| 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 | 36.4 | Very low | 41.3 | Very low | 231 Ų | 231 | 138.2 Ų | 138.2 | 100% | 1.138 | 75% | 0.746 | S | S | * | * | 0 | 76.9 | 0 | -70.7 | -168.1 | -177.1 | 0 | 0 | 110.8 | D3 | M1-D3 PolarHBondContact N-OD1 3.38Å; M1-D3 PolarHBondContact N-OD2 3.48Å | |||
| 2 | A | 41.2 | Very low | 40.9 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | cis | -134.7 | 128.3 | -12.1 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 3 | D | 43.1 | Very low | 40.7 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | 64 | 127.6 | 81.9 | -39 | -38 | 0 | 0 | 0 | 109 | M1 | M1-D3 PolarHBondContact N-OD1 3.38Å; M1-D3 PolarHBondContact N-OD2 3.48Å | |||
| 4 | D | 46.3 | Very low | 42.2 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | cis | -166.2 | 167 | 21.7 | -135.2 | -40.8 | 0 | 0 | 0 | 112.6 | ||||
| 5 | Q | 47.2 | Very low | 41.6 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | trans | 58.7 | 148.6 | 150 | -78.2 | 150.2 | 56.1 | 0 | 0 | 122.2 | ||||
| 6 | D | 42 | Very low | 41 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | cis | -160.4 | 170.2 | -19.7 | -150.9 | 25.7 | 0 | 0 | 0 | 112.7 | ||||
| 7 | L | 41.3 | Very low | 40.7 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 71% | 0.712 | 75% | 0.752 | S | S | * | * | trans | -16.7 | 161.3 | 169.7 | -60.6 | 167.9 | 0 | 0 | 0 | 120.9 | ||||
| 8 | S | 42 | Very low | 40.5 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -143.9 | 161.1 | 14.4 | 66.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 9 | E | 37 | Very low | 40.3 | Very low | 158 Ų | 158 | 133.9 Ų | 133.9 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 52.9 | 140 | 58.9 | -58.7 | -173.1 | 137.9 | 0 | 0 | 113.2 | |||||
| 10 | V | 41.8 | Very low | 40 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | cis | -155 | 132.9 | 16.5 | 94.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 11 | E | 35.5 | Very low | 39.9 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | 87.4 | 136.7 | 89.2 | -169.3 | 171.2 | -155.1 | 0 | 0 | 117.8 | |||||
| 12 | M | 36.5 | Very low | 39.8 | Very low | 166 Ų | 166 | 131.9 Ų | 131.9 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | 68.7 | 143.9 | 158.8 | -83 | 176.6 | -170 | 0 | 0 | 125.1 | ||||
| 13 | S | 38.7 | Very low | 39.6 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | -116.4 | -162.4 | 155.9 | -40.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 14 | P | 61.7 | Low | 39.5 | Very low | 114 Ų | 114 | 134.9 Ų | 134.9 | 74% | 0.74 | 75% | 0.754 | S | S | * | * | cis | -131.2 | -153 | -24.1 | 39.5 | -20.3 | 0 | 0 | 0 | 111.4 | ||||
| 15 | V | 33.6 | Very low | 39.6 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | 78.1 | 144.5 | 165.3 | 115.8 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 16 | G | 31.2 | Very low | 38.8 | Very low | 57 Ų | 57 | 131.1 Ų | 131.1 | 59% | 0.588 | 76% | 0.762 | S | S | * | * | cis | 173.7 | 177 | -8.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 17 | S | 36.9 | Very low | 39.8 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | 63.7 | 166.5 | 173.7 | -68.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 18 | E | 36 | Very low | 39.5 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | cis | -149.2 | 167.6 | -4.7 | 20.5 | -154.9 | 65.6 | 0 | 0 | 110.7 | ||||
| 19 | D | 36.7 | Very low | 39.3 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -63.1 | 162.9 | -179.4 | -64 | -102.6 | 0 | 0 | 0 | 115.1 | ||||
| 20 | H | 35 | Very low | 39.1 | Very low | 164 Ų | 164 | 129.2 Ų | 129.2 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | 170.4 | 149.3 | 108.8 | -95.2 | -76.3 | 0 | 0 | 0 | 116.4 | |||||
| 21 | H | 37.4 | Very low | 38.8 | Very low | 177 Ų | 177 | 128.9 Ų | 128.9 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | trans | 79.3 | 131.7 | 157.2 | -65.4 | -54 | 0 | 0 | 0 | 122.3 | ||||
| 22 | C | 34.4 | Very low | 38.7 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 78% | 0.784 | 78% | 0.779 | S | S | * | * | trans | -94.8 | 168 | 171.7 | -39.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 23 | L | 36.7 | Very low | 38.6 | Very low | 170 Ų | 170 | 127.5 Ų | 127.5 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | 174.5 | 140.6 | 114.3 | -93.1 | 168.8 | 0 | 0 | 0 | 112.1 | |||||
| 24 | S | 41.2 | Very low | 38.5 | Very low | 110 Ų | 110 | 127.4 Ų | 127.4 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -86.9 | 158.1 | 158.4 | -51.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 25 | P | 48.2 | Very low | 38 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | -146 | 160.2 | 128.8 | 38.1 | -24.6 | 0 | 0 | 0 | 116.3 | |||||
| 26 | G | 32.1 | Very low | 38.1 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | trans | -162.9 | -176.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 27 | P | 61.7 | Low | 38.2 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | cis | -129.5 | -161.7 | -10.1 | 37.6 | -19.1 | 0 | 0 | 0 | 111.9 | ||||
| 28 | S | 35.3 | Very low | 38 | Very low | 91 Ų | 91 | 131.9 Ų | 131.9 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | 119.4 | 169.6 | 145 | -48.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 29 | M | 37.1 | Very low | 37.7 | Very low | 181 Ų | 181 | 126.7 Ų | 126.7 | 89% | 0.892 | 77% | 0.774 | S | S | * | * | trans | 78.2 | 132.7 | 173.8 | -16.3 | -55.5 | 172.9 | 0 | 0 | 118.5 | ||||
| 30 | A | 34 | Very low | 37.5 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -108.5 | 170.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 31 | S | 34.7 | Very low | 37.3 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | -170.3 | 162.2 | 117.3 | -124.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 32 | D | 33.1 | Very low | 37.5 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 4.5 | 143.7 | 158.3 | -54.3 | -80 | 0 | 0 | 0 | 119.8 | ||||
| 33 | N | 35 | Very low | 37.5 | Very low | 144 Ų | 144 | 121 Ų | 121 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | -167.4 | 166.8 | 59.1 | -164.9 | 4.8 | 0 | 0 | 0 | 113.3 | |||||
| 34 | S | 36.5 | Very low | 37.7 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -149.5 | 142.2 | 167.3 | -71.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 35 | P | 51.5 | Low | 37.6 | Very low | 112 Ų | 112 | 124.6 Ų | 124.6 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | -155 | 152.5 | 112 | 39.2 | -21.9 | 0 | 0 | 0 | 118.1 | |||||
| 36 | H | 34.7 | Very low | 37 | Very low | 167 Ų | 167 | 121.8 Ų | 121.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 72.6 | 128.6 | 137.2 | -93.3 | -129.2 | 0 | 0 | 0 | 125.5 | ||||
| 37 | L | 35.1 | Very low | 37.3 | Very low | 149 Ų | 149 | 128.6 Ų | 128.6 | 78% | 0.78 | 80% | 0.804 | S | S | * | * | trans | 86.1 | 125.1 | 130.7 | -87.9 | 170.1 | 0 | 0 | 0 | 123.7 | ||||
| 38 | A | 32.4 | Very low | 36.2 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | 65.5 | 150.1 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 39 | G | 29 | Very low | 36.4 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | cis | 161.4 | 149.8 | -9.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 40 | S | 33.1 | Very low | 36.5 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 97% | 0.972 | 79% | 0.79 | S | S | * | * | trans | 68.1 | 139 | 172.9 | -60 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 41 | G | 31 | Very low | 36.8 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | 150.5 | 95.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 42 | N | 40.9 | Very low | 37.1 | Very low | 184 Ų | 184 | 135.9 Ų | 135.9 | 98% | 0.984 | 79% | 0.789 | S | S | * | * | trans | -73.9 | 141.6 | 168.2 | -84.7 | 0.7 | 0 | 0 | 0 | 110.7 | ||||
| 43 | G | 33.8 | Very low | 37.4 | Very low | 80 Ų | 80 | 134 Ų | 134 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -153.1 | 132.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 44 | E | 41.6 | Very low | 37.5 | Very low | 177 Ų | 177 | 134 Ų | 134 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -96.5 | 169.2 | -170.2 | -168.1 | 171.1 | 81.5 | 0 | 0 | 112.6 | ||||
| 45 | M | 38 | Very low | 37.9 | Very low | 178 Ų | 178 | 133.2 Ų | 133.2 | 88% | 0.877 | 77% | 0.771 | S | S | * | * | trans | 83.1 | 125.5 | 170.9 | -46.2 | -173.1 | -164.4 | 0 | 0 | 116.9 | ||||
| 46 | G | 36.8 | Very low | 37.6 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | trans | 170.8 | 73.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V48 | G46-V48 PolarHBondContact O-N 3.3Š| ||
| 47 | K | 37.5 | Very low | 38.1 | Very low | 211 Ų | 211 | 129 Ų | 129 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | trans | -60.3 | 125.3 | -174.6 | -175.9 | 175.2 | -179.8 | 176.2 | 0 | 112.2 | ||||
| 48 | V | 39.9 | Very low | 38.8 | Very low | 119 Ų | 119 | 125.6 Ų | 125.6 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | trans | -69 | 134.9 | 179.4 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | G46 K50 | G46-V48 PolarHBondContact O-N 3.3Å; V48-K50 HydrophobicContact CG1-CB 4.34Å | ||
| 49 | K | 39.4 | Very low | 39.8 | Very low | 160 Ų | 160 | 124 Ų | 124 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | trans | -147.4 | 98.8 | 141.1 | -144.5 | -175.4 | 179.6 | -147.5 | 0 | 110.7 | E51 | K49-E51 HydrophobicContact CD-CG 4.38Å; K49-E51 VanDerWaalsContact CD-OE2 3.26Å; K49-E51 WeakPolarHBondContact CD-OE2 3.37Å; K49-E51 VanDerWaalsContact CE-OE1 3.26Å; K49-E51 WeakPolarHBondContact CE-OE1 3.41Å; K49-E51 WeakPolarHBondContact CE-OE2 3.25Å; K49-E51 HydrophobicContact CG-CG 4.22Å; K49-E51 IonicContact NZ-OE1 2.71Å; K49-E51 PolarHBondContact NZ-OE1 3.36Å; K49-E51 IonicContact NZ-OE2 2.66Å; K49-E51 PolarHBondContact NZ-OE2 3.46Å; K49-E51 PolarHBondContact O-N 3.4Å | ||
| 50 | K | 39.1 | Very low | 41.1 | Very low | 138 Ų | 138 | 126.7 Ų | 126.7 | 60% | 0.6 | 71% | 0.713 | S | S | * | * | trans | -96.4 | 62.1 | -173.8 | -167.6 | -161.5 | -179.7 | -162.6 | 0 | 111.1 | V48 Q52 Q53 | V48-K50 HydrophobicContact CG1-CB 4.34Å; K50-Q52 PolarHBondContact O-N 3.34Å; K50-Q53 HydrophobicContact CD-CB 4.46Å; K50-Q53 VanDerWaalsContact CE-OE1 3.25Å | ||
| 51 | E | 40.2 | Very low | 42.4 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 66% | 0.664 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 41.5 | -176.3 | -78.1 | 178.7 | 133.1 | 0 | 0 | 114.3 | K49 | K49-E51 HydrophobicContact CD-CG 4.38Å; K49-E51 VanDerWaalsContact CD-OE2 3.26Å; K49-E51 WeakPolarHBondContact CD-OE2 3.37Å; K49-E51 VanDerWaalsContact CE-OE1 3.26Å; K49-E51 WeakPolarHBondContact CE-OE1 3.41Å; K49-E51 WeakPolarHBondContact CE-OE2 3.25Å; K49-E51 HydrophobicContact CG-CG 4.22Å; K49-E51 IonicContact NZ-OE1 2.71Å; K49-E51 PolarHBondContact NZ-OE1 3.36Å; K49-E51 IonicContact NZ-OE2 2.66Å; K49-E51 PolarHBondContact NZ-OE2 3.46Å; K49-E51 PolarHBondContact O-N 3.4Å |
| 52 | Q | 40.8 | Very low | 43.5 | Very low | 189 Ų | 189 | 124.5 Ų | 124.5 | 88% | 0.883 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.7 | 43.2 | 172.7 | -123.5 | 156.2 | 35.8 | 0 | 0 | 114.3 | K50 | K50-Q52 PolarHBondContact O-N 3.34Š|
| 53 | Q | 39.6 | Very low | 45 | Very low | 103 Ų | 103 | 119.1 Ų | 119.1 | 48% | 0.481 | 64% | 0.639 | S | S | . | * | trans | -158.1 | 79.3 | 163.7 | -144.9 | 175.1 | 29.4 | 0 | 0 | 113.4 | K50 E56 | K50-Q53 HydrophobicContact CD-CB 4.46Å; K50-Q53 VanDerWaalsContact CE-OE1 3.25Å; Q53-E56 WeakPolarHBondContact CG-OE2 3.27Å; Q53-E56 PolarHBondContact NE2-OE2 3.4Å | ||
| 54 | D | 37.2 | Very low | 46.7 | Very low | 144 Ų | 144 | 119.9 Ų | 119.9 | 77% | 0.77 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -147 | -5.9 | 167.1 | -150.3 | 32.1 | 0 | 0 | 0 | 113.9 | ||
| 55 | S | 44.7 | Very low | 47.6 | Very low | 89 Ų | 89 | 115.4 Ų | 115.4 | 62% | 0.622 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -76.1 | -38.9 | 172 | 50.5 | 0 | 0 | 0 | 0 | 112.9 | A57 D58 | S55-A57 PolarHBondContact O-N 3.11Å; S55-D58 PolarHBondContact O-N 3.02Å |
| 56 | E | 44.3 | Very low | 48.9 | Very low | 116 Ų | 116 | 107.7 Ų | 107.7 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.8 | -22 | -171.1 | -55.3 | -172.9 | 123.2 | 0 | 0 | 113.4 | Q53 | Q53-E56 WeakPolarHBondContact CG-OE2 3.27Å; Q53-E56 PolarHBondContact NE2-OE2 3.4Å |
| 57 | A | 46.8 | Very low | 50.2 | Low | 73 Ų | 73 | 107.4 Ų | 107.4 | 60% | 0.603 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -78.7 | -22.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.2 | S55 | S55-A57 PolarHBondContact O-N 3.11Å |
| 58 | D | 47.8 | Very low | 51.8 | Low | 79 Ų | 79 | 102.4 Ų | 102.4 | 42% | 0.422 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -98.2 | -26.8 | -179.9 | -144.9 | -112.9 | 0 | 0 | 0 | 113.4 | S55 D60 K61 | S55-D58 PolarHBondContact O-N 3.02Å; D58-D60 VanDerWaalsContact C-N 3.28Å; D58-D60 PolarHBondContact O-N 3.4Å; D58-K61 WeakPolarHBondContact O-CB 3.49Å; D58-K61 PolarHBondContact O-N 3.19Å; D58-K61 VanDerWaalsContact O-N 3.1Å; D58-K61 IonicContact OD2-NZ 2.71Å; D58-K61 PolarHBondContact OD2-NZ 2.86Å |
| 59 | D | 53.5 | Low | 53 | Low | 65 Ų | 65 | 98.7 Ų | 98.7 | 35% | 0.348 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -53.2 | -43.3 | 172.4 | -90.8 | -48.6 | 0 | 0 | 0 | 112.5 | K61 F62 R67 | D59-K61 PolarHBondContact O-N 2.9Å; D59-K61 VanDerWaalsContact O-N 3.1Å; D59-F62 PolarHBondContact O-N 2.92Å; D59-R67 PolarHBondContact O-NH1 2.64Å |
| 60 | D | 56.5 | Low | 54.1 | Low | 123 Ų | 123 | 91.3 Ų | 91.3 | 66% | 0.658 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | 4.3 | -178.6 | -82 | -13.1 | 0 | 0 | 0 | 115.4 | D58 R67 | D58-D60 VanDerWaalsContact C-N 3.28Å; D58-D60 PolarHBondContact O-N 3.4Å; D60-R67 IonicContact OD1-CZ 2.72Å; D60-R67 VanDerWaalsContact OD1-CZ 3.31Å; D60-R67 IonicContact OD1-NH1 3.31Å; D60-R67 PolarHBondContact OD1-NH1 2.88Å; D60-R67 IonicContact OD1-NH2 2.69Å; D60-R67 PolarHBondContact OD1-NH2 2.9Å |
| 61 | K | 61.3 | Low | 55.5 | Low | 131 Ų | 131 | 88 Ų | 88 | 57% | 0.57 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.7 | 161.9 | -145.9 | 81 | 78.6 | -83.6 | 0 | 112.6 | D58 D59 | D58-K61 WeakPolarHBondContact O-CB 3.49Å; D58-K61 PolarHBondContact O-N 3.19Å; D58-K61 VanDerWaalsContact O-N 3.1Å; D58-K61 IonicContact OD2-NZ 2.71Å; D58-K61 PolarHBondContact OD2-NZ 2.86Å; D59-K61 PolarHBondContact O-N 2.9Å; D59-K61 VanDerWaalsContact O-N 3.1Å |
| 62 | F | 54.3 | Low | 56.8 | Low | 40 Ų | 40 | 86.2 Ų | 86.2 | 18% | 0.175 | 47% | 0.469 | C | S | . | . | S | Bend | trans | -112.1 | 137 | -165.5 | -60.9 | -82.2 | 0 | 0 | 0 | 113.3 | D59 V64 R67 L138 N140 | D59-F62 PolarHBondContact O-N 2.92Å; F62-V64 PolarHBondContact O-N 2.9Å; F62-R67 HydrophobicContact CB-CG 4.25Å; F62-R67 PolarHBondContact O-NH1 2.78Å; F62-L138 HydrophobicContact CD1-CB 4.42Å; F62-L138 WeakPolarHBondContact CD1-O 3.45Å; F62-N140 WeakPolarHBondContact CE2-OD1 3.42Å; F62-N140 VanDerWaalsContact CZ-OD1 3.3Å; F62-N140 WeakPolarHBondContact CZ-OD1 3.41Å |
| 63 | P | 72.9 | Confident | 58.1 | Low | 70 Ų | 70 | 77.8 Ų | 77.8 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | trans | -55.1 | 130.5 | 176.8 | -25.7 | 33.3 | 0 | 0 | 0 | 112.4 | C65 I66 R67 | P63-C65 PolarHBondContact O-N 3.17Å; P63-C65 VanDerWaalsContact O-N 3.11Å; P63-I66 HydrophobicContact CB-CD1 4.31Å; P63-I66 HydrophobicContact CB-CG1 4.26Å; P63-I66 HydrophobicContact CG-CD1 4.15Å; P63-I66 WeakPolarHBondContact O-CB 3.33Å; P63-I66 PolarHBondContact O-N 2.91Å; P63-R67 PolarHBondContact O-N 3.42Å | ||
| 64 | V | 68.3 | Low | 59.2 | Low | 96 Ų | 96 | 75.4 Ų | 75.4 | 58% | 0.582 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -51.6 | -40.6 | -175.1 | -179.2 | 0 | 0 | 0 | 0 | 112.6 | F62 I66 R67 E68 | F62-V64 PolarHBondContact O-N 2.9Å; V64-I66 PolarHBondContact O-N 3.07Å; V64-R67 PolarHBondContact O-N 2.92Å; V64-R67 VanDerWaalsContact O-N 3.15Å; V64-E68 WeakPolarHBondContact O-CB 3.35Å; V64-E68 PolarHBondContact O-N 2.71Å |
| 65 | C | 60.2 | Low | 60.4 | Low | 83 Ų | 83 | 73.5 Ų | 73.5 | 56% | 0.561 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.8 | -21 | 178.1 | 59.4 | 0 | 0 | 0 | 0 | 114.4 | P63 A69 | P63-C65 PolarHBondContact O-N 3.17Å; P63-C65 VanDerWaalsContact O-N 3.11Å; C65-A69 WeakPolarHBondContact O-CB 3.28Å; C65-A69 PolarHBondContact O-N 3.45Å; C65-A69 VanDerWaalsContact O-N 3.11Å |
| 66 | I | 65.8 | Low | 61 | Low | 16 Ų | 16 | 71.7 Ų | 71.7 | 8% | 0.082 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -81.1 | -48.2 | 172.9 | -57.9 | -175.7 | 0 | 0 | 0 | 109.6 | P63 V64 E68 A69 V70 L135 L138 | P63-I66 HydrophobicContact CB-CD1 4.31Å; P63-I66 HydrophobicContact CB-CG1 4.26Å; P63-I66 HydrophobicContact CG-CD1 4.15Å; P63-I66 WeakPolarHBondContact O-CB 3.33Å; P63-I66 PolarHBondContact O-N 2.91Å; V64-I66 PolarHBondContact O-N 3.07Å; I66-E68 VanDerWaalsContact C-N 3.26Å; I66-E68 PolarHBondContact O-N 3.09Å; I66-A69 PolarHBondContact O-N 3.36Å; I66-V70 HydrophobicContact CG2-CG2 4.3Å; I66-V70 VanDerWaalsContact O-CB 3.32Å; I66-V70 WeakPolarHBondContact O-CB 3.33Å; I66-V70 WeakPolarHBondContact O-CG2 3.24Å; I66-V70 PolarHBondContact O-N 3.16Å; I66-L135 HydrophobicContact CB-CD2 4.35Å; I66-L135 HydrophobicContact CD1-CD2 4.07Å; I66-L135 HydrophobicContact CG1-CD2 3.78Å; I66-L135 HydrophobicContact CG2-CD2 4Å; I66-L138 HydrophobicContact CD1-CB 3.77Å; I66-L138 HydrophobicContact CD1-CD1 3.47Å; I66-L138 VanDerWaalsContact CD1-CD1 3.47Å; I66-L138 HydrophobicContact CD1-CG 4.24Å; I66-L138 HydrophobicContact CG2-CB 4.38Å |
| 67 | R | 64.8 | Low | 61.8 | Low | 69 Ų | 69 | 66.7 Ų | 66.7 | 26% | 0.26 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.4 | -43.3 | 175.3 | -51.6 | -159.7 | -58.2 | -125.3 | 17.3 | 110.9 | D59 D60 F62 P63 V64 S71 | D59-R67 PolarHBondContact O-NH1 2.64Å; D60-R67 IonicContact OD1-CZ 2.72Å; D60-R67 VanDerWaalsContact OD1-CZ 3.31Å; D60-R67 IonicContact OD1-NH1 3.31Å; D60-R67 PolarHBondContact OD1-NH1 2.88Å; D60-R67 IonicContact OD1-NH2 2.69Å; D60-R67 PolarHBondContact OD1-NH2 2.9Å; F62-R67 HydrophobicContact CB-CG 4.25Å; F62-R67 PolarHBondContact O-NH1 2.78Å; P63-R67 PolarHBondContact O-N 3.42Å; V64-R67 PolarHBondContact O-N 2.92Å; V64-R67 VanDerWaalsContact O-N 3.15Å; R67-S71 VanDerWaalsContact O-CB 3.28Å; R67-S71 WeakPolarHBondContact O-CB 3.47Å; R67-S71 PolarHBondContact O-N 3.21Å; R67-S71 PolarHBondContact O-OG 3.28Å |
| 68 | E | 70.3 | Confident | 62.3 | Low | 106 Ų | 106 | 67.1 Ų | 67.1 | 50% | 0.495 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.7 | -54.4 | 176.2 | -168.3 | -164.5 | 166.5 | 0 | 0 | 112.1 | V64 I66 V70 S71 Q72 | V64-E68 WeakPolarHBondContact O-CB 3.35Å; V64-E68 PolarHBondContact O-N 2.71Å; I66-E68 VanDerWaalsContact C-N 3.26Å; I66-E68 PolarHBondContact O-N 3.09Å; E68-V70 PolarHBondContact O-N 2.95Å; E68-S71 PolarHBondContact O-N 2.79Å; E68-S71 VanDerWaalsContact O-N 3.16Å; E68-Q72 HydrophobicContact CG-CG 4.49Å; E68-Q72 WeakPolarHBondContact O-CB 3.46Å; E68-Q72 WeakPolarHBondContact O-CG 3.28Å; E68-Q72 PolarHBondContact O-N 3.45Å; E68-Q72 PolarHBondContact OE1-NE2 3.32Å |
| 69 | A | 64.9 | Low | 62.9 | Low | 40 Ų | 40 | 68.7 Ų | 68.7 | 33% | 0.331 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.4 | -33.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C65 I66 V73 | C65-A69 WeakPolarHBondContact O-CB 3.28Å; C65-A69 PolarHBondContact O-N 3.45Å; C65-A69 VanDerWaalsContact O-N 3.11Å; I66-A69 PolarHBondContact O-N 3.36Å; A69-V73 VanDerWaalsContact O-CG2 3.26Å; A69-V73 WeakPolarHBondContact O-CG2 3.18Å; A69-V73 PolarHBondContact O-N 3.11Å |
| 70 | V | 63.3 | Low | 63 | Low | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.036 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -74.6 | -43.4 | 177.7 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | I66 E68 Q72 V73 L74 L139 | I66-V70 HydrophobicContact CG2-CG2 4.3Å; I66-V70 VanDerWaalsContact O-CB 3.32Å; I66-V70 WeakPolarHBondContact O-CB 3.33Å; I66-V70 WeakPolarHBondContact O-CG2 3.24Å; I66-V70 PolarHBondContact O-N 3.16Å; E68-V70 PolarHBondContact O-N 2.95Å; V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 2.95Å; V70-V73 WeakPolarHBondContact O-CA 3.26Å; V70-V73 WeakPolarHBondContact O-CB 3.34Å; V70-V73 PolarHBondContact O-N 2.83Å; V70-V73 VanDerWaalsContact O-N 3.09Å; V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 HydrophobicContact CG1-CG 4.49Å; V70-L74 WeakPolarHBondContact O-CG 3.36Å; V70-L74 PolarHBondContact O-N 3.35Å; V70-L139 HydrophobicContact CB-CD2 4.05Å; V70-L139 HydrophobicContact CG1-CD2 3.57Å; V70-L139 HydrophobicContact CG2-CD2 3.38Å |
| 71 | S | 68.1 | Low | 63 | Low | 68 Ų | 68 | 69.4 Ų | 69.4 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 173 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | R67 E68 L74 S75 | R67-S71 VanDerWaalsContact O-CB 3.28Å; R67-S71 WeakPolarHBondContact O-CB 3.47Å; R67-S71 PolarHBondContact O-N 3.21Å; R67-S71 PolarHBondContact O-OG 3.28Å; E68-S71 PolarHBondContact O-N 2.79Å; E68-S71 VanDerWaalsContact O-N 3.16Å; S71-L74 PolarHBondContact O-N 3.38Å; S71-S75 VanDerWaalsContact O-CB 3.28Å; S71-S75 WeakPolarHBondContact O-CB 3.42Å; S71-S75 PolarHBondContact O-N 3.18Å; S71-S75 PolarHBondContact O-OG 2.84Å |
| 72 | Q | 68.3 | Low | 62.8 | Low | 105 Ų | 105 | 63.7 Ų | 63.7 | 49% | 0.491 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 172 | -71.7 | -176 | 15.8 | 0 | 0 | 112.2 | E68 V70 K115 | E68-Q72 HydrophobicContact CG-CG 4.49Å; E68-Q72 WeakPolarHBondContact O-CB 3.46Å; E68-Q72 WeakPolarHBondContact O-CG 3.28Å; E68-Q72 PolarHBondContact O-N 3.45Å; E68-Q72 PolarHBondContact OE1-NE2 3.32Å; V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 2.95Å; Q72-K115 PolarHBondContact O-NZ 3.22Å |
| 73 | V | 66.1 | Low | 62.8 | Low | 12 Ų | 12 | 65.5 Ų | 65.5 | 7% | 0.073 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62.8 | -51.3 | 171.3 | 166.3 | 0 | 0 | 0 | 0 | 110.4 | A69 V70 Y77 A111 A112 K115 | A69-V73 VanDerWaalsContact O-CG2 3.26Å; A69-V73 WeakPolarHBondContact O-CG2 3.18Å; A69-V73 PolarHBondContact O-N 3.11Å; V70-V73 WeakPolarHBondContact O-CA 3.26Å; V70-V73 WeakPolarHBondContact O-CB 3.34Å; V70-V73 PolarHBondContact O-N 2.83Å; V70-V73 VanDerWaalsContact O-N 3.09Å; V73-Y77 VanDerWaalsContact O-CB 3.24Å; V73-Y77 WeakPolarHBondContact O-CB 3.38Å; V73-A111 HydrophobicContact CG1-CB 4.01Å; V73-A112 HydrophobicContact CG1-CB 4.35Å; V73-A112 HydrophobicContact CG2-CB 3.86Å; V73-K115 HydrophobicContact CG2-CD 4.09Å; V73-K115 PolarHBondContact O-NZ 3.06Å |
| 74 | L | 64.4 | Low | 61.9 | Low | 53 Ų | 53 | 65.6 Ų | 65.6 | 28% | 0.277 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.3 | -52.5 | -176 | -71.2 | 168 | 0 | 0 | 0 | 113.6 | V70 S71 G76 W79 F147 | V70-L74 HydrophobicContact CG1-CD1 4Å; V70-L74 HydrophobicContact CG1-CG 4.49Å; V70-L74 WeakPolarHBondContact O-CG 3.36Å; V70-L74 PolarHBondContact O-N 3.35Å; S71-L74 PolarHBondContact O-N 3.38Å; L74-G76 PolarHBondContact O-N 3.11Å; L74-W79 HydrophobicContact CD2-CH2 4.03Å; L74-W79 HydrophobicContact CD2-CZ2 3.82Å; L74-F147 HydrophobicContact CD2-CE2 3.98Å; L74-F147 HydrophobicContact CD2-CZ 3.62Å |
| 75 | S | 62.4 | Low | 61.2 | Low | 104 Ų | 104 | 63.8 Ų | 63.8 | 73% | 0.727 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -64 | -36.3 | -173.3 | 50.6 | 0 | 0 | 0 | 0 | 114.2 | S71 | S71-S75 VanDerWaalsContact O-CB 3.28Å; S71-S75 WeakPolarHBondContact O-CB 3.42Å; S71-S75 PolarHBondContact O-N 3.18Å; S71-S75 PolarHBondContact O-OG 2.84Å |
| 76 | G | 57.2 | Low | 60.6 | Low | 51 Ų | 51 | 66 Ų | 66 | 53% | 0.526 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 38.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L74 K115 | L74-G76 PolarHBondContact O-N 3.11Å; G76-K115 WeakPolarHBondContact O-CE 3.48Å; G76-K115 PolarHBondContact O-NZ 3.27Å |
| 77 | Y | 59.6 | Low | 59.9 | Low | 11 Ų | 11 | 74.2 Ų | 74.2 | 4% | 0.043 | 41% | 0.408 | C | S | . | . | trans | -130.2 | 116 | 175.5 | -171.3 | -87 | 0 | 0 | 0 | 111.5 | V73 W79 L81 V82 A111 R114 | V73-Y77 VanDerWaalsContact O-CB 3.24Å; V73-Y77 WeakPolarHBondContact O-CB 3.38Å; Y77-W79 AromaticContact CD1-CD2 3.82Å; Y77-W79 HydrophobicContact CD1-CD2 3.82Å; Y77-W79 AromaticContact CD1-CE3 3.65Å; Y77-W79 HydrophobicContact CD1-CE3 3.65Å; Y77-W79 HydrophobicContact CD1-CG 4.42Å; Y77-W79 HydrophobicContact CD1-CH2 4.08Å; Y77-W79 HydrophobicContact CD1-CZ2 4.25Å; Y77-W79 AromaticContact CD1-CZ3 3.79Å; Y77-W79 HydrophobicContact CD1-CZ3 3.79Å; Y77-W79 HydrophobicContact CE1-CD2 4.36Å; Y77-W79 AromaticContact CE1-CE3 3.84Å; Y77-W79 HydrophobicContact CE1-CE3 3.84Å; Y77-W79 HydrophobicContact CE1-CZ3 4.06Å; Y77-W79 PolarHBondContact O-N 3.33Å; Y77-W79 PolarHBondContact O-NE1 3.03Å; Y77-L81 PolarHBondContact OH-O 3.07Å; Y77-V82 HydrophobicContact CE1-CG2 3.82Å; Y77-A111 HydrophobicContact CD1-CB 4.34Å; Y77-A111 HydrophobicContact CD2-CB 3.38Å; Y77-A111 HydrophobicContact CE1-CB 4.3Å; Y77-A111 HydrophobicContact CE2-CB 3.3Å; Y77-A111 HydrophobicContact CG-CB 3.92Å; Y77-R114 VanDerWaalsContact CE2-NH2 3.32Å | ||
| 78 | D | 59.3 | Low | 59 | Low | 81 Ų | 81 | 77.3 Ų | 77.3 | 43% | 0.433 | 43% | 0.434 | S | S | . | . | trans | -70.9 | 112.1 | 169.4 | 176.6 | -2 | 0 | 0 | 0 | 109.9 | T80 L81 | D78-T80 PolarHBondContact O-N 3.39Å; D78-T80 VanDerWaalsContact OD1-CB 3.31Å; D78-T80 WeakPolarHBondContact OD1-CB 3.45Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.39Å; D78-T80 PolarHBondContact OD1-N 2.9Å; D78-T80 PolarHBondContact OD1-OG1 3.05Å; D78-T80 PolarHBondContact OD2-OG1 3.15Å; D78-T80 VanDerWaalsContact OD2-OG1 3.07Å; D78-L81 HydrophobicContact CB-CD1 4.01Å; D78-L81 HydrophobicContact CB-CG 4.03Å; D78-L81 WeakPolarHBondContact O-CB 3.31Å; D78-L81 PolarHBondContact O-N 3.2Å | ||
| 79 | W | 59.1 | Low | 57.7 | Low | 112 Ų | 112 | 80.4 Ų | 80.4 | 42% | 0.424 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -67.8 | -20.8 | -178.1 | -59.4 | 101 | 0 | 0 | 0 | 113.7 | L74 Y77 L81 V82 F147 | L74-W79 HydrophobicContact CD2-CH2 4.03Å; L74-W79 HydrophobicContact CD2-CZ2 3.82Å; Y77-W79 AromaticContact CD1-CD2 3.82Å; Y77-W79 HydrophobicContact CD1-CD2 3.82Å; Y77-W79 AromaticContact CD1-CE3 3.65Å; Y77-W79 HydrophobicContact CD1-CE3 3.65Å; Y77-W79 HydrophobicContact CD1-CG 4.42Å; Y77-W79 HydrophobicContact CD1-CH2 4.08Å; Y77-W79 HydrophobicContact CD1-CZ2 4.25Å; Y77-W79 AromaticContact CD1-CZ3 3.79Å; Y77-W79 HydrophobicContact CD1-CZ3 3.79Å; Y77-W79 HydrophobicContact CE1-CD2 4.36Å; Y77-W79 AromaticContact CE1-CE3 3.84Å; Y77-W79 HydrophobicContact CE1-CE3 3.84Å; Y77-W79 HydrophobicContact CE1-CZ3 4.06Å; Y77-W79 PolarHBondContact O-N 3.33Å; Y77-W79 PolarHBondContact O-NE1 3.03Å; W79-L81 PolarHBondContact O-N 3.5Å; W79-V82 HydrophobicContact CE3-CG2 4.29Å; W79-V82 PolarHBondContact O-N 3.1Å; W79-V82 VanDerWaalsContact O-N 3.14Å; W79-F147 AromaticContact CH2-CE1 3.47Å; W79-F147 HydrophobicContact CH2-CE1 3.47Å; W79-F147 VanDerWaalsContact CH2-CE1 3.47Å; W79-F147 AromaticContact CH2-CZ 3.72Å; W79-F147 HydrophobicContact CH2-CZ 3.72Å; W79-F147 HydrophobicContact CZ3-CD1 4.32Å; W79-F147 AromaticContact CZ3-CE1 3.58Å; W79-F147 HydrophobicContact CZ3-CE1 3.58Å; W79-F147 HydrophobicContact CZ3-CZ 4.29Å |
| 80 | T | 56.1 | Low | 57 | Low | 116 Ų | 116 | 81.7 Ų | 81.7 | 71% | 0.712 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -64.9 | -23.2 | 171.3 | 75.1 | 0 | 0 | 0 | 0 | 111.6 | D78 V82 | D78-T80 PolarHBondContact O-N 3.39Å; D78-T80 VanDerWaalsContact OD1-CB 3.31Å; D78-T80 WeakPolarHBondContact OD1-CB 3.45Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.39Å; D78-T80 PolarHBondContact OD1-N 2.9Å; D78-T80 PolarHBondContact OD1-OG1 3.05Å; D78-T80 PolarHBondContact OD2-OG1 3.15Å; D78-T80 VanDerWaalsContact OD2-OG1 3.07Å; T80-V82 VanDerWaalsContact C-N 3.27Å; T80-V82 PolarHBondContact O-N 3.47Å |
| 81 | L | 56.3 | Low | 56.4 | Low | 87 Ų | 87 | 86.3 Ų | 86.3 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -85.2 | 17.2 | 175 | -53.1 | -179.8 | 0 | 0 | 0 | 113.8 | Y77 D78 W79 P83 | Y77-L81 PolarHBondContact OH-O 3.07Å; D78-L81 HydrophobicContact CB-CD1 4.01Å; D78-L81 HydrophobicContact CB-CG 4.03Å; D78-L81 WeakPolarHBondContact O-CB 3.31Å; D78-L81 PolarHBondContact O-N 3.2Å; W79-L81 PolarHBondContact O-N 3.5Å; L81-P83 WeakPolarHBondContact O-CD 3.39Å |
| 82 | V | 57.7 | Low | 55.2 | Low | 12 Ų | 12 | 90.1 Ų | 90.1 | 7% | 0.073 | 52% | 0.519 | C | S | . | . | S | Bend | trans | -78.7 | 97.3 | 153.4 | -177.4 | 0 | 0 | 0 | 0 | 107.1 | Y77 W79 T80 M84 M102 V107 L154 | Y77-V82 HydrophobicContact CE1-CG2 3.82Å; W79-V82 HydrophobicContact CE3-CG2 4.29Å; W79-V82 PolarHBondContact O-N 3.1Å; W79-V82 VanDerWaalsContact O-N 3.14Å; T80-V82 VanDerWaalsContact C-N 3.27Å; T80-V82 PolarHBondContact O-N 3.47Å; V82-M84 PolarHBondContact O-N 2.72Å; V82-M84 VanDerWaalsContact O-N 3.07Å; V82-M102 HydrophobicContact CG1-CE 3.65Å; V82-V107 HydrophobicContact CG1-CG1 4.43Å; V82-V107 HydrophobicContact CG2-CG1 4.41Å; V82-L154 HydrophobicContact CG1-CD1 4.5Å |
| 83 | P | 54.6 | Low | 54.4 | Low | 78 Ų | 78 | 95.9 Ų | 95.9 | 51% | 0.506 | 54% | 0.542 | S | S | . | . | trans | -76.8 | 113.9 | -171.4 | -8.3 | 28.7 | 0 | 0 | 0 | 107.2 | L81 | L81-P83 WeakPolarHBondContact O-CD 3.39Š| ||
| 84 | M | 52.8 | Low | 54.1 | Low | 72 Ų | 72 | 99.7 Ų | 99.7 | 36% | 0.355 | 57% | 0.57 | S | S | . | * | trans | -50.8 | 130 | 161.1 | -74.3 | -163 | 72 | 0 | 0 | 107.2 | V82 V86 L154 Q157 | V82-M84 PolarHBondContact O-N 2.72Å; V82-M84 VanDerWaalsContact O-N 3.07Å; M84-V86 PolarHBondContact O-N 2.69Å; M84-L154 HydrophobicContact CE-CD2 4.37Å; M84-L154 HydrophobicContact CG-CD2 3.92Å; M84-L154 HydrophobicContact SD-CD2 4.43Å; M84-Q157 HydrophobicContact CE-CB 4.45Å; M84-Q157 HydrophobicContact CE-CG 3.63Å; M84-Q157 HydrophobicContact SD-CG 4.33Å | ||
| 85 | P | 53.7 | Low | 54.3 | Low | 58 Ų | 58 | 106.4 Ų | 106.4 | 38% | 0.377 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -76.9 | 37.7 | -161.5 | 29 | -36.4 | 0 | 0 | 0 | 115.2 | R87 K99 | P85-R87 PolarHBondContact O-N 2.71Å; P85-K99 HydrophobicContact CB-CD 4.06Å |
| 86 | V | 47.5 | Very low | 55.2 | Low | 130 Ų | 130 | 107.2 Ų | 107.2 | 79% | 0.788 | 60% | 0.6 | S | S | * | * | trans | -67.4 | 75.2 | 163.4 | -171.2 | 0 | 0 | 0 | 0 | 108.5 | M84 V88 | M84-V86 PolarHBondContact O-N 2.69Å; V86-V88 PolarHBondContact O-N 2.87Å | ||
| 87 | R | 52.3 | Low | 56.7 | Low | 187 Ų | 187 | 112.5 Ų | 112.5 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | trans | -71.8 | 115.8 | 169.7 | -73.5 | -164.1 | -59.6 | -178.5 | 5.6 | 109.1 | P85 | P85-R87 PolarHBondContact O-N 2.71Š| ||
| 88 | V | 45 | Very low | 58.3 | Low | 135 Ų | 135 | 114.1 Ų | 114.1 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | trans | -48.7 | 146.2 | 155.2 | -73.2 | 0 | 0 | 0 | 0 | 110.4 | V86 G90 | V86-V88 PolarHBondContact O-N 2.87Å; V88-G90 PolarHBondContact O-N 3.34Å; V88-G90 VanDerWaalsContact O-N 3.12Å | ||
| 89 | N | 43.9 | Very low | 59.9 | Low | 170 Ų | 170 | 114.6 Ų | 114.6 | 91% | 0.909 | 62% | 0.619 | S | S | * | * | trans | -68 | 109.7 | -153.2 | -68.6 | 15.7 | 0 | 0 | 0 | 114.5 | ||||
| 90 | G | 48.9 | Very low | 61.7 | Low | 68 Ų | 68 | 116.1 Ų | 116.1 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | trans | -99.8 | 97 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | V88 | V88-G90 PolarHBondContact O-N 3.34Å; V88-G90 VanDerWaalsContact O-N 3.12Å | ||
| 91 | S | 51.5 | Low | 63.6 | Low | 103 Ų | 103 | 112.6 Ų | 112.6 | 72% | 0.72 | 60% | 0.604 | S | S | * | * | S | Bend | trans | 22.8 | 114.9 | 171.6 | 63.3 | 0 | 0 | 0 | 0 | 119.1 | ||
| 92 | N | 42.4 | Very low | 65.5 | Low | 147 Ų | 147 | 110.4 Ų | 110.4 | 79% | 0.786 | 59% | 0.592 | S | S | * | * | -176 | 150.7 | 123 | -96.2 | -50.1 | 0 | 0 | 0 | 111.7 | S94 | N92-S94 PolarHBondContact O-N 3.14Š| |||
| 93 | K | 52.2 | Low | 67.4 | Low | 226 Ų | 226 | 114.3 Ų | 114.3 | 98% | 0.983 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -82.5 | 41 | -171.1 | -60 | -180 | -178.7 | 177.6 | 0 | 113.9 | ||
| 94 | S | 59.1 | Low | 69.4 | Low | 93 Ų | 93 | 111.3 Ų | 111.3 | 65% | 0.65 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -131.5 | 160.2 | 179.2 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | N92 | N92-S94 PolarHBondContact O-N 3.14Š|
| 95 | K | 68.5 | Low | 71.5 | Confident | 194 Ų | 194 | 110.1 Ų | 110.1 | 84% | 0.843 | 59% | 0.587 | S | S | * | * | trans | -51.3 | 134.5 | -177.2 | -62.3 | -177.2 | 179.9 | -175.6 | 0 | 110.4 | H97 | K95-H97 PolarHBondContact O-N 3.26Å; K95-H97 VanDerWaalsContact O-N 3.09Å | ||
| 96 | P | 82.4 | Confident | 73.6 | Confident | 121 Ų | 121 | 111.9 Ų | 111.9 | 79% | 0.786 | 59% | 0.591 | S | S | * | * | trans | -58 | 117.4 | -172.6 | 22.3 | -33.3 | 0 | 0 | 0 | 110.9 | V98 | P96-V98 PolarHBondContact O-N 3.26Å; P96-V98 VanDerWaalsContact O-N 3.13Å | ||
| 97 | H | 88.1 | Confident | 75.9 | Confident | 162 Ų | 162 | 105.7 Ų | 105.7 | 75% | 0.75 | 55% | 0.554 | S | S | * | * | trans | -76.8 | 104.7 | -177.6 | 176.8 | 53 | 0 | 0 | 0 | 110.9 | K95 K99 | K95-H97 PolarHBondContact O-N 3.26Å; K95-H97 VanDerWaalsContact O-N 3.09Å; H97-K99 PolarHBondContact O-N 3.28Å; H97-K99 VanDerWaalsContact O-N 3.15Å | ||
| 98 | V | 92.4 | Very high | 78 | Confident | 44 Ų | 44 | 97 Ų | 97 | 27% | 0.267 | 52% | 0.521 | S | S | . | . | trans | -57.6 | 112.6 | 170.8 | 177.7 | 0 | 0 | 0 | 0 | 110 | P96 H158 H162 Y165 | P96-V98 PolarHBondContact O-N 3.26Å; P96-V98 VanDerWaalsContact O-N 3.13Å; V98-H158 WeakPolarHBondContact CG1-CE1 3.28Å; V98-H162 HydrophobicContact CG1-CB 4.48Å; V98-H162 WeakPolarHBondContact CG1-CD2 3.45Å; V98-Y165 HydrophobicContact CB-CD2 3.94Å; V98-Y165 HydrophobicContact CB-CE2 4.03Å; V98-Y165 HydrophobicContact CG1-CD2 3.42Å; V98-Y165 VanDerWaalsContact CG1-CD2 3.42Å; V98-Y165 HydrophobicContact CG1-CE2 3.64Å; V98-Y165 HydrophobicContact CG1-CG 4.33Å; V98-Y165 WeakPolarHBondContact O-CE2 3.46Å | ||
| 99 | K | 93.8 | Very high | 80.4 | Confident | 91 Ų | 91 | 90.5 Ų | 90.5 | 40% | 0.396 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 154.9 | 172.5 | -66.9 | -169.3 | -169.2 | 171.8 | 0 | 110.4 | P85 H97 H158 | P85-K99 HydrophobicContact CB-CD 4.06Å; H97-K99 PolarHBondContact O-N 3.28Å; H97-K99 VanDerWaalsContact O-N 3.15Å; K99-H158 PolarHBondContact O-CE1 3.42Å |
| 100 | R | 96.4 | Very high | 82.7 | Confident | 145 Ų | 145 | 85.3 Ų | 85.3 | 55% | 0.547 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 151.7 | 168.7 | -55.1 | 177.8 | -149.8 | -156 | 6.1 | 111.1 | Y165 Y167 | R100-Y165 WeakPolarHBondContact CG-OH 3.15Å; R100-Y167 VanDerWaalsContact CZ-CZ 3.44Å; R100-Y167 VanDerWaalsContact NH1-CZ 3.29Å; R100-Y167 PolarHBondContact NH1-OH 3.37Å; R100-Y167 VanDerWaalsContact NH2-CZ 3.33Å; R100-Y167 PolarHBondContact NH2-OH 2.98Å |
| 101 | P | 96 | Very high | 84.6 | Confident | 42 Ų | 42 | 82.1 Ų | 82.1 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 156.5 | 161.4 | 29.8 | -33.4 | 0 | 0 | 0 | 110.1 | H158 | P101-H158 HydrophobicContact CB-CB 4.01Å; P101-H158 HydrophobicContact CG-CB 4.17Å |
| 102 | M | 96.6 | Very high | 86.4 | Confident | 41 Ų | 41 | 77.4 Ų | 77.4 | 20% | 0.202 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -78.8 | 142.9 | 175.6 | -65.6 | -170 | -71.7 | 0 | 0 | 110.2 | V82 M106 V107 L154 | V82-M102 HydrophobicContact CG1-CE 3.65Å; M102-M106 HydrophobicContact CB-CB 3.99Å; M102-M106 HydrophobicContact CG-CB 4.3Å; M102-V107 HydrophobicContact CB-CG2 3.76Å; M102-V107 HydrophobicContact CE-CG2 4.49Å; M102-L154 HydrophobicContact CE-CD1 4.39Å |
| 103 | N | 97.9 | Very high | 88.9 | Confident | 94 Ų | 94 | 73 Ų | 73 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -88.8 | 169.6 | 168 | 70.7 | -3 | 0 | 0 | 0 | 110.3 | F105 M106 V107 | N103-F105 VanDerWaalsContact C-N 3.33Å; N103-F105 PolarHBondContact O-N 3.05Å; N103-M106 WeakPolarHBondContact O-CA 3.31Å; N103-M106 PolarHBondContact O-N 2.87Å; N103-M106 WeakPolarHBondContact OD1-CB 3.13Å; N103-M106 WeakPolarHBondContact OD1-CG 3.34Å; N103-M106 PolarHBondContact OD1-N 2.92Å; N103-V107 PolarHBondContact O-N 2.9Å |
| 104 | A | 96.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 67.1 Ų | 67.1 | 12% | 0.116 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -50.4 | -49 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M106 V107 W108 W136 F147 I148 A151 | A104-M106 VanDerWaalsContact C-N 3.34Å; A104-M106 PolarHBondContact O-N 2.79Å; A104-V107 PolarHBondContact O-N 2.77Å; A104-W108 PolarHBondContact O-N 3.27Å; A104-W136 HydrophobicContact CB-CH2 3.72Å; A104-W136 HydrophobicContact CB-CZ2 3.86Å; A104-F147 VanDerWaalsContact CA-O 3.31Å; A104-F147 WeakPolarHBondContact CA-O 3.4Å; A104-F147 HydrophobicContact CB-CB 4.18Å; A104-F147 WeakPolarHBondContact CB-O 3.48Å; A104-I148 HydrophobicContact CB-CB 4.43Å; A104-I148 HydrophobicContact CB-CG1 3.77Å; A104-A151 HydrophobicContact CB-CB 4.23Å; A104-A151 VanDerWaalsContact N-CB 3.25Å |
| 105 | F | 97.2 | Very high | 92.1 | Very high | 47 Ų | 47 | 65.2 Ų | 65.2 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.3 | -42 | 174.7 | 172.1 | -103.5 | 0 | 0 | 0 | 112.9 | N103 W108 A109 W136 | N103-F105 VanDerWaalsContact C-N 3.33Å; N103-F105 PolarHBondContact O-N 3.05Å; F105-W108 HydrophobicContact CD2-CE3 4.03Å; F105-W108 HydrophobicContact CD2-CZ3 4.16Å; F105-W108 HydrophobicContact CE2-CE3 4.14Å; F105-W108 AromaticContact CE2-CZ3 3.84Å; F105-W108 HydrophobicContact CE2-CZ3 3.84Å; F105-A109 HydrophobicContact CE1-CB 4.33Å; F105-A109 HydrophobicContact CE2-CB 4.2Å; F105-A109 HydrophobicContact CZ-CB 4.11Å; F105-A109 WeakPolarHBondContact O-CA 3.45Å; F105-A109 WeakPolarHBondContact O-CB 3.45Å; F105-A109 PolarHBondContact O-N 3.04Å; F105-W136 HydrophobicContact CB-CD2 4.2Å; F105-W136 HydrophobicContact CB-CG 4.49Å; F105-W136 HydrophobicContact CB-CZ2 4.47Å; F105-W136 HydrophobicContact CD2-CB 3.7Å; F105-W136 AromaticContact CD2-CD1 3.95Å; F105-W136 AromaticContact CD2-CD2 3.88Å; F105-W136 HydrophobicContact CD2-CD2 3.88Å; F105-W136 HydrophobicContact CD2-CE3 4.41Å; F105-W136 AromaticContact CD2-CG 3.53Å; F105-W136 HydrophobicContact CD2-CG 3.53Å; F105-W136 HydrophobicContact CE2-CB 3.93Å; F105-W136 HydrophobicContact CE2-CG 4.26Å; F105-W136 HydrophobicContact CG-CG 4.46Å |
| 106 | M | 97.6 | Very high | 92.9 | Very high | 95 Ų | 95 | 58.1 Ų | 58.1 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.2 | -34.8 | 179.7 | -71.3 | -71.1 | 179.8 | 0 | 0 | 112.6 | M102 N103 A104 Q110 | M102-M106 HydrophobicContact CB-CB 3.99Å; M102-M106 HydrophobicContact CG-CB 4.3Å; N103-M106 WeakPolarHBondContact O-CA 3.31Å; N103-M106 PolarHBondContact O-N 2.87Å; N103-M106 WeakPolarHBondContact OD1-CB 3.13Å; N103-M106 WeakPolarHBondContact OD1-CG 3.34Å; N103-M106 PolarHBondContact OD1-N 2.92Å; A104-M106 VanDerWaalsContact C-N 3.34Å; A104-M106 PolarHBondContact O-N 2.79Å; M106-Q110 WeakPolarHBondContact O-CB 3.12Å; M106-Q110 PolarHBondContact O-N 3.15Å; M106-Q110 VanDerWaalsContact O-N 3.1Å |
| 107 | V | 95.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63 | -55.2 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 109.7 | V82 M102 N103 A104 A109 Q110 F147 E150 A151 L154 | V82-V107 HydrophobicContact CG1-CG1 4.43Å; V82-V107 HydrophobicContact CG2-CG1 4.41Å; M102-V107 HydrophobicContact CB-CG2 3.76Å; M102-V107 HydrophobicContact CE-CG2 4.49Å; N103-V107 PolarHBondContact O-N 2.9Å; A104-V107 PolarHBondContact O-N 2.77Å; V107-A109 PolarHBondContact O-N 3.23Å; V107-Q110 WeakPolarHBondContact O-CB 3.32Å; V107-Q110 PolarHBondContact O-N 2.76Å; V107-F147 HydrophobicContact CG1-CD1 4.15Å; V107-E150 HydrophobicContact CG1-CG 3.92Å; V107-A151 HydrophobicContact CG2-CB 4.32Å; V107-L154 HydrophobicContact CG2-CD1 3.88Å |
| 108 | W | 95.4 | Very high | 93.3 | Very high | 3 Ų | 3 | 51.3 Ų | 51.3 | 1% | 0.011 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.3 | -49.4 | 177.3 | 170.9 | 85.5 | 0 | 0 | 0 | 112.6 | A104 F105 Q110 A111 A112 L132 L135 W136 F147 | A104-W108 PolarHBondContact O-N 3.27Å; F105-W108 HydrophobicContact CD2-CE3 4.03Å; F105-W108 HydrophobicContact CD2-CZ3 4.16Å; F105-W108 HydrophobicContact CE2-CE3 4.14Å; F105-W108 AromaticContact CE2-CZ3 3.84Å; F105-W108 HydrophobicContact CE2-CZ3 3.84Å; W108-Q110 PolarHBondContact O-N 3.41Å; W108-A111 PolarHBondContact O-N 3.41Å; W108-A111 VanDerWaalsContact O-N 3.15Å; W108-A112 HydrophobicContact CD2-CB 4.43Å; W108-A112 HydrophobicContact CH2-CB 4.32Å; W108-A112 HydrophobicContact CZ2-CB 3.99Å; W108-A112 PolarHBondContact O-N 3.1Å; W108-L132 HydrophobicContact CH2-CB 4.04Å; W108-L132 HydrophobicContact CH2-CD2 3.49Å; W108-L132 VanDerWaalsContact CH2-CD2 3.49Å; W108-L132 HydrophobicContact CH2-CG 4.39Å; W108-L132 WeakPolarHBondContact CH2-O 3.42Å; W108-L132 HydrophobicContact CZ2-CD2 4.25Å; W108-L132 HydrophobicContact CZ3-CB 3.82Å; W108-L132 HydrophobicContact CZ3-CD2 3.78Å; W108-L132 HydrophobicContact CZ3-CG 4.41Å; W108-L132 VanDerWaalsContact CZ3-O 3.29Å; W108-L132 WeakPolarHBondContact CZ3-O 3.18Å; W108-L135 HydrophobicContact CH2-CB 3.78Å; W108-L135 HydrophobicContact CZ2-CB 4.09Å; W108-W136 HydrophobicContact CB-CE3 3.85Å; W108-W136 HydrophobicContact CB-CZ3 3.51Å; W108-W136 AromaticContact CD2-CE3 3.59Å; W108-W136 HydrophobicContact CD2-CE3 3.59Å; W108-W136 HydrophobicContact CD2-CZ3 4.15Å; W108-W136 HydrophobicContact CE3-CB 4.16Å; W108-W136 HydrophobicContact CE3-CD2 4.36Å; W108-W136 AromaticContact CE3-CE3 3.65Å; W108-W136 HydrophobicContact CE3-CE3 3.65Å; W108-W136 HydrophobicContact CE3-CZ3 4.5Å; W108-W136 AromaticContact CG-CE3 3.66Å; W108-W136 HydrophobicContact CG-CE3 3.66Å; W108-W136 AromaticContact CG-CZ3 3.69Å; W108-W136 HydrophobicContact CG-CZ3 3.69Å; W108-W136 HydrophobicContact CH2-CB 4.25Å; W108-W136 HydrophobicContact CZ3-CB 3.83Å; W108-W136 HydrophobicContact CZ3-CE3 4.44Å; W108-F147 HydrophobicContact CB-CB 4.38Å; W108-F147 HydrophobicContact CB-CD1 3.53Å; W108-F147 HydrophobicContact CB-CD2 4.25Å; W108-F147 HydrophobicContact CB-CE1 3.76Å; W108-F147 HydrophobicContact CB-CE2 4.48Å; W108-F147 HydrophobicContact CB-CG 3.79Å; W108-F147 HydrophobicContact CB-CZ 4.26Å; W108-F147 AromaticContact CD1-CE1 3.85Å; W108-F147 AromaticContact CD1-CE2 3.68Å; W108-F147 AromaticContact CD1-CZ 3.51Å; W108-F147 HydrophobicContact CG-CD1 4.38Å; W108-F147 HydrophobicContact CG-CE1 4.21Å; W108-F147 HydrophobicContact CG-CE2 4.45Å; W108-F147 HydrophobicContact CG-CZ 4.28Å |
| 109 | A | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.3 | -16.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F105 V107 R113 L132 | F105-A109 HydrophobicContact CE1-CB 4.33Å; F105-A109 HydrophobicContact CE2-CB 4.2Å; F105-A109 HydrophobicContact CZ-CB 4.11Å; F105-A109 WeakPolarHBondContact O-CA 3.45Å; F105-A109 WeakPolarHBondContact O-CB 3.45Å; F105-A109 PolarHBondContact O-N 3.04Å; V107-A109 PolarHBondContact O-N 3.23Å; A109-R113 WeakPolarHBondContact O-CB 3.4Å; A109-R113 PolarHBondContact O-N 2.98Å; A109-R113 PolarHBondContact O-NH1 3.36Å; A109-L132 HydrophobicContact CB-CD1 4.36Å |
| 110 | Q | 93.1 | Very high | 92.6 | Very high | 61 Ų | 61 | 57.4 Ų | 57.4 | 29% | 0.285 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.3 | -46.9 | 171.8 | -171.3 | 176.2 | -95.1 | 0 | 0 | 110.8 | M106 V107 W108 R114 | M106-Q110 WeakPolarHBondContact O-CB 3.12Å; M106-Q110 PolarHBondContact O-N 3.15Å; M106-Q110 VanDerWaalsContact O-N 3.1Å; V107-Q110 WeakPolarHBondContact O-CB 3.32Å; V107-Q110 PolarHBondContact O-N 2.76Å; W108-Q110 PolarHBondContact O-N 3.41Å; Q110-R114 PolarHBondContact O-N 3.18Å |
| 111 | A | 88.4 | Confident | 92.2 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.8 | -52.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | V73 Y77 W108 R113 R114 K115 | V73-A111 HydrophobicContact CG1-CB 4.01Å; Y77-A111 HydrophobicContact CD1-CB 4.34Å; Y77-A111 HydrophobicContact CD2-CB 3.38Å; Y77-A111 HydrophobicContact CE1-CB 4.3Å; Y77-A111 HydrophobicContact CE2-CB 3.3Å; Y77-A111 HydrophobicContact CG-CB 3.92Å; W108-A111 PolarHBondContact O-N 3.41Å; W108-A111 VanDerWaalsContact O-N 3.15Å; A111-R113 PolarHBondContact O-N 3.12Å; A111-R114 PolarHBondContact O-N 2.86Å; A111-K115 PolarHBondContact O-N 2.71Å |
| 112 | A | 89.4 | Confident | 91.9 | Very high | 4 Ų | 4 | 61.1 Ų | 61.1 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.5 | -34 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113 | V73 W108 L116 L132 | V73-A112 HydrophobicContact CG1-CB 4.35Å; V73-A112 HydrophobicContact CG2-CB 3.86Å; W108-A112 HydrophobicContact CD2-CB 4.43Å; W108-A112 HydrophobicContact CH2-CB 4.32Å; W108-A112 HydrophobicContact CZ2-CB 3.99Å; W108-A112 PolarHBondContact O-N 3.1Å; A112-L116 WeakPolarHBondContact O-CG 3.38Å; A112-L116 PolarHBondContact O-N 2.9Å; A112-L116 VanDerWaalsContact O-N 3.1Å; A112-L132 HydrophobicContact CB-CD2 3.42Å; A112-L132 VanDerWaalsContact CB-CD2 3.42Å |
| 113 | R | 93.9 | Very high | 91.7 | Very high | 53 Ų | 53 | 62.1 Ų | 62.1 | 20% | 0.2 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -37.2 | 174.5 | -176.9 | -179.3 | -75.3 | 101.5 | -7.1 | 112.8 | A109 A111 L116 A117 N125 L128 S129 L132 | A109-R113 WeakPolarHBondContact O-CB 3.4Å; A109-R113 PolarHBondContact O-N 2.98Å; A109-R113 PolarHBondContact O-NH1 3.36Å; A111-R113 PolarHBondContact O-N 3.12Å; R113-L116 PolarHBondContact O-N 3.31Å; R113-A117 VanDerWaalsContact O-CB 3.27Å; R113-A117 WeakPolarHBondContact O-CB 3.32Å; R113-A117 PolarHBondContact O-N 3.24Å; R113-N125 WeakPolarHBondContact CD-OD1 3.35Å; R113-L128 HydrophobicContact CG-CD1 4.34Å; R113-S129 PolarHBondContact NH2-OG 3.25Å; R113-L132 HydrophobicContact CB-CD1 3.62Å; R113-L132 HydrophobicContact CG-CD1 4.2Å |
| 114 | R | 91.1 | Very high | 91.5 | Very high | 103 Ų | 103 | 64.1 Ų | 64.1 | 39% | 0.389 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.6 | -57.4 | 177.6 | -170.3 | 165.1 | 74 | -142.6 | 6 | 109.4 | Y77 Q110 A111 L116 A117 D118 | Y77-R114 VanDerWaalsContact CE2-NH2 3.32Å; Q110-R114 PolarHBondContact O-N 3.18Å; A111-R114 PolarHBondContact O-N 2.86Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 2.9Å; R114-A117 WeakPolarHBondContact O-CA 3.47Å; R114-A117 PolarHBondContact O-N 3.12Å; R114-D118 VanDerWaalsContact C-OD2 3.27Å; R114-D118 PolarHBondContact O-N 3.04Å |
| 115 | K | 87.8 | Confident | 91.2 | Very high | 54 Ų | 54 | 67.6 Ų | 67.6 | 24% | 0.235 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -55.5 | -37.4 | 178.6 | -70.6 | 178.3 | 172.5 | 177.1 | 0 | 113.9 | Q72 V73 G76 A111 Q119 | Q72-K115 PolarHBondContact O-NZ 3.22Å; V73-K115 HydrophobicContact CG2-CD 4.09Å; V73-K115 PolarHBondContact O-NZ 3.06Å; G76-K115 WeakPolarHBondContact O-CE 3.48Å; G76-K115 PolarHBondContact O-NZ 3.27Å; A111-K115 PolarHBondContact O-N 2.71Å; K115-Q119 WeakPolarHBondContact O-CG 2.92Å; K115-Q119 PolarHBondContact O-N 3.47Å |
| 116 | L | 86.5 | Confident | 91.1 | Very high | 44 Ų | 44 | 67.6 Ų | 67.6 | 23% | 0.23 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -75.3 | -32.5 | 174 | -68.2 | 176.7 | 0 | 0 | 0 | 113.9 | A112 R113 R114 Y120 L128 L132 | A112-L116 WeakPolarHBondContact O-CG 3.38Å; A112-L116 PolarHBondContact O-N 2.9Å; A112-L116 VanDerWaalsContact O-N 3.1Å; R113-L116 PolarHBondContact O-N 3.31Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 2.9Å; L116-Y120 HydrophobicContact CD2-CE2 4.43Å; L116-Y120 WeakPolarHBondContact O-CB 3.15Å; L116-Y120 WeakPolarHBondContact O-CD2 3.34Å; L116-Y120 PolarHBondContact O-N 2.99Å; L116-L128 HydrophobicContact CB-CD2 3.81Å; L116-L132 HydrophobicContact CD1-CD2 3.87Å; L116-L132 HydrophobicContact CD1-CG 4.14Å |
| 117 | A | 89.6 | Confident | 90.8 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.9 | -34.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R113 R114 Q119 Y120 P121 L128 | R113-A117 VanDerWaalsContact O-CB 3.27Å; R113-A117 WeakPolarHBondContact O-CB 3.32Å; R113-A117 PolarHBondContact O-N 3.24Å; R114-A117 WeakPolarHBondContact O-CA 3.47Å; R114-A117 PolarHBondContact O-N 3.12Å; A117-Q119 VanDerWaalsContact C-N 3.35Å; A117-Y120 CarbonylContact O-C 3.34Å; A117-P121 VanDerWaalsContact O-CA 3.25Å; A117-P121 WeakPolarHBondContact O-CA 3.35Å; A117-P121 VanDerWaalsContact O-N 3.12Å; A117-L128 HydrophobicContact CB-CD1 3.99Å |
| 118 | D | 87.7 | Confident | 90.5 | Very high | 111 Ų | 111 | 66.7 Ų | 66.7 | 59% | 0.594 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.8 | -39.5 | 176.3 | -55.5 | -33.7 | 0 | 0 | 0 | 111 | R114 | R114-D118 VanDerWaalsContact C-OD2 3.27Å; R114-D118 PolarHBondContact O-N 3.04Å |
| 119 | Q | 86 | Confident | 90.5 | Very high | 147 Ų | 147 | 68.6 Ų | 68.6 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -80 | -33.1 | 176.7 | -64.2 | -71 | 6.5 | 0 | 0 | 113.6 | K115 A117 P121 | K115-Q119 WeakPolarHBondContact O-CG 2.92Å; K115-Q119 PolarHBondContact O-N 3.47Å; A117-Q119 VanDerWaalsContact C-N 3.35Å; Q119-P121 VanDerWaalsContact C-CD 3.41Å; Q119-P121 WeakPolarHBondContact O-CD 3.41Å |
| 120 | Y | 86.5 | Confident | 90.5 | Very high | 116 Ų | 116 | 74.3 Ų | 74.3 | 46% | 0.455 | 37% | 0.371 | S | S | . | . | trans | -124.4 | 64.5 | -177.7 | -56.9 | -80.8 | 0 | 0 | 0 | 111.6 | L116 A117 H122 L123 | L116-Y120 HydrophobicContact CD2-CE2 4.43Å; L116-Y120 WeakPolarHBondContact O-CB 3.15Å; L116-Y120 WeakPolarHBondContact O-CD2 3.34Å; L116-Y120 PolarHBondContact O-N 2.99Å; A117-Y120 CarbonylContact O-C 3.34Å; Y120-H122 PolarHBondContact O-N 3.37Å; Y120-H122 VanDerWaalsContact O-N 3.11Å; Y120-L123 HydrophobicContact CG-CD2 4.46Å; Y120-L123 WeakPolarHBondContact O-CB 3.47Å; Y120-L123 PolarHBondContact O-N 3.04Å | ||
| 121 | P | 88.6 | Confident | 90.4 | Very high | 108 Ų | 108 | 74.4 Ų | 74.4 | 70% | 0.701 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.5 | -173.9 | 25.9 | -35.8 | 0 | 0 | 0 | 113.9 | A117 Q119 | A117-P121 VanDerWaalsContact O-CA 3.25Å; A117-P121 WeakPolarHBondContact O-CA 3.35Å; A117-P121 VanDerWaalsContact O-N 3.12Å; Q119-P121 VanDerWaalsContact C-CD 3.41Å; Q119-P121 WeakPolarHBondContact O-CD 3.41Å |
| 122 | H | 89.4 | Confident | 90.6 | Very high | 156 Ų | 156 | 74.3 Ų | 74.3 | 72% | 0.722 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | -12 | 173.5 | 56.1 | -94.7 | 0 | 0 | 0 | 113.4 | Y120 | Y120-H122 PolarHBondContact O-N 3.37Å; Y120-H122 VanDerWaalsContact O-N 3.11Å |
| 123 | L | 91.3 | Very high | 90.9 | Very high | 62 Ų | 62 | 75.2 Ų | 75.2 | 33% | 0.325 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -89.4 | 121.3 | -173.3 | -174.6 | 57.2 | 0 | 0 | 0 | 111.3 | Y120 E127 L128 | Y120-L123 HydrophobicContact CG-CD2 4.46Å; Y120-L123 WeakPolarHBondContact O-CB 3.47Å; Y120-L123 PolarHBondContact O-N 3.04Å; L123-E127 HydrophobicContact CD1-CB 3.68Å; L123-E127 HydrophobicContact CD1-CG 4.1Å; L123-E127 HydrophobicContact CG-CB 4.15Å; L123-L128 HydrophobicContact CB-CD2 4.42Å; L123-L128 HydrophobicContact CD2-CD2 3.7Å; L123-L128 HydrophobicContact CD2-CG 4.46Å; L123-L128 HydrophobicContact CG-CD2 4.04Å; L123-L128 HydrophobicContact CG-CG 4.32Å |
| 124 | H | 93.8 | Very high | 90.9 | Very high | 136 Ų | 136 | 79.5 Ų | 79.5 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | trans | -66.7 | 145.7 | -173.4 | -170.5 | 67 | 0 | 0 | 0 | 113 | A126 E127 L128 | H124-A126 PolarHBondContact CD2-N 3.4Å; H124-A126 PolarHBondContact O-N 2.97Å; H124-E127 PolarHBondContact O-N 3.07Å; H124-L128 PolarHBondContact O-N 2.98Å | ||
| 125 | N | 90.9 | Very high | 90.9 | Very high | 87 Ų | 87 | 76.1 Ų | 76.1 | 47% | 0.465 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -59 | -23.6 | -174 | -95.9 | -89.2 | 0 | 0 | 0 | 114.9 | R113 S129 | R113-N125 WeakPolarHBondContact CD-OD1 3.35Å; N125-S129 WeakPolarHBondContact O-CB 3.49Å; N125-S129 PolarHBondContact O-N 2.89Å; N125-S129 PolarHBondContact O-OG 3.25Å |
| 126 | A | 94.6 | Very high | 91.3 | Very high | 47 Ų | 47 | 75.6 Ų | 75.6 | 39% | 0.388 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66.1 | -44.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H124 S129 K130 | H124-A126 PolarHBondContact CD2-N 3.4Å; H124-A126 PolarHBondContact O-N 2.97Å; A126-S129 PolarHBondContact O-N 2.71Å; A126-K130 WeakPolarHBondContact O-CG 3.4Å; A126-K130 PolarHBondContact O-N 3.17Å |
| 127 | E | 91.8 | Very high | 91.6 | Very high | 75 Ų | 75 | 83.3 Ų | 83.3 | 35% | 0.35 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.4 | -43.8 | 179.6 | -54.7 | -46.4 | 119.8 | 0 | 0 | 111.2 | L123 H124 S129 K130 T131 | L123-E127 HydrophobicContact CD1-CB 3.68Å; L123-E127 HydrophobicContact CD1-CG 4.1Å; L123-E127 HydrophobicContact CG-CB 4.15Å; H124-E127 PolarHBondContact O-N 3.07Å; E127-S129 PolarHBondContact O-N 2.99Å; E127-K130 WeakPolarHBondContact O-CB 3.23Å; E127-K130 PolarHBondContact O-N 3.04Å; E127-K130 VanDerWaalsContact OE1-CE 3.31Å; E127-K130 WeakPolarHBondContact OE1-CE 3.16Å; E127-K130 IonicContact OE1-NZ 2.68Å; E127-K130 PolarHBondContact OE1-NZ 3.35Å; E127-K130 WeakPolarHBondContact OE2-CD 3.27Å; E127-K130 WeakPolarHBondContact OE2-CE 3.44Å; E127-K130 IonicContact OE2-NZ 2.76Å; E127-K130 PolarHBondContact OE2-NZ 3.29Å; E127-T131 PolarHBondContact O-N 3.24Å; E127-T131 PolarHBondContact O-OG1 3.06Å |
| 128 | L | 90.1 | Very high | 91.7 | Very high | 3 Ų | 3 | 85.4 Ų | 85.4 | 2% | 0.016 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -51.8 | -45.4 | 169.5 | -64.9 | -179.3 | 0 | 0 | 0 | 111 | R113 L116 A117 L123 H124 K130 T131 L132 | R113-L128 HydrophobicContact CG-CD1 4.34Å; L116-L128 HydrophobicContact CB-CD2 3.81Å; A117-L128 HydrophobicContact CB-CD1 3.99Å; L123-L128 HydrophobicContact CB-CD2 4.42Å; L123-L128 HydrophobicContact CD2-CD2 3.7Å; L123-L128 HydrophobicContact CD2-CG 4.46Å; L123-L128 HydrophobicContact CG-CD2 4.04Å; L123-L128 HydrophobicContact CG-CG 4.32Å; H124-L128 PolarHBondContact O-N 2.98Å; L128-K130 PolarHBondContact O-N 3.1Å; L128-T131 PolarHBondContact O-N 3.06Å; L128-L132 WeakPolarHBondContact O-CB 3.32Å; L128-L132 WeakPolarHBondContact O-CD1 2.9Å; L128-L132 WeakPolarHBondContact O-CG 3.3Å; L128-L132 PolarHBondContact O-N 3.35Å |
| 129 | S | 95.2 | Very high | 91.8 | Very high | 43 Ų | 43 | 80.4 Ų | 80.4 | 30% | 0.301 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.9 | -29 | -179.8 | -57.3 | 0 | 0 | 0 | 0 | 113.6 | R113 N125 A126 E127 G133 | R113-S129 PolarHBondContact NH2-OG 3.25Å; N125-S129 WeakPolarHBondContact O-CB 3.49Å; N125-S129 PolarHBondContact O-N 2.89Å; N125-S129 PolarHBondContact O-OG 3.25Å; A126-S129 PolarHBondContact O-N 2.71Å; E127-S129 PolarHBondContact O-N 2.99Å; S129-G133 PolarHBondContact O-N 3.49Å |
| 130 | K | 94.3 | Very high | 92.2 | Very high | 120 Ų | 120 | 74.4 Ų | 74.4 | 52% | 0.522 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.7 | -47.4 | 169.8 | -66.9 | 174.6 | -163.3 | 166.3 | 0 | 111.1 | A126 E127 L128 G133 K134 | A126-K130 WeakPolarHBondContact O-CG 3.4Å; A126-K130 PolarHBondContact O-N 3.17Å; E127-K130 WeakPolarHBondContact O-CB 3.23Å; E127-K130 PolarHBondContact O-N 3.04Å; E127-K130 VanDerWaalsContact OE1-CE 3.31Å; E127-K130 WeakPolarHBondContact OE1-CE 3.16Å; E127-K130 IonicContact OE1-NZ 2.68Å; E127-K130 PolarHBondContact OE1-NZ 3.35Å; E127-K130 WeakPolarHBondContact OE2-CD 3.27Å; E127-K130 WeakPolarHBondContact OE2-CE 3.44Å; E127-K130 IonicContact OE2-NZ 2.76Å; E127-K130 PolarHBondContact OE2-NZ 3.29Å; L128-K130 PolarHBondContact O-N 3.1Å; K130-G133 PolarHBondContact O-N 2.98Å; K130-K134 PolarHBondContact O-N 3.36Å; K130-K134 VanDerWaalsContact O-N 3.12Å |
| 131 | T | 90.9 | Very high | 92.5 | Very high | 62 Ų | 62 | 74.4 Ų | 74.4 | 38% | 0.38 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 179.6 | -62.1 | 0 | 0 | 0 | 0 | 111.3 | E127 L128 G133 K134 L135 | E127-T131 PolarHBondContact O-N 3.24Å; E127-T131 PolarHBondContact O-OG1 3.06Å; L128-T131 PolarHBondContact O-N 3.06Å; T131-G133 VanDerWaalsContact C-N 3.3Å; T131-G133 PolarHBondContact O-N 3.1Å; T131-K134 WeakPolarHBondContact O-CB 3.49Å; T131-K134 PolarHBondContact O-N 2.8Å; T131-L135 HydrophobicContact CG2-CD1 4.07Å; T131-L135 WeakPolarHBondContact O-CG 3.44Å; T131-L135 PolarHBondContact O-N 3.03Å |
| 132 | L | 94.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59 | -40.2 | 173.8 | -69.8 | 166.6 | 0 | 0 | 0 | 112.2 | W108 A109 A112 R113 L116 L128 K134 L135 W136 | W108-L132 HydrophobicContact CH2-CB 4.04Å; W108-L132 HydrophobicContact CH2-CD2 3.49Å; W108-L132 VanDerWaalsContact CH2-CD2 3.49Å; W108-L132 HydrophobicContact CH2-CG 4.39Å; W108-L132 WeakPolarHBondContact CH2-O 3.42Å; W108-L132 HydrophobicContact CZ2-CD2 4.25Å; W108-L132 HydrophobicContact CZ3-CB 3.82Å; W108-L132 HydrophobicContact CZ3-CD2 3.78Å; W108-L132 HydrophobicContact CZ3-CG 4.41Å; W108-L132 VanDerWaalsContact CZ3-O 3.29Å; W108-L132 WeakPolarHBondContact CZ3-O 3.18Å; A109-L132 HydrophobicContact CB-CD1 4.36Å; A112-L132 HydrophobicContact CB-CD2 3.42Å; A112-L132 VanDerWaalsContact CB-CD2 3.42Å; R113-L132 HydrophobicContact CB-CD1 3.62Å; R113-L132 HydrophobicContact CG-CD1 4.2Å; L116-L132 HydrophobicContact CD1-CD2 3.87Å; L116-L132 HydrophobicContact CD1-CG 4.14Å; L128-L132 WeakPolarHBondContact O-CB 3.32Å; L128-L132 WeakPolarHBondContact O-CD1 2.9Å; L128-L132 WeakPolarHBondContact O-CG 3.3Å; L128-L132 PolarHBondContact O-N 3.35Å; L132-K134 VanDerWaalsContact C-N 3.26Å; L132-K134 PolarHBondContact O-N 2.98Å; L132-L135 PolarHBondContact O-N 3.34Å; L132-W136 WeakPolarHBondContact O-CB 3.45Å; L132-W136 PolarHBondContact O-N 3.18Å |
| 133 | G | 95.6 | Very high | 92.7 | Very high | 22 Ų | 22 | 67.8 Ų | 67.8 | 23% | 0.227 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.6 | -21.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | S129 K130 T131 R137 | S129-G133 PolarHBondContact O-N 3.49Å; K130-G133 PolarHBondContact O-N 2.98Å; T131-G133 VanDerWaalsContact C-N 3.3Å; T131-G133 PolarHBondContact O-N 3.1Å; G133-R137 WeakPolarHBondContact O-CD 3Å; G133-R137 WeakPolarHBondContact O-CG 3.37Å |
| 134 | K | 92.8 | Very high | 92.8 | Very high | 143 Ų | 143 | 66 Ų | 66 | 62% | 0.622 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -79.7 | -53 | 168.6 | -66.3 | 176.5 | 179.7 | -178.6 | 0 | 110.6 | K130 T131 L132 W136 R137 L138 | K130-K134 PolarHBondContact O-N 3.36Å; K130-K134 VanDerWaalsContact O-N 3.12Å; T131-K134 WeakPolarHBondContact O-CB 3.49Å; T131-K134 PolarHBondContact O-N 2.8Å; L132-K134 VanDerWaalsContact C-N 3.26Å; L132-K134 PolarHBondContact O-N 2.98Å; K134-W136 VanDerWaalsContact C-N 3.34Å; K134-W136 PolarHBondContact O-N 3.42Å; K134-R137 WeakPolarHBondContact O-CB 3.46Å; K134-R137 PolarHBondContact O-N 3Å; K134-L138 PolarHBondContact O-N 2.84Å |
| 135 | L | 91.8 | Very high | 92.9 | Very high | 32 Ų | 32 | 67 Ų | 67 | 17% | 0.168 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.5 | -44.6 | -178 | -69.9 | 169.9 | 0 | 0 | 0 | 112.2 | I66 W108 T131 L132 R137 L138 L139 | I66-L135 HydrophobicContact CB-CD2 4.35Å; I66-L135 HydrophobicContact CD1-CD2 4.07Å; I66-L135 HydrophobicContact CG1-CD2 3.78Å; I66-L135 HydrophobicContact CG2-CD2 4Å; W108-L135 HydrophobicContact CH2-CB 3.78Å; W108-L135 HydrophobicContact CZ2-CB 4.09Å; T131-L135 HydrophobicContact CG2-CD1 4.07Å; T131-L135 WeakPolarHBondContact O-CG 3.44Å; T131-L135 PolarHBondContact O-N 3.03Å; L132-L135 PolarHBondContact O-N 3.34Å; L135-R137 PolarHBondContact O-N 3.09Å; L135-L138 CarbonylContact O-C 3.39Å; L135-L138 WeakPolarHBondContact O-CA 3.29Å; L135-L138 PolarHBondContact O-N 2.92Å; L135-L139 PolarHBondContact O-N 3.11Å |
| 136 | W | 94.9 | Very high | 93 | Very high | 43 Ų | 43 | 66 Ų | 66 | 16% | 0.163 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -59.4 | -28.5 | 177.2 | 178.6 | -95.2 | 0 | 0 | 0 | 114.4 | A104 F105 W108 L132 K134 L138 L139 K144 F147 | A104-W136 HydrophobicContact CB-CH2 3.72Å; A104-W136 HydrophobicContact CB-CZ2 3.86Å; F105-W136 HydrophobicContact CB-CD2 4.2Å; F105-W136 HydrophobicContact CB-CG 4.49Å; F105-W136 HydrophobicContact CB-CZ2 4.47Å; F105-W136 HydrophobicContact CD2-CB 3.7Å; F105-W136 AromaticContact CD2-CD1 3.95Å; F105-W136 AromaticContact CD2-CD2 3.88Å; F105-W136 HydrophobicContact CD2-CD2 3.88Å; F105-W136 HydrophobicContact CD2-CE3 4.41Å; F105-W136 AromaticContact CD2-CG 3.53Å; F105-W136 HydrophobicContact CD2-CG 3.53Å; F105-W136 HydrophobicContact CE2-CB 3.93Å; F105-W136 HydrophobicContact CE2-CG 4.26Å; F105-W136 HydrophobicContact CG-CG 4.46Å; W108-W136 HydrophobicContact CB-CE3 3.85Å; W108-W136 HydrophobicContact CB-CZ3 3.51Å; W108-W136 AromaticContact CD2-CE3 3.59Å; W108-W136 HydrophobicContact CD2-CE3 3.59Å; W108-W136 HydrophobicContact CD2-CZ3 4.15Å; W108-W136 HydrophobicContact CE3-CB 4.16Å; W108-W136 HydrophobicContact CE3-CD2 4.36Å; W108-W136 AromaticContact CE3-CE3 3.65Å; W108-W136 HydrophobicContact CE3-CE3 3.65Å; W108-W136 HydrophobicContact CE3-CZ3 4.5Å; W108-W136 AromaticContact CG-CE3 3.66Å; W108-W136 HydrophobicContact CG-CE3 3.66Å; W108-W136 AromaticContact CG-CZ3 3.69Å; W108-W136 HydrophobicContact CG-CZ3 3.69Å; W108-W136 HydrophobicContact CH2-CB 4.25Å; W108-W136 HydrophobicContact CZ3-CB 3.83Å; W108-W136 HydrophobicContact CZ3-CE3 4.44Å; L132-W136 WeakPolarHBondContact O-CB 3.45Å; L132-W136 PolarHBondContact O-N 3.18Å; K134-W136 VanDerWaalsContact C-N 3.34Å; K134-W136 PolarHBondContact O-N 3.42Å; W136-L138 VanDerWaalsContact C-N 3.3Å; W136-L139 HydrophobicContact CD2-CD1 4.09Å; W136-L139 HydrophobicContact CE3-CD1 3.39Å; W136-L139 HydrophobicContact CZ3-CD1 3.76Å; W136-K144 HydrophobicContact CE3-CG 4.49Å; W136-K144 HydrophobicContact CH2-CB 3.9Å; W136-K144 HydrophobicContact CH2-CD 4.17Å; W136-K144 HydrophobicContact CH2-CG 3.69Å; W136-K144 HydrophobicContact CZ2-CB 4.2Å; W136-K144 HydrophobicContact CZ2-CD 3.7Å; W136-K144 HydrophobicContact CZ2-CG 3.77Å; W136-K144 HydrophobicContact CZ3-CG 4.07Å; W136-K144 WeakPolarHBondContact O-CE 3.37Å; W136-F147 HydrophobicContact CH2-CB 4.06Å; W136-F147 HydrophobicContact CZ3-CB 4.23Å; W136-F147 HydrophobicContact CZ3-CD2 4.25Å; W136-F147 HydrophobicContact CZ3-CG 4.34Å |
| 137 | R | 94.3 | Very high | 93 | Very high | 207 Ų | 207 | 63.8 Ų | 63.8 | 78% | 0.781 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -80.9 | -13.3 | 176.1 | -63.7 | 174.3 | -179.7 | -177.7 | -0.6 | 113 | G133 K134 L135 | G133-R137 WeakPolarHBondContact O-CD 3Å; G133-R137 WeakPolarHBondContact O-CG 3.37Å; K134-R137 WeakPolarHBondContact O-CB 3.46Å; K134-R137 PolarHBondContact O-N 3Å; L135-R137 PolarHBondContact O-N 3.09Å |
| 138 | L | 91.9 | Very high | 93.1 | Very high | 73 Ų | 73 | 63.6 Ų | 63.6 | 38% | 0.382 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -110.5 | 17.2 | -179.9 | -60.5 | 170.7 | 0 | 0 | 0 | 111.1 | F62 I66 K134 L135 W136 | F62-L138 HydrophobicContact CD1-CB 4.42Å; F62-L138 WeakPolarHBondContact CD1-O 3.45Å; I66-L138 HydrophobicContact CD1-CB 3.77Å; I66-L138 HydrophobicContact CD1-CD1 3.47Å; I66-L138 VanDerWaalsContact CD1-CD1 3.47Å; I66-L138 HydrophobicContact CD1-CG 4.24Å; I66-L138 HydrophobicContact CG2-CB 4.38Å; K134-L138 PolarHBondContact O-N 2.84Å; L135-L138 CarbonylContact O-C 3.39Å; L135-L138 WeakPolarHBondContact O-CA 3.29Å; L135-L138 PolarHBondContact O-N 2.92Å; W136-L138 VanDerWaalsContact C-N 3.3Å |
| 139 | L | 89.2 | Confident | 93.4 | Very high | 7 Ų | 7 | 68.8 Ų | 68.8 | 4% | 0.037 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -87.2 | 148.8 | 166.5 | -75.1 | 177.6 | 0 | 0 | 0 | 110.3 | V70 L135 W136 D143 K144 | V70-L139 HydrophobicContact CB-CD2 4.05Å; V70-L139 HydrophobicContact CG1-CD2 3.57Å; V70-L139 HydrophobicContact CG2-CD2 3.38Å; L135-L139 PolarHBondContact O-N 3.11Å; W136-L139 HydrophobicContact CD2-CD1 4.09Å; W136-L139 HydrophobicContact CE3-CD1 3.39Å; W136-L139 HydrophobicContact CZ3-CD1 3.76Å; L139-D143 HydrophobicContact CB-CB 4.26Å; L139-D143 HydrophobicContact CD2-CB 3.86Å; L139-K144 HydrophobicContact CB-CG 3.9Å; L139-K144 HydrophobicContact CD1-CG 4.04Å; L139-K144 WeakPolarHBondContact O-CE 3.31Å; L139-K144 PolarHBondContact O-NZ 2.88Å |
| 140 | N | 93.9 | Very high | 93.4 | Very high | 21 Ų | 21 | 68.8 Ų | 68.8 | 11% | 0.112 | 33% | 0.33 | C | S | . | . | trans | -72.3 | 163.1 | 166.4 | -85.8 | -34.8 | 0 | 0 | 0 | 111.9 | F62 S142 D143 K144 | F62-N140 WeakPolarHBondContact CE2-OD1 3.42Å; F62-N140 VanDerWaalsContact CZ-OD1 3.3Å; F62-N140 WeakPolarHBondContact CZ-OD1 3.41Å; N140-S142 VanDerWaalsContact C-N 3.29Å; N140-S142 VanDerWaalsContact CB-OG 3.27Å; N140-S142 WeakPolarHBondContact CB-OG 3.33Å; N140-D143 WeakPolarHBondContact CB-OD2 3.41Å; N140-D143 PolarHBondContact N-OD2 2.96Å; N140-D143 PolarHBondContact O-N 3.39Å; N140-K144 WeakPolarHBondContact O-CG 3.26Å; N140-K144 PolarHBondContact O-N 2.71Å; N140-K144 VanDerWaalsContact O-N 3.09Å; N140-K144 PolarHBondContact O-NZ 3.46Å | ||
| 141 | E | 92.6 | Very high | 93.4 | Very high | 116 Ų | 116 | 63.5 Ų | 63.5 | 54% | 0.542 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -73.3 | -26.6 | 177.8 | -152.2 | 59.9 | -154.7 | 0 | 0 | 111.6 | K144 R145 I148 | E141-K144 PolarHBondContact O-N 3.24Å; E141-K144 WeakPolarHBondContact OE2-CD 3.14Å; E141-K144 WeakPolarHBondContact OE2-CE 3.49Å; E141-K144 IonicContact OE2-NZ 3.24Å; E141-K144 PolarHBondContact OE2-NZ 3.04Å; E141-R145 WeakPolarHBondContact O-CB 3.34Å; E141-R145 PolarHBondContact O-N 3.47Å; E141-I148 VanDerWaalsContact OE1-CD1 3.25Å; E141-I148 WeakPolarHBondContact OE1-CD1 3.13Å |
| 142 | S | 92.1 | Very high | 93.8 | Very high | 77 Ų | 77 | 64.2 Ų | 64.2 | 54% | 0.538 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.7 | -52 | 163.7 | 47.1 | 0 | 0 | 0 | 0 | 111.9 | N140 K144 R145 P146 | N140-S142 VanDerWaalsContact C-N 3.29Å; N140-S142 VanDerWaalsContact CB-OG 3.27Å; N140-S142 WeakPolarHBondContact CB-OG 3.33Å; S142-K144 VanDerWaalsContact C-N 3.34Å; S142-K144 PolarHBondContact O-N 2.71Å; S142-R145 WeakPolarHBondContact O-CB 3.45Å; S142-R145 PolarHBondContact O-N 3.3Å; S142-P146 WeakPolarHBondContact O-CD 3.45Å |
| 143 | D | 90.8 | Very high | 93.9 | Very high | 47 Ų | 47 | 69.6 Ų | 69.6 | 25% | 0.251 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.2 | -36.8 | 179.8 | -55.4 | -37.5 | 0 | 0 | 0 | 112.5 | L139 N140 R145 P146 F147 | L139-D143 HydrophobicContact CB-CB 4.26Å; L139-D143 HydrophobicContact CD2-CB 3.86Å; N140-D143 WeakPolarHBondContact CB-OD2 3.41Å; N140-D143 PolarHBondContact N-OD2 2.96Å; N140-D143 PolarHBondContact O-N 3.39Å; D143-R145 VanDerWaalsContact C-N 3.33Å; D143-P146 WeakPolarHBondContact O-CD 3.49Å; D143-F147 WeakPolarHBondContact O-CD2 3.44Å; D143-F147 VanDerWaalsContact O-CE2 3.23Å; D143-F147 WeakPolarHBondContact O-CE2 3.38Å |
| 144 | K | 93.1 | Very high | 93.9 | Very high | 24 Ų | 24 | 69 Ų | 69 | 10% | 0.104 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.5 | -30.5 | 177.2 | -68.7 | -176.2 | -136.5 | 71.1 | 0 | 111.9 | W136 L139 N140 E141 S142 F147 I148 | W136-K144 HydrophobicContact CE3-CG 4.49Å; W136-K144 HydrophobicContact CH2-CB 3.9Å; W136-K144 HydrophobicContact CH2-CD 4.17Å; W136-K144 HydrophobicContact CH2-CG 3.69Å; W136-K144 HydrophobicContact CZ2-CB 4.2Å; W136-K144 HydrophobicContact CZ2-CD 3.7Å; W136-K144 HydrophobicContact CZ2-CG 3.77Å; W136-K144 HydrophobicContact CZ3-CG 4.07Å; W136-K144 WeakPolarHBondContact O-CE 3.37Å; L139-K144 HydrophobicContact CB-CG 3.9Å; L139-K144 HydrophobicContact CD1-CG 4.04Å; L139-K144 WeakPolarHBondContact O-CE 3.31Å; L139-K144 PolarHBondContact O-NZ 2.88Å; N140-K144 WeakPolarHBondContact O-CG 3.26Å; N140-K144 PolarHBondContact O-N 2.71Å; N140-K144 VanDerWaalsContact O-N 3.09Å; N140-K144 PolarHBondContact O-NZ 3.46Å; E141-K144 PolarHBondContact O-N 3.24Å; E141-K144 WeakPolarHBondContact OE2-CD 3.14Å; E141-K144 WeakPolarHBondContact OE2-CE 3.49Å; E141-K144 IonicContact OE2-NZ 3.24Å; E141-K144 PolarHBondContact OE2-NZ 3.04Å; S142-K144 VanDerWaalsContact C-N 3.34Å; S142-K144 PolarHBondContact O-N 2.71Å; K144-F147 WeakPolarHBondContact O-CA 3.46Å; K144-F147 WeakPolarHBondContact O-CB 3.25Å; K144-F147 PolarHBondContact O-N 2.93Å; K144-I148 HydrophobicContact CB-CD1 3.83Å; K144-I148 HydrophobicContact CB-CG1 4.41Å; K144-I148 WeakPolarHBondContact O-CG1 3.37Å; K144-I148 PolarHBondContact O-N 3.03Å |
| 145 | R | 95.4 | Very high | 94.1 | Very high | 159 Ų | 159 | 70.2 Ų | 70.2 | 60% | 0.6 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -46.6 | -55.5 | -174 | -156.4 | -169.4 | -163.6 | 112.6 | 1.7 | 114.8 | E141 S142 D143 F147 I148 E149 | E141-R145 WeakPolarHBondContact O-CB 3.34Å; E141-R145 PolarHBondContact O-N 3.47Å; S142-R145 WeakPolarHBondContact O-CB 3.45Å; S142-R145 PolarHBondContact O-N 3.3Å; D143-R145 VanDerWaalsContact C-N 3.33Å; R145-F147 PolarHBondContact O-N 2.89Å; R145-I148 WeakPolarHBondContact O-CB 3.17Å; R145-I148 PolarHBondContact O-N 2.95Å; R145-E149 WeakPolarHBondContact CD-OE1 3.43Å; R145-E149 WeakPolarHBondContact CG-OE1 3.43Å; R145-E149 IonicContact NE-OE1 3.25Å; R145-E149 PolarHBondContact NE-OE1 3Å; R145-E149 WeakPolarHBondContact O-CG 3.17Å; R145-E149 PolarHBondContact O-N 3.22Å |
| 146 | P | 93.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 74.3 Ų | 74.3 | 42% | 0.416 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61 | -31.4 | 179.6 | 23.8 | -35.4 | 0 | 0 | 0 | 113.1 | S142 D143 E150 | S142-P146 WeakPolarHBondContact O-CD 3.45Å; D143-P146 WeakPolarHBondContact O-CD 3.49Å; P146-E150 VanDerWaalsContact O-CB 3.26Å; P146-E150 WeakPolarHBondContact O-CB 3.26Å; P146-E150 PolarHBondContact O-N 3.22Å |
| 147 | F | 93.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.009 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -77.3 | -29.4 | 176.2 | -53.9 | -80.6 | 0 | 0 | 0 | 112.7 | L74 W79 A104 V107 W108 W136 D143 K144 R145 A151 | L74-F147 HydrophobicContact CD2-CE2 3.98Å; L74-F147 HydrophobicContact CD2-CZ 3.62Å; W79-F147 AromaticContact CH2-CE1 3.47Å; W79-F147 HydrophobicContact CH2-CE1 3.47Å; W79-F147 VanDerWaalsContact CH2-CE1 3.47Å; W79-F147 AromaticContact CH2-CZ 3.72Å; W79-F147 HydrophobicContact CH2-CZ 3.72Å; W79-F147 HydrophobicContact CZ3-CD1 4.32Å; W79-F147 AromaticContact CZ3-CE1 3.58Å; W79-F147 HydrophobicContact CZ3-CE1 3.58Å; W79-F147 HydrophobicContact CZ3-CZ 4.29Å; A104-F147 VanDerWaalsContact CA-O 3.31Å; A104-F147 WeakPolarHBondContact CA-O 3.4Å; A104-F147 HydrophobicContact CB-CB 4.18Å; A104-F147 WeakPolarHBondContact CB-O 3.48Å; V107-F147 HydrophobicContact CG1-CD1 4.15Å; W108-F147 HydrophobicContact CB-CB 4.38Å; W108-F147 HydrophobicContact CB-CD1 3.53Å; W108-F147 HydrophobicContact CB-CD2 4.25Å; W108-F147 HydrophobicContact CB-CE1 3.76Å; W108-F147 HydrophobicContact CB-CE2 4.48Å; W108-F147 HydrophobicContact CB-CG 3.79Å; W108-F147 HydrophobicContact CB-CZ 4.26Å; W108-F147 AromaticContact CD1-CE1 3.85Å; W108-F147 AromaticContact CD1-CE2 3.68Å; W108-F147 AromaticContact CD1-CZ 3.51Å; W108-F147 HydrophobicContact CG-CD1 4.38Å; W108-F147 HydrophobicContact CG-CE1 4.21Å; W108-F147 HydrophobicContact CG-CE2 4.45Å; W108-F147 HydrophobicContact CG-CZ 4.28Å; W136-F147 HydrophobicContact CH2-CB 4.06Å; W136-F147 HydrophobicContact CZ3-CB 4.23Å; W136-F147 HydrophobicContact CZ3-CD2 4.25Å; W136-F147 HydrophobicContact CZ3-CG 4.34Å; D143-F147 WeakPolarHBondContact O-CD2 3.44Å; D143-F147 VanDerWaalsContact O-CE2 3.23Å; D143-F147 WeakPolarHBondContact O-CE2 3.38Å; K144-F147 WeakPolarHBondContact O-CA 3.46Å; K144-F147 WeakPolarHBondContact O-CB 3.25Å; K144-F147 PolarHBondContact O-N 2.93Å; R145-F147 PolarHBondContact O-N 2.89Å; F147-A151 WeakPolarHBondContact O-CB 3.38Å; F147-A151 PolarHBondContact O-N 3.43Å |
| 148 | I | 95.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 66.2 Ų | 66.2 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -68.9 | -48.5 | 172.2 | -66.5 | 165.7 | 0 | 0 | 0 | 109.4 | A104 E141 K144 R145 A151 E152 | A104-I148 HydrophobicContact CB-CB 4.43Å; A104-I148 HydrophobicContact CB-CG1 3.77Å; E141-I148 VanDerWaalsContact OE1-CD1 3.25Å; E141-I148 WeakPolarHBondContact OE1-CD1 3.13Å; K144-I148 HydrophobicContact CB-CD1 3.83Å; K144-I148 HydrophobicContact CB-CG1 4.41Å; K144-I148 WeakPolarHBondContact O-CG1 3.37Å; K144-I148 PolarHBondContact O-N 3.03Å; R145-I148 WeakPolarHBondContact O-CB 3.17Å; R145-I148 PolarHBondContact O-N 2.95Å; I148-A151 PolarHBondContact O-N 3.09Å; I148-E152 WeakPolarHBondContact O-CB 3.26Å; I148-E152 PolarHBondContact O-N 3.22Å |
| 149 | E | 96.3 | Very high | 94.7 | Very high | 111 Ų | 111 | 70.5 Ų | 70.5 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 177.8 | -69.5 | 170.3 | -175.6 | 0 | 0 | 111.7 | R145 A151 E152 R153 | R145-E149 WeakPolarHBondContact CD-OE1 3.43Å; R145-E149 WeakPolarHBondContact CG-OE1 3.43Å; R145-E149 IonicContact NE-OE1 3.25Å; R145-E149 PolarHBondContact NE-OE1 3Å; R145-E149 WeakPolarHBondContact O-CG 3.17Å; R145-E149 PolarHBondContact O-N 3.22Å; E149-A151 PolarHBondContact O-N 2.76Å; E149-E152 WeakPolarHBondContact O-CB 3.46Å; E149-E152 PolarHBondContact O-N 2.87Å; E149-R153 WeakPolarHBondContact O-CB 3.26Å; E149-R153 PolarHBondContact O-N 2.68Å |
| 150 | E | 93.6 | Very high | 95.1 | Very high | 43 Ų | 43 | 77.9 Ų | 77.9 | 20% | 0.201 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 175.1 | 174.7 | 55.7 | -162.6 | 0 | 0 | 112.7 | V107 P146 R153 L154 | V107-E150 HydrophobicContact CG1-CG 3.92Å; P146-E150 VanDerWaalsContact O-CB 3.26Å; P146-E150 WeakPolarHBondContact O-CB 3.26Å; P146-E150 PolarHBondContact O-N 3.22Å; E150-R153 PolarHBondContact O-N 2.95Å; E150-R153 IonicContact OE1-CZ 2.76Å; E150-R153 IonicContact OE1-NE 3.6Å; E150-R153 IonicContact OE1-NH2 3.68Å; E150-R153 PolarHBondContact OE1-NH2 3.13Å; E150-R153 IonicContact OE2-CZ 2.9Å; E150-R153 IonicContact OE2-NE 3.39Å; E150-R153 PolarHBondContact OE2-NE 2.72Å; E150-R153 IonicContact OE2-NH2 2.71Å; E150-R153 PolarHBondContact OE2-NH2 3.15Å; E150-L154 HydrophobicContact CG-CD1 4.19Å; E150-L154 WeakPolarHBondContact O-CB 3.13Å; E150-L154 VanDerWaalsContact O-CG 3.25Å; E150-L154 WeakPolarHBondContact O-CG 3.31Å; E150-L154 PolarHBondContact O-N 3.44Å; E150-L154 WeakPolarHBondContact OE1-CG 3.4Å |
| 151 | A | 95.7 | Very high | 95.1 | Very high | 10 Ų | 10 | 80.5 Ų | 80.5 | 8% | 0.083 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.4 | -31.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | A104 V107 F147 I148 E149 R155 | A104-A151 HydrophobicContact CB-CB 4.23Å; A104-A151 VanDerWaalsContact N-CB 3.25Å; V107-A151 HydrophobicContact CG2-CB 4.32Å; F147-A151 WeakPolarHBondContact O-CB 3.38Å; F147-A151 PolarHBondContact O-N 3.43Å; I148-A151 PolarHBondContact O-N 3.09Å; E149-A151 PolarHBondContact O-N 2.76Å; A151-R155 VanDerWaalsContact O-CB 3.28Å; A151-R155 WeakPolarHBondContact O-CB 3.45Å; A151-R155 PolarHBondContact O-N 2.82Å |
| 152 | E | 97.7 | Very high | 95.2 | Very high | 77 Ų | 77 | 78.6 Ų | 78.6 | 36% | 0.36 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66 | -50.9 | 171.2 | -152.1 | -57.5 | 128.2 | 0 | 0 | 109.6 | I148 E149 L154 R155 M156 | I148-E152 WeakPolarHBondContact O-CB 3.26Å; I148-E152 PolarHBondContact O-N 3.22Å; E149-E152 WeakPolarHBondContact O-CB 3.46Å; E149-E152 PolarHBondContact O-N 2.87Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 3.09Å; E152-R155 CarbonylContact O-C 3.54Å; E152-R155 WeakPolarHBondContact O-CA 3.45Å; E152-R155 VanDerWaalsContact O-CB 3.31Å; E152-R155 WeakPolarHBondContact O-CB 3.47Å; E152-R155 PolarHBondContact O-N 3.42Å; E152-M156 PolarHBondContact O-N 2.71Å; E152-M156 WeakPolarHBondContact OE1-CG 3.39Å; E152-M156 WeakPolarHBondContact OE2-CE 3.27Å; E152-M156 WeakPolarHBondContact OE2-CG 3.41Å |
| 153 | R | 97.6 | Very high | 95.3 | Very high | 113 Ų | 113 | 79.6 Ų | 79.6 | 43% | 0.426 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -54.5 | -47.3 | 174.8 | -167.3 | -166.1 | 69.9 | 82.2 | 1.4 | 112 | E149 E150 R155 M156 Q157 | E149-R153 WeakPolarHBondContact O-CB 3.26Å; E149-R153 PolarHBondContact O-N 2.68Å; E150-R153 PolarHBondContact O-N 2.95Å; E150-R153 IonicContact OE1-CZ 2.76Å; E150-R153 IonicContact OE1-NE 3.6Å; E150-R153 IonicContact OE1-NH2 3.68Å; E150-R153 PolarHBondContact OE1-NH2 3.13Å; E150-R153 IonicContact OE2-CZ 2.9Å; E150-R153 IonicContact OE2-NE 3.39Å; E150-R153 PolarHBondContact OE2-NE 2.72Å; E150-R153 IonicContact OE2-NH2 2.71Å; E150-R153 PolarHBondContact OE2-NH2 3.15Å; R153-R155 VanDerWaalsContact C-N 3.31Å; R153-R155 PolarHBondContact O-N 2.92Å; R153-M156 PolarHBondContact O-N 2.66Å; R153-Q157 VanDerWaalsContact O-CB 3.26Å; R153-Q157 WeakPolarHBondContact O-CB 3.47Å; R153-Q157 PolarHBondContact O-N 2.81Å |
| 154 | L | 95.2 | Very high | 95.5 | Very high | 8 Ų | 8 | 84.9 Ų | 84.9 | 4% | 0.042 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.8 | -34.8 | 175.5 | -74.6 | 170.7 | 0 | 0 | 0 | 112.5 | V82 M84 M102 V107 E150 E152 H158 | V82-L154 HydrophobicContact CG1-CD1 4.5Å; M84-L154 HydrophobicContact CE-CD2 4.37Å; M84-L154 HydrophobicContact CG-CD2 3.92Å; M84-L154 HydrophobicContact SD-CD2 4.43Å; M102-L154 HydrophobicContact CE-CD1 4.39Å; V107-L154 HydrophobicContact CG2-CD1 3.88Å; E150-L154 HydrophobicContact CG-CD1 4.19Å; E150-L154 WeakPolarHBondContact O-CB 3.13Å; E150-L154 VanDerWaalsContact O-CG 3.25Å; E150-L154 WeakPolarHBondContact O-CG 3.31Å; E150-L154 PolarHBondContact O-N 3.44Å; E150-L154 WeakPolarHBondContact OE1-CG 3.4Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 3.09Å; L154-H158 WeakPolarHBondContact O-CB 3.46Å; L154-H158 PolarHBondContact O-N 3.36Å |
| 155 | R | 96.8 | Very high | 95.6 | Very high | 170 Ų | 170 | 87 Ų | 87 | 64% | 0.642 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -70.6 | -43.9 | 175.4 | 179 | -168 | -178.7 | -159.9 | 2.5 | 111.9 | A151 E152 R153 K159 | A151-R155 VanDerWaalsContact O-CB 3.28Å; A151-R155 WeakPolarHBondContact O-CB 3.45Å; A151-R155 PolarHBondContact O-N 2.82Å; E152-R155 CarbonylContact O-C 3.54Å; E152-R155 WeakPolarHBondContact O-CA 3.45Å; E152-R155 VanDerWaalsContact O-CB 3.31Å; E152-R155 WeakPolarHBondContact O-CB 3.47Å; E152-R155 PolarHBondContact O-N 3.42Å; R153-R155 VanDerWaalsContact C-N 3.31Å; R153-R155 PolarHBondContact O-N 2.92Å; R155-K159 WeakPolarHBondContact O-CB 3.38Å; R155-K159 PolarHBondContact O-N 3.46Å |
| 156 | M | 97.3 | Very high | 95.6 | Very high | 117 Ų | 117 | 87.3 Ų | 87.3 | 58% | 0.576 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62.5 | -49.5 | 174.6 | -80.6 | -146.6 | -79.3 | 0 | 0 | 111.5 | E152 R153 H158 K159 K160 | E152-M156 PolarHBondContact O-N 2.71Å; E152-M156 WeakPolarHBondContact OE1-CG 3.39Å; E152-M156 WeakPolarHBondContact OE2-CE 3.27Å; E152-M156 WeakPolarHBondContact OE2-CG 3.41Å; R153-M156 PolarHBondContact O-N 2.66Å; M156-H158 VanDerWaalsContact C-N 3.33Å; M156-H158 PolarHBondContact O-N 2.98Å; M156-K159 PolarHBondContact O-N 3.37Å; M156-K159 VanDerWaalsContact O-N 3.15Å; M156-K160 PolarHBondContact O-N 2.88Å |
| 157 | Q | 95.6 | Very high | 95.7 | Very high | 58 Ų | 58 | 89.6 Ų | 89.6 | 27% | 0.271 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 177.6 | -175.2 | 60.1 | 38.3 | 0 | 0 | 110.9 | M84 R153 K159 K160 D161 | M84-Q157 HydrophobicContact CE-CB 4.45Å; M84-Q157 HydrophobicContact CE-CG 3.63Å; M84-Q157 HydrophobicContact SD-CG 4.33Å; R153-Q157 VanDerWaalsContact O-CB 3.26Å; R153-Q157 WeakPolarHBondContact O-CB 3.47Å; R153-Q157 PolarHBondContact O-N 2.81Å; Q157-K159 VanDerWaalsContact C-N 3.34Å; Q157-K159 PolarHBondContact O-N 2.87Å; Q157-K160 WeakPolarHBondContact O-CB 3.37Å; Q157-K160 PolarHBondContact O-N 3.25Å; Q157-K160 VanDerWaalsContact O-N 3.1Å; Q157-D161 WeakPolarHBondContact CG-OD2 3.17Å; Q157-D161 PolarHBondContact NE2-OD1 2.9Å; Q157-D161 PolarHBondContact NE2-OD2 3.1Å; Q157-D161 VanDerWaalsContact O-CG 3.27Å; Q157-D161 PolarHBondContact O-N 3.38Å |
| 158 | H | 96.6 | Very high | 95.6 | Very high | 23 Ų | 23 | 97.1 Ų | 97.1 | 11% | 0.106 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.8 | -38.7 | 176.1 | -171.7 | 86.3 | 0 | 0 | 0 | 113.7 | V98 K99 P101 L154 M156 K160 H162 Y165 | V98-H158 WeakPolarHBondContact CG1-CE1 3.28Å; K99-H158 PolarHBondContact O-CE1 3.42Å; P101-H158 HydrophobicContact CB-CB 4.01Å; P101-H158 HydrophobicContact CG-CB 4.17Å; L154-H158 WeakPolarHBondContact O-CB 3.46Å; L154-H158 PolarHBondContact O-N 3.36Å; M156-H158 VanDerWaalsContact C-N 3.33Å; M156-H158 PolarHBondContact O-N 2.98Å; H158-K160 VanDerWaalsContact C-N 3.32Å; H158-H162 AromaticContact CE1-CD2 3.58Å; H158-H162 AromaticContact ND1-CD2 3.81Å; H158-H162 PolarHBondContact O-N 2.83Å; H158-Y165 AromaticContact NE2-CD1 3.47Å; H158-Y165 WeakPolarHBondContact NE2-CD1 3.25Å; H158-Y165 AromaticContact NE2-CD2 3.77Å; H158-Y165 AromaticContact NE2-CE1 3.8Å; H158-Y165 AromaticContact NE2-CG 3.45Å |
| 159 | K | 96.6 | Very high | 95.4 | Very high | 162 Ų | 162 | 97.9 Ų | 97.9 | 70% | 0.704 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -67.7 | -32.2 | 175.4 | -174.4 | -172.9 | 173.7 | -167.1 | 0 | 112 | R155 M156 Q157 P163 | R155-K159 WeakPolarHBondContact O-CB 3.38Å; R155-K159 PolarHBondContact O-N 3.46Å; M156-K159 PolarHBondContact O-N 3.37Å; M156-K159 VanDerWaalsContact O-N 3.15Å; Q157-K159 VanDerWaalsContact C-N 3.34Å; Q157-K159 PolarHBondContact O-N 2.87Å; K159-P163 WeakPolarHBondContact O-CA 3.46Å |
| 160 | K | 96.7 | Very high | 95.1 | Very high | 162 Ų | 162 | 103.3 Ų | 103.3 | 70% | 0.704 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -73 | -45 | 176 | -177.8 | -176.7 | 176.4 | -176.1 | 0 | 111.9 | M156 Q157 H158 | M156-K160 PolarHBondContact O-N 2.88Å; Q157-K160 WeakPolarHBondContact O-CB 3.37Å; Q157-K160 PolarHBondContact O-N 3.25Å; Q157-K160 VanDerWaalsContact O-N 3.1Å; H158-K160 VanDerWaalsContact C-N 3.32Å |
| 161 | D | 94.3 | Very high | 94.9 | Very high | 76 Ų | 76 | 112.2 Ų | 112.2 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -75.2 | -27.2 | -178 | -61.7 | -25.8 | 0 | 0 | 0 | 112.6 | Q157 | Q157-D161 WeakPolarHBondContact CG-OD2 3.17Å; Q157-D161 PolarHBondContact NE2-OD1 2.9Å; Q157-D161 PolarHBondContact NE2-OD2 3.1Å; Q157-D161 VanDerWaalsContact O-CG 3.27Å; Q157-D161 PolarHBondContact O-N 3.38Å |
| 162 | H | 94.4 | Very high | 94.4 | Very high | 76 Ų | 76 | 122.1 Ų | 122.1 | 35% | 0.352 | 54% | 0.541 | S | S | . | . | trans | -135.6 | 71.8 | -178.3 | -53 | -40.9 | 0 | 0 | 0 | 111.2 | V98 H158 D164 Y165 | V98-H162 HydrophobicContact CG1-CB 4.48Å; V98-H162 WeakPolarHBondContact CG1-CD2 3.45Å; H158-H162 AromaticContact CE1-CD2 3.58Å; H158-H162 AromaticContact ND1-CD2 3.81Å; H158-H162 PolarHBondContact O-N 2.83Å; H162-D164 VanDerWaalsContact C-N 3.27Å; H162-D164 PolarHBondContact O-N 3Å; H162-Y165 WeakPolarHBondContact O-CB 3.39Å; H162-Y165 PolarHBondContact O-N 3.43Å | ||
| 163 | P | 95.5 | Very high | 93.5 | Very high | 99 Ų | 99 | 127.9 Ų | 127.9 | 64% | 0.643 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.8 | -34.8 | -177.8 | 24.1 | -34.2 | 0 | 0 | 0 | 113 | K159 Y165 | K159-P163 WeakPolarHBondContact O-CA 3.46Å; P163-Y165 PolarHBondContact O-N 2.95Å |
| 164 | D | 94.2 | Very high | 91.9 | Very high | 157 Ų | 157 | 129.9 Ų | 129.9 | 84% | 0.84 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 7.2 | 176 | -59.2 | -59.1 | 0 | 0 | 0 | 113.9 | H162 K166 | H162-D164 VanDerWaalsContact C-N 3.27Å; H162-D164 PolarHBondContact O-N 3Å; D164-K166 PolarHBondContact O-N 3.33Å |
| 165 | Y | 95.9 | Very high | 90.1 | Very high | 69 Ų | 69 | 132.5 Ų | 132.5 | 27% | 0.271 | 61% | 0.613 | S | S | . | * | trans | -66.8 | 104.9 | -178 | -178.2 | -100.7 | 0 | 0 | 0 | 112.1 | V98 R100 H158 H162 P163 | V98-Y165 HydrophobicContact CB-CD2 3.94Å; V98-Y165 HydrophobicContact CB-CE2 4.03Å; V98-Y165 HydrophobicContact CG1-CD2 3.42Å; V98-Y165 VanDerWaalsContact CG1-CD2 3.42Å; V98-Y165 HydrophobicContact CG1-CE2 3.64Å; V98-Y165 HydrophobicContact CG1-CG 4.33Å; V98-Y165 WeakPolarHBondContact O-CE2 3.46Å; R100-Y165 WeakPolarHBondContact CG-OH 3.15Å; H158-Y165 AromaticContact NE2-CD1 3.47Å; H158-Y165 WeakPolarHBondContact NE2-CD1 3.25Å; H158-Y165 AromaticContact NE2-CD2 3.77Å; H158-Y165 AromaticContact NE2-CE1 3.8Å; H158-Y165 AromaticContact NE2-CG 3.45Å; H162-Y165 WeakPolarHBondContact O-CB 3.39Å; H162-Y165 PolarHBondContact O-N 3.43Å; P163-Y165 PolarHBondContact O-N 2.95Å | ||
| 166 | K | 94.3 | Very high | 87.9 | Confident | 166 Ų | 166 | 133.6 Ų | 133.6 | 72% | 0.722 | 62% | 0.622 | S | S | * | * | trans | -105 | 119.6 | 170.9 | -167.1 | 166 | -173.5 | 169.5 | 0 | 110.5 | D164 Q168 | D164-K166 PolarHBondContact O-N 3.33Å; K166-Q168 PolarHBondContact O-N 2.87Å | ||
| 167 | Y | 95.4 | Very high | 85.7 | Confident | 112 Ų | 112 | 132.6 Ų | 132.6 | 44% | 0.439 | 63% | 0.633 | S | S | . | * | trans | -63.3 | 120.7 | 172.2 | 169.8 | -136.4 | 0 | 0 | 0 | 110.5 | R100 P169 | R100-Y167 VanDerWaalsContact CZ-CZ 3.44Å; R100-Y167 VanDerWaalsContact NH1-CZ 3.29Å; R100-Y167 PolarHBondContact NH1-OH 3.37Å; R100-Y167 VanDerWaalsContact NH2-CZ 3.33Å; R100-Y167 PolarHBondContact NH2-OH 2.98Å; Y167-P169 HydrophobicContact CD1-CG 4.43Å; Y167-P169 HydrophobicContact CE1-CG 3.79Å; Y167-P169 HydrophobicContact CE2-CB 4.39Å; Y167-P169 HydrophobicContact CE2-CG 4.18Å | ||
| 168 | Q | 92.3 | Very high | 83.2 | Confident | 160 Ų | 160 | 135.8 Ų | 135.8 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | trans | -114 | 106 | 176.1 | -64.9 | 179.3 | 15.7 | 0 | 0 | 109.9 | K166 R170 | K166-Q168 PolarHBondContact O-N 2.87Å; Q168-R170 PolarHBondContact O-N 2.87Å | ||
| 169 | P | 92.3 | Very high | 80.7 | Confident | 87 Ų | 87 | 143 Ų | 143 | 57% | 0.565 | 69% | 0.69 | S | S | * | * | trans | -66 | 114.3 | 173.7 | -14.5 | 26.1 | 0 | 0 | 0 | 110.9 | Y167 R171 | Y167-P169 HydrophobicContact CD1-CG 4.43Å; Y167-P169 HydrophobicContact CE1-CG 3.79Å; Y167-P169 HydrophobicContact CE2-CB 4.39Å; Y167-P169 HydrophobicContact CE2-CG 4.18Å; P169-R171 PolarHBondContact O-N 3.26Å | ||
| 170 | R | 90 | Very high | 78.1 | Confident | 224 Ų | 224 | 138.8 Ų | 138.8 | 85% | 0.845 | 69% | 0.692 | S | S | * | * | trans | -71.9 | 98.6 | 174.7 | -172.9 | 176.4 | -172.5 | -98.6 | 3.8 | 110.2 | Q168 R172 | Q168-R170 PolarHBondContact O-N 2.87Å; R170-R172 PolarHBondContact O-N 2.93Å | ||
| 171 | R | 88.4 | Confident | 75.6 | Confident | 230 Ų | 230 | 140.8 Ų | 140.8 | 87% | 0.868 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 126.6 | 164.9 | -72.1 | -179.6 | 69.9 | -172.6 | 3 | 108.6 | P169 K173 | P169-R171 PolarHBondContact O-N 3.26Å; R171-K173 PolarHBondContact O-N 2.98Å |
| 172 | R | 85.5 | Confident | 73 | Confident | 218 Ų | 218 | 140.6 Ų | 140.6 | 82% | 0.823 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 124.7 | 165.7 | -59.6 | -172.5 | 79.9 | -172.7 | 3.9 | 106.4 | R170 N174 | R170-R172 PolarHBondContact O-N 2.93Å; R172-N174 PolarHBondContact O-N 3.01Å |
| 173 | K | 79.3 | Confident | 70.3 | Confident | 198 Ų | 198 | 146.8 Ų | 146.8 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 118.6 | 163.8 | -174.7 | 175.4 | -179 | -179.3 | 0 | 105.7 | R171 G175 | R171-K173 PolarHBondContact O-N 2.98Å; K173-G175 PolarHBondContact O-N 3.06Å |
| 174 | N | 63.3 | Low | 67.3 | Low | 156 Ų | 156 | 145.9 Ų | 145.9 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -67.7 | 85.4 | 169.9 | -70.1 | 51.4 | 0 | 0 | 0 | 107.5 | R172 K176 | R172-N174 PolarHBondContact O-N 3.01Å; N174-K176 PolarHBondContact O-N 3.35Å | ||
| 175 | G | 57.9 | Low | 64.4 | Low | 63 Ų | 63 | 146.1 Ų | 146.1 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | trans | -62.8 | 119.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | K173 A177 | K173-G175 PolarHBondContact O-N 3.06Å; G175-A177 PolarHBondContact O-N 3.21Å | ||
| 176 | K | 51.1 | Low | 61.4 | Low | 193 Ų | 193 | 149.4 Ų | 149.4 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -52.3 | 134.7 | 148.9 | -70.6 | -176.3 | 174.3 | -174.8 | 0 | 106.2 | N174 T178 | N174-K176 PolarHBondContact O-N 3.35Å; K176-T178 PolarHBondContact O-N 3.35Å | ||
| 177 | A | 50.5 | Low | 58.5 | Low | 96 Ų | 96 | 147.9 Ų | 147.9 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | trans | -72.8 | 74.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108 | G175 Q179 | G175-A177 PolarHBondContact O-N 3.21Å; A177-Q179 PolarHBondContact O-N 3.25Å; A177-Q179 VanDerWaalsContact O-N 3.09Å | ||
| 178 | T | 42.9 | Very low | 55.5 | Low | 125 Ų | 125 | 146.3 Ų | 146.3 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | trans | -61.4 | 110.1 | 160.1 | -63.3 | 0 | 0 | 0 | 0 | 105.4 | K176 | K176-T178 PolarHBondContact O-N 3.35Š| ||
| 179 | Q | 43.8 | Very low | 52.6 | Low | 175 Ų | 175 | 147.3 Ų | 147.3 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 140.7 | 174.7 | -69.4 | 159.3 | -69.3 | 0 | 0 | 108.5 | A177 | A177-Q179 PolarHBondContact O-N 3.25Å; A177-Q179 VanDerWaalsContact O-N 3.09Å |
| 180 | G | 42.2 | Very low | 49.8 | Very low | 72 Ų | 72 | 149.2 Ų | 149.2 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 124.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||
| 181 | E | 45.3 | Very low | 46.9 | Very low | 204 Ų | 204 | 142.2 Ų | 142.2 | 95% | 0.953 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 124.1 | 159.7 | -66.9 | 179.8 | 172.9 | 0 | 0 | 106.8 | ||
| 182 | G | 38.1 | Very low | 44.1 | Very low | 72 Ų | 72 | 135.2 Ų | 135.2 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | 163.5 | 95.5 | -164.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 183 | E | 37.3 | Very low | 41.5 | Very low | 206 Ų | 206 | 129.9 Ų | 129.9 | 96% | 0.963 | 81% | 0.813 | S | S | * | * | trans | -74.1 | 149.1 | -160.3 | -60.4 | 163.2 | 124.8 | 0 | 0 | 113.3 | ||||
| 184 | G | 33.1 | Very low | 39.5 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 81% | 0.812 | S | S | * | * | trans | 173 | 73.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 185 | Q | 32.6 | Very low | 38.1 | Very low | 161 Ų | 161 | 122 Ų | 122 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -79.2 | 141 | -178.7 | 174.6 | 167.4 | 7.4 | 0 | 0 | 112.9 | D187 | Q185-D187 PolarHBondContact NE2-OD2 3.33Š| ||
| 186 | V | 34.8 | Very low | 37.7 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 84% | 0.836 | 82% | 0.817 | S | S | * | * | -171.1 | 146.3 | 127.5 | 143.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 187 | D | 32.1 | Very low | 37.1 | Very low | 134 Ų | 134 | 126 Ų | 126 | 72% | 0.717 | 82% | 0.815 | S | S | * | * | trans | -85.9 | 162.9 | -160.4 | -56.8 | -99.8 | 0 | 0 | 0 | 115.4 | Q185 | Q185-D187 PolarHBondContact NE2-OD2 3.33Š| ||
| 188 | G | 32.2 | Very low | 36.3 | Very low | 80 Ų | 80 | 125.4 Ų | 125.4 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 168.6 | 83.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 189 | E | 31.9 | Very low | 36 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -74 | 168.8 | 168.1 | -60.2 | -179.3 | 66.3 | 0 | 0 | 111.9 | ||||
| 190 | T | 33.5 | Very low | 35.6 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | cis | -142.1 | 149.9 | 4.2 | -19.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 191 | G | 30 | Very low | 35.3 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | 80 | 126 | 91.1 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 192 | G | 28.2 | Very low | 34.6 | Very low | 82 Ų | 82 | 132.3 Ų | 132.3 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | cis | 177.5 | 166.8 | -3.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 193 | A | 31.8 | Very low | 34.2 | Very low | 106 Ų | 106 | 134.4 Ų | 134.4 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | -141.9 | 131 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 194 | A | 36.2 | Very low | 34 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | trans | -75.5 | 128.9 | -167 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 195 | A | 35.7 | Very low | 34 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | trans | -93.4 | 100.2 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q197 | A195-Q197 PolarHBondContact O-N 3.25Å; A195-Q197 VanDerWaalsContact O-N 3.11Å | ||
| 196 | I | 47.5 | Very low | 33.9 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -66.8 | 107.7 | 171.4 | -58.4 | 174.7 | 0 | 0 | 0 | 108.3 | ||||
| 197 | Q | 39.6 | Very low | 33.9 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -91.9 | 134.2 | 171.2 | -65.9 | -162.6 | 19.9 | 0 | 0 | 110.5 | A195 H199 | A195-Q197 PolarHBondContact O-N 3.25Å; A195-Q197 VanDerWaalsContact O-N 3.11Å; Q197-H199 PolarHBondContact O-N 3.19Å | ||
| 198 | A | 33.8 | Very low | 33.8 | Very low | 84 Ų | 84 | 137 Ų | 137 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | trans | -80.5 | 118.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y200 | A198-Y200 PolarHBondContact O-N 2.97Š| ||
| 199 | H | 36.9 | Very low | 34 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -71.6 | 104.6 | 164 | -71.4 | -93.7 | 0 | 0 | 0 | 109.7 | Q197 | Q197-H199 PolarHBondContact O-N 3.19Š| ||
| 200 | Y | 35.1 | Very low | 34.7 | Very low | 208 Ų | 208 | 138 Ų | 138 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -113.2 | 143.9 | 157.5 | 63.3 | -93.1 | 0 | 0 | 0 | 110.1 | A198 | A198-Y200 PolarHBondContact O-N 2.97Š| ||
| 201 | K | 34.8 | Very low | 34.5 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -75 | 143.9 | -163.6 | -59.4 | 172.8 | -178.2 | 176.5 | 0 | 111.8 | ||||
| 202 | S | 30.8 | Very low | 34.7 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -136.2 | 100.9 | 155.3 | -171.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 203 | T | 30.9 | Very low | 34.8 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 71% | 0.712 | 79% | 0.789 | S | S | * | * | trans | -152.3 | 86.3 | -172.3 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 204 | H | 32.1 | Very low | 35.2 | Very low | 165 Ų | 165 | 142.1 Ų | 142.1 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | trans | -168.1 | 127.1 | 132.1 | -129.5 | -112.4 | 0 | 0 | 0 | 111.6 | ||||
| 205 | L | 34.2 | Very low | 36.2 | Very low | 109 Ų | 109 | 142.6 Ų | 142.6 | 57% | 0.571 | 78% | 0.781 | S | S | * | * | trans | 40.2 | 153.7 | 144.9 | -85.7 | 60.4 | 0 | 0 | 0 | 121.2 | ||||
| 206 | D | 30.5 | Very low | 36.2 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | cis | -139.9 | -179.3 | 28.4 | -133 | -46.1 | 0 | 0 | 0 | 116.3 | ||||
| 207 | H | 34.8 | Very low | 35.5 | Very low | 152 Ų | 152 | 144 Ų | 144 | 70% | 0.704 | 78% | 0.784 | S | S | * | * | trans | -94.5 | 157.7 | -164.6 | -54.5 | 75.7 | 0 | 0 | 0 | 114.3 | ||||
| 208 | R | 29.3 | Very low | 35.4 | Very low | 212 Ų | 212 | 143.8 Ų | 143.8 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | 157.8 | 114.9 | 96.4 | -169.8 | 165.9 | -170.6 | -96.6 | -5.6 | 116.4 | |||||
| 209 | H | 37 | Very low | 35.3 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | trans | 66.7 | 157.9 | 155.8 | -76 | -54.2 | 0 | 0 | 0 | 122.4 | ||||
| 210 | P | 45.5 | Very low | 35.3 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | trans | -109.5 | 168.8 | -169.7 | 42.4 | -34.3 | 0 | 0 | 0 | 114.7 | ||||
| 211 | G | 30 | Very low | 36 | Very low | 75 Ų | 75 | 137 Ų | 137 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -175.8 | 141.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 212 | E | 33.1 | Very low | 35.8 | Very low | 208 Ų | 208 | 134 Ų | 134 | 97% | 0.972 | 77% | 0.769 | S | S | * | * | trans | -55.1 | 162.7 | -174.4 | -55.5 | 167.2 | 140.6 | 0 | 0 | 116 | ||||
| 213 | G | 31.2 | Very low | 35.9 | Very low | 76 Ų | 76 | 136 Ų | 136 | 78% | 0.784 | 77% | 0.765 | S | S | * | * | trans | 132.9 | 125.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 214 | S | 39.5 | Very low | 35.9 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | -146.4 | 167.2 | 164.5 | -71.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 215 | P | 58.8 | Low | 36.2 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -133.3 | -162.1 | -15.7 | 23.1 | 2.7 | 0 | 0 | 0 | 112.3 | ||||
| 216 | M | 35.4 | Very low | 36.4 | Very low | 176 Ų | 176 | 131.3 Ų | 131.3 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | 92.3 | 140.4 | 149.6 | -53.5 | -164.4 | 71.8 | 0 | 0 | 122.1 | ||||
| 217 | S | 32.8 | Very low | 36.9 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 119.8 | 140.4 | 132.5 | -153.6 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 218 | D | 36.8 | Very low | 37.1 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | trans | -77.9 | 162 | -173.3 | -56.2 | -98 | 0 | 0 | 0 | 115 | ||||
| 219 | G | 32 | Very low | 37.9 | Very low | 82 Ų | 82 | 129.1 Ų | 129.1 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | trans | -179.8 | 90.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 220 | H | 35.8 | Very low | 38.5 | Very low | 162 Ų | 162 | 124.4 Ų | 124.4 | 75% | 0.75 | 78% | 0.78 | S | S | * | * | trans | -96.8 | 150.8 | 154.3 | -160.1 | -115.7 | 0 | 0 | 0 | 106.2 | ||||
| 221 | P | 49.7 | Very low | 39.1 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | cis | -150.8 | 172.8 | 47.7 | 43.5 | -22.3 | 0 | 0 | 0 | 120.2 | ||||
| 222 | E | 30.8 | Very low | 40.2 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 60% | 0.603 | 78% | 0.781 | S | S | * | * | trans | 47 | 121.1 | 142.8 | -69 | -73.1 | 131.9 | 0 | 0 | 120.3 | ||||
| 223 | H | 33.8 | Very low | 41.1 | Very low | 167 Ų | 167 | 123.1 Ų | 123.1 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | 177.5 | 139.5 | 103.6 | -96.4 | -57.9 | 0 | 0 | 0 | 115.9 | |||||
| 224 | S | 31.1 | Very low | 42 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | 75.9 | 144.7 | 140.8 | 73.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 225 | S | 37 | Very low | 42.5 | Very low | 112 Ų | 112 | 125.1 Ų | 125.1 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | 53.9 | 117.1 | 158.7 | 49.2 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 226 | G | 38.6 | Very low | 41.6 | Very low | 80 Ų | 80 | 125.5 Ų | 125.5 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -89.1 | 140.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 227 | Q | 41.3 | Very low | 42.1 | Very low | 163 Ų | 163 | 123 Ų | 123 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -134.5 | 121.1 | 169.2 | -157.8 | 87.3 | 55.7 | 0 | 0 | 108.9 | H229 | Q227-H229 PolarHBondContact O-CD2 3.29Å; Q227-H229 PolarHBondContact O-N 3.15Å | ||
| 228 | S | 38.8 | Very low | 42.4 | Very low | 122 Ų | 122 | 124 Ų | 124 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -84.1 | 98.6 | -176.4 | 56.8 | 0 | 0 | 0 | 0 | 111.8 | G230 | S228-G230 PolarHBondContact O-N 2.98Š| ||
| 229 | H | 46.4 | Very low | 42.3 | Very low | 169 Ų | 169 | 125.7 Ų | 125.7 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | trans | -85.8 | 106 | 174.2 | -69.3 | -82.4 | 0 | 0 | 0 | 111.3 | Q227 | Q227-H229 PolarHBondContact O-CD2 3.29Å; Q227-H229 PolarHBondContact O-N 3.15Å | ||
| 230 | G | 50.2 | Low | 42.7 | Very low | 60 Ų | 60 | 128.2 Ų | 128.2 | 62% | 0.619 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 162.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112 | S228 | S228-G230 PolarHBondContact O-N 2.98Š|
| 231 | P | 58.2 | Low | 42.5 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 139.5 | -178.3 | 27.7 | -34.7 | 0 | 0 | 0 | 111.6 | ||
| 232 | P | 52.5 | Low | 42 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 138 | 178.8 | 28.2 | -34.3 | 0 | 0 | 0 | 111.7 | ||
| 233 | T | 51.6 | Low | 42.1 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 142 | 174.2 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 234 | P | 50.3 | Low | 42 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 143.1 | 177.1 | 30.2 | -35.1 | 0 | 0 | 0 | 112 | ||
| 235 | P | 50.4 | Low | 42.1 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -80 | 132.9 | 179.1 | 31 | -34.1 | 0 | 0 | 0 | 113.5 | ||
| 236 | T | 39.6 | Very low | 41.9 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | 14.9 | 112.5 | 146.6 | 53.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 237 | T | 45.7 | Very low | 41.8 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 76% | 0.761 | 79% | 0.793 | S | S | * | * | trans | 34.9 | 109.6 | 132.2 | 57.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 238 | P | 39.9 | Very low | 41.3 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 145.8 | 156.2 | 31.7 | -33 | 0 | 0 | 0 | 110.7 | ||
| 239 | K | 34.5 | Very low | 41.2 | Very low | 199 Ų | 199 | 132.6 Ų | 132.6 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 149.8 | 173.1 | -88.9 | -176.2 | 171.4 | -176.9 | 0 | 111.7 | E241 | K239-E241 PolarHBondContact O-N 2.97Š|
| 240 | T | 40.6 | Very low | 40.7 | Very low | 134 Ų | 134 | 133.4 Ų | 133.4 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65 | 123.6 | 154.7 | -50.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 241 | E | 30.9 | Very low | 40 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | trans | -139 | 130.5 | 157.7 | -168.3 | 174.3 | 134.7 | 0 | 0 | 109.2 | K239 Q243 | K239-E241 PolarHBondContact O-N 2.97Å; E241-Q243 PolarHBondContact OE1-NE2 3.23Å | ||
| 242 | L | 39.6 | Very low | 38.7 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -93.9 | 121.4 | 175.7 | -70.3 | 164.9 | 0 | 0 | 0 | 108.8 | ||||
| 243 | Q | 33.4 | Very low | 37.8 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | -130.9 | 134.9 | 160.9 | -66.7 | -161.8 | 21.4 | 0 | 0 | 110.1 | E241 | E241-Q243 PolarHBondContact OE1-NE2 3.23Š| ||
| 244 | A | 32.3 | Very low | 37 | Very low | 105 Ų | 105 | 143.2 Ų | 143.2 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -119.3 | 140.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 245 | G | 32.9 | Very low | 36 | Very low | 70 Ų | 70 | 142.5 Ų | 142.5 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | 84.5 | 119.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 246 | K | 32.6 | Very low | 35.2 | Very low | 217 Ų | 217 | 145.1 Ų | 145.1 | 94% | 0.943 | 79% | 0.793 | S | S | * | * | -158.3 | 151.7 | 92.8 | -100.5 | 166.8 | -175.6 | 178.1 | 0 | 110.7 | |||||
| 247 | A | 37 | Very low | 34.8 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 78% | 0.777 | 79% | 0.792 | S | S | * | * | trans | -95 | 148.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 248 | D | 30.7 | Very low | 34.3 | Very low | 161 Ų | 161 | 146.4 Ų | 146.4 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -138.2 | 167.8 | 146.6 | -145 | -48.4 | 0 | 0 | 0 | 108.3 | ||||
| 249 | S | 35.8 | Very low | 34.5 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | trans | -128 | -169.7 | -162.6 | -69.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 250 | K | 35.1 | Very low | 34.7 | Very low | 186 Ų | 186 | 138 Ų | 138 | 81% | 0.809 | 79% | 0.794 | S | S | * | * | trans | 85.4 | 103.4 | 169.5 | -143.9 | 160.1 | 177.4 | -178.3 | 0 | 112.1 | ||||
| 251 | R | 37.5 | Very low | 35.4 | Very low | 194 Ų | 194 | 141 Ų | 141 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | 87 | 134.8 | 80.6 | 176.6 | -166.2 | -94 | -112.3 | 8.9 | 110.5 | |||||
| 252 | E | 30.7 | Very low | 36.7 | Very low | 144 Ų | 144 | 139.5 Ų | 139.5 | 67% | 0.673 | 80% | 0.799 | S | S | * | * | cis | -147.6 | 162.2 | 2 | -131.1 | 129.1 | -149.3 | 0 | 0 | 107 | ||||
| 253 | G | 32.6 | Very low | 37.1 | Very low | 58 Ų | 58 | 139.9 Ų | 139.9 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | cis | 145.7 | 130.2 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 254 | R | 35.2 | Very low | 38.5 | Very low | 248 Ų | 248 | 137.2 Ų | 137.2 | 94% | 0.936 | 79% | 0.786 | S | S | * | * | trans | 76.6 | 142.5 | 171.3 | -51.9 | 177.5 | -170.4 | -148.6 | 0.7 | 116.7 | ||||
| 255 | S | 29.8 | Very low | 40 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | cis | -170.5 | 172 | -13.7 | -167.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 256 | L | 33.3 | Very low | 41.3 | Very low | 173 Ų | 173 | 141.3 Ų | 141.3 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | 81.2 | 144 | 159.5 | -119.3 | 71.9 | 0 | 0 | 0 | 120.8 | ||||
| 257 | G | 31.7 | Very low | 43 | Very low | 68 Ų | 68 | 133.9 Ų | 133.9 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | 96 | 74.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 258 | E | 35 | Very low | 44.1 | Very low | 202 Ų | 202 | 136.4 Ų | 136.4 | 94% | 0.944 | 76% | 0.755 | S | S | * | * | 67 | 129.9 | 83.4 | -162.1 | -174.3 | 156.5 | 0 | 0 | 115.1 | |||||
| 259 | G | 43.5 | Very low | 45.8 | Very low | 77 Ų | 77 | 131.7 Ų | 131.7 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 99.6 | 7.8 | 160.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 260 | G | 37.8 | Very low | 47.1 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 127.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 261 | K | 56.7 | Low | 48.4 | Very low | 198 Ų | 198 | 129.6 Ų | 129.6 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 146.1 | 173.1 | -59.8 | 175.5 | -175.3 | 176.7 | 0 | 110.8 | H263 | K261-H263 PolarHBondContact O-N 3.01Š|
| 262 | P | 57.6 | Low | 49.7 | Very low | 117 Ų | 117 | 122.5 Ų | 122.5 | 76% | 0.76 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 125.6 | 172.6 | 26.3 | -33.7 | 0 | 0 | 0 | 110.4 | I264 | P262-I264 PolarHBondContact O-N 3.3Š|
| 263 | H | 48.9 | Very low | 51.2 | Low | 173 Ų | 173 | 122.7 Ų | 122.7 | 80% | 0.801 | 71% | 0.708 | S | S | * | * | trans | -76.6 | 106.7 | 164.6 | -179.6 | 45.6 | 0 | 0 | 0 | 106.9 | K261 D265 | K261-H263 PolarHBondContact O-N 3.01Å; H263-D265 PolarHBondContact O-N 3.26Å | ||
| 264 | I | 62.4 | Low | 52.4 | Low | 112 Ų | 112 | 124 Ų | 124 | 57% | 0.574 | 70% | 0.7 | S | S | * | * | trans | -71.7 | 102.4 | 178.2 | -55.5 | 174.6 | 0 | 0 | 0 | 107.5 | P262 F266 | P262-I264 PolarHBondContact O-N 3.3Å; I264-F266 HydrophobicContact CB-CE2 4.08Å; I264-F266 HydrophobicContact CB-CZ 4.34Å; I264-F266 HydrophobicContact CG2-CD1 4.49Å; I264-F266 HydrophobicContact CG2-CD2 4.16Å; I264-F266 HydrophobicContact CG2-CE1 4.03Å; I264-F266 HydrophobicContact CG2-CE2 3.66Å; I264-F266 HydrophobicContact CG2-CZ 3.59Å; I264-F266 WeakPolarHBondContact O-CD2 3.27Å | ||
| 265 | D | 62.7 | Low | 53.7 | Low | 100 Ų | 100 | 115 Ų | 115 | 54% | 0.535 | 68% | 0.676 | S | S | . | * | trans | -86.2 | 113.4 | 173.5 | -171.4 | -8.2 | 0 | 0 | 0 | 109.3 | H263 G267 | H263-D265 PolarHBondContact O-N 3.26Å; D265-G267 VanDerWaalsContact C-N 3.28Å; D265-G267 PolarHBondContact OD1-N 3.05Å | ||
| 266 | F | 60.2 | Low | 55 | Low | 160 Ų | 160 | 116.5 Ų | 116.5 | 70% | 0.702 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -82.6 | -2.9 | 179.9 | -67.8 | -87.7 | 0 | 0 | 0 | 113.1 | I264 N268 V269 | I264-F266 HydrophobicContact CB-CE2 4.08Å; I264-F266 HydrophobicContact CB-CZ 4.34Å; I264-F266 HydrophobicContact CG2-CD1 4.49Å; I264-F266 HydrophobicContact CG2-CD2 4.16Å; I264-F266 HydrophobicContact CG2-CE1 4.03Å; I264-F266 HydrophobicContact CG2-CE2 3.66Å; I264-F266 HydrophobicContact CG2-CZ 3.59Å; I264-F266 WeakPolarHBondContact O-CD2 3.27Å; F266-N268 VanDerWaalsContact C-N 3.29Å; F266-N268 PolarHBondContact O-N 3.33Å; F266-V269 HydrophobicContact CD1-CG2 4.42Å |
| 267 | G | 68.3 | Low | 56.5 | Low | 61 Ų | 61 | 114.3 Ų | 114.3 | 63% | 0.629 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -68.1 | -25 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | D265 | D265-G267 VanDerWaalsContact C-N 3.28Å; D265-G267 PolarHBondContact OD1-N 3.05Å |
| 268 | N | 61.2 | Low | 58.1 | Low | 148 Ų | 148 | 115.6 Ų | 115.6 | 79% | 0.791 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -117.4 | 12.5 | -173.4 | -70.3 | 32.1 | 0 | 0 | 0 | 113.5 | F266 D270 | F266-N268 VanDerWaalsContact C-N 3.29Å; F266-N268 PolarHBondContact O-N 3.33Å; N268-D270 PolarHBondContact O-N 3.23Å |
| 269 | V | 66.6 | Low | 59.2 | Low | 61 Ų | 61 | 112.3 Ų | 112.3 | 37% | 0.37 | 64% | 0.636 | S | S | . | * | trans | -81.3 | 107.6 | -179 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | F266 I271 I274 | F266-V269 HydrophobicContact CD1-CG2 4.42Å; V269-I271 PolarHBondContact O-N 3.28Å; V269-I274 HydrophobicContact CG1-CD1 3.38Å; V269-I274 HydrophobicContact CG1-CG1 4.42Å | ||
| 270 | D | 61.8 | Low | 60.1 | Low | 105 Ų | 105 | 112.7 Ų | 112.7 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | trans | -74.8 | 116.2 | 175.9 | -162.8 | -26 | 0 | 0 | 0 | 110.7 | N268 G272 E273 I274 | N268-D270 PolarHBondContact O-N 3.23Å; D270-G272 PolarHBondContact O-N 3.07Å; D270-G272 PolarHBondContact OD1-N 3.24Å; D270-E273 HydrophobicContact CB-CB 4.25Å; D270-E273 PolarHBondContact O-N 3.26Å; D270-I274 PolarHBondContact O-N 3.13Å | ||
| 271 | I | 62.9 | Low | 61.1 | Low | 140 Ų | 140 | 115.3 Ų | 115.3 | 72% | 0.718 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.3 | -25 | 179 | -69.1 | 170.5 | 0 | 0 | 0 | 111.1 | V269 S275 | V269-I271 PolarHBondContact O-N 3.28Å; I271-S275 WeakPolarHBondContact O-CB 3.39Å; I271-S275 PolarHBondContact O-N 3.21Å; I271-S275 VanDerWaalsContact O-N 3.08Å |
| 272 | G | 65.7 | Low | 61.4 | Low | 45 Ų | 45 | 112.4 Ų | 112.4 | 46% | 0.464 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -67.8 | -38.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D270 S275 H276 | D270-G272 PolarHBondContact O-N 3.07Å; D270-G272 PolarHBondContact OD1-N 3.24Å; G272-S275 PolarHBondContact O-N 3.25Å; G272-H276 PolarHBondContact O-N 3.14Å |
| 273 | E | 61 | Low | 61.6 | Low | 147 Ų | 147 | 115.3 Ų | 115.3 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.5 | -45 | -179.3 | -167.1 | 168.4 | -133.5 | 0 | 0 | 111.2 | D270 S275 H276 E277 | D270-E273 HydrophobicContact CB-CB 4.25Å; D270-E273 PolarHBondContact O-N 3.26Å; E273-S275 VanDerWaalsContact C-N 3.32Å; E273-S275 PolarHBondContact O-N 3.31Å; E273-H276 PolarHBondContact O-N 3.23Å; E273-H276 VanDerWaalsContact O-N 3.13Å; E273-E277 PolarHBondContact O-N 3.1Å |
| 274 | I | 59.1 | Low | 62 | Low | 86 Ų | 86 | 113.5 Ų | 113.5 | 44% | 0.441 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.1 | -40.4 | 172.7 | -66.8 | 176.6 | 0 | 0 | 0 | 111.3 | V269 D270 H276 E277 V278 | V269-I274 HydrophobicContact CG1-CD1 3.38Å; V269-I274 HydrophobicContact CG1-CG1 4.42Å; D270-I274 PolarHBondContact O-N 3.13Å; I274-H276 VanDerWaalsContact C-N 3.29Å; I274-H276 PolarHBondContact O-N 2.94Å; I274-E277 PolarHBondContact O-N 3.08Å; I274-V278 HydrophobicContact CG2-CG2 4.38Å; I274-V278 WeakPolarHBondContact O-CB 3.36Å; I274-V278 WeakPolarHBondContact O-CG2 3.43Å; I274-V278 PolarHBondContact O-N 2.91Å |
| 275 | S | 61.2 | Low | 61.2 | Low | 60 Ų | 60 | 116.1 Ų | 116.1 | 42% | 0.42 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62 | -39 | 175.9 | -166.6 | 0 | 0 | 0 | 0 | 111.4 | I271 G272 E273 M279 | I271-S275 WeakPolarHBondContact O-CB 3.39Å; I271-S275 PolarHBondContact O-N 3.21Å; I271-S275 VanDerWaalsContact O-N 3.08Å; G272-S275 PolarHBondContact O-N 3.25Å; E273-S275 VanDerWaalsContact C-N 3.32Å; E273-S275 PolarHBondContact O-N 3.31Å; S275-M279 VanDerWaalsContact O-CB 3.23Å; S275-M279 WeakPolarHBondContact O-CB 3.35Å; S275-M279 WeakPolarHBondContact O-CG 3.49Å; S275-M279 PolarHBondContact O-N 2.85Å |
| 276 | H | 56.6 | Low | 61.2 | Low | 136 Ų | 136 | 115.9 Ų | 115.9 | 63% | 0.63 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -69.9 | -41 | 177.9 | -167.4 | -79.1 | 0 | 0 | 0 | 112.3 | G272 E273 I274 M279 S280 | G272-H276 PolarHBondContact O-N 3.14Å; E273-H276 PolarHBondContact O-N 3.23Å; E273-H276 VanDerWaalsContact O-N 3.13Å; I274-H276 VanDerWaalsContact C-N 3.29Å; I274-H276 PolarHBondContact O-N 2.94Å; H276-M279 PolarHBondContact O-N 3.4Å; H276-S280 WeakPolarHBondContact O-CB 3.23Å; H276-S280 PolarHBondContact O-N 2.95Å |
| 277 | E | 64.6 | Low | 61.4 | Low | 128 Ų | 128 | 112.8 Ų | 112.8 | 60% | 0.598 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.1 | -43.5 | 176.6 | -172.1 | 175.1 | -148.2 | 0 | 0 | 111.8 | E273 I274 S280 N281 | E273-E277 PolarHBondContact O-N 3.1Å; I274-E277 PolarHBondContact O-N 3.08Å; E277-S280 PolarHBondContact O-N 3.45Å; E277-N281 WeakPolarHBondContact O-CB 3.49Å; E277-N281 PolarHBondContact O-N 3Å; E277-N281 VanDerWaalsContact O-N 3.07Å |
| 278 | V | 65.4 | Low | 61 | Low | 95 Ų | 95 | 115.9 Ų | 115.9 | 58% | 0.576 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.4 | -41.1 | 176.4 | 173 | 0 | 0 | 0 | 0 | 111.7 | I274 S280 M282 | I274-V278 HydrophobicContact CG2-CG2 4.38Å; I274-V278 WeakPolarHBondContact O-CB 3.36Å; I274-V278 WeakPolarHBondContact O-CG2 3.43Å; I274-V278 PolarHBondContact O-N 2.91Å; V278-S280 VanDerWaalsContact C-N 3.34Å; V278-M282 PolarHBondContact O-N 2.95Å |
| 279 | M | 58.6 | Low | 61.4 | Low | 133 Ų | 133 | 114.2 Ų | 114.2 | 66% | 0.655 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.5 | -28.3 | 176.5 | -71.4 | 170 | 64.3 | 0 | 0 | 112.9 | S275 H276 | S275-M279 VanDerWaalsContact O-CB 3.23Å; S275-M279 WeakPolarHBondContact O-CB 3.35Å; S275-M279 WeakPolarHBondContact O-CG 3.49Å; S275-M279 PolarHBondContact O-N 2.85Å; H276-M279 PolarHBondContact O-N 3.4Å |
| 280 | S | 62.5 | Low | 60.9 | Low | 84 Ų | 84 | 117 Ų | 117 | 59% | 0.587 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -80.1 | -26.1 | 177.5 | -173.7 | 0 | 0 | 0 | 0 | 113.7 | H276 E277 V278 | H276-S280 WeakPolarHBondContact O-CB 3.23Å; H276-S280 PolarHBondContact O-N 2.95Å; E277-S280 PolarHBondContact O-N 3.45Å; V278-S280 VanDerWaalsContact C-N 3.34Å |
| 281 | N | 59 | Low | 61 | Low | 132 Ų | 132 | 116 Ų | 116 | 71% | 0.706 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -94 | -0.5 | 176.5 | -77.9 | -25.8 | 0 | 0 | 0 | 113.3 | E277 | E277-N281 WeakPolarHBondContact O-CB 3.49Å; E277-N281 PolarHBondContact O-N 3Å; E277-N281 VanDerWaalsContact O-N 3.07Å |
| 282 | M | 62.7 | Low | 61.2 | Low | 138 Ų | 138 | 116.8 Ų | 116.8 | 68% | 0.68 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -87.2 | 114 | 172.8 | -163.2 | 164.9 | 71.9 | 0 | 0 | 109.4 | V278 | V278-M282 PolarHBondContact O-N 2.95Š|
| 283 | E | 62.8 | Low | 60.7 | Low | 177 Ų | 177 | 123 Ų | 123 | 83% | 0.827 | 62% | 0.621 | S | S | * | * | trans | -56.2 | 144.6 | -178.9 | -168.6 | 163.3 | -152.2 | 0 | 0 | 111.6 | F285 | E283-F285 PolarHBondContact O-N 3.39Š| ||
| 284 | T | 56.2 | Low | 60.9 | Low | 136 Ų | 136 | 120.4 Ų | 120.4 | 83% | 0.834 | 61% | 0.612 | S | S | * | * | trans | -65.9 | 101.9 | -173.6 | 49.1 | 0 | 0 | 0 | 0 | 110.7 | D286 | T284-D286 PolarHBondContact O-N 3Å; T284-D286 VanDerWaalsContact O-N 3.08Å | ||
| 285 | F | 46.4 | Very low | 60.7 | Low | 167 Ų | 167 | 121 Ų | 121 | 73% | 0.732 | 62% | 0.622 | S | S | * | * | trans | -57.1 | 109.3 | -175.9 | -149.9 | -88.8 | 0 | 0 | 0 | 111 | E283 V287 | E283-F285 PolarHBondContact O-N 3.39Å; F285-V287 PolarHBondContact O-N 3.13Å; F285-V287 VanDerWaalsContact O-N 3.1Å | ||
| 286 | D | 63.3 | Low | 60.4 | Low | 95 Ų | 95 | 125 Ų | 125 | 51% | 0.508 | 65% | 0.646 | S | S | . | * | trans | -73.9 | 104.7 | 179.4 | -169.3 | -5.2 | 0 | 0 | 0 | 110 | T284 N288 E289 | T284-D286 PolarHBondContact O-N 3Å; T284-D286 VanDerWaalsContact O-N 3.08Å; D286-N288 PolarHBondContact O-N 3.43Å; D286-N288 WeakPolarHBondContact OD1-CB 3.12Å; D286-N288 PolarHBondContact OD1-N 3.08Å; D286-E289 HydrophobicContact CB-CB 4.39Å; D286-E289 PolarHBondContact O-N 3.37Å; D286-E289 VanDerWaalsContact O-N 3.14Å | ||
| 287 | V | 62.9 | Low | 60.2 | Low | 94 Ų | 94 | 126 Ų | 126 | 57% | 0.57 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -60.7 | -28.8 | 179 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | F285 F290 D291 | F285-V287 PolarHBondContact O-N 3.13Å; F285-V287 VanDerWaalsContact O-N 3.1Å; V287-F290 PolarHBondContact O-N 3.38Å; V287-D291 PolarHBondContact O-N 3.34Å |
| 288 | N | 59.7 | Low | 59.4 | Low | 127 Ų | 127 | 123 Ų | 123 | 68% | 0.679 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74.1 | -24.6 | 179.6 | -70.3 | 38.7 | 0 | 0 | 0 | 112.9 | D286 | D286-N288 PolarHBondContact O-N 3.43Å; D286-N288 WeakPolarHBondContact OD1-CB 3.12Å; D286-N288 PolarHBondContact OD1-N 3.08Å |
| 289 | E | 70.4 | Confident | 58.4 | Low | 112 Ų | 112 | 127.3 Ų | 127.3 | 52% | 0.523 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -71.7 | -38.8 | 171.1 | -176.8 | 171.5 | -162 | 0 | 0 | 110.6 | D286 Q292 Y293 | D286-E289 HydrophobicContact CB-CB 4.39Å; D286-E289 PolarHBondContact O-N 3.37Å; D286-E289 VanDerWaalsContact O-N 3.14Å; E289-Q292 WeakPolarHBondContact O-CB 3.16Å; E289-Q292 PolarHBondContact O-N 3.42Å; E289-Y293 HydrophobicContact CG-CE2 4.12Å; E289-Y293 VanDerWaalsContact O-CD2 3.27Å; E289-Y293 WeakPolarHBondContact O-CD2 3.32Å |
| 290 | F | 56.6 | Low | 57.4 | Low | 119 Ų | 119 | 126.6 Ų | 126.6 | 52% | 0.522 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -64.7 | -41.8 | 180 | -172.3 | -101.7 | 0 | 0 | 0 | 112.7 | V287 Q292 Y293 L294 | V287-F290 PolarHBondContact O-N 3.38Å; F290-Q292 PolarHBondContact O-N 3.42Å; F290-Y293 PolarHBondContact O-N 2.89Å; F290-Y293 VanDerWaalsContact O-N 3.13Å; F290-L294 HydrophobicContact CE1-CD2 4.24Å |
| 291 | D | 62.4 | Low | 56.1 | Low | 86 Ų | 86 | 125.9 Ų | 125.9 | 46% | 0.46 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -60.7 | -26.3 | 176.8 | -87.6 | -7 | 0 | 0 | 0 | 112.9 | V287 Y293 L294 | V287-D291 PolarHBondContact O-N 3.34Å; D291-Y293 PolarHBondContact O-N 2.74Å; D291-L294 PolarHBondContact O-N 2.83Å; D291-L294 VanDerWaalsContact OD1-CD1 3.32Å; D291-L294 WeakPolarHBondContact OD1-CD1 3.38Å |
| 292 | Q | 68.1 | Low | 55.1 | Low | 156 Ų | 156 | 128.3 Ų | 128.3 | 73% | 0.729 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -19.5 | 178.1 | -166.6 | 169.4 | 23.6 | 0 | 0 | 113.4 | E289 F290 | E289-Q292 WeakPolarHBondContact O-CB 3.16Å; E289-Q292 PolarHBondContact O-N 3.42Å; F290-Q292 PolarHBondContact O-N 3.42Å |
| 293 | Y | 54.2 | Low | 54.4 | Low | 174 Ų | 174 | 127.3 Ų | 127.3 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 1.4 | 178.2 | -63.9 | -81.8 | 0 | 0 | 0 | 113.8 | E289 F290 D291 | E289-Y293 HydrophobicContact CG-CE2 4.12Å; E289-Y293 VanDerWaalsContact O-CD2 3.27Å; E289-Y293 WeakPolarHBondContact O-CD2 3.32Å; F290-Y293 PolarHBondContact O-N 2.89Å; F290-Y293 VanDerWaalsContact O-N 3.13Å; D291-Y293 PolarHBondContact O-N 2.74Å |
| 294 | L | 67.3 | Low | 52.9 | Low | 93 Ų | 93 | 122 Ų | 122 | 49% | 0.487 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -78.1 | 137 | 175.5 | -63.3 | -179.1 | 0 | 0 | 0 | 111.3 | F290 D291 | F290-L294 HydrophobicContact CE1-CD2 4.24Å; D291-L294 PolarHBondContact O-N 2.83Å; D291-L294 VanDerWaalsContact OD1-CD1 3.32Å; D291-L294 WeakPolarHBondContact OD1-CD1 3.38Å |
| 295 | P | 53.8 | Low | 51.8 | Low | 100 Ų | 100 | 124 Ų | 124 | 65% | 0.649 | 70% | 0.697 | S | S | * | * | trans | -63.5 | 147.8 | 172.5 | 27.6 | -34 | 0 | 0 | 0 | 110.3 | N297 | P295-N297 PolarHBondContact O-N 3.34Š| ||
| 296 | P | 55.6 | Low | 51.1 | Low | 142 Ų | 142 | 122.4 Ų | 122.4 | 92% | 0.922 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -73.4 | 23.3 | -161.7 | 30.7 | -38.9 | 0 | 0 | 0 | 115.7 | ||
| 297 | N | 50.9 | Low | 49.6 | Very low | 159 Ų | 159 | 121.8 Ų | 121.8 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | trans | -116.2 | 34 | -166.8 | -144.9 | 103.4 | 0 | 0 | 0 | 112.4 | P295 | P295-N297 PolarHBondContact O-N 3.34Š| ||
| 298 | G | 48.3 | Very low | 48.1 | Very low | 64 Ų | 64 | 120.8 Ų | 120.8 | 66% | 0.66 | 73% | 0.725 | S | S | * | * | trans | -143.2 | 19.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 299 | H | 44.4 | Very low | 46.9 | Very low | 186 Ų | 186 | 125.1 Ų | 125.1 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | trans | -140.1 | 118.8 | 170.7 | -114.1 | 68.1 | 0 | 0 | 0 | 112.4 | ||||
| 300 | A | 38.8 | Very low | 45.3 | Very low | 117 Ų | 117 | 124 Ų | 124 | 97% | 0.967 | 74% | 0.743 | S | S | * | * | trans | -122.4 | 78.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 301 | G | 35 | Very low | 44.2 | Very low | 70 Ų | 70 | 123.4 Ų | 123.4 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -120.7 | 124.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 302 | H | 36.6 | Very low | 42.9 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -73.7 | 167.2 | 174.2 | -132.4 | -129.3 | 0 | 0 | 0 | 110.7 | ||||
| 303 | P | 48.6 | Very low | 41.1 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -137.5 | 170.4 | 9.5 | 42.7 | -26.6 | 0 | 0 | 0 | 116.6 | ||||
| 304 | G | 31.2 | Very low | 40.3 | Very low | 65 Ų | 65 | 118.8 Ų | 118.8 | 67% | 0.67 | 80% | 0.796 | S | S | * | * | trans | 155.1 | 85.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 305 | H | 32.6 | Very low | 38.7 | Very low | 180 Ų | 180 | 119.3 Ų | 119.3 | 83% | 0.833 | 81% | 0.814 | S | S | * | * | trans | 61 | 138.1 | 140.3 | -148.7 | -116.5 | 0 | 0 | 0 | 121.9 | ||||
| 306 | V | 33.6 | Very low | 37.7 | Very low | 133 Ų | 133 | 118 Ų | 118 | 81% | 0.806 | 82% | 0.819 | S | S | * | * | trans | 56.9 | 146.5 | -177.9 | -46.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 307 | G | 31.2 | Very low | 36.9 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | cis | 141.7 | 90.4 | -6.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 308 | G | 31.4 | Very low | 36 | Very low | 73 Ų | 73 | 119 Ų | 119 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | trans | -170.9 | 157.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 309 | Y | 34.8 | Very low | 35.5 | Very low | 218 Ų | 218 | 124.5 Ų | 124.5 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | -111.9 | 154.3 | -161.5 | 41 | -95.9 | 0 | 0 | 0 | 114.4 | ||||
| 310 | A | 35.5 | Very low | 35 | Very low | 89 Ų | 89 | 119.5 Ų | 119.5 | 74% | 0.736 | 83% | 0.831 | S | S | * | * | trans | 52.5 | 105.8 | 146 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 311 | A | 34.3 | Very low | 34.9 | Very low | 105 Ų | 105 | 119.7 Ų | 119.7 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | 55.9 | 118.9 | 120.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 312 | A | 33.9 | Very low | 35.1 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 89% | 0.893 | 83% | 0.83 | S | S | * | * | trans | -149.8 | 155.4 | 132.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 313 | A | 31.6 | Very low | 35 | Very low | 107 Ų | 107 | 120.4 Ų | 120.4 | 88% | 0.884 | 83% | 0.832 | S | S | * | * | trans | -110.6 | 142.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 314 | A | 36.2 | Very low | 34.5 | Very low | 104 Ų | 104 | 119.2 Ų | 119.2 | 86% | 0.86 | 83% | 0.831 | S | S | * | * | trans | -145.2 | 131 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 315 | A | 34.1 | Very low | 34.7 | Very low | 104 Ų | 104 | 120.5 Ų | 120.5 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | trans | -89.8 | 136.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 316 | G | 33.6 | Very low | 34.9 | Very low | 74 Ų | 74 | 116.5 Ų | 116.5 | 76% | 0.763 | 83% | 0.834 | S | S | * | * | trans | -145.1 | 119.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | G318 | G316-G318 PolarHBondContact O-N 3.21Š| ||
| 317 | Y | 38.3 | Very low | 35 | Very low | 242 Ų | 242 | 115.5 Ų | 115.5 | 95% | 0.949 | 83% | 0.833 | S | S | * | * | trans | -77.6 | 115.7 | -178.1 | -71.1 | -94.5 | 0 | 0 | 0 | 110.7 | ||||
| 318 | G | 31.4 | Very low | 35 | Very low | 78 Ų | 78 | 114.6 Ų | 114.6 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -126.6 | 98.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G316 G320 | G316-G318 PolarHBondContact O-N 3.21Å; G318-G320 PolarHBondContact O-N 3.33Å | ||
| 319 | L | 38.8 | Very low | 35.3 | Very low | 180 Ų | 180 | 119.7 Ų | 119.7 | 94% | 0.942 | 83% | 0.828 | S | S | * | * | trans | -77.8 | 113.7 | 169.6 | -86 | 164.6 | 0 | 0 | 0 | 109.4 | ||||
| 320 | G | 32.9 | Very low | 35.5 | Very low | 81 Ų | 81 | 114.9 Ų | 114.9 | 84% | 0.835 | 83% | 0.826 | S | S | * | * | trans | -71.5 | 129.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G318 | G318-G320 PolarHBondContact O-N 3.33Š| ||
| 321 | S | 36.8 | Very low | 35.6 | Very low | 122 Ų | 122 | 115.2 Ų | 115.2 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | -114.8 | 102.4 | 171.3 | -172.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 322 | A | 38.9 | Very low | 35.6 | Very low | 100 Ų | 100 | 122.1 Ų | 122.1 | 83% | 0.826 | 83% | 0.832 | S | S | * | * | trans | -74.4 | 125.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A324 | A322-A324 PolarHBondContact O-N 3.43Š| ||
| 323 | L | 36 | Very low | 35.7 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -80.8 | 96 | 174.2 | 178.3 | 61.3 | 0 | 0 | 0 | 110.3 | A325 | L323-A325 PolarHBondContact O-N 3.4Š| ||
| 324 | A | 38 | Very low | 35.6 | Very low | 91 Ų | 91 | 125.3 Ų | 125.3 | 75% | 0.752 | 83% | 0.826 | S | S | * | * | trans | -81.6 | 98.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | A322 A326 | A322-A324 PolarHBondContact O-N 3.43Å; A324-A326 PolarHBondContact O-N 3.23Å | ||
| 325 | A | 35.8 | Very low | 35.4 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | -75.1 | 104.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | L323 | L323-A325 PolarHBondContact O-N 3.4Š| ||
| 326 | A | 35.8 | Very low | 35.3 | Very low | 95 Ų | 95 | 131.2 Ų | 131.2 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -104.8 | 93.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A324 G328 | A324-A326 PolarHBondContact O-N 3.23Å; A326-G328 PolarHBondContact O-N 3.25Å | ||
| 327 | S | 36 | Very low | 35.2 | Very low | 112 Ų | 112 | 137 Ų | 137 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -72.6 | 74.4 | 172.6 | -62.7 | 0 | 0 | 0 | 0 | 111.6 | H329 | S327-H329 PolarHBondContact O-N 3.29Š| ||
| 328 | G | 31.6 | Very low | 34.9 | Very low | 64 Ų | 64 | 128.8 Ų | 128.8 | 66% | 0.66 | 81% | 0.81 | S | S | * | * | trans | -79.5 | 103.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A326 S330 | A326-G328 PolarHBondContact O-N 3.25Å; G328-S330 PolarHBondContact O-N 2.88Å; G328-S330 VanDerWaalsContact O-N 3.17Å | ||
| 329 | H | 38 | Very low | 34.9 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | trans | -71.3 | 104.1 | 171.6 | -69.8 | -106.5 | 0 | 0 | 0 | 110.9 | S327 A331 | S327-H329 PolarHBondContact O-N 3.29Å; H329-A331 PolarHBondContact O-N 3.17Å | ||
| 330 | S | 38.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -75.3 | 83.2 | -179 | -64.5 | 0 | 0 | 0 | 0 | 113.2 | G328 W332 | G328-S330 PolarHBondContact O-N 2.88Å; G328-S330 VanDerWaalsContact O-N 3.17Å; S330-W332 PolarHBondContact O-N 3.34Å | ||
| 331 | A | 37.4 | Very low | 34.4 | Very low | 96 Ų | 96 | 132.7 Ų | 132.7 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -72.5 | 114.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | H329 | H329-A331 PolarHBondContact O-N 3.17Š| ||
| 332 | W | 33.4 | Very low | 34.1 | Very low | 250 Ų | 250 | 131.8 Ų | 131.8 | 95% | 0.947 | 80% | 0.8 | S | S | * | * | trans | -92.4 | 101.8 | -176.2 | 48.6 | -68 | 0 | 0 | 0 | 110.4 | S330 | S330-W332 PolarHBondContact O-N 3.34Š| ||
| 333 | I | 36.6 | Very low | 33.7 | Very low | 176 Ų | 176 | 133.1 Ų | 133.1 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | trans | -110.4 | 146.2 | 174.9 | -162.7 | 166.1 | 0 | 0 | 0 | 110.9 | ||||
| 334 | S | 30.8 | Very low | 33.4 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | -128.2 | 130.4 | -166 | 177.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 335 | K | 30.5 | Very low | 33 | Very low | 195 Ų | 195 | 131.3 Ų | 131.3 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | trans | 172.2 | 160.1 | 155 | -99.9 | 174.9 | 173.7 | -175.5 | 0 | 109.8 | ||||
| 336 | Q | 32 | Very low | 32.7 | Very low | 137 Ų | 137 | 131.9 Ų | 131.9 | 64% | 0.64 | 79% | 0.792 | S | S | * | * | -172 | 129.7 | -50.5 | -130.2 | -174.8 | -13.4 | 0 | 0 | 109.3 | |||||
| 337 | H | 32.5 | Very low | 32.4 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 91% | 0.912 | 79% | 0.786 | S | S | * | * | trans | 61 | 149.8 | 174.7 | -44.7 | -73.8 | 0 | 0 | 0 | 115 | ||||
| 338 | G | 31.6 | Very low | 32.1 | Very low | 68 Ų | 68 | 132.9 Ų | 132.9 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -167.5 | -165.3 | -5.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 339 | V | 31.5 | Very low | 32.1 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | cis | -147.6 | -166.6 | 0.3 | -66.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 340 | S | 30.6 | Very low | 31.8 | Very low | 101 Ų | 101 | 134.1 Ų | 134.1 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -75 | 151.9 | -174.8 | -39.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 341 | L | 31.2 | Very low | 31.6 | Very low | 173 Ų | 173 | 134.5 Ų | 134.5 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | -167 | -177.9 | 97.2 | -119.6 | 106.3 | 0 | 0 | 0 | 112.4 | |||||
| 342 | S | 30 | Very low | 31.2 | Very low | 102 Ų | 102 | 139.2 Ų | 139.2 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -119.8 | 174.9 | -156 | -53.7 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 343 | T | 29.1 | Very low | 31.3 | Very low | 129 Ų | 129 | 131.6 Ų | 131.6 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 99.1 | 76 | 149.3 | -46.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 344 | A | 30.6 | Very low | 31.1 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 69% | 0.686 | 79% | 0.786 | S | S | * | * | 65.5 | 155.1 | 111.1 | 0 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 345 | T | 30.1 | Very low | 31.1 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | 99.8 | 120.6 | 154.4 | 69.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 346 | S | 29.6 | Very low | 31.1 | Very low | 104 Ų | 104 | 133.7 Ų | 133.7 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 90.1 | 136.3 | 136 | -156.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 347 | S | 28.8 | Very low | 31.1 | Very low | 96 Ų | 96 | 132.6 Ų | 132.6 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | trans | 51.6 | 116.1 | 147.5 | 49 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 348 | V | 30 | Very low | 31.1 | Very low | 132 Ų | 132 | 132.4 Ų | 132.4 | 80% | 0.8 | 79% | 0.79 | S | S | * | * | cis | 98.4 | 142.8 | 49.9 | 163.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 349 | V | 32.5 | Very low | 31.1 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | 65.9 | 116.1 | 179.3 | -68.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 350 | D | 31.3 | Very low | 31.1 | Very low | 139 Ų | 139 | 131 Ų | 131 | 74% | 0.743 | 79% | 0.786 | S | S | * | * | 34.6 | 134.1 | 122.9 | -146.5 | -74.5 | 0 | 0 | 0 | 121 | |||||
| 351 | S | 33.2 | Very low | 31.2 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -154.5 | 105.3 | 159.5 | -80.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 352 | K | 30.1 | Very low | 32.1 | Very low | 195 Ų | 195 | 128.5 Ų | 128.5 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | trans | -82.5 | 140.3 | 173.7 | 178.6 | 177.4 | 174.2 | 179.4 | 0 | 112.1 | ||||
| 353 | A | 35.4 | Very low | 32.3 | Very low | 89 Ų | 89 | 127.7 Ų | 127.7 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | trans | -36.7 | 144.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 354 | Q | 31.1 | Very low | 32.3 | Very low | 198 Ų | 198 | 125.4 Ų | 125.4 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | trans | -134.9 | 154.9 | 148.8 | -75.7 | -156.4 | -30.1 | 0 | 0 | 111.2 | ||||
| 355 | V | 30.8 | Very low | 32.5 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -129.4 | 134.4 | -177.2 | 173.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 356 | K | 30.3 | Very low | 32.5 | Very low | 197 Ų | 197 | 134.9 Ų | 134.9 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | trans | -162.5 | 125.5 | 154.5 | -101.1 | 158 | 66.8 | 175.5 | 0 | 106.4 | ||||
| 357 | T | 33.1 | Very low | 32.9 | Very low | 113 Ų | 113 | 135 Ų | 135 | 69% | 0.693 | 80% | 0.804 | S | S | * | * | cis | 92.3 | 128.3 | 37 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 358 | E | 32.3 | Very low | 33 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | trans | 78 | 134.7 | 170.3 | -150.9 | 171.1 | 123.4 | 0 | 0 | 117.2 | ||||
| 359 | G | 32.5 | Very low | 33.4 | Very low | 65 Ų | 65 | 139.2 Ų | 139.2 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | cis | 177.6 | 175 | -7.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 360 | S | 30.3 | Very low | 34 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 56.2 | 121.7 | 157.1 | -58.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 361 | A | 33.1 | Very low | 34 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | -85.5 | -178.6 | 150 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 362 | P | 50.7 | Low | 34.1 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | -155 | 166.9 | 78.8 | 40.8 | -21.7 | 0 | 0 | 0 | 117.9 | |||||
| 363 | G | 32.7 | Very low | 34.4 | Very low | 85 Ų | 85 | 132 Ų | 132 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | 99.5 | 125.3 | 138.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 364 | G | 30.6 | Very low | 34.4 | Very low | 80 Ų | 80 | 135.7 Ų | 135.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 152.2 | 89.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 365 | H | 34 | Very low | 34.7 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | trans | -90.5 | 142.3 | 170.3 | -80.3 | -100.4 | 0 | 0 | 0 | 111.3 | ||||
| 366 | Y | 30.5 | Very low | 34.9 | Very low | 230 Ų | 230 | 131.4 Ų | 131.4 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -152.3 | 164.5 | 140.5 | -132.9 | -93.1 | 0 | 0 | 0 | 110.9 | ||||
| 367 | T | 38.3 | Very low | 35 | Very low | 107 Ų | 107 | 132.4 Ų | 132.4 | 66% | 0.656 | 79% | 0.785 | S | S | * | * | trans | -116.3 | 143.2 | -176.8 | 180 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 368 | D | 31.3 | Very low | 35.3 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | -167.5 | -179.3 | 115.8 | -138.9 | -101.7 | 0 | 0 | 0 | 113.2 | |||||
| 369 | Q | 37.7 | Very low | 35.4 | Very low | 167 Ų | 167 | 129.7 Ų | 129.7 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -118 | -175.2 | -177.2 | -111.2 | -157.5 | 96.6 | 0 | 0 | 110.6 | ||||
| 370 | P | 44.9 | Very low | 35.7 | Very low | 102 Ų | 102 | 134.5 Ų | 134.5 | 66% | 0.662 | 80% | 0.796 | S | S | * | * | -120.3 | 175.8 | -58.2 | 34 | -19.2 | 0 | 0 | 0 | 110.8 | |||||
| 371 | S | 31.8 | Very low | 36.1 | Very low | 121 Ų | 121 | 133.8 Ų | 133.8 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -141.3 | 135.1 | 153.9 | -165.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 372 | T | 33.9 | Very low | 36.4 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 61% | 0.607 | 79% | 0.791 | S | S | * | * | trans | -103 | 133.3 | -173 | 139.4 | 0 | 0 | 0 | 0 | 109.9 | Q374 | T372-Q374 PolarHBondContact OG1-NE2 3.44Š| ||
| 373 | S | 36.6 | Very low | 36.1 | Very low | 116 Ų | 116 | 135.6 Ų | 135.6 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | trans | -141.4 | 90.3 | 166.8 | -73.3 | 0 | 0 | 0 | 0 | 108.8 | I375 | S373-I375 PolarHBondContact O-N 2.96Š| ||
| 374 | Q | 36.1 | Very low | 36.3 | Very low | 167 Ų | 167 | 140.3 Ų | 140.3 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | -65.4 | 125.6 | 177.3 | -49.8 | -70.7 | -32.4 | 0 | 0 | 109 | T372 A376 | T372-Q374 PolarHBondContact OG1-NE2 3.44Å; Q374-A376 PolarHBondContact O-N 3.39Å | ||
| 375 | I | 37.8 | Very low | 36.6 | Very low | 149 Ų | 149 | 147.5 Ų | 147.5 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -79 | 110.6 | 168.5 | -64.1 | 177.5 | 0 | 0 | 0 | 107.6 | S373 Y377 | S373-I375 PolarHBondContact O-N 2.96Å; I375-Y377 PolarHBondContact O-N 3.47Å | ||
| 376 | A | 34 | Very low | 36.6 | Very low | 87 Ų | 87 | 141.6 Ų | 141.6 | 72% | 0.719 | 78% | 0.779 | S | S | * | * | trans | -72.7 | 110.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q374 T378 | Q374-A376 PolarHBondContact O-N 3.39Å; A376-T378 PolarHBondContact O-N 3.28Å | ||
| 377 | Y | 33.8 | Very low | 37 | Very low | 217 Ų | 217 | 135.5 Ų | 135.5 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | trans | -73.5 | 112.7 | 165.4 | -78.4 | -92.4 | 0 | 0 | 0 | 109.4 | I375 S379 | I375-Y377 PolarHBondContact O-N 3.47Å; Y377-S379 PolarHBondContact O-N 3.49Å | ||
| 378 | T | 39.3 | Very low | 36.8 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | -75.1 | 101.7 | 173.4 | 51.8 | 0 | 0 | 0 | 0 | 109.9 | A376 L380 | A376-T378 PolarHBondContact O-N 3.28Å; T378-L380 PolarHBondContact O-N 2.78Å | ||
| 379 | S | 34.5 | Very low | 37.1 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | -68.1 | 116.8 | 174.9 | 46.4 | 0 | 0 | 0 | 0 | 111 | Y377 S381 | Y377-S379 PolarHBondContact O-N 3.49Å; S379-S381 PolarHBondContact O-N 3.48Å | ||
| 380 | L | 37.5 | Very low | 37.4 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | trans | -80.2 | 100.5 | 174.4 | -166.8 | 71.5 | 0 | 0 | 0 | 109.4 | T378 L382 | T378-L380 PolarHBondContact O-N 2.78Å; L380-L382 PolarHBondContact O-N 3.32Å | ||
| 381 | S | 39.5 | Very low | 36.9 | Very low | 107 Ų | 107 | 135.1 Ų | 135.1 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -73.9 | 121.8 | 178.3 | 40 | 0 | 0 | 0 | 0 | 111.4 | S379 P383 | S379-S381 PolarHBondContact O-N 3.48Å; S381-P383 WeakPolarHBondContact O-CD 3.41Å | ||
| 382 | L | 39.3 | Very low | 37.2 | Very low | 149 Ų | 149 | 136.7 Ų | 136.7 | 78% | 0.78 | 78% | 0.781 | S | S | * | * | trans | -90.2 | 113 | 179.4 | -152.9 | 75.3 | 0 | 0 | 0 | 109.8 | L380 H384 | L380-L382 PolarHBondContact O-N 3.32Å; L382-H384 PolarHBondContact O-N 3.21Å | ||
| 383 | P | 43.2 | Very low | 37.2 | Very low | 111 Ų | 111 | 137 Ų | 137 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -69.9 | 131.7 | -176.8 | 28.2 | -34 | 0 | 0 | 0 | 110.9 | S381 | S381-P383 WeakPolarHBondContact O-CD 3.41Š| ||
| 384 | H | 38.5 | Very low | 36.9 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | trans | -70.7 | 133.4 | 170.1 | -62.6 | 15.7 | 0 | 0 | 0 | 109.4 | L382 | L382-H384 PolarHBondContact O-N 3.21Š| ||
| 385 | Y | 35.8 | Very low | 37.1 | Very low | 231 Ų | 231 | 140.1 Ų | 140.1 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -118.3 | 124.3 | 160 | -112 | -90.9 | 0 | 0 | 0 | 109.2 | ||||
| 386 | G | 34.8 | Very low | 36.9 | Very low | 67 Ų | 67 | 140 Ų | 140 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | -88.1 | 169.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 387 | S | 38.6 | Very low | 36.7 | Very low | 101 Ų | 101 | 144 Ų | 144 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -50.5 | 134.6 | 170.4 | 171.1 | 0 | 0 | 0 | 0 | 112.6 | F389 | S387-F389 VanDerWaalsContact OG-CD2 3.32Å; S387-F389 WeakPolarHBondContact OG-CD2 3.32Å | ||
| 388 | A | 34.7 | Very low | 36.5 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -142.4 | 76.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 389 | F | 36.3 | Very low | 36.1 | Very low | 191 Ų | 191 | 143.1 Ų | 143.1 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 126.5 | 170.4 | -71.6 | -82.3 | 0 | 0 | 0 | 111 | S387 | S387-F389 VanDerWaalsContact OG-CD2 3.32Å; S387-F389 WeakPolarHBondContact OG-CD2 3.32Å |
| 390 | P | 43.3 | Very low | 36.7 | Very low | 111 Ų | 111 | 142.7 Ų | 142.7 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 119.4 | 161.9 | 30.8 | -30.4 | 0 | 0 | 0 | 109.6 | ||
| 391 | S | 36.2 | Very low | 36.6 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 129.1 | 168.5 | -174.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 392 | I | 36.6 | Very low | 36.6 | Very low | 154 Ų | 154 | 142.8 Ų | 142.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | trans | -122.8 | 132.8 | 174.7 | -69.7 | -177.5 | 0 | 0 | 0 | 109.7 | ||||
| 393 | S | 33.6 | Very low | 36.5 | Very low | 107 Ų | 107 | 144.1 Ų | 144.1 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 138 | -164.8 | -54.6 | 0 | 0 | 0 | 0 | 114.2 | P395 | S393-P395 WeakPolarHBondContact O-CD 3.45Š|
| 394 | R | 31.2 | Very low | 36.8 | Very low | 231 Ų | 231 | 143.3 Ų | 143.3 | 87% | 0.872 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -65 | 125.2 | 169.3 | 174.2 | -175.6 | -171.8 | -156.1 | 7.8 | 112.1 | ||
| 395 | P | 40.8 | Very low | 36.6 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 159.2 | 159.5 | -12.8 | 30.5 | 0 | 0 | 0 | 112 | S393 | S393-P395 WeakPolarHBondContact O-CD 3.45Š|
| 396 | Q | 32.8 | Very low | 36.4 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | trans | -123.6 | 164.1 | -179.6 | -175.6 | -179.7 | -44.7 | 0 | 0 | 108.9 | ||||
| 397 | F | 30.8 | Very low | 37.4 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 75% | 0.75 | 75% | 0.753 | S | S | * | * | trans | 74.1 | 146.9 | -179.6 | -61.5 | -84.3 | 0 | 0 | 0 | 114.8 | ||||
| 398 | D | 28 | Very low | 37.2 | Very low | 140 Ų | 140 | 142.2 Ų | 142.2 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | cis | -147.9 | 176.1 | -6.8 | -148.9 | -164.1 | 0 | 0 | 0 | 112.5 | ||||
| 399 | Y | 32.7 | Very low | 37.2 | Very low | 194 Ų | 194 | 147.4 Ų | 147.4 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -139.6 | 118.7 | 176.3 | -165.8 | -82.6 | 0 | 0 | 0 | 113.3 | D401 | Y399-D401 HydrophobicContact CD1-CB 4.41Å; Y399-D401 HydrophobicContact CE1-CB 4.09Å; Y399-D401 VanDerWaalsContact CE1-N 3.25Å | ||
| 400 | P | 45.9 | Very low | 36.8 | Very low | 105 Ų | 105 | 141.9 Ų | 141.9 | 68% | 0.682 | 75% | 0.751 | S | S | * | * | trans | -124.2 | 124.5 | 135.9 | 33.6 | -23.9 | 0 | 0 | 0 | 109.2 | ||||
| 401 | D | 35.6 | Very low | 36.4 | Very low | 101 Ų | 101 | 145.9 Ų | 145.9 | 54% | 0.54 | 76% | 0.76 | S | S | . | * | 53.6 | 117.1 | 74.9 | -163.3 | 86.8 | 0 | 0 | 0 | 113.8 | Y399 | Y399-D401 HydrophobicContact CD1-CB 4.41Å; Y399-D401 HydrophobicContact CE1-CB 4.09Å; Y399-D401 VanDerWaalsContact CE1-N 3.25Å | |||
| 402 | H | 40.2 | Very low | 36.4 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -179.7 | 128.8 | 132 | -84.4 | -10.3 | 0 | 0 | 0 | 111.4 | ||||
| 403 | Q | 37.1 | Very low | 36.4 | Very low | 176 Ų | 176 | 144 Ų | 144 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -107 | 179.5 | 163.8 | -89.9 | -82.9 | -57.2 | 0 | 0 | 107.9 | ||||
| 404 | P | 48.8 | Very low | 36.6 | Very low | 95 Ų | 95 | 147.8 Ų | 147.8 | 62% | 0.617 | 77% | 0.767 | S | S | * | * | cis | -131.6 | -165.9 | -19.5 | 36.7 | -18.2 | 0 | 0 | 0 | 112.7 | ||||
| 405 | S | 34.7 | Very low | 36.8 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | 72.4 | 155.2 | 157.1 | 77.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 406 | G | 32.4 | Very low | 36.7 | Very low | 68 Ų | 68 | 141.4 Ų | 141.4 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | cis | -166.4 | 171.6 | -1.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 407 | P | 54.1 | Low | 37 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | trans | -88.9 | 157.5 | -171.3 | 35.5 | -35.9 | 0 | 0 | 0 | 113.8 | ||||
| 408 | Y | 35.3 | Very low | 37.4 | Very low | 244 Ų | 244 | 137.6 Ų | 137.6 | 96% | 0.957 | 77% | 0.774 | S | S | * | * | trans | -139.9 | 166.5 | 166.5 | -120.3 | -90.2 | 0 | 0 | 0 | 114.9 | ||||
| 409 | Y | 33.9 | Very low | 37.8 | Very low | 203 Ų | 203 | 141.9 Ų | 141.9 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | trans | -98.4 | 148.5 | -145.9 | -160.4 | -117 | 0 | 0 | 0 | 115.4 | ||||
| 410 | S | 28.4 | Very low | 38.2 | Very low | 75 Ų | 75 | 138.1 Ų | 138.1 | 52% | 0.524 | 78% | 0.784 | S | S | . | * | trans | 11.8 | 136.3 | 147 | -165.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 411 | H | 34.9 | Very low | 37.6 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -135.3 | 135.4 | 140.6 | -83 | -65.9 | 0 | 0 | 0 | 111.8 | ||||
| 412 | S | 35.5 | Very low | 37.7 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | -101.7 | 146.8 | 176 | 53.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 413 | S | 36.9 | Very low | 37.4 | Very low | 128 Ų | 128 | 139 Ų | 139 | 90% | 0.895 | 80% | 0.799 | S | S | * | * | trans | -141.4 | 114.4 | 165.2 | -73.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 414 | Q | 39.5 | Very low | 37.5 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -89.4 | 150 | 163.1 | -65.1 | -176.4 | 20.2 | 0 | 0 | 109.8 | ||||
| 415 | A | 34.9 | Very low | 37.1 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | -145.8 | 146.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 416 | S | 39.1 | Very low | 37 | Very low | 107 Ų | 107 | 140.9 Ų | 140.9 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -132.4 | 143.1 | -156.2 | -53.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 417 | G | 38 | Very low | 38.2 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | trans | 82.7 | 160.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 418 | L | 39.3 | Very low | 37.4 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | cis | -146.9 | 165.7 | 14.9 | -76.1 | 169.5 | 0 | 0 | 0 | 112.8 | ||||
| 419 | Y | 35.6 | Very low | 37.4 | Very low | 230 Ų | 230 | 139.4 Ų | 139.4 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | 79.2 | 141.7 | 165.1 | -104.9 | -92.6 | 0 | 0 | 0 | 120.4 | ||||
| 420 | S | 41.3 | Very low | 37.8 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -155.7 | 125.7 | -178.2 | 175.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 421 | A | 33.1 | Very low | 38.9 | Very low | 78 Ų | 78 | 142.7 Ų | 142.7 | 65% | 0.645 | 80% | 0.804 | S | S | * | * | trans | -169.7 | 148.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 422 | F | 38.5 | Very low | 39 | Very low | 210 Ų | 210 | 140.5 Ų | 140.5 | 92% | 0.921 | 80% | 0.798 | S | S | * | * | cis | -121.2 | 158.6 | 9.1 | -96.8 | -98.4 | 0 | 0 | 0 | 112.6 | ||||
| 423 | S | 34.7 | Very low | 38.9 | Very low | 111 Ų | 111 | 144.6 Ų | 144.6 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | -94.5 | 140.1 | 176.1 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 424 | Y | 39.4 | Very low | 38.9 | Very low | 200 Ų | 200 | 144.5 Ų | 144.5 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | 37 | 120.7 | 126.5 | -152.7 | -87.1 | 0 | 0 | 0 | 119.5 | |||||
| 425 | M | 38.6 | Very low | 38.7 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -131.6 | 139.4 | 152.7 | -91.1 | -68.1 | 110.1 | 0 | 0 | 110.2 | ||||
| 426 | G | 34.4 | Very low | 38.8 | Very low | 50 Ų | 50 | 141.4 Ų | 141.4 | 52% | 0.515 | 78% | 0.775 | S | S | . | * | trans | -109.6 | -174.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 427 | P | 57.4 | Low | 38.7 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | -99.5 | 138.7 | -164.2 | 36.1 | -34.6 | 0 | 0 | 0 | 116.4 | ||||
| 428 | S | 35.9 | Very low | 38.5 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 179.8 | 162.2 | 151.4 | 54.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 429 | Q | 36.6 | Very low | 39.3 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | cis | -146.2 | 169.8 | 23.3 | -72.1 | -74.7 | 2.4 | 0 | 0 | 112.5 | ||||
| 430 | R | 41.8 | Very low | 39.8 | Very low | 233 Ų | 233 | 136.5 Ų | 136.5 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | trans | -114.7 | 174.6 | 154.5 | -90.5 | -170.9 | 179.9 | -170.9 | 2 | 107.8 | ||||
| 431 | P | 50.3 | Low | 40.4 | Very low | 115 Ų | 115 | 136.5 Ų | 136.5 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | cis | -122.2 | -152.9 | 21.6 | 29 | -2.8 | 0 | 0 | 0 | 111.9 | ||||
| 432 | L | 38.3 | Very low | 40.7 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | cis | -133.9 | 167 | 9.9 | -72.6 | 164.1 | 0 | 0 | 0 | 108.7 | ||||
| 433 | Y | 32.7 | Very low | 40.9 | Very low | 191 Ų | 191 | 135.5 Ų | 135.5 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | cis | 99.5 | 108.9 | 16.3 | -174.6 | -91.6 | 0 | 0 | 0 | 117.6 | ||||
| 434 | T | 36.7 | Very low | 41.6 | Very low | 127 Ų | 127 | 135 Ų | 135 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -164.2 | 151.6 | 166.1 | 22.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 435 | A | 35.8 | Very low | 41.4 | Very low | 64 Ų | 64 | 133.2 Ų | 133.2 | 53% | 0.529 | 76% | 0.757 | S | S | . | * | cis | 79.5 | 117.5 | 8.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 436 | I | 37.4 | Very low | 41.2 | Very low | 164 Ų | 164 | 130.4 Ų | 130.4 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | cis | -144.9 | -167 | -8.2 | -24.4 | 171.8 | 0 | 0 | 0 | 106.8 | ||||
| 437 | S | 36.1 | Very low | 41.6 | Very low | 110 Ų | 110 | 136 Ų | 136 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | cis | -153.8 | 175.2 | 20.2 | -70.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 438 | D | 33.6 | Very low | 40.5 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | -98.4 | -176.8 | 172.5 | -142.8 | 20.3 | 0 | 0 | 0 | 110.9 | ||||
| 439 | P | 57.3 | Low | 40.9 | Very low | 95 Ų | 95 | 136.2 Ų | 136.2 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | cis | -140.8 | 149.4 | -3.6 | 41 | -21.8 | 0 | 0 | 0 | 119.1 | ||||
| 440 | T | 45.5 | Very low | 41.4 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 52 | 167.2 | 140.7 | 66.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 441 | P | 55.3 | Low | 41.3 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | cis | -135.8 | 148.5 | -45.4 | 36.2 | -20.3 | 0 | 0 | 0 | 114.7 | ||||
| 442 | S | 37.9 | Very low | 40.9 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -159.6 | 145 | 153.9 | 60.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 443 | V | 43.8 | Very low | 41.1 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -124.6 | 151.1 | -177.4 | 152.3 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 444 | P | 48.5 | Very low | 41.7 | Very low | 100 Ų | 100 | 136.2 Ų | 136.2 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | cis | -142.5 | 172.9 | 36.1 | 22.3 | 5.2 | 0 | 0 | 0 | 119.8 | ||||
| 445 | Q | 35.8 | Very low | 42.7 | Very low | 164 Ų | 164 | 135.6 Ų | 135.6 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | trans | 54.7 | 119 | 141.7 | -71.1 | 172.7 | -20.8 | 0 | 0 | 122.4 | ||||
| 446 | S | 34.2 | Very low | 43.3 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | -149.7 | 139.9 | 106.6 | 55.6 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 447 | H | 42 | Very low | 43.5 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | -111.2 | 148.4 | -171.5 | -80.5 | -94.2 | 0 | 0 | 0 | 113.6 | ||||
| 448 | S | 35.4 | Very low | 44.3 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -63.6 | 145.3 | 171.4 | -38.5 | 0 | 0 | 0 | 0 | 112.4 | T450 | S448-T450 PolarHBondContact O-N 3.46Š| ||
| 449 | P | 44.7 | Very low | 45.2 | Very low | 134 Ų | 134 | 141.3 Ų | 141.3 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -79.9 | 106 | 171.6 | -4.8 | 22.6 | 0 | 0 | 0 | 111.1 | ||||
| 450 | T | 45.7 | Very low | 44.8 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -136.5 | 90 | 171.3 | -50.9 | 0 | 0 | 0 | 0 | 110.3 | S448 | S448-T450 PolarHBondContact O-N 3.46Š| ||
| 451 | H | 40.8 | Very low | 45.1 | Very low | 159 Ų | 159 | 144.2 Ų | 144.2 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | trans | -153 | 116.7 | 174.9 | 170.9 | -86 | 0 | 0 | 0 | 109.8 | ||||
| 452 | W | 40.8 | Very low | 44.6 | Very low | 243 Ų | 243 | 149.2 Ų | 149.2 | 92% | 0.92 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 117.9 | 167.2 | -77.5 | 88 | 0 | 0 | 0 | 108.7 | ||
| 453 | E | 43.4 | Very low | 46 | Very low | 165 Ų | 165 | 152.6 Ų | 152.6 | 77% | 0.771 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127.3 | 178.3 | -170.5 | 177.3 | -179.4 | 0 | 0 | 110.7 | ||
| 454 | Q | 45.2 | Very low | 46.1 | Very low | 166 Ų | 166 | 153.3 Ų | 153.3 | 78% | 0.776 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 140.1 | 173.8 | -65.6 | -169.4 | 5.7 | 0 | 0 | 110.6 | V456 | Q454-V456 PolarHBondContact O-N 3.24Š|
| 455 | P | 57.7 | Low | 45.9 | Very low | 114 Ų | 114 | 156.1 Ų | 156.1 | 74% | 0.74 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 123.5 | 179.8 | 28.3 | -34.1 | 0 | 0 | 0 | 111.5 | Y457 | P455-Y457 PolarHBondContact O-N 3.18Š|
| 456 | V | 48.3 | Very low | 46.5 | Very low | 128 Ų | 128 | 155.7 Ų | 155.7 | 78% | 0.776 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 121.3 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 110.6 | Q454 T458 | Q454-V456 PolarHBondContact O-N 3.24Å; V456-T458 PolarHBondContact O-N 3.35Å |
| 457 | Y | 41.7 | Very low | 47.2 | Very low | 216 Ų | 216 | 157.5 Ų | 157.5 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 119.8 | 168.1 | -90.1 | -94.4 | 0 | 0 | 0 | 110.5 | P455 T459 | P455-Y457 PolarHBondContact O-N 3.18Å; Y457-T459 PolarHBondContact O-N 3.47Å |
| 458 | T | 52.9 | Low | 47.6 | Very low | 121 Ų | 121 | 156.9 Ų | 156.9 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | trans | -83.5 | 105.7 | 174 | 47.6 | 0 | 0 | 0 | 0 | 110.6 | V456 L460 | V456-T458 PolarHBondContact O-N 3.35Å; T458-L460 PolarHBondContact O-N 3.32Å | ||
| 459 | T | 52.2 | Low | 48.4 | Very low | 137 Ų | 137 | 160.6 Ų | 160.6 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | trans | -73.8 | 105.7 | 174.3 | 43 | 0 | 0 | 0 | 0 | 110.6 | Y457 S461 | Y457-T459 PolarHBondContact O-N 3.47Å; T459-S461 PolarHBondContact O-N 3.36Å | ||
| 460 | L | 49.2 | Very low | 48.6 | Very low | 159 Ų | 159 | 162.5 Ų | 162.5 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | trans | -67.7 | 125 | 163.6 | -106.6 | 80.4 | 0 | 0 | 0 | 109.3 | T458 | T458-L460 PolarHBondContact O-N 3.32Š| ||
| 461 | S | 51.6 | Low | 48.9 | Very low | 119 Ų | 119 | 165.2 Ų | 165.2 | 83% | 0.832 | 84% | 0.842 | S | S | * | * | trans | -133.3 | 138.3 | 156.6 | -155.9 | 0 | 0 | 0 | 0 | 108.4 | T459 | T459-S461 PolarHBondContact O-N 3.36Š| ||
| 462 | R | 44.3 | Very low | 49.5 | Very low | 221 Ų | 221 | 165.7 Ų | 165.7 | 83% | 0.834 | 85% | 0.85 | S | S | * | * | trans | -98.3 | 149 | -179.3 | -71.4 | -174.6 | 174.6 | -164.8 | -0.6 | 110.5 | ||||
| 463 | P | 67.1 | Low | 50.3 | Low | 199 Ų | 199 | 158.6 Ų | 158.6 | 100% | 1.292 | 84% | 0.844 | S | S | * | * | trans | -71 | 0 | 152.7 | 35.5 | -34.3 | 0 | 0 | 0 | 111.2 |
Retrieved 463 of 463 residues in 427.2 ms
(Link to these results)