolarHBondContact O-N 2.93Å; K297-A299 VanDerWaalsContact C-N 3.32Å; K297-A299 PolarHBondContact O-N 3.45Å; A299-E301 VanDerWaalsContact C-N 3.32Å; A299-E301 PolarHBondContact O-N 3.15Å; A299-S302 WeakPolarHBondContact O-CB 3.33Å; A299-S302 PolarHBondContact O-N 2.92Å; A299-Q303 WeakPolarHBondContact O-CB 3.4Å; A299-Q303 PolarHBondContact O-N 2.59Å |
| 300 | E | 74.1 | Confident | 75.2 | Confident | 106 Ų | 106 | 110.7 Ų | 110.7 | 50% | 0.495 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.7 | -38.7 | 175.1 | -75.8 | 172.6 | -171.4 | 0 | 0 | 111.6 | R296 K297 Q303 S304 | R296-E300 IonicContact NE-OE1 3.43Å; R296-E300 PolarHBondContact NE-OE1 3.27Å; R296-E300 PolarHBondContact O-N 3.49Å; K297-E300 PolarHBondContact O-N 3.37Å; E300-Q303 PolarHBondContact O-N 2.85Å; E300-S304 WeakPolarHBondContact O-CB 3.14Å; E300-S304 PolarHBondContact O-N 2.95Å |
| 301 | E | 75.5 | Confident | 74.5 | Confident | 132 Ų | 132 | 113.7 Ų | 113.7 | 62% | 0.617 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.4 | -42.2 | 176.4 | -143.9 | 171.9 | -159.9 | 0 | 0 | 112 | K297 A299 Q303 S304 L305 | K297-E301 WeakPolarHBondContact O-CB 3.45Å; K297-E301 PolarHBondContact O-N 3.48Å; A299-E301 VanDerWaalsContact C-N 3.32Å; A299-E301 PolarHBondContact O-N 3.15Å; E301-Q303 VanDerWaalsContact C-N 3.35Å; E301-Q303 PolarHBondContact O-N 3.34Å; E301-S304 PolarHBondContact O-N 3.4Å; E301-L305 WeakPolarHBondContact O-CG 3.24Å; E301-L305 PolarHBondContact O-N 2.91Å |
| 302 | S | 75.3 | Confident | 73.7 | Confident | 80 Ų | 80 | 116.1 Ų | 116.1 | 56% | 0.559 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.3 | -41.3 | 172.8 | 175.6 | 0 | 0 | 0 | 0 | 112.3 | L298 A299 L305 F306 | L298-S302 WeakPolarHBondContact O-CB 3.47Å; L298-S302 PolarHBondContact O-N 3.37Å; A299-S302 WeakPolarHBondContact O-CB 3.33Å; A299-S302 PolarHBondContact O-N 2.92Å; S302-L305 PolarHBondContact O-N 2.98Å; S302-F306 PolarHBondContact O-N 3.3Å; S302-F306 VanDerWaalsContact O-N 3.07Å |
| 303 | Q | 72 | Confident | 73.2 | Confident | 121 Ų | 121 | 115.9 Ų | 115.9 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.4 | -40.6 | -179.7 | -169.6 | 161.2 | -0 | 0 | 0 | 111.3 | A299 E300 E301 L305 F306 E307 | A299-Q303 WeakPolarHBondContact O-CB 3.4Å; A299-Q303 PolarHBondContact O-N 2.59Å; E300-Q303 PolarHBondContact O-N 2.85Å; E301-Q303 VanDerWaalsContact C-N 3.35Å; E301-Q303 PolarHBondContact O-N 3.34Å; Q303-L305 VanDerWaalsContact C-N 3.33Å; Q303-L305 PolarHBondContact O-N 3.16Å; Q303-F306 WeakPolarHBondContact O-CB 2.9Å; Q303-F306 PolarHBondContact O-N 3.27Å; Q303-E307 PolarHBondContact O-N 3.18Å |
| 304 | S | 71.5 | Confident | 72.6 | Confident | 61 Ų | 61 | 115.5 Ų | 115.5 | 43% | 0.427 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.1 | -36.3 | 175 | -164.8 | 0 | 0 | 0 | 0 | 112.8 | E300 E301 R308 | E300-S304 WeakPolarHBondContact O-CB 3.14Å; E300-S304 PolarHBondContact O-N 2.95Å; E301-S304 PolarHBondContact O-N 3.4Å; S304-R308 PolarHBondContact O-N 2.93Å; S304-R308 VanDerWaalsContact O-N 3.08Å |
| 305 | L | 70 | Confident | 72.3 | Confident | 117 Ų | 117 | 114.6 Ų | 114.6 | 61% | 0.613 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.9 | -38.2 | 173.2 | -76.2 | 171 | 0 | 0 | 0 | 112.5 | E301 S302 Q303 S309 | E301-L305 WeakPolarHBondContact O-CG 3.24Å; E301-L305 PolarHBondContact O-N 2.91Å; S302-L305 PolarHBondContact O-N 2.98Å; Q303-L305 VanDerWaalsContact C-N 3.33Å; Q303-L305 PolarHBondContact O-N 3.16Å; L305-S309 PolarHBondContact O-N 3.5Å; L305-S309 VanDerWaalsContact O-N 3.12Å |
| 306 | F | 74.4 | Confident | 72.2 | Confident | 136 Ų | 136 | 114.6 Ų | 114.6 | 60% | 0.596 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.1 | -44 | 175.1 | -176.2 | -98.6 | 0 | 0 | 0 | 111.9 | S302 Q303 S309 Q310 | S302-F306 PolarHBondContact O-N 3.3Å; S302-F306 VanDerWaalsContact O-N 3.07Å; Q303-F306 WeakPolarHBondContact O-CB 2.9Å; Q303-F306 PolarHBondContact O-N 3.27Å; F306-S309 WeakPolarHBondContact O-CB 3.39Å; F306-S309 PolarHBondContact O-N 3.25Å; F306-Q310 HydrophobicContact CE1-CG 4.2Å; F306-Q310 HydrophobicContact CZ-CG 4.4Å; F306-Q310 PolarHBondContact O-N 3.33Å |
| 307 | E | 67 | Low | 71.8 | Confident | 110 Ų | 110 | 111.9 Ų | 111.9 | 51% | 0.514 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.4 | -41 | 177.6 | -73.1 | 178.1 | -179.5 | 0 | 0 | 112.6 | Q303 S309 Q310 F311 | Q303-E307 PolarHBondContact O-N 3.18Å; E307-S309 VanDerWaalsContact C-N 3.33Å; E307-S309 PolarHBondContact O-N 3.45Å; E307-Q310 PolarHBondContact O-N 3Å; E307-F311 PolarHBondContact O-N 3.14Å |
| 308 | R | 69 | Low | 71.5 | Confident | 189 Ų | 189 | 108.4 Ų | 108.4 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.4 | -37.9 | 173.9 | -96.7 | 179.3 | 169.9 | 156.1 | -1.4 | 113 | S304 K312 | S304-R308 PolarHBondContact O-N 2.93Å; S304-R308 VanDerWaalsContact O-N 3.08Å; R308-K312 PolarHBondContact O-N 2.95Å |
| 309 | S | 72.7 | Confident | 71.1 | Confident | 72 Ų | 72 | 109.1 Ų | 109.1 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.8 | -44.6 | 176 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | L305 F306 E307 K312 Q313 | L305-S309 PolarHBondContact O-N 3.5Å; L305-S309 VanDerWaalsContact O-N 3.12Å; F306-S309 WeakPolarHBondContact O-CB 3.39Å; F306-S309 PolarHBondContact O-N 3.25Å; E307-S309 VanDerWaalsContact C-N 3.33Å; E307-S309 PolarHBondContact O-N 3.45Å; S309-K312 PolarHBondContact O-N 2.99Å; S309-Q313 WeakPolarHBondContact O-CB 3.13Å; S309-Q313 PolarHBondContact O-N 2.89Å |
| 310 | Q | 67.1 | Low | 71.2 | Confident | 94 Ų | 94 | 112 Ų | 112 | 44% | 0.439 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.2 | -44.1 | 176.4 | -92.4 | -80.1 | -12.9 | 0 | 0 | 111.9 | F306 E307 K312 Q313 T314 | F306-Q310 HydrophobicContact CE1-CG 4.2Å; F306-Q310 HydrophobicContact CZ-CG 4.4Å; F306-Q310 PolarHBondContact O-N 3.33Å; E307-Q310 PolarHBondContact O-N 3Å; Q310-K312 PolarHBondContact O-N 2.91Å; Q310-Q313 PolarHBondContact O-N 3.38Å; Q310-T314 PolarHBondContact O-N 2.9Å; Q310-T314 PolarHBondContact O-OG1 2.93Å |
| 311 | F | 66.9 | Low | 71.2 | Confident | 162 Ų | 162 | 111.7 Ų | 111.7 | 71% | 0.711 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59 | -46.3 | 177.4 | -111.4 | -80.8 | 0 | 0 | 0 | 112.4 | E307 Q313 T314 E315 | E307-F311 PolarHBondContact O-N 3.14Å; F311-Q313 PolarHBondContact O-N 3.4Å; F311-T314 PolarHBondContact O-N 3.01Å; F311-E315 PolarHBondContact O-N 2.86Å |
| 312 | K | 68.9 | Low | 71.1 | Confident | 148 Ų | 148 | 115.1 Ų | 115.1 | 64% | 0.643 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -61.6 | -43.5 | 177.3 | -124.7 | 175.7 | -179.7 | -177.5 | 0 | 112.4 | R308 S309 Q310 T314 E315 D316 | R308-K312 PolarHBondContact O-N 2.95Å; S309-K312 PolarHBondContact O-N 2.99Å; Q310-K312 PolarHBondContact O-N 2.91Å; K312-T314 VanDerWaalsContact C-N 3.27Å; K312-T314 PolarHBondContact O-N 3.46Å; K312-E315 PolarHBondContact O-N 3.28Å; K312-D316 PolarHBondContact O-N 3.01Å |
| 313 | Q | 67.5 | Low | 71 | Confident | 114 Ų | 114 | 116.9 Ų | 116.9 | 53% | 0.533 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.8 | -33.8 | 178.7 | -157.8 | 174.4 | 18.3 | 0 | 0 | 112.1 | S309 Q310 F311 I317 | S309-Q313 WeakPolarHBondContact O-CB 3.13Å; S309-Q313 PolarHBondContact O-N 2.89Å; Q310-Q313 PolarHBondContact O-N 3.38Å; F311-Q313 PolarHBondContact O-N 3.4Å; Q313-I317 VanDerWaalsContact O-CD1 3.32Å; Q313-I317 WeakPolarHBondContact O-CD1 3.29Å; Q313-I317 VanDerWaalsContact O-CG1 3.22Å; Q313-I317 WeakPolarHBondContact O-CG1 3.29Å; Q313-I317 PolarHBondContact O-N 3.41Å |
| 314 | T | 68.5 | Low | 71.3 | Confident | 81 Ų | 81 | 117.5 Ų | 117.5 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -73.6 | -36.4 | 177.3 | -41 | 0 | 0 | 0 | 0 | 111.8 | Q310 F311 K312 A318 | Q310-T314 PolarHBondContact O-N 2.9Å; Q310-T314 PolarHBondContact O-OG1 2.93Å; F311-T314 PolarHBondContact O-N 3.01Å; K312-T314 VanDerWaalsContact C-N 3.27Å; K312-T314 PolarHBondContact O-N 3.46Å; T314-A318 PolarHBondContact O-N 3.37Å; T314-A318 VanDerWaalsContact O-N 3.14Å |
| 315 | E | 72.7 | Confident | 71.5 | Confident | 131 Ų | 131 | 120.1 Ų | 120.1 | 61% | 0.612 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.9 | -46.3 | 176.4 | -166.8 | 168.1 | -153 | 0 | 0 | 111.8 | F311 K312 I317 A318 E319 | F311-E315 PolarHBondContact O-N 2.86Å; K312-E315 PolarHBondContact O-N 3.28Å; E315-I317 VanDerWaalsContact C-N 3.29Å; E315-I317 PolarHBondContact O-N 3.06Å; E315-A318 PolarHBondContact O-N 3.44Å; E315-A318 VanDerWaalsContact O-N 3.12Å; E315-E319 PolarHBondContact O-N 3.45Å |
| 316 | D | 74 | Confident | 71.9 | Confident | 102 Ų | 102 | 122.3 Ų | 122.3 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.7 | -38.4 | 176.8 | -70.8 | -19.6 | 0 | 0 | 0 | 112.1 | K312 E319 L320 | K312-D316 PolarHBondContact O-N 3.01Å; D316-E319 PolarHBondContact O-N 3.01Å; D316-L320 WeakPolarHBondContact O-CB 3.31Å; D316-L320 PolarHBondContact O-N 3.07Å |
| 317 | I | 70.2 | Confident | 71.8 | Confident | 98 Ų | 98 | 121 Ų | 121 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.6 | -39 | 177.1 | -68.3 | 166.7 | 0 | 0 | 0 | 111.2 | Q313 E315 N321 | Q313-I317 VanDerWaalsContact O-CD1 3.32Å; Q313-I317 WeakPolarHBondContact O-CD1 3.29Å; Q313-I317 VanDerWaalsContact O-CG1 3.22Å; Q313-I317 WeakPolarHBondContact O-CG1 3.29Å; Q313-I317 PolarHBondContact O-N 3.41Å; E315-I317 VanDerWaalsContact C-N 3.29Å; E315-I317 PolarHBondContact O-N 3.06Å; I317-N321 PolarHBondContact O-N 3.44Å; I317-N321 VanDerWaalsContact O-N 3.13Å; I317-N321 PolarHBondContact O-ND2 3.5Å |
| 318 | A | 71.1 | Confident | 72.3 | Confident | 57 Ų | 57 | 123 Ų | 123 | 47% | 0.471 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.5 | -38.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T314 E315 N321 R322 | T314-A318 PolarHBondContact O-N 3.37Å; T314-A318 VanDerWaalsContact O-N 3.14Å; E315-A318 PolarHBondContact O-N 3.44Å; E315-A318 VanDerWaalsContact O-N 3.12Å; A318-N321 PolarHBondContact O-N 2.86Å; A318-R322 PolarHBondContact O-N 2.85Å; A318-R322 VanDerWaalsContact O-N 3.16Å |
| 319 | E | 70.1 | Confident | 72.7 | Confident | 124 Ų | 124 | 118.8 Ų | 118.8 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.9 | -41.9 | 177.1 | -139.6 | 177 | -164.2 | 0 | 0 | 111.9 | E315 D316 N321 R322 L323 | E315-E319 PolarHBondContact O-N 3.45Å; D316-E319 PolarHBondContact O-N 3.01Å; E319-N321 VanDerWaalsContact C-N 3.32Å; E319-N321 PolarHBondContact O-N 3.24Å; E319-R322 PolarHBondContact O-N 3.39Å; E319-L323 PolarHBondContact O-N 2.87Å |
| 320 | L | 76.3 | Confident | 72.8 | Confident | 118 Ų | 118 | 120.4 Ų | 120.4 | 62% | 0.618 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -60.3 | -40.7 | 175.4 | -164.9 | 74.3 | 0 | 0 | 0 | 111.9 | D316 L323 K324 | D316-L320 WeakPolarHBondContact O-CB 3.31Å; D316-L320 PolarHBondContact O-N 3.07Å; L320-L323 PolarHBondContact O-N 2.87Å; L320-K324 WeakPolarHBondContact O-CB 3.43Å; L320-K324 PolarHBondContact O-N 2.92Å |
| 321 | N | 74.6 | Confident | 73.2 | Confident | 99 Ų | 99 | 121.9 Ų | 121.9 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -67.5 | -38.2 | 176.7 | -83.2 | -35.6 | 0 | 0 | 0 | 112.8 | I317 A318 E319 K324 Q325 | I317-N321 PolarHBondContact O-N 3.44Å; I317-N321 VanDerWaalsContact O-N 3.13Å; I317-N321 PolarHBondContact O-ND2 3.5Å; A318-N321 PolarHBondContact O-N 2.86Å; E319-N321 VanDerWaalsContact C-N 3.32Å; E319-N321 PolarHBondContact O-N 3.24Å; N321-K324 PolarHBondContact O-N 3.49Å; N321-Q325 PolarHBondContact O-N 3.33Å; N321-Q325 VanDerWaalsContact O-N 3.08Å |
| 322 | R | 73.8 | Confident | 73.7 | Confident | 204 Ų | 204 | 120.8 Ų | 120.8 | 77% | 0.77 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.1 | -43.8 | 173.5 | -94.7 | -177.1 | 171.3 | 149.9 | -1.2 | 112 | A318 E319 Q325 R326 | A318-R322 PolarHBondContact O-N 2.85Å; A318-R322 VanDerWaalsContact O-N 3.16Å; E319-R322 PolarHBondContact O-N 3.39Å; R322-Q325 PolarHBondContact O-N 3.49Å; R322-R326 WeakPolarHBondContact O-CB 3.26Å; R322-R326 PolarHBondContact O-N 2.98Å; R322-R326 VanDerWaalsContact O-N 3.09Å |
| 323 | L | 72.6 | Confident | 74.1 | Confident | 116 Ų | 116 | 119.3 Ų | 119.3 | 61% | 0.607 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.7 | -41.5 | 178.1 | -72.3 | 171.7 | 0 | 0 | 0 | 111.9 | E319 L320 Q325 R326 E327 | E319-L323 PolarHBondContact O-N 2.87Å; L320-L323 PolarHBondContact O-N 2.87Å; L323-Q325 VanDerWaalsContact C-N 3.33Å; L323-Q325 PolarHBondContact O-N 3.46Å; L323-R326 PolarHBondContact O-N 3.33Å; L323-E327 WeakPolarHBondContact O-CB 3.32Å; L323-E327 PolarHBondContact O-N 2.99Å |
| 324 | K | 78.7 | Confident | 74.5 | Confident | 135 Ų | 135 | 117.9 Ų | 117.9 | 59% | 0.587 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -63.6 | -36.3 | 177.6 | -138.7 | 177.9 | -171.9 | 177.1 | 0 | 112.9 | L320 N321 K328 | L320-K324 WeakPolarHBondContact O-CB 3.43Å; L320-K324 PolarHBondContact O-N 2.92Å; N321-K324 PolarHBondContact O-N 3.49Å; K324-K328 PolarHBondContact O-N 2.98Å |
| 325 | Q | 76.2 | Confident | 74.9 | Confident | 116 Ų | 116 | 116.7 Ų | 116.7 | 54% | 0.542 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -69.1 | -42.4 | 175.4 | -166.3 | 69.8 | 7.4 | 0 | 0 | 111.2 | N321 R322 L323 E327 K328 E329 | N321-Q325 PolarHBondContact O-N 3.33Å; N321-Q325 VanDerWaalsContact O-N 3.08Å; R322-Q325 PolarHBondContact O-N 3.49Å; L323-Q325 VanDerWaalsContact C-N 3.33Å; L323-Q325 PolarHBondContact O-N 3.46Å; Q325-E327 PolarHBondContact O-N 2.97Å; Q325-K328 PolarHBondContact O-N 3.22Å; Q325-E329 PolarHBondContact O-N 2.82Å |
| 326 | R | 77.2 | Confident | 75.2 | Confident | 162 Ų | 162 | 116.2 Ų | 116.2 | 61% | 0.611 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.1 | -33.9 | 178.9 | -163.5 | 148.7 | -178.8 | 87.9 | -5.2 | 112.9 | R322 L323 L330 | R322-R326 WeakPolarHBondContact O-CB 3.26Å; R322-R326 PolarHBondContact O-N 2.98Å; R322-R326 VanDerWaalsContact O-N 3.09Å; L323-R326 PolarHBondContact O-N 3.33Å; R326-L330 HydrophobicContact CG-CD1 4.44Å; R326-L330 WeakPolarHBondContact O-CB 3.41Å; R326-L330 WeakPolarHBondContact O-CG 3.37Å; R326-L330 PolarHBondContact O-N 3.43Å; R326-L330 VanDerWaalsContact O-N 3.09Å |
| 327 | E | 72.7 | Confident | 75.3 | Confident | 110 Ų | 110 | 116.4 Ų | 116.4 | 51% | 0.514 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.1 | -43.3 | 172.9 | -173 | -175.8 | -166 | 0 | 0 | 112 | L323 Q325 E329 L330 M331 | L323-E327 WeakPolarHBondContact O-CB 3.32Å; L323-E327 PolarHBondContact O-N 2.99Å; Q325-E327 PolarHBondContact O-N 2.97Å; E327-E329 PolarHBondContact O-N 3.29Å; E327-L330 PolarHBondContact O-N 3.5Å; E327-M331 HydrophobicContact CG-CE 4.35Å; E327-M331 PolarHBondContact O-N 3.01Å |
| 328 | K | 77.9 | Confident | 75.6 | Confident | 151 Ų | 151 | 120.3 Ų | 120.3 | 66% | 0.657 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.2 | -43.8 | 175.9 | -91.9 | -176.2 | 173.7 | -179.5 | 0 | 112.7 | K324 Q325 M331 H332 | K324-K328 PolarHBondContact O-N 2.98Å; Q325-K328 PolarHBondContact O-N 3.22Å; K328-M331 PolarHBondContact O-N 3.34Å; K328-H332 PolarHBondContact O-N 3.45Å; K328-H332 VanDerWaalsContact O-N 3.09Å |
| 329 | E | 76.7 | Confident | 75.8 | Confident | 101 Ų | 101 | 123.9 Ų | 123.9 | 47% | 0.472 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.1 | -43.9 | 177.2 | -73.2 | 172.9 | -178.2 | 0 | 0 | 111.5 | Q325 E327 H332 M333 | Q325-E329 PolarHBondContact O-N 2.82Å; E327-E329 PolarHBondContact O-N 3.29Å; E329-H332 PolarHBondContact O-N 2.89Å; E329-M333 WeakPolarHBondContact O-CB 3.32Å; E329-M333 PolarHBondContact O-N 3.09Å |
| 330 | L | 75.7 | Confident | 76.1 | Confident | 106 Ų | 106 | 122.7 Ų | 122.7 | 56% | 0.555 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.6 | -39.4 | 178.2 | -74.4 | 169.8 | 0 | 0 | 0 | 112.6 | R326 E327 M333 N334 | R326-L330 HydrophobicContact CG-CD1 4.44Å; R326-L330 WeakPolarHBondContact O-CB 3.41Å; R326-L330 WeakPolarHBondContact O-CG 3.37Å; R326-L330 PolarHBondContact O-N 3.43Å; R326-L330 VanDerWaalsContact O-N 3.09Å; E327-L330 PolarHBondContact O-N 3.5Å; L330-M333 PolarHBondContact O-N 2.9Å; L330-N334 WeakPolarHBondContact O-CB 3.34Å; L330-N334 PolarHBondContact O-N 3.3Å |
| 331 | M | 74.1 | Confident | 76 | Confident | 125 Ų | 125 | 121.4 Ų | 121.4 | 62% | 0.616 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.1 | -44 | 174.2 | -87 | -163.7 | -161.8 | 0 | 0 | 112 | E327 K328 N334 A335 | E327-M331 HydrophobicContact CG-CE 4.35Å; E327-M331 PolarHBondContact O-N 3.01Å; K328-M331 PolarHBondContact O-N 3.34Å; M331-N334 PolarHBondContact O-N 3.25Å; M331-A335 WeakPolarHBondContact O-CB 3.49Å; M331-A335 PolarHBondContact O-N 2.77Å |
| 332 | H | 77.6 | Confident | 76 | Confident | 139 Ų | 139 | 121.5 Ų | 121.5 | 64% | 0.644 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.6 | -42.7 | 179.8 | -169.3 | 61.8 | 0 | 0 | 0 | 111.8 | K328 E329 A335 M336 | K328-H332 PolarHBondContact O-N 3.45Å; K328-H332 VanDerWaalsContact O-N 3.09Å; E329-H332 PolarHBondContact O-N 2.89Å; H332-A335 PolarHBondContact O-N 2.65Å; H332-M336 PolarHBondContact O-N 2.92Å; H332-M336 VanDerWaalsContact O-N 3.07Å |
| 333 | M | 77.7 | Confident | 76 | Confident | 116 Ų | 116 | 116.4 Ų | 116.4 | 57% | 0.571 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.9 | -36.8 | 177.7 | -157 | 178.6 | -65.1 | 0 | 0 | 112.4 | E329 L330 M336 L337 | E329-M333 WeakPolarHBondContact O-CB 3.32Å; E329-M333 PolarHBondContact O-N 3.09Å; L330-M333 PolarHBondContact O-N 2.9Å; M333-M336 WeakPolarHBondContact O-CB 3.46Å; M333-M336 PolarHBondContact O-N 2.77Å; M333-L337 WeakPolarHBondContact O-CG 3.46Å; M333-L337 PolarHBondContact O-N 2.97Å |
| 334 | N | 76.5 | Confident | 76 | Confident | 85 Ų | 85 | 116.9 Ų | 116.9 | 46% | 0.455 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -68.4 | -38.8 | 176.1 | -153.4 | -57.4 | 0 | 0 | 0 | 111.8 | L330 M331 L337 R338 | L330-N334 WeakPolarHBondContact O-CB 3.34Å; L330-N334 PolarHBondContact O-N 3.3Å; M331-N334 PolarHBondContact O-N 3.25Å; N334-L337 PolarHBondContact O-N 3.27Å; N334-R338 WeakPolarHBondContact O-CB 3.4Å; N334-R338 VanDerWaalsContact O-CG 3.27Å; N334-R338 WeakPolarHBondContact O-CG 3.48Å; N334-R338 PolarHBondContact O-N 3.48Å; N334-R338 PolarHBondContact OD1-NE 3.35Å; N334-R338 VanDerWaalsContact OD1-NE 3.12Å |
| 335 | A | 77.1 | Confident | 75.7 | Confident | 56 Ų | 56 | 113.8 Ų | 113.8 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.7 | -43.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M331 H332 R338 Q339 | M331-A335 WeakPolarHBondContact O-CB 3.49Å; M331-A335 PolarHBondContact O-N 2.77Å; H332-A335 PolarHBondContact O-N 2.65Å; A335-R338 PolarHBondContact O-N 3.33Å; A335-Q339 PolarHBondContact O-N 2.9Å |
| 336 | M | 79.1 | Confident | 75.4 | Confident | 120 Ų | 120 | 115.7 Ų | 115.7 | 59% | 0.591 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -57 | -51.4 | 173.3 | -87.5 | -89 | -53.7 | 0 | 0 | 112.2 | H332 M333 R338 Q339 D340 | H332-M336 PolarHBondContact O-N 2.92Å; H332-M336 VanDerWaalsContact O-N 3.07Å; M333-M336 WeakPolarHBondContact O-CB 3.46Å; M333-M336 PolarHBondContact O-N 2.77Å; M336-R338 VanDerWaalsContact C-N 3.32Å; M336-R338 PolarHBondContact O-N 3.42Å; M336-Q339 PolarHBondContact O-N 3.3Å; M336-Q339 VanDerWaalsContact O-N 3.16Å; M336-D340 PolarHBondContact O-N 3.34Å |
| 337 | L | 76 | Confident | 75.1 | Confident | 107 Ų | 107 | 113 Ų | 113 | 56% | 0.56 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.8 | -38.6 | 179.3 | -77.9 | 164.1 | 0 | 0 | 0 | 112.3 | M333 N334 Q339 D340 V341 | M333-L337 WeakPolarHBondContact O-CG 3.46Å; M333-L337 PolarHBondContact O-N 2.97Å; N334-L337 PolarHBondContact O-N 3.27Å; L337-Q339 VanDerWaalsContact C-N 3.31Å; L337-Q339 PolarHBondContact O-N 2.85Å; L337-D340 PolarHBondContact O-N 2.98Å; L337-V341 WeakPolarHBondContact O-CG2 3.45Å; L337-V341 PolarHBondContact O-N 3.03Å |
| 338 | R | 75.1 | Confident | 74.6 | Confident | 180 Ų | 180 | 112.6 Ų | 112.6 | 68% | 0.679 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63 | -37.6 | 175.3 | -78.1 | 177.3 | 179.1 | -120.6 | -0.1 | 112.2 | N334 A335 M336 L342 | N334-R338 WeakPolarHBondContact O-CB 3.4Å; N334-R338 VanDerWaalsContact O-CG 3.27Å; N334-R338 WeakPolarHBondContact O-CG 3.48Å; N334-R338 PolarHBondContact O-N 3.48Å; N334-R338 PolarHBondContact OD1-NE 3.35Å; N334-R338 VanDerWaalsContact OD1-NE 3.12Å; A335-R338 PolarHBondContact O-N 3.33Å; M336-R338 VanDerWaalsContact C-N 3.32Å; M336-R338 PolarHBondContact O-N 3.42Å; R338-L342 WeakPolarHBondContact O-CB 3.34Å; R338-L342 PolarHBondContact O-N 2.91Å |
| 339 | Q | 77.1 | Confident | 73.9 | Confident | 131 Ų | 131 | 110.6 Ų | 110.6 | 61% | 0.612 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.5 | -38.3 | 177.5 | -170 | 166.9 | 3.7 | 0 | 0 | 112 | A335 M336 L337 L342 L343 | A335-Q339 PolarHBondContact O-N 2.9Å; M336-Q339 PolarHBondContact O-N 3.3Å; M336-Q339 VanDerWaalsContact O-N 3.16Å; L337-Q339 VanDerWaalsContact C-N 3.31Å; L337-Q339 PolarHBondContact O-N 2.85Å; Q339-L342 PolarHBondContact O-N 3.43Å; Q339-L343 PolarHBondContact O-N 3.23Å; Q339-L343 VanDerWaalsContact O-N 3.09Å |
| 340 | D | 76 | Confident | 73.4 | Confident | 99 Ų | 99 | 113 Ų | 113 | 53% | 0.529 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -68.7 | -41.3 | -179.9 | -151.4 | 36 | 0 | 0 | 0 | 112.1 | M336 L337 L342 L343 K344 | M336-D340 PolarHBondContact O-N 3.34Å; L337-D340 PolarHBondContact O-N 2.98Å; D340-L342 VanDerWaalsContact C-N 3.32Å; D340-L342 PolarHBondContact O-N 3.32Å; D340-L343 PolarHBondContact O-N 2.97Å; D340-K344 PolarHBondContact O-N 2.87Å |
| 341 | V | 72.9 | Confident | 72.7 | Confident | 92 Ų | 92 | 112.4 Ų | 112.4 | 56% | 0.558 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.4 | -42.4 | 171.4 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | L337 L343 K344 T345 | L337-V341 WeakPolarHBondContact O-CG2 3.45Å; L337-V341 PolarHBondContact O-N 3.03Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 2.99Å; V341-K344 PolarHBondContact O-N 3.48Å; V341-T345 PolarHBondContact O-N 2.95Å; V341-T345 PolarHBondContact O-OG1 3.4Å |
| 342 | L | 76.4 | Confident | 72 | Confident | 100 Ų | 100 | 112.2 Ų | 112.2 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -37.5 | -179.2 | -131.7 | 155.5 | 0 | 0 | 0 | 112.5 | R338 Q339 D340 R346 | R338-L342 WeakPolarHBondContact O-CB 3.34Å; R338-L342 PolarHBondContact O-N 2.91Å; Q339-L342 PolarHBondContact O-N 3.43Å; D340-L342 VanDerWaalsContact C-N 3.32Å; D340-L342 PolarHBondContact O-N 3.32Å; L342-R346 PolarHBondContact O-N 2.91Å |
| 343 | L | 73.4 | Confident | 71.2 | Confident | 97 Ų | 97 | 112.3 Ų | 112.3 | 51% | 0.508 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 174.4 | -74.9 | 169.1 | 0 | 0 | 0 | 111.5 | Q339 D340 V341 R346 E347 | Q339-L343 PolarHBondContact O-N 3.23Å; Q339-L343 VanDerWaalsContact O-N 3.09Å; D340-L343 PolarHBondContact O-N 2.97Å; V341-L343 VanDerWaalsContact C-N 3.33Å; V341-L343 PolarHBondContact O-N 2.99Å; L343-R346 PolarHBondContact O-N 3.02Å; L343-E347 PolarHBondContact O-N 3.15Å; L343-E347 VanDerWaalsContact O-N 3.1Å |
| 344 | K | 72.8 | Confident | 70.1 | Confident | 126 Ų | 126 | 113.1 Ų | 113.1 | 55% | 0.548 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.6 | -37 | 178.9 | -76.6 | -73.1 | 165.7 | -154.8 | 0 | 113.2 | D340 V341 R346 E347 N348 | D340-K344 PolarHBondContact O-N 2.87Å; V341-K344 PolarHBondContact O-N 3.48Å; K344-R346 PolarHBondContact O-N 3.34Å; K344-E347 IonicContact NZ-OE2 3.51Å; K344-E347 PolarHBondContact NZ-OE2 2.85Å; K344-E347 PolarHBondContact O-N 3.39Å; K344-N348 WeakPolarHBondContact O-CB 3.4Å; K344-N348 PolarHBondContact O-N 2.82Å |
| 345 | T | 70.8 | Confident | 68.9 | Low | 71 Ų | 71 | 114 Ų | 114 | 44% | 0.436 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.2 | -39 | 176 | -51.5 | 0 | 0 | 0 | 0 | 111.6 | V341 N348 E349 | V341-T345 PolarHBondContact O-N 2.95Å; V341-T345 PolarHBondContact O-OG1 3.4Å; T345-N348 PolarHBondContact O-N 2.93Å; T345-E349 PolarHBondContact O-N 3.43Å |
| 346 | R | 71.3 | Confident | 67.7 | Low | 156 Ų | 156 | 115.5 Ų | 115.5 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -67.1 | -37.6 | 174.5 | -85.5 | -173.8 | -170.3 | 141.4 | 2.8 | 113.7 | L342 L343 K344 N348 K350 | L342-R346 PolarHBondContact O-N 2.91Å; L343-R346 PolarHBondContact O-N 3.02Å; K344-R346 PolarHBondContact O-N 3.34Å; R346-N348 VanDerWaalsContact C-N 3.31Å; R346-K350 PolarHBondContact O-N 3.44Å |
| 347 | E | 69.8 | Low | 66.1 | Low | 106 Ų | 106 | 119.1 Ų | 119.1 | 50% | 0.495 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.2 | -40.7 | 173 | -81 | -175.1 | 151.5 | 0 | 0 | 111.2 | L343 K344 K350 L351 | L343-E347 PolarHBondContact O-N 3.15Å; L343-E347 VanDerWaalsContact O-N 3.1Å; K344-E347 IonicContact NZ-OE2 3.51Å; K344-E347 PolarHBondContact NZ-OE2 2.85Å; K344-E347 PolarHBondContact O-N 3.39Å; E347-K350 PolarHBondContact O-N 2.87Å; E347-L351 PolarHBondContact O-N 2.69Å |
| 348 | N | 62 | Low | 64.8 | Low | 100 Ų | 100 | 121.2 Ų | 121.2 | 54% | 0.535 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -71 | -39.1 | -178.6 | -141.8 | 2.4 | 0 | 0 | 0 | 112.2 | K344 T345 R346 K350 L351 Q352 | K344-N348 WeakPolarHBondContact O-CB 3.4Å; K344-N348 PolarHBondContact O-N 2.82Å; T345-N348 PolarHBondContact O-N 2.93Å; R346-N348 VanDerWaalsContact C-N 3.31Å; N348-K350 VanDerWaalsContact C-N 3.31Å; N348-K350 PolarHBondContact O-N 3.09Å; N348-L351 PolarHBondContact O-N 2.92Å; N348-Q352 WeakPolarHBondContact O-CB 3.39Å; N348-Q352 PolarHBondContact O-N 3.17Å |
| 349 | E | 63.2 | Low | 63.2 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 51% | 0.509 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61 | -38.5 | 172.2 | -80.3 | -179.9 | 158.6 | 0 | 0 | 112.1 | T345 Q353 | T345-E349 PolarHBondContact O-N 3.43Å; E349-Q353 WeakPolarHBondContact O-CB 3.32Å; E349-Q353 VanDerWaalsContact O-CG 3.3Å; E349-Q353 WeakPolarHBondContact O-CG 3.34Å; E349-Q353 PolarHBondContact O-N 3.41Å |
| 350 | K | 66.4 | Low | 61.6 | Low | 153 Ų | 153 | 122.7 Ų | 122.7 | 67% | 0.665 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.6 | -41.9 | 174.6 | -85.4 | -176.1 | 173.4 | -177.8 | 0 | 112.6 | R346 E347 N348 Q353 Q354 | R346-K350 PolarHBondContact O-N 3.44Å; E347-K350 PolarHBondContact O-N 2.87Å; N348-K350 VanDerWaalsContact C-N 3.31Å; N348-K350 PolarHBondContact O-N 3.09Å; K350-Q353 PolarHBondContact O-N 2.91Å; K350-Q354 PolarHBondContact O-N 2.85Å; K350-Q354 VanDerWaalsContact O-N 3.12Å |
| 351 | L | 62.4 | Low | 59.7 | Low | 93 Ų | 93 | 123.3 Ų | 123.3 | 49% | 0.487 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.2 | -38.6 | 177.5 | -81.8 | 159.1 | 0 | 0 | 0 | 111.9 | E347 N348 Q354 L355 | E347-L351 PolarHBondContact O-N 2.69Å; N348-L351 PolarHBondContact O-N 2.92Å; L351-Q354 PolarHBondContact O-N 3.29Å; L351-L355 PolarHBondContact O-N 3.4Å |
| 352 | Q | 58.4 | Low | 57.9 | Low | 120 Ų | 120 | 123.7 Ų | 123.7 | 56% | 0.561 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.4 | -37.9 | 174.5 | -108.2 | 169.7 | -13.4 | 0 | 0 | 112.5 | N348 Q354 L355 V356 | N348-Q352 WeakPolarHBondContact O-CB 3.39Å; N348-Q352 PolarHBondContact O-N 3.17Å; Q352-Q354 VanDerWaalsContact C-N 3.32Å; Q352-Q354 PolarHBondContact O-N 3.43Å; Q352-L355 PolarHBondContact O-N 2.94Å; Q352-V356 WeakPolarHBondContact O-CG2 3.47Å; Q352-V356 PolarHBondContact O-N 3.36Å |
| 353 | Q | 59.7 | Low | 55.5 | Low | 142 Ų | 142 | 124.9 Ų | 124.9 | 66% | 0.664 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.6 | -34.3 | 173.7 | -75.2 | 177.6 | 12.2 | 0 | 0 | 112.4 | E349 K350 Y357 | E349-Q353 WeakPolarHBondContact O-CB 3.32Å; E349-Q353 VanDerWaalsContact O-CG 3.3Å; E349-Q353 WeakPolarHBondContact O-CG 3.34Å; E349-Q353 PolarHBondContact O-N 3.41Å; K350-Q353 PolarHBondContact O-N 2.91Å; Q353-Y357 WeakPolarHBondContact O-CB 3.31Å; Q353-Y357 PolarHBondContact O-N 2.83Å |
| 354 | Q | 55.4 | Low | 53.3 | Low | 132 Ų | 132 | 126.5 Ų | 126.5 | 62% | 0.617 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.3 | -38.8 | 175.1 | -80 | -178.9 | -25.3 | 0 | 0 | 113 | K350 L351 Q352 Q358 | K350-Q354 PolarHBondContact O-N 2.85Å; K350-Q354 VanDerWaalsContact O-N 3.12Å; L351-Q354 PolarHBondContact O-N 3.29Å; Q352-Q354 VanDerWaalsContact C-N 3.32Å; Q352-Q354 PolarHBondContact O-N 3.43Å; Q354-Q358 PolarHBondContact O-N 2.81Å; Q354-Q358 VanDerWaalsContact O-N 3.17Å |
| 355 | L | 51.1 | Low | 51.1 | Low | 104 Ų | 104 | 127.1 Ų | 127.1 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.4 | -42.3 | 180 | -84.4 | 160.8 | 0 | 0 | 0 | 112.7 | L351 Q352 Y357 Q358 E359 | L351-L355 PolarHBondContact O-N 3.4Å; Q352-L355 PolarHBondContact O-N 2.94Å; L355-Y357 VanDerWaalsContact C-N 3.28Å; L355-Y357 PolarHBondContact O-N 3.24Å; L355-Q358 PolarHBondContact O-N 2.84Å; L355-E359 PolarHBondContact O-N 3.46Å |
| 356 | V | 51.7 | Low | 49.1 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 53% | 0.527 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -70.7 | -26.8 | 179.3 | 176 | 0 | 0 | 0 | 0 | 111.9 | Q352 | Q352-V356 WeakPolarHBondContact O-CG2 3.47Å; Q352-V356 PolarHBondContact O-N 3.36Å |
| 357 | Y | 46 | Very low | 47 | Very low | 197 Ų | 197 | 130 Ų | 130 | 77% | 0.773 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -77.6 | -28.1 | 174.4 | -146.7 | -90.6 | 0 | 0 | 0 | 112.6 | Q353 L355 | Q353-Y357 WeakPolarHBondContact O-CB 3.31Å; Q353-Y357 PolarHBondContact O-N 2.83Å; L355-Y357 VanDerWaalsContact C-N 3.28Å; L355-Y357 PolarHBondContact O-N 3.24Å |
| 358 | Q | 49.2 | Very low | 44.8 | Very low | 150 Ų | 150 | 128 Ų | 128 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -81.3 | -25.2 | 174.5 | -83.7 | -170.2 | -17.1 | 0 | 0 | 113.9 | Q354 L355 K360 | Q354-Q358 PolarHBondContact O-N 2.81Å; Q354-Q358 VanDerWaalsContact O-N 3.17Å; L355-Q358 PolarHBondContact O-N 2.84Å; Q358-K360 VanDerWaalsContact C-N 3.27Å; Q358-K360 PolarHBondContact O-N 2.82Å |
| 359 | E | 41.9 | Very low | 43.3 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -7.7 | 177.5 | -85.6 | -173.6 | 150.9 | 0 | 0 | 114.8 | L355 | L355-E359 PolarHBondContact O-N 3.46Š|
| 360 | K | 42.5 | Very low | 41.7 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 78% | 0.778 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | -0.9 | -178.2 | -88.4 | -174.1 | 175.8 | -180 | 0 | 116.3 | Q358 | Q358-K360 VanDerWaalsContact C-N 3.27Å; Q358-K360 PolarHBondContact O-N 2.82Å |
| 361 | T | 37.3 | Very low | 40 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 69% | 0.693 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -139.1 | 19 | -174.7 | 44.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 362 | S | 34 | Very low | 38.7 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -140.9 | 92.4 | 170 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 363 | D | 25.6 | Very low | 37.9 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 72% | 0.724 | S | S | * | * | trans | 32.4 | 114.6 | 137.1 | -60.6 | -28.8 | 0 | 0 | 0 | 117.4 | L365 | D363-L365 HydrophobicContact CB-CB 4.33Å; D363-L365 PolarHBondContact O-N 3.31Å | ||
| 364 | S | 27.9 | Very low | 37.1 | Very low | 131 Ų | 131 | 135.8 Ų | 135.8 | 92% | 0.916 | 72% | 0.722 | S | S | * | * | 48.3 | 13.4 | 59.1 | -134 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 365 | L | 27.2 | Very low | 36.8 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | trans | -139.5 | 73.5 | 165.8 | -95.1 | 148.3 | 0 | 0 | 0 | 108.2 | D363 | D363-L365 HydrophobicContact CB-CB 4.33Å; D363-L365 PolarHBondContact O-N 3.31Å | ||
| 366 | L | 28.5 | Very low | 36.9 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | 179.3 | 109.3 | 125.1 | -88.9 | 165.4 | 0 | 0 | 0 | 109.6 | |||||
| 367 | S | 26.5 | Very low | 37.2 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | trans | -57.8 | 140.6 | 157.8 | 63.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 368 | G | 24.5 | Very low | 37.7 | Very low | 65 Ų | 65 | 135.5 Ų | 135.5 | 67% | 0.67 | 73% | 0.734 | S | S | * | * | trans | 126.2 | 101.2 | 133.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 369 | K | 30.7 | Very low | 38.5 | Very low | 189 Ų | 189 | 136.6 Ų | 136.6 | 82% | 0.822 | 74% | 0.737 | S | S | * | * | trans | 67.9 | 113.4 | 130.3 | -64.6 | -177.8 | 177.4 | 179.7 | 0 | 118.3 | ||||
| 370 | Q | 28.5 | Very low | 39.7 | Very low | 157 Ų | 157 | 134 Ų | 134 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | 131.9 | 133.7 | 92.8 | -120.5 | 171.7 | -49.1 | 0 | 0 | 114.5 | |||||
| 371 | I | 31.4 | Very low | 41.1 | Very low | 146 Ų | 146 | 128.4 Ų | 128.4 | 75% | 0.749 | 71% | 0.712 | S | S | * | * | trans | 85.7 | 129 | 155.4 | -53.9 | 152.6 | 0 | 0 | 0 | 114.3 | ||||
| 372 | Q | 34.6 | Very low | 42.5 | Very low | 174 Ų | 174 | 128.7 Ų | 128.7 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | cis | -171.1 | 171.6 | -8.3 | -116.1 | -155.1 | 6.9 | 0 | 0 | 107.6 | ||||
| 373 | P | 41.8 | Very low | 44.5 | Very low | 99 Ų | 99 | 130.5 Ų | 130.5 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | trans | -99.2 | 128.3 | -179.7 | 35.4 | -25.2 | 0 | 0 | 0 | 113.6 | ||||
| 374 | D | 42.7 | Very low | 46.9 | Very low | 115 Ų | 115 | 131.5 Ų | 131.5 | 62% | 0.615 | 70% | 0.702 | S | S | * | * | trans | -128.7 | 11.2 | 170.4 | -165 | 29.4 | 0 | 0 | 0 | 113.7 | ||||
| 375 | L | 49.2 | Very low | 49.2 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 73% | 0.733 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -99.5 | -17.6 | 178.7 | -84.7 | 105.2 | 0 | 0 | 0 | 114.7 | Q377 | L375-Q377 VanDerWaalsContact C-N 3.34Å; L375-Q377 PolarHBondContact O-N 2.77Å |
| 376 | S | 54.3 | Low | 51.8 | Low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -75.3 | -19 | 179.7 | -63.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 377 | Q | 56.3 | Low | 54.3 | Low | 156 Ų | 156 | 131.2 Ų | 131.2 | 73% | 0.729 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -81.2 | -31 | 175.6 | -85.6 | -174.8 | -4.3 | 0 | 0 | 113.4 | L375 F379 E380 A381 | L375-Q377 VanDerWaalsContact C-N 3.34Å; L375-Q377 PolarHBondContact O-N 2.77Å; Q377-F379 VanDerWaalsContact C-N 3.29Å; Q377-F379 PolarHBondContact O-N 2.84Å; Q377-E380 PolarHBondContact O-N 2.86Å; Q377-A381 PolarHBondContact O-N 2.84Å |
| 378 | Q | 57.2 | Low | 56.8 | Low | 120 Ų | 120 | 131.2 Ų | 131.2 | 56% | 0.561 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.1 | -30.4 | 177.7 | -66.2 | -171.9 | 23.1 | 0 | 0 | 112.2 | A381 L382 | Q378-A381 PolarHBondContact O-N 3.37Å; Q378-L382 PolarHBondContact O-N 3.49Å |
| 379 | F | 65.5 | Low | 59.3 | Low | 173 Ų | 173 | 135.5 Ų | 135.5 | 76% | 0.759 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -70 | -32.2 | 179.3 | -130.9 | -87.4 | 0 | 0 | 0 | 113.5 | Q377 K383 | Q377-F379 VanDerWaalsContact C-N 3.29Å; Q377-F379 PolarHBondContact O-N 2.84Å; F379-K383 PolarHBondContact O-N 3.41Å |
| 380 | E | 68.2 | Low | 61.7 | Low | 107 Ų | 107 | 130 Ų | 130 | 50% | 0.5 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -79.9 | -31.8 | 176.3 | -90.5 | -64.5 | 139 | 0 | 0 | 112.7 | Q377 K383 K384 | Q377-E380 PolarHBondContact O-N 2.86Å; E380-K383 PolarHBondContact O-N 3.29Å; E380-K384 PolarHBondContact O-N 3.27Å |
| 381 | A | 70.7 | Confident | 64.1 | Low | 63 Ų | 63 | 128.4 Ų | 128.4 | 52% | 0.521 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.1 | -46.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q377 Q378 K383 K384 E385 | Q377-A381 PolarHBondContact O-N 2.84Å; Q378-A381 PolarHBondContact O-N 3.37Å; A381-K383 VanDerWaalsContact C-N 3.28Å; A381-K383 PolarHBondContact O-N 2.86Å; A381-K384 PolarHBondContact O-N 2.91Å; A381-E385 PolarHBondContact O-N 3.35Å |
| 382 | L | 67.4 | Low | 66.5 | Low | 119 Ų | 119 | 124.6 Ų | 124.6 | 62% | 0.623 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.2 | -29.8 | 178.1 | -99.5 | 124.9 | 0 | 0 | 0 | 113.4 | Q378 R386 | Q378-L382 PolarHBondContact O-N 3.49Å; L382-R386 PolarHBondContact O-N 3.45Å |
| 383 | K | 76.4 | Confident | 68.6 | Low | 136 Ų | 136 | 121.1 Ų | 121.1 | 59% | 0.591 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.4 | -34 | 179.4 | -159.4 | 177.1 | -179.9 | -174.5 | 0 | 112.3 | F379 E380 A381 | F379-K383 PolarHBondContact O-N 3.41Å; E380-K383 PolarHBondContact O-N 3.29Å; A381-K383 VanDerWaalsContact C-N 3.28Å; A381-K383 PolarHBondContact O-N 2.86Å |
| 384 | K | 76.4 | Confident | 70.6 | Confident | 147 Ų | 147 | 121.3 Ų | 121.3 | 64% | 0.639 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.6 | -38.8 | 175 | -74.4 | -175.1 | 178.5 | 178.9 | 0 | 112.6 | E380 A381 R386 Q387 I388 | E380-K384 PolarHBondContact O-N 3.27Å; A381-K384 PolarHBondContact O-N 2.91Å; K384-R386 VanDerWaalsContact C-N 3.33Å; K384-R386 PolarHBondContact O-N 3.36Å; K384-Q387 PolarHBondContact O-N 3.35Å; K384-Q387 VanDerWaalsContact O-N 3.16Å; K384-I388 PolarHBondContact O-N 3.43Å |
| 385 | E | 75.1 | Confident | 72.5 | Confident | 140 Ų | 140 | 123 Ų | 123 | 65% | 0.654 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.9 | -38.2 | -179.7 | -158.5 | 172.9 | -159 | 0 | 0 | 112.3 | A381 Q387 I388 F389 | A381-E385 PolarHBondContact O-N 3.35Å; E385-Q387 VanDerWaalsContact C-N 3.31Å; E385-Q387 PolarHBondContact O-N 3.42Å; E385-I388 PolarHBondContact O-N 2.9Å; E385-F389 PolarHBondContact O-N 3.03Å |
| 386 | R | 82.6 | Confident | 74.1 | Confident | 184 Ų | 184 | 120.4 Ų | 120.4 | 69% | 0.694 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.3 | -34.1 | 173.5 | -178.8 | -179 | 161.9 | -154.4 | -5.6 | 113.4 | L382 K384 I390 | L382-R386 PolarHBondContact O-N 3.45Å; K384-R386 VanDerWaalsContact C-N 3.33Å; K384-R386 PolarHBondContact O-N 3.36Å; R386-I390 WeakPolarHBondContact O-CG1 3.37Å |
| 387 | Q | 79.5 | Confident | 75.3 | Confident | 106 Ų | 106 | 119.8 Ų | 119.8 | 50% | 0.495 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -74 | -40.4 | -178 | -171.7 | 62.4 | 28.2 | 0 | 0 | 111.8 | K384 E385 F389 I390 E391 | K384-Q387 PolarHBondContact O-N 3.35Å; K384-Q387 VanDerWaalsContact O-N 3.16Å; E385-Q387 VanDerWaalsContact C-N 3.31Å; E385-Q387 PolarHBondContact O-N 3.42Å; Q387-F389 VanDerWaalsContact C-N 3.29Å; Q387-F389 PolarHBondContact O-N 2.93Å; Q387-I390 PolarHBondContact O-N 3.37Å; Q387-E391 PolarHBondContact O-N 2.84Å |
| 388 | I | 79.1 | Confident | 76.5 | Confident | 120 Ų | 120 | 119 Ų | 119 | 62% | 0.615 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -63 | -37.4 | 177.7 | -63.8 | 169.2 | 0 | 0 | 0 | 111 | K384 E385 I390 E391 S392 | K384-I388 PolarHBondContact O-N 3.43Å; E385-I388 PolarHBondContact O-N 2.9Å; I388-I390 PolarHBondContact O-N 2.91Å; I388-E391 PolarHBondContact O-N 2.65Å; I388-S392 PolarHBondContact O-N 3.46Å |
| 389 | F | 78.7 | Confident | 77.7 | Confident | 156 Ų | 156 | 119.2 Ų | 119.2 | 68% | 0.684 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.7 | -36.8 | 179.5 | -162.6 | -95.6 | 0 | 0 | 0 | 112.9 | E385 Q387 S392 M393 | E385-F389 PolarHBondContact O-N 3.03Å; Q387-F389 VanDerWaalsContact C-N 3.29Å; Q387-F389 PolarHBondContact O-N 2.93Å; F389-S392 PolarHBondContact O-N 3.43Å; F389-M393 PolarHBondContact O-N 3.47Å |
| 390 | I | 79.3 | Confident | 78.5 | Confident | 74 Ų | 74 | 115.6 Ų | 115.6 | 38% | 0.379 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.5 | -41.3 | 178.9 | -67.1 | 168.7 | 0 | 0 | 0 | 110.9 | R386 Q387 I388 M393 N394 | R386-I390 WeakPolarHBondContact O-CG1 3.37Å; Q387-I390 PolarHBondContact O-N 3.37Å; I388-I390 PolarHBondContact O-N 2.91Å; I390-M393 PolarHBondContact O-N 3.28Å; I390-N394 PolarHBondContact O-N 3.25Å |
| 391 | E | 79 | Confident | 79.1 | Confident | 122 Ų | 122 | 113.1 Ų | 113.1 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.9 | -38.4 | 177.8 | -73 | 173.7 | -168.8 | 0 | 0 | 112.5 | Q387 I388 M393 N394 K395 | Q387-E391 PolarHBondContact O-N 2.84Å; I388-E391 PolarHBondContact O-N 2.65Å; E391-M393 VanDerWaalsContact C-N 3.33Å; E391-M393 PolarHBondContact O-N 3.49Å; E391-N394 PolarHBondContact O-N 2.83Å; E391-K395 PolarHBondContact O-N 2.87Å |
| 392 | S | 82.2 | Confident | 79.5 | Confident | 66 Ų | 66 | 116.8 Ų | 116.8 | 46% | 0.462 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.4 | -36.7 | 174.7 | -172.8 | 0 | 0 | 0 | 0 | 112.8 | I388 F389 K395 I396 | I388-S392 PolarHBondContact O-N 3.46Å; F389-S392 PolarHBondContact O-N 3.43Å; S392-K395 PolarHBondContact O-N 2.8Å; S392-I396 PolarHBondContact O-N 2.87Å |
| 393 | M | 79.9 | Confident | 80.1 | Confident | 101 Ų | 101 | 117.8 Ų | 117.8 | 50% | 0.498 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.9 | -39.2 | -179.7 | -113.7 | -86 | -77.6 | 0 | 0 | 112.2 | F389 I390 E391 I396 N397 | F389-M393 PolarHBondContact O-N 3.47Å; I390-M393 PolarHBondContact O-N 3.28Å; E391-M393 VanDerWaalsContact C-N 3.33Å; E391-M393 PolarHBondContact O-N 3.49Å; M393-I396 PolarHBondContact O-N 2.88Å; M393-N397 PolarHBondContact O-N 3.39Å; M393-N397 PolarHBondContact O-ND2 3.46Å |
| 394 | N | 82.8 | Confident | 80.4 | Confident | 103 Ų | 103 | 118.2 Ų | 118.2 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -67.3 | -37.6 | 177.7 | -70.8 | -18 | 0 | 0 | 0 | 112.1 | I390 E391 I396 N397 E398 | I390-N394 PolarHBondContact O-N 3.25Å; E391-N394 PolarHBondContact O-N 2.83Å; N394-I396 VanDerWaalsContact C-N 3.34Å; N394-I396 PolarHBondContact O-N 2.84Å; N394-N397 PolarHBondContact O-N 2.94Å; N394-E398 PolarHBondContact O-N 3.27Å |
| 395 | K | 83.1 | Confident | 80.7 | Confident | 150 Ų | 150 | 115.8 Ų | 115.8 | 65% | 0.652 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.4 | -34.8 | 178.6 | -133.5 | 176.4 | -173.3 | 177.7 | 0 | 113.3 | E391 S392 Q399 | E391-K395 PolarHBondContact O-N 2.87Å; S392-K395 PolarHBondContact O-N 2.8Å; K395-Q399 PolarHBondContact O-N 3.46Å |
| 396 | I | 81.8 | Confident | 81.2 | Confident | 86 Ų | 86 | 116.3 Ų | 116.3 | 44% | 0.441 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -69.6 | -40.7 | 177.3 | -70.1 | 168.9 | 0 | 0 | 0 | 111 | S392 M393 N394 E398 Q399 I400 | S392-I396 PolarHBondContact O-N 2.87Å; M393-I396 PolarHBondContact O-N 2.88Å; N394-I396 VanDerWaalsContact C-N 3.34Å; N394-I396 PolarHBondContact O-N 2.84Å; I396-E398 VanDerWaalsContact C-N 3.3Å; I396-E398 PolarHBondContact O-N 2.93Å; I396-Q399 PolarHBondContact O-N 3.25Å; I396-I400 HydrophobicContact CG2-CD1 4.2Å; I396-I400 WeakPolarHBondContact O-CG1 3.44Å; I396-I400 PolarHBondContact O-N 3.43Å |
| 397 | N | 80.7 | Confident | 81 | Confident | 87 Ų | 87 | 112 Ų | 112 | 47% | 0.465 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.6 | -33.3 | 179.7 | -75.9 | -35.1 | 0 | 0 | 0 | 112.9 | M393 N394 I400 A401 | M393-N397 PolarHBondContact O-N 3.39Å; M393-N397 PolarHBondContact O-ND2 3.46Å; N394-N397 PolarHBondContact O-N 2.94Å; N397-I400 PolarHBondContact O-N 3.48Å; N397-A401 PolarHBondContact O-N 2.93Å |
| 398 | E | 82.2 | Confident | 81 | Confident | 140 Ų | 140 | 111.5 Ų | 111.5 | 65% | 0.654 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.6 | -41.9 | 175.7 | -136.4 | 170.8 | -164.1 | 0 | 0 | 111.7 | N394 I396 I400 A401 E402 | N394-E398 PolarHBondContact O-N 3.27Å; I396-E398 VanDerWaalsContact C-N 3.3Å; I396-E398 PolarHBondContact O-N 2.93Å; E398-I400 VanDerWaalsContact C-N 3.33Å; E398-I400 PolarHBondContact O-N 3.06Å; E398-A401 PolarHBondContact O-N 2.88Å; E398-E402 PolarHBondContact O-N 2.93Å |
| 399 | Q | 82.2 | Confident | 81 | Confident | 124 Ų | 124 | 114.1 Ų | 114.1 | 58% | 0.579 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64 | -35.3 | 176.2 | -71.9 | -177.1 | -15.1 | 0 | 0 | 113.2 | K395 I396 A401 E402 Q403 | K395-Q399 PolarHBondContact O-N 3.46Å; I396-Q399 PolarHBondContact O-N 3.25Å; Q399-A401 VanDerWaalsContact C-N 3.34Å; Q399-E402 PolarHBondContact O-N 3.34Å; Q399-Q403 PolarHBondContact O-N 3.31Å |
| 400 | I | 82.3 | Confident | 80.9 | Confident | 96 Ų | 96 | 111.6 Ų | 111.6 | 49% | 0.492 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 177 | -68.6 | 170.2 | 0 | 0 | 0 | 110.9 | I396 N397 E398 Q403 K404 | I396-I400 HydrophobicContact CG2-CD1 4.2Å; I396-I400 WeakPolarHBondContact O-CG1 3.44Å; I396-I400 PolarHBondContact O-N 3.43Å; N397-I400 PolarHBondContact O-N 3.48Å; E398-I400 VanDerWaalsContact C-N 3.33Å; E398-I400 PolarHBondContact O-N 3.06Å; I400-Q403 PolarHBondContact O-N 2.92Å; I400-K404 PolarHBondContact O-N 3.46Å |
| 401 | A | 79.5 | Confident | 80.9 | Confident | 55 Ų | 55 | 113.9 Ų | 113.9 | 46% | 0.455 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.9 | -40.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | N397 E398 Q399 K404 I405 | N397-A401 PolarHBondContact O-N 2.93Å; E398-A401 PolarHBondContact O-N 2.88Å; Q399-A401 VanDerWaalsContact C-N 3.34Å; A401-K404 PolarHBondContact O-N 3.4Å; A401-I405 PolarHBondContact O-N 3.48Å |
| 402 | E | 78.9 | Confident | 80.7 | Confident | 141 Ų | 141 | 114 Ų | 114 | 66% | 0.659 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.7 | -40.9 | 176.8 | -73.5 | -172.4 | 158.7 | 0 | 0 | 112.9 | E398 Q399 K404 I405 K406 | E398-E402 PolarHBondContact O-N 2.93Å; Q399-E402 PolarHBondContact O-N 3.34Å; E402-K404 VanDerWaalsContact C-N 3.31Å; E402-K404 PolarHBondContact O-N 3.4Å; E402-I405 PolarHBondContact O-N 3.06Å; E402-K406 PolarHBondContact O-N 3.46Å |
| 403 | Q | 79.9 | Confident | 80.3 | Confident | 139 Ų | 139 | 116 Ų | 116 | 65% | 0.65 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.1 | -34.9 | 178.4 | -72.8 | -160.7 | -3.9 | 0 | 0 | 112.5 | Q399 I400 K406 I407 | Q399-Q403 PolarHBondContact O-N 3.31Å; I400-Q403 PolarHBondContact O-N 2.92Å; Q403-K406 WeakPolarHBondContact O-CB 3.42Å; Q403-K406 PolarHBondContact O-N 2.86Å; Q403-I407 WeakPolarHBondContact O-CG1 3.46Å; Q403-I407 PolarHBondContact O-N 2.89Å; Q403-I407 VanDerWaalsContact O-N 3.09Å |
| 404 | K | 82.8 | Confident | 80.1 | Confident | 145 Ų | 145 | 118 Ų | 118 | 63% | 0.63 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.7 | -44.9 | 177.1 | -120.3 | 173.3 | 178.2 | 180 | 0 | 112.4 | I400 A401 E402 K406 I407 D408 | I400-K404 PolarHBondContact O-N 3.46Å; A401-K404 PolarHBondContact O-N 3.4Å; E402-K404 VanDerWaalsContact C-N 3.31Å; E402-K404 PolarHBondContact O-N 3.4Å; K404-K406 PolarHBondContact O-N 3.17Å; K404-I407 PolarHBondContact O-N 3.47Å; K404-D408 PolarHBondContact O-N 3.49Å |
| 405 | I | 83.1 | Confident | 79.4 | Confident | 97 Ų | 97 | 117.2 Ų | 117.2 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.9 | -33.9 | 176.5 | -63.9 | 170.5 | 0 | 0 | 0 | 111.3 | A401 E402 R409 | A401-I405 PolarHBondContact O-N 3.48Å; E402-I405 PolarHBondContact O-N 3.06Å; I405-R409 PolarHBondContact O-N 2.99Å |
| 406 | K | 85.7 | Confident | 78.4 | Confident | 151 Ų | 151 | 118.9 Ų | 118.9 | 66% | 0.657 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -69.9 | -36.6 | 178.4 | -158.4 | 173.8 | -174.2 | 178.1 | 0 | 112.3 | E402 Q403 K404 L410 | E402-K406 PolarHBondContact O-N 3.46Å; Q403-K406 WeakPolarHBondContact O-CB 3.42Å; Q403-K406 PolarHBondContact O-N 2.86Å; K404-K406 PolarHBondContact O-N 3.17Å; K406-L410 WeakPolarHBondContact O-CG 3.33Å; K406-L410 PolarHBondContact O-N 3Å |
| 407 | I | 78.7 | Confident | 77.3 | Confident | 93 Ų | 93 | 121.1 Ų | 121.1 | 48% | 0.477 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.2 | -46.2 | 176.4 | -68.7 | 167.9 | 0 | 0 | 0 | 110.6 | Q403 K404 R409 L410 E411 | Q403-I407 WeakPolarHBondContact O-CG1 3.46Å; Q403-I407 PolarHBondContact O-N 2.89Å; Q403-I407 VanDerWaalsContact O-N 3.09Å; K404-I407 PolarHBondContact O-N 3.47Å; I407-R409 VanDerWaalsContact C-N 3.29Å; I407-R409 PolarHBondContact O-N 3.32Å; I407-L410 PolarHBondContact O-N 3.45Å; I407-E411 PolarHBondContact O-N 2.96Å |
| 408 | D | 79.2 | Confident | 76.2 | Confident | 95 Ų | 95 | 122.4 Ų | 122.4 | 51% | 0.508 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.7 | -35.5 | -179.1 | -71.3 | -13.7 | 0 | 0 | 0 | 112.7 | K404 Q412 | K404-D408 PolarHBondContact O-N 3.49Å; D408-Q412 PolarHBondContact O-N 2.88Å |
| 409 | R | 78.9 | Confident | 74.8 | Confident | 175 Ų | 175 | 122.4 Ų | 122.4 | 66% | 0.66 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.9 | -40.3 | 173.7 | -74.5 | -175.4 | -169.8 | 164.5 | 5.2 | 112.6 | I405 I407 Q412 E413 | I405-R409 PolarHBondContact O-N 2.99Å; I407-R409 VanDerWaalsContact C-N 3.29Å; I407-R409 PolarHBondContact O-N 3.32Å; R409-Q412 PolarHBondContact O-N 3.35Å; R409-E413 PolarHBondContact O-N 2.93Å |
| 410 | L | 77.1 | Confident | 73.1 | Confident | 103 Ų | 103 | 122.6 Ų | 122.6 | 54% | 0.539 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.9 | -33.9 | 179.1 | -74.3 | 170.8 | 0 | 0 | 0 | 112 | K406 I407 E413 K414 | K406-L410 WeakPolarHBondContact O-CG 3.33Å; K406-L410 PolarHBondContact O-N 3Å; I407-L410 PolarHBondContact O-N 3.45Å; L410-E413 PolarHBondContact O-N 3.27Å; L410-K414 WeakPolarHBondContact O-CB 3.39Å; L410-K414 PolarHBondContact O-N 2.95Å |
| 411 | E | 78.2 | Confident | 71.2 | Confident | 123 Ų | 123 | 123.8 Ų | 123.8 | 58% | 0.575 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.6 | -37 | 173.8 | -72.8 | -165 | 157.1 | 0 | 0 | 112.8 | I407 K414 T415 | I407-E411 PolarHBondContact O-N 2.96Å; E411-K414 PolarHBondContact O-N 3.48Å; E411-T415 PolarHBondContact O-N 3.04Å; E411-T415 PolarHBondContact O-OG1 3.31Å |
| 412 | Q | 76 | Confident | 69.5 | Low | 124 Ų | 124 | 129.4 Ų | 129.4 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.6 | -36.3 | 171.9 | -75 | -174.4 | 6.1 | 0 | 0 | 112.7 | D408 R409 T415 R416 | D408-Q412 PolarHBondContact O-N 2.88Å; R409-Q412 PolarHBondContact O-N 3.35Å; Q412-T415 WeakPolarHBondContact CA-OG1 3.44Å; Q412-T415 PolarHBondContact O-OG1 3.32Å; Q412-T415 VanDerWaalsContact O-OG1 3.07Å; Q412-R416 WeakPolarHBondContact O-CG 3.4Å; Q412-R416 PolarHBondContact O-N 2.93Å |
| 413 | E | 73.7 | Confident | 67.7 | Low | 107 Ų | 107 | 130.3 Ų | 130.3 | 50% | 0.5 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.2 | -43.5 | 171.8 | -85.6 | -177.4 | 158.1 | 0 | 0 | 111.8 | R409 L410 T415 R416 F417 | R409-E413 PolarHBondContact O-N 2.93Å; L410-E413 PolarHBondContact O-N 3.27Å; E413-T415 VanDerWaalsContact C-N 3.29Å; E413-T415 PolarHBondContact O-N 2.95Å; E413-R416 PolarHBondContact O-N 3.5Å; E413-F417 VanDerWaalsContact O-CD2 3.3Å; E413-F417 WeakPolarHBondContact O-CD2 3.48Å; E413-F417 PolarHBondContact O-N 3.35Å |
| 414 | K | 75.8 | Confident | 65.7 | Low | 144 Ų | 144 | 130.7 Ų | 130.7 | 63% | 0.626 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -58.7 | -40.4 | 177.9 | -174.6 | 179 | 177.5 | -176 | 0 | 112.2 | L410 E411 F417 L418 | L410-K414 WeakPolarHBondContact O-CB 3.39Å; L410-K414 PolarHBondContact O-N 2.95Å; E411-K414 PolarHBondContact O-N 3.48Å; K414-F417 PolarHBondContact O-N 2.93Å; K414-L418 HydrophobicContact CG-CD1 4.23Å; K414-L418 PolarHBondContact O-N 3.49Å; K414-L418 VanDerWaalsContact O-N 3.1Å |
| 415 | T | 67.3 | Low | 63.5 | Low | 87 Ų | 87 | 131.1 Ų | 131.1 | 53% | 0.534 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.8 | -27.8 | 176.2 | 40.8 | 0 | 0 | 0 | 0 | 113 | E411 Q412 E413 | E411-T415 PolarHBondContact O-N 3.04Å; E411-T415 PolarHBondContact O-OG1 3.31Å; Q412-T415 WeakPolarHBondContact CA-OG1 3.44Å; Q412-T415 PolarHBondContact O-OG1 3.32Å; Q412-T415 VanDerWaalsContact O-OG1 3.07Å; E413-T415 VanDerWaalsContact C-N 3.29Å; E413-T415 PolarHBondContact O-N 2.95Å |
| 416 | R | 62.4 | Low | 61 | Low | 184 Ų | 184 | 136.1 Ų | 136.1 | 69% | 0.694 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.5 | -36.3 | 171.3 | -74.6 | 179.6 | -177.9 | -173.3 | 2.2 | 113 | Q412 E413 | Q412-R416 WeakPolarHBondContact O-CG 3.4Å; Q412-R416 PolarHBondContact O-N 2.93Å; E413-R416 PolarHBondContact O-N 3.5Å |
| 417 | F | 58.2 | Low | 58.4 | Low | 134 Ų | 134 | 136.9 Ų | 136.9 | 59% | 0.588 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -70.3 | -39.8 | 176.7 | -85.3 | -75.4 | 0 | 0 | 0 | 112.6 | E413 K414 N419 N420 D421 | E413-F417 VanDerWaalsContact O-CD2 3.3Å; E413-F417 WeakPolarHBondContact O-CD2 3.48Å; E413-F417 PolarHBondContact O-N 3.35Å; K414-F417 PolarHBondContact O-N 2.93Å; F417-N419 PolarHBondContact O-N 3.48Å; F417-N420 PolarHBondContact O-N 2.95Å; F417-N420 VanDerWaalsContact O-N 3.09Å; F417-D421 PolarHBondContact O-N 3.07Å |
| 418 | L | 57.6 | Low | 56.4 | Low | 114 Ų | 114 | 138.5 Ų | 138.5 | 60% | 0.597 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -65.1 | -22.4 | 177.6 | -80 | 162.1 | 0 | 0 | 0 | 114 | K414 | K414-L418 HydrophobicContact CG-CD1 4.23Å; K414-L418 PolarHBondContact O-N 3.49Å; K414-L418 VanDerWaalsContact O-N 3.1Å |
| 419 | N | 52.5 | Low | 54 | Low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -86 | -13.9 | 174.5 | -84.7 | -13.3 | 0 | 0 | 0 | 114.2 | F417 | F417-N419 PolarHBondContact O-N 3.48Å |
| 420 | N | 47.4 | Very low | 51.7 | Low | 128 Ų | 128 | 138.1 Ų | 138.1 | 68% | 0.684 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -101.8 | -20.4 | 179.1 | -89 | -8.9 | 0 | 0 | 0 | 114.2 | F417 H422 | F417-N420 PolarHBondContact O-N 2.95Å; F417-N420 VanDerWaalsContact O-N 3.09Å; N420-H422 PolarHBondContact O-N 3.45Å |
| 421 | D | 43.3 | Very low | 49.5 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -0.6 | 179.1 | -79.5 | -17.5 | 0 | 0 | 0 | 114.6 | F417 L423 | F417-D421 PolarHBondContact O-N 3.07Å; D421-L423 VanDerWaalsContact C-N 3.34Å |
| 422 | H | 43.6 | Very low | 47.4 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 80% | 0.801 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -0.4 | 173.3 | -106.2 | -36.7 | 0 | 0 | 0 | 115.4 | N420 | N420-H422 PolarHBondContact O-N 3.45Š|
| 423 | L | 40 | Very low | 45.3 | Very low | 160 Ų | 160 | 139.2 Ų | 139.2 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -114.8 | -4.3 | 179.8 | -112.6 | 85.2 | 0 | 0 | 0 | 116.7 | D421 | D421-L423 VanDerWaalsContact C-N 3.34Š|
| 424 | I | 38.2 | Very low | 43.6 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -138.5 | 71.7 | -176.7 | -47.2 | 178.5 | 0 | 0 | 0 | 110.9 | ||
| 425 | N | 37.4 | Very low | 41.5 | Very low | 153 Ų | 153 | 143.1 Ų | 143.1 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | trans | -157.9 | 84.8 | 153.3 | -113.6 | -20.2 | 0 | 0 | 0 | 111.1 | ||||
| 426 | K | 31.1 | Very low | 39.9 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 88% | 0.883 | 74% | 0.736 | S | S | * | * | trans | -139.2 | 49.7 | 165.1 | -142.3 | -177.4 | -164.7 | 179.5 | 0 | 109.3 | ||||
| 427 | Q | 30.4 | Very low | 38.5 | Very low | 166 Ų | 166 | 143.2 Ų | 143.2 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | trans | -164.7 | 135.7 | 168.7 | -113.3 | 142.8 | -2.8 | 0 | 0 | 112.3 | ||||
| 428 | T | 36.1 | Very low | 37.4 | Very low | 127 Ų | 127 | 143.5 Ų | 143.5 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | trans | 70.5 | 100.7 | 164.2 | 63.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 429 | N | 29.8 | Very low | 36.1 | Very low | 167 Ų | 167 | 145.4 Ų | 145.4 | 89% | 0.893 | 76% | 0.755 | S | S | * | * | 57.3 | 126.5 | 77.5 | -81.9 | -7.4 | 0 | 0 | 0 | 115.2 | |||||
| 430 | S | 28.8 | Very low | 35.2 | Very low | 96 Ų | 96 | 147.5 Ų | 147.5 | 67% | 0.671 | 76% | 0.76 | S | S | * | * | trans | 94.7 | 119.7 | 148 | -149.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 431 | N | 31.3 | Very low | 34.6 | Very low | 136 Ų | 136 | 148.6 Ų | 148.6 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | 68.3 | 134.5 | 146.1 | -62.1 | -4.3 | 0 | 0 | 0 | 117.7 | ||||
| 432 | D | 34.3 | Very low | 34.3 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 67% | 0.668 | 76% | 0.761 | S | S | * | * | cis | -162.5 | 143.3 | 23.1 | -101.6 | -38.1 | 0 | 0 | 0 | 110.6 | ||||
| 433 | N | 32.2 | Very low | 34 | Very low | 111 Ų | 111 | 148.4 Ų | 148.4 | 59% | 0.594 | 77% | 0.765 | S | S | * | * | trans | 45.4 | 83.2 | 133.7 | -69.7 | -53.2 | 0 | 0 | 0 | 121.4 | ||||
| 434 | I | 37.6 | Very low | 33.8 | Very low | 169 Ų | 169 | 146 Ų | 146 | 87% | 0.867 | 76% | 0.762 | S | S | * | * | -152.1 | 100.4 | 126.4 | -57.3 | -173.5 | 0 | 0 | 0 | 104.1 | |||||
| 435 | K | 31.3 | Very low | 33.8 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | cis | 59.9 | 79.3 | 41.2 | -105.8 | -172 | -173.1 | 178.3 | 0 | 113.2 | ||||
| 436 | L | 34.1 | Very low | 33.6 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 71% | 0.712 | 76% | 0.757 | S | S | * | * | 177.8 | 110.2 | 103.7 | -107.8 | 81.2 | 0 | 0 | 0 | 108 | |||||
| 437 | L | 34.1 | Very low | 33.8 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | 76.8 | 131 | 114.1 | -62.6 | 171.1 | 0 | 0 | 0 | 113.6 | |||||
| 438 | L | 33.9 | Very low | 34.1 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | cis | -166.4 | 127.2 | -1.9 | -92.5 | 159 | 0 | 0 | 0 | 101.7 | ||||
| 439 | N | 30.4 | Very low | 33.9 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | 52.7 | 93.6 | 67.2 | -81.7 | 1.8 | 0 | 0 | 0 | 114.4 | |||||
| 440 | E | 34.3 | Very low | 34.1 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 86% | 0.855 | 73% | 0.73 | S | S | * | * | -144.9 | 144.6 | 129.1 | -81.1 | -169.3 | -178.4 | 0 | 0 | 105.5 | |||||
| 441 | E | 35 | Very low | 34.4 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 71% | 0.71 | 73% | 0.731 | S | S | * | * | cis | 175.9 | 147.8 | -19.8 | -133.3 | -174 | -155.6 | 0 | 0 | 103.9 | ||||
| 442 | N | 36.1 | Very low | 34.6 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 65% | 0.652 | 74% | 0.737 | S | S | * | * | trans | 70.9 | 107.6 | 160.4 | -47.5 | -40.5 | 0 | 0 | 0 | 116.2 | ||||
| 443 | L | 37 | Very low | 35 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 89% | 0.885 | 75% | 0.748 | S | S | * | * | -155.7 | 109.7 | 61 | -81.3 | 159.1 | 0 | 0 | 0 | 111.7 | |||||
| 444 | S | 35.6 | Very low | 35.1 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | trans | 18.9 | 156.9 | 132.2 | -68.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 445 | P | 39.1 | Very low | 35.4 | Very low | 108 Ų | 108 | 138.4 Ų | 138.4 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -111.8 | -179.3 | -158.1 | 42.4 | -28.6 | 0 | 0 | 0 | 112.9 | ||||
| 446 | I | 33.3 | Very low | 35.9 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | 170.7 | 109.3 | 150 | -84.5 | 143.2 | 0 | 0 | 0 | 103.7 | I448 | I446-I448 HydrophobicContact CG2-CG1 4.14Š| ||
| 447 | N | 34.4 | Very low | 36 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 66% | 0.663 | 77% | 0.766 | S | S | * | * | cis | 61.2 | 81.8 | 44 | -158.3 | 9.3 | 0 | 0 | 0 | 115.8 | N449 | N447-N449 PolarHBondContact OD1-ND2 2.9Š| ||
| 448 | I | 37.7 | Very low | 36.4 | Very low | 152 Ų | 152 | 143.5 Ų | 143.5 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | -149.5 | 94.8 | 148.3 | -49.3 | 179.1 | 0 | 0 | 0 | 106.4 | I446 | I446-I448 HydrophobicContact CG2-CG1 4.14Š| ||
| 449 | N | 32.3 | Very low | 36.8 | Very low | 97 Ų | 97 | 145.8 Ų | 145.8 | 52% | 0.519 | 78% | 0.776 | S | S | . | * | 52.3 | 112.5 | 76.3 | -84.9 | -39.7 | 0 | 0 | 0 | 116.7 | N447 | N447-N449 PolarHBondContact OD1-ND2 2.9Š| |||
| 450 | K | 34.1 | Very low | 37.7 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | 87.5 | 143.1 | 121.7 | -72.3 | 175.6 | -178.2 | 179.3 | 0 | 121.3 | |||||
| 451 | A | 34.9 | Very low | 38.7 | Very low | 86 Ų | 86 | 141.5 Ų | 141.5 | 71% | 0.711 | 77% | 0.77 | S | S | * | * | trans | 87.5 | 105.6 | 140.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 452 | N | 35 | Very low | 39.5 | Very low | 158 Ų | 158 | 140 Ų | 140 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | 63.5 | 104 | 83.7 | -81.7 | -11.8 | 0 | 0 | 0 | 113.1 | |||||
| 453 | T | 43.7 | Very low | 40.4 | Very low | 145 Ų | 145 | 141.8 Ų | 141.8 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -155.1 | 94.8 | 141.2 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 454 | S | 33.2 | Very low | 41.4 | Very low | 115 Ų | 115 | 137 Ų | 137 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -91.1 | 174 | 148.8 | -45.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 455 | P | 43.9 | Very low | 42.5 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | -115.9 | 138 | -95.5 | 32.1 | -15.6 | 0 | 0 | 0 | 112.5 | H457 | P455-H457 PolarHBondContact O-N 2.91Š| |||
| 456 | T | 41.4 | Very low | 43.5 | Very low | 129 Ų | 129 | 137.2 Ų | 137.2 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -96.8 | 85.8 | 176.1 | -25.5 | 0 | 0 | 0 | 0 | 110.2 | R458 | T456-R458 VanDerWaalsContact C-N 3.29Å; T456-R458 HydrophobicContact CG2-CG 4.41Å; T456-R458 PolarHBondContact O-N 3.35Å | ||
| 457 | H | 37.7 | Very low | 44.8 | Very low | 190 Ų | 190 | 136.9 Ų | 136.9 | 88% | 0.88 | 74% | 0.735 | S | S | * | * | trans | -64.3 | 91.9 | 160.6 | -121.7 | -46.1 | 0 | 0 | 0 | 107.6 | P455 K459 | P455-H457 PolarHBondContact O-N 2.91Å; H457-K459 PolarHBondContact O-N 3.34Å | ||
| 458 | R | 40.6 | Very low | 45.9 | Very low | 225 Ų | 225 | 134.3 Ų | 134.3 | 85% | 0.849 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 116.4 | 168.7 | -80.8 | -174 | 175.7 | -174.8 | -0.1 | 108 | T456 | T456-R458 VanDerWaalsContact C-N 3.29Å; T456-R458 HydrophobicContact CG2-CG 4.41Å; T456-R458 PolarHBondContact O-N 3.35Å |
| 459 | K | 43.9 | Very low | 46.7 | Very low | 189 Ų | 189 | 133.8 Ų | 133.8 | 82% | 0.822 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 148.1 | 166.7 | -73.9 | 179.4 | 175.3 | -179.6 | 0 | 110.2 | H457 V461 | H457-K459 PolarHBondContact O-N 3.34Å; K459-V461 PolarHBondContact O-N 3.07Å |
| 460 | P | 49.5 | Very low | 47.7 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130.4 | 176.9 | 26.5 | -32.8 | 0 | 0 | 0 | 109.5 | ||
| 461 | V | 54 | Low | 48.4 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 75% | 0.752 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 130.1 | 173.9 | 171.7 | 0 | 0 | 0 | 0 | 108 | K459 E463 | K459-V461 PolarHBondContact O-N 3.07Å; V461-E463 PolarHBondContact O-N 3.48Å; V461-E463 VanDerWaalsContact O-N 3.09Å |
| 462 | D | 52 | Low | 49.5 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | trans | -46.2 | 111.8 | 179.6 | -69.7 | -52.9 | 0 | 0 | 0 | 112.2 | A464 I465 | D462-A464 HydrophobicContact CB-CB 4.3Å; D462-A464 PolarHBondContact O-N 2.98Å; D462-I465 PolarHBondContact O-N 3.16Å | ||
| 463 | E | 55.5 | Low | 50.3 | Low | 159 Ų | 159 | 143.5 Ų | 143.5 | 74% | 0.743 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -53.1 | -15 | 169.2 | -127 | 158.9 | -175.3 | 0 | 0 | 112.5 | V461 I465 I466 Q467 | V461-E463 PolarHBondContact O-N 3.48Å; V461-E463 VanDerWaalsContact O-N 3.09Å; E463-I465 VanDerWaalsContact C-N 3.33Å; E463-I465 PolarHBondContact O-N 3.34Å; E463-I466 PolarHBondContact O-N 3.36Å; E463-Q467 PolarHBondContact O-N 3.26Å |
| 464 | A | 58.8 | Low | 50.3 | Low | 68 Ų | 68 | 149.8 Ų | 149.8 | 56% | 0.562 | 76% | 0.76 | S | S | * | * | H | α-helix | trans | -63.6 | -30 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | D462 A468 | D462-A464 HydrophobicContact CB-CB 4.3Å; D462-A464 PolarHBondContact O-N 2.98Å; A464-A468 PolarHBondContact O-N 3.49Å |
| 465 | I | 57.5 | Low | 51.2 | Low | 107 Ų | 107 | 151.5 Ų | 151.5 | 55% | 0.549 | 76% | 0.758 | S | S | . | * | H | α-helix | trans | -74.8 | -33.4 | 177.5 | -62.5 | 179.9 | 0 | 0 | 0 | 110.7 | D462 E463 A468 | D462-I465 PolarHBondContact O-N 3.16Å; E463-I465 VanDerWaalsContact C-N 3.33Å; E463-I465 PolarHBondContact O-N 3.34Å; I465-A468 PolarHBondContact O-N 3.35Å |
| 466 | I | 59.4 | Low | 51.6 | Low | 115 Ų | 115 | 153.1 Ų | 153.1 | 59% | 0.59 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -72.6 | -36.4 | 178.7 | -60.7 | 178.8 | 0 | 0 | 0 | 110.5 | E463 | E463-I466 PolarHBondContact O-N 3.36Å |
| 467 | Q | 60.5 | Low | 52.1 | Low | 145 Ų | 145 | 154.4 Ų | 154.4 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -74.7 | -23.4 | 175.4 | -72.8 | -170.1 | 4.2 | 0 | 0 | 114.3 | E463 I469 Q470 | E463-Q467 PolarHBondContact O-N 3.26Å; Q467-I469 VanDerWaalsContact C-N 3.29Å; Q467-I469 PolarHBondContact O-N 2.83Å; Q467-Q470 PolarHBondContact O-N 3.44Å |
| 468 | A | 58.1 | Low | 53 | Low | 70 Ų | 70 | 152.3 Ų | 152.3 | 58% | 0.579 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -71.9 | -22.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A464 I465 | A464-A468 PolarHBondContact O-N 3.49Å; I465-A468 PolarHBondContact O-N 3.35Å |
| 469 | I | 54.5 | Low | 53.8 | Low | 141 Ų | 141 | 147.8 Ų | 147.8 | 72% | 0.723 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -86.4 | -14.1 | -179.2 | -62.6 | 173.6 | 0 | 0 | 0 | 112 | Q467 R471 | Q467-I469 VanDerWaalsContact C-N 3.29Å; Q467-I469 PolarHBondContact O-N 2.83Å; I469-R471 VanDerWaalsContact C-N 3.35Å; I469-R471 PolarHBondContact O-N 3.3Å |
| 470 | Q | 53.3 | Low | 54.4 | Low | 151 Ų | 151 | 145 Ų | 145 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 19.1 | 179.2 | -70.3 | -175.8 | -12.5 | 0 | 0 | 114.7 | Q467 P472 | Q467-Q470 PolarHBondContact O-N 3.44Å; Q470-P472 WeakPolarHBondContact O-CD 3.33Å |
| 471 | R | 48.2 | Very low | 54.8 | Low | 209 Ų | 209 | 146.6 Ų | 146.6 | 79% | 0.789 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 116.1 | 171.7 | -76.3 | -169.9 | 179 | -171.6 | 1 | 110.9 | I469 R473 | I469-R471 VanDerWaalsContact C-N 3.35Å; I469-R471 PolarHBondContact O-N 3.3Å; R471-R473 PolarHBondContact O-N 2.77Å |
| 472 | P | 58.1 | Low | 54.8 | Low | 122 Ų | 122 | 148.3 Ų | 148.3 | 79% | 0.792 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 119.7 | 175.8 | 26.2 | -31.2 | 0 | 0 | 0 | 109.3 | Q470 | Q470-P472 WeakPolarHBondContact O-CD 3.33Š|
| 473 | R | 52.5 | Low | 55.1 | Low | 244 Ų | 244 | 150.7 Ų | 150.7 | 92% | 0.921 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 116.1 | 165.6 | -78.3 | -177.8 | 171.7 | 174 | -1.7 | 107.3 | R471 | R471-R473 PolarHBondContact O-N 2.77Š|
| 474 | K | 44.7 | Very low | 55 | Low | 277 Ų | 277 | 149.9 Ų | 149.9 | 100% | 1.204 | 74% | 0.736 | S | S | * | * | trans | 84.4 | 0 | 179.1 | -63.4 | -174.4 | 175.3 | -177.6 | 0 | 116.2 |
Retrieved 474 of 474 residues in 267.5 ms
(Link to these results)