| 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 | 34.5 | Very low | 28.4 | Very low | 246 Ų | 246 | 152.5 Ų | 152.5 | 100% | 1.212 | 82% | 0.819 | S | S | * | * | 0 | 165.5 | 0 | -75.2 | 173.7 | 170.2 | 0 | 0 | 108.5 | |||||
| 2 | H | 28.4 | Very low | 28.5 | Very low | 189 Ų | 189 | 152.9 Ų | 152.9 | 88% | 0.875 | 82% | 0.821 | S | S | * | * | trans | -79.8 | 154.4 | -149.5 | -94.6 | -86.7 | 0 | 0 | 0 | 117.2 | ||||
| 3 | Q | 24.8 | Very low | 28.8 | Very low | 161 Ų | 161 | 151.7 Ų | 151.7 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -65.6 | 150.2 | 157.7 | -61.3 | 169.3 | -48.2 | 0 | 0 | 110.7 | ||||
| 4 | N | 25.6 | Very low | 29 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 67% | 0.674 | 80% | 0.796 | S | S | * | * | trans | 63.6 | 155.7 | 161.5 | -48.8 | -16.6 | 0 | 0 | 0 | 114.7 | ||||
| 5 | H | 26.6 | Very low | 29.3 | Very low | 170 Ų | 170 | 148.5 Ų | 148.5 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | cis | -142.5 | 169.2 | 25.2 | -92.4 | -85.1 | 0 | 0 | 0 | 112.9 | ||||
| 6 | T | 28.7 | Very low | 29.5 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | trans | -68.3 | 154.1 | 161 | 45.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 7 | N | 25.6 | Very low | 29.5 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 84% | 0.84 | 76% | 0.755 | S | S | * | * | trans | 76.2 | 127 | 165 | -59.2 | -12.3 | 0 | 0 | 0 | 118.1 | ||||
| 8 | I | 30.6 | Very low | 29.6 | Very low | 171 Ų | 171 | 148.2 Ų | 148.2 | 88% | 0.877 | 75% | 0.754 | S | S | * | * | trans | -101.2 | 128.5 | 157.8 | -66 | 170.6 | 0 | 0 | 0 | 106.9 | ||||
| 9 | S | 25.2 | Very low | 29.6 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -107.5 | 139.5 | 156.9 | 54.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 10 | S | 30.3 | Very low | 29.6 | Very low | 117 Ų | 117 | 147.9 Ų | 147.9 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -69.1 | 155.6 | 175.4 | 52.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 11 | V | 32.4 | Very low | 29.6 | Very low | 119 Ų | 119 | 147 Ų | 147 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | trans | -89.7 | 146.3 | -178.3 | 173.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 12 | D | 28.9 | Very low | 29.4 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 85% | 0.845 | 72% | 0.723 | S | S | * | * | trans | -154.7 | 166.1 | 135.5 | -120.4 | -33 | 0 | 0 | 0 | 113.3 | ||||
| 13 | H | 32.4 | Very low | 29.5 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 63% | 0.634 | 72% | 0.719 | S | S | * | * | trans | -122.9 | 145.3 | -170.9 | -100.7 | 36.4 | 0 | 0 | 0 | 113.3 | ||||
| 14 | H | 32.2 | Very low | 30 | Very low | 144 Ų | 144 | 139.8 Ų | 139.8 | 67% | 0.667 | 72% | 0.719 | S | S | * | * | trans | -158.8 | -166.8 | 135 | -118.9 | -64.8 | 0 | 0 | 0 | 111.5 | V168 N169 | H14-V168 CarbonylContact C-O 3.16Å; H14-N169 WeakPolarHBondContact O-CB 3.42Å; H14-N169 PolarHBondContact O-ND2 2.95Å | ||
| 15 | Q | 32.6 | Very low | 30.1 | Very low | 111 Ų | 111 | 143 Ų | 143 | 52% | 0.519 | 73% | 0.728 | S | S | . | * | trans | -148.9 | 104.6 | -172.9 | -66.9 | -169.6 | -18.4 | 0 | 0 | 115.9 | V168 N169 T170 | Q15-V168 CarbonylContact C-O 3.2Å; Q15-V168 WeakPolarHBondContact CA-O 3.49Å; Q15-V168 PolarHBondContact N-O 3.25Å; Q15-N169 CarbonylContact C-O 3.54Å; Q15-N169 HydrophobicContact CG-CB 4.26Å; Q15-T170 VanDerWaalsContact CB-OG1 3.3Å; Q15-T170 WeakPolarHBondContact CB-OG1 3.47Å; Q15-T170 HydrophobicContact CG-CG2 4.16Å; Q15-T170 WeakPolarHBondContact CG-OG1 3.4Å; Q15-T170 PolarHBondContact NE2-OG1 3.35Å; Q15-T170 PolarHBondContact OE1-OG1 2.81Å | ||
| 16 | H | 33.4 | Very low | 30.1 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 54% | 0.542 | 73% | 0.726 | S | S | . | * | trans | 177.2 | 161 | 143.7 | -86.6 | -50.7 | 0 | 0 | 0 | 109.3 | V168 N169 | H16-V168 PolarHBondContact N-O 3.28Å; H16-V168 CarbonylContact O-C 3.23Å; H16-V168 VanDerWaalsContact O-C 3.23Å; H16-N169 CarbonylContact C-O 3.49Å; H16-N169 VanDerWaalsContact C-O 3.28Å; H16-N169 WeakPolarHBondContact CA-O 3.34Å; H16-N169 PolarHBondContact N-O 2.85Å; H16-N169 PolarHBondContact O-N 2.93Å | ||
| 17 | R | 29.1 | Very low | 30 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 63% | 0.626 | 73% | 0.726 | S | S | * | * | cis | -176.8 | 130.7 | -22.8 | 168.5 | -169.9 | -70.8 | -145.8 | -8.7 | 110.3 | ||||
| 18 | Q | 31 | Very low | 30.2 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 74% | 0.738 | 72% | 0.716 | S | S | * | * | trans | 59.9 | 151.4 | 162.4 | -67.3 | 164.7 | -3.2 | 0 | 0 | 117.4 | ||||
| 19 | Q | 30.1 | Very low | 30 | Very low | 151 Ų | 151 | 141 Ų | 141 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | cis | -151.9 | 137.1 | -3 | -137.8 | 169 | -6.3 | 0 | 0 | 111.7 | ||||
| 20 | Q | 30.1 | Very low | 30.1 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 65% | 0.645 | 71% | 0.709 | S | S | * | * | trans | 33.3 | 117.5 | 145.8 | -63.5 | -171.5 | -52.5 | 0 | 0 | 120.7 | ||||
| 21 | D | 29.5 | Very low | 30 | Very low | 131 Ų | 131 | 141 Ų | 141 | 70% | 0.701 | 71% | 0.705 | S | S | * | * | 82.4 | 140.4 | 74.2 | -67.1 | -45 | 0 | 0 | 0 | 112.8 | |||||
| 22 | Y | 30.5 | Very low | 29.9 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 78% | 0.776 | 71% | 0.713 | S | S | * | * | cis | -142.3 | 143.1 | 44.7 | -92.5 | -102.1 | 0 | 0 | 0 | 116.1 | ||||
| 23 | T | 30 | Very low | 29.9 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 78% | 0.779 | 71% | 0.71 | S | S | * | * | trans | -138.3 | 142.9 | 132.7 | 57.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 24 | P | 34.1 | Very low | 29.7 | Very low | 118 Ų | 118 | 137.1 Ų | 137.1 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | trans | -101.1 | 126 | 172.5 | 33.8 | -28 | 0 | 0 | 0 | 112.4 | ||||
| 25 | K | 27.9 | Very low | 29.6 | Very low | 194 Ų | 194 | 136.5 Ų | 136.5 | 84% | 0.843 | 72% | 0.723 | S | S | * | * | trans | -118.1 | -176.9 | 163.9 | -92.6 | -171.4 | 177.9 | -179.6 | 0 | 109.2 | ||||
| 26 | L | 28 | Very low | 29.4 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | trans | 99.2 | 123.4 | 166.1 | -52.9 | 171.3 | 0 | 0 | 0 | 112.9 | ||||
| 27 | Q | 26.9 | Very low | 29.2 | Very low | 147 Ų | 147 | 137.2 Ų | 137.2 | 69% | 0.687 | 74% | 0.738 | S | S | * | * | 71.4 | 145.5 | 58.2 | -71.2 | -175.2 | -26.9 | 0 | 0 | 112.4 | |||||
| 28 | H | 27.9 | Very low | 29.1 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 63% | 0.634 | 75% | 0.745 | S | S | * | * | cis | -153.4 | 164.3 | 17.9 | -130.1 | -64.8 | 0 | 0 | 0 | 112.5 | ||||
| 29 | N | 28.2 | Very low | 29.1 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | trans | 73.8 | 134.9 | 150.9 | -67.3 | -18.8 | 0 | 0 | 0 | 122.6 | ||||
| 30 | S | 26.3 | Very low | 29 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | -87.5 | 157.3 | 157.5 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 31 | T | 28.5 | Very low | 28.9 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | 173 | 148.3 | 125 | -67.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 32 | T | 30.6 | Very low | 29 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 88% | 0.883 | 75% | 0.749 | S | S | * | * | trans | 66.3 | 146.7 | 169.3 | 29.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 33 | A | 28.4 | Very low | 29 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 79% | 0.793 | 75% | 0.749 | S | S | * | * | trans | -100 | 163.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 34 | A | 27.7 | Very low | 29.2 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | 103.2 | 135.6 | 141.9 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 35 | V | 30 | Very low | 29.1 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 73.4 | 90.2 | 160.6 | -157.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 36 | N | 28.7 | Very low | 29.4 | Very low | 139 Ų | 139 | 131.1 Ų | 131.1 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | 24.8 | 148.3 | 115.8 | -64.1 | 3.6 | 0 | 0 | 0 | 120.7 | |||||
| 37 | T | 29 | Very low | 29.6 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 64% | 0.638 | 74% | 0.735 | S | S | * | * | cis | -179.4 | 143.1 | -19.9 | 34.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 38 | N | 26.9 | Very low | 29.8 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | 62.3 | 150.4 | 153.5 | -71 | -37.6 | 0 | 0 | 0 | 117.8 | ||||
| 39 | I | 31.2 | Very low | 29.8 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | cis | -154.5 | 153.5 | 33.4 | -137.5 | 145.3 | 0 | 0 | 0 | 113.4 | ||||
| 40 | Q | 28.7 | Very low | 29.9 | Very low | 158 Ų | 158 | 126.6 Ų | 126.6 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -13.9 | 158 | 152.1 | -37.1 | 166.7 | -17.6 | 0 | 0 | 117.7 | ||||
| 41 | S | 28.6 | Very low | 30.2 | Very low | 89 Ų | 89 | 129.7 Ų | 129.7 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | 166.4 | 166.4 | 57.9 | 39.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 42 | R | 30.3 | Very low | 30.2 | Very low | 212 Ų | 212 | 131.2 Ų | 131.2 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | 150.5 | 110.5 | 116.8 | -77.8 | -148 | 171.1 | 180 | -3.9 | 117.1 | |||||
| 43 | T | 30.9 | Very low | 30.1 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | 86.4 | 163.3 | 114 | 66.2 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 44 | S | 34 | Very low | 30.1 | Very low | 95 Ų | 95 | 135.7 Ų | 135.7 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | cis | -162.2 | 141.9 | 26.6 | 57.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 45 | S | 33 | Very low | 30.4 | Very low | 99 Ų | 99 | 138.5 Ų | 138.5 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | 59.7 | 140.9 | 139.2 | 69.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 46 | K | 34.4 | Very low | 30.4 | Very low | 191 Ų | 191 | 139 Ų | 139 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | -172.9 | 175.5 | 59 | -72.1 | 176.5 | -170.8 | 172.2 | 0 | 109.9 | |||||
| 47 | S | 30.6 | Very low | 30.4 | Very low | 95 Ų | 95 | 139.3 Ų | 139.3 | 66% | 0.664 | 75% | 0.749 | S | S | * | * | cis | -178.1 | 159 | -34.4 | 63 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 48 | Q | 31.8 | Very low | 30.9 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 94% | 0.935 | 74% | 0.741 | S | S | * | * | trans | 79.5 | 144.8 | 166.1 | -61.2 | -172.2 | -17.2 | 0 | 0 | 120.3 | ||||
| 49 | G | 29 | Very low | 31.1 | Very low | 81 Ų | 81 | 140.6 Ų | 140.6 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | trans | 146.4 | 142.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 50 | A | 29.3 | Very low | 30.9 | Very low | 98 Ų | 98 | 142 Ų | 142 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -154.8 | 175.3 | -174 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 51 | L | 33.7 | Very low | 30.9 | Very low | 170 Ų | 170 | 142.1 Ų | 142.1 | 89% | 0.89 | 75% | 0.751 | S | S | * | * | trans | 80.6 | 119.1 | -172.6 | -51.5 | 174.9 | 0 | 0 | 0 | 113.1 | ||||
| 52 | H | 27.7 | Very low | 30.8 | Very low | 151 Ų | 151 | 144.4 Ų | 144.4 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 71.6 | 115.8 | 50.4 | -136.4 | 61.8 | 0 | 0 | 0 | 110.7 | |||||
| 53 | Y | 27.5 | Very low | 31.4 | Very low | 174 Ų | 174 | 140.1 Ų | 140.1 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | -160.1 | 149.9 | 57.4 | -123.8 | -71.3 | 0 | 0 | 0 | 113.5 | |||||
| 54 | Q | 30.2 | Very low | 31.4 | Very low | 160 Ų | 160 | 144 Ų | 144 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 57.2 | 150.3 | 152.8 | -92 | 163.3 | 5.3 | 0 | 0 | 120.3 | ||||
| 55 | Q | 32.1 | Very low | 31.1 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | cis | -143.9 | 140.8 | 11.9 | -115.9 | 179 | -12.1 | 0 | 0 | 111.6 | ||||
| 56 | I | 31.9 | Very low | 31 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 72% | 0.723 | 79% | 0.787 | S | S | * | * | trans | 60 | 132.3 | 140.7 | -62.4 | 166.3 | 0 | 0 | 0 | 120 | ||||
| 57 | N | 28.6 | Very low | 30.8 | Very low | 147 Ų | 147 | 144.6 Ų | 144.6 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | cis | -164.9 | -177.1 | -24.5 | -136.1 | 3 | 0 | 0 | 0 | 111.3 | ||||
| 58 | P | 38.4 | Very low | 30.7 | Very low | 74 Ų | 74 | 143.8 Ų | 143.8 | 48% | 0.481 | 80% | 0.795 | S | S | . | * | trans | -97.1 | -172.3 | -138.9 | 45.1 | -29.3 | 0 | 0 | 0 | 113.5 | ||||
| 59 | Y | 30.9 | Very low | 30.4 | Very low | 201 Ų | 201 | 145.8 Ų | 145.8 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | cis | -128.4 | 157.4 | 12.8 | -69.4 | -80 | 0 | 0 | 0 | 109.9 | ||||
| 60 | Q | 28.1 | Very low | 30.7 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | cis | 77 | 123 | 38.8 | -70.2 | -167.9 | -11.1 | 0 | 0 | 116.9 | ||||
| 61 | N | 27.2 | Very low | 30.6 | Very low | 160 Ų | 160 | 149.9 Ų | 149.9 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -160.6 | 119.6 | 145.5 | -129 | -19.6 | 0 | 0 | 0 | 111.1 | ||||
| 62 | T | 27.6 | Very low | 30.5 | Very low | 137 Ų | 137 | 147.2 Ų | 147.2 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -146.9 | 156.7 | 169.2 | 50.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 63 | P | 41.8 | Very low | 30.3 | Very low | 123 Ų | 123 | 145.4 Ų | 145.4 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -111.4 | -179.2 | -137.4 | 41.2 | -37.6 | 0 | 0 | 0 | 116.5 | ||||
| 64 | K | 32.5 | Very low | 30.3 | Very low | 207 Ų | 207 | 142.8 Ų | 142.8 | 90% | 0.9 | 80% | 0.795 | S | S | * | * | trans | -134.4 | 154.2 | 163.6 | -78 | -173.2 | 176.1 | 178.5 | 0 | 111.8 | ||||
| 65 | L | 26.6 | Very low | 30.1 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | trans | -82 | 160.2 | 171.6 | -58.1 | 91.9 | 0 | 0 | 0 | 111.6 | ||||
| 66 | V | 32.1 | Very low | 30 | Very low | 145 Ų | 145 | 139.1 Ų | 139.1 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | -177.1 | 132.7 | 122.4 | 143.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 67 | G | 29 | Very low | 29.9 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | 71.3 | 129.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 68 | G | 27.9 | Very low | 30.1 | Very low | 77 Ų | 77 | 144.3 Ų | 144.3 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 147.7 | 66.6 | 155.1 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 69 | W | 26.3 | Very low | 29.9 | Very low | 243 Ų | 243 | 145.8 Ų | 145.8 | 92% | 0.92 | 83% | 0.825 | S | S | * | * | trans | -134.6 | 138.3 | 163.7 | -88.8 | 53.7 | 0 | 0 | 0 | 109.2 | ||||
| 70 | P | 34.5 | Very low | 29.8 | Very low | 112 Ų | 112 | 143.5 Ų | 143.5 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | -126.9 | 149.8 | 111 | 0.9 | 21.6 | 0 | 0 | 0 | 112.2 | |||||
| 71 | L | 28.6 | Very low | 29.8 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 80% | 0.796 | 82% | 0.822 | S | S | * | * | 57 | 135.2 | 82.3 | -58 | 173.1 | 0 | 0 | 0 | 114.1 | |||||
| 72 | S | 30.8 | Very low | 30.1 | Very low | 115 Ų | 115 | 140.2 Ų | 140.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | cis | -159.5 | 170.8 | 2.2 | 50.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 73 | S | 24.2 | Very low | 30.2 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -100.9 | 144.8 | 175.5 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 74 | S | 26.3 | Very low | 29.8 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | 175.1 | 169.4 | 145.3 | 46.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 75 | A | 26.3 | Very low | 29.6 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 64 | 92.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 76 | V | 30.7 | Very low | 30 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | -137.2 | 130.5 | 112.1 | 178.8 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 77 | N | 29.8 | Very low | 30 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -132 | 144.7 | 159.6 | -117.4 | -25 | 0 | 0 | 0 | 107.3 | ||||
| 78 | R | 32.5 | Very low | 30.1 | Very low | 234 Ų | 234 | 138.2 Ų | 138.2 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -71 | 164.1 | 178.1 | -69.3 | -176.7 | 169.2 | -163.4 | -2.4 | 111.4 | ||||
| 79 | P | 34.9 | Very low | 30.3 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 77% | 0.77 | S | S | * | * | -152.9 | 175.4 | 102.4 | 38.9 | -20.7 | 0 | 0 | 0 | 116.9 | |||||
| 80 | L | 28.8 | Very low | 30.4 | Very low | 154 Ų | 154 | 134.1 Ų | 134.1 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | 72.4 | 147.5 | 163 | -45.8 | -174.6 | 0 | 0 | 0 | 118.1 | ||||
| 81 | L | 27.5 | Very low | 30.3 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | cis | -161.2 | 178.5 | -20.4 | -119.3 | 174 | 0 | 0 | 0 | 111.2 | ||||
| 82 | T | 33 | Very low | 30.3 | Very low | 120 Ų | 120 | 136 Ų | 136 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | 74.1 | 143.1 | 176.4 | 76.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 83 | N | 30.3 | Very low | 30 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | cis | -154.8 | 154.9 | -14 | -123.2 | -3.8 | 0 | 0 | 0 | 112.2 | ||||
| 84 | I | 33.1 | Very low | 30.2 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | 29.1 | 119 | 150.1 | -52.9 | 160.3 | 0 | 0 | 0 | 118.3 | ||||
| 85 | N | 28.7 | Very low | 30.4 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | cis | 95.2 | 149.6 | 16 | -154.2 | 16.6 | 0 | 0 | 0 | 118 | ||||
| 86 | T | 34.3 | Very low | 30.5 | Very low | 104 Ų | 104 | 139.5 Ų | 139.5 | 64% | 0.638 | 75% | 0.745 | S | S | * | * | trans | 77.7 | 146.8 | 178.8 | 75.1 | 0 | 0 | 0 | 0 | 117.4 | L88 | T86-L88 HydrophobicContact CG2-CD1 4.34Š| ||
| 87 | K | 32.2 | Very low | 30.3 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | cis | -97 | 151.3 | -0.7 | -72.2 | -173.1 | 173.8 | -171.5 | 0 | 112.5 | ||||
| 88 | L | 31.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 62% | 0.623 | 73% | 0.731 | S | S | * | * | cis | 72.9 | 141.1 | 47.9 | -92 | 64.7 | 0 | 0 | 0 | 113.4 | T86 | T86-L88 HydrophobicContact CG2-CD1 4.34Š| ||
| 89 | D | 31.5 | Very low | 30.1 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | cis | -116.7 | -106.8 | 21.3 | -69.8 | -81.7 | 0 | 0 | 0 | 117.7 | ||||
| 90 | S | 30 | Very low | 29.9 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | -161 | -174.9 | -152.6 | 68.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 91 | H | 30.6 | Very low | 29.9 | Very low | 157 Ų | 157 | 136.3 Ų | 136.3 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | cis | -153.9 | 173.9 | 7.4 | -129.4 | -60.5 | 0 | 0 | 0 | 113.4 | ||||
| 92 | Q | 29.4 | Very low | 30.2 | Very low | 145 Ų | 145 | 136.1 Ų | 136.1 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | -46 | 135.7 | 163.6 | -83.2 | 155.3 | -38.8 | 0 | 0 | 117.5 | ||||
| 93 | T | 25.1 | Very low | 30.1 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | 86.1 | 148.5 | 76 | 62.6 | 0 | 0 | 0 | 0 | 118 | |||||
| 94 | I | 27.9 | Very low | 30.3 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | 83.8 | 135.2 | 168.9 | -60.1 | 163.1 | 0 | 0 | 0 | 115.5 | ||||
| 95 | A | 31 | Very low | 30.3 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 60% | 0.603 | 74% | 0.739 | S | S | * | * | cis | -168.6 | 160.6 | -20.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 96 | N | 28.1 | Very low | 30.2 | Very low | 161 Ų | 161 | 128.9 Ų | 128.9 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | trans | 69.5 | 161.7 | 149.2 | -64.4 | -2.3 | 0 | 0 | 0 | 123.5 | ||||
| 97 | S | 26.6 | Very low | 30.1 | Very low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | -57.8 | 167.2 | -178.8 | 52.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 98 | D | 26.1 | Very low | 29.8 | Very low | 128 Ų | 128 | 133 Ų | 133 | 68% | 0.684 | 75% | 0.749 | S | S | * | * | cis | -164.5 | 171.6 | 32.9 | -150.1 | 0.9 | 0 | 0 | 0 | 115.6 | ||||
| 99 | Q | 32.3 | Very low | 29.7 | Very low | 149 Ų | 149 | 134.8 Ų | 134.8 | 70% | 0.696 | 76% | 0.757 | S | S | * | * | trans | 59.5 | 106.5 | 151.5 | -78.1 | 170 | 60 | 0 | 0 | 125.2 | ||||
| 100 | F | 29.8 | Very low | 29.7 | Very low | 196 Ų | 196 | 135.3 Ų | 135.3 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | 72.6 | 156.7 | 113.7 | -97.8 | -85.8 | 0 | 0 | 0 | 126.2 | |||||
| 101 | I | 30 | Very low | 29.4 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 76 | 128.2 | 167.5 | -45.5 | -165.5 | 0 | 0 | 0 | 116.1 | ||||
| 102 | T | 33.4 | Very low | 29.2 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | cis | -129.6 | 168.5 | -9 | 18.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 103 | G | 30.3 | Very low | 29 | Very low | 67 Ų | 67 | 142 Ų | 142 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | cis | 143.7 | 147.3 | 14 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 104 | T | 34.6 | Very low | 29 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | cis | -154.8 | 150.6 | 16.2 | 49.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 105 | S | 33.6 | Very low | 28.9 | Very low | 115 Ų | 115 | 141.2 Ų | 141.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 35.5 | 137.9 | 149.5 | 56.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 106 | G | 26.7 | Very low | 28.6 | Very low | 72 Ų | 72 | 145 Ų | 145 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | cis | 102.2 | 140.2 | 47.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 107 | D | 30.7 | Very low | 28.5 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | cis | -148.9 | -172.6 | 28.1 | -137 | -44.3 | 0 | 0 | 0 | 113.8 | ||||
| 108 | R | 26.3 | Very low | 28.5 | Very low | 222 Ų | 222 | 144 Ų | 144 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | -81.2 | 155.2 | -177.4 | -58 | 161 | 170.7 | 155.6 | -4.9 | 114 | ||||
| 109 | I | 30.3 | Very low | 28.6 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -171.7 | 127.2 | 131.6 | -100.2 | 152.8 | 0 | 0 | 0 | 113.6 | ||||
| 110 | I | 29.9 | Very low | 28.5 | Very low | 147 Ų | 147 | 146.9 Ų | 146.9 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 29.6 | 138.7 | 143.3 | -36.9 | 177.7 | 0 | 0 | 0 | 121.5 | ||||
| 111 | N | 24.5 | Very low | 28.5 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -46.9 | 152.7 | 162.1 | -56.5 | -20.6 | 0 | 0 | 0 | 114.1 | ||||
| 112 | Y | 26.5 | Very low | 28.4 | Very low | 205 Ų | 205 | 147 Ų | 147 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | 178.7 | 145.4 | 109.9 | -109.5 | -90 | 0 | 0 | 0 | 112.5 | |||||
| 113 | Y | 26 | Very low | 28.2 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | trans | 7.6 | 128.3 | 157.3 | -86.3 | -104.3 | 0 | 0 | 0 | 122.9 | ||||
| 114 | N | 24.8 | Very low | 28.1 | Very low | 132 Ų | 132 | 146 Ų | 146 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | 64.7 | 149.7 | 129.7 | -89.8 | 11.2 | 0 | 0 | 0 | 124.7 | |||||
| 115 | N | 26.3 | Very low | 27.8 | Very low | 133 Ų | 133 | 147.4 Ų | 147.4 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 75.4 | 101.7 | 151.8 | -66.7 | 2.2 | 0 | 0 | 0 | 119.9 | ||||
| 116 | N | 24 | Very low | 27.6 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 33.7 | 99.4 | 120.5 | -65.5 | -3.9 | 0 | 0 | 0 | 117.8 | |||||
| 117 | S | 26 | Very low | 27.6 | Very low | 103 Ų | 103 | 149.3 Ų | 149.3 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | -178.6 | 143.1 | 105.3 | -78.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 118 | N | 26.6 | Very low | 27.6 | Very low | 143 Ų | 143 | 148.5 Ų | 148.5 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | 161.7 | 104.2 | 134.1 | -87.5 | -50.4 | 0 | 0 | 0 | 112.3 | ||||
| 119 | Y | 28.3 | Very low | 27.7 | Very low | 226 Ų | 226 | 144.2 Ų | 144.2 | 89% | 0.886 | 79% | 0.785 | S | S | * | * | trans | -102.3 | 92.3 | 133.2 | -100.6 | -95.9 | 0 | 0 | 0 | 105.6 | ||||
| 120 | I | 30.2 | Very low | 27.7 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 57% | 0.569 | 79% | 0.785 | S | S | * | * | 63.4 | 99.4 | 97.3 | -62.2 | 166 | 0 | 0 | 0 | 111.6 | |||||
| 121 | H | 29.2 | Very low | 27.9 | Very low | 204 Ų | 204 | 141.7 Ų | 141.7 | 94% | 0.944 | 78% | 0.783 | S | S | * | * | trans | -132.5 | 119.5 | 130.8 | -115.9 | -87.9 | 0 | 0 | 0 | 107.9 | ||||
| 122 | N | 27.4 | Very low | 28.1 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -150.3 | 116.4 | -174.5 | -177.6 | 15.6 | 0 | 0 | 0 | 110.2 | ||||
| 123 | A | 29.6 | Very low | 28.5 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -169.5 | 127 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 124 | G | 27.6 | Very low | 28.7 | Very low | 79 Ų | 79 | 138 Ų | 138 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | 166.5 | 34.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 125 | I | 29.2 | Very low | 29.1 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 81% | 0.805 | 80% | 0.799 | S | S | * | * | trans | -106.5 | 123.7 | -179.8 | -55 | 174 | 0 | 0 | 0 | 109.9 | ||||
| 126 | S | 29.1 | Very low | 29.4 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -155.7 | 112.2 | 153.5 | 60.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 127 | S | 28 | Very low | 29.6 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -126 | 133.8 | 166 | 53.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 128 | T | 30.2 | Very low | 29.7 | Very low | 141 Ų | 141 | 140.4 Ų | 140.4 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | trans | -121.8 | 121.6 | 177.1 | 47.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 129 | T | 27.6 | Very low | 29.8 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 81% | 0.813 | S | S | * | * | trans | -116.1 | 134.1 | -178.5 | 43.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 130 | V | 31.3 | Very low | 29.8 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -139.1 | 107.6 | 170.9 | 178.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 131 | T | 33.7 | Very low | 29.7 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 82% | 0.818 | S | S | * | * | trans | 29.2 | 113.1 | 157.6 | 59.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 132 | N | 29.2 | Very low | 29.8 | Very low | 153 Ų | 153 | 133.8 Ų | 133.8 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | 65 | 117.7 | 74.7 | -76.5 | -2.4 | 0 | 0 | 0 | 116.5 | |||||
| 133 | N | 34 | Very low | 30 | Very low | 166 Ų | 166 | 133.1 Ų | 133.1 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | -163.2 | 156.9 | 122.8 | -105.3 | -30.7 | 0 | 0 | 0 | 112.6 | |||||
| 134 | N | 30.5 | Very low | 30 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -93 | 155.3 | -170.4 | -62.7 | -47.8 | 0 | 0 | 0 | 113.8 | ||||
| 135 | T | 34 | Very low | 30.2 | Very low | 144 Ų | 144 | 139.6 Ų | 139.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | -179.2 | 162.6 | 112.8 | 25.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 136 | N | 31.2 | Very low | 30.2 | Very low | 145 Ų | 145 | 137.5 Ų | 137.5 | 78% | 0.775 | 81% | 0.807 | S | S | * | * | trans | -93.7 | 150.5 | -171.5 | -50.8 | -34.6 | 0 | 0 | 0 | 113.2 | ||||
| 137 | N | 29.1 | Very low | 30.7 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | 177.4 | 167.5 | 110.8 | -92.9 | -15.2 | 0 | 0 | 0 | 113.5 | |||||
| 138 | S | 27.9 | Very low | 30.8 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -133.2 | 132 | -168.4 | 58.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 139 | S | 29.5 | Very low | 30.9 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -160 | 143.3 | 158.7 | 47.2 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 140 | G | 28.4 | Very low | 31.1 | Very low | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | cis | 98.3 | 126.4 | 42.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 141 | F | 28.2 | Very low | 31.1 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | cis | -163.5 | 177.5 | 25.1 | -101.8 | -92.7 | 0 | 0 | 0 | 112.4 | ||||
| 142 | M | 30.4 | Very low | 31.1 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 101.7 | 116.7 | 148.5 | -57.9 | -145.3 | 171.6 | 0 | 0 | 122.4 | ||||
| 143 | N | 31.1 | Very low | 31.2 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | 59.3 | 111.3 | 129.9 | -62 | 0.1 | 0 | 0 | 0 | 123.5 | |||||
| 144 | N | 29.6 | Very low | 31 | Very low | 143 Ų | 143 | 135.1 Ų | 135.1 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | 50.1 | 123.9 | 120.5 | -56.8 | 5.2 | 0 | 0 | 0 | 121.5 | |||||
| 145 | N | 33.3 | Very low | 31.5 | Very low | 174 Ų | 174 | 134.1 Ų | 134.1 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | -146.2 | 147 | 124.2 | -112.7 | -23.1 | 0 | 0 | 0 | 110.1 | |||||
| 146 | S | 28.9 | Very low | 31.1 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -159.5 | 137.3 | -175.9 | 56.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 147 | S | 38.6 | Very low | 31 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -154.1 | 109.5 | 165.8 | 52.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 148 | D | 30.6 | Very low | 31.3 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | 64.9 | 132 | 84 | -84.8 | -19.3 | 0 | 0 | 0 | 112.9 | |||||
| 149 | M | 31.9 | Very low | 31.8 | Very low | 156 Ų | 156 | 140.2 Ų | 140.2 | 77% | 0.768 | 78% | 0.781 | S | S | * | * | cis | -91.7 | -173.8 | 3.6 | -80 | -75.9 | 149.2 | 0 | 0 | 111.4 | ||||
| 150 | T | 32.9 | Very low | 31.9 | Very low | 132 Ų | 132 | 146 Ų | 146 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | cis | -147.5 | 175.7 | 26.6 | 55.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 151 | A | 31.1 | Very low | 32 | Very low | 79 Ų | 79 | 148.3 Ų | 148.3 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | trans | -66.2 | 152.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 152 | Q | 33.7 | Very low | 32.2 | Very low | 165 Ų | 165 | 144.5 Ų | 144.5 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | cis | -159.3 | 152.8 | 1.5 | -124.4 | 177.2 | 37.4 | 0 | 0 | 113.5 | ||||
| 153 | N | 30.9 | Very low | 32.1 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 67% | 0.668 | 78% | 0.776 | S | S | * | * | trans | 65.1 | 80.2 | 146.6 | -63 | -23.3 | 0 | 0 | 0 | 122.4 | ||||
| 154 | S | 29.8 | Very low | 32.2 | Very low | 117 Ų | 117 | 142.6 Ų | 142.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | 25.9 | 140 | 117.9 | -54.5 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 155 | P | 40.7 | Very low | 32 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | -95.1 | 149.2 | 175.3 | 37.4 | -34.8 | 0 | 0 | 0 | 115.1 | ||||
| 156 | R | 25.1 | Very low | 31.8 | Very low | 245 Ų | 245 | 145.8 Ų | 145.8 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | 172.8 | 120.7 | 148.1 | -103.6 | 171.1 | -175.4 | -113.5 | 3.3 | 112.1 | ||||
| 157 | R | 29.9 | Very low | 31.8 | Very low | 236 Ų | 236 | 144.7 Ų | 144.7 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | 166.4 | 131.7 | 131.3 | -96 | 174.7 | -177.5 | -154.2 | 1.9 | 113.4 | ||||
| 158 | S | 34.7 | Very low | 31.2 | Very low | 121 Ų | 121 | 143 Ų | 143 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -129.1 | 140.4 | 138.4 | -48 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 159 | P | 38.7 | Very low | 31 | Very low | 98 Ų | 98 | 140.4 Ų | 140.4 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | trans | -152.8 | 139.8 | 133.2 | 34.5 | -17 | 0 | 0 | 0 | 115.6 | ||||
| 160 | R | 31.3 | Very low | 30.8 | Very low | 240 Ų | 240 | 134.7 Ų | 134.7 | 91% | 0.906 | 72% | 0.715 | S | S | * | * | trans | 63.2 | 154.2 | 150.7 | -66.6 | -175.4 | 166.9 | 163.3 | -4.6 | 116.6 | ||||
| 161 | T | 31.2 | Very low | 30.5 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | cis | -159.8 | 162 | -9.5 | 18.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 162 | V | 32.1 | Very low | 30.4 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | cis | -154.1 | 138.1 | 45.7 | 169.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 163 | N | 29.1 | Very low | 30.2 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | trans | 22.4 | 149.5 | 147.1 | -56.9 | 5 | 0 | 0 | 0 | 122.5 | ||||
| 164 | T | 31.6 | Very low | 30.1 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | cis | -166.6 | 149.7 | -6.5 | 19.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 165 | N | 26.2 | Very low | 30.1 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -78.4 | 150.6 | 155.1 | -64 | -20.4 | 0 | 0 | 0 | 110.5 | ||||
| 166 | Y | 30 | Very low | 29.7 | Very low | 232 Ų | 232 | 136.8 Ų | 136.8 | 91% | 0.91 | 73% | 0.726 | S | S | * | * | trans | -167.5 | 167.6 | 140 | -101.6 | -62.5 | 0 | 0 | 0 | 110.4 | ||||
| 167 | S | 27.3 | Very low | 29.8 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | trans | -154 | 173.6 | -167.8 | 48.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 168 | V | 26.6 | Very low | 29.7 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 43% | 0.43 | 71% | 0.711 | S | S | . | * | trans | 89.3 | 108.4 | 160 | -162.6 | 0 | 0 | 0 | 0 | 118.1 | H14 Q15 H16 | H14-V168 CarbonylContact C-O 3.16Å; Q15-V168 CarbonylContact C-O 3.2Å; Q15-V168 WeakPolarHBondContact CA-O 3.49Å; Q15-V168 PolarHBondContact N-O 3.25Å; H16-V168 PolarHBondContact N-O 3.28Å; H16-V168 CarbonylContact O-C 3.23Å; H16-V168 VanDerWaalsContact O-C 3.23Å | ||
| 169 | N | 26.1 | Very low | 30 | Very low | 82 Ų | 82 | 129 Ų | 129 | 44% | 0.439 | 70% | 0.702 | S | S | . | * | trans | 90.5 | 159.4 | 138.9 | -141 | 1.5 | 0 | 0 | 0 | 125.5 | H14 Q15 H16 | H14-N169 WeakPolarHBondContact O-CB 3.42Å; H14-N169 PolarHBondContact O-ND2 2.95Å; Q15-N169 CarbonylContact C-O 3.54Å; Q15-N169 HydrophobicContact CG-CB 4.26Å; H16-N169 CarbonylContact C-O 3.49Å; H16-N169 VanDerWaalsContact C-O 3.28Å; H16-N169 WeakPolarHBondContact CA-O 3.34Å; H16-N169 PolarHBondContact N-O 2.85Å; H16-N169 PolarHBondContact O-N 2.93Å | ||
| 170 | T | 28.8 | Very low | 29.5 | Very low | 36 Ų | 36 | 131 Ų | 131 | 22% | 0.221 | 71% | 0.706 | C | S | . | * | trans | 47.4 | 118.9 | 163.2 | 61.8 | 0 | 0 | 0 | 0 | 125.2 | Q15 | Q15-T170 VanDerWaalsContact CB-OG1 3.3Å; Q15-T170 WeakPolarHBondContact CB-OG1 3.47Å; Q15-T170 HydrophobicContact CG-CG2 4.16Å; Q15-T170 WeakPolarHBondContact CG-OG1 3.4Å; Q15-T170 PolarHBondContact NE2-OG1 3.35Å; Q15-T170 PolarHBondContact OE1-OG1 2.81Å | ||
| 171 | N | 25.4 | Very low | 29.4 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 81% | 0.807 | 70% | 0.702 | S | S | * | * | 54.5 | 148.3 | 108.3 | -49.9 | -5.6 | 0 | 0 | 0 | 124.5 | |||||
| 172 | A | 29.6 | Very low | 29.1 | Very low | 94 Ų | 94 | 127.7 Ų | 127.7 | 78% | 0.777 | 71% | 0.705 | S | S | * | * | trans | 76 | 138.5 | 160.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 173 | V | 30.3 | Very low | 29 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | cis | -155.6 | 140 | -9.1 | 116.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 174 | E | 27.3 | Very low | 29.2 | Very low | 171 Ų | 171 | 126.1 Ų | 126.1 | 80% | 0.799 | 71% | 0.714 | S | S | * | * | trans | 51.6 | 166.8 | 154.2 | -62 | -174.4 | 116.6 | 0 | 0 | 125.1 | ||||
| 175 | S | 30.6 | Very low | 29.7 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | trans | 76 | 125.7 | 176.2 | 78.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 176 | T | 31.8 | Very low | 30 | Very low | 133 Ų | 133 | 126.6 Ų | 126.6 | 82% | 0.816 | 72% | 0.716 | S | S | * | * | cis | -145.4 | 165.3 | -3.8 | -46.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 177 | Y | 27.9 | Very low | 30.1 | Very low | 207 Ų | 207 | 118.9 Ų | 118.9 | 81% | 0.812 | 71% | 0.708 | S | S | * | * | trans | -46.6 | 136.8 | 177.3 | -90.5 | -123.3 | 0 | 0 | 0 | 114.8 | ||||
| 178 | N | 27.6 | Very low | 30.5 | Very low | 129 Ų | 129 | 118.7 Ų | 118.7 | 69% | 0.69 | 72% | 0.72 | S | S | * | * | 76.7 | 147.8 | 67 | -94.9 | -19 | 0 | 0 | 0 | 114.9 | |||||
| 179 | P | 39.7 | Very low | 30.7 | Very low | 102 Ų | 102 | 118.8 Ų | 118.8 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | cis | -141.3 | -156.8 | -49.1 | 31.7 | -7.9 | 0 | 0 | 0 | 112.8 | ||||
| 180 | I | 29.5 | Very low | 31.2 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | 101.5 | 106.7 | 158.8 | -56.2 | 175.7 | 0 | 0 | 0 | 118.7 | ||||
| 181 | E | 28.1 | Very low | 31.5 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | trans | 46.1 | 119.1 | 138.9 | -56.6 | -178.2 | 137.2 | 0 | 0 | 123.7 | ||||
| 182 | S | 25.3 | Very low | 32 | Very low | 110 Ų | 110 | 124.6 Ų | 124.6 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | 54.7 | 103.1 | 141 | 63.8 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 183 | C | 30.2 | Very low | 32.1 | Very low | 135 Ų | 135 | 124.6 Ų | 124.6 | 91% | 0.912 | 77% | 0.77 | S | S | * | * | -171 | 148.6 | 120.2 | -104.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 184 | A | 33.7 | Very low | 32.1 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -109.5 | 177.4 | 159.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 185 | P | 40.8 | Very low | 32 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | cis | -142.8 | -149.8 | 13.3 | 34.9 | -8.9 | 0 | 0 | 0 | 114.2 | ||||
| 186 | I | 33.5 | Very low | 32 | Very low | 166 Ų | 166 | 122.7 Ų | 122.7 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | 85.5 | 127.9 | 166.2 | -49.5 | 167.2 | 0 | 0 | 0 | 115.2 | ||||
| 187 | G | 32.4 | Very low | 31.7 | Very low | 71 Ų | 71 | 124.7 Ų | 124.7 | 73% | 0.732 | 77% | 0.769 | S | S | * | * | cis | 175.4 | 166.9 | -6.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 188 | G | 34.5 | Very low | 31.7 | Very low | 85 Ų | 85 | 119.8 Ų | 119.8 | 88% | 0.876 | 76% | 0.763 | S | S | * | * | trans | 87.1 | 132.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 189 | G | 32.5 | Very low | 31.7 | Very low | 74 Ų | 74 | 118.5 Ų | 118.5 | 76% | 0.763 | 76% | 0.764 | S | S | * | * | cis | 130.1 | 157.9 | 4.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 190 | V | 36 | Very low | 31.3 | Very low | 136 Ų | 136 | 118.2 Ų | 118.2 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | cis | -158.2 | 141.3 | -1.1 | 171.7 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 191 | Q | 35.8 | Very low | 31.4 | Very low | 172 Ų | 172 | 117.5 Ų | 117.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | cis | -131.6 | -137.7 | 4.9 | -147.8 | 175.5 | -4.3 | 0 | 0 | 107.3 | ||||
| 192 | A | 34.4 | Very low | 31.6 | Very low | 82 Ų | 82 | 116 Ų | 116 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | cis | -166.1 | 168.8 | -13.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 193 | S | 32.3 | Very low | 31.8 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | cis | -178 | 136.7 | -45.2 | 52 | 0 | 0 | 0 | 0 | 110 | ||||
| 194 | V | 29.7 | Very low | 31.8 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 90% | 0.897 | 76% | 0.759 | S | S | * | * | cis | -160.7 | 167 | -28.5 | 105.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 195 | S | 24.7 | Very low | 32.1 | Very low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -141.6 | 173.7 | -178.7 | -168.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 196 | V | 31.2 | Very low | 31.6 | Very low | 118 Ų | 118 | 127.3 Ų | 127.3 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | trans | 57.5 | 124.9 | 165.6 | -96.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 197 | H | 25.5 | Very low | 31.4 | Very low | 176 Ų | 176 | 123.5 Ų | 123.5 | 82% | 0.815 | 76% | 0.756 | S | S | * | * | 51.5 | 167.5 | 124.8 | -77.6 | -119 | 0 | 0 | 0 | 120.4 | |||||
| 198 | C | 28 | Very low | 31.4 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 70% | 0.703 | 76% | 0.76 | S | S | * | * | cis | -153.9 | 175.2 | 7.2 | -140.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 199 | S | 28 | Very low | 31.3 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | -40.3 | 167 | 154 | -65 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 200 | S | 31.6 | Very low | 31.3 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 67% | 0.671 | 76% | 0.755 | S | S | * | * | cis | -174.3 | -173.2 | -8.8 | -92.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 201 | N | 31.3 | Very low | 31.4 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | trans | 90.3 | 113.8 | 160.9 | -59.4 | -12.2 | 0 | 0 | 0 | 117.2 | ||||
| 202 | I | 31.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 127 Ų | 127 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | 86.2 | 129.2 | 75.8 | -74.9 | 165.6 | 0 | 0 | 0 | 111.7 | |||||
| 203 | V | 30.8 | Very low | 31.3 | Very low | 135 Ų | 135 | 129 Ų | 129 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | cis | -152.7 | 169.1 | -5 | 123.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 204 | R | 29.7 | Very low | 31.3 | Very low | 228 Ų | 228 | 130 Ų | 130 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -77.4 | 171.2 | -175.2 | -56 | 176.7 | -179.1 | 166.1 | -1.1 | 115.3 | ||||
| 205 | P | 41 | Very low | 31.6 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | -139.2 | 168.1 | 108.5 | 38 | -26 | 0 | 0 | 0 | 118.1 | |||||
| 206 | F | 30.5 | Very low | 32.1 | Very low | 199 Ų | 199 | 130 Ų | 130 | 87% | 0.873 | 75% | 0.749 | S | S | * | * | trans | -32.1 | 163.1 | 168.6 | -61.9 | -92.4 | 0 | 0 | 0 | 119.6 | ||||
| 207 | S | 29.1 | Very low | 32.3 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | cis | -177.1 | 179.8 | -15.5 | 58 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 208 | T | 31.1 | Very low | 33 | Very low | 134 Ų | 134 | 127 Ų | 127 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | 72.6 | 148.5 | 173.8 | 70.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 209 | S | 32.3 | Very low | 33.5 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | -161.8 | 143.3 | -12 | 46.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 210 | I | 33.4 | Very low | 33.8 | Very low | 157 Ų | 157 | 129.7 Ų | 129.7 | 81% | 0.805 | 76% | 0.755 | S | S | * | * | 18.8 | 136.7 | 129.8 | -67.9 | 168.1 | 0 | 0 | 0 | 117.6 | |||||
| 211 | P | 38.7 | Very low | 33.9 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | cis | -140.6 | -179.2 | 43.7 | 24.1 | 2.4 | 0 | 0 | 0 | 120.2 | ||||
| 212 | S | 32.6 | Very low | 34 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -47.3 | 157.2 | 173.4 | 46 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 213 | T | 33.9 | Very low | 34.2 | Very low | 123 Ų | 123 | 130 Ų | 130 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | cis | -156.2 | -131 | -4.7 | 24.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 214 | T | 33.7 | Very low | 34.4 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 70% | 0.699 | 76% | 0.759 | S | S | * | * | cis | -169.5 | 152.7 | 2.5 | -17.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 215 | T | 36.5 | Very low | 34.8 | Very low | 127 Ų | 127 | 125.1 Ų | 125.1 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | trans | 41.6 | 142.4 | 148.6 | -55.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 216 | T | 34.9 | Very low | 34.5 | Very low | 122 Ų | 122 | 125.1 Ų | 125.1 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | cis | 176.1 | 134.2 | -33.7 | -83.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 217 | T | 34.8 | Very low | 34.9 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 92% | 0.92 | 74% | 0.74 | S | S | * | * | trans | -155.9 | 163.1 | 166.7 | 11.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 218 | A | 39.3 | Very low | 35.4 | Very low | 83 Ų | 83 | 122.4 Ų | 122.4 | 69% | 0.686 | 75% | 0.75 | S | S | * | * | trans | -164.2 | 169.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 219 | T | 38.5 | Very low | 35.6 | Very low | 126 Ų | 126 | 123.1 Ų | 123.1 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | cis | -177.7 | 177.8 | -12.9 | 33.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 220 | I | 35.7 | Very low | 35.8 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | cis | -161.4 | 167.6 | 1.7 | -128.6 | 163.8 | 0 | 0 | 0 | 106.8 | ||||
| 221 | F | 32.9 | Very low | 35.8 | Very low | 206 Ų | 206 | 126.4 Ų | 126.4 | 90% | 0.904 | 75% | 0.75 | S | S | * | * | trans | -155.6 | 152.5 | 150.3 | -124.9 | -80.4 | 0 | 0 | 0 | 115.5 | ||||
| 222 | S | 33 | Very low | 35.5 | Very low | 101 Ų | 101 | 129.4 Ų | 129.4 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -155.2 | 174.7 | -166.1 | -49 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 223 | G | 35.7 | Very low | 35.6 | Very low | 65 Ų | 65 | 131.4 Ų | 131.4 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | trans | 138.7 | 164.8 | 151.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 224 | N | 36.2 | Very low | 35.3 | Very low | 132 Ų | 132 | 134.7 Ų | 134.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | cis | -152.2 | -179.1 | -18.9 | -103.4 | 36.3 | 0 | 0 | 0 | 106.6 | D226 | N224-D226 PolarHBondContact ND2-OD2 3.49Š| ||
| 225 | V | 38.3 | Very low | 35.1 | Very low | 129 Ų | 129 | 135.2 Ų | 135.2 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | -168.4 | 119.1 | 57.6 | 171.5 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 226 | D | 34.7 | Very low | 35.2 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 63% | 0.626 | 76% | 0.763 | S | S | * | * | 71 | 140.8 | 76.1 | -66.8 | -60 | 0 | 0 | 0 | 116.1 | N224 | N224-D226 PolarHBondContact ND2-OD2 3.49Š| |||
| 227 | S | 38.8 | Very low | 34.9 | Very low | 98 Ų | 98 | 133.9 Ų | 133.9 | 69% | 0.685 | 77% | 0.765 | S | S | * | * | cis | -167.7 | -129.9 | -15.3 | 62.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 228 | T | 38.6 | Very low | 34.5 | Very low | 131 Ų | 131 | 137.6 Ų | 137.6 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 84.5 | 178.9 | 172.6 | 79.7 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 229 | L | 35.1 | Very low | 34 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -162.7 | 165.8 | -137.6 | -84.5 | 164.7 | 0 | 0 | 0 | 116.6 | ||||
| 230 | K | 37.6 | Very low | 33.5 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 84% | 0.835 | 76% | 0.76 | S | S | * | * | trans | 111.7 | 125.2 | 158.1 | -60.4 | 170.4 | -171.8 | 177.1 | 0 | 115.2 | ||||
| 231 | N | 32.4 | Very low | 33.3 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 73% | 0.733 | 76% | 0.761 | S | S | * | * | cis | 95.9 | 142.5 | 26.3 | -74.8 | -33.2 | 0 | 0 | 0 | 115.4 | ||||
| 232 | K | 32.3 | Very low | 33 | Very low | 178 Ų | 178 | 142.5 Ų | 142.5 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | cis | 179 | 116.2 | -18.7 | 178.6 | 177.7 | -174.7 | 178.7 | 0 | 111.1 | ||||
| 233 | T | 34.5 | Very low | 32.8 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | trans | -162.5 | 173.9 | 166.1 | 7.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 234 | F | 27.4 | Very low | 32.6 | Very low | 193 Ų | 193 | 145.6 Ų | 145.6 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | -124.7 | 162.4 | -173.7 | -84.3 | -174.1 | 0 | 0 | 0 | 109.4 | ||||
| 235 | V | 29.4 | Very low | 32.3 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | cis | -168.7 | -177.6 | -4 | -92.2 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 236 | P | 39 | Very low | 31.9 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | cis | -132.2 | -179.3 | -1.9 | 42.1 | -25.4 | 0 | 0 | 0 | 116.7 | ||||
| 237 | S | 29.2 | Very low | 31.6 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 90.5 | 140 | 151.6 | 82 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 238 | R | 26.6 | Very low | 31.3 | Very low | 227 Ų | 227 | 148.6 Ų | 148.6 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | 60.3 | 111.7 | 165.7 | -74.9 | -170.8 | 173 | -167.8 | -0.9 | 122.1 | ||||
| 239 | I | 28.3 | Very low | 30.8 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 70% | 0.697 | 78% | 0.779 | S | S | * | * | 88.4 | 140.3 | 127.2 | -66.1 | 171.1 | 0 | 0 | 0 | 120.3 | |||||
| 240 | N | 28.8 | Very low | 30.4 | Very low | 136 Ų | 136 | 148.2 Ų | 148.2 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 83.6 | 130.7 | 163.5 | -80.3 | -4.3 | 0 | 0 | 0 | 123.2 | ||||
| 241 | N | 30.6 | Very low | 30 | Very low | 134 Ų | 134 | 145.6 Ų | 145.6 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | trans | 42.3 | 124.1 | 152.5 | -57.3 | -18 | 0 | 0 | 0 | 120.3 | ||||
| 242 | R | 25.8 | Very low | 29.8 | Very low | 247 Ų | 247 | 143.4 Ų | 143.4 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | 62.5 | 103.8 | 53 | -77.2 | -168.1 | 166.8 | -174.4 | -2.1 | 115.1 | |||||
| 243 | S | 29.9 | Very low | 29.8 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | trans | -148.2 | -175.9 | 153.4 | 63.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 244 | S | 30.6 | Very low | 29.5 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | -139.2 | 146.4 | -156.2 | 54.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 245 | V | 30.8 | Very low | 29.6 | Very low | 138 Ų | 138 | 139.7 Ų | 139.7 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | 65.1 | 133.3 | 152 | 170.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 246 | S | 30.1 | Very low | 29.8 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | cis | -172.4 | 158.8 | -11.5 | 52.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 247 | N | 28.7 | Very low | 29.5 | Very low | 153 Ų | 153 | 144 Ų | 144 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -169.7 | 167.1 | 144.4 | -105.9 | -29.4 | 0 | 0 | 0 | 116.5 | ||||
| 248 | H | 31.5 | Very low | 29.7 | Very low | 155 Ų | 155 | 145 Ų | 145 | 72% | 0.718 | 77% | 0.768 | S | S | * | * | trans | -57.4 | 179.6 | 177 | -71.4 | -98.9 | 0 | 0 | 0 | 116.2 | ||||
| 249 | Q | 28.1 | Very low | 29.8 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 68% | 0.682 | 77% | 0.765 | S | S | * | * | cis | 166.1 | 139.3 | -30.1 | -173.5 | -172.1 | -5.3 | 0 | 0 | 107.8 | ||||
| 250 | T | 26.7 | Very low | 30 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | trans | 62.4 | 171.4 | 171.5 | 20.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 251 | V | 29.7 | Very low | 29.9 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | cis | -134.3 | 163.1 | 11.6 | -175.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 252 | A | 28.9 | Very low | 30 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | -110.5 | 163.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 253 | I | 31.9 | Very low | 30.2 | Very low | 174 Ų | 174 | 137.7 Ų | 137.7 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | trans | -126.5 | 142.6 | 176.9 | -68.2 | -180 | 0 | 0 | 0 | 111.1 | ||||
| 254 | S | 27.1 | Very low | 30.6 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | trans | -105.8 | 162.2 | 175.3 | -164 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 255 | Q | 29.3 | Very low | 31.3 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | -173.2 | 163.6 | 52.9 | -63.4 | 172 | -13.8 | 0 | 0 | 109.7 | |||||
| 256 | K | 34.1 | Very low | 31.7 | Very low | 174 Ų | 174 | 136.4 Ų | 136.4 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | 165.9 | 126.7 | 116.6 | -92.4 | -175.5 | 163.3 | -177.1 | 0 | 116.7 | |||||
| 257 | H | 33.2 | Very low | 32.3 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 69% | 0.69 | 77% | 0.769 | S | S | * | * | trans | 72.1 | 135.8 | 139.5 | -76.3 | -65.6 | 0 | 0 | 0 | 125.7 | ||||
| 258 | N | 33.3 | Very low | 32.7 | Very low | 134 Ų | 134 | 136 Ų | 136 | 72% | 0.717 | 77% | 0.768 | S | S | * | * | trans | 91.6 | 89.7 | 142 | -65.7 | 0.4 | 0 | 0 | 0 | 122.4 | ||||
| 259 | N | 29.5 | Very low | 32.9 | Very low | 146 Ų | 146 | 136.1 Ų | 136.1 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | 32.3 | 114.2 | 112.8 | -76.3 | 10.2 | 0 | 0 | 0 | 120.6 | |||||
| 260 | I | 32.7 | Very low | 33.3 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 86% | 0.862 | 78% | 0.775 | S | S | * | * | 167 | 152.8 | 112.3 | -89.5 | 154.3 | 0 | 0 | 0 | 110.4 | |||||
| 261 | S | 26.3 | Very low | 33.4 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | trans | -115.2 | 136.6 | 175.5 | 76.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 262 | S | 32.7 | Very low | 33.2 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | -168.8 | 152.2 | 150.3 | 48.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 263 | H | 29.9 | Very low | 33.3 | Very low | 184 Ų | 184 | 138.4 Ų | 138.4 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | -99.7 | 174.6 | 170 | -104.9 | -67.2 | 0 | 0 | 0 | 109.3 | ||||
| 264 | P | 38.1 | Very low | 33.2 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | cis | -129.3 | -129.8 | -9.4 | 40.6 | -18 | 0 | 0 | 0 | 112.9 | ||||
| 265 | P | 45.3 | Very low | 33.3 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | trans | -113.8 | -139.3 | -150.3 | 34.5 | -6.4 | 0 | 0 | 0 | 112.5 | ||||
| 266 | P | 38.7 | Very low | 33.6 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | -145.4 | -139.3 | 52.8 | 46.4 | -22 | 0 | 0 | 0 | 112.4 | |||||
| 267 | P | 42.3 | Very low | 33.5 | Very low | 113 Ų | 113 | 135.4 Ų | 135.4 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | trans | -100.9 | -161.1 | -176 | 47.4 | -43.5 | 0 | 0 | 0 | 112.9 | ||||
| 268 | P | 37.4 | Very low | 33.6 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | cis | -144.1 | -163.7 | 7.8 | 45.4 | -23.5 | 0 | 0 | 0 | 118.3 | ||||
| 269 | L | 35.9 | Very low | 33.5 | Very low | 158 Ų | 158 | 133.4 Ų | 133.4 | 83% | 0.827 | 75% | 0.75 | S | S | * | * | trans | -85.8 | 154.4 | 163.8 | -84.6 | 164.5 | 0 | 0 | 0 | 110.7 | ||||
| 270 | P | 35.7 | Very low | 33.8 | Very low | 108 Ų | 108 | 134.6 Ų | 134.6 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | -156.6 | 163.5 | 64.5 | 44.6 | -24.2 | 0 | 0 | 0 | 120.5 | |||||
| 271 | Q | 28.9 | Very low | 33.8 | Very low | 160 Ų | 160 | 133.8 Ų | 133.8 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 61.2 | 134.3 | 135.6 | -78.7 | -174.9 | -14.9 | 0 | 0 | 125.5 | ||||
| 272 | L | 26.9 | Very low | 34.5 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 65% | 0.654 | 75% | 0.751 | S | S | * | * | trans | 78 | 150.6 | 130.8 | -75.4 | 175.9 | 0 | 0 | 0 | 119.9 | ||||
| 273 | Q | 29.5 | Very low | 34.8 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | cis | -142.1 | 152.6 | 6.4 | -65 | -167.4 | -62.5 | 0 | 0 | 114.2 | ||||
| 274 | H | 29.9 | Very low | 35.2 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 63% | 0.625 | 75% | 0.75 | S | S | * | * | 53 | 159.3 | 128.2 | -68.4 | -128.3 | 0 | 0 | 0 | 121.3 | |||||
| 275 | E | 30.4 | Very low | 35.1 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | cis | -156 | -177 | 5.2 | -126.9 | 163.8 | -142.8 | 0 | 0 | 109.1 | ||||
| 276 | K | 34 | Very low | 34.8 | Very low | 153 Ų | 153 | 138.4 Ų | 138.4 | 67% | 0.665 | 76% | 0.757 | S | S | * | * | cis | -165.2 | 138.6 | 22.2 | -143.2 | 178.5 | -176.1 | 79.1 | 0 | 113.2 | ||||
| 277 | T | 31.9 | Very low | 35.3 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | trans | 52.3 | 157.1 | 145.7 | 51.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 278 | A | 35.6 | Very low | 35.6 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | cis | -146.4 | 176.2 | 14.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 279 | D | 30.9 | Very low | 36.9 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | -71 | 163.3 | -178 | -51.5 | -94.3 | 0 | 0 | 0 | 116.4 | ||||
| 280 | L | 36.5 | Very low | 38.8 | Very low | 170 Ų | 170 | 139.6 Ų | 139.6 | 89% | 0.89 | 74% | 0.74 | S | S | * | * | -160.5 | 149.5 | 116.4 | -106.1 | 173 | 0 | 0 | 0 | 113.1 | |||||
| 281 | M | 33.8 | Very low | 40.8 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | trans | -84.7 | 151.3 | -166 | -55.6 | 139.2 | 53.1 | 0 | 0 | 114.8 | ||||
| 282 | L | 40.3 | Very low | 43.3 | Very low | 153 Ų | 153 | 137 Ų | 137 | 80% | 0.801 | 73% | 0.731 | S | S | * | * | 172.7 | 160.2 | 106.4 | -91.7 | 169.2 | 0 | 0 | 0 | 113.1 | |||||
| 283 | D | 38.1 | Very low | 46.1 | Very low | 146 Ų | 146 | 135.8 Ų | 135.8 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | -86.7 | 158 | -170.7 | -47 | -98.4 | 0 | 0 | 0 | 115.5 | ||||
| 284 | D | 38.3 | Very low | 48.7 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 88% | 0.877 | 71% | 0.711 | S | S | * | * | -159.3 | 162.8 | 115.5 | -147.3 | -18.5 | 0 | 0 | 0 | 111.5 | |||||
| 285 | Q | 36.1 | Very low | 51.4 | Low | 181 Ų | 181 | 135.1 Ų | 135.1 | 85% | 0.846 | 71% | 0.714 | S | S | * | * | trans | -116.1 | 126.4 | -173.5 | -69.4 | -172.8 | -7.2 | 0 | 0 | 114.5 | ||||
| 286 | A | 39.3 | Very low | 54.3 | Low | 95 Ų | 95 | 131.3 Ų | 131.3 | 79% | 0.785 | 70% | 0.703 | S | S | * | * | trans | -155 | 110.8 | 162 | 0 | 0 | 0 | 0 | 0 | 113.9 | E288 | A286-E288 PolarHBondContact O-N 3.22Š| ||
| 287 | N | 50 | Low | 57 | Low | 172 Ų | 172 | 127 Ų | 127 | 92% | 0.92 | 69% | 0.686 | S | S | * | * | trans | 47.8 | 49.8 | 161.5 | -78 | -0.7 | 0 | 0 | 0 | 118.3 | M289 | N287-M289 PolarHBondContact O-N 3.1Š| ||
| 288 | E | 47.4 | Very low | 59.7 | Low | 190 Ų | 190 | 123 Ų | 123 | 89% | 0.888 | 67% | 0.666 | S | S | * | * | trans | -70.2 | 101.8 | 161.1 | -70.4 | -153.4 | 141.3 | 0 | 0 | 111 | A286 T290 | A286-E288 PolarHBondContact O-N 3.22Å; E288-T290 PolarHBondContact O-N 3.49Å | ||
| 289 | M | 65.3 | Low | 62.5 | Low | 96 Ų | 96 | 122.4 Ų | 122.4 | 47% | 0.473 | 65% | 0.648 | S | S | . | * | trans | -55.3 | 125.1 | 166.1 | -179.2 | -173.8 | -59.8 | 0 | 0 | 109.1 | N287 E293 L294 I297 | N287-M289 PolarHBondContact O-N 3.1Å; M289-E293 HydrophobicContact CG-CB 3.77Å; M289-E293 HydrophobicContact SD-CB 4.37Å; M289-L294 HydrophobicContact CB-CG 4.49Å; M289-L294 HydrophobicContact CG-CD2 4.43Å; M289-L294 HydrophobicContact CG-CG 4.13Å; M289-L294 HydrophobicContact SD-CD2 3.57Å; M289-L294 VanDerWaalsContact SD-CD2 3.57Å; M289-L294 HydrophobicContact SD-CG 3.85Å; M289-I297 HydrophobicContact CE-CD1 4.15Å; M289-I297 HydrophobicContact SD-CD1 3.52Å; M289-I297 VanDerWaalsContact SD-CD1 3.52Å | ||
| 290 | T | 77 | Confident | 65.5 | Low | 75 Ų | 75 | 122.1 Ų | 122.1 | 46% | 0.46 | 64% | 0.635 | S | S | . | * | trans | -64.2 | 148.6 | -168.2 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | E288 S292 E293 L294 | E288-T290 PolarHBondContact O-N 3.49Å; T290-S292 PolarHBondContact O-N 3.14Å; T290-E293 PolarHBondContact N-OE2 3.4Å; T290-E293 WeakPolarHBondContact O-CA 3.29Å; T290-E293 WeakPolarHBondContact O-CB 2.98Å; T290-E293 PolarHBondContact O-N 3.24Å; T290-E293 WeakPolarHBondContact OG1-CG 3.36Å; T290-E293 PolarHBondContact OG1-OE2 3.38Å; T290-L294 PolarHBondContact O-N 2.81Å | ||
| 291 | I | 77.4 | Confident | 68.2 | Low | 121 Ų | 121 | 119.4 Ų | 119.4 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -54.2 | -30 | 179.5 | -61.8 | 172.4 | 0 | 0 | 0 | 111.5 | R295 | I291-R295 WeakPolarHBondContact O-CB 3.48Å; I291-R295 WeakPolarHBondContact O-CD 3.26Å; I291-R295 WeakPolarHBondContact O-CG 3.41Å; I291-R295 PolarHBondContact O-N 2.91Å; I291-R295 VanDerWaalsContact O-N 3.08Å |
| 292 | S | 81.7 | Confident | 71 | Confident | 91 Ų | 91 | 120.3 Ų | 120.3 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -67.3 | -41.1 | 173.3 | -60.3 | 0 | 0 | 0 | 0 | 113.5 | T290 R295 S296 | T290-S292 PolarHBondContact O-N 3.14Å; S292-R295 PolarHBondContact O-N 3.05Å; S292-S296 WeakPolarHBondContact O-CB 3.25Å; S292-S296 PolarHBondContact O-N 3.02Å |
| 293 | E | 84.1 | Confident | 73.6 | Confident | 100 Ų | 100 | 117.3 Ų | 117.3 | 47% | 0.467 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -70.8 | -42.6 | 176.8 | -71.1 | 168.6 | 118.9 | 0 | 0 | 111.7 | M289 T290 R295 S296 I297 | M289-E293 HydrophobicContact CG-CB 3.77Å; M289-E293 HydrophobicContact SD-CB 4.37Å; T290-E293 PolarHBondContact N-OE2 3.4Å; T290-E293 WeakPolarHBondContact O-CA 3.29Å; T290-E293 WeakPolarHBondContact O-CB 2.98Å; T290-E293 PolarHBondContact O-N 3.24Å; T290-E293 WeakPolarHBondContact OG1-CG 3.36Å; T290-E293 PolarHBondContact OG1-OE2 3.38Å; E293-R295 VanDerWaalsContact C-N 3.3Å; E293-R295 PolarHBondContact O-N 3.05Å; E293-S296 CarbonylContact O-C 3.59Å; E293-S296 WeakPolarHBondContact O-CA 3.3Å; E293-S296 WeakPolarHBondContact O-CB 3.42Å; E293-S296 PolarHBondContact O-N 3.47Å; E293-I297 WeakPolarHBondContact O-CG1 3.36Å; E293-I297 PolarHBondContact O-N 2.72Å |
| 294 | L | 84 | Confident | 76.3 | Confident | 96 Ų | 96 | 115.9 Ų | 115.9 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -57.9 | -42.8 | 172.8 | -75.1 | 169 | 0 | 0 | 0 | 111.4 | M289 T290 I297 A298 | M289-L294 HydrophobicContact CB-CG 4.49Å; M289-L294 HydrophobicContact CG-CD2 4.43Å; M289-L294 HydrophobicContact CG-CG 4.13Å; M289-L294 HydrophobicContact SD-CD2 3.57Å; M289-L294 VanDerWaalsContact SD-CD2 3.57Å; M289-L294 HydrophobicContact SD-CG 3.85Å; T290-L294 PolarHBondContact O-N 2.81Å; L294-I297 PolarHBondContact O-N 2.85Å; L294-A298 WeakPolarHBondContact O-CB 3.46Å; L294-A298 PolarHBondContact O-N 2.95Å |
| 295 | R | 88 | Confident | 78.9 | Confident | 182 Ų | 182 | 113.3 Ų | 113.3 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.3 | -42.3 | 171.9 | -74.3 | 171 | -175.9 | -167.7 | 3.1 | 112.2 | I291 S292 E293 I297 A298 E299 | I291-R295 WeakPolarHBondContact O-CB 3.48Å; I291-R295 WeakPolarHBondContact O-CD 3.26Å; I291-R295 WeakPolarHBondContact O-CG 3.41Å; I291-R295 PolarHBondContact O-N 2.91Å; I291-R295 VanDerWaalsContact O-N 3.08Å; S292-R295 PolarHBondContact O-N 3.05Å; E293-R295 VanDerWaalsContact C-N 3.3Å; E293-R295 PolarHBondContact O-N 3.05Å; R295-I297 PolarHBondContact O-N 2.87Å; R295-A298 PolarHBondContact O-N 3.48Å; R295-E299 VanDerWaalsContact O-CB 3.23Å; R295-E299 WeakPolarHBondContact O-CB 3.34Å; R295-E299 PolarHBondContact O-N 3.44Å |
| 296 | S | 90.7 | Very high | 81.6 | Confident | 55 Ų | 55 | 107.1 Ų | 107.1 | 39% | 0.385 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.5 | -34.6 | 176.9 | 175.9 | 0 | 0 | 0 | 0 | 113.4 | S292 E293 R300 | S292-S296 WeakPolarHBondContact O-CB 3.25Å; S292-S296 PolarHBondContact O-N 3.02Å; E293-S296 CarbonylContact O-C 3.59Å; E293-S296 WeakPolarHBondContact O-CA 3.3Å; E293-S296 WeakPolarHBondContact O-CB 3.42Å; E293-S296 PolarHBondContact O-N 3.47Å; S296-R300 WeakPolarHBondContact O-CB 3.47Å; S296-R300 WeakPolarHBondContact O-CG 3.43Å; S296-R300 PolarHBondContact O-N 3Å; S296-R300 VanDerWaalsContact O-N 3.14Å; S296-R300 PolarHBondContact O-NE 2.81Å; S296-R300 PolarHBondContact OG-NE 3.04Å; S296-R300 PolarHBondContact OG-NH2 2.8Å |
| 297 | I | 89.8 | Confident | 84.2 | Confident | 62 Ų | 62 | 109.7 Ų | 109.7 | 32% | 0.318 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.7 | -48.1 | 175.6 | -68.2 | 166.2 | 0 | 0 | 0 | 110.3 | M289 E293 L294 R295 E299 R300 Q301 | M289-I297 HydrophobicContact CE-CD1 4.15Å; M289-I297 HydrophobicContact SD-CD1 3.52Å; M289-I297 VanDerWaalsContact SD-CD1 3.52Å; E293-I297 WeakPolarHBondContact O-CG1 3.36Å; E293-I297 PolarHBondContact O-N 2.72Å; L294-I297 PolarHBondContact O-N 2.85Å; R295-I297 PolarHBondContact O-N 2.87Å; I297-E299 VanDerWaalsContact C-N 3.29Å; I297-E299 PolarHBondContact O-N 2.88Å; I297-R300 PolarHBondContact O-N 2.86Å; I297-Q301 WeakPolarHBondContact O-CG 3.06Å; I297-Q301 PolarHBondContact O-N 3.04Å |
| 298 | A | 90.3 | Very high | 86.3 | Confident | 42 Ų | 42 | 106.2 Ų | 106.2 | 35% | 0.347 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.7 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L294 R295 Q301 R302 | L294-A298 WeakPolarHBondContact O-CB 3.46Å; L294-A298 PolarHBondContact O-N 2.95Å; R295-A298 PolarHBondContact O-N 3.48Å; A298-Q301 PolarHBondContact O-N 2.83Å; A298-R302 WeakPolarHBondContact O-CG 3.46Å; A298-R302 PolarHBondContact O-N 2.68Å |
| 299 | E | 94.1 | Very high | 88.4 | Confident | 80 Ų | 80 | 99.9 Ų | 99.9 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.9 | -39.8 | 177.3 | -173.9 | 49.6 | -142.7 | 0 | 0 | 112.1 | R295 I297 Q301 R302 Q303 | R295-E299 VanDerWaalsContact O-CB 3.23Å; R295-E299 WeakPolarHBondContact O-CB 3.34Å; R295-E299 PolarHBondContact O-N 3.44Å; I297-E299 VanDerWaalsContact C-N 3.29Å; I297-E299 PolarHBondContact O-N 2.88Å; E299-Q301 VanDerWaalsContact C-N 3.33Å; E299-Q301 PolarHBondContact O-N 3.42Å; E299-R302 WeakPolarHBondContact O-CB 3.44Å; E299-R302 PolarHBondContact O-N 2.73Å; E299-R302 IonicContact OE2-NH1 3.44Å; E299-Q303 VanDerWaalsContact O-CG 3.32Å; E299-Q303 WeakPolarHBondContact O-CG 3.43Å; E299-Q303 PolarHBondContact O-N 2.98Å; E299-Q303 PolarHBondContact OE1-NE2 2.85Å |
| 300 | R | 93.8 | Very high | 89.8 | Confident | 142 Ų | 142 | 101.4 Ų | 101.4 | 54% | 0.536 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 170.9 | -80.1 | 178.5 | -77.5 | 176.7 | -4.3 | 112.3 | S296 I297 Q303 Q304 | S296-R300 WeakPolarHBondContact O-CB 3.47Å; S296-R300 WeakPolarHBondContact O-CG 3.43Å; S296-R300 PolarHBondContact O-N 3Å; S296-R300 VanDerWaalsContact O-N 3.14Å; S296-R300 PolarHBondContact O-NE 2.81Å; S296-R300 PolarHBondContact OG-NE 3.04Å; S296-R300 PolarHBondContact OG-NH2 2.8Å; I297-R300 PolarHBondContact O-N 2.86Å; R300-Q303 PolarHBondContact O-N 3.46Å; R300-Q304 PolarHBondContact O-N 2.78Å |
| 301 | Q | 91.9 | Very high | 90.6 | Very high | 114 Ų | 114 | 104 Ų | 104 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -43.9 | 173.9 | -73.6 | 176.6 | -15.8 | 0 | 0 | 112 | I297 A298 E299 Q303 Q304 L305 | I297-Q301 WeakPolarHBondContact O-CG 3.06Å; I297-Q301 PolarHBondContact O-N 3.04Å; A298-Q301 PolarHBondContact O-N 2.83Å; E299-Q301 VanDerWaalsContact C-N 3.33Å; E299-Q301 PolarHBondContact O-N 3.42Å; Q301-Q303 VanDerWaalsContact C-N 3.35Å; Q301-Q303 PolarHBondContact O-N 3.02Å; Q301-Q304 PolarHBondContact O-N 2.81Å; Q301-Q304 VanDerWaalsContact O-N 3.16Å; Q301-L305 WeakPolarHBondContact O-CG 3.19Å; Q301-L305 PolarHBondContact O-N 3.44Å |
| 302 | R | 93.4 | Very high | 91.2 | Very high | 170 Ų | 170 | 103.6 Ų | 103.6 | 64% | 0.642 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.8 | -44.9 | 172.9 | -76 | 171.2 | 171.9 | -177.4 | -3.4 | 112.2 | A298 E299 Q304 L305 A306 | A298-R302 WeakPolarHBondContact O-CG 3.46Å; A298-R302 PolarHBondContact O-N 2.68Å; E299-R302 WeakPolarHBondContact O-CB 3.44Å; E299-R302 PolarHBondContact O-N 2.73Å; E299-R302 IonicContact OE2-NH1 3.44Å; R302-Q304 VanDerWaalsContact C-N 3.28Å; R302-Q304 PolarHBondContact O-N 2.98Å; R302-L305 PolarHBondContact O-N 2.97Å; R302-A306 WeakPolarHBondContact O-CB 3.31Å; R302-A306 PolarHBondContact O-N 2.75Å |
| 303 | Q | 95.4 | Very high | 91.7 | Very high | 90 Ų | 90 | 104.6 Ų | 104.6 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.7 | -24.1 | 177.8 | -68.7 | 172.5 | 16.8 | 0 | 0 | 113.5 | E299 R300 Q301 R307 | E299-Q303 VanDerWaalsContact O-CG 3.32Å; E299-Q303 WeakPolarHBondContact O-CG 3.43Å; E299-Q303 PolarHBondContact O-N 2.98Å; E299-Q303 PolarHBondContact OE1-NE2 2.85Å; R300-Q303 PolarHBondContact O-N 3.46Å; Q301-Q303 VanDerWaalsContact C-N 3.35Å; Q301-Q303 PolarHBondContact O-N 3.02Å; Q303-R307 WeakPolarHBondContact O-CG 3.32Å; Q303-R307 PolarHBondContact O-N 3.05Å; Q303-R307 PolarHBondContact O-NE 2.98Å |
| 304 | Q | 94.3 | Very high | 92 | Very high | 115 Ų | 115 | 102.4 Ų | 102.4 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -76.9 | -45.2 | 171.8 | -176.5 | 171.5 | -11.2 | 0 | 0 | 111.3 | R300 Q301 R302 R307 Q308 | R300-Q304 PolarHBondContact O-N 2.78Å; Q301-Q304 PolarHBondContact O-N 2.81Å; Q301-Q304 VanDerWaalsContact O-N 3.16Å; R302-Q304 VanDerWaalsContact C-N 3.28Å; R302-Q304 PolarHBondContact O-N 2.98Å; Q304-R307 PolarHBondContact O-N 2.57Å; Q304-Q308 PolarHBondContact O-N 3.3Å |
| 305 | L | 92.1 | Very high | 92.2 | Very high | 110 Ų | 110 | 105.9 Ų | 105.9 | 58% | 0.576 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.4 | -41.8 | 175.2 | -69.8 | 168.2 | 0 | 0 | 0 | 111.9 | Q301 R302 R307 Q308 A309 | Q301-L305 WeakPolarHBondContact O-CG 3.19Å; Q301-L305 PolarHBondContact O-N 3.44Å; R302-L305 PolarHBondContact O-N 2.97Å; L305-R307 PolarHBondContact O-N 2.72Å; L305-Q308 PolarHBondContact O-N 3.29Å; L305-A309 WeakPolarHBondContact O-CB 3.46Å; L305-A309 PolarHBondContact O-N 3.29Å |
| 306 | A | 93.9 | Very high | 92.4 | Very high | 51 Ų | 51 | 103.6 Ų | 103.6 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R302 A309 Q310 | R302-A306 WeakPolarHBondContact O-CB 3.31Å; R302-A306 PolarHBondContact O-N 2.75Å; A306-A309 PolarHBondContact O-N 3.06Å; A306-Q310 WeakPolarHBondContact O-CG 3.47Å; A306-Q310 PolarHBondContact O-N 2.84Å |
| 307 | R | 94.7 | Very high | 92.5 | Very high | 150 Ų | 150 | 106.2 Ų | 106.2 | 57% | 0.566 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | 174.7 | -81.5 | 179.1 | -80 | 175.9 | -9.4 | 112.6 | Q303 Q304 L305 Q311 | Q303-R307 WeakPolarHBondContact O-CG 3.32Å; Q303-R307 PolarHBondContact O-N 3.05Å; Q303-R307 PolarHBondContact O-NE 2.98Å; Q304-R307 PolarHBondContact O-N 2.57Å; L305-R307 PolarHBondContact O-N 2.72Å; R307-Q311 WeakPolarHBondContact O-CG 3.42Å; R307-Q311 PolarHBondContact O-N 2.79Å; R307-Q311 VanDerWaalsContact O-N 3.09Å |
| 308 | Q | 92.6 | Very high | 92.5 | Very high | 99 Ų | 99 | 112 Ų | 112 | 46% | 0.463 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 173.4 | -73.9 | -177.1 | -18.5 | 0 | 0 | 112 | Q304 L305 Q310 Q311 L312 | Q304-Q308 PolarHBondContact O-N 3.3Å; L305-Q308 PolarHBondContact O-N 3.29Å; Q308-Q310 PolarHBondContact O-N 3.15Å; Q308-Q311 PolarHBondContact O-N 3.38Å; Q308-L312 WeakPolarHBondContact O-CG 3.46Å; Q308-L312 PolarHBondContact O-N 2.95Å |
| 309 | A | 92.9 | Very high | 92.3 | Very high | 56 Ų | 56 | 118.1 Ų | 118.1 | 46% | 0.463 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L305 A306 Q311 L312 Q313 | L305-A309 WeakPolarHBondContact O-CB 3.46Å; L305-A309 PolarHBondContact O-N 3.29Å; A306-A309 PolarHBondContact O-N 3.06Å; A309-Q311 PolarHBondContact O-N 3.28Å; A309-L312 PolarHBondContact O-N 2.96Å; A309-Q313 WeakPolarHBondContact O-CB 3.38Å; A309-Q313 PolarHBondContact O-N 3.21Å |
| 310 | Q | 94.6 | Very high | 92.1 | Very high | 129 Ų | 129 | 116.8 Ų | 116.8 | 60% | 0.603 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.9 | -41.6 | 174.2 | -74 | 175.3 | -23.2 | 0 | 0 | 112.6 | A306 Q308 L312 Q313 A314 | A306-Q310 WeakPolarHBondContact O-CG 3.47Å; A306-Q310 PolarHBondContact O-N 2.84Å; Q308-Q310 PolarHBondContact O-N 3.15Å; Q310-L312 VanDerWaalsContact C-N 3.35Å; Q310-Q313 PolarHBondContact O-N 2.99Å; Q310-A314 WeakPolarHBondContact O-CB 3.5Å; Q310-A314 PolarHBondContact O-N 3.19Å |
| 311 | Q | 92.2 | Very high | 91.9 | Very high | 130 Ų | 130 | 117.9 Ų | 117.9 | 61% | 0.607 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.1 | -33.6 | 175.6 | -74.4 | -175.5 | -2.4 | 0 | 0 | 113.2 | R307 Q308 A309 R315 | R307-Q311 WeakPolarHBondContact O-CG 3.42Å; R307-Q311 PolarHBondContact O-N 2.79Å; R307-Q311 VanDerWaalsContact O-N 3.09Å; Q308-Q311 PolarHBondContact O-N 3.38Å; A309-Q311 PolarHBondContact O-N 3.28Å; Q311-R315 WeakPolarHBondContact O-CB 3.13Å; Q311-R315 WeakPolarHBondContact O-CG 3.11Å; Q311-R315 PolarHBondContact O-N 2.73Å |
| 312 | L | 90.5 | Very high | 91.6 | Very high | 112 Ų | 112 | 116.9 Ų | 116.9 | 59% | 0.586 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.2 | -45.7 | 174.2 | -72.5 | 170.6 | 0 | 0 | 0 | 111.1 | Q308 A309 Q310 A314 R315 E316 | Q308-L312 WeakPolarHBondContact O-CG 3.46Å; Q308-L312 PolarHBondContact O-N 2.95Å; A309-L312 PolarHBondContact O-N 2.96Å; Q310-L312 VanDerWaalsContact C-N 3.35Å; L312-A314 PolarHBondContact O-N 3.38Å; L312-R315 WeakPolarHBondContact O-CB 3.26Å; L312-R315 PolarHBondContact O-N 2.98Å; L312-R315 VanDerWaalsContact O-N 3.16Å; L312-E316 PolarHBondContact O-N 3.13Å |
| 313 | Q | 93.2 | Very high | 91.3 | Very high | 111 Ų | 111 | 117.3 Ų | 117.3 | 52% | 0.519 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -57.1 | -50.5 | 175.1 | -176.8 | -177.2 | -24 | 0 | 0 | 111.3 | A309 Q310 R315 E316 E317 | A309-Q313 WeakPolarHBondContact O-CB 3.38Å; A309-Q313 PolarHBondContact O-N 3.21Å; Q310-Q313 PolarHBondContact O-N 2.99Å; Q313-R315 VanDerWaalsContact C-N 3.26Å; Q313-R315 PolarHBondContact O-N 2.92Å; Q313-E316 PolarHBondContact O-N 2.76Å; Q313-E317 HydrophobicContact CG-CG 4.39Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.43Å; Q313-E317 PolarHBondContact NE2-OE1 2.93Å; Q313-E317 WeakPolarHBondContact O-CG 3.42Å; Q313-E317 PolarHBondContact O-N 3.36Å |
| 314 | A | 90.5 | Very high | 90.9 | Very high | 54 Ų | 54 | 116.2 Ų | 116.2 | 45% | 0.446 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62 | -31.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q310 L312 R318 | Q310-A314 WeakPolarHBondContact O-CB 3.5Å; Q310-A314 PolarHBondContact O-N 3.19Å; L312-A314 PolarHBondContact O-N 3.38Å; A314-R318 WeakPolarHBondContact O-CB 3.13Å; A314-R318 PolarHBondContact O-N 2.83Å; A314-R318 VanDerWaalsContact O-N 3.13Å |
| 315 | R | 87.8 | Confident | 90.5 | Very high | 169 Ų | 169 | 114.5 Ų | 114.5 | 64% | 0.638 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.3 | -34.7 | 172.5 | -81.8 | 175.1 | 162.3 | 179.3 | -4.4 | 112.5 | Q311 L312 Q313 R319 | Q311-R315 WeakPolarHBondContact O-CB 3.13Å; Q311-R315 WeakPolarHBondContact O-CG 3.11Å; Q311-R315 PolarHBondContact O-N 2.73Å; L312-R315 WeakPolarHBondContact O-CB 3.26Å; L312-R315 PolarHBondContact O-N 2.98Å; L312-R315 VanDerWaalsContact O-N 3.16Å; Q313-R315 VanDerWaalsContact C-N 3.26Å; Q313-R315 PolarHBondContact O-N 2.92Å; R315-R319 WeakPolarHBondContact O-CG 3.2Å; R315-R319 PolarHBondContact O-N 3.24Å; R315-R319 VanDerWaalsContact O-N 3.11Å |
| 316 | E | 92.7 | Very high | 89.8 | Confident | 134 Ų | 134 | 114.1 Ų | 114.1 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -73 | -44.2 | 176.1 | -177.1 | 150.6 | -141.9 | 0 | 0 | 111.7 | L312 Q313 R318 R319 A320 | L312-E316 PolarHBondContact O-N 3.13Å; Q313-E316 PolarHBondContact O-N 2.76Å; E316-R318 VanDerWaalsContact C-N 3.34Å; E316-R318 PolarHBondContact O-N 2.78Å; E316-R319 CarbonylContact O-C 3.55Å; E316-R319 WeakPolarHBondContact O-CA 3.38Å; E316-R319 WeakPolarHBondContact O-CB 3.31Å; E316-R319 PolarHBondContact O-N 3.16Å; E316-A320 WeakPolarHBondContact O-CB 3.48Å; E316-A320 PolarHBondContact O-N 3.3Å |
| 317 | E | 91.4 | Very high | 89.3 | Confident | 111 Ų | 111 | 115.5 Ų | 115.5 | 52% | 0.519 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56.1 | -46.4 | 171.7 | -72.3 | 170.8 | -177.6 | 0 | 0 | 111.3 | Q313 R319 A320 W321 | Q313-E317 HydrophobicContact CG-CG 4.39Å; Q313-E317 WeakPolarHBondContact CG-OE1 3.43Å; Q313-E317 PolarHBondContact NE2-OE1 2.93Å; Q313-E317 WeakPolarHBondContact O-CG 3.42Å; Q313-E317 PolarHBondContact O-N 3.36Å; E317-R319 VanDerWaalsContact C-N 3.32Å; E317-R319 PolarHBondContact O-N 2.85Å; E317-A320 PolarHBondContact O-N 2.87Å; E317-W321 WeakPolarHBondContact O-CB 3.17Å; E317-W321 PolarHBondContact O-N 2.97Å |
| 318 | R | 90.4 | Very high | 88.6 | Confident | 184 Ų | 184 | 114.6 Ų | 114.6 | 69% | 0.694 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.2 | -36.5 | 174.6 | -173.1 | 172.9 | 179 | 174.3 | -0.1 | 112.7 | A314 E316 L322 | A314-R318 WeakPolarHBondContact O-CB 3.13Å; A314-R318 PolarHBondContact O-N 2.83Å; A314-R318 VanDerWaalsContact O-N 3.13Å; E316-R318 VanDerWaalsContact C-N 3.34Å; E316-R318 PolarHBondContact O-N 2.78Å; R318-L322 WeakPolarHBondContact O-CG 3.4Å; R318-L322 PolarHBondContact O-N 2.99Å |
| 319 | R | 87 | Confident | 87.9 | Confident | 170 Ų | 170 | 117.9 Ų | 117.9 | 64% | 0.642 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.8 | -37.8 | 174.5 | -79.5 | 172.6 | 168.8 | 167.3 | -3.9 | 112.2 | R315 E316 E317 L322 R323 | R315-R319 WeakPolarHBondContact O-CG 3.2Å; R315-R319 PolarHBondContact O-N 3.24Å; R315-R319 VanDerWaalsContact O-N 3.11Å; E316-R319 CarbonylContact O-C 3.55Å; E316-R319 WeakPolarHBondContact O-CA 3.38Å; E316-R319 WeakPolarHBondContact O-CB 3.31Å; E316-R319 PolarHBondContact O-N 3.16Å; E317-R319 VanDerWaalsContact C-N 3.32Å; E317-R319 PolarHBondContact O-N 2.85Å; R319-L322 PolarHBondContact O-N 2.89Å; R319-R323 WeakPolarHBondContact O-CB 3.4Å; R319-R323 VanDerWaalsContact O-CG 3.3Å; R319-R323 WeakPolarHBondContact O-CG 3.08Å; R319-R323 PolarHBondContact O-N 3.21Å |
| 320 | A | 88 | Confident | 87.1 | Confident | 52 Ų | 52 | 117.8 Ų | 117.8 | 43% | 0.43 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.2 | -42.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E316 E317 R323 S324 | E316-A320 WeakPolarHBondContact O-CB 3.48Å; E316-A320 PolarHBondContact O-N 3.3Å; E317-A320 PolarHBondContact O-N 2.87Å; A320-R323 PolarHBondContact O-N 3.3Å; A320-S324 WeakPolarHBondContact O-CB 3.22Å; A320-S324 PolarHBondContact O-N 3.04Å |
| 321 | W | 90.3 | Very high | 86.2 | Confident | 164 Ų | 164 | 114.3 Ų | 114.3 | 62% | 0.621 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.5 | -46.8 | 173.6 | -175.2 | 83.1 | 0 | 0 | 0 | 112.2 | E317 R323 S324 L325 | E317-W321 WeakPolarHBondContact O-CB 3.17Å; E317-W321 PolarHBondContact O-N 2.97Å; W321-R323 VanDerWaalsContact C-N 3.35Å; W321-R323 PolarHBondContact O-N 3.07Å; W321-S324 WeakPolarHBondContact O-CB 3.36Å; W321-S324 PolarHBondContact O-N 3.3Å; W321-S324 VanDerWaalsContact O-N 3.14Å; W321-L325 HydrophobicContact CH2-CD1 3.46Å; W321-L325 VanDerWaalsContact CH2-CD1 3.46Å; W321-L325 HydrophobicContact CZ2-CD1 3.64Å; W321-L325 HydrophobicContact CZ3-CD1 3.96Å; W321-L325 PolarHBondContact O-N 3.4Å |
| 322 | L | 85.4 | Confident | 85.3 | Confident | 93 Ų | 93 | 113.2 Ų | 113.2 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.9 | -39.1 | 175.1 | -73.2 | 170.7 | 0 | 0 | 0 | 112.8 | R318 R319 N326 | R318-L322 WeakPolarHBondContact O-CG 3.4Å; R318-L322 PolarHBondContact O-N 2.99Å; R319-L322 PolarHBondContact O-N 2.89Å; L322-N326 WeakPolarHBondContact O-CB 3.36Å; L322-N326 PolarHBondContact O-N 2.74Å |
| 323 | R | 86.5 | Confident | 84.5 | Confident | 180 Ų | 180 | 112.1 Ų | 112.1 | 68% | 0.679 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 172.3 | -75.3 | 170.4 | 176.7 | 166.3 | -2 | 111.6 | R319 A320 W321 S327 | R319-R323 WeakPolarHBondContact O-CB 3.4Å; R319-R323 VanDerWaalsContact O-CG 3.3Å; R319-R323 WeakPolarHBondContact O-CG 3.08Å; R319-R323 PolarHBondContact O-N 3.21Å; A320-R323 PolarHBondContact O-N 3.3Å; W321-R323 VanDerWaalsContact C-N 3.35Å; W321-R323 PolarHBondContact O-N 3.07Å; R323-S327 VanDerWaalsContact O-CB 3.23Å; R323-S327 WeakPolarHBondContact O-CB 3.44Å; R323-S327 PolarHBondContact O-N 2.86Å |
| 324 | S | 88.8 | Confident | 83.3 | Confident | 66 Ų | 66 | 114.8 Ų | 114.8 | 46% | 0.462 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | A320 W321 S327 Q328 | A320-S324 WeakPolarHBondContact O-CB 3.22Å; A320-S324 PolarHBondContact O-N 3.04Å; W321-S324 WeakPolarHBondContact O-CB 3.36Å; W321-S324 PolarHBondContact O-N 3.3Å; W321-S324 VanDerWaalsContact O-N 3.14Å; S324-S327 WeakPolarHBondContact O-CB 3.39Å; S324-S327 PolarHBondContact O-N 3.3Å; S324-Q328 PolarHBondContact O-N 2.9Å |
| 325 | L | 84.5 | Confident | 82 | Confident | 79 Ų | 79 | 118.8 Ų | 118.8 | 41% | 0.414 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 178.8 | -163.5 | 157.4 | 0 | 0 | 0 | 111.6 | W321 S327 Q328 R329 | W321-L325 HydrophobicContact CH2-CD1 3.46Å; W321-L325 VanDerWaalsContact CH2-CD1 3.46Å; W321-L325 HydrophobicContact CZ2-CD1 3.64Å; W321-L325 HydrophobicContact CZ3-CD1 3.96Å; W321-L325 PolarHBondContact O-N 3.4Å; L325-S327 VanDerWaalsContact C-N 3.32Å; L325-S327 PolarHBondContact O-N 2.9Å; L325-Q328 PolarHBondContact O-N 3.18Å; L325-R329 PolarHBondContact O-N 3Å |
| 326 | N | 79.1 | Confident | 80.8 | Confident | 103 Ų | 103 | 116.3 Ų | 116.3 | 55% | 0.551 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -69.1 | -31.3 | 175.2 | -158.5 | 41 | 0 | 0 | 0 | 112.3 | L322 R329 S330 | L322-N326 WeakPolarHBondContact O-CB 3.36Å; L322-N326 PolarHBondContact O-N 2.74Å; N326-R329 PolarHBondContact O-N 3.48Å; N326-S330 WeakPolarHBondContact O-CB 3.38Å; N326-S330 PolarHBondContact O-N 3.14Å; N326-S330 PolarHBondContact O-OG 3.48Å |
| 327 | S | 81.4 | Confident | 79 | Confident | 79 Ų | 79 | 115.5 Ų | 115.5 | 55% | 0.552 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -67.7 | -41.5 | 171.7 | -177 | 0 | 0 | 0 | 0 | 112 | R323 S324 L325 S330 A331 | R323-S327 VanDerWaalsContact O-CB 3.23Å; R323-S327 WeakPolarHBondContact O-CB 3.44Å; R323-S327 PolarHBondContact O-N 2.86Å; S324-S327 WeakPolarHBondContact O-CB 3.39Å; S324-S327 PolarHBondContact O-N 3.3Å; L325-S327 VanDerWaalsContact C-N 3.32Å; L325-S327 PolarHBondContact O-N 2.9Å; S327-S330 PolarHBondContact O-N 3.23Å; S327-A331 WeakPolarHBondContact O-CB 3.43Å; S327-A331 PolarHBondContact O-N 3.39Å |
| 328 | Q | 81.8 | Confident | 77.4 | Confident | 131 Ų | 131 | 115.1 Ų | 115.1 | 61% | 0.612 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.3 | -45.7 | 171.4 | -77.3 | -177.1 | -25 | 0 | 0 | 111.5 | S324 L325 S330 A331 Q332 | S324-Q328 PolarHBondContact O-N 2.9Å; L325-Q328 PolarHBondContact O-N 3.18Å; Q328-S330 VanDerWaalsContact C-N 3.32Å; Q328-S330 PolarHBondContact O-N 2.92Å; Q328-A331 PolarHBondContact O-N 2.83Å; Q328-A331 VanDerWaalsContact O-N 3.15Å; Q328-Q332 WeakPolarHBondContact O-CB 3.46Å; Q328-Q332 PolarHBondContact O-N 3.05Å |
| 329 | R | 78.1 | Confident | 75.6 | Confident | 169 Ų | 169 | 110.9 Ų | 110.9 | 64% | 0.638 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.3 | -40.3 | 175.3 | -163.8 | 177.5 | -170.8 | -177.3 | 3.5 | 112.1 | L325 N326 A331 Q332 N333 | L325-R329 PolarHBondContact O-N 3Å; N326-R329 PolarHBondContact O-N 3.48Å; R329-A331 VanDerWaalsContact C-N 3.35Å; R329-Q332 PolarHBondContact O-N 2.94Å; R329-N333 WeakPolarHBondContact O-CB 3.15Å; R329-N333 VanDerWaalsContact O-CG 3.3Å; R329-N333 PolarHBondContact O-N 3.02Å; R329-N333 PolarHBondContact O-OD1 2.85Å |
| 330 | S | 75 | Confident | 73.9 | Confident | 53 Ų | 53 | 109.8 Ų | 109.8 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -37.1 | 174.5 | -56.8 | 0 | 0 | 0 | 0 | 112.5 | N326 S327 Q328 R334 | N326-S330 WeakPolarHBondContact O-CB 3.38Å; N326-S330 PolarHBondContact O-N 3.14Å; N326-S330 PolarHBondContact O-OG 3.48Å; S327-S330 PolarHBondContact O-N 3.23Å; Q328-S330 VanDerWaalsContact C-N 3.32Å; Q328-S330 PolarHBondContact O-N 2.92Å; S330-R334 WeakPolarHBondContact O-CG 3.38Å; S330-R334 PolarHBondContact O-N 3.01Å |
| 331 | A | 75.2 | Confident | 72.3 | Confident | 57 Ų | 57 | 111 Ų | 111 | 47% | 0.471 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S327 Q328 R329 R334 W335 | S327-A331 WeakPolarHBondContact O-CB 3.43Å; S327-A331 PolarHBondContact O-N 3.39Å; Q328-A331 PolarHBondContact O-N 2.83Å; Q328-A331 VanDerWaalsContact O-N 3.15Å; R329-A331 VanDerWaalsContact C-N 3.35Å; A331-R334 PolarHBondContact O-N 3.07Å; A331-W335 WeakPolarHBondContact O-CB 3.11Å; A331-W335 PolarHBondContact O-N 2.83Å |
| 332 | Q | 74 | Confident | 70.3 | Confident | 107 Ų | 107 | 108.5 Ų | 108.5 | 50% | 0.5 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 174.2 | -165.1 | 77.6 | 43.3 | 0 | 0 | 110.8 | Q328 R329 W335 F336 | Q328-Q332 WeakPolarHBondContact O-CB 3.46Å; Q328-Q332 PolarHBondContact O-N 3.05Å; R329-Q332 PolarHBondContact O-N 2.94Å; Q332-W335 WeakPolarHBondContact O-CB 3.48Å; Q332-W335 PolarHBondContact O-N 3.39Å; Q332-F336 HydrophobicContact CG-CD2 4.24Å; Q332-F336 HydrophobicContact CG-CE2 4.15Å; Q332-F336 WeakPolarHBondContact O-CD2 3.44Å; Q332-F336 PolarHBondContact O-N 3.49Å |
| 333 | N | 72.9 | Confident | 68.5 | Low | 88 Ų | 88 | 106.7 Ų | 106.7 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 175.5 | -72.5 | 14 | 0 | 0 | 0 | 111.1 | R329 W335 F336 E337 | R329-N333 WeakPolarHBondContact O-CB 3.15Å; R329-N333 VanDerWaalsContact O-CG 3.3Å; R329-N333 PolarHBondContact O-N 3.02Å; R329-N333 PolarHBondContact O-OD1 2.85Å; N333-W335 PolarHBondContact O-N 2.94Å; N333-F336 PolarHBondContact O-N 2.89Å; N333-E337 WeakPolarHBondContact O-CG 3.49Å; N333-E337 PolarHBondContact O-N 3Å |
| 334 | R | 69.3 | Low | 66.6 | Low | 168 Ų | 168 | 102.3 Ų | 102.3 | 63% | 0.634 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -30.1 | 174.9 | -73.9 | 178.3 | -172.5 | 177.2 | 2.7 | 113.6 | S330 A331 E337 N338 | S330-R334 WeakPolarHBondContact O-CG 3.38Å; S330-R334 PolarHBondContact O-N 3.01Å; A331-R334 PolarHBondContact O-N 3.07Å; R334-E337 WeakPolarHBondContact CA-OE2 3.39Å; R334-N338 VanDerWaalsContact O-CB 3.28Å; R334-N338 WeakPolarHBondContact O-CB 3.3Å; R334-N338 PolarHBondContact O-N 3.21Å; R334-N338 PolarHBondContact O-ND2 3.09Å |
| 335 | W | 61.9 | Low | 64.7 | Low | 138 Ų | 138 | 103.6 Ų | 103.6 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -70.8 | -46.2 | 176.7 | -159.2 | 86.9 | 0 | 0 | 0 | 110.6 | A331 Q332 N333 E337 N338 E339 | A331-W335 WeakPolarHBondContact O-CB 3.11Å; A331-W335 PolarHBondContact O-N 2.83Å; Q332-W335 WeakPolarHBondContact O-CB 3.48Å; Q332-W335 PolarHBondContact O-N 3.39Å; N333-W335 PolarHBondContact O-N 2.94Å; W335-E337 PolarHBondContact O-N 3.04Å; W335-N338 PolarHBondContact O-N 3.23Å; W335-E339 WeakPolarHBondContact CZ3-OE2 3.21Å; W335-E339 WeakPolarHBondContact O-CB 3.44Å; W335-E339 PolarHBondContact O-N 2.76Å |
| 336 | F | 62.1 | Low | 63.1 | Low | 117 Ų | 117 | 103 Ų | 103 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -39.9 | 170.3 | -84.1 | -65.2 | 0 | 0 | 0 | 112.8 | Q332 N333 E339 K340 | Q332-F336 HydrophobicContact CG-CD2 4.24Å; Q332-F336 HydrophobicContact CG-CE2 4.15Å; Q332-F336 WeakPolarHBondContact O-CD2 3.44Å; Q332-F336 PolarHBondContact O-N 3.49Å; N333-F336 PolarHBondContact O-N 2.89Å; F336-E339 PolarHBondContact O-N 2.88Å; F336-K340 WeakPolarHBondContact O-CB 3.45Å; F336-K340 PolarHBondContact O-N 2.97Å |
| 337 | E | 56.2 | Low | 61.9 | Low | 117 Ų | 117 | 102.5 Ų | 102.5 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 174.5 | -73.4 | 172.2 | 146.2 | 0 | 0 | 111.6 | N333 R334 W335 K340 V341 | N333-E337 WeakPolarHBondContact O-CG 3.49Å; N333-E337 PolarHBondContact O-N 3Å; R334-E337 WeakPolarHBondContact CA-OE2 3.39Å; W335-E337 PolarHBondContact O-N 3.04Å; E337-K340 CarbonylContact O-C 3.5Å; E337-K340 PolarHBondContact O-N 2.98Å; E337-V341 VanDerWaalsContact O-CG2 3.26Å; E337-V341 WeakPolarHBondContact O-CG2 3.47Å; E337-V341 PolarHBondContact O-N 2.82Å; E337-V341 VanDerWaalsContact O-N 3.07Å |
| 338 | N | 57.8 | Low | 60.8 | Low | 103 Ų | 103 | 103.1 Ų | 103.1 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69 | -39.7 | 177.8 | -75.7 | -24.9 | 0 | 0 | 0 | 112.8 | R334 W335 K340 V341 T342 | R334-N338 VanDerWaalsContact O-CB 3.28Å; R334-N338 WeakPolarHBondContact O-CB 3.3Å; R334-N338 PolarHBondContact O-N 3.21Å; R334-N338 PolarHBondContact O-ND2 3.09Å; W335-N338 PolarHBondContact O-N 3.23Å; N338-K340 VanDerWaalsContact C-N 3.29Å; N338-K340 PolarHBondContact O-N 2.93Å; N338-V341 CarbonylContact O-C 3.6Å; N338-V341 WeakPolarHBondContact O-CA 3.36Å; N338-V341 WeakPolarHBondContact O-CB 3.4Å; N338-V341 PolarHBondContact O-N 2.88Å; N338-T342 PolarHBondContact O-N 2.63Å; N338-T342 PolarHBondContact O-OG1 3.07Å |
| 339 | E | 52.3 | Low | 60.1 | Low | 95 Ų | 95 | 100.2 Ų | 100.2 | 44% | 0.444 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.2 | -38.3 | 172.5 | -172.9 | 169.9 | -139.6 | 0 | 0 | 111.1 | W335 F336 V341 T342 S343 | W335-E339 WeakPolarHBondContact CZ3-OE2 3.21Å; W335-E339 WeakPolarHBondContact O-CB 3.44Å; W335-E339 PolarHBondContact O-N 2.76Å; F336-E339 PolarHBondContact O-N 2.88Å; E339-V341 PolarHBondContact O-N 2.8Å; E339-T342 WeakPolarHBondContact CA-OG1 3.14Å; E339-T342 PolarHBondContact O-N 3.06Å; E339-T342 PolarHBondContact O-OG1 3.46Å; E339-T342 VanDerWaalsContact O-OG1 3.07Å; E339-S343 PolarHBondContact O-N 3.26Å; E339-S343 PolarHBondContact O-OG 3.49Å |
| 340 | K | 51.8 | Low | 59.6 | Low | 147 Ų | 147 | 98.2 Ų | 98.2 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -77.1 | 12 | 169.3 | -152.2 | 172.3 | -169.4 | 176.7 | 0 | 113.1 | F336 E337 N338 K344 | F336-K340 WeakPolarHBondContact O-CB 3.45Å; F336-K340 PolarHBondContact O-N 2.97Å; E337-K340 CarbonylContact O-C 3.5Å; E337-K340 PolarHBondContact O-N 2.98Å; N338-K340 VanDerWaalsContact C-N 3.29Å; N338-K340 PolarHBondContact O-N 2.93Å; K340-K344 WeakPolarHBondContact O-CD 3.41Å; K340-K344 WeakPolarHBondContact O-CE 3.48Å; K340-K344 VanDerWaalsContact O-CG 3.32Å; K340-K344 WeakPolarHBondContact O-CG 3.36Å; K340-K344 PolarHBondContact O-NZ 3Å |
| 341 | V | 53.3 | Low | 59.4 | Low | 77 Ų | 77 | 99.4 Ų | 99.4 | 47% | 0.467 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -120.9 | -29.8 | 170.8 | 162.8 | 0 | 0 | 0 | 0 | 111.2 | E337 N338 E339 S343 K344 P345 | E337-V341 VanDerWaalsContact O-CG2 3.26Å; E337-V341 WeakPolarHBondContact O-CG2 3.47Å; E337-V341 PolarHBondContact O-N 2.82Å; E337-V341 VanDerWaalsContact O-N 3.07Å; N338-V341 CarbonylContact O-C 3.6Å; N338-V341 WeakPolarHBondContact O-CA 3.36Å; N338-V341 WeakPolarHBondContact O-CB 3.4Å; N338-V341 PolarHBondContact O-N 2.88Å; E339-V341 PolarHBondContact O-N 2.8Å; V341-S343 VanDerWaalsContact C-N 3.31Å; V341-S343 PolarHBondContact O-N 2.81Å; V341-K344 HydrophobicContact CG2-CD 4.3Å; V341-K344 PolarHBondContact O-N 2.97Å; V341-P345 WeakPolarHBondContact O-CD 3.17Å |
| 342 | T | 49.2 | Very low | 59.3 | Low | 111 Ų | 111 | 102.4 Ų | 102.4 | 68% | 0.681 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.6 | -23.3 | 172.6 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | N338 E339 | N338-T342 PolarHBondContact O-N 2.63Å; N338-T342 PolarHBondContact O-OG1 3.07Å; E339-T342 WeakPolarHBondContact CA-OG1 3.14Å; E339-T342 PolarHBondContact O-N 3.06Å; E339-T342 PolarHBondContact O-OG1 3.46Å; E339-T342 VanDerWaalsContact O-OG1 3.07Å |
| 343 | S | 46.4 | Very low | 59.3 | Low | 55 Ų | 55 | 103.9 Ų | 103.9 | 39% | 0.385 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -78.4 | -36 | 169.5 | 37.4 | 0 | 0 | 0 | 0 | 113.2 | E339 V341 P345 A346 | E339-S343 PolarHBondContact O-N 3.26Å; E339-S343 PolarHBondContact O-OG 3.49Å; V341-S343 VanDerWaalsContact C-N 3.31Å; V341-S343 PolarHBondContact O-N 2.81Å; S343-P345 WeakPolarHBondContact O-CD 3.39Å; S343-A346 PolarHBondContact O-N 3.47Å |
| 344 | K | 47.3 | Very low | 59.5 | Low | 88 Ų | 88 | 103.4 Ų | 103.4 | 38% | 0.383 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.1 | -31.9 | -171.6 | -87 | -179.4 | -174.7 | 127 | 0 | 118.5 | K340 V341 A346 D347 L348 | K340-K344 WeakPolarHBondContact O-CD 3.41Å; K340-K344 WeakPolarHBondContact O-CE 3.48Å; K340-K344 VanDerWaalsContact O-CG 3.32Å; K340-K344 WeakPolarHBondContact O-CG 3.36Å; K340-K344 PolarHBondContact O-NZ 3Å; V341-K344 HydrophobicContact CG2-CD 4.3Å; V341-K344 PolarHBondContact O-N 2.97Å; K344-A346 VanDerWaalsContact C-N 3.28Å; K344-A346 PolarHBondContact O-N 3.36Å; K344-D347 PolarHBondContact O-N 2.97Å; K344-L348 HydrophobicContact CB-CD1 4.17Å; K344-L348 HydrophobicContact CD-CD1 4.41Å; K344-L348 HydrophobicContact CG-CD1 4.22Å; K344-L348 WeakPolarHBondContact O-CB 3.38Å; K344-L348 PolarHBondContact O-N 3.27Å |
| 345 | P | 49.8 | Very low | 60 | Low | 94 Ų | 94 | 102.4 Ų | 102.4 | 61% | 0.61 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.9 | -27 | -175.1 | 24 | -33.7 | 0 | 0 | 0 | 113.7 | V341 S343 S349 | V341-P345 WeakPolarHBondContact O-CD 3.17Å; S343-P345 WeakPolarHBondContact O-CD 3.39Å; P345-S349 PolarHBondContact O-N 3.29Å |
| 346 | A | 50.8 | Low | 60.8 | Low | 67 Ų | 67 | 100 Ų | 100 | 55% | 0.554 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -74.2 | -51.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.8 | S343 K344 L348 S349 Q350 | S343-A346 PolarHBondContact O-N 3.47Å; K344-A346 VanDerWaalsContact C-N 3.28Å; K344-A346 PolarHBondContact O-N 3.36Å; A346-L348 VanDerWaalsContact C-N 3.35Å; A346-L348 PolarHBondContact O-N 3.21Å; A346-S349 WeakPolarHBondContact O-CB 3.45Å; A346-S349 PolarHBondContact O-N 2.9Å; A346-S349 VanDerWaalsContact O-N 3.09Å; A346-Q350 PolarHBondContact O-N 2.8Å; A346-Q350 VanDerWaalsContact O-N 3.1Å |
| 347 | D | 53 | Low | 61.5 | Low | 92 Ų | 92 | 101.3 Ų | 101.3 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | -177.9 | -58 | -25.4 | 0 | 0 | 0 | 112.2 | K344 S349 Q350 E351 | K344-D347 PolarHBondContact O-N 2.97Å; D347-S349 PolarHBondContact O-N 3.38Å; D347-Q350 PolarHBondContact O-N 3.2Å; D347-E351 WeakPolarHBondContact O-CB 3.49Å; D347-E351 PolarHBondContact O-N 3.17Å |
| 348 | L | 58.9 | Low | 62.5 | Low | 91 Ų | 91 | 101.8 Ų | 101.8 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -37.1 | 174.3 | -106.4 | 76.3 | 0 | 0 | 0 | 112.3 | K344 A346 Q352 | K344-L348 HydrophobicContact CB-CD1 4.17Å; K344-L348 HydrophobicContact CD-CD1 4.41Å; K344-L348 HydrophobicContact CG-CD1 4.22Å; K344-L348 WeakPolarHBondContact O-CB 3.38Å; K344-L348 PolarHBondContact O-N 3.27Å; A346-L348 VanDerWaalsContact C-N 3.35Å; A346-L348 PolarHBondContact O-N 3.21Å; L348-Q352 WeakPolarHBondContact O-CB 3.23Å; L348-Q352 WeakPolarHBondContact O-CG 3.45Å; L348-Q352 PolarHBondContact O-N 2.95Å |
| 349 | S | 67.5 | Low | 63.2 | Low | 71 Ų | 71 | 102.2 Ų | 102.2 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 176.2 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | P345 A346 D347 Q352 E353 | P345-S349 PolarHBondContact O-N 3.29Å; A346-S349 WeakPolarHBondContact O-CB 3.45Å; A346-S349 PolarHBondContact O-N 2.9Å; A346-S349 VanDerWaalsContact O-N 3.09Å; D347-S349 PolarHBondContact O-N 3.38Å; S349-Q352 PolarHBondContact O-N 3.46Å; S349-E353 WeakPolarHBondContact O-CB 3.5Å; S349-E353 PolarHBondContact O-N 3.32Å |
| 350 | Q | 67.3 | Low | 64.4 | Low | 127 Ų | 127 | 106.3 Ų | 106.3 | 59% | 0.593 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -70.2 | -39.3 | -178.2 | -155 | 169.3 | 27.9 | 0 | 0 | 112 | A346 D347 E353 I354 | A346-Q350 PolarHBondContact O-N 2.8Å; A346-Q350 VanDerWaalsContact O-N 3.1Å; D347-Q350 PolarHBondContact O-N 3.2Å; Q350-E353 PolarHBondContact O-N 3.43Å; Q350-I354 HydrophobicContact CG-CD1 4.42Å; Q350-I354 WeakPolarHBondContact O-CB 3.47Å; Q350-I354 WeakPolarHBondContact O-CD1 3.35Å; Q350-I354 WeakPolarHBondContact O-CG1 3.29Å; Q350-I354 PolarHBondContact O-N 3.02Å |
| 351 | E | 69.7 | Low | 65.4 | Low | 77 Ų | 77 | 101.2 Ų | 101.2 | 36% | 0.36 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.8 | -38.2 | 173.7 | 178.2 | 60.6 | -169.1 | 0 | 0 | 112.2 | D347 R355 | D347-E351 WeakPolarHBondContact O-CB 3.49Å; D347-E351 PolarHBondContact O-N 3.17Å; E351-R355 WeakPolarHBondContact O-CB 3.33Å; E351-R355 WeakPolarHBondContact O-CG 3.38Å; E351-R355 PolarHBondContact O-N 2.96Å; E351-R355 IonicContact OE1-CZ 3.95Å; E351-R355 IonicContact OE1-NE 3.21Å; E351-R355 PolarHBondContact OE1-NE 2.9Å; E351-R355 IonicContact OE1-NH2 2.68Å; E351-R355 PolarHBondContact OE1-NH2 3.37Å |
| 352 | Q | 73.6 | Confident | 66.2 | Low | 120 Ų | 120 | 103.1 Ų | 103.1 | 56% | 0.561 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -37.6 | 172.2 | -78.1 | 178.9 | -0 | 0 | 0 | 111.9 | L348 S349 R355 L356 | L348-Q352 WeakPolarHBondContact O-CB 3.23Å; L348-Q352 WeakPolarHBondContact O-CG 3.45Å; L348-Q352 PolarHBondContact O-N 2.95Å; S349-Q352 PolarHBondContact O-N 3.46Å; Q352-R355 PolarHBondContact O-N 3.34Å; Q352-L356 WeakPolarHBondContact O-CB 3.37Å; Q352-L356 PolarHBondContact O-N 3.08Å |
| 353 | E | 74.9 | Confident | 67.1 | Low | 139 Ų | 139 | 106.7 Ų | 106.7 | 65% | 0.65 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -70.8 | -38.6 | 177 | -168.3 | 155.9 | -136.9 | 0 | 0 | 111.9 | S349 Q350 L356 H357 | S349-E353 WeakPolarHBondContact O-CB 3.5Å; S349-E353 PolarHBondContact O-N 3.32Å; Q350-E353 PolarHBondContact O-N 3.43Å; E353-L356 PolarHBondContact O-N 3.02Å; E353-H357 WeakPolarHBondContact O-CB 3.17Å; E353-H357 PolarHBondContact O-N 2.81Å |
| 354 | I | 77.6 | Confident | 68.3 | Low | 78 Ų | 78 | 106 Ų | 106 | 40% | 0.4 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 169.8 | -71 | 163.8 | 0 | 0 | 0 | 111 | Q350 H357 K358 | Q350-I354 HydrophobicContact CG-CD1 4.42Å; Q350-I354 WeakPolarHBondContact O-CB 3.47Å; Q350-I354 WeakPolarHBondContact O-CD1 3.35Å; Q350-I354 WeakPolarHBondContact O-CG1 3.29Å; Q350-I354 PolarHBondContact O-N 3.02Å; I354-H357 PolarHBondContact O-N 2.92Å; I354-K358 HydrophobicContact CG2-CD 4.46Å; I354-K358 WeakPolarHBondContact O-CG 3.23Å; I354-K358 PolarHBondContact O-N 2.96Å |
| 355 | R | 79.6 | Confident | 69.2 | Low | 147 Ų | 147 | 107.4 Ų | 107.4 | 56% | 0.555 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.4 | -39.8 | 174.2 | -74 | 172.4 | -167.8 | -164.3 | 5.1 | 112 | E351 Q352 H357 K358 L359 | E351-R355 WeakPolarHBondContact O-CB 3.33Å; E351-R355 WeakPolarHBondContact O-CG 3.38Å; E351-R355 PolarHBondContact O-N 2.96Å; E351-R355 IonicContact OE1-CZ 3.95Å; E351-R355 IonicContact OE1-NE 3.21Å; E351-R355 PolarHBondContact OE1-NE 2.9Å; E351-R355 IonicContact OE1-NH2 2.68Å; E351-R355 PolarHBondContact OE1-NH2 3.37Å; Q352-R355 PolarHBondContact O-N 3.34Å; R355-H357 VanDerWaalsContact C-N 3.34Å; R355-K358 PolarHBondContact O-N 2.88Å; R355-L359 WeakPolarHBondContact O-CB 3.44Å; R355-L359 VanDerWaalsContact O-CG 3.31Å; R355-L359 WeakPolarHBondContact O-CG 3.38Å; R355-L359 PolarHBondContact O-N 3.46Å |
| 356 | L | 77.1 | Confident | 70.1 | Confident | 86 Ų | 86 | 107.2 Ų | 107.2 | 45% | 0.45 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 172.1 | -91.9 | 163.3 | 0 | 0 | 0 | 112 | Q352 E353 L359 R360 | Q352-L356 WeakPolarHBondContact O-CB 3.37Å; Q352-L356 PolarHBondContact O-N 3.08Å; E353-L356 PolarHBondContact O-N 3.02Å; L356-L359 PolarHBondContact O-N 3.35Å; L356-R360 WeakPolarHBondContact O-CB 3.32Å; L356-R360 VanDerWaalsContact O-CG 3.23Å; L356-R360 WeakPolarHBondContact O-CG 3.33Å; L356-R360 PolarHBondContact O-N 3.12Å |
| 357 | H | 77.7 | Confident | 71.1 | Confident | 146 Ų | 146 | 107.7 Ų | 107.7 | 68% | 0.676 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65.9 | -44.8 | 174.4 | -165.6 | -77.8 | 0 | 0 | 0 | 111.5 | E353 I354 R355 R360 G361 | E353-H357 WeakPolarHBondContact O-CB 3.17Å; E353-H357 PolarHBondContact O-N 2.81Å; I354-H357 PolarHBondContact O-N 2.92Å; R355-H357 VanDerWaalsContact C-N 3.34Å; H357-R360 PolarHBondContact O-N 3.41Å; H357-G361 PolarHBondContact O-N 3.47Å |
| 358 | K | 77.9 | Confident | 72 | Confident | 127 Ų | 127 | 110.4 Ų | 110.4 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.6 | -46.6 | 172.6 | -73.8 | 178 | 177.6 | 179.6 | 0 | 111.6 | I354 R355 R360 G361 F362 | I354-K358 HydrophobicContact CG2-CD 4.46Å; I354-K358 WeakPolarHBondContact O-CG 3.23Å; I354-K358 PolarHBondContact O-N 2.96Å; R355-K358 PolarHBondContact O-N 2.88Å; K358-R360 PolarHBondContact O-N 3.01Å; K358-G361 CarbonylContact O-C 3.53Å; K358-G361 WeakPolarHBondContact O-CA 3.4Å; K358-G361 PolarHBondContact O-N 2.89Å; K358-G361 VanDerWaalsContact O-N 3.15Å; K358-F362 HydrophobicContact CB-CE2 4.39Å; K358-F362 WeakPolarHBondContact O-CD2 3.49Å; K358-F362 PolarHBondContact O-N 2.93Å |
| 359 | L | 70.9 | Confident | 72.8 | Confident | 112 Ų | 112 | 110 Ų | 110 | 59% | 0.586 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.9 | -37.4 | 176.9 | -77.6 | 165.8 | 0 | 0 | 0 | 113.1 | R355 L356 R363 | R355-L359 WeakPolarHBondContact O-CB 3.44Å; R355-L359 VanDerWaalsContact O-CG 3.31Å; R355-L359 WeakPolarHBondContact O-CG 3.38Å; R355-L359 PolarHBondContact O-N 3.46Å; L356-L359 PolarHBondContact O-N 3.35Å; L359-R363 WeakPolarHBondContact O-CB 3.46Å; L359-R363 PolarHBondContact O-N 3.32Å |
| 360 | R | 78.1 | Confident | 73.4 | Confident | 181 Ų | 181 | 111.8 Ų | 111.8 | 68% | 0.683 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.4 | -40.1 | 172.3 | -72.4 | 171.6 | -167 | -170.9 | 7.6 | 111.4 | L356 H357 K358 R363 G364 | L356-R360 WeakPolarHBondContact O-CB 3.32Å; L356-R360 VanDerWaalsContact O-CG 3.23Å; L356-R360 WeakPolarHBondContact O-CG 3.33Å; L356-R360 PolarHBondContact O-N 3.12Å; H357-R360 PolarHBondContact O-N 3.41Å; K358-R360 PolarHBondContact O-N 3.01Å; R360-R363 PolarHBondContact O-N 3.41Å; R360-G364 PolarHBondContact O-N 2.92Å |
| 361 | G | 73.7 | Confident | 73.8 | Confident | 39 Ų | 39 | 109.7 Ų | 109.7 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.1 | -51.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | H357 K358 R363 G364 Q365 | H357-G361 PolarHBondContact O-N 3.47Å; K358-G361 CarbonylContact O-C 3.53Å; K358-G361 WeakPolarHBondContact O-CA 3.4Å; K358-G361 PolarHBondContact O-N 2.89Å; K358-G361 VanDerWaalsContact O-N 3.15Å; G361-R363 PolarHBondContact O-N 2.84Å; G361-G364 PolarHBondContact O-N 3.19Å; G361-G364 VanDerWaalsContact O-N 3.14Å; G361-Q365 PolarHBondContact O-N 3.45Å |
| 362 | F | 70.4 | Confident | 74.5 | Confident | 118 Ų | 118 | 109 Ų | 109 | 52% | 0.518 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 175 | -74.7 | -56.7 | 0 | 0 | 0 | 111.9 | K358 G364 Q365 T366 | K358-F362 HydrophobicContact CB-CE2 4.39Å; K358-F362 WeakPolarHBondContact O-CD2 3.49Å; K358-F362 PolarHBondContact O-N 2.93Å; F362-G364 VanDerWaalsContact C-N 3.27Å; F362-G364 PolarHBondContact O-N 3.22Å; F362-Q365 CarbonylContact O-C 3.28Å; F362-Q365 WeakPolarHBondContact O-CA 3.37Å; F362-Q365 WeakPolarHBondContact O-CB 3.23Å; F362-Q365 PolarHBondContact O-N 3.29Å; F362-T366 PolarHBondContact O-N 3.4Å; F362-T366 PolarHBondContact O-OG1 3.33Å |
| 363 | R | 67.6 | Low | 74.9 | Confident | 185 Ų | 185 | 107.3 Ų | 107.3 | 70% | 0.698 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.9 | -35.7 | 176.3 | -165.9 | 175.5 | -166.4 | -100.7 | -0.4 | 112.6 | L359 R360 G361 T366 E367 | L359-R363 WeakPolarHBondContact O-CB 3.46Å; L359-R363 PolarHBondContact O-N 3.32Å; R360-R363 PolarHBondContact O-N 3.41Å; G361-R363 PolarHBondContact O-N 2.84Å; R363-T366 PolarHBondContact O-N 2.92Å; R363-E367 PolarHBondContact O-N 3.16Å |
| 364 | G | 71.7 | Confident | 75.4 | Confident | 40 Ų | 40 | 104.1 Ų | 104.1 | 41% | 0.412 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | R360 G361 F362 E367 Q368 | R360-G364 PolarHBondContact O-N 2.92Å; G361-G364 PolarHBondContact O-N 3.19Å; G361-G364 VanDerWaalsContact O-N 3.14Å; F362-G364 VanDerWaalsContact C-N 3.27Å; F362-G364 PolarHBondContact O-N 3.22Å; G364-E367 PolarHBondContact O-N 3.01Å; G364-Q368 WeakPolarHBondContact O-CB 3.44Å; G364-Q368 PolarHBondContact O-N 3.37Å |
| 365 | Q | 66.7 | Low | 75.7 | Confident | 118 Ų | 118 | 105.3 Ų | 105.3 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -41.3 | 174.1 | -68.6 | 174.5 | -12.6 | 0 | 0 | 112 | G361 F362 Q368 V369 | G361-Q365 PolarHBondContact O-N 3.45Å; F362-Q365 CarbonylContact O-C 3.28Å; F362-Q365 WeakPolarHBondContact O-CA 3.37Å; F362-Q365 WeakPolarHBondContact O-CB 3.23Å; F362-Q365 PolarHBondContact O-N 3.29Å; Q365-Q368 PolarHBondContact O-N 2.94Å; Q365-V369 WeakPolarHBondContact O-CB 3.5Å; Q365-V369 WeakPolarHBondContact O-CG2 3.21Å; Q365-V369 PolarHBondContact O-N 3.44Å |
| 366 | T | 68.1 | Low | 76 | Confident | 91 Ų | 91 | 102.9 Ų | 102.9 | 56% | 0.558 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 176.6 | -49.1 | 0 | 0 | 0 | 0 | 111.6 | F362 R363 V369 R370 | F362-T366 PolarHBondContact O-N 3.4Å; F362-T366 PolarHBondContact O-OG1 3.33Å; R363-T366 PolarHBondContact O-N 2.92Å; T366-V369 PolarHBondContact O-N 2.85Å; T366-R370 WeakPolarHBondContact O-CB 3.28Å; T366-R370 PolarHBondContact O-N 3.26Å |
| 367 | E | 70.4 | Confident | 76.5 | Confident | 77 Ų | 77 | 102.6 Ų | 102.6 | 36% | 0.36 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 173.8 | -80 | -62 | 147.7 | 0 | 0 | 112.2 | R363 G364 R370 L371 | R363-E367 PolarHBondContact O-N 3.16Å; G364-E367 PolarHBondContact O-N 3.01Å; E367-R370 WeakPolarHBondContact O-CB 3.43Å; E367-R370 PolarHBondContact O-N 2.99Å; E367-R370 IonicContact OE1-NE 3.77Å; E367-R370 PolarHBondContact OE1-NE 2.94Å; E367-R370 IonicContact OE2-CZ 3.06Å; E367-R370 IonicContact OE2-NE 2.76Å; E367-R370 PolarHBondContact OE2-NE 3.43Å; E367-R370 IonicContact OE2-NH2 3.09Å; E367-R370 PolarHBondContact OE2-NH2 3.42Å; E367-L371 WeakPolarHBondContact O-CB 3.29Å; E367-L371 VanDerWaalsContact O-CG 3.3Å; E367-L371 WeakPolarHBondContact O-CG 3.36Å; E367-L371 PolarHBondContact O-N 3.39Å |
| 368 | Q | 72.7 | Confident | 77.2 | Confident | 149 Ų | 149 | 100.7 Ų | 100.7 | 70% | 0.696 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.5 | -36.6 | 177.4 | -170 | 161.1 | -6.1 | 0 | 0 | 112.5 | G364 Q365 S372 | G364-Q368 WeakPolarHBondContact O-CB 3.44Å; G364-Q368 PolarHBondContact O-N 3.37Å; Q365-Q368 PolarHBondContact O-N 2.94Å; Q368-S372 WeakPolarHBondContact O-CB 3.16Å; Q368-S372 PolarHBondContact O-N 3.35Å |
| 369 | V | 75.4 | Confident | 77.6 | Confident | 83 Ų | 83 | 98.9 Ų | 98.9 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 169.7 | 169.4 | 0 | 0 | 0 | 0 | 110.8 | Q365 T366 L371 S372 N373 | Q365-V369 WeakPolarHBondContact O-CB 3.5Å; Q365-V369 WeakPolarHBondContact O-CG2 3.21Å; Q365-V369 PolarHBondContact O-N 3.44Å; T366-V369 PolarHBondContact O-N 2.85Å; V369-L371 PolarHBondContact O-N 2.92Å; V369-S372 PolarHBondContact O-N 3.47Å; V369-N373 WeakPolarHBondContact O-CB 3.46Å; V369-N373 PolarHBondContact O-N 2.95Å; V369-N373 PolarHBondContact O-ND2 3.36Å |
| 370 | R | 80.5 | Confident | 78.6 | Confident | 107 Ų | 107 | 98.4 Ų | 98.4 | 40% | 0.404 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 176 | -165 | -170.7 | 63.9 | 61.3 | 12.6 | 111.6 | T366 E367 N373 E374 | T366-R370 WeakPolarHBondContact O-CB 3.28Å; T366-R370 PolarHBondContact O-N 3.26Å; E367-R370 WeakPolarHBondContact O-CB 3.43Å; E367-R370 PolarHBondContact O-N 2.99Å; E367-R370 IonicContact OE1-NE 3.77Å; E367-R370 PolarHBondContact OE1-NE 2.94Å; E367-R370 IonicContact OE2-CZ 3.06Å; E367-R370 IonicContact OE2-NE 2.76Å; E367-R370 PolarHBondContact OE2-NE 3.43Å; E367-R370 IonicContact OE2-NH2 3.09Å; E367-R370 PolarHBondContact OE2-NH2 3.42Å; R370-N373 PolarHBondContact O-N 3.08Å; R370-E374 IonicContact CZ-OE2 2.82Å; R370-E374 IonicContact NH1-OE2 2.74Å; R370-E374 PolarHBondContact NH1-OE2 2.89Å; R370-E374 IonicContact NH2-OE2 3.48Å; R370-E374 PolarHBondContact O-N 3.22Å |
| 371 | L | 76.4 | Confident | 79.2 | Confident | 84 Ų | 84 | 94.6 Ų | 94.6 | 44% | 0.44 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.9 | -37.6 | 175.8 | -70.2 | 168 | 0 | 0 | 0 | 112.5 | E367 V369 E374 N375 | E367-L371 WeakPolarHBondContact O-CB 3.29Å; E367-L371 VanDerWaalsContact O-CG 3.3Å; E367-L371 WeakPolarHBondContact O-CG 3.36Å; E367-L371 PolarHBondContact O-N 3.39Å; V369-L371 PolarHBondContact O-N 2.92Å; L371-E374 PolarHBondContact O-N 2.91Å; L371-N375 PolarHBondContact O-N 3.33Å; L371-N375 VanDerWaalsContact O-N 3.13Å; L371-N375 PolarHBondContact O-ND2 3.2Å |
| 372 | S | 84.2 | Confident | 80 | Confident | 63 Ų | 63 | 100.1 Ų | 100.1 | 44% | 0.441 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 172.4 | -167.8 | 0 | 0 | 0 | 0 | 111.2 | Q368 V369 N375 L376 | Q368-S372 WeakPolarHBondContact O-CB 3.16Å; Q368-S372 PolarHBondContact O-N 3.35Å; V369-S372 PolarHBondContact O-N 3.47Å; S372-N375 PolarHBondContact O-N 3.08Å; S372-N375 VanDerWaalsContact O-N 3.17Å; S372-L376 PolarHBondContact O-N 3.23Å |
| 373 | N | 81.7 | Confident | 81 | Confident | 83 Ų | 83 | 98.8 Ų | 98.8 | 44% | 0.444 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 178.2 | -69.1 | -13.2 | 0 | 0 | 0 | 112.3 | V369 R370 N375 L376 V377 | V369-N373 WeakPolarHBondContact O-CB 3.46Å; V369-N373 PolarHBondContact O-N 2.95Å; V369-N373 PolarHBondContact O-ND2 3.36Å; R370-N373 PolarHBondContact O-N 3.08Å; N373-N375 VanDerWaalsContact C-N 3.28Å; N373-N375 PolarHBondContact O-N 3.42Å; N373-L376 PolarHBondContact O-N 2.67Å; N373-V377 WeakPolarHBondContact O-CG2 3.44Å; N373-V377 PolarHBondContact O-N 3.21Å |
| 374 | E | 84.6 | Confident | 82 | Confident | 73 Ų | 73 | 92.6 Ų | 92.6 | 34% | 0.341 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.8 | -38 | 170.7 | -92 | -162.2 | 72.1 | 0 | 0 | 112.8 | R370 L371 K378 | R370-E374 IonicContact CZ-OE2 2.82Å; R370-E374 IonicContact NH1-OE2 2.74Å; R370-E374 PolarHBondContact NH1-OE2 2.89Å; R370-E374 IonicContact NH2-OE2 3.48Å; R370-E374 PolarHBondContact O-N 3.22Å; L371-E374 PolarHBondContact O-N 2.91Å; E374-K378 VanDerWaalsContact O-CD 3.23Å; E374-K378 WeakPolarHBondContact O-CD 3.23Å; E374-K378 WeakPolarHBondContact O-CE 3.23Å; E374-K378 VanDerWaalsContact O-CG 3.22Å; E374-K378 WeakPolarHBondContact O-CG 3.4Å; E374-K378 PolarHBondContact O-N 3.05Å; E374-K378 IonicContact OE1-NZ 2.67Å; E374-K378 PolarHBondContact OE1-NZ 3.22Å |
| 375 | N | 84.9 | Confident | 82.9 | Confident | 102 Ų | 102 | 94.8 Ų | 94.8 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.4 | -37.1 | 178 | -69.8 | -18.6 | 0 | 0 | 0 | 111.9 | L371 S372 N373 K378 E379 | L371-N375 PolarHBondContact O-N 3.33Å; L371-N375 VanDerWaalsContact O-N 3.13Å; L371-N375 PolarHBondContact O-ND2 3.2Å; S372-N375 PolarHBondContact O-N 3.08Å; S372-N375 VanDerWaalsContact O-N 3.17Å; N373-N375 VanDerWaalsContact C-N 3.28Å; N373-N375 PolarHBondContact O-N 3.42Å; N375-K378 PolarHBondContact O-N 3.39Å; N375-E379 PolarHBondContact O-N 3.47Å |
| 376 | L | 85.1 | Confident | 84 | Confident | 97 Ų | 97 | 94.3 Ų | 94.3 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 171.2 | -80.8 | 162.7 | 0 | 0 | 0 | 111.8 | S372 N373 K378 E379 I380 | S372-L376 PolarHBondContact O-N 3.23Å; N373-L376 PolarHBondContact O-N 2.67Å; L376-K378 PolarHBondContact O-N 3.35Å; L376-E379 PolarHBondContact O-N 3.36Å; L376-I380 WeakPolarHBondContact O-CB 3.22Å; L376-I380 VanDerWaalsContact O-CG1 3.25Å; L376-I380 WeakPolarHBondContact O-CG1 3.38Å; L376-I380 PolarHBondContact O-N 3.26Å |
| 377 | V | 88.3 | Confident | 84.9 | Confident | 80 Ų | 80 | 95.8 Ų | 95.8 | 49% | 0.485 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58.9 | -47.3 | 175.5 | 169.6 | 0 | 0 | 0 | 0 | 111 | N373 E379 I380 D381 | N373-V377 WeakPolarHBondContact O-CG2 3.44Å; N373-V377 PolarHBondContact O-N 3.21Å; V377-E379 VanDerWaalsContact C-N 3.29Å; V377-E379 PolarHBondContact O-N 3.24Å; V377-I380 PolarHBondContact O-N 2.84Å; V377-I380 VanDerWaalsContact O-N 3.15Å; V377-D381 PolarHBondContact O-N 3.18Å |
| 378 | K | 91.4 | Very high | 85.8 | Confident | 106 Ų | 106 | 93.9 Ų | 93.9 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.5 | -35.6 | 178.7 | -70.2 | 159 | -162.8 | 161.6 | 0 | 112.9 | E374 N375 L376 R382 | E374-K378 VanDerWaalsContact O-CD 3.23Å; E374-K378 WeakPolarHBondContact O-CD 3.23Å; E374-K378 WeakPolarHBondContact O-CE 3.23Å; E374-K378 VanDerWaalsContact O-CG 3.22Å; E374-K378 WeakPolarHBondContact O-CG 3.4Å; E374-K378 PolarHBondContact O-N 3.05Å; E374-K378 IonicContact OE1-NZ 2.67Å; E374-K378 PolarHBondContact OE1-NZ 3.22Å; N375-K378 PolarHBondContact O-N 3.39Å; L376-K378 PolarHBondContact O-N 3.35Å; K378-R382 WeakPolarHBondContact O-CB 3.46Å; K378-R382 PolarHBondContact O-N 2.8Å; K378-R382 VanDerWaalsContact O-N 3.13Å |
| 379 | E | 87.4 | Confident | 86.6 | Confident | 88 Ų | 88 | 88.1 Ų | 88.1 | 41% | 0.411 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -79.5 | -31.6 | 176.7 | -161.9 | 60.6 | -156.4 | 0 | 0 | 112.2 | N375 L376 V377 R382 L383 | N375-E379 PolarHBondContact O-N 3.47Å; L376-E379 PolarHBondContact O-N 3.36Å; V377-E379 VanDerWaalsContact C-N 3.29Å; V377-E379 PolarHBondContact O-N 3.24Å; E379-R382 WeakPolarHBondContact O-CB 3.4Å; E379-R382 PolarHBondContact O-N 3.1Å; E379-R382 WeakPolarHBondContact OE1-CD 3.46Å; E379-R382 WeakPolarHBondContact OE2-CD 3.42Å; E379-R382 IonicContact OE2-NH1 2.67Å; E379-L383 WeakPolarHBondContact O-CB 3.26Å; E379-L383 VanDerWaalsContact O-CG 3.26Å; E379-L383 WeakPolarHBondContact O-CG 3.35Å; E379-L383 PolarHBondContact O-N 2.83Å |
| 380 | I | 90.7 | Very high | 87.3 | Confident | 103 Ų | 103 | 90.4 Ų | 90.4 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 169.4 | -70.4 | 163.8 | 0 | 0 | 0 | 110.7 | L376 V377 R382 L383 A384 | L376-I380 WeakPolarHBondContact O-CB 3.22Å; L376-I380 VanDerWaalsContact O-CG1 3.25Å; L376-I380 WeakPolarHBondContact O-CG1 3.38Å; L376-I380 PolarHBondContact O-N 3.26Å; V377-I380 PolarHBondContact O-N 2.84Å; V377-I380 VanDerWaalsContact O-N 3.15Å; I380-R382 VanDerWaalsContact C-N 3.28Å; I380-R382 PolarHBondContact O-N 2.97Å; I380-L383 PolarHBondContact O-N 2.73Å; I380-A384 WeakPolarHBondContact O-CB 3.35Å; I380-A384 PolarHBondContact O-N 3.39Å |
| 381 | D | 91.3 | Very high | 87.8 | Confident | 101 Ų | 101 | 91.4 Ų | 91.4 | 54% | 0.54 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.8 | -39.6 | 175.3 | -69.8 | -30.7 | 0 | 0 | 0 | 111.5 | V377 A384 S385 | V377-D381 PolarHBondContact O-N 3.18Å; D381-A384 PolarHBondContact O-N 3.23Å; D381-S385 WeakPolarHBondContact O-CB 3.46Å; D381-S385 PolarHBondContact O-N 2.91Å |
| 382 | R | 91.4 | Very high | 88.4 | Confident | 155 Ų | 155 | 94.6 Ų | 94.6 | 59% | 0.585 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.5 | -43.9 | 175.9 | -167.4 | -175.2 | -162.7 | 163.8 | 3.7 | 112.3 | K378 E379 I380 S385 L386 | K378-R382 WeakPolarHBondContact O-CB 3.46Å; K378-R382 PolarHBondContact O-N 2.8Å; K378-R382 VanDerWaalsContact O-N 3.13Å; E379-R382 WeakPolarHBondContact O-CB 3.4Å; E379-R382 PolarHBondContact O-N 3.1Å; E379-R382 WeakPolarHBondContact OE1-CD 3.46Å; E379-R382 WeakPolarHBondContact OE2-CD 3.42Å; E379-R382 IonicContact OE2-NH1 2.67Å; I380-R382 VanDerWaalsContact C-N 3.28Å; I380-R382 PolarHBondContact O-N 2.97Å; R382-S385 WeakPolarHBondContact O-CB 3.49Å; R382-S385 PolarHBondContact O-N 2.66Å; R382-L386 WeakPolarHBondContact O-CG 3.23Å; R382-L386 PolarHBondContact O-N 2.89Å |
| 383 | L | 90.1 | Very high | 88.6 | Confident | 90 Ų | 90 | 94.8 Ų | 94.8 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 175.9 | -72.3 | 168.5 | 0 | 0 | 0 | 111.3 | E379 I380 S385 L386 L387 | E379-L383 WeakPolarHBondContact O-CB 3.26Å; E379-L383 VanDerWaalsContact O-CG 3.26Å; E379-L383 WeakPolarHBondContact O-CG 3.35Å; E379-L383 PolarHBondContact O-N 2.83Å; I380-L383 PolarHBondContact O-N 2.73Å; L383-S385 VanDerWaalsContact C-N 3.34Å; L383-S385 PolarHBondContact O-N 2.74Å; L383-L386 PolarHBondContact O-N 3.18Å; L383-L387 WeakPolarHBondContact O-CB 3.35Å; L383-L387 VanDerWaalsContact O-CG 3.3Å; L383-L387 WeakPolarHBondContact O-CG 3.42Å; L383-L387 PolarHBondContact O-N 2.82Å |
| 384 | A | 89 | Confident | 88.9 | Confident | 55 Ų | 55 | 96.6 Ų | 96.6 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | I380 D381 L387 S388 | I380-A384 WeakPolarHBondContact O-CB 3.35Å; I380-A384 PolarHBondContact O-N 3.39Å; D381-A384 PolarHBondContact O-N 3.23Å; A384-L387 PolarHBondContact O-N 3.13Å; A384-S388 WeakPolarHBondContact O-CB 3.28Å; A384-S388 PolarHBondContact O-N 3.21Å |
| 385 | S | 90.6 | Very high | 89.1 | Confident | 86 Ų | 86 | 99 Ų | 99 | 60% | 0.601 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.4 | -44.8 | 173.7 | -170.2 | 0 | 0 | 0 | 0 | 112.3 | D381 R382 L383 S388 G389 | D381-S385 WeakPolarHBondContact O-CB 3.46Å; D381-S385 PolarHBondContact O-N 2.91Å; R382-S385 WeakPolarHBondContact O-CB 3.49Å; R382-S385 PolarHBondContact O-N 2.66Å; L383-S385 VanDerWaalsContact C-N 3.34Å; L383-S385 PolarHBondContact O-N 2.74Å; S385-S388 PolarHBondContact O-N 2.88Å; S385-G389 PolarHBondContact O-N 3.23Å |
| 386 | L | 89.6 | Confident | 89.3 | Confident | 107 Ų | 107 | 97.2 Ų | 97.2 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.1 | -41.7 | 177 | -73.4 | 168.1 | 0 | 0 | 0 | 112.7 | R382 L383 G389 K390 | R382-L386 WeakPolarHBondContact O-CG 3.23Å; R382-L386 PolarHBondContact O-N 2.89Å; L383-L386 PolarHBondContact O-N 3.18Å; L386-G389 WeakPolarHBondContact O-CA 3.41Å; L386-G389 PolarHBondContact O-N 2.97Å; L386-K390 PolarHBondContact O-N 3.03Å |
| 387 | L | 87 | Confident | 89.3 | Confident | 122 Ų | 122 | 99.6 Ų | 99.6 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -46.8 | 175.8 | -74.2 | 168 | 0 | 0 | 0 | 111.2 | L383 A384 G389 K390 E391 | L383-L387 WeakPolarHBondContact O-CB 3.35Å; L383-L387 VanDerWaalsContact O-CG 3.3Å; L383-L387 WeakPolarHBondContact O-CG 3.42Å; L383-L387 PolarHBondContact O-N 2.82Å; A384-L387 PolarHBondContact O-N 3.13Å; L387-G389 PolarHBondContact O-N 3.28Å; L387-K390 PolarHBondContact O-N 3.34Å; L387-E391 PolarHBondContact O-N 3.34Å |
| 388 | S | 88.9 | Confident | 89.3 | Confident | 38 Ų | 38 | 104.1 Ų | 104.1 | 27% | 0.266 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.6 | -36 | 173.4 | -174 | 0 | 0 | 0 | 0 | 111.8 | A384 S385 R392 | A384-S388 WeakPolarHBondContact O-CB 3.28Å; A384-S388 PolarHBondContact O-N 3.21Å; S385-S388 PolarHBondContact O-N 2.88Å; S388-R392 PolarHBondContact O-N 3.45Å; S388-R392 PolarHBondContact O-NH1 2.87Å; S388-R392 PolarHBondContact OG-NH1 2.79Å; S388-R392 PolarHBondContact OG-NH2 3.17Å; S388-R392 VanDerWaalsContact OG-NH2 3.17Å |
| 389 | G | 89.6 | Confident | 89.1 | Confident | 28 Ų | 28 | 105 Ų | 105 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S385 L386 L387 E391 R392 D393 | S385-G389 PolarHBondContact O-N 3.23Å; L386-G389 WeakPolarHBondContact O-CA 3.41Å; L386-G389 PolarHBondContact O-N 2.97Å; L387-G389 PolarHBondContact O-N 3.28Å; G389-E391 PolarHBondContact O-N 2.69Å; G389-R392 PolarHBondContact O-N 3.33Å; G389-D393 PolarHBondContact O-N 3.05Å; G389-D393 VanDerWaalsContact O-N 3.16Å |
| 390 | K | 89.6 | Confident | 89 | Confident | 130 Ų | 130 | 108.9 Ų | 108.9 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.3 | -30.2 | -180 | -70.8 | -70.8 | 149.8 | -148.9 | 0 | 113.9 | L386 L387 D393 L394 | L386-K390 PolarHBondContact O-N 3.03Å; L387-K390 PolarHBondContact O-N 3.34Å; K390-D393 IonicContact NZ-OD2 2.75Å; K390-D393 PolarHBondContact NZ-OD2 3Å; K390-D393 WeakPolarHBondContact O-CB 3.49Å; K390-D393 PolarHBondContact O-N 2.89Å; K390-L394 WeakPolarHBondContact O-CB 3.33Å; K390-L394 WeakPolarHBondContact O-CG 3.45Å; K390-L394 PolarHBondContact O-N 3.23Å |
| 391 | E | 91.2 | Very high | 88.8 | Confident | 129 Ų | 129 | 106.6 Ų | 106.6 | 60% | 0.603 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.6 | -45.1 | 172.2 | -174.4 | 177.1 | -153.2 | 0 | 0 | 111.4 | L387 G389 L394 Q395 | L387-E391 PolarHBondContact O-N 3.34Å; G389-E391 PolarHBondContact O-N 2.69Å; E391-L394 PolarHBondContact O-N 3.38Å; E391-Q395 PolarHBondContact O-N 2.82Å |
| 392 | R | 90.2 | Very high | 88.6 | Confident | 150 Ų | 150 | 104.8 Ų | 104.8 | 57% | 0.566 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 174.6 | -65.5 | -179.9 | -168 | 81.9 | 0.6 | 112.2 | S388 G389 L394 Q395 V396 | S388-R392 PolarHBondContact O-N 3.45Å; S388-R392 PolarHBondContact O-NH1 2.87Å; S388-R392 PolarHBondContact OG-NH1 2.79Å; S388-R392 PolarHBondContact OG-NH2 3.17Å; S388-R392 VanDerWaalsContact OG-NH2 3.17Å; G389-R392 PolarHBondContact O-N 3.33Å; R392-L394 PolarHBondContact O-N 3.04Å; R392-Q395 PolarHBondContact O-N 3.38Å; R392-V396 PolarHBondContact O-N 3.13Å; R392-V396 VanDerWaalsContact O-N 3.11Å |
| 393 | D | 88.8 | Confident | 88.2 | Confident | 67 Ų | 67 | 101.5 Ų | 101.5 | 36% | 0.358 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55.4 | -50.8 | 174.1 | -75.2 | -19.1 | 0 | 0 | 0 | 110.8 | G389 K390 Q395 V396 Y397 | G389-D393 PolarHBondContact O-N 3.05Å; G389-D393 VanDerWaalsContact O-N 3.16Å; K390-D393 IonicContact NZ-OD2 2.75Å; K390-D393 PolarHBondContact NZ-OD2 3Å; K390-D393 WeakPolarHBondContact O-CB 3.49Å; K390-D393 PolarHBondContact O-N 2.89Å; D393-Q395 VanDerWaalsContact C-N 3.3Å; D393-Q395 PolarHBondContact O-N 3.01Å; D393-V396 PolarHBondContact O-N 2.83Å; D393-Y397 HydrophobicContact CB-CE2 4.26Å; D393-Y397 WeakPolarHBondContact O-CD2 3.45Å; D393-Y397 PolarHBondContact O-N 2.8Å |
| 394 | L | 87.8 | Confident | 87.8 | Confident | 121 Ų | 121 | 99.1 Ų | 99.1 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.7 | -37.4 | 178.9 | -75.7 | 169.4 | 0 | 0 | 0 | 112.5 | K390 E391 R392 V396 Y397 R398 | K390-L394 WeakPolarHBondContact O-CB 3.33Å; K390-L394 WeakPolarHBondContact O-CG 3.45Å; K390-L394 PolarHBondContact O-N 3.23Å; E391-L394 PolarHBondContact O-N 3.38Å; R392-L394 PolarHBondContact O-N 3.04Å; L394-V396 VanDerWaalsContact C-N 3.34Å; L394-V396 PolarHBondContact O-N 3.43Å; L394-Y397 PolarHBondContact O-N 3.02Å; L394-R398 PolarHBondContact O-N 2.9Å |
| 395 | Q | 87.6 | Confident | 87.6 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 58% | 0.575 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.4 | -34.1 | 177.7 | -157 | 166.6 | 25.3 | 0 | 0 | 112.3 | E391 R392 D393 R398 Q399 | E391-Q395 PolarHBondContact O-N 2.82Å; R392-Q395 PolarHBondContact O-N 3.38Å; D393-Q395 VanDerWaalsContact C-N 3.3Å; D393-Q395 PolarHBondContact O-N 3.01Å; Q395-R398 PolarHBondContact O-N 3.14Å; Q395-Q399 WeakPolarHBondContact O-CG 3.37Å; Q395-Q399 PolarHBondContact O-N 3.48Å; Q395-Q399 VanDerWaalsContact O-N 3.11Å |
| 396 | V | 89.6 | Confident | 87.3 | Confident | 65 Ų | 65 | 106.1 Ų | 106.1 | 39% | 0.394 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 170.8 | 174.8 | 0 | 0 | 0 | 0 | 111.6 | R392 D393 L394 R398 Q399 R400 | R392-V396 PolarHBondContact O-N 3.13Å; R392-V396 VanDerWaalsContact O-N 3.11Å; D393-V396 PolarHBondContact O-N 2.83Å; L394-V396 VanDerWaalsContact C-N 3.34Å; L394-V396 PolarHBondContact O-N 3.43Å; V396-R398 VanDerWaalsContact C-N 3.34Å; V396-Q399 PolarHBondContact O-N 3.03Å; V396-R400 WeakPolarHBondContact O-CG 3.2Å; V396-R400 PolarHBondContact O-N 2.94Å |
| 397 | Y | 86.2 | Confident | 86.8 | Confident | 147 Ų | 147 | 106.2 Ų | 106.2 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -38.3 | 174 | -71 | -63.2 | 0 | 0 | 0 | 112.2 | D393 L394 R400 A401 | D393-Y397 HydrophobicContact CB-CE2 4.26Å; D393-Y397 WeakPolarHBondContact O-CD2 3.45Å; D393-Y397 PolarHBondContact O-N 2.8Å; L394-Y397 PolarHBondContact O-N 3.02Å; Y397-R400 PolarHBondContact O-N 3.31Å; Y397-A401 PolarHBondContact O-N 2.96Å |
| 398 | R | 87.7 | Confident | 86.5 | Confident | 176 Ų | 176 | 105.9 Ų | 105.9 | 66% | 0.664 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.3 | -51.6 | 173.7 | -177.5 | 177.9 | 176.6 | 173.8 | 2.2 | 111.8 | L394 Q395 V396 R400 A401 D402 | L394-R398 PolarHBondContact O-N 2.9Å; Q395-R398 PolarHBondContact O-N 3.14Å; V396-R398 VanDerWaalsContact C-N 3.34Å; R398-R400 PolarHBondContact O-N 2.99Å; R398-R400 VanDerWaalsContact O-N 3.16Å; R398-A401 WeakPolarHBondContact O-CA 3.4Å; R398-A401 WeakPolarHBondContact O-CB 3.45Å; R398-A401 PolarHBondContact O-N 3.32Å; R398-D402 PolarHBondContact O-N 2.96Å |
| 399 | Q | 87.6 | Confident | 86.1 | Confident | 124 Ų | 124 | 107.4 Ų | 107.4 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.6 | -34.5 | 177.7 | -72.7 | 175.2 | -4.2 | 0 | 0 | 112.9 | Q395 V396 E403 | Q395-Q399 WeakPolarHBondContact O-CG 3.37Å; Q395-Q399 PolarHBondContact O-N 3.48Å; Q395-Q399 VanDerWaalsContact O-N 3.11Å; V396-Q399 PolarHBondContact O-N 3.03Å; Q399-E403 WeakPolarHBondContact O-CB 3.33Å; Q399-E403 PolarHBondContact O-N 2.86Å; Q399-E403 VanDerWaalsContact O-N 3.12Å |
| 400 | R | 84.5 | Confident | 85.5 | Confident | 169 Ų | 169 | 108.5 Ų | 108.5 | 64% | 0.638 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.2 | -31.3 | 174.5 | -70.3 | 175.2 | 179.2 | -176.5 | 1.1 | 113.3 | V396 Y397 R398 A404 | V396-R400 WeakPolarHBondContact O-CG 3.2Å; V396-R400 PolarHBondContact O-N 2.94Å; Y397-R400 PolarHBondContact O-N 3.31Å; R398-R400 PolarHBondContact O-N 2.99Å; R398-R400 VanDerWaalsContact O-N 3.16Å; R400-A404 WeakPolarHBondContact O-CB 3.47Å; R400-A404 PolarHBondContact O-N 3.01Å; R400-A404 VanDerWaalsContact O-N 3.09Å |
| 401 | A | 85.8 | Confident | 85 | Confident | 56 Ų | 56 | 105.8 Ų | 105.8 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.4 | -46.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y397 R398 E403 A404 E405 | Y397-A401 PolarHBondContact O-N 2.96Å; R398-A401 WeakPolarHBondContact O-CA 3.4Å; R398-A401 WeakPolarHBondContact O-CB 3.45Å; R398-A401 PolarHBondContact O-N 3.32Å; A401-E403 PolarHBondContact O-N 3.32Å; A401-A404 WeakPolarHBondContact O-CB 3.42Å; A401-A404 PolarHBondContact O-N 3.13Å; A401-A404 VanDerWaalsContact O-N 3.08Å; A401-E405 PolarHBondContact O-N 3.26Å |
| 402 | D | 87.2 | Confident | 84.2 | Confident | 62 Ų | 62 | 102.8 Ų | 102.8 | 33% | 0.332 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.7 | -40.3 | 176 | -55.3 | -23.6 | 0 | 0 | 0 | 110.9 | R398 E405 R406 | R398-D402 PolarHBondContact O-N 2.96Å; D402-E405 PolarHBondContact O-N 3.16Å; D402-R406 PolarHBondContact O-N 3.49Å; D402-R406 VanDerWaalsContact O-N 3.1Å |
| 403 | E | 83.4 | Confident | 83.4 | Confident | 87 Ų | 87 | 101.2 Ų | 101.2 | 41% | 0.407 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -74.9 | -33.2 | 177.4 | -166.7 | 57.8 | -155.5 | 0 | 0 | 113.3 | Q399 A401 E405 R406 M407 | Q399-E403 WeakPolarHBondContact O-CB 3.33Å; Q399-E403 PolarHBondContact O-N 2.86Å; Q399-E403 VanDerWaalsContact O-N 3.12Å; A401-E403 PolarHBondContact O-N 3.32Å; E403-E405 VanDerWaalsContact C-N 3.32Å; E403-R406 PolarHBondContact O-N 3.39Å; E403-R406 WeakPolarHBondContact OE2-CD 3.41Å; E403-R406 IonicContact OE2-CZ 3.77Å; E403-R406 IonicContact OE2-NH1 3.62Å; E403-R406 PolarHBondContact OE2-NH1 2.98Å; E403-M407 PolarHBondContact O-N 2.87Å |
| 404 | A | 81.9 | Confident | 82.8 | Confident | 39 Ų | 39 | 102.2 Ų | 102.2 | 32% | 0.322 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R400 A401 M407 L408 | R400-A404 WeakPolarHBondContact O-CB 3.47Å; R400-A404 PolarHBondContact O-N 3.01Å; R400-A404 VanDerWaalsContact O-N 3.09Å; A401-A404 WeakPolarHBondContact O-CB 3.42Å; A401-A404 PolarHBondContact O-N 3.13Å; A401-A404 VanDerWaalsContact O-N 3.08Å; A404-M407 HydrophobicContact CB-CE 4.49Å; A404-M407 PolarHBondContact O-N 3.18Å; A404-L408 WeakPolarHBondContact O-CG 3.38Å; A404-L408 PolarHBondContact O-N 3.24Å |
| 405 | E | 85.3 | Confident | 81.9 | Confident | 128 Ų | 128 | 102.8 Ų | 102.8 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.9 | -38 | 174.3 | -171.8 | 169.5 | -157.4 | 0 | 0 | 112.2 | A401 D402 E403 L408 T409 | A401-E405 PolarHBondContact O-N 3.26Å; D402-E405 PolarHBondContact O-N 3.16Å; E403-E405 VanDerWaalsContact C-N 3.32Å; E405-L408 PolarHBondContact O-N 3.46Å; E405-T409 WeakPolarHBondContact O-CB 3.46Å; E405-T409 PolarHBondContact O-N 3.49Å; E405-T409 PolarHBondContact O-OG1 3.36Å |
| 406 | R | 83.6 | Confident | 81.1 | Confident | 160 Ų | 160 | 101.9 Ų | 101.9 | 60% | 0.604 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -58.9 | -47.5 | 169 | -72.4 | -165.2 | -175.1 | 99.7 | 9.2 | 112.1 | D402 E403 L408 T409 L410 | D402-R406 PolarHBondContact O-N 3.49Å; D402-R406 VanDerWaalsContact O-N 3.1Å; E403-R406 PolarHBondContact O-N 3.39Å; E403-R406 WeakPolarHBondContact OE2-CD 3.41Å; E403-R406 IonicContact OE2-CZ 3.77Å; E403-R406 IonicContact OE2-NH1 3.62Å; E403-R406 PolarHBondContact OE2-NH1 2.98Å; R406-L408 PolarHBondContact O-N 2.92Å; R406-T409 WeakPolarHBondContact O-CB 3.17Å; R406-T409 PolarHBondContact O-N 2.99Å; R406-L410 PolarHBondContact O-N 2.85Å |
| 407 | M | 79.5 | Confident | 80.2 | Confident | 109 Ų | 109 | 102.6 Ų | 102.6 | 54% | 0.537 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -42 | 178.4 | -72.4 | -171.8 | -72.7 | 0 | 0 | 112.1 | E403 A404 L410 I411 | E403-M407 PolarHBondContact O-N 2.87Å; A404-M407 HydrophobicContact CB-CE 4.49Å; A404-M407 PolarHBondContact O-N 3.18Å; M407-L410 PolarHBondContact O-N 3.46Å; M407-I411 WeakPolarHBondContact O-CD1 3.41Å; M407-I411 VanDerWaalsContact O-CG1 3.28Å; M407-I411 WeakPolarHBondContact O-CG1 3.28Å; M407-I411 PolarHBondContact O-N 3.09Å |
| 408 | L | 79.9 | Confident | 79.4 | Confident | 115 Ų | 115 | 98.1 Ų | 98.1 | 60% | 0.602 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 175 | -72.7 | 169.4 | 0 | 0 | 0 | 112.6 | A404 E405 R406 L410 I411 S412 | A404-L408 WeakPolarHBondContact O-CG 3.38Å; A404-L408 PolarHBondContact O-N 3.24Å; E405-L408 PolarHBondContact O-N 3.46Å; R406-L408 PolarHBondContact O-N 2.92Å; L408-L410 VanDerWaalsContact C-N 3.34Å; L408-I411 HydrophobicContact CD2-CD1 4.35Å; L408-I411 PolarHBondContact O-N 3.23Å; L408-S412 PolarHBondContact O-N 2.9Å |
| 409 | T | 81.1 | Confident | 78.4 | Confident | 71 Ų | 71 | 92 Ų | 92 | 44% | 0.436 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 174.1 | -58.1 | 0 | 0 | 0 | 0 | 111 | E405 R406 S412 Q413 | E405-T409 WeakPolarHBondContact O-CB 3.46Å; E405-T409 PolarHBondContact O-N 3.49Å; E405-T409 PolarHBondContact O-OG1 3.36Å; R406-T409 WeakPolarHBondContact O-CB 3.17Å; R406-T409 PolarHBondContact O-N 2.99Å; T409-S412 WeakPolarHBondContact O-CB 3.5Å; T409-S412 PolarHBondContact O-N 3.22Å; T409-Q413 WeakPolarHBondContact O-CG 3.16Å; T409-Q413 PolarHBondContact O-N 3.13Å |
| 410 | L | 77.3 | Confident | 77.3 | Confident | 50 Ų | 50 | 89.1 Ų | 89.1 | 26% | 0.262 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 177.5 | -154 | 111.6 | 0 | 0 | 0 | 111.9 | R406 M407 L408 S412 Q413 W414 P461 | R406-L410 PolarHBondContact O-N 2.85Å; M407-L410 PolarHBondContact O-N 3.46Å; L408-L410 VanDerWaalsContact C-N 3.34Å; L410-S412 VanDerWaalsContact C-N 3.33Å; L410-S412 PolarHBondContact O-N 3.49Å; L410-Q413 PolarHBondContact O-N 2.96Å; L410-W414 PolarHBondContact O-N 3.25Å; L410-P461 HydrophobicContact CD1-CG 4.15Å; L410-P461 HydrophobicContact CD2-CG 3.82Å |
| 411 | I | 79.1 | Confident | 76.1 | Confident | 74 Ų | 74 | 83 Ų | 83 | 38% | 0.379 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -57.1 | -46.6 | 172.1 | -71.3 | 158.6 | 0 | 0 | 0 | 110.9 | M407 L408 Q413 W414 H415 W471 | M407-I411 WeakPolarHBondContact O-CD1 3.41Å; M407-I411 VanDerWaalsContact O-CG1 3.28Å; M407-I411 WeakPolarHBondContact O-CG1 3.28Å; M407-I411 PolarHBondContact O-N 3.09Å; L408-I411 HydrophobicContact CD2-CD1 4.35Å; L408-I411 PolarHBondContact O-N 3.23Å; I411-Q413 PolarHBondContact O-N 3.19Å; I411-W414 PolarHBondContact O-N 3.49Å; I411-H415 PolarHBondContact O-N 3.08Å; I411-W471 HydrophobicContact CB-CH2 4.4Å; I411-W471 HydrophobicContact CD1-CZ2 4.27Å; I411-W471 HydrophobicContact CG1-CH2 3.61Å; I411-W471 HydrophobicContact CG1-CZ2 3.5Å |
| 412 | S | 73 | Confident | 74.5 | Confident | 66 Ų | 66 | 86.5 Ų | 86.5 | 46% | 0.462 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 178.5 | -174.1 | 0 | 0 | 0 | 0 | 112.2 | L408 T409 L410 H415 N416 | L408-S412 PolarHBondContact O-N 2.9Å; T409-S412 WeakPolarHBondContact O-CB 3.5Å; T409-S412 PolarHBondContact O-N 3.22Å; L410-S412 VanDerWaalsContact C-N 3.33Å; L410-S412 PolarHBondContact O-N 3.49Å; S412-H415 PolarHBondContact O-N 3.29Å; S412-N416 PolarHBondContact O-N 3.44Å; S412-N416 VanDerWaalsContact O-N 3.08Å; S412-N416 PolarHBondContact O-ND2 3.38Å |
| 413 | Q | 74.9 | Confident | 72.6 | Confident | 116 Ų | 116 | 87.3 Ų | 87.3 | 54% | 0.542 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 175.2 | -69.7 | 174.4 | 8.2 | 0 | 0 | 111.9 | T409 L410 I411 H415 N416 V417 | T409-Q413 WeakPolarHBondContact O-CG 3.16Å; T409-Q413 PolarHBondContact O-N 3.13Å; L410-Q413 PolarHBondContact O-N 2.96Å; I411-Q413 PolarHBondContact O-N 3.19Å; Q413-H415 VanDerWaalsContact C-N 3.33Å; Q413-H415 PolarHBondContact O-N 2.92Å; Q413-N416 PolarHBondContact O-N 3.46Å; Q413-V417 WeakPolarHBondContact O-CG2 3.48Å; Q413-V417 PolarHBondContact O-N 2.9Å; Q413-V417 VanDerWaalsContact O-N 3.11Å |
| 414 | W | 75.5 | Confident | 71 | Confident | 88 Ų | 88 | 89.3 Ų | 89.3 | 33% | 0.333 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 175.4 | -89.2 | 85.8 | 0 | 0 | 0 | 112.6 | L410 I411 N416 V417 I418 P460 W471 | L410-W414 PolarHBondContact O-N 3.25Å; I411-W414 PolarHBondContact O-N 3.49Å; W414-N416 VanDerWaalsContact C-N 3.34Å; W414-N416 PolarHBondContact O-N 3.14Å; W414-V417 PolarHBondContact O-N 3.49Å; W414-I418 WeakPolarHBondContact O-CG1 3.28Å; W414-I418 PolarHBondContact O-N 3.45Å; W414-P460 HydrophobicContact CZ2-CB 4.05Å; W414-P460 HydrophobicContact CZ2-CG 4.46Å; W414-W471 HydrophobicContact CG-CZ3 4.48Å |
| 415 | H | 69.5 | Low | 69.3 | Low | 134 Ų | 134 | 91.5 Ų | 91.5 | 62% | 0.62 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.9 | -39.4 | 179.6 | -148.1 | -120.2 | 0 | 0 | 0 | 112 | I411 S412 Q413 I418 A419 | I411-H415 PolarHBondContact O-N 3.08Å; S412-H415 PolarHBondContact O-N 3.29Å; Q413-H415 VanDerWaalsContact C-N 3.33Å; Q413-H415 PolarHBondContact O-N 2.92Å; H415-I418 PolarHBondContact O-N 3.04Å; H415-A419 WeakPolarHBondContact O-CB 3.34Å; H415-A419 PolarHBondContact O-N 2.89Å |
| 416 | N | 69.9 | Low | 67.3 | Low | 103 Ų | 103 | 91.2 Ų | 91.2 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 175.3 | -72.7 | -52.2 | 0 | 0 | 0 | 113 | S412 Q413 W414 A419 S420 | S412-N416 PolarHBondContact O-N 3.44Å; S412-N416 VanDerWaalsContact O-N 3.08Å; S412-N416 PolarHBondContact O-ND2 3.38Å; Q413-N416 PolarHBondContact O-N 3.46Å; W414-N416 VanDerWaalsContact C-N 3.34Å; W414-N416 PolarHBondContact O-N 3.14Å; N416-A419 PolarHBondContact O-N 3.24Å; N416-S420 WeakPolarHBondContact O-CB 3.23Å; N416-S420 PolarHBondContact O-N 3.49Å |
| 417 | V | 70.9 | Confident | 65.2 | Low | 80 Ų | 80 | 89.9 Ų | 89.9 | 49% | 0.485 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 174.2 | 172.3 | 0 | 0 | 0 | 0 | 111 | Q413 W414 S420 A421 | Q413-V417 WeakPolarHBondContact O-CG2 3.48Å; Q413-V417 PolarHBondContact O-N 2.9Å; Q413-V417 VanDerWaalsContact O-N 3.11Å; W414-V417 PolarHBondContact O-N 3.49Å; V417-S420 PolarHBondContact O-N 3.28Å; V417-A421 PolarHBondContact O-N 2.9Å |
| 418 | I | 70.4 | Confident | 63.4 | Low | 53 Ų | 53 | 93 Ų | 93 | 27% | 0.272 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -41 | 178.2 | -66.7 | 166.9 | 0 | 0 | 0 | 111.2 | W414 H415 A421 R422 L475 | W414-I418 WeakPolarHBondContact O-CG1 3.28Å; W414-I418 PolarHBondContact O-N 3.45Å; H415-I418 PolarHBondContact O-N 3.04Å; I418-A421 PolarHBondContact O-N 3.13Å; I418-R422 PolarHBondContact O-N 2.88Å; I418-R422 VanDerWaalsContact O-N 3.12Å; I418-L475 HydrophobicContact CD1-CD2 3.48Å; I418-L475 VanDerWaalsContact CD1-CD2 3.48Å |
| 419 | A | 66 | Low | 61.6 | Low | 48 Ų | 48 | 91.9 Ų | 91.9 | 40% | 0.397 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H415 N416 A421 R422 C423 | H415-A419 WeakPolarHBondContact O-CB 3.34Å; H415-A419 PolarHBondContact O-N 2.89Å; N416-A419 PolarHBondContact O-N 3.24Å; A419-A421 PolarHBondContact O-N 3.42Å; A419-R422 PolarHBondContact O-N 3.01Å; A419-C423 PolarHBondContact O-N 2.72Å; A419-C423 VanDerWaalsContact O-N 3.12Å; A419-C423 PolarHBondContact O-SG 2.96Å |
| 420 | S | 65.4 | Low | 59.3 | Low | 63 Ų | 63 | 91.5 Ų | 91.5 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.8 | -171.1 | 0 | 0 | 0 | 0 | 112.3 | N416 V417 R422 C423 Q424 | N416-S420 WeakPolarHBondContact O-CB 3.23Å; N416-S420 PolarHBondContact O-N 3.49Å; V417-S420 PolarHBondContact O-N 3.28Å; S420-R422 VanDerWaalsContact C-N 3.32Å; S420-R422 PolarHBondContact O-N 2.98Å; S420-C423 PolarHBondContact O-N 3.19Å; S420-C423 VanDerWaalsContact O-N 3.13Å; S420-Q424 PolarHBondContact O-N 2.76Å; S420-Q424 VanDerWaalsContact O-N 3.16Å |
| 421 | A | 58 | Low | 57 | Low | 41 Ų | 41 | 97.2 Ų | 97.2 | 34% | 0.339 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.2 | -34.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V417 I418 A419 T425 | V417-A421 PolarHBondContact O-N 2.9Å; I418-A421 PolarHBondContact O-N 3.13Å; A419-A421 PolarHBondContact O-N 3.42Å; A421-T425 PolarHBondContact O-N 3.3Å; A421-T425 PolarHBondContact O-OG1 2.99Å |
| 422 | R | 53 | Low | 54.8 | Low | 130 Ų | 130 | 100.3 Ų | 100.3 | 49% | 0.491 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67 | -34.3 | 172.7 | -75.7 | -177.6 | 170.9 | -174.3 | -3.8 | 112.6 | I418 A419 S420 T425 D479 | I418-R422 PolarHBondContact O-N 2.88Å; I418-R422 VanDerWaalsContact O-N 3.12Å; A419-R422 PolarHBondContact O-N 3.01Å; S420-R422 VanDerWaalsContact C-N 3.32Å; S420-R422 PolarHBondContact O-N 2.98Å; R422-T425 PolarHBondContact O-OG1 3.49Å; R422-D479 IonicContact CZ-OD1 2.85Å; R422-D479 VanDerWaalsContact CZ-OD1 3.32Å; R422-D479 IonicContact NH1-OD1 3.7Å; R422-D479 PolarHBondContact NH1-OD1 3.37Å; R422-D479 IonicContact NH2-OD1 3.06Å; R422-D479 PolarHBondContact NH2-OD1 3.18Å; R422-D479 IonicContact NH2-OD2 3.51Å |
| 423 | C | 48.1 | Very low | 52.6 | Low | 79 Ų | 79 | 104.8 Ų | 104.8 | 53% | 0.534 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.9 | -39.1 | 175.7 | -68.1 | 0 | 0 | 0 | 0 | 112.7 | A419 S420 T425 I426 | A419-C423 PolarHBondContact O-N 2.72Å; A419-C423 VanDerWaalsContact O-N 3.12Å; A419-C423 PolarHBondContact O-SG 2.96Å; S420-C423 PolarHBondContact O-N 3.19Å; S420-C423 VanDerWaalsContact O-N 3.13Å; C423-T425 PolarHBondContact O-N 2.85Å; C423-I426 PolarHBondContact O-N 3.21Å |
| 424 | Q | 48.5 | Very low | 50.7 | Low | 129 Ų | 129 | 106 Ų | 106 | 60% | 0.603 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.7 | -36 | -179.2 | -68.3 | -178.2 | 4.4 | 0 | 0 | 113.1 | S420 I426 N427 | S420-Q424 PolarHBondContact O-N 2.76Å; S420-Q424 VanDerWaalsContact O-N 3.16Å; Q424-I426 VanDerWaalsContact C-N 3.32Å; Q424-I426 PolarHBondContact O-N 3.32Å; Q424-N427 PolarHBondContact O-N 3.43Å |
| 425 | T | 46.6 | Very low | 48.5 | Very low | 84 Ų | 84 | 107.2 Ų | 107.2 | 52% | 0.515 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -70.6 | -23.9 | 179.5 | 32.7 | 0 | 0 | 0 | 0 | 113.7 | A421 R422 C423 | A421-T425 PolarHBondContact O-N 3.3Å; A421-T425 PolarHBondContact O-OG1 2.99Å; R422-T425 PolarHBondContact O-OG1 3.49Å; C423-T425 PolarHBondContact O-N 2.85Å |
| 426 | I | 43 | Very low | 46.7 | Very low | 123 Ų | 123 | 108 Ų | 108 | 63% | 0.631 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -72.2 | -39.7 | 174.3 | -67.2 | 169.6 | 0 | 0 | 0 | 111 | C423 Q424 Q428 A429 | C423-I426 PolarHBondContact O-N 3.21Å; Q424-I426 VanDerWaalsContact C-N 3.32Å; Q424-I426 PolarHBondContact O-N 3.32Å; I426-Q428 VanDerWaalsContact C-N 3.3Å; I426-Q428 PolarHBondContact O-N 2.94Å; I426-A429 PolarHBondContact O-N 3.04Å |
| 427 | N | 39.7 | Very low | 44.7 | Very low | 132 Ų | 132 | 105.6 Ų | 105.6 | 71% | 0.706 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -70 | -23 | -176.9 | -71.2 | -14.7 | 0 | 0 | 0 | 113.7 | Q424 | Q424-N427 PolarHBondContact O-N 3.43Å |
| 428 | Q | 41.8 | Very low | 42.8 | Very low | 173 Ų | 173 | 109 Ų | 109 | 81% | 0.808 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -15.7 | 176.2 | -68.7 | -174.5 | -10.8 | 0 | 0 | 113.7 | I426 G430 | I426-Q428 VanDerWaalsContact C-N 3.3Å; I426-Q428 PolarHBondContact O-N 2.94Å; Q428-G430 VanDerWaalsContact C-N 3.32Å |
| 429 | A | 42.2 | Very low | 40.7 | Very low | 92 Ų | 92 | 113.9 Ų | 113.9 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | -0.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | I426 | I426-A429 PolarHBondContact O-N 3.04Š|
| 430 | G | 33.3 | Very low | 39.4 | Very low | 64 Ų | 64 | 116.9 Ų | 116.9 | 66% | 0.66 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -98.1 | -5.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q428 | Q428-G430 VanDerWaalsContact C-N 3.32Š|
| 431 | M | 27.9 | Very low | 37.6 | Very low | 169 Ų | 169 | 120.8 Ų | 120.8 | 83% | 0.833 | 71% | 0.705 | S | S | * | * | trans | -131.3 | 89.6 | -172.6 | -72.3 | -170.2 | 71.5 | 0 | 0 | 114.1 | ||||
| 432 | T | 32.7 | Very low | 36.2 | Very low | 140 Ų | 140 | 126.5 Ų | 126.5 | 86% | 0.859 | 72% | 0.724 | S | S | * | * | 179.7 | 125.6 | 124.8 | 22.6 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 433 | I | 27.9 | Very low | 34.8 | Very low | 159 Ų | 159 | 126.9 Ų | 126.9 | 82% | 0.815 | 74% | 0.735 | S | S | * | * | trans | -128.4 | 106.5 | 163.5 | -60.5 | 178.1 | 0 | 0 | 0 | 107.6 | ||||
| 434 | V | 33.7 | Very low | 33.7 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 87% | 0.867 | 74% | 0.739 | S | S | * | * | trans | -135 | 142.4 | 159.6 | -176.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 435 | T | 29.8 | Very low | 32.5 | Very low | 113 Ų | 113 | 128.5 Ų | 128.5 | 69% | 0.693 | 75% | 0.749 | S | S | * | * | trans | -106.8 | 173.2 | -163.9 | 47.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 436 | V | 32.8 | Very low | 31.6 | Very low | 149 Ų | 149 | 132.8 Ų | 132.8 | 90% | 0.903 | 76% | 0.763 | S | S | * | * | trans | 77.9 | 130.8 | 178 | -166.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 437 | G | 26.5 | Very low | 30.9 | Very low | 54 Ų | 54 | 132.9 Ų | 132.9 | 56% | 0.557 | 77% | 0.77 | S | S | * | * | cis | 168 | 155.6 | -9.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 438 | T | 30.8 | Very low | 30.3 | Very low | 150 Ų | 150 | 132.4 Ų | 132.4 | 92% | 0.92 | 77% | 0.774 | S | S | * | * | trans | 72 | 153.8 | 175.4 | 67.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 439 | N | 27.9 | Very low | 29.6 | Very low | 157 Ų | 157 | 129.5 Ų | 129.5 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -131 | 175.1 | -174.4 | -84.3 | -19.4 | 0 | 0 | 0 | 108 | ||||
| 440 | P | 38 | Very low | 28.8 | Very low | 110 Ų | 110 | 130.5 Ų | 130.5 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | cis | -136.2 | -164.4 | -7.9 | 23.5 | 3.3 | 0 | 0 | 0 | 114.7 | ||||
| 441 | I | 26.7 | Very low | 28.6 | Very low | 146 Ų | 146 | 133 Ų | 133 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | 113.1 | 127.3 | 146.1 | -57.6 | 177.1 | 0 | 0 | 0 | 118.3 | ||||
| 442 | H | 29 | Very low | 28.6 | Very low | 160 Ų | 160 | 128.8 Ų | 128.8 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | trans | 64.7 | 133.9 | 169 | -91.2 | -122.4 | 0 | 0 | 0 | 118 | ||||
| 443 | L | 24.9 | Very low | 28.5 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | 68.4 | 120.9 | 52.2 | -73.3 | 161.4 | 0 | 0 | 0 | 112.5 | |||||
| 444 | S | 24.3 | Very low | 28.5 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 62% | 0.622 | 77% | 0.766 | S | S | * | * | cis | -149 | 173.6 | 12.5 | -58.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 445 | D | 23.7 | Very low | 28.5 | Very low | 154 Ų | 154 | 128 Ų | 128 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | 49 | 108.4 | 154.5 | -54.5 | -24.8 | 0 | 0 | 0 | 120.6 | ||||
| 446 | E | 27.5 | Very low | 28.8 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | -165.6 | 163.9 | 127.3 | -106.4 | -61.4 | 159.8 | 0 | 0 | 109.1 | |||||
| 447 | T | 27.6 | Very low | 28.8 | Very low | 125 Ų | 125 | 129.2 Ų | 129.2 | 77% | 0.767 | 75% | 0.75 | S | S | * | * | trans | -79.9 | 149.2 | -169 | 60.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 448 | P | 28.1 | Very low | 29.2 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | trans | -125.1 | 147.9 | 139.2 | 36 | -29.3 | 0 | 0 | 0 | 112.7 | ||||
| 449 | S | 27.2 | Very low | 29.5 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | -66.3 | 148.5 | -176.2 | 45.3 | 0 | 0 | 0 | 0 | 114 | S451 | S449-S451 PolarHBondContact O-N 3.34Å; S449-S451 VanDerWaalsContact O-N 3.09Å | ||
| 450 | S | 25.3 | Very low | 30.2 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 78% | 0.783 | 72% | 0.718 | S | S | * | * | trans | -65.6 | 104.9 | 166.1 | 43.4 | 0 | 0 | 0 | 0 | 110.3 | S452 | S450-S452 PolarHBondContact O-N 2.93Š| ||
| 451 | S | 28.7 | Very low | 30.4 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | trans | -70.9 | 77.9 | 169.2 | 60.2 | 0 | 0 | 0 | 0 | 110.3 | S449 L453 | S449-S451 PolarHBondContact O-N 3.34Å; S449-S451 VanDerWaalsContact O-N 3.09Å; S451-L453 PolarHBondContact O-N 3.4Å | ||
| 452 | S | 27.4 | Very low | 31.3 | Very low | 82 Ų | 82 | 122.1 Ų | 122.1 | 57% | 0.573 | 69% | 0.685 | S | S | * | * | trans | -54.6 | 131.6 | 172.4 | 52.9 | 0 | 0 | 0 | 0 | 110.8 | S450 N454 | S450-S452 PolarHBondContact O-N 2.93Å; S452-N454 PolarHBondContact O-N 3.39Å | ||
| 453 | L | 29.9 | Very low | 32.1 | Very low | 157 Ų | 157 | 125 Ų | 125 | 82% | 0.822 | 70% | 0.696 | S | S | * | * | trans | -63.9 | 95 | 173.1 | -74.7 | 166.3 | 0 | 0 | 0 | 110 | S451 L455 | S451-L453 PolarHBondContact O-N 3.4Å; L453-L455 PolarHBondContact O-N 2.99Å | ||
| 454 | N | 28 | Very low | 33.8 | Very low | 148 Ų | 148 | 120.3 Ų | 120.3 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | trans | -71 | 79.7 | 171.3 | -83.5 | -31.8 | 0 | 0 | 0 | 110.1 | S452 | S452-N454 PolarHBondContact O-N 3.39Š| ||
| 455 | L | 34.8 | Very low | 35.4 | Very low | 119 Ų | 119 | 122.7 Ų | 122.7 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | trans | -59.9 | 132.6 | 157.6 | -77.4 | 162.3 | 0 | 0 | 0 | 108.5 | L453 | L453-L455 PolarHBondContact O-N 2.99Š| ||
| 456 | P | 35.1 | Very low | 37.5 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | trans | -57.2 | 141.7 | 178.6 | -26.2 | 35.1 | 0 | 0 | 0 | 112.3 | M458 | P456-M458 PolarHBondContact O-N 3.28Š| ||
| 457 | F | 33.6 | Very low | 38.9 | Very low | 178 Ų | 178 | 116.8 Ų | 116.8 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | trans | -67.8 | 91.9 | -174.3 | -171.6 | -90.3 | 0 | 0 | 0 | 111.8 | Q459 | F457-Q459 HydrophobicContact CE1-CG 4.02Å; F457-Q459 HydrophobicContact CZ-CG 4.09Å | ||
| 458 | M | 34.9 | Very low | 40.4 | Very low | 147 Ų | 147 | 115.1 Ų | 115.1 | 72% | 0.724 | 63% | 0.632 | S | S | * | * | trans | -118.9 | 108.2 | 167.9 | -74.7 | -94.8 | 70.7 | 0 | 0 | 108.8 | P456 P460 | P456-M458 PolarHBondContact O-N 3.28Å; M458-P460 WeakPolarHBondContact O-CD 3.36Å | ||
| 459 | Q | 37.7 | Very low | 42.4 | Very low | 151 Ų | 151 | 115.7 Ų | 115.7 | 71% | 0.706 | 62% | 0.622 | S | S | * | * | trans | -68.5 | 125.1 | 172.2 | -73.9 | -177.7 | -36.2 | 0 | 0 | 109.5 | F457 | F457-Q459 HydrophobicContact CE1-CG 4.02Å; F457-Q459 HydrophobicContact CZ-CG 4.09Å | ||
| 460 | P | 41.4 | Very low | 44.2 | Very low | 34 Ų | 34 | 119.4 Ų | 119.4 | 22% | 0.221 | 62% | 0.618 | C | S | . | * | trans | -72.5 | 153.8 | 170 | 32.1 | -35 | 0 | 0 | 0 | 110.3 | W414 M458 F462 | W414-P460 HydrophobicContact CZ2-CB 4.05Å; W414-P460 HydrophobicContact CZ2-CG 4.46Å; M458-P460 WeakPolarHBondContact O-CD 3.36Å; P460-F462 HydrophobicContact CB-CD2 3.65Å; P460-F462 HydrophobicContact CB-CE2 3.76Å; P460-F462 HydrophobicContact CG-CD2 3.81Å; P460-F462 HydrophobicContact CG-CE2 4.3Å; P460-F462 PolarHBondContact O-N 3.41Å | ||
| 461 | P | 43 | Very low | 46.1 | Very low | 83 Ų | 83 | 117.7 Ų | 117.7 | 54% | 0.539 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -78 | 61.2 | -177 | 34.3 | -36.9 | 0 | 0 | 0 | 112.1 | L410 | L410-P461 HydrophobicContact CD1-CG 4.15Å; L410-P461 HydrophobicContact CD2-CG 3.82Å |
| 462 | F | 44.5 | Very low | 48 | Very low | 53 Ų | 53 | 118.4 Ų | 118.4 | 23% | 0.232 | 59% | 0.585 | C | S | . | * | trans | -122.9 | 117.7 | 178.6 | -58.9 | -48 | 0 | 0 | 0 | 110.8 | P460 S464 D467 W471 | P460-F462 HydrophobicContact CB-CD2 3.65Å; P460-F462 HydrophobicContact CB-CE2 3.76Å; P460-F462 HydrophobicContact CG-CD2 3.81Å; P460-F462 HydrophobicContact CG-CE2 4.3Å; P460-F462 PolarHBondContact O-N 3.41Å; F462-S464 PolarHBondContact O-N 3.18Å; F462-D467 HydrophobicContact CB-CB 4.03Å; F462-D467 HydrophobicContact CG-CB 4.32Å; F462-W471 AromaticContact CE2-CD1 3.89Å; F462-W471 AromaticContact CE2-CD2 4Å; F462-W471 HydrophobicContact CE2-CD2 4Å; F462-W471 AromaticContact CE2-CE2 3.98Å; F462-W471 AromaticContact CE2-CG 3.95Å; F462-W471 HydrophobicContact CE2-CG 3.95Å; F462-W471 AromaticContact CE2-NE1 3.93Å; F462-W471 AromaticContact CZ-CD1 3.7Å; F462-W471 HydrophobicContact CZ-CD2 4.09Å; F462-W471 AromaticContact CZ-CE2 3.59Å; F462-W471 HydrophobicContact CZ-CG 4.16Å; F462-W471 HydrophobicContact CZ-CZ2 4.06Å; F462-W471 AromaticContact CZ-NE1 3.34Å; F462-W471 VanDerWaalsContact CZ-NE1 3.34Å | ||
| 463 | F | 46.1 | Very low | 50 | Low | 219 Ų | 219 | 118.7 Ų | 118.7 | 96% | 0.961 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -77.8 | 3.7 | -174 | -78.4 | -87.9 | 0 | 0 | 0 | 114.6 | ||
| 464 | S | 60.2 | Low | 51.9 | Low | 40 Ų | 40 | 113 Ų | 113 | 28% | 0.28 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -138.7 | 151.9 | 174.1 | 89.9 | 0 | 0 | 0 | 0 | 113.9 | F462 L466 D467 | F462-S464 PolarHBondContact O-N 3.18Å; S464-L466 PolarHBondContact O-N 3.18Å; S464-L466 WeakPolarHBondContact OG-CB 3.09Å; S464-L466 PolarHBondContact OG-N 2.98Å; S464-D467 WeakPolarHBondContact CB-OD2 3.22Å; S464-D467 PolarHBondContact O-N 2.99Å; S464-D467 VanDerWaalsContact OG-CG 3.24Å; S464-D467 PolarHBondContact OG-N 3.15Å; S464-D467 VanDerWaalsContact OG-N 3.07Å; S464-D467 PolarHBondContact OG-OD2 2.79Å |
| 465 | E | 59.3 | Low | 53.7 | Low | 139 Ų | 139 | 109.1 Ų | 109.1 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.9 | -32.7 | 167.1 | -80 | -71.5 | 104.3 | 0 | 0 | 112.3 | K468 K469 | E465-K468 PolarHBondContact O-N 3.22Å; E465-K468 IonicContact OE1-NZ 2.68Å; E465-K468 PolarHBondContact OE1-NZ 3.32Å; E465-K469 PolarHBondContact O-N 3.34Å; E465-K469 VanDerWaalsContact O-N 3.11Å |
| 466 | L | 67.9 | Low | 55.4 | Low | 138 Ų | 138 | 107.6 Ų | 107.6 | 72% | 0.723 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.5 | -40.8 | -176.7 | -151.8 | 80.8 | 0 | 0 | 0 | 111.2 | S464 K469 R470 | S464-L466 PolarHBondContact O-N 3.18Å; S464-L466 WeakPolarHBondContact OG-CB 3.09Å; S464-L466 PolarHBondContact OG-N 2.98Å; L466-K469 PolarHBondContact O-N 3.2Å; L466-R470 VanDerWaalsContact O-CB 3.31Å; L466-R470 WeakPolarHBondContact O-CB 3.37Å; L466-R470 PolarHBondContact O-N 2.67Å |
| 467 | D | 56 | Low | 57 | Low | 66 Ų | 66 | 106.2 Ų | 106.2 | 35% | 0.353 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.5 | -44.3 | 178.2 | -63.3 | -54.7 | 0 | 0 | 0 | 111.3 | F462 S464 K469 R470 W471 | F462-D467 HydrophobicContact CB-CB 4.03Å; F462-D467 HydrophobicContact CG-CB 4.32Å; S464-D467 WeakPolarHBondContact CB-OD2 3.22Å; S464-D467 PolarHBondContact O-N 2.99Å; S464-D467 VanDerWaalsContact OG-CG 3.24Å; S464-D467 PolarHBondContact OG-N 3.15Å; S464-D467 VanDerWaalsContact OG-N 3.07Å; S464-D467 PolarHBondContact OG-OD2 2.79Å; D467-K469 VanDerWaalsContact C-N 3.34Å; D467-K469 PolarHBondContact O-N 3.24Å; D467-R470 PolarHBondContact O-N 3.06Å; D467-W471 WeakPolarHBondContact O-CB 3.43Å; D467-W471 PolarHBondContact O-N 3.47Å |
| 468 | K | 59 | Low | 58.3 | Low | 90 Ų | 90 | 100.5 Ų | 100.5 | 39% | 0.391 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.8 | -48.3 | 174.7 | -61.8 | 177.5 | -163.9 | 166 | 0 | 111.4 | E465 W471 H472 | E465-K468 PolarHBondContact O-N 3.22Å; E465-K468 IonicContact OE1-NZ 2.68Å; E465-K468 PolarHBondContact OE1-NZ 3.32Å; K468-W471 PolarHBondContact O-N 2.84Å; K468-H472 PolarHBondContact O-N 3.39Å |
| 469 | K | 70.4 | Confident | 59.8 | Low | 133 Ų | 133 | 95.3 Ų | 95.3 | 58% | 0.578 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.7 | -48.2 | 178.2 | -179.7 | 175.1 | 177.4 | 179.8 | 0 | 110.9 | E465 L466 D467 W471 H472 D473 | E465-K469 PolarHBondContact O-N 3.34Å; E465-K469 VanDerWaalsContact O-N 3.11Å; L466-K469 PolarHBondContact O-N 3.2Å; D467-K469 VanDerWaalsContact C-N 3.34Å; D467-K469 PolarHBondContact O-N 3.24Å; K469-W471 VanDerWaalsContact C-N 3.26Å; K469-W471 PolarHBondContact O-N 3.11Å; K469-H472 WeakPolarHBondContact O-CB 3.43Å; K469-H472 PolarHBondContact O-N 3.14Å; K469-D473 WeakPolarHBondContact CE-OD2 3.34Å; K469-D473 VanDerWaalsContact O-CG 3.3Å; K469-D473 PolarHBondContact O-N 3.23Å |
| 470 | R | 66 | Low | 61.7 | Low | 191 Ų | 191 | 92.9 Ų | 92.9 | 72% | 0.721 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62.3 | -32.8 | -179.6 | -164.8 | 177.2 | -174.3 | -150.9 | 0.5 | 112.7 | L466 D467 G474 | L466-R470 VanDerWaalsContact O-CB 3.31Å; L466-R470 WeakPolarHBondContact O-CB 3.37Å; L466-R470 PolarHBondContact O-N 2.67Å; D467-R470 PolarHBondContact O-N 3.06Å; R470-G474 PolarHBondContact O-N 2.82Å; R470-G474 VanDerWaalsContact O-N 3.08Å |
| 471 | W | 64.4 | Low | 63 | Low | 76 Ų | 76 | 95 Ų | 95 | 29% | 0.288 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -67.9 | -43.7 | 170.9 | -119.5 | 77.5 | 0 | 0 | 0 | 112.5 | I411 W414 F462 D467 K468 K469 G474 L475 | I411-W471 HydrophobicContact CB-CH2 4.4Å; I411-W471 HydrophobicContact CD1-CZ2 4.27Å; I411-W471 HydrophobicContact CG1-CH2 3.61Å; I411-W471 HydrophobicContact CG1-CZ2 3.5Å; W414-W471 HydrophobicContact CG-CZ3 4.48Å; F462-W471 AromaticContact CE2-CD1 3.89Å; F462-W471 AromaticContact CE2-CD2 4Å; F462-W471 HydrophobicContact CE2-CD2 4Å; F462-W471 AromaticContact CE2-CE2 3.98Å; F462-W471 AromaticContact CE2-CG 3.95Å; F462-W471 HydrophobicContact CE2-CG 3.95Å; F462-W471 AromaticContact CE2-NE1 3.93Å; F462-W471 AromaticContact CZ-CD1 3.7Å; F462-W471 HydrophobicContact CZ-CD2 4.09Å; F462-W471 AromaticContact CZ-CE2 3.59Å; F462-W471 HydrophobicContact CZ-CG 4.16Å; F462-W471 HydrophobicContact CZ-CZ2 4.06Å; F462-W471 AromaticContact CZ-NE1 3.34Å; F462-W471 VanDerWaalsContact CZ-NE1 3.34Å; D467-W471 WeakPolarHBondContact O-CB 3.43Å; D467-W471 PolarHBondContact O-N 3.47Å; K468-W471 PolarHBondContact O-N 2.84Å; K469-W471 VanDerWaalsContact C-N 3.26Å; K469-W471 PolarHBondContact O-N 3.11Å; W471-G474 PolarHBondContact O-N 2.77Å; W471-L475 HydrophobicContact CD2-CD1 4.34Å; W471-L475 HydrophobicContact CE3-CD1 3.49Å; W471-L475 VanDerWaalsContact CE3-CD1 3.49Å; W471-L475 HydrophobicContact CZ3-CD1 3.69Å; W471-L475 WeakPolarHBondContact O-CD1 3.47Å; W471-L475 PolarHBondContact O-N 2.78Å |
| 472 | H | 68.3 | Low | 64.1 | Low | 132 Ų | 132 | 96.6 Ų | 96.6 | 61% | 0.611 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.4 | -47.7 | 178.7 | -160.3 | 81.8 | 0 | 0 | 0 | 111.6 | K468 K469 G474 L475 V476 | K468-H472 PolarHBondContact O-N 3.39Å; K469-H472 WeakPolarHBondContact O-CB 3.43Å; K469-H472 PolarHBondContact O-N 3.14Å; H472-G474 PolarHBondContact O-N 3.06Å; H472-L475 PolarHBondContact O-N 3.42Å; H472-V476 WeakPolarHBondContact O-CG2 3.38Å; H472-V476 PolarHBondContact O-N 3.02Å |
| 473 | D | 70 | Confident | 65.3 | Low | 87 Ų | 87 | 101.2 Ų | 101.2 | 47% | 0.465 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.6 | -40.7 | 173.2 | -65.3 | -21.5 | 0 | 0 | 0 | 110.6 | K469 V476 E477 | K469-D473 WeakPolarHBondContact CE-OD2 3.34Å; K469-D473 VanDerWaalsContact O-CG 3.3Å; K469-D473 PolarHBondContact O-N 3.23Å; D473-V476 PolarHBondContact O-N 2.88Å; D473-E477 WeakPolarHBondContact O-CB 3.39Å; D473-E477 PolarHBondContact O-N 2.87Å |
| 474 | G | 68.8 | Low | 66.4 | Low | 39 Ų | 39 | 95.4 Ų | 95.4 | 40% | 0.402 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | R470 W471 H472 A478 | R470-G474 PolarHBondContact O-N 2.82Å; R470-G474 VanDerWaalsContact O-N 3.08Å; W471-G474 PolarHBondContact O-N 2.77Å; H472-G474 PolarHBondContact O-N 3.06Å; G474-A478 WeakPolarHBondContact O-CB 3.41Å; G474-A478 PolarHBondContact O-N 2.91Å |
| 475 | L | 67.3 | Low | 66.4 | Low | 66 Ų | 66 | 99.8 Ų | 99.8 | 35% | 0.346 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 174.9 | -100.1 | 84.8 | 0 | 0 | 0 | 112.5 | I418 W471 H472 E477 A478 D479 | I418-L475 HydrophobicContact CD1-CD2 3.48Å; I418-L475 VanDerWaalsContact CD1-CD2 3.48Å; W471-L475 HydrophobicContact CD2-CD1 4.34Å; W471-L475 HydrophobicContact CE3-CD1 3.49Å; W471-L475 VanDerWaalsContact CE3-CD1 3.49Å; W471-L475 HydrophobicContact CZ3-CD1 3.69Å; W471-L475 WeakPolarHBondContact O-CD1 3.47Å; W471-L475 PolarHBondContact O-N 2.78Å; H472-L475 PolarHBondContact O-N 3.42Å; L475-E477 VanDerWaalsContact C-N 3.35Å; L475-A478 PolarHBondContact O-N 2.99Å; L475-D479 PolarHBondContact O-N 2.88Å |
| 476 | V | 69.9 | Low | 66.4 | Low | 87 Ų | 87 | 96.2 Ų | 96.2 | 53% | 0.527 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -43 | 176 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | H472 D473 D479 R480 | H472-V476 WeakPolarHBondContact O-CG2 3.38Å; H472-V476 PolarHBondContact O-N 3.02Å; D473-V476 PolarHBondContact O-N 2.88Å; V476-D479 PolarHBondContact O-N 2.8Å; V476-R480 WeakPolarHBondContact O-CB 3.5Å; V476-R480 PolarHBondContact O-N 3.01Å |
| 477 | E | 67.4 | Low | 66.1 | Low | 82 Ų | 82 | 96.8 Ų | 96.8 | 38% | 0.383 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 175.7 | -175.5 | 61.9 | -173.1 | 0 | 0 | 112.3 | D473 L475 R480 L481 | D473-E477 WeakPolarHBondContact O-CB 3.39Å; D473-E477 PolarHBondContact O-N 2.87Å; L475-E477 VanDerWaalsContact C-N 3.35Å; E477-R480 WeakPolarHBondContact O-CB 3.41Å; E477-R480 PolarHBondContact O-N 3.47Å; E477-R480 IonicContact OE1-CZ 3.02Å; E477-R480 IonicContact OE1-NE 3.76Å; E477-R480 PolarHBondContact OE1-NE 3.29Å; E477-R480 IonicContact OE1-NH2 3.61Å; E477-R480 PolarHBondContact OE1-NH2 2.93Å; E477-R480 IonicContact OE2-CZ 3.11Å; E477-R480 IonicContact OE2-NE 2.71Å; E477-R480 PolarHBondContact OE2-NE 2.87Å; E477-R480 IonicContact OE2-NH2 3.05Å; E477-L481 HydrophobicContact CG-CD1 4.18Å; E477-L481 WeakPolarHBondContact O-CB 3.44Å; E477-L481 VanDerWaalsContact O-CG 3.3Å; E477-L481 WeakPolarHBondContact O-CG 3.48Å; E477-L481 PolarHBondContact O-N 2.96Å |
| 478 | A | 62.2 | Low | 66.2 | Low | 57 Ų | 57 | 98.9 Ų | 98.9 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -49.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G474 L475 R480 L481 D482 | G474-A478 WeakPolarHBondContact O-CB 3.41Å; G474-A478 PolarHBondContact O-N 2.91Å; L475-A478 PolarHBondContact O-N 2.99Å; A478-R480 VanDerWaalsContact C-N 3.26Å; A478-R480 PolarHBondContact O-N 3.04Å; A478-L481 PolarHBondContact O-N 2.94Å; A478-D482 WeakPolarHBondContact O-CB 3.25Å; A478-D482 PolarHBondContact O-N 3.17Å |
| 479 | D | 65.2 | Low | 65.6 | Low | 39 Ų | 39 | 101 Ų | 101 | 21% | 0.209 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -65.1 | -30.3 | 176.8 | -168 | 81.2 | 0 | 0 | 0 | 111.8 | R422 L475 V476 R483 | R422-D479 IonicContact CZ-OD1 2.85Å; R422-D479 VanDerWaalsContact CZ-OD1 3.32Å; R422-D479 IonicContact NH1-OD1 3.7Å; R422-D479 PolarHBondContact NH1-OD1 3.37Å; R422-D479 IonicContact NH2-OD1 3.06Å; R422-D479 PolarHBondContact NH2-OD1 3.18Å; R422-D479 IonicContact NH2-OD2 3.51Å; L475-D479 PolarHBondContact O-N 2.88Å; V476-D479 PolarHBondContact O-N 2.8Å; D479-R483 WeakPolarHBondContact O-CB 3.37Å; D479-R483 WeakPolarHBondContact O-CG 3.43Å; D479-R483 PolarHBondContact O-N 3.48Å; D479-R483 VanDerWaalsContact O-N 3.16Å; D479-R483 IonicContact OD2-CZ 2.81Å; D479-R483 IonicContact OD2-NE 3.68Å; D479-R483 PolarHBondContact OD2-NE 2.86Å; D479-R483 IonicContact OD2-NH2 2.79Å; D479-R483 PolarHBondContact OD2-NH2 3.41Å |
| 480 | R | 78.6 | Confident | 64.1 | Low | 99 Ų | 99 | 98.1 Ų | 98.1 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.7 | -44.9 | 172.1 | -163.3 | -169.1 | 70.3 | 66 | 4.5 | 111.9 | V476 E477 A478 Q484 | V476-R480 WeakPolarHBondContact O-CB 3.5Å; V476-R480 PolarHBondContact O-N 3.01Å; E477-R480 WeakPolarHBondContact O-CB 3.41Å; E477-R480 PolarHBondContact O-N 3.47Å; E477-R480 IonicContact OE1-CZ 3.02Å; E477-R480 IonicContact OE1-NE 3.76Å; E477-R480 PolarHBondContact OE1-NE 3.29Å; E477-R480 IonicContact OE1-NH2 3.61Å; E477-R480 PolarHBondContact OE1-NH2 2.93Å; E477-R480 IonicContact OE2-CZ 3.11Å; E477-R480 IonicContact OE2-NE 2.71Å; E477-R480 PolarHBondContact OE2-NE 2.87Å; E477-R480 IonicContact OE2-NH2 3.05Å; A478-R480 VanDerWaalsContact C-N 3.26Å; A478-R480 PolarHBondContact O-N 3.04Å; R480-Q484 WeakPolarHBondContact O-CG 3.42Å; R480-Q484 PolarHBondContact O-N 3.46Å; R480-Q484 VanDerWaalsContact O-N 3.17Å |
| 481 | L | 69 | Low | 62.6 | Low | 78 Ų | 78 | 99.7 Ų | 99.7 | 41% | 0.408 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.6 | -40.2 | 179.2 | -72.5 | 170.3 | 0 | 0 | 0 | 112.2 | E477 A478 Q484 F485 | E477-L481 HydrophobicContact CG-CD1 4.18Å; E477-L481 WeakPolarHBondContact O-CB 3.44Å; E477-L481 VanDerWaalsContact O-CG 3.3Å; E477-L481 WeakPolarHBondContact O-CG 3.48Å; E477-L481 PolarHBondContact O-N 2.96Å; A478-L481 PolarHBondContact O-N 2.94Å; L481-Q484 WeakPolarHBondContact O-CB 3.47Å; L481-Q484 PolarHBondContact O-N 3.42Å; L481-Q484 VanDerWaalsContact O-N 3.11Å; L481-F485 PolarHBondContact O-N 3.22Å |
| 482 | D | 66 | Low | 61.2 | Low | 117 Ų | 117 | 105.5 Ų | 105.5 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.7 | -39.9 | 180 | -155.6 | 42.8 | 0 | 0 | 0 | 111.2 | A478 Q484 F485 A486 | A478-D482 WeakPolarHBondContact O-CB 3.25Å; A478-D482 PolarHBondContact O-N 3.17Å; D482-Q484 VanDerWaalsContact C-N 3.35Å; D482-Q484 PolarHBondContact O-N 3.26Å; D482-F485 PolarHBondContact O-N 2.96Å; D482-A486 WeakPolarHBondContact O-CB 3.49Å; D482-A486 PolarHBondContact O-N 2.85Å |
| 483 | R | 68.9 | Low | 59.6 | Low | 151 Ų | 151 | 104.7 Ų | 104.7 | 57% | 0.57 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -60.7 | -39.8 | 168.4 | -72 | 174.4 | -161.5 | -124.6 | 8.3 | 112.8 | D479 L487 | D479-R483 WeakPolarHBondContact O-CB 3.37Å; D479-R483 WeakPolarHBondContact O-CG 3.43Å; D479-R483 PolarHBondContact O-N 3.48Å; D479-R483 VanDerWaalsContact O-N 3.16Å; D479-R483 IonicContact OD2-CZ 2.81Å; D479-R483 IonicContact OD2-NE 3.68Å; D479-R483 PolarHBondContact OD2-NE 2.86Å; D479-R483 IonicContact OD2-NH2 2.79Å; D479-R483 PolarHBondContact OD2-NH2 3.41Å; R483-L487 WeakPolarHBondContact O-CB 3.37Å; R483-L487 VanDerWaalsContact O-CG 3.3Å; R483-L487 WeakPolarHBondContact O-CG 3.05Å; R483-L487 PolarHBondContact O-N 3.03Å; R483-L487 VanDerWaalsContact O-N 3.08Å |
| 484 | Q | 70.6 | Confident | 57.9 | Low | 96 Ų | 96 | 106.7 Ų | 106.7 | 45% | 0.449 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -66.7 | -40.9 | 175.9 | -77.5 | -171.3 | -37.8 | 0 | 0 | 111.8 | R480 L481 D482 L487 V488 | R480-Q484 WeakPolarHBondContact O-CG 3.42Å; R480-Q484 PolarHBondContact O-N 3.46Å; R480-Q484 VanDerWaalsContact O-N 3.17Å; L481-Q484 WeakPolarHBondContact O-CB 3.47Å; L481-Q484 PolarHBondContact O-N 3.42Å; L481-Q484 VanDerWaalsContact O-N 3.11Å; D482-Q484 VanDerWaalsContact C-N 3.35Å; D482-Q484 PolarHBondContact O-N 3.26Å; Q484-L487 PolarHBondContact O-N 2.88Å; Q484-V488 WeakPolarHBondContact O-CB 3.39Å; Q484-V488 VanDerWaalsContact O-CG2 3.27Å; Q484-V488 WeakPolarHBondContact O-CG2 3.33Å; Q484-V488 PolarHBondContact O-N 3Å |
| 485 | F | 59.1 | Low | 56.1 | Low | 132 Ų | 132 | 112.7 Ų | 112.7 | 58% | 0.579 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61.9 | -45.9 | 174 | -107.3 | -93.3 | 0 | 0 | 0 | 112.2 | L481 D482 L487 V488 F489 | L481-F485 PolarHBondContact O-N 3.22Å; D482-F485 PolarHBondContact O-N 2.96Å; F485-L487 VanDerWaalsContact C-N 3.32Å; F485-L487 PolarHBondContact O-N 3.33Å; F485-V488 PolarHBondContact O-N 3.44Å; F485-F489 AromaticContact CD1-CD2 3.6Å; F485-F489 HydrophobicContact CD1-CD2 3.6Å; F485-F489 AromaticContact CD1-CE2 3.61Å; F485-F489 HydrophobicContact CD1-CE2 3.61Å; F485-F489 AromaticContact CE1-CD2 3.95Å; F485-F489 HydrophobicContact CE1-CD2 3.95Å; F485-F489 AromaticContact CE1-CE2 3.48Å; F485-F489 HydrophobicContact CE1-CE2 3.48Å; F485-F489 VanDerWaalsContact CE1-CE2 3.48Å; F485-F489 HydrophobicContact CE1-CZ 4.38Å; F485-F489 HydrophobicContact CG-CD2 4.43Å; F485-F489 HydrophobicContact CZ-CE2 4.29Å; F485-F489 WeakPolarHBondContact O-CD2 3.35Å; F485-F489 PolarHBondContact O-N 2.66Å |
| 486 | A | 59.7 | Low | 54.4 | Low | 64 Ų | 64 | 118.2 Ų | 118.2 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.8 | -40.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D482 G490 | D482-A486 WeakPolarHBondContact O-CB 3.49Å; D482-A486 PolarHBondContact O-N 2.85Å; A486-G490 PolarHBondContact O-N 3Å |
| 487 | L | 60.7 | Low | 52.3 | Low | 150 Ų | 150 | 119.1 Ų | 119.1 | 79% | 0.785 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.7 | -35.6 | 177.2 | -73 | 169.3 | 0 | 0 | 0 | 113.3 | R483 Q484 F485 | R483-L487 WeakPolarHBondContact O-CB 3.37Å; R483-L487 VanDerWaalsContact O-CG 3.3Å; R483-L487 WeakPolarHBondContact O-CG 3.05Å; R483-L487 PolarHBondContact O-N 3.03Å; R483-L487 VanDerWaalsContact O-N 3.08Å; Q484-L487 PolarHBondContact O-N 2.88Å; F485-L487 VanDerWaalsContact C-N 3.32Å; F485-L487 PolarHBondContact O-N 3.33Å |
| 488 | V | 60 | Low | 50.3 | Low | 111 Ų | 111 | 127.1 Ų | 127.1 | 67% | 0.673 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76.2 | -35.5 | -178.8 | 168.9 | 0 | 0 | 0 | 0 | 112.6 | Q484 F485 | Q484-V488 WeakPolarHBondContact O-CB 3.39Å; Q484-V488 VanDerWaalsContact O-CG2 3.27Å; Q484-V488 WeakPolarHBondContact O-CG2 3.33Å; Q484-V488 PolarHBondContact O-N 3Å; F485-V488 PolarHBondContact O-N 3.44Å |
| 489 | F | 45.9 | Very low | 48.5 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 58% | 0.583 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -100.3 | -4.5 | -171.8 | -74.1 | -77.2 | 0 | 0 | 0 | 116 | F485 R491 | F485-F489 AromaticContact CD1-CD2 3.6Å; F485-F489 HydrophobicContact CD1-CD2 3.6Å; F485-F489 AromaticContact CD1-CE2 3.61Å; F485-F489 HydrophobicContact CD1-CE2 3.61Å; F485-F489 AromaticContact CE1-CD2 3.95Å; F485-F489 HydrophobicContact CE1-CD2 3.95Å; F485-F489 AromaticContact CE1-CE2 3.48Å; F485-F489 HydrophobicContact CE1-CE2 3.48Å; F485-F489 VanDerWaalsContact CE1-CE2 3.48Å; F485-F489 HydrophobicContact CE1-CZ 4.38Å; F485-F489 HydrophobicContact CG-CD2 4.43Å; F485-F489 HydrophobicContact CZ-CE2 4.29Å; F485-F489 WeakPolarHBondContact O-CD2 3.35Å; F485-F489 PolarHBondContact O-N 2.66Å; F489-R491 PolarHBondContact O-N 2.88Å |
| 490 | G | 38.8 | Very low | 46.7 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 69% | 0.685 | S | S | * | * | trans | 63.4 | 13.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | A486 | A486-G490 PolarHBondContact O-N 3Š| ||
| 491 | R | 34.9 | Very low | 44.3 | Very low | 224 Ų | 224 | 132.7 Ų | 132.7 | 85% | 0.845 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 120.9 | 179.1 | -69.8 | -175.8 | 179.1 | -157.7 | -1.2 | 110.5 | F489 | F489-R491 PolarHBondContact O-N 2.88Š|
| 492 | K | 34.5 | Very low | 42.5 | Very low | 198 Ų | 198 | 138.4 Ų | 138.4 | 86% | 0.861 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 146.2 | 166.2 | -69.3 | -177 | 176.9 | -178 | 0 | 109.7 | ||
| 493 | P | 33.8 | Very low | 40.7 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 75% | 0.747 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 147.1 | 175.4 | 28.5 | -34.9 | 0 | 0 | 0 | 111 | ||
| 494 | P | 35.1 | Very low | 38.7 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 84% | 0.844 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 135.3 | -178.1 | 31.1 | -34 | 0 | 0 | 0 | 111.8 | ||
| 495 | I | 31.5 | Very low | 36.7 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 85% | 0.846 | 75% | 0.753 | S | S | * | * | trans | -116.4 | 129.2 | 165.1 | -59.8 | 175.8 | 0 | 0 | 0 | 107.7 | ||||
| 496 | Q | 30.6 | Very low | 35.3 | Very low | 181 Ų | 181 | 141 Ų | 141 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -149.8 | 136.4 | 174.4 | -92.3 | -166.2 | -9.7 | 0 | 0 | 107.3 | ||||
| 497 | T | 25.6 | Very low | 33.6 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | cis | -136.7 | 168.7 | -3.7 | 36.8 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 498 | W | 26.4 | Very low | 32 | Very low | 250 Ų | 250 | 145 Ų | 145 | 95% | 0.947 | 77% | 0.77 | S | S | * | * | -162.9 | 173.3 | 97.2 | -96 | 23.5 | 0 | 0 | 0 | 111.5 | |||||
| 499 | S | 23.5 | Very low | 30.5 | Very low | 105 Ų | 105 | 146.6 Ų | 146.6 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -77.7 | 144.5 | -168.4 | 46.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 500 | S | 27.8 | Very low | 29.5 | Very low | 104 Ų | 104 | 145.4 Ų | 145.4 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | 178.4 | 150.5 | 114.7 | -79.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 501 | S | 28.8 | Very low | 29.2 | Very low | 102 Ų | 102 | 148.7 Ų | 148.7 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | trans | 56.9 | 121.5 | 149.1 | 57.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 502 | Q | 31.6 | Very low | 28.9 | Very low | 198 Ų | 198 | 143.4 Ų | 143.4 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | 80 | 162.1 | 141.5 | -66.2 | -178.2 | 6.7 | 0 | 0 | 120.3 | ||||
| 503 | S | 26.4 | Very low | 28.6 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -150.1 | 157.5 | -159.4 | 52.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 504 | N | 27.6 | Very low | 28.2 | Very low | 146 Ų | 146 | 140 Ų | 140 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 69.6 | 152.8 | 179.8 | -46.7 | -52.1 | 0 | 0 | 0 | 113.7 | ||||
| 505 | L | 28.6 | Very low | 28 | Very low | 146 Ų | 146 | 141 Ų | 141 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | cis | -141.5 | 159.4 | 24.2 | -88.6 | 86.9 | 0 | 0 | 0 | 113.1 | ||||
| 506 | H | 29.6 | Very low | 27.6 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | trans | 52.3 | 127.4 | 148.4 | -75.2 | -114.7 | 0 | 0 | 0 | 120.6 | ||||
| 507 | F | 24 | Very low | 27.5 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | cis | 89.8 | 135 | 14.7 | -134.7 | -50.9 | 0 | 0 | 0 | 116.8 | ||||
| 508 | V | 27.1 | Very low | 27.4 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 64% | 0.636 | 76% | 0.758 | S | S | * | * | trans | 94.4 | 142.4 | 158.6 | -116.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 509 | N | 28.6 | Very low | 27.9 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | 81 | 110.2 | 167.3 | -55 | -18.9 | 0 | 0 | 0 | 117.2 | ||||
| 510 | S | 25.7 | Very low | 28 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | cis | 81.7 | 93.5 | 6 | -157.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 511 | V | 30.9 | Very low | 28 | Very low | 142 Ų | 142 | 136 Ų | 136 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -159.2 | 156 | 158.1 | -176 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 512 | V | 29.5 | Very low | 27.8 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | -175.5 | 155 | -60.2 | 139.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 513 | S | 28.2 | Very low | 27.5 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 71.3 | 150.1 | 167.4 | -84 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 514 | E | 25.4 | Very low | 27.9 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 66% | 0.664 | 75% | 0.747 | S | S | * | * | cis | -167.2 | 176.9 | -14.5 | -129.2 | -166.6 | 131.9 | 0 | 0 | 113.2 | ||||
| 515 | K | 29.9 | Very low | 27.9 | Very low | 149 Ų | 149 | 132 Ų | 132 | 65% | 0.648 | 75% | 0.745 | S | S | * | * | trans | 72 | 100.9 | 148.4 | -79.6 | 169.1 | 172.3 | 69.4 | 0 | 122.3 | ||||
| 516 | T | 24.5 | Very low | 27.9 | Very low | 121 Ų | 121 | 130.8 Ų | 130.8 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | 44.4 | 121.5 | 120.9 | 59.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 517 | L | 27.1 | Very low | 27.8 | Very low | 171 Ų | 171 | 127.3 Ų | 127.3 | 90% | 0.895 | 74% | 0.74 | S | S | * | * | -169.4 | 163.6 | 102.2 | -129.7 | 90.8 | 0 | 0 | 0 | 113.8 | |||||
| 518 | A | 25.2 | Very low | 28.1 | Very low | 84 Ų | 84 | 124.4 Ų | 124.4 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | trans | -157.5 | 170.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 519 | P | 36.3 | Very low | 28 | Very low | 100 Ų | 100 | 125.3 Ų | 125.3 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | -138.3 | -175.1 | -1.4 | 44.4 | -27.8 | 0 | 0 | 0 | 116 | ||||
| 520 | H | 25.6 | Very low | 27.9 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | trans | 73.6 | 145.5 | 145.1 | -67.1 | -39.3 | 0 | 0 | 0 | 125 | ||||
| 521 | I | 27.7 | Very low | 28.1 | Very low | 163 Ų | 163 | 124.8 Ų | 124.8 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | trans | 77.6 | 145.3 | 152.3 | -69.4 | 152.1 | 0 | 0 | 0 | 119.5 | ||||
| 522 | S | 24.1 | Very low | 27.9 | Very low | 95 Ų | 95 | 123 Ų | 123 | 66% | 0.664 | 74% | 0.737 | S | S | * | * | -168 | 167 | -58 | 61 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 523 | S | 25.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 122 Ų | 122 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | 87.5 | 112.5 | 149.8 | 74.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 524 | S | 35 | Very low | 27.8 | Very low | 110 Ų | 110 | 122.4 Ų | 122.4 | 77% | 0.769 | 74% | 0.74 | S | S | * | * | trans | -168.2 | 113.8 | 144.4 | 55.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 525 | L | 26.9 | Very low | 27.8 | Very low | 142 Ų | 142 | 123.4 Ų | 123.4 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | 56.7 | 135.7 | 71.2 | -69.2 | 171.5 | 0 | 0 | 0 | 113.5 | |||||
| 526 | P | 30.4 | Very low | 28 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | cis | -83.2 | 165.4 | 18.5 | -5.5 | 25.9 | 0 | 0 | 0 | 114.3 | ||||
| 527 | S | 27.1 | Very low | 28.2 | Very low | 89 Ų | 89 | 120.5 Ų | 120.5 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | cis | 71.4 | 134.8 | 48.1 | -41.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 528 | V | 29.4 | Very low | 28.3 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | cis | -151.5 | -178.5 | -1.9 | -106.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 529 | T | 26.4 | Very low | 28.6 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | cis | -153.7 | 147.2 | 24.9 | -42.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 530 | V | 25.2 | Very low | 28.4 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 81% | 0.812 | 75% | 0.752 | S | S | * | * | trans | -148.9 | 133.9 | 172.5 | -179.4 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 531 | P | 31.2 | Very low | 28.6 | Very low | 107 Ų | 107 | 125.9 Ų | 125.9 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | -155.1 | -164.7 | 61.5 | 41.1 | -17.5 | 0 | 0 | 0 | 117.4 | |||||
| 532 | S | 26.3 | Very low | 28.6 | Very low | 104 Ų | 104 | 125 Ų | 125 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | trans | 77.7 | 111.5 | 145.3 | -62.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 533 | A | 24.5 | Very low | 28.7 | Very low | 93 Ų | 93 | 126.7 Ų | 126.7 | 77% | 0.769 | 75% | 0.746 | S | S | * | * | 32.8 | 160 | 108.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 534 | P | 31.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 131.9 Ų | 131.9 | 70% | 0.701 | 75% | 0.75 | S | S | * | * | cis | -140.8 | 165.8 | -22.1 | 37 | -18.4 | 0 | 0 | 0 | 117.3 | ||||
| 535 | L | 25.3 | Very low | 28.2 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | trans | 63.3 | 166.7 | 156.7 | -74.7 | 169.3 | 0 | 0 | 0 | 119.1 | ||||
| 536 | P | 33.5 | Very low | 28.2 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 66% | 0.656 | 75% | 0.75 | S | S | * | * | cis | -130.2 | 161.8 | -17 | 36.8 | -20.6 | 0 | 0 | 0 | 116.4 | ||||
| 537 | S | 27.7 | Very low | 27.9 | Very low | 107 Ų | 107 | 133 Ų | 133 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 66.2 | 160.8 | 154.9 | 77.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 538 | Y | 30.4 | Very low | 27.9 | Very low | 219 Ų | 219 | 139.6 Ų | 139.6 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | cis | -154.3 | 145.8 | 7.7 | -142 | -65.8 | 0 | 0 | 0 | 110.1 | ||||
| 539 | S | 30.8 | Very low | 27.8 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | 67.7 | 143.5 | 161.6 | -179.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 540 | T | 32.3 | Very low | 27.9 | Very low | 116 Ų | 116 | 139.8 Ų | 139.8 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | cis | 178.7 | 148.8 | -11.4 | -77.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 541 | Y | 29.5 | Very low | 27.8 | Very low | 199 Ų | 199 | 139.7 Ų | 139.7 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | cis | -156.8 | 159.8 | -19.4 | -119 | -121.7 | 0 | 0 | 0 | 103.9 | ||||
| 542 | H | 28.8 | Very low | 27.7 | Very low | 146 Ų | 146 | 138.9 Ų | 138.9 | 68% | 0.676 | 75% | 0.746 | S | S | * | * | cis | 78 | 134.6 | 29.6 | -60.3 | -39.3 | 0 | 0 | 0 | 116.6 | ||||
| 543 | N | 25.8 | Very low | 27.6 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | cis | -163.7 | 167.3 | -15.4 | -106.1 | 3.2 | 0 | 0 | 0 | 107.6 | ||||
| 544 | Y | 25.2 | Very low | 28.2 | Very low | 223 Ų | 223 | 139.7 Ų | 139.7 | 88% | 0.875 | 74% | 0.743 | S | S | * | * | cis | 71.8 | 156.7 | 38.7 | -91.6 | -77.4 | 0 | 0 | 0 | 116.8 | ||||
| 545 | S | 25 | Very low | 27.9 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | trans | -135.7 | 171.2 | -140.3 | 57.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 546 | K | 25.4 | Very low | 28.1 | Very low | 196 Ų | 196 | 137.5 Ų | 137.5 | 85% | 0.852 | 74% | 0.739 | S | S | * | * | trans | 98.6 | 126.4 | 165.7 | -60 | -175.9 | 176 | -178.9 | 0 | 120.5 | ||||
| 547 | S | 25.3 | Very low | 27.9 | Very low | 104 Ų | 104 | 140 Ų | 140 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | 41.5 | 119.8 | 143 | 59.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 548 | R | 26 | Very low | 27.9 | Very low | 227 Ų | 227 | 140.8 Ų | 140.8 | 86% | 0.857 | 74% | 0.738 | S | S | * | * | 44.5 | 143.9 | 117.6 | -68.4 | -172.6 | 178.2 | -112.2 | 4.3 | 120.1 | |||||
| 549 | L | 26.9 | Very low | 27.8 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 62% | 0.623 | 73% | 0.729 | S | S | * | * | cis | -166.7 | 160.5 | 11.5 | -151.7 | 70.8 | 0 | 0 | 0 | 114 | ||||
| 550 | I | 28.4 | Very low | 27.9 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | trans | 58.5 | 165.1 | 159.4 | 41.1 | 177.9 | 0 | 0 | 0 | 121.2 | ||||
| 551 | D | 23.7 | Very low | 27.8 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -155.9 | -178.2 | 28 | -147.7 | -12.9 | 0 | 0 | 0 | 118.2 | ||||
| 552 | A | 28.7 | Very low | 27.9 | Very low | 90 Ų | 90 | 133.9 Ų | 133.9 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | trans | 97.4 | 113.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 553 | S | 24.9 | Very low | 27.8 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | cis | 86.9 | 151.7 | 27.3 | -61.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 554 | P | 37.6 | Very low | 28.5 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 72% | 0.722 | S | S | * | * | cis | -143.8 | 175 | 11.6 | 43.7 | -25 | 0 | 0 | 0 | 120 | ||||
| 555 | S | 23.7 | Very low | 28.9 | Very low | 108 Ų | 108 | 122.7 Ų | 122.7 | 76% | 0.755 | 70% | 0.703 | S | S | * | * | trans | 71.9 | 159.3 | 148.8 | 73.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 556 | V | 29.7 | Very low | 28.9 | Very low | 118 Ų | 118 | 120.7 Ų | 120.7 | 72% | 0.715 | 69% | 0.688 | S | S | * | * | cis | -151.3 | 148.3 | 19.2 | -176.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 557 | H | 30.8 | Very low | 28.8 | Very low | 154 Ų | 154 | 115 Ų | 115 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | trans | 49.5 | 134.5 | 158.9 | -76.2 | -61 | 0 | 0 | 0 | 126.5 | ||||
| 558 | D | 26.7 | Very low | 28.9 | Very low | 123 Ų | 123 | 116.4 Ų | 116.4 | 66% | 0.658 | 68% | 0.675 | S | S | * | * | trans | 46.2 | 140.6 | 132.3 | -48.1 | 0.4 | 0 | 0 | 0 | 121.2 | ||||
| 559 | N | 28.6 | Very low | 28.9 | Very low | 125 Ų | 125 | 113.9 Ų | 113.9 | 67% | 0.668 | 68% | 0.677 | S | S | * | * | cis | -166.6 | 163.2 | 35.9 | -136 | -33.9 | 0 | 0 | 0 | 113.4 | ||||
| 560 | H | 32.6 | Very low | 29 | Very low | 157 Ų | 157 | 113 Ų | 113 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | trans | 63.8 | 116.4 | 168.1 | -61.1 | -47.6 | 0 | 0 | 0 | 119.1 | ||||
| 561 | S | 30 | Very low | 28.8 | Very low | 105 Ų | 105 | 114.6 Ų | 114.6 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | 90.1 | 130.7 | 64.4 | -71.4 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 562 | S | 31.3 | Very low | 29 | Very low | 104 Ų | 104 | 116 Ų | 116 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | cis | -159.5 | 159.8 | -2.6 | -78.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 563 | P | 28.4 | Very low | 28.9 | Very low | 112 Ų | 112 | 116.2 Ų | 116.2 | 73% | 0.727 | 68% | 0.682 | S | S | * | * | trans | -86 | -180 | 173.8 | 36 | -36.4 | 0 | 0 | 0 | 114.6 | ||||
| 564 | P | 39.6 | Very low | 28.8 | Very low | 81 Ų | 81 | 118.2 Ų | 118.2 | 53% | 0.526 | 68% | 0.683 | S | S | . | * | trans | -71.4 | -165.6 | 179.5 | -18.3 | 35.5 | 0 | 0 | 0 | 114 | ||||
| 565 | P | 34.2 | Very low | 28.3 | Very low | 71 Ų | 71 | 117.3 Ų | 117.3 | 46% | 0.461 | 68% | 0.679 | S | S | . | * | cis | -142.9 | 172.2 | 9 | 37.3 | -15.5 | 0 | 0 | 0 | 119.4 | Q977 | P565-Q977 HydrophobicContact CB-CB 3.48Å; P565-Q977 VanDerWaalsContact CB-CB 3.48Å; P565-Q977 VanDerWaalsContact CB-CD 3.48Å; P565-Q977 HydrophobicContact CB-CG 3.61Å; P565-Q977 HydrophobicContact CG-CB 3.98Å | ||
| 566 | S | 23.7 | Very low | 28.4 | Very low | 53 Ų | 53 | 120 Ų | 120 | 37% | 0.371 | 68% | 0.68 | S | S | . | * | 134.4 | 139.2 | 115.7 | 69.2 | 0 | 0 | 0 | 0 | 122.6 | K976 Q977 | S566-K976 VanDerWaalsContact CB-CD 3.48Å; S566-K976 WeakPolarHBondContact OG-CD 3.27Å; S566-K976 WeakPolarHBondContact OG-CE 3.44Å; S566-K976 PolarHBondContact OG-NZ 3.41Å; S566-Q977 VanDerWaalsContact CA-OE1 3.31Å | |||
| 567 | T | 24.4 | Very low | 28.2 | Very low | 77 Ų | 77 | 119.3 Ų | 119.3 | 47% | 0.472 | 68% | 0.68 | S | S | . | * | trans | 53.1 | 108.1 | 157.1 | 46.9 | 0 | 0 | 0 | 0 | 120.7 | K976 | T567-K976 HydrophobicContact CG2-CG 4.32Å; T567-K976 VanDerWaalsContact OG1-CE 3.29Å; T567-K976 WeakPolarHBondContact OG1-CE 3.3Å; T567-K976 PolarHBondContact OG1-NZ 2.92Å | ||
| 568 | T | 28.1 | Very low | 28 | Very low | 134 Ų | 134 | 117.8 Ų | 117.8 | 82% | 0.822 | 68% | 0.682 | S | S | * | * | -175 | 134.7 | 108.2 | 33 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 569 | L | 25.1 | Very low | 28.2 | Very low | 174 Ų | 174 | 117.6 Ų | 117.6 | 91% | 0.911 | 69% | 0.687 | S | S | * | * | trans | -157.5 | 97.9 | 163.8 | -112.1 | 174.1 | 0 | 0 | 0 | 111.3 | ||||
| 570 | P | 28 | Very low | 28.2 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 64% | 0.643 | 70% | 0.696 | S | S | * | * | trans | -104.7 | 170 | 152.6 | 37 | -29.1 | 0 | 0 | 0 | 111.1 | ||||
| 571 | H | 24.5 | Very low | 28 | Very low | 175 Ų | 175 | 117.9 Ų | 117.9 | 81% | 0.81 | 70% | 0.697 | S | S | * | * | trans | -19.6 | 142.8 | 172.8 | -56.2 | -94.6 | 0 | 0 | 0 | 119 | ||||
| 572 | I | 28.6 | Very low | 27.8 | Very low | 163 Ų | 163 | 116.9 Ų | 116.9 | 84% | 0.836 | 69% | 0.69 | S | S | * | * | -159.3 | 138.9 | 110.5 | -101.2 | 156 | 0 | 0 | 0 | 110.3 | |||||
| 573 | P | 26.8 | Very low | 27.4 | Very low | 94 Ų | 94 | 123.1 Ų | 123.1 | 61% | 0.61 | 70% | 0.698 | S | S | * | * | trans | -101.9 | 175.6 | 170.3 | 40.7 | -34.9 | 0 | 0 | 0 | 112.4 | ||||
| 574 | I | 22.6 | Very low | 27.3 | Very low | 146 Ų | 146 | 123.7 Ų | 123.7 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | trans | 70.6 | 163.1 | 159.8 | -70.2 | 161.5 | 0 | 0 | 0 | 115.7 | ||||
| 575 | S | 27.3 | Very low | 27.2 | Very low | 90 Ų | 90 | 125.4 Ų | 125.4 | 63% | 0.629 | 71% | 0.711 | S | S | * | * | trans | -103.4 | -147.3 | -160.6 | 62.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 576 | H | 25.2 | Very low | 26.7 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 76% | 0.764 | 73% | 0.726 | S | S | * | * | trans | 77.3 | 145.4 | -179.4 | -45.1 | -67.4 | 0 | 0 | 0 | 114.5 | ||||
| 577 | S | 25.4 | Very low | 26.8 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | cis | -150.2 | 176.3 | 6.5 | 44.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 578 | T | 27 | Very low | 26.7 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 75% | 0.748 | 76% | 0.758 | S | S | * | * | cis | -157.2 | 145.8 | 40.1 | 51.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 579 | P | 31.8 | Very low | 26.4 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | trans | -101.4 | 169.4 | 164.6 | 39.9 | -34.1 | 0 | 0 | 0 | 113.9 | ||||
| 580 | V | 27.3 | Very low | 26.4 | Very low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -165.5 | 150.3 | 173.3 | -96.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 581 | I | 29.1 | Very low | 26.1 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | cis | -131.8 | 127.2 | -0.3 | -55.5 | 179.8 | 0 | 0 | 0 | 105.8 | ||||
| 582 | S | 24.8 | Very low | 26.2 | Very low | 84 Ų | 84 | 128 Ų | 128 | 59% | 0.587 | 75% | 0.746 | S | S | * | * | 82.6 | 118.1 | 62.9 | 131.1 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 583 | R | 24.7 | Very low | 26.1 | Very low | 235 Ų | 235 | 126.7 Ų | 126.7 | 89% | 0.887 | 75% | 0.746 | S | S | * | * | trans | 75.6 | 152.6 | 148.1 | -60.8 | 173.9 | 178.5 | -159 | -1.8 | 118.2 | ||||
| 584 | T | 24.9 | Very low | 26.2 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | cis | -141.8 | 158.5 | 6.3 | 43.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 585 | P | 38.9 | Very low | 26.3 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | trans | -98.2 | -178.3 | 159 | 38.5 | -32.3 | 0 | 0 | 0 | 113.8 | ||||
| 586 | V | 23 | Very low | 26.3 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | trans | 123.6 | 146.5 | 159.9 | 174.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 587 | T | 25.8 | Very low | 26.4 | Very low | 125 Ų | 125 | 126.1 Ų | 126.1 | 77% | 0.767 | 75% | 0.753 | S | S | * | * | trans | 68.2 | 122.9 | 175.7 | 33.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 588 | T | 21.8 | Very low | 26.4 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | cis | 102.8 | 135.6 | 21.5 | -50.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 589 | I | 21.8 | Very low | 26.4 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 68.4 | 131.2 | -176.4 | -30 | -177.7 | 0 | 0 | 0 | 112.2 | ||||
| 590 | V | 25.3 | Very low | 26.1 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | cis | -132.5 | 143.4 | 29.3 | 167.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 591 | S | 21.4 | Very low | 26.1 | Very low | 107 Ų | 107 | 127.6 Ų | 127.6 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | cis | 88.9 | 61.5 | 33.3 | -55.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 592 | A | 27.8 | Very low | 25.9 | Very low | 81 Ų | 81 | 126 Ų | 126 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | -148.2 | 118.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 593 | T | 26.5 | Very low | 26 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | 54.3 | 124.4 | 73.7 | 66.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 594 | S | 28.5 | Very low | 26.1 | Very low | 102 Ų | 102 | 123.6 Ų | 123.6 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | cis | -149.4 | 131 | 10.2 | 47.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 595 | S | 25.2 | Very low | 26.2 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 66% | 0.664 | 76% | 0.76 | S | S | * | * | 73.6 | 116.4 | 60.2 | 81 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 596 | N | 25.4 | Very low | 25.6 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | 88.3 | 149.7 | 138.1 | -63.1 | -0 | 0 | 0 | 0 | 122.4 | ||||
| 597 | N | 28.9 | Very low | 25.8 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 65 | 102.4 | 162.2 | -57.1 | -9.6 | 0 | 0 | 0 | 115.1 | ||||
| 598 | A | 25.4 | Very low | 25.8 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | cis | 60.2 | 125.1 | 39 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 599 | F | 26.4 | Very low | 27 | Very low | 219 Ų | 219 | 126.4 Ų | 126.4 | 96% | 0.961 | 77% | 0.765 | S | S | * | * | trans | -141.9 | 142.8 | 151.1 | -121.7 | -80.4 | 0 | 0 | 0 | 109.8 | ||||
| 600 | S | 24.5 | Very low | 27.4 | Very low | 97 Ų | 97 | 125.2 Ų | 125.2 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -131.3 | 137.7 | -177.9 | 174.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 601 | S | 27.6 | Very low | 27.4 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | trans | -164.7 | 113.7 | 158.7 | 54.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 602 | V | 25.3 | Very low | 27.6 | Very low | 113 Ų | 113 | 126.1 Ų | 126.1 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | cis | 67.8 | 107.8 | 48 | -174.3 | 0 | 0 | 0 | 0 | 112.9 | T604 | V602-T604 HydrophobicContact CG1-CG2 4.4Š| ||
| 603 | L | 27.8 | Very low | 27.5 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | -167.5 | 99.2 | 142.9 | -90.4 | 174.8 | 0 | 0 | 0 | 104.5 | ||||
| 604 | T | 26.5 | Very low | 27.7 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | 55.9 | 142.5 | 88.8 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | V602 | V602-T604 HydrophobicContact CG1-CG2 4.4Š| |||
| 605 | R | 26.1 | Very low | 27.6 | Very low | 234 Ų | 234 | 138.5 Ų | 138.5 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | cis | -171.4 | 153.1 | 36.8 | -175.7 | 171.3 | 156.9 | 171.5 | -6.3 | 112.6 | ||||
| 606 | A | 26.5 | Very low | 27.6 | Very low | 92 Ų | 92 | 138.9 Ų | 138.9 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | trans | 68.1 | 151.6 | 160 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 607 | S | 27.6 | Very low | 27.6 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | cis | -148.7 | 160.8 | 0.7 | 41.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 608 | S | 26.2 | Very low | 27.5 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -79.8 | 171.5 | -178.9 | -37.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 609 | P | 46.3 | Very low | 27.4 | Very low | 120 Ų | 120 | 147.8 Ų | 147.8 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -94.5 | 179.5 | -167.6 | 39.4 | -37.1 | 0 | 0 | 0 | 114.7 | ||||
| 610 | P | 29.3 | Very low | 27.4 | Very low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | -144 | 158 | 124.1 | 38.8 | -25 | 0 | 0 | 0 | 117.5 | |||||
| 611 | T | 25.3 | Very low | 27.5 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -24.3 | 148.8 | 163.9 | 56.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 612 | S | 27.2 | Very low | 27.5 | Very low | 126 Ų | 126 | 149.3 Ų | 149.3 | 88% | 0.881 | 80% | 0.8 | S | S | * | * | 174.2 | 165.4 | 106.2 | 54.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 613 | S | 25.7 | Very low | 27.7 | Very low | 101 Ų | 101 | 151 Ų | 151 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | trans | -69.4 | 147.5 | -173.5 | 146.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 614 | R | 30.6 | Very low | 27.8 | Very low | 242 Ų | 242 | 149.3 Ų | 149.3 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | trans | 178.1 | 116.3 | 137.5 | -95.7 | 160.5 | -167.9 | -148.6 | 2.8 | 107.1 | ||||
| 615 | R | 26 | Very low | 27.9 | Very low | 236 Ų | 236 | 152 Ų | 152 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | cis | 66 | 112.6 | 46.9 | -132.1 | -170.3 | -158.9 | -142.5 | 4.7 | 114.8 | ||||
| 616 | S | 24.9 | Very low | 28.2 | Very low | 104 Ų | 104 | 146.8 Ų | 146.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | 62.3 | 123.5 | 146.2 | -161.8 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 617 | C | 25.4 | Very low | 28.3 | Very low | 118 Ų | 118 | 145.2 Ų | 145.2 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 29.9 | 126.4 | 144.1 | -57.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 618 | F | 25.9 | Very low | 28.6 | Very low | 219 Ų | 219 | 151.3 Ų | 151.3 | 96% | 0.961 | 79% | 0.792 | S | S | * | * | trans | -136.1 | 122.6 | 145.2 | -117.5 | -80.6 | 0 | 0 | 0 | 111.5 | ||||
| 619 | R | 23.9 | Very low | 28.7 | Very low | 225 Ų | 225 | 149 Ų | 149 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | trans | -111.5 | 135.9 | 168.6 | -128 | -174.3 | 177.8 | 168.6 | 0.4 | 107.7 | ||||
| 620 | T | 26 | Very low | 27.8 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 68% | 0.681 | 79% | 0.785 | S | S | * | * | trans | 73.3 | 107.2 | 137.4 | -60.4 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 621 | F | 26.9 | Very low | 27.6 | Very low | 186 Ų | 186 | 156.2 Ų | 156.2 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | 75.3 | 140.4 | 133 | -89.3 | -119 | 0 | 0 | 0 | 124.6 | ||||
| 622 | M | 27.9 | Very low | 27.5 | Very low | 160 Ų | 160 | 155.1 Ų | 155.1 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | -174.2 | 160.8 | 115.6 | -95.2 | -59.9 | -174.4 | 0 | 0 | 107.6 | |||||
| 623 | Q | 30.7 | Very low | 28.1 | Very low | 149 Ų | 149 | 154 Ų | 154 | 70% | 0.696 | 78% | 0.779 | S | S | * | * | cis | -151.3 | 165.8 | 1.3 | -148.5 | 174.7 | 65.2 | 0 | 0 | 105.4 | ||||
| 624 | L | 28 | Very low | 28.1 | Very low | 124 Ų | 124 | 156.1 Ų | 156.1 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | cis | -121.6 | -154.8 | 6.2 | -56.7 | 126.9 | 0 | 0 | 0 | 108.2 | ||||
| 625 | H | 29 | Very low | 27.9 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | cis | -147.6 | 142.3 | -1.4 | -133.6 | -70.1 | 0 | 0 | 0 | 107.7 | ||||
| 626 | P | 32.9 | Very low | 28 | Very low | 124 Ų | 124 | 144.4 Ų | 144.4 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -109.2 | 165.7 | -167.9 | 39.9 | -35.4 | 0 | 0 | 0 | 115.7 | ||||
| 627 | G | 29.7 | Very low | 28.2 | Very low | 59 Ų | 59 | 145.1 Ų | 145.1 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | trans | 165.3 | 114.7 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 628 | Y | 31.9 | Very low | 28.3 | Very low | 246 Ų | 246 | 145.3 Ų | 145.3 | 97% | 0.965 | 76% | 0.758 | S | S | * | * | trans | 59.1 | 151.5 | 161.6 | -56.7 | -90.8 | 0 | 0 | 0 | 118.8 | ||||
| 629 | G | 29.3 | Very low | 28.5 | Very low | 63 Ų | 63 | 140.8 Ų | 140.8 | 65% | 0.649 | 74% | 0.743 | S | S | * | * | cis | 164.2 | 112.9 | -11.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 630 | I | 26.6 | Very low | 28.6 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | 51.2 | 105.1 | 148.7 | -52.7 | 172.1 | 0 | 0 | 0 | 119 | ||||
| 631 | W | 24.9 | Very low | 28.9 | Very low | 244 Ų | 244 | 138.7 Ų | 138.7 | 92% | 0.924 | 74% | 0.744 | S | S | * | * | 171.8 | 174.4 | 111.3 | -105.5 | -31 | 0 | 0 | 0 | 114.4 | |||||
| 632 | S | 23.7 | Very low | 29 | Very low | 106 Ų | 106 | 134.3 Ų | 134.3 | 74% | 0.741 | 74% | 0.736 | S | S | * | * | trans | -164.4 | 170.6 | -179.6 | -68.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 633 | P | 40.5 | Very low | 28.8 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | cis | -131.2 | -156.8 | -41.3 | 37.8 | -19.5 | 0 | 0 | 0 | 111.8 | ||||
| 634 | N | 25.5 | Very low | 28.8 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 78% | 0.775 | 74% | 0.744 | S | S | * | * | trans | 76.4 | 147.3 | 174.7 | -46.1 | -37.2 | 0 | 0 | 0 | 114.2 | ||||
| 635 | T | 26.8 | Very low | 28.8 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | cis | -145.6 | 164.3 | 13.5 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 636 | T | 28.4 | Very low | 28.8 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | cis | -175.1 | 174.6 | -16.8 | 39.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 637 | T | 28.5 | Very low | 28.7 | Very low | 120 Ų | 120 | 132 Ų | 132 | 74% | 0.736 | 74% | 0.737 | S | S | * | * | trans | 67.4 | 153 | 157.4 | 48.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 638 | N | 28 | Very low | 28.6 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | cis | -159.1 | 156 | 1.8 | -125.7 | -12 | 0 | 0 | 0 | 113 | ||||
| 639 | N | 29.1 | Very low | 28.5 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 66% | 0.663 | 73% | 0.731 | S | S | * | * | trans | 41.7 | 151.7 | 135.9 | -69.6 | -19.6 | 0 | 0 | 0 | 123.5 | ||||
| 640 | N | 26.8 | Very low | 28.6 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 72% | 0.722 | 73% | 0.731 | S | S | * | * | cis | -175.9 | -169.8 | -24.5 | -128.8 | -43.6 | 0 | 0 | 0 | 108.6 | ||||
| 641 | I | 31 | Very low | 28.7 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | trans | 77.9 | 133.8 | 166.1 | -52.5 | 175.2 | 0 | 0 | 0 | 115.9 | ||||
| 642 | S | 29.6 | Very low | 28.7 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 73% | 0.725 | S | S | * | * | cis | -164.9 | 144.1 | -22.4 | 58.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 643 | C | 24.2 | Very low | 29.3 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | trans | 27.5 | 132 | 140.9 | -47 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 644 | I | 30 | Very low | 28.7 | Very low | 170 Ų | 170 | 127.1 Ų | 127.1 | 87% | 0.872 | 73% | 0.728 | S | S | * | * | -163.9 | 155.2 | 123.2 | -101.9 | 156.7 | 0 | 0 | 0 | 111.6 | |||||
| 645 | S | 29.3 | Very low | 28.8 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 73% | 0.729 | S | S | * | * | trans | -70.1 | 177.4 | -170.9 | 68.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 646 | N | 28.8 | Very low | 28.9 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | cis | -167.6 | 147.3 | 16.8 | -129 | -11.1 | 0 | 0 | 0 | 112.8 | ||||
| 647 | K | 30.4 | Very low | 28.8 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | 45.8 | 116.7 | 145 | -61.2 | -170.9 | 178.3 | -168.9 | 0 | 125.9 | ||||
| 648 | D | 27.2 | Very low | 29.3 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | 58.9 | 141.4 | 111.6 | -38.3 | -27.8 | 0 | 0 | 0 | 125.3 | |||||
| 649 | N | 30.7 | Very low | 29.4 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 79% | 0.786 | 75% | 0.746 | S | S | * | * | trans | 76.7 | 145.6 | 149.6 | -67.9 | -12.3 | 0 | 0 | 0 | 120 | ||||
| 650 | I | 31.5 | Very low | 29.6 | Very low | 125 Ų | 125 | 131 Ų | 131 | 64% | 0.641 | 75% | 0.75 | S | S | * | * | cis | -161.3 | 149 | 0.9 | -120.6 | 168.6 | 0 | 0 | 0 | 113.8 | ||||
| 651 | L | 27.5 | Very low | 29.8 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 85% | 0.848 | 76% | 0.756 | S | S | * | * | trans | 54 | 160.6 | 159.6 | -88.6 | 70.6 | 0 | 0 | 0 | 125 | ||||
| 652 | S | 24.5 | Very low | 29.9 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -115.1 | -163.4 | -172.9 | 65.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 653 | P | 37.8 | Very low | 29.7 | Very low | 122 Ų | 122 | 137.3 Ų | 137.3 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | cis | -122.7 | -141.2 | -5.1 | 27.6 | -0.3 | 0 | 0 | 0 | 111.2 | ||||
| 654 | A | 26.6 | Very low | 30.1 | Very low | 81 Ų | 81 | 139.7 Ų | 139.7 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -163.6 | 171.8 | 9.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 655 | T | 27.5 | Very low | 30 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 80% | 0.798 | 77% | 0.768 | S | S | * | * | trans | 44.4 | 109.7 | 154.9 | -41.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 656 | V | 29.5 | Very low | 30 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | 176.9 | 137.4 | 119.9 | 150.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 657 | H | 26.7 | Very low | 30.1 | Very low | 185 Ų | 185 | 140.2 Ų | 140.2 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | trans | -133.6 | 176 | 173.7 | -97.4 | -39.4 | 0 | 0 | 0 | 109.2 | ||||
| 658 | P | 38.1 | Very low | 30.2 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | cis | -136 | -167.4 | 9 | 27.9 | -2.3 | 0 | 0 | 0 | 115.8 | ||||
| 659 | L | 29.7 | Very low | 30.3 | Very low | 157 Ų | 157 | 142.7 Ų | 142.7 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 99.9 | 145.7 | 155.7 | -57.7 | -172.9 | 0 | 0 | 0 | 119.3 | ||||
| 660 | P | 34.1 | Very low | 30.3 | Very low | 114 Ų | 114 | 143.4 Ų | 143.4 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | trans | -127.1 | 161.7 | -130.1 | 42.4 | -30.9 | 0 | 0 | 0 | 117.5 | ||||
| 661 | I | 31.8 | Very low | 30.4 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 86% | 0.856 | 76% | 0.762 | S | S | * | * | trans | -140 | 141.1 | 167.3 | -62.1 | -176.5 | 0 | 0 | 0 | 108.6 | ||||
| 662 | P | 32.2 | Very low | 30.6 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | trans | -97.4 | 153.7 | -165.3 | 36.6 | -36.8 | 0 | 0 | 0 | 116.8 | ||||
| 663 | R | 25.4 | Very low | 31.3 | Very low | 241 Ų | 241 | 135 Ų | 135 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | trans | 56.3 | 107 | 156 | -66.3 | 178.4 | 178.4 | 175.7 | -0.4 | 119.2 | ||||
| 664 | I | 31.9 | Very low | 31.4 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 85% | 0.851 | 72% | 0.717 | S | S | * | * | -130 | 141.1 | 116.8 | -64.3 | -173.5 | 0 | 0 | 0 | 107.2 | |||||
| 665 | K | 28.4 | Very low | 32.1 | Very low | 208 Ų | 208 | 132 Ų | 132 | 90% | 0.904 | 71% | 0.706 | S | S | * | * | trans | -84.4 | 119.4 | 173.3 | -77.3 | -169.7 | 174.3 | -167.9 | 0 | 110.3 | ||||
| 666 | A | 29.5 | Very low | 32.8 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 72% | 0.719 | 69% | 0.689 | S | S | * | * | trans | -137.1 | 122 | 149.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 667 | P | 30.9 | Very low | 33.4 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 72% | 0.721 | 66% | 0.663 | S | S | * | * | trans | -68 | 147.1 | 174 | 30.1 | -33.5 | 0 | 0 | 0 | 109.2 | ||||
| 668 | P | 31.8 | Very low | 34 | Very low | 93 Ų | 93 | 120.2 Ų | 120.2 | 60% | 0.604 | 64% | 0.639 | S | S | * | * | trans | -58 | 147.3 | 161.9 | 29 | -33.9 | 0 | 0 | 0 | 108.5 | Y670 | P668-Y670 VanDerWaalsContact C-N 3.27Å; P668-Y670 HydrophobicContact CG-CD2 4.45Å; P668-Y670 HydrophobicContact CG-CE2 4.16Å; P668-Y670 PolarHBondContact O-N 3.05Å | ||
| 669 | R | 30 | Very low | 34.4 | Very low | 251 Ų | 251 | 119 Ų | 119 | 95% | 0.947 | 63% | 0.63 | S | S | * | * | trans | -72.5 | 90.9 | 167 | -78.5 | -176.8 | 173.1 | 176.8 | -2.9 | 107.6 | A671 | R669-A671 PolarHBondContact O-N 3.17Š| ||
| 670 | Y | 31.4 | Very low | 35.3 | Very low | 161 Ų | 161 | 113.1 Ų | 113.1 | 63% | 0.631 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 124.3 | 163.2 | -74.7 | -85.4 | 0 | 0 | 0 | 108.6 | P668 S672 | P668-Y670 VanDerWaalsContact C-N 3.27Å; P668-Y670 HydrophobicContact CG-CD2 4.45Å; P668-Y670 HydrophobicContact CG-CE2 4.16Å; P668-Y670 PolarHBondContact O-N 3.05Å; Y670-S672 PolarHBondContact O-N 2.95Å |
| 671 | A | 32.1 | Very low | 35.9 | Very low | 50 Ų | 50 | 110.1 Ų | 110.1 | 41% | 0.413 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -62.6 | 121 | 156.9 | 0 | 0 | 0 | 0 | 0 | 105.5 | R669 V675 I676 | R669-A671 PolarHBondContact O-N 3.17Å; A671-V675 HydrophobicContact CB-CB 4.23Å; A671-V675 HydrophobicContact CB-CG1 4.35Å; A671-I676 HydrophobicContact CB-CD1 4.37Å; A671-I676 HydrophobicContact CB-CG1 4.13Å |
| 672 | S | 33.5 | Very low | 36.6 | Very low | 75 Ų | 75 | 108.4 Ų | 108.4 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 148.3 | -176.5 | 49.5 | 0 | 0 | 0 | 0 | 110.4 | Y670 A674 V675 | Y670-S672 PolarHBondContact O-N 2.95Å; S672-A674 CarbonylContact O-C 3.21Å; S672-A674 PolarHBondContact O-N 3.32Å; S672-V675 PolarHBondContact O-N 3.39Å |
| 673 | R | 39.2 | Very low | 37.4 | Very low | 87 Ų | 87 | 109.7 Ų | 109.7 | 33% | 0.328 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -36.1 | -39.8 | 177.2 | 169.6 | 154.2 | 153.7 | -177.8 | 0.8 | 115 | N677 D1114 E1119 | R673-N677 PolarHBondContact O-N 3.31Å; R673-D1114 WeakPolarHBondContact CD-OD2 3.47Å; R673-D1114 IonicContact CZ-OD2 2.66Å; R673-D1114 IonicContact NE-OD2 3.65Å; R673-D1114 IonicContact NH1-OD2 2.89Å; R673-D1114 PolarHBondContact NH1-OD2 3.39Å; R673-E1119 IonicContact CZ-OE1 3.13Å; R673-E1119 IonicContact CZ-OE2 2.71Å; R673-E1119 IonicContact NE-OE2 3.58Å; R673-E1119 IonicContact NH1-OE2 2.97Å; R673-E1119 PolarHBondContact NH1-OE2 3.37Å; R673-E1119 IonicContact NH2-OE1 2.71Å; R673-E1119 PolarHBondContact NH2-OE1 3.25Å; R673-E1119 IonicContact NH2-OE2 3.32Å; R673-E1119 PolarHBondContact NH2-OE2 3.46Å |
| 674 | A | 39.8 | Very low | 38.7 | Very low | 66 Ų | 66 | 98.9 Ų | 98.9 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -49.6 | -57.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S672 I676 D678 | S672-A674 CarbonylContact O-C 3.21Å; S672-A674 PolarHBondContact O-N 3.32Å; A674-I676 PolarHBondContact O-N 2.54Å; A674-D678 WeakPolarHBondContact O-CA 3.46Å; A674-D678 WeakPolarHBondContact O-CB 3.48Å; A674-D678 PolarHBondContact O-N 2.79Å |
| 675 | V | 40.6 | Very low | 39.4 | Very low | 74 Ų | 74 | 93.1 Ų | 93.1 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.6 | -36.5 | -171.4 | -178.1 | 0 | 0 | 0 | 0 | 113.7 | A671 S672 T679 | A671-V675 HydrophobicContact CB-CB 4.23Å; A671-V675 HydrophobicContact CB-CG1 4.35Å; S672-V675 PolarHBondContact O-N 3.39Å; V675-T679 WeakPolarHBondContact O-CB 3.47Å; V675-T679 VanDerWaalsContact O-CG2 3.28Å; V675-T679 WeakPolarHBondContact O-CG2 3.36Å; V675-T679 PolarHBondContact O-N 3.38Å; V675-T679 VanDerWaalsContact O-N 3.08Å; V675-T679 PolarHBondContact O-OG1 3.32Å |
| 676 | I | 41.2 | Very low | 40.2 | Very low | 84 Ų | 84 | 89.5 Ų | 89.5 | 43% | 0.431 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.4 | -51.6 | -179.9 | -63 | 178.4 | 0 | 0 | 0 | 109.8 | A671 A674 D678 T679 Y680 | A671-I676 HydrophobicContact CB-CD1 4.37Å; A671-I676 HydrophobicContact CB-CG1 4.13Å; A674-I676 PolarHBondContact O-N 2.54Å; I676-D678 VanDerWaalsContact C-N 3.35Å; I676-D678 PolarHBondContact O-N 3.29Å; I676-T679 PolarHBondContact O-N 2.97Å; I676-T679 VanDerWaalsContact O-N 3.07Å; I676-T679 PolarHBondContact O-OG1 3.47Å; I676-T679 VanDerWaalsContact O-OG1 3.06Å; I676-Y680 PolarHBondContact O-N 2.88Å |
| 677 | N | 42.2 | Very low | 41.2 | Very low | 50 Ų | 50 | 89.1 Ų | 89.1 | 27% | 0.267 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 178.2 | -68.3 | 4 | 0 | 0 | 0 | 110.8 | R673 T679 M681 S1081 | R673-N677 PolarHBondContact O-N 3.31Å; N677-T679 PolarHBondContact O-N 3.19Å; N677-M681 WeakPolarHBondContact O-CA 3.37Å; N677-M681 WeakPolarHBondContact O-CB 3.41Å; N677-M681 WeakPolarHBondContact O-CG 3.48Å; N677-M681 PolarHBondContact O-N 3.14Å; N677-S1081 PolarHBondContact ND2-O 2.83Å |
| 678 | D | 40.4 | Very low | 42 | Very low | 67 Ų | 67 | 84.9 Ų | 84.9 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -74.3 | -0.5 | 174.7 | -160.7 | 78.1 | 0 | 0 | 0 | 113.9 | A674 I676 R682 | A674-D678 WeakPolarHBondContact O-CA 3.46Å; A674-D678 WeakPolarHBondContact O-CB 3.48Å; A674-D678 PolarHBondContact O-N 2.79Å; I676-D678 VanDerWaalsContact C-N 3.35Å; I676-D678 PolarHBondContact O-N 3.29Å; D678-R682 VanDerWaalsContact CG-CZ 3.44Å; D678-R682 WeakPolarHBondContact O-CB 3.46Å; D678-R682 WeakPolarHBondContact O-CG 3.31Å; D678-R682 IonicContact OD1-CZ 2.71Å; D678-R682 IonicContact OD1-NE 3.39Å; D678-R682 PolarHBondContact OD1-NE 2.95Å; D678-R682 IonicContact OD1-NH2 2.67Å; D678-R682 PolarHBondContact OD1-NH2 2.75Å; D678-R682 IonicContact OD2-CZ 2.72Å; D678-R682 IonicContact OD2-NE 3.86Å; D678-R682 PolarHBondContact OD2-NE 3.32Å; D678-R682 IonicContact OD2-NH1 3.99Å; D678-R682 IonicContact OD2-NH2 3.19Å; D678-R682 PolarHBondContact OD2-NH2 2.87Å |
| 679 | T | 47.2 | Very low | 42.8 | Very low | 79 Ų | 79 | 83.4 Ų | 83.4 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -108.2 | -42.5 | 167.3 | 49 | 0 | 0 | 0 | 0 | 113.2 | V675 I676 N677 R683 | V675-T679 WeakPolarHBondContact O-CB 3.47Å; V675-T679 VanDerWaalsContact O-CG2 3.28Å; V675-T679 WeakPolarHBondContact O-CG2 3.36Å; V675-T679 PolarHBondContact O-N 3.38Å; V675-T679 VanDerWaalsContact O-N 3.08Å; V675-T679 PolarHBondContact O-OG1 3.32Å; I676-T679 PolarHBondContact O-N 2.97Å; I676-T679 VanDerWaalsContact O-N 3.07Å; I676-T679 PolarHBondContact O-OG1 3.47Å; I676-T679 VanDerWaalsContact O-OG1 3.06Å; N677-T679 PolarHBondContact O-N 3.19Å; T679-R683 WeakPolarHBondContact O-CB 3.46Å; T679-R683 PolarHBondContact O-N 2.81Å |
| 680 | Y | 46.8 | Very low | 44.1 | Very low | 33 Ų | 33 | 75.4 Ų | 75.4 | 13% | 0.129 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -70.1 | -55.7 | 174.1 | -169.5 | -102.1 | 0 | 0 | 0 | 110.6 | I676 R682 R683 I684 D1069 | I676-Y680 PolarHBondContact O-N 2.88Å; Y680-R682 PolarHBondContact O-N 3.02Å; Y680-R683 WeakPolarHBondContact O-CB 3.42Å; Y680-R683 PolarHBondContact O-N 3.05Å; Y680-I684 HydrophobicContact CD1-CD1 3.82Å; Y680-I684 HydrophobicContact CE1-CD1 3.42Å; Y680-I684 VanDerWaalsContact CE1-CD1 3.42Å; Y680-I684 HydrophobicContact CE2-CD1 4.42Å; Y680-I684 HydrophobicContact CG-CD1 4.47Å; Y680-I684 PolarHBondContact O-N 3.03Å; Y680-I684 VanDerWaalsContact O-N 3.1Å; Y680-D1069 PolarHBondContact OH-OD2 2.71Å |
| 681 | M | 47.8 | Very low | 45.5 | Very low | 52 Ų | 52 | 73.5 Ų | 73.5 | 26% | 0.256 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.7 | -34.8 | 177.5 | -56.9 | -68.4 | -77.1 | 0 | 0 | 112.1 | N677 R683 C685 C1047 | N677-M681 WeakPolarHBondContact O-CA 3.37Å; N677-M681 WeakPolarHBondContact O-CB 3.41Å; N677-M681 WeakPolarHBondContact O-CG 3.48Å; N677-M681 PolarHBondContact O-N 3.14Å; M681-R683 VanDerWaalsContact C-N 3.31Å; M681-R683 PolarHBondContact O-N 2.87Å; M681-C685 WeakPolarHBondContact O-CA 3.39Å; M681-C685 WeakPolarHBondContact O-CB 3.38Å; M681-C685 PolarHBondContact O-N 3Å; M681-C685 PolarHBondContact O-SG 3.43Å; M681-C1047 HydrophobicContact CE-CB 3.92Å; M681-C1047 WeakPolarHBondContact CE-O 3.46Å; M681-C1047 HydrophobicContact SD-CB 3.85Å |
| 682 | R | 47.2 | Very low | 46.3 | Very low | 130 Ų | 130 | 78.9 Ų | 78.9 | 49% | 0.491 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -79.5 | -1.7 | 170.5 | -64.5 | -162 | -173.6 | 169 | 28.3 | 114.8 | D678 Y680 R686 | D678-R682 VanDerWaalsContact CG-CZ 3.44Å; D678-R682 WeakPolarHBondContact O-CB 3.46Å; D678-R682 WeakPolarHBondContact O-CG 3.31Å; D678-R682 IonicContact OD1-CZ 2.71Å; D678-R682 IonicContact OD1-NE 3.39Å; D678-R682 PolarHBondContact OD1-NE 2.95Å; D678-R682 IonicContact OD1-NH2 2.67Å; D678-R682 PolarHBondContact OD1-NH2 2.75Å; D678-R682 IonicContact OD2-CZ 2.72Å; D678-R682 IonicContact OD2-NE 3.86Å; D678-R682 PolarHBondContact OD2-NE 3.32Å; D678-R682 IonicContact OD2-NH1 3.99Å; D678-R682 IonicContact OD2-NH2 3.19Å; D678-R682 PolarHBondContact OD2-NH2 2.87Å; Y680-R682 PolarHBondContact O-N 3.02Å; R682-R686 WeakPolarHBondContact O-CB 3.39Å; R682-R686 PolarHBondContact O-NE 3.43Å; R682-R686 VanDerWaalsContact O-NE 3.1Å |
| 683 | R | 48.2 | Very low | 47.4 | Very low | 138 Ų | 138 | 81.6 Ų | 81.6 | 52% | 0.521 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -83.1 | -62.6 | 164.1 | -171.8 | 175.8 | -68.3 | 155.9 | 0.2 | 107.2 | T679 Y680 M681 C685 R686 D687 | T679-R683 WeakPolarHBondContact O-CB 3.46Å; T679-R683 PolarHBondContact O-N 2.81Å; Y680-R683 WeakPolarHBondContact O-CB 3.42Å; Y680-R683 PolarHBondContact O-N 3.05Å; M681-R683 VanDerWaalsContact C-N 3.31Å; M681-R683 PolarHBondContact O-N 2.87Å; R683-C685 PolarHBondContact O-N 3.05Å; R683-R686 PolarHBondContact O-N 3.25Å; R683-D687 PolarHBondContact O-N 2.75Å |
| 684 | I | 52.4 | Low | 48.7 | Very low | 15 Ų | 15 | 83.6 Ų | 83.6 | 8% | 0.077 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -50.3 | -56.4 | 177.8 | -59.2 | 176.7 | 0 | 0 | 0 | 111.4 | Y680 R686 S688 I1039 | Y680-I684 HydrophobicContact CD1-CD1 3.82Å; Y680-I684 HydrophobicContact CE1-CD1 3.42Å; Y680-I684 VanDerWaalsContact CE1-CD1 3.42Å; Y680-I684 HydrophobicContact CE2-CD1 4.42Å; Y680-I684 HydrophobicContact CG-CD1 4.47Å; Y680-I684 PolarHBondContact O-N 3.03Å; Y680-I684 VanDerWaalsContact O-N 3.1Å; I684-R686 PolarHBondContact O-N 3.14Å; I684-S688 VanDerWaalsContact O-CB 3.28Å; I684-S688 WeakPolarHBondContact O-CB 3.39Å; I684-S688 PolarHBondContact O-N 3.42Å; I684-S688 PolarHBondContact O-OG 3.1Å; I684-I1039 HydrophobicContact CD1-CD1 3.83Å; I684-I1039 HydrophobicContact CG1-CD1 3.77Å |
| 685 | C | 46.6 | Very low | 50 | Low | 45 Ų | 45 | 81.8 Ų | 81.8 | 30% | 0.304 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -73.9 | -20.3 | -178.3 | -59.6 | 0 | 0 | 0 | 0 | 113.9 | M681 R683 S688 V689 | M681-C685 WeakPolarHBondContact O-CA 3.39Å; M681-C685 WeakPolarHBondContact O-CB 3.38Å; M681-C685 PolarHBondContact O-N 3Å; M681-C685 PolarHBondContact O-SG 3.43Å; R683-C685 PolarHBondContact O-N 3.05Å; C685-S688 WeakPolarHBondContact CA-OG 3.34Å; C685-S688 PolarHBondContact O-OG 3.04Å; C685-V689 WeakPolarHBondContact O-CB 3.23Å; C685-V689 WeakPolarHBondContact O-CG2 3.32Å; C685-V689 PolarHBondContact O-N 2.91Å; C685-V689 VanDerWaalsContact O-N 3.08Å |
| 686 | R | 46.4 | Very low | 50.7 | Low | 131 Ų | 131 | 80.1 Ų | 80.1 | 49% | 0.494 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -82.8 | -45 | 176.2 | -174.2 | -168.7 | -39.9 | -160.1 | 2.5 | 111.1 | R682 R683 I684 V689 E690 | R682-R686 WeakPolarHBondContact O-CB 3.39Å; R682-R686 PolarHBondContact O-NE 3.43Å; R682-R686 VanDerWaalsContact O-NE 3.1Å; R683-R686 PolarHBondContact O-N 3.25Å; I684-R686 PolarHBondContact O-N 3.14Å; R686-V689 PolarHBondContact O-N 2.98Å; R686-E690 HydrophobicContact CG-CG 4.47Å; R686-E690 VanDerWaalsContact O-CB 3.24Å; R686-E690 WeakPolarHBondContact O-CB 3.24Å; R686-E690 WeakPolarHBondContact O-CG 3.32Å; R686-E690 PolarHBondContact O-N 3.07Å |
| 687 | D | 49.8 | Very low | 51.7 | Low | 80 Ų | 80 | 78.9 Ų | 78.9 | 43% | 0.428 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -73.8 | -33.9 | -177.8 | -69.9 | -56.7 | 0 | 0 | 0 | 111 | R683 K691 | R683-D687 PolarHBondContact O-N 2.75Å; D687-K691 WeakPolarHBondContact O-CB 3.19Å; D687-K691 PolarHBondContact O-N 2.95Å |
| 688 | S | 47.8 | Very low | 53 | Low | 22 Ų | 22 | 82.9 Ų | 82.9 | 15% | 0.154 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -66.6 | -50.1 | 165.7 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | I684 C685 E690 K691 Y692 | I684-S688 VanDerWaalsContact O-CB 3.28Å; I684-S688 WeakPolarHBondContact O-CB 3.39Å; I684-S688 PolarHBondContact O-N 3.42Å; I684-S688 PolarHBondContact O-OG 3.1Å; C685-S688 WeakPolarHBondContact CA-OG 3.34Å; C685-S688 PolarHBondContact O-OG 3.04Å; S688-E690 PolarHBondContact O-N 3.14Å; S688-K691 CarbonylContact O-C 3.44Å; S688-K691 PolarHBondContact O-N 2.86Å; S688-Y692 WeakPolarHBondContact O-CB 3.17Å; S688-Y692 PolarHBondContact O-N 2.63Å |
| 689 | V | 48 | Very low | 54.4 | Low | 62 Ų | 62 | 83.8 Ų | 83.8 | 38% | 0.376 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69.9 | -28.4 | -179 | 173.9 | 0 | 0 | 0 | 0 | 112.6 | C685 R686 K693 | C685-V689 WeakPolarHBondContact O-CB 3.23Å; C685-V689 WeakPolarHBondContact O-CG2 3.32Å; C685-V689 PolarHBondContact O-N 2.91Å; C685-V689 VanDerWaalsContact O-N 3.08Å; R686-V689 PolarHBondContact O-N 2.98Å; V689-K693 HydrophobicContact CG1-CD 3.96Å; V689-K693 VanDerWaalsContact CG1-CE 3.49Å; V689-K693 HydrophobicContact CG1-CG 4.32Å; V689-K693 VanDerWaalsContact O-CB 3.25Å; V689-K693 WeakPolarHBondContact O-CB 3.36Å; V689-K693 WeakPolarHBondContact O-CD 3.38Å; V689-K693 WeakPolarHBondContact O-CG 3.46Å; V689-K693 PolarHBondContact O-N 2.78Å |
| 690 | E | 57.8 | Low | 55.3 | Low | 83 Ų | 83 | 88 Ų | 88 | 39% | 0.388 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -74 | -38.8 | 169.6 | -80 | -155 | -152.9 | 0 | 0 | 112.3 | R686 S688 Y692 K693 R694 | R686-E690 HydrophobicContact CG-CG 4.47Å; R686-E690 VanDerWaalsContact O-CB 3.24Å; R686-E690 WeakPolarHBondContact O-CB 3.24Å; R686-E690 WeakPolarHBondContact O-CG 3.32Å; R686-E690 PolarHBondContact O-N 3.07Å; S688-E690 PolarHBondContact O-N 3.14Å; E690-Y692 VanDerWaalsContact C-N 3.32Å; E690-K693 PolarHBondContact O-N 3.08Å; E690-R694 WeakPolarHBondContact O-CB 3.39Å; E690-R694 VanDerWaalsContact O-CG 3.25Å; E690-R694 WeakPolarHBondContact O-CG 3.39Å; E690-R694 PolarHBondContact O-N 3.05Å; E690-R694 IonicContact OE2-CZ 3.49Å; E690-R694 IonicContact OE2-NE 3.87Å; E690-R694 IonicContact OE2-NH2 3.39Å; E690-R694 PolarHBondContact OE2-NH2 3.44Å |
| 691 | K | 59.7 | Low | 56.1 | Low | 121 Ų | 121 | 90.9 Ų | 90.9 | 53% | 0.526 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 171.6 | -174.4 | -179.2 | -176.7 | -174.6 | 0 | 110.9 | D687 S688 R694 A695 | D687-K691 WeakPolarHBondContact O-CB 3.19Å; D687-K691 PolarHBondContact O-N 2.95Å; S688-K691 CarbonylContact O-C 3.44Å; S688-K691 PolarHBondContact O-N 2.86Å; K691-R694 PolarHBondContact O-N 3.49Å; K691-A695 VanDerWaalsContact O-CB 3.28Å; K691-A695 WeakPolarHBondContact O-CB 3.38Å; K691-A695 PolarHBondContact O-N 2.8Å |
| 692 | Y | 49.9 | Very low | 56.9 | Low | 163 Ų | 163 | 90.9 Ų | 90.9 | 64% | 0.639 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -64.8 | -46.1 | 171.9 | -175.6 | -99.9 | 0 | 0 | 0 | 112 | S688 E690 R694 A695 A696 | S688-Y692 WeakPolarHBondContact O-CB 3.17Å; S688-Y692 PolarHBondContact O-N 2.63Å; E690-Y692 VanDerWaalsContact C-N 3.32Å; Y692-R694 VanDerWaalsContact C-N 3.32Å; Y692-R694 PolarHBondContact O-N 3.33Å; Y692-A695 PolarHBondContact O-N 2.99Å; Y692-A696 HydrophobicContact CE1-CB 4.34Å; Y692-A696 WeakPolarHBondContact O-CA 3.48Å; Y692-A696 WeakPolarHBondContact O-CB 3.43Å; Y692-A696 PolarHBondContact O-N 3.32Å |
| 693 | K | 55.7 | Low | 57.2 | Low | 131 Ų | 131 | 85.8 Ų | 85.8 | 57% | 0.57 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.3 | -38.3 | 175.6 | -79.2 | 165.2 | -179.1 | 166.9 | 0 | 112.3 | V689 E690 S697 | V689-K693 HydrophobicContact CG1-CD 3.96Å; V689-K693 VanDerWaalsContact CG1-CE 3.49Å; V689-K693 HydrophobicContact CG1-CG 4.32Å; V689-K693 VanDerWaalsContact O-CB 3.25Å; V689-K693 WeakPolarHBondContact O-CB 3.36Å; V689-K693 WeakPolarHBondContact O-CD 3.38Å; V689-K693 WeakPolarHBondContact O-CG 3.46Å; V689-K693 PolarHBondContact O-N 2.78Å; E690-K693 PolarHBondContact O-N 3.08Å; K693-S697 WeakPolarHBondContact O-CB 3.44Å; K693-S697 PolarHBondContact O-N 2.84Å |
| 694 | R | 67.1 | Low | 57.5 | Low | 130 Ų | 130 | 82 Ų | 82 | 49% | 0.491 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -68.2 | -51.8 | 174.7 | -69.4 | 175.5 | -140.4 | 137.2 | 0.6 | 110.7 | E690 K691 Y692 A696 S697 E698 | E690-R694 WeakPolarHBondContact O-CB 3.39Å; E690-R694 VanDerWaalsContact O-CG 3.25Å; E690-R694 WeakPolarHBondContact O-CG 3.39Å; E690-R694 PolarHBondContact O-N 3.05Å; E690-R694 IonicContact OE2-CZ 3.49Å; E690-R694 IonicContact OE2-NE 3.87Å; E690-R694 IonicContact OE2-NH2 3.39Å; E690-R694 PolarHBondContact OE2-NH2 3.44Å; K691-R694 PolarHBondContact O-N 3.49Å; Y692-R694 VanDerWaalsContact C-N 3.32Å; Y692-R694 PolarHBondContact O-N 3.33Å; R694-A696 PolarHBondContact O-N 3.46Å; R694-S697 WeakPolarHBondContact O-CB 3.28Å; R694-S697 PolarHBondContact O-N 2.97Å; R694-E698 WeakPolarHBondContact O-CB 3.3Å; R694-E698 WeakPolarHBondContact O-CG 3.48Å; R694-E698 PolarHBondContact O-N 3.39Å |
| 695 | A | 67.4 | Low | 57.3 | Low | 28 Ų | 28 | 87.6 Ų | 87.6 | 23% | 0.231 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K691 Y692 E698 I699 | K691-A695 VanDerWaalsContact O-CB 3.28Å; K691-A695 WeakPolarHBondContact O-CB 3.38Å; K691-A695 PolarHBondContact O-N 2.8Å; Y692-A695 PolarHBondContact O-N 2.99Å; A695-E698 PolarHBondContact O-N 3.17Å; A695-I699 VanDerWaalsContact O-CB 3.31Å; A695-I699 WeakPolarHBondContact O-CB 3.48Å; A695-I699 WeakPolarHBondContact O-CD1 3.31Å; A695-I699 WeakPolarHBondContact O-CG1 3.37Å; A695-I699 PolarHBondContact O-N 3.06Å |
| 696 | A | 55 | Low | 57.2 | Low | 38 Ų | 38 | 91.3 Ų | 91.3 | 31% | 0.314 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.9 | -35.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y692 R694 Y700 | Y692-A696 HydrophobicContact CE1-CB 4.34Å; Y692-A696 WeakPolarHBondContact O-CA 3.48Å; Y692-A696 WeakPolarHBondContact O-CB 3.43Å; Y692-A696 PolarHBondContact O-N 3.32Å; R694-A696 PolarHBondContact O-N 3.46Å; A696-Y700 WeakPolarHBondContact O-CB 3.46Å; A696-Y700 PolarHBondContact O-N 2.67Å |
| 697 | S | 63.2 | Low | 56.8 | Low | 59 Ų | 59 | 91.5 Ų | 91.5 | 41% | 0.413 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.7 | -43.1 | 171.7 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | K693 R694 Y700 L701 | K693-S697 WeakPolarHBondContact O-CB 3.44Å; K693-S697 PolarHBondContact O-N 2.84Å; R694-S697 WeakPolarHBondContact O-CB 3.28Å; R694-S697 PolarHBondContact O-N 2.97Å; S697-Y700 PolarHBondContact O-N 3.19Å; S697-L701 VanDerWaalsContact O-CB 3.29Å; S697-L701 WeakPolarHBondContact O-CB 3.32Å; S697-L701 WeakPolarHBondContact O-CD1 3.43Å; S697-L701 WeakPolarHBondContact O-CG 3.28Å; S697-L701 PolarHBondContact O-N 2.94Å |
| 698 | E | 69.1 | Low | 56.2 | Low | 133 Ų | 133 | 94.8 Ų | 94.8 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.4 | -42 | 175.3 | -74.3 | 173.1 | -164.1 | 0 | 0 | 111.9 | R694 A695 L701 A702 | R694-E698 WeakPolarHBondContact O-CB 3.3Å; R694-E698 WeakPolarHBondContact O-CG 3.48Å; R694-E698 PolarHBondContact O-N 3.39Å; A695-E698 PolarHBondContact O-N 3.17Å; E698-L701 PolarHBondContact O-N 2.79Å; E698-A702 WeakPolarHBondContact O-CB 3.47Å; E698-A702 PolarHBondContact O-N 3.38Å |
| 699 | I | 70.5 | Confident | 55.5 | Low | 87 Ų | 87 | 98.5 Ų | 98.5 | 45% | 0.446 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68 | -38.8 | 174.4 | -71.3 | 165.9 | 0 | 0 | 0 | 111 | A695 G703 F1003 | A695-I699 VanDerWaalsContact O-CB 3.31Å; A695-I699 WeakPolarHBondContact O-CB 3.48Å; A695-I699 WeakPolarHBondContact O-CD1 3.31Å; A695-I699 WeakPolarHBondContact O-CG1 3.37Å; A695-I699 PolarHBondContact O-N 3.06Å; I699-G703 WeakPolarHBondContact O-CA 3.05Å; I699-G703 PolarHBondContact O-N 2.85Å; I699-F1003 HydrophobicContact CD1-CZ 3.8Å |
| 700 | Y | 64.3 | Low | 54.6 | Low | 167 Ų | 167 | 104 Ų | 104 | 66% | 0.655 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.1 | -42.5 | 175.1 | -177.9 | -101.9 | 0 | 0 | 0 | 111.3 | A696 S697 G703 V704 | A696-Y700 WeakPolarHBondContact O-CB 3.46Å; A696-Y700 PolarHBondContact O-N 2.67Å; S697-Y700 PolarHBondContact O-N 3.19Å; Y700-G703 CarbonylContact O-C 3.6Å; Y700-G703 PolarHBondContact O-N 3.15Å; Y700-V704 HydrophobicContact CD1-CG2 4.12Å; Y700-V704 HydrophobicContact CD2-CG2 4.3Å; Y700-V704 HydrophobicContact CE1-CG2 3.77Å; Y700-V704 HydrophobicContact CE2-CG2 3.97Å; Y700-V704 HydrophobicContact CG-CG2 4.38Å; Y700-V704 WeakPolarHBondContact O-CB 3.42Å; Y700-V704 VanDerWaalsContact O-CG2 3.28Å; Y700-V704 WeakPolarHBondContact O-CG2 3.41Å; Y700-V704 PolarHBondContact O-N 3.23Å |
| 701 | L | 64.4 | Low | 53.3 | Low | 93 Ų | 93 | 105.4 Ų | 105.4 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.5 | -44.2 | 174.3 | -73.6 | 165 | 0 | 0 | 0 | 111.4 | S697 E698 G703 N705 | S697-L701 VanDerWaalsContact O-CB 3.29Å; S697-L701 WeakPolarHBondContact O-CB 3.32Å; S697-L701 WeakPolarHBondContact O-CD1 3.43Å; S697-L701 WeakPolarHBondContact O-CG 3.28Å; S697-L701 PolarHBondContact O-N 2.94Å; E698-L701 PolarHBondContact O-N 2.79Å; L701-G703 VanDerWaalsContact C-N 3.27Å; L701-G703 PolarHBondContact O-N 3.49Å; L701-N705 WeakPolarHBondContact O-CB 3.08Å; L701-N705 PolarHBondContact O-N 3.25Å; L701-N705 PolarHBondContact O-ND2 2.74Å |
| 702 | A | 63.9 | Low | 51.8 | Low | 53 Ų | 53 | 104.3 Ų | 104.3 | 44% | 0.438 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.9 | -29.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E698 K706 | E698-A702 WeakPolarHBondContact O-CB 3.47Å; E698-A702 PolarHBondContact O-N 3.38Å; A702-K706 WeakPolarHBondContact O-CG 3.43Å; A702-K706 PolarHBondContact O-N 2.81Å |
| 703 | G | 54.3 | Low | 50.7 | Low | 22 Ų | 22 | 102 Ų | 102 | 23% | 0.227 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -73 | -52.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | I699 Y700 L701 N705 K706 L707 | I699-G703 WeakPolarHBondContact O-CA 3.05Å; I699-G703 PolarHBondContact O-N 2.85Å; Y700-G703 CarbonylContact O-C 3.6Å; Y700-G703 PolarHBondContact O-N 3.15Å; L701-G703 VanDerWaalsContact C-N 3.27Å; L701-G703 PolarHBondContact O-N 3.49Å; G703-N705 VanDerWaalsContact C-N 3.32Å; G703-N705 PolarHBondContact O-N 2.91Å; G703-K706 CarbonylContact O-C 3.59Å; G703-K706 WeakPolarHBondContact O-CA 3.38Å; G703-K706 WeakPolarHBondContact O-CB 3.49Å; G703-K706 PolarHBondContact O-N 3.41Å; G703-L707 VanDerWaalsContact O-CB 3.31Å; G703-L707 WeakPolarHBondContact O-CB 3.38Å; G703-L707 WeakPolarHBondContact O-CG 3.42Å; G703-L707 PolarHBondContact O-N 3.32Å |
| 704 | V | 54.8 | Low | 49.5 | Very low | 59 Ų | 59 | 101 Ų | 101 | 36% | 0.358 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.6 | -41.5 | 175.9 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | Y700 K706 L707 N708 | Y700-V704 HydrophobicContact CD1-CG2 4.12Å; Y700-V704 HydrophobicContact CD2-CG2 4.3Å; Y700-V704 HydrophobicContact CE1-CG2 3.77Å; Y700-V704 HydrophobicContact CE2-CG2 3.97Å; Y700-V704 HydrophobicContact CG-CG2 4.38Å; Y700-V704 WeakPolarHBondContact O-CB 3.42Å; Y700-V704 VanDerWaalsContact O-CG2 3.28Å; Y700-V704 WeakPolarHBondContact O-CG2 3.41Å; Y700-V704 PolarHBondContact O-N 3.23Å; V704-K706 PolarHBondContact O-N 2.91Å; V704-K706 VanDerWaalsContact O-N 3.12Å; V704-L707 PolarHBondContact O-N 2.9Å; V704-N708 WeakPolarHBondContact O-CB 3.23Å; V704-N708 PolarHBondContact O-N 2.84Å |
| 705 | N | 48.6 | Very low | 47.4 | Very low | 132 Ų | 132 | 99.8 Ų | 99.8 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.5 | -9 | 173.8 | -72.3 | -37 | 0 | 0 | 0 | 114.2 | L701 G703 | L701-N705 WeakPolarHBondContact O-CB 3.08Å; L701-N705 PolarHBondContact O-N 3.25Å; L701-N705 PolarHBondContact O-ND2 2.74Å; G703-N705 VanDerWaalsContact C-N 3.32Å; G703-N705 PolarHBondContact O-N 2.91Å |
| 706 | K | 44.5 | Very low | 45.5 | Very low | 124 Ų | 124 | 105.7 Ų | 105.7 | 54% | 0.539 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -108.2 | -28.1 | 170.3 | -76.7 | 178 | 174.4 | 177.8 | 0 | 113.9 | A702 G703 V704 | A702-K706 WeakPolarHBondContact O-CG 3.43Å; A702-K706 PolarHBondContact O-N 2.81Å; G703-K706 CarbonylContact O-C 3.59Å; G703-K706 WeakPolarHBondContact O-CA 3.38Å; G703-K706 WeakPolarHBondContact O-CB 3.49Å; G703-K706 PolarHBondContact O-N 3.41Å; V704-K706 PolarHBondContact O-N 2.91Å; V704-K706 VanDerWaalsContact O-N 3.12Å |
| 707 | L | 36.2 | Very low | 44 | Very low | 135 Ų | 135 | 113.7 Ų | 113.7 | 71% | 0.707 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -99 | -9.5 | -173.3 | -68.7 | 173.1 | 0 | 0 | 0 | 113.6 | G703 V704 V709 | G703-L707 VanDerWaalsContact O-CB 3.31Å; G703-L707 WeakPolarHBondContact O-CB 3.38Å; G703-L707 WeakPolarHBondContact O-CG 3.42Å; G703-L707 PolarHBondContact O-N 3.32Å; V704-L707 PolarHBondContact O-N 2.9Å; L707-V709 PolarHBondContact O-N 3.21Å |
| 708 | N | 37.4 | Very low | 42.2 | Very low | 148 Ų | 148 | 115.3 Ų | 115.3 | 79% | 0.791 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -69.8 | 21.7 | 159.9 | -152.6 | 17.5 | 0 | 0 | 0 | 112.7 | V704 | V704-N708 WeakPolarHBondContact O-CB 3.23Å; V704-N708 PolarHBondContact O-N 2.84Å |
| 709 | V | 34.5 | Very low | 40.2 | Very low | 100 Ų | 100 | 114.1 Ų | 114.1 | 61% | 0.606 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -123.3 | 87.7 | 168.2 | -177.8 | 0 | 0 | 0 | 0 | 107.3 | L707 | L707-V709 PolarHBondContact O-N 3.21Š|
| 710 | K | 28.7 | Very low | 38.2 | Very low | 179 Ų | 179 | 116.7 Ų | 116.7 | 78% | 0.778 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 104.3 | 106 | 168.4 | -57.6 | 161.5 | -178.3 | 176.3 | 0 | 118.1 | ||
| 711 | S | 30 | Very low | 36.5 | Very low | 112 Ų | 112 | 114.5 Ų | 114.5 | 78% | 0.783 | 67% | 0.674 | S | S | * | * | trans | 61.5 | 143.4 | 135.3 | 50.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 712 | S | 27.8 | Very low | 34.6 | Very low | 98 Ų | 98 | 116.3 Ų | 116.3 | 69% | 0.685 | 69% | 0.69 | S | S | * | * | cis | -174.6 | 143.8 | 4.1 | 41 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 713 | S | 26.8 | Very low | 33 | Very low | 114 Ų | 114 | 121.8 Ų | 121.8 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | trans | 65.8 | 172 | 145.2 | -55.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 714 | P | 30.7 | Very low | 32 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | cis | -135.3 | 173.8 | 0.3 | 43.3 | -26.8 | 0 | 0 | 0 | 118.2 | ||||
| 715 | S | 24.5 | Very low | 30.5 | Very low | 103 Ų | 103 | 128 Ų | 128 | 72% | 0.72 | 75% | 0.749 | S | S | * | * | trans | 87.8 | 140.9 | 142.4 | 77.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 716 | L | 26.3 | Very low | 29.5 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | trans | 61.4 | 85 | 147.5 | -75.2 | 161.3 | 0 | 0 | 0 | 121.4 | ||||
| 717 | Q | 23.2 | Very low | 28.5 | Very low | 206 Ų | 206 | 128.3 Ų | 128.3 | 96% | 0.963 | 76% | 0.761 | S | S | * | * | -137.3 | 135.3 | 122.8 | -75.5 | -161.3 | -5.1 | 0 | 0 | 110.8 | |||||
| 718 | S | 26.3 | Very low | 28.2 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 65% | 0.65 | 77% | 0.767 | S | S | * | * | trans | -148.1 | 98.2 | 175 | 56.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 719 | S | 25.8 | Very low | 27.6 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | 88.6 | 108.5 | 82.8 | 68.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 720 | T | 28.9 | Very low | 27.4 | Very low | 142 Ų | 142 | 131.3 Ų | 131.3 | 87% | 0.871 | 76% | 0.764 | S | S | * | * | trans | -72.7 | 135.2 | 158.6 | 37.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 721 | P | 28.9 | Very low | 27.6 | Very low | 120 Ų | 120 | 130 Ų | 130 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | -99 | 166.2 | 171.5 | 36.9 | -32.4 | 0 | 0 | 0 | 112.2 | ||||
| 722 | T | 25.3 | Very low | 27.5 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 81% | 0.81 | 76% | 0.761 | S | S | * | * | trans | -135.9 | 133 | 172.4 | -55 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 723 | I | 30.7 | Very low | 27.6 | Very low | 168 Ų | 168 | 130.8 Ų | 130.8 | 86% | 0.862 | 77% | 0.766 | S | S | * | * | trans | -175.1 | 150.5 | 146.8 | -101.4 | 154.4 | 0 | 0 | 0 | 110 | ||||
| 724 | P | 33 | Very low | 27.9 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | trans | -123.5 | 175.8 | -159.1 | 42.4 | -29.6 | 0 | 0 | 0 | 115.4 | ||||
| 725 | S | 23 | Very low | 27.8 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 161.9 | 143.1 | 129.3 | -72.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 726 | S | 26.5 | Very low | 28 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | trans | 57.5 | 155.3 | 167.2 | 59.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 727 | E | 25.1 | Very low | 28.3 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 72% | 0.724 | 76% | 0.757 | S | S | * | * | cis | -160.1 | 148.3 | -14.3 | -114.3 | 171.1 | -139.4 | 0 | 0 | 104 | ||||
| 728 | W | 27.9 | Very low | 28.6 | Very low | 223 Ų | 223 | 129.9 Ų | 129.9 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | cis | -149.8 | 164.9 | 37.5 | -76.8 | -53 | 0 | 0 | 0 | 113.8 | ||||
| 729 | S | 26 | Very low | 28.7 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | trans | -39.8 | 147.7 | 167.3 | 52.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 730 | N | 30.7 | Very low | 28.9 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | -172.3 | 130.5 | 99.2 | -93.5 | -41.7 | 0 | 0 | 0 | 115 | |||||
| 731 | N | 31.4 | Very low | 28.7 | Very low | 151 Ų | 151 | 137 Ų | 137 | 81% | 0.807 | 74% | 0.742 | S | S | * | * | trans | 60.1 | 137 | 154.9 | -56.5 | -21.6 | 0 | 0 | 0 | 120.4 | ||||
| 732 | S | 29.4 | Very low | 28.7 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | cis | -171.2 | 137.1 | -9.8 | 50.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 733 | V | 30.4 | Very low | 28.8 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 78% | 0.782 | 75% | 0.748 | S | S | * | * | trans | 59.4 | 127.5 | 133.9 | 174.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 734 | T | 31.3 | Very low | 28.7 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | cis | -166.1 | 154.9 | -8.5 | 26.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 735 | S | 30 | Very low | 28.5 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 61% | 0.608 | 74% | 0.74 | S | S | * | * | trans | 52.3 | 118.2 | 143.1 | 70.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 736 | E | 28.2 | Very low | 28.9 | Very low | 180 Ų | 180 | 142 Ų | 142 | 84% | 0.841 | 74% | 0.74 | S | S | * | * | 75.4 | 154.5 | 94.2 | -64.8 | 172.2 | -160.7 | 0 | 0 | 115.1 | |||||
| 737 | H | 31.6 | Very low | 28.9 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 69% | 0.69 | 74% | 0.738 | S | S | * | * | cis | -147.9 | 176.4 | 0.8 | -149.5 | -112 | 0 | 0 | 0 | 112.1 | ||||
| 738 | H | 30.1 | Very low | 29.1 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 63% | 0.634 | 74% | 0.74 | S | S | * | * | trans | -33.7 | 136.1 | 176.6 | -73.9 | 72.1 | 0 | 0 | 0 | 121 | ||||
| 739 | Q | 29.3 | Very low | 29.3 | Very low | 148 Ų | 148 | 139.4 Ų | 139.4 | 69% | 0.692 | 74% | 0.736 | S | S | * | * | 60.6 | 118.2 | 116.3 | -157.6 | 170.7 | -4.3 | 0 | 0 | 122.6 | |||||
| 740 | Q | 28.9 | Very low | 29.5 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | trans | 62.4 | 115.4 | 149.5 | -70.3 | 172.5 | -51.7 | 0 | 0 | 122 | ||||
| 741 | Q | 26 | Very low | 29.4 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 88% | 0.879 | 75% | 0.746 | S | S | * | * | trans | 48.9 | 106.4 | 142.3 | -63.7 | -174.8 | -8.2 | 0 | 0 | 120.8 | ||||
| 742 | A | 27.4 | Very low | 29.3 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | 179.9 | 133.6 | 114.8 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 743 | Y | 28 | Very low | 29.5 | Very low | 241 Ų | 241 | 145.4 Ų | 145.4 | 95% | 0.945 | 75% | 0.748 | S | S | * | * | trans | -166.6 | 153.6 | 140.6 | -108.2 | -69.2 | 0 | 0 | 0 | 109.9 | ||||
| 744 | N | 28.1 | Very low | 29.6 | Very low | 134 Ų | 134 | 146.4 Ų | 146.4 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | trans | -161 | 144.8 | -154 | -161.2 | 11.3 | 0 | 0 | 0 | 113.4 | ||||
| 745 | I | 30.2 | Very low | 29.5 | Very low | 132 Ų | 132 | 147.3 Ų | 147.3 | 68% | 0.677 | 75% | 0.752 | S | S | * | * | trans | 55.8 | 139.7 | 154.7 | -84.3 | 168.3 | 0 | 0 | 0 | 118.9 | ||||
| 746 | N | 30 | Very low | 29.7 | Very low | 135 Ų | 135 | 151.8 Ų | 151.8 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | cis | -154.6 | 154.6 | -5.4 | -109.9 | -15.8 | 0 | 0 | 0 | 107.5 | ||||
| 747 | S | 25.9 | Very low | 29.7 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | 86.1 | 114.6 | 51.8 | -168.8 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 748 | M | 29.7 | Very low | 29.7 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | -165.9 | 122.9 | 147.3 | -98.4 | -142.7 | -174.8 | 0 | 0 | 113.6 | ||||
| 749 | K | 32 | Very low | 29.5 | Very low | 173 Ų | 173 | 149.3 Ų | 149.3 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | 53.4 | 143.2 | 136.5 | -60.1 | -172.9 | 179.1 | -178.2 | 0 | 120.5 | ||||
| 750 | T | 30.8 | Very low | 29.4 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | cis | -162.3 | 145.4 | -1.3 | 10.5 | 0 | 0 | 0 | 0 | 107 | ||||
| 751 | N | 28.6 | Very low | 29.3 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | -167.3 | 173.4 | 77.2 | -110.1 | -7.3 | 0 | 0 | 0 | 112 | |||||
| 752 | E | 30.5 | Very low | 29.3 | Very low | 171 Ų | 171 | 143.4 Ų | 143.4 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -77.1 | 170.2 | -179.2 | -51.9 | 178.3 | 145.8 | 0 | 0 | 112.4 | ||||
| 753 | Q | 32.2 | Very low | 29.4 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | cis | -155.5 | 152 | 33.8 | -62.4 | 177.8 | -29.2 | 0 | 0 | 114.6 | ||||
| 754 | I | 32.1 | Very low | 29.2 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | 69 | 155.5 | 145.4 | -78.7 | 169 | 0 | 0 | 0 | 116.2 | ||||
| 755 | V | 30.8 | Very low | 29 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -111.3 | -132.5 | 4.8 | -155.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 756 | K | 33.2 | Very low | 28.7 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | trans | -152.3 | 154.2 | 169.8 | -65.6 | -176.4 | -180 | 177.5 | 0 | 109.2 | ||||
| 757 | N | 28.9 | Very low | 28.5 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 37.9 | 144.7 | 133.6 | -61.8 | 37.5 | 0 | 0 | 0 | 121.2 | ||||
| 758 | T | 30.2 | Very low | 28.9 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | cis | -164.7 | 161.8 | 2.2 | 10.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 759 | E | 27.7 | Very low | 28.8 | Very low | 169 Ų | 169 | 140.8 Ų | 140.8 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 68.9 | 121 | 143.8 | -74 | 164.5 | 179.3 | 0 | 0 | 123.6 | ||||
| 760 | S | 26.3 | Very low | 28.5 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | trans | 87.8 | 133.8 | 136.1 | 70.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 761 | S | 26.2 | Very low | 28.9 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | 74 | 122 | 157.4 | -58.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 762 | D | 25.5 | Very low | 28.9 | Very low | 147 Ų | 147 | 138.6 Ų | 138.6 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | 80.5 | 128.8 | 140.8 | -69 | -23.1 | 0 | 0 | 0 | 124.2 | ||||
| 763 | Q | 29.5 | Very low | 28.9 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | 84.5 | 107.3 | 147.4 | -71.6 | -179 | 17.7 | 0 | 0 | 123 | ||||
| 764 | I | 25.4 | Very low | 28.8 | Very low | 137 Ų | 137 | 135 Ų | 135 | 70% | 0.703 | 74% | 0.735 | S | S | * | * | 91.3 | 117.9 | 122.1 | -68.7 | 170.3 | 0 | 0 | 0 | 119.9 | |||||
| 765 | C | 23.5 | Very low | 28.7 | Very low | 116 Ų | 116 | 139 Ų | 139 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | 65.7 | 152.4 | 154.8 | -75.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 766 | S | 24.5 | Very low | 28.6 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | cis | -170.6 | -149.7 | -21.1 | 59.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 767 | V | 25 | Very low | 29.2 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 62% | 0.624 | 74% | 0.736 | S | S | * | * | trans | 75.2 | 133.2 | 175.1 | -160.1 | 0 | 0 | 0 | 0 | 112.6 | Y769 | V767-Y769 HydrophobicContact CG1-CD2 3.58Å; V767-Y769 HydrophobicContact CG1-CE2 3.75Å; V767-Y769 HydrophobicContact CG1-CG 4.32Å | ||
| 768 | I | 33.4 | Very low | 29.1 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 82% | 0.821 | 73% | 0.734 | S | S | * | * | -171.9 | 139.5 | 78.7 | -74.8 | 164.3 | 0 | 0 | 0 | 106.2 | |||||
| 769 | Y | 28 | Very low | 29.2 | Very low | 168 Ų | 168 | 137.1 Ų | 137.1 | 66% | 0.659 | 74% | 0.736 | S | S | * | * | cis | -172.3 | 155 | -16.2 | -131.2 | -67.1 | 0 | 0 | 0 | 108.7 | V767 | V767-Y769 HydrophobicContact CG1-CD2 3.58Å; V767-Y769 HydrophobicContact CG1-CE2 3.75Å; V767-Y769 HydrophobicContact CG1-CG 4.32Å | ||
| 770 | H | 27.1 | Very low | 29.4 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | trans | 65 | 164.9 | 160.9 | -65.7 | -58.1 | 0 | 0 | 0 | 119.4 | ||||
| 771 | P | 38.2 | Very low | 29.8 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 76% | 0.76 | 73% | 0.728 | S | S | * | * | cis | -120.1 | 177.8 | -7.2 | 33.5 | -15.1 | 0 | 0 | 0 | 115.3 | ||||
| 772 | N | 28 | Very low | 29.9 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 68% | 0.684 | 72% | 0.723 | S | S | * | * | trans | -88.3 | -158.4 | 177 | -53.3 | -19.9 | 0 | 0 | 0 | 110.7 | ||||
| 773 | E | 31.3 | Very low | 30.3 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | cis | -172.6 | 157.4 | 16.8 | -139.7 | 146.6 | -104.8 | 0 | 0 | 107.4 | ||||
| 774 | S | 30.6 | Very low | 30.4 | Very low | 89 Ų | 89 | 135.4 Ų | 135.4 | 62% | 0.622 | 72% | 0.718 | S | S | * | * | cis | -169.3 | 176.8 | -29.3 | 62.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 775 | Y | 30.1 | Very low | 30.6 | Very low | 233 Ų | 233 | 134.9 Ų | 134.9 | 91% | 0.914 | 72% | 0.716 | S | S | * | * | 175.6 | 148.8 | 127.6 | -109.2 | -81.6 | 0 | 0 | 0 | 112.7 | |||||
| 776 | E | 27.1 | Very low | 31.1 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 79% | 0.785 | 71% | 0.705 | S | S | * | * | trans | -133.1 | 171.1 | -167.3 | -144.6 | -169.8 | -146.7 | 0 | 0 | 111.3 | ||||
| 777 | P | 46.2 | Very low | 31.5 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | -144.6 | -170.4 | 81.8 | 44.3 | -26.6 | 0 | 0 | 0 | 112.8 | |||||
| 778 | D | 27.4 | Very low | 31.7 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 70% | 0.695 | 71% | 0.71 | S | S | * | * | cis | -159.2 | 149.9 | 14.2 | -149.9 | 19.1 | 0 | 0 | 0 | 113.8 | ||||
| 779 | V | 31.1 | Very low | 32.1 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 70% | 0.697 | 71% | 0.705 | S | S | * | * | trans | 31.1 | 120.6 | 138.1 | 170.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 780 | I | 33.2 | Very low | 32.1 | Very low | 141 Ų | 141 | 134.7 Ų | 134.7 | 72% | 0.723 | 71% | 0.707 | S | S | * | * | -159.5 | 123.4 | 73.8 | -75.6 | -176.6 | 0 | 0 | 0 | 113.6 | |||||
| 781 | T | 33.8 | Very low | 32.4 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | trans | 30.4 | 154.6 | 140.8 | 77.5 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 782 | N | 30 | Very low | 31.9 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | cis | -168.5 | 153.2 | -10.5 | -106.3 | 21.7 | 0 | 0 | 0 | 113.2 | ||||
| 783 | E | 33.2 | Very low | 32 | Very low | 153 Ų | 153 | 138.9 Ų | 138.9 | 72% | 0.715 | 72% | 0.718 | S | S | * | * | trans | 57.2 | 122.3 | 135.1 | -61.4 | 169 | 150 | 0 | 0 | 125.7 | ||||
| 784 | N | 31.3 | Very low | 31.9 | Very low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | 65.1 | 161.1 | 130.7 | -69.3 | 50.7 | 0 | 0 | 0 | 121.3 | ||||
| 785 | D | 30.6 | Very low | 31.9 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 67% | 0.674 | 73% | 0.725 | S | S | * | * | cis | -156.3 | -168.7 | -3.6 | -124.2 | -30.5 | 0 | 0 | 0 | 108.7 | ||||
| 786 | D | 32.7 | Very low | 31.6 | Very low | 104 Ų | 104 | 134.4 Ų | 134.4 | 56% | 0.556 | 72% | 0.716 | S | S | * | * | cis | -155.8 | 164 | 9.9 | -150.1 | -0.3 | 0 | 0 | 0 | 115.9 | ||||
| 787 | K | 32.9 | Very low | 31.7 | Very low | 144 Ų | 144 | 133.1 Ų | 133.1 | 63% | 0.626 | 72% | 0.719 | S | S | * | * | trans | 19.6 | 123.1 | 148.4 | -81.4 | 170.5 | -147.8 | 72.9 | 0 | 125.6 | ||||
| 788 | I | 30.5 | Very low | 30.7 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 77% | 0.774 | 73% | 0.726 | S | S | * | * | 78.3 | 145.3 | 117.4 | -69.2 | 178 | 0 | 0 | 0 | 121.7 | |||||
| 789 | P | 40.8 | Very low | 31.1 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | trans | -119.2 | -177.1 | -171.3 | 44.6 | -32.6 | 0 | 0 | 0 | 115.3 | ||||
| 790 | D | 27.9 | Very low | 30.8 | Very low | 131 Ų | 131 | 137.1 Ų | 137.1 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | -173.5 | 164.9 | 124.3 | -132.3 | -16.5 | 0 | 0 | 0 | 118.1 | |||||
| 791 | Q | 33.8 | Very low | 30.4 | Very low | 153 Ų | 153 | 136.3 Ų | 136.3 | 72% | 0.715 | 73% | 0.727 | S | S | * | * | trans | 48.4 | 118.3 | 152.7 | -70.5 | 164.9 | 62.2 | 0 | 0 | 121.5 | ||||
| 792 | K | 26.9 | Very low | 29.9 | Very low | 200 Ų | 200 | 135.9 Ų | 135.9 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | 71.8 | 125.8 | 71.1 | -86 | -174.3 | 173.8 | 174.5 | 0 | 117.1 | |||||
| 793 | V | 30.9 | Very low | 29.9 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | 166.6 | 113.7 | 125.8 | 155.9 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 794 | H | 29.8 | Very low | 29.7 | Very low | 167 Ų | 167 | 138.4 Ų | 138.4 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 60.2 | 123.1 | 142 | -86 | -81.1 | 0 | 0 | 0 | 128.2 | ||||
| 795 | T | 29.5 | Very low | 29.9 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | trans | 87.1 | 146.1 | 132.9 | -43.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 796 | S | 24.4 | Very low | 29.9 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -95.2 | 155.6 | -171.8 | 56.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 797 | V | 28.9 | Very low | 29.9 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | trans | -176.3 | 145 | 130.5 | 139.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 798 | Y | 25.6 | Very low | 30 | Very low | 217 Ų | 217 | 135.8 Ų | 135.8 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -77.3 | 170.5 | 171.8 | -73.1 | -84.4 | 0 | 0 | 0 | 111.4 | ||||
| 799 | P | 35.2 | Very low | 30 | Very low | 101 Ų | 101 | 133 Ų | 133 | 66% | 0.656 | 76% | 0.762 | S | S | * | * | cis | -141 | 176 | 12.6 | 39.4 | -18.7 | 0 | 0 | 0 | 117.6 | ||||
| 800 | T | 24.7 | Very low | 29.6 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 72% | 0.724 | 77% | 0.77 | S | S | * | * | trans | 60.8 | 141.4 | 145.9 | 45.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 801 | T | 25.2 | Very low | 29.6 | Very low | 125 Ų | 125 | 134.9 Ų | 134.9 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | 77.5 | 120 | 148 | 41.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 802 | S | 24.2 | Very low | 29.9 | Very low | 103 Ų | 103 | 133.1 Ų | 133.1 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 58.8 | 123 | 144.4 | 62.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 803 | L | 29.8 | Very low | 29.9 | Very low | 169 Ų | 169 | 129 Ų | 129 | 89% | 0.885 | 77% | 0.771 | S | S | * | * | -173 | 155.6 | 103 | -96.8 | 162.9 | 0 | 0 | 0 | 113.4 | |||||
| 804 | L | 27.4 | Very low | 29.8 | Very low | 157 Ų | 157 | 127.7 Ų | 127.7 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | -81.6 | 173.2 | 166.5 | -86.3 | 111.4 | 0 | 0 | 0 | 110.4 | ||||
| 805 | P | 35.7 | Very low | 29.8 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -136.9 | -167.5 | 28.8 | 37.4 | -12.5 | 0 | 0 | 0 | 114 | ||||
| 806 | S | 32.3 | Very low | 29.7 | Very low | 107 Ų | 107 | 124.2 Ų | 124.2 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | cis | -151.4 | 163.8 | 18.2 | -40.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 807 | S | 31.3 | Very low | 29.8 | Very low | 115 Ų | 115 | 124.1 Ų | 124.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -56.2 | 170.4 | 175.2 | -38.8 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 808 | P | 35.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 122.7 Ų | 122.7 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | cis | -137.4 | -164.7 | 15.4 | 46.5 | -27.4 | 0 | 0 | 0 | 113.9 | ||||
| 809 | S | 30.8 | Very low | 29.8 | Very low | 92 Ų | 92 | 119.6 Ų | 119.6 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | cis | -162.2 | 140.2 | -1.6 | 13.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 810 | I | 31.3 | Very low | 29.5 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | 70.8 | 155.1 | 143.6 | -58.7 | 172.2 | 0 | 0 | 0 | 118.1 | ||||
| 811 | S | 28.3 | Very low | 29.8 | Very low | 109 Ų | 109 | 124.8 Ų | 124.8 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -146.8 | 174.1 | -148.3 | 48.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 812 | P | 40 | Very low | 30.2 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | -121.3 | -165.4 | -154.2 | 45.2 | -35.5 | 0 | 0 | 0 | 117.6 | ||||
| 813 | S | 27.2 | Very low | 30.5 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | 77 | 164.6 | 175.4 | 91.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 814 | S | 29.3 | Very low | 30.5 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | cis | -172.8 | 167.1 | -9.8 | 37.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 815 | S | 28.2 | Very low | 30.5 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | cis | -172.2 | -174.6 | -23.4 | 62.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 816 | S | 28.4 | Very low | 30.4 | Very low | 103 Ų | 103 | 125 Ų | 125 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | trans | 92.4 | 115.9 | 155 | -152.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 817 | S | 27.3 | Very low | 30.2 | Very low | 100 Ų | 100 | 127.8 Ų | 127.8 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | 60.6 | 115.7 | 128.6 | -46.7 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 818 | S | 27.1 | Very low | 30.5 | Very low | 111 Ų | 111 | 127.5 Ų | 127.5 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | 93.6 | 144.7 | 127.5 | -62.2 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 819 | L | 26.6 | Very low | 30 | Very low | 152 Ų | 152 | 128.1 Ų | 128.1 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | trans | 98.4 | 124.3 | 154.9 | -57.5 | -169.6 | 0 | 0 | 0 | 121.9 | ||||
| 820 | E | 29.7 | Very low | 30 | Very low | 177 Ų | 177 | 131 Ų | 131 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | 63.8 | 179.5 | 141.4 | -63.3 | -164 | 136.7 | 0 | 0 | 121.8 | ||||
| 821 | L | 29.8 | Very low | 30 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | -86 | 127.9 | -153 | -86.2 | 63.2 | 0 | 0 | 0 | 114.2 | ||||
| 822 | I | 33.7 | Very low | 30.1 | Very low | 164 Ų | 164 | 131.7 Ų | 131.7 | 84% | 0.841 | 76% | 0.755 | S | S | * | * | trans | 44 | 108.6 | 130.9 | -48 | 171.9 | 0 | 0 | 0 | 117.3 | ||||
| 823 | G | 31 | Very low | 29.7 | Very low | 63 Ų | 63 | 134.4 Ų | 134.4 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | 142.9 | 83.1 | 127.3 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 824 | I | 29.6 | Very low | 29.5 | Very low | 159 Ų | 159 | 136.6 Ų | 136.6 | 82% | 0.815 | 76% | 0.757 | S | S | * | * | trans | 78.6 | 150.4 | 138.8 | -60.7 | 168.1 | 0 | 0 | 0 | 118.7 | ||||
| 825 | D | 27.8 | Very low | 29.4 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | 61.2 | 114.6 | -178.7 | -61.9 | -18.7 | 0 | 0 | 0 | 116.7 | ||||
| 826 | I | 32.2 | Very low | 29.3 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | cis | 87.9 | 85.3 | 31.2 | -51.1 | 172.2 | 0 | 0 | 0 | 114.8 | ||||
| 827 | Q | 28 | Very low | 29.2 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | 49.6 | 175 | 131.5 | -96.6 | -163.5 | -40.9 | 0 | 0 | 121.7 | ||||
| 828 | P | 37.9 | Very low | 29.2 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | cis | -127.7 | -165.1 | -6.5 | 31.4 | -8 | 0 | 0 | 0 | 114.8 | ||||
| 829 | D | 26.3 | Very low | 29.2 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 69% | 0.69 | 76% | 0.755 | S | S | * | * | trans | -66.9 | -178.4 | 175 | -40.5 | -91.7 | 0 | 0 | 0 | 113.1 | ||||
| 830 | D | 29.8 | Very low | 29.2 | Very low | 154 Ų | 154 | 140.3 Ų | 140.3 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | cis | -164.9 | -164.4 | 20.8 | -153 | -28.3 | 0 | 0 | 0 | 111.5 | ||||
| 831 | E | 31.8 | Very low | 29.2 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | 97.8 | 98.2 | 158.3 | -67.4 | -155.9 | -159.3 | 0 | 0 | 122.9 | ||||
| 832 | H | 31.1 | Very low | 29.1 | Very low | 141 Ų | 141 | 140 Ų | 140 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | 81.1 | 133.5 | 117.2 | -71.1 | -24.7 | 0 | 0 | 0 | 126.3 | |||||
| 833 | K | 31.2 | Very low | 28.9 | Very low | 173 Ų | 173 | 137 Ų | 137 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | 86.3 | 102.3 | 140.4 | -76.7 | 167.1 | -177.6 | 160.2 | 0 | 123.4 | ||||
| 834 | L | 23.4 | Very low | 29.5 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | 72.5 | 146.2 | 125.8 | -66 | 172.5 | 0 | 0 | 0 | 122.8 | |||||
| 835 | S | 26.6 | Very low | 29.6 | Very low | 109 Ų | 109 | 138.7 Ų | 138.7 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | trans | 83.9 | 145.1 | 163.3 | 79.1 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 836 | L | 26.8 | Very low | 29.7 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 76% | 0.764 | 74% | 0.739 | S | S | * | * | cis | -165.9 | 141.6 | -18.5 | -109.7 | 173.3 | 0 | 0 | 0 | 109.9 | ||||
| 837 | L | 24.6 | Very low | 29.7 | Very low | 151 Ų | 151 | 140.3 Ų | 140.3 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | 65.1 | 143.8 | 160.5 | -52.6 | 166.1 | 0 | 0 | 0 | 117.4 | ||||
| 838 | S | 27.5 | Very low | 29.8 | Very low | 102 Ų | 102 | 140.8 Ų | 140.8 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | cis | -157.8 | 153 | 31.5 | -54.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 839 | S | 28.3 | Very low | 29.4 | Very low | 94 Ų | 94 | 144.4 Ų | 144.4 | 66% | 0.657 | 75% | 0.75 | S | S | * | * | trans | 50.7 | 98.1 | 142.6 | 64.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 840 | E | 27 | Very low | 29.7 | Very low | 162 Ų | 162 | 146 Ų | 146 | 76% | 0.757 | 75% | 0.753 | S | S | * | * | 57.2 | 152.9 | 104.9 | -67.5 | 163.9 | 111.5 | 0 | 0 | 125.5 | |||||
| 841 | F | 29.3 | Very low | 29.6 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 77% | 0.768 | 75% | 0.751 | S | S | * | * | trans | 75 | 135 | 167.9 | -63.8 | -72.2 | 0 | 0 | 0 | 118.4 | ||||
| 842 | D | 27 | Very low | 29.7 | Very low | 145 Ų | 145 | 143.9 Ų | 143.9 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | cis | -152 | 178.3 | -4.9 | -147.6 | -15.5 | 0 | 0 | 0 | 113.1 | ||||
| 843 | S | 30.1 | Very low | 29.7 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | -101.2 | -173.1 | -166.6 | -101.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 844 | P | 43.4 | Very low | 29.8 | Very low | 90 Ų | 90 | 139.4 Ų | 139.4 | 58% | 0.584 | 76% | 0.759 | S | S | * | * | cis | -139.5 | -166.1 | -31.3 | 37.4 | -17.7 | 0 | 0 | 0 | 114.6 | ||||
| 845 | E | 31.5 | Very low | 30.3 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | trans | 72.1 | 138.8 | 151.3 | -77.2 | 146.2 | -134.8 | 0 | 0 | 119.5 | ||||
| 846 | D | 30.4 | Very low | 30.5 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | cis | -153 | 170.5 | 4.3 | -143 | -17.5 | 0 | 0 | 0 | 115.2 | ||||
| 847 | E | 31.4 | Very low | 30.8 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | 64 | 132.5 | 167.5 | -63.2 | -160.1 | 144.3 | 0 | 0 | 122.9 | ||||
| 848 | Q | 30.6 | Very low | 31 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | trans | -105.6 | 147.1 | 167 | -58.6 | 170.2 | -10.9 | 0 | 0 | 108.1 | ||||
| 849 | K | 29.1 | Very low | 31.1 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | 79.5 | 143.1 | 31.1 | -157.9 | 179.3 | -175.8 | -179.8 | 0 | 114.7 | ||||
| 850 | Q | 31.9 | Very low | 31.1 | Very low | 162 Ų | 162 | 139 Ų | 139 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | 94.1 | 150.4 | 167.9 | -57.4 | -172.2 | 27.7 | 0 | 0 | 118 | ||||
| 851 | N | 27.9 | Very low | 31.1 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 78% | 0.783 | S | S | * | * | cis | -167.8 | 173.2 | -42 | -121.7 | 38.8 | 0 | 0 | 0 | 110.2 | ||||
| 852 | S | 35 | Very low | 31.2 | Very low | 117 Ų | 117 | 131.7 Ų | 131.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -106 | 161 | 173.6 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 853 | G | 31.4 | Very low | 31.3 | Very low | 60 Ų | 60 | 131.4 Ų | 131.4 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | trans | -169.9 | 133 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 854 | D | 31.9 | Very low | 31.1 | Very low | 160 Ų | 160 | 134 Ų | 134 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | 80.8 | 132.4 | 78.2 | -78 | -5.9 | 0 | 0 | 0 | 111.8 | |||||
| 855 | V | 34.2 | Very low | 30.4 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 87% | 0.873 | 79% | 0.79 | S | S | * | * | cis | -147.8 | 178.6 | 12.3 | -103.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 856 | D | 30.7 | Very low | 30.3 | Very low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -84.5 | 150.2 | -174.6 | -178.7 | 30.3 | 0 | 0 | 0 | 116.3 | ||||
| 857 | S | 34.1 | Very low | 30.3 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | 177.1 | 135.3 | 148.7 | 37.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 858 | G | 29.5 | Very low | 30.2 | Very low | 66 Ų | 66 | 130.6 Ų | 130.6 | 68% | 0.68 | 78% | 0.778 | S | S | * | * | trans | -117.4 | -172.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 859 | L | 29 | Very low | 30 | Very low | 186 Ų | 186 | 129.7 Ų | 129.7 | 97% | 0.974 | 77% | 0.774 | S | S | * | * | trans | 69.2 | 129 | 170.4 | -46.4 | 176.9 | 0 | 0 | 0 | 116.5 | ||||
| 860 | G | 27.6 | Very low | 30.1 | Very low | 84 Ų | 84 | 128 Ų | 128 | 87% | 0.866 | 77% | 0.768 | S | S | * | * | cis | 150.7 | 150 | -7.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 861 | G | 26.6 | Very low | 30 | Very low | 71 Ų | 71 | 126.3 Ų | 126.3 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | 145.1 | 154.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 862 | S | 32.2 | Very low | 29.7 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 79% | 0.79 | 77% | 0.765 | S | S | * | * | trans | 52.8 | 140.7 | 173.7 | 47.3 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 863 | D | 28.8 | Very low | 29.6 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | cis | -151.3 | 161.1 | -9.1 | -112.8 | -31.5 | 0 | 0 | 0 | 115.1 | ||||
| 864 | H | 27.1 | Very low | 29.2 | Very low | 158 Ų | 158 | 133 Ų | 133 | 73% | 0.731 | 77% | 0.766 | S | S | * | * | trans | -39 | 164.7 | 159.3 | -64.4 | -69.9 | 0 | 0 | 0 | 115.8 | ||||
| 865 | T | 27.9 | Very low | 29.1 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | cis | -169.2 | 172.1 | 16.2 | -4.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 866 | V | 29 | Very low | 28.6 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | 70 | 129.4 | 146.9 | 150.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 867 | K | 29.7 | Very low | 28.4 | Very low | 177 Ų | 177 | 137.4 Ų | 137.4 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | cis | -151.3 | 170.5 | 2.7 | -107.4 | 169.1 | 179.6 | -175.9 | 0 | 108.1 | ||||
| 868 | S | 29.3 | Very low | 27.9 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | 172.9 | 174.9 | -33.3 | -85.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 869 | E | 28 | Very low | 27.7 | Very low | 158 Ų | 158 | 139.5 Ų | 139.5 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | 66.8 | -179.8 | 169.8 | -49.7 | -178.3 | 43.2 | 0 | 0 | 113.2 | ||||
| 870 | H | 31.3 | Very low | 27.5 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | cis | -146.2 | 126.9 | 1 | -161 | 89.5 | 0 | 0 | 0 | 108.7 | ||||
| 871 | Q | 28 | Very low | 27.3 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 60% | 0.598 | 74% | 0.744 | S | S | * | * | cis | -160.6 | 151.1 | -5.1 | -170.5 | -150.1 | 125.4 | 0 | 0 | 109.4 | ||||
| 872 | Q | 22.9 | Very low | 27.4 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | -143.8 | 124.1 | 158.2 | -168.5 | -175.6 | 70.7 | 0 | 0 | 108.3 | ||||
| 873 | P | 31.7 | Very low | 27 | Very low | 96 Ų | 96 | 145.5 Ų | 145.5 | 62% | 0.623 | 75% | 0.751 | S | S | * | * | trans | -101.2 | 139.2 | -172.5 | 35 | -32.5 | 0 | 0 | 0 | 114.8 | ||||
| 874 | Q | 24.3 | Very low | 26.8 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -128.8 | 131 | 166.1 | -91.6 | -86.4 | 4 | 0 | 0 | 108 | ||||
| 875 | I | 28.4 | Very low | 26.8 | Very low | 159 Ų | 159 | 145 Ų | 145 | 82% | 0.815 | 75% | 0.754 | S | S | * | * | trans | -143.9 | 127.7 | 168.2 | -57.1 | -178.4 | 0 | 0 | 0 | 110.3 | ||||
| 876 | K | 25.1 | Very low | 26.7 | Very low | 191 Ų | 191 | 145.7 Ų | 145.7 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | trans | -151.1 | 154.4 | 159.6 | -90 | -168.1 | 176 | -179.3 | 0 | 109.7 | ||||
| 877 | K | 25.2 | Very low | 26.6 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | trans | 73.9 | 144.2 | 179.8 | -49.5 | 174.1 | -178 | -179.1 | 0 | 113.9 | ||||
| 878 | S | 24.5 | Very low | 26.5 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | cis | -162 | -175.2 | -24.1 | -72 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 879 | T | 25.4 | Very low | 26.5 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | -161.3 | 169.9 | 8.7 | -25.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 880 | S | 24 | Very low | 26.9 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | 81 | 117.2 | 144.2 | -64.4 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 881 | I | 23.5 | Very low | 26.7 | Very low | 151 Ų | 151 | 147.7 Ų | 147.7 | 77% | 0.774 | 78% | 0.776 | S | S | * | * | 66.5 | 108.3 | 129.9 | -53.8 | 166.6 | 0 | 0 | 0 | 119.7 | |||||
| 882 | L | 28.5 | Very low | 26.4 | Very low | 169 Ų | 169 | 147 Ų | 147 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | -158.4 | 156.1 | 115.7 | -112.5 | 173.1 | 0 | 0 | 0 | 111.2 | |||||
| 883 | Q | 24.5 | Very low | 26.7 | Very low | 166 Ų | 166 | 144.2 Ų | 144.2 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | -118.2 | 145.3 | -177.2 | -63.6 | 171.3 | -84.7 | 0 | 0 | 112.2 | ||||
| 884 | M | 25.6 | Very low | 26.2 | Very low | 185 Ų | 185 | 145.2 Ų | 145.2 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | -168.3 | 110.6 | 145.7 | -104.6 | 179.5 | 179.5 | 0 | 0 | 106.7 | ||||
| 885 | T | 25.5 | Very low | 26.5 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 61% | 0.613 | 78% | 0.783 | S | S | * | * | cis | 73 | 88.6 | 47.5 | 73.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 886 | T | 27.1 | Very low | 26.2 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | trans | -161.8 | 104.4 | 145.3 | -70.1 | 0 | 0 | 0 | 0 | 105 | ||||
| 887 | I | 25.5 | Very low | 26.1 | Very low | 142 Ų | 142 | 140.6 Ų | 140.6 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | 87.3 | 141.5 | 58.5 | -64.5 | 164.9 | 0 | 0 | 0 | 111.8 | |||||
| 888 | M | 29.2 | Very low | 26.4 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 80% | 0.803 | 78% | 0.775 | S | S | * | * | trans | 80.3 | 133.6 | -176.3 | -51 | -155 | 76.2 | 0 | 0 | 116.3 | ||||
| 889 | T | 29.1 | Very low | 26.4 | Very low | 116 Ų | 116 | 140 Ų | 140 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | cis | -175.9 | 144.7 | -34.4 | 14.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 890 | P | 35.7 | Very low | 26.5 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -86.6 | 151 | 168.7 | 35.6 | -32.6 | 0 | 0 | 0 | 111.5 | ||||
| 891 | E | 26.1 | Very low | 26.4 | Very low | 197 Ų | 197 | 140.7 Ų | 140.7 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -164.9 | 174 | 141.7 | -121 | 171.7 | -140.3 | 0 | 0 | 114.2 | ||||
| 892 | T | 23.7 | Very low | 26.6 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | trans | -92.5 | 158.8 | -158.4 | 57.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 893 | T | 27.3 | Very low | 26.5 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -173.6 | 95.1 | 144.6 | 14.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 894 | T | 22.9 | Very low | 26.4 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | 52 | 92.2 | 89.8 | 62.8 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 895 | I | 28.7 | Very low | 26.6 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 86% | 0.862 | 77% | 0.774 | S | S | * | * | trans | -133.1 | 127.6 | 137.4 | -56.2 | -178.3 | 0 | 0 | 0 | 107.6 | ||||
| 896 | N | 23.1 | Very low | 26.6 | Very low | 150 Ų | 150 | 136.5 Ų | 136.5 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -125.4 | 165 | 173.2 | -125.5 | -14.9 | 0 | 0 | 0 | 108.5 | ||||
| 897 | T | 23.9 | Very low | 26.6 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | 74.2 | 112.9 | 165 | -41.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 898 | T | 29.7 | Very low | 26.6 | Very low | 139 Ų | 139 | 137.1 Ų | 137.1 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | -165.1 | 149.2 | 109.5 | 15.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 899 | N | 24.5 | Very low | 26.6 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -78.2 | 152.5 | -172.5 | -48.5 | -38.5 | 0 | 0 | 0 | 112.5 | ||||
| 900 | A | 29.2 | Very low | 26.6 | Very low | 106 Ų | 106 | 135.6 Ų | 135.6 | 88% | 0.876 | 78% | 0.779 | S | S | * | * | trans | -150.4 | 56.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 901 | T | 21.2 | Very low | 26.4 | Very low | 126 Ų | 126 | 136 Ų | 136 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -125.1 | 127.9 | 156.6 | 46.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 902 | I | 27 | Very low | 26.6 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 168.3 | 119.6 | 146 | -90.6 | 159 | 0 | 0 | 0 | 112.9 | ||||
| 903 | H | 27.1 | Very low | 26.8 | Very low | 160 Ų | 160 | 132 Ų | 132 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 67.1 | 102.8 | 142.4 | -70 | -125.2 | 0 | 0 | 0 | 124.5 | ||||
| 904 | T | 23.2 | Very low | 26.7 | Very low | 109 Ų | 109 | 132.6 Ų | 132.6 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | 37.6 | 125 | 117.9 | 36.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 905 | T | 28.2 | Very low | 26.9 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | -165.8 | 107.3 | 126.4 | 11.5 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 906 | I | 26 | Very low | 26.7 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 65% | 0.651 | 78% | 0.783 | S | S | * | * | 73.5 | 101.5 | 86.1 | -64.7 | 172.6 | 0 | 0 | 0 | 115.2 | I908 | I906-I908 HydrophobicContact CG2-CD1 3.54Å; I906-I908 HydrophobicContact CG2-CG1 3.98Å | |||
| 907 | N | 26.9 | Very low | 26.8 | Very low | 154 Ų | 154 | 129.2 Ų | 129.2 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -170.9 | 100.3 | 141.8 | -111.2 | -11.2 | 0 | 0 | 0 | 106.1 | ||||
| 908 | I | 25.4 | Very low | 26.6 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | 62.8 | 95.5 | 65.1 | -51.4 | 175.4 | 0 | 0 | 0 | 113.2 | I906 | I906-I908 HydrophobicContact CG2-CD1 3.54Å; I906-I908 HydrophobicContact CG2-CG1 3.98Å | |||
| 909 | T | 30.7 | Very low | 26.5 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -157.1 | 130.1 | 130.5 | 23.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 910 | S | 28.5 | Very low | 26.5 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | 66.9 | 99.6 | 157.7 | -50.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 911 | P | 31.2 | Very low | 26.1 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | trans | -134.3 | 141.3 | 135.4 | 37.3 | -26.8 | 0 | 0 | 0 | 114.3 | ||||
| 912 | S | 29.3 | Very low | 26.3 | Very low | 126 Ų | 126 | 135 Ų | 135 | 88% | 0.881 | 79% | 0.787 | S | S | * | * | trans | -171 | 155.3 | 163.3 | -84.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 913 | A | 29.7 | Very low | 26.1 | Very low | 98 Ų | 98 | 135.7 Ų | 135.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | cis | -128.2 | 165.2 | 18.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 914 | I | 24.6 | Very low | 26.2 | Very low | 144 Ų | 144 | 134.4 Ų | 134.4 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | trans | -102.3 | 146.4 | 176.3 | -63.9 | 159.8 | 0 | 0 | 0 | 108.9 | T916 | I914-T916 HydrophobicContact CG2-CG2 4.29Š| ||
| 915 | T | 26.7 | Very low | 26.1 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -150 | 127.8 | 140.9 | -71.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 916 | T | 25.2 | Very low | 25.9 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | -92.5 | 152.3 | -180 | 44.3 | 0 | 0 | 0 | 0 | 111.7 | I914 | I914-T916 HydrophobicContact CG2-CG2 4.29Š| ||
| 917 | A | 24.3 | Very low | 25.8 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | trans | -145.4 | 104 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 918 | I | 20.8 | Very low | 25.6 | Very low | 159 Ų | 159 | 141.4 Ų | 141.4 | 82% | 0.815 | 80% | 0.8 | S | S | * | * | trans | -125.9 | 131.7 | 166.7 | -64.4 | 172.4 | 0 | 0 | 0 | 105.6 | ||||
| 919 | V | 26.2 | Very low | 25.7 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | trans | -168.6 | 131.8 | 147.5 | 130.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 920 | Q | 25.7 | Very low | 25.4 | Very low | 168 Ų | 168 | 140.9 Ų | 140.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 45.2 | 113 | 154.9 | -62.2 | 173.8 | -71.4 | 0 | 0 | 123.1 | ||||
| 921 | R | 20.1 | Very low | 25.3 | Very low | 227 Ų | 227 | 141.5 Ų | 141.5 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | 25.3 | 133.9 | 116.5 | -69.1 | -172.6 | 176.3 | -141.4 | 4.1 | 119.8 | E923 | R921-E923 IonicContact NH1-OE2 3.98Š| |||
| 922 | G | 25 | Very low | 25 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -155.4 | 113.7 | 146.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 923 | E | 23.9 | Very low | 24.9 | Very low | 169 Ų | 169 | 139.8 Ų | 139.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -98.9 | 117.7 | 174.9 | -67.8 | 171.2 | 101 | 0 | 0 | 110.2 | R921 | R921-E923 IonicContact NH1-OE2 3.98Š| ||
| 924 | V | 28.3 | Very low | 24.7 | Very low | 132 Ų | 132 | 143.7 Ų | 143.7 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -144.6 | 111.7 | 162.4 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 925 | N | 22.4 | Very low | 24.9 | Very low | 128 Ų | 128 | 142 Ų | 142 | 68% | 0.684 | 79% | 0.787 | S | S | * | * | trans | 32.1 | 117.7 | 152.9 | -66.6 | -52.3 | 0 | 0 | 0 | 122.3 | ||||
| 926 | K | 22.8 | Very low | 24.8 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 81% | 0.809 | 78% | 0.775 | S | S | * | * | 46.1 | 116.5 | 120.8 | -55.8 | 178.2 | -176.4 | -176.2 | 0 | 119.3 | |||||
| 927 | Q | 25.3 | Very low | 25 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | -148.3 | 135.4 | 121.8 | -127.2 | 166.6 | -4.6 | 0 | 0 | 111.5 | |||||
| 928 | E | 21.2 | Very low | 25.1 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -81.2 | 134.7 | 171.1 | -61.6 | 170.2 | 127.3 | 0 | 0 | 108.4 | ||||
| 929 | I | 27.3 | Very low | 25.3 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -128.9 | 125 | 169.3 | -59.6 | -178.7 | 0 | 0 | 0 | 107.8 | ||||
| 930 | S | 25.2 | Very low | 25.3 | Very low | 95 Ų | 95 | 148.2 Ų | 148.2 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -75.9 | 144.4 | 179.9 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | G932 | S930-G932 PolarHBondContact O-N 2.98Š| ||
| 931 | P | 27 | Very low | 25.5 | Very low | 129 Ų | 129 | 148.2 Ų | 148.2 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -67.7 | 120.9 | 156.6 | 30.3 | -30.9 | 0 | 0 | 0 | 108 | ||
| 932 | G | 23.9 | Very low | 25.7 | Very low | 61 Ų | 61 | 141.2 Ų | 141.2 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | 171.2 | 148.4 | -178 | 0 | 0 | 0 | 0 | 0 | 111.7 | S930 | S930-G932 PolarHBondContact O-N 2.98Š| ||
| 933 | I | 27.2 | Very low | 26 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 80% | 0.795 | 78% | 0.775 | S | S | * | * | trans | 69.8 | 88.4 | -170.6 | -46.7 | 168.9 | 0 | 0 | 0 | 112.5 | V935 | I933-V935 HydrophobicContact CG2-CG2 3.89Š| ||
| 934 | M | 26.6 | Very low | 25.8 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 143.2 | 142.3 | -81.9 | -69.8 | -75.4 | 0 | 0 | 108.2 | ||
| 935 | V | 27.3 | Very low | 25.8 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 66% | 0.655 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -103 | 122.3 | -174.9 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | I933 V937 | I933-V935 HydrophobicContact CG2-CG2 3.89Å; V935-V937 HydrophobicContact CG1-CG2 4.09Å |
| 936 | Y | 25.3 | Very low | 25.9 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 64% | 0.635 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 135.9 | 162.4 | -72.1 | -84.6 | 0 | 0 | 0 | 109.8 | N1171 | Y936-N1171 WeakPolarHBondContact OH-CB 2.96Å; Y936-N1171 PolarHBondContact OH-ND2 3.28Å |
| 937 | V | 29.3 | Very low | 26 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | trans | -126.5 | 103.8 | 168.5 | -179 | 0 | 0 | 0 | 0 | 106.7 | V935 E939 | V935-V937 HydrophobicContact CG1-CG2 4.09Å; V937-E939 PolarHBondContact O-N 3.39Å | ||
| 938 | D | 26.6 | Very low | 26 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -70.7 | 123.5 | 171.7 | -66.2 | -45.1 | 0 | 0 | 0 | 109.5 | E940 | D938-E940 VanDerWaalsContact C-N 3.28Å; D938-E940 PolarHBondContact O-N 3.39Å | ||
| 939 | E | 25.8 | Very low | 26.3 | Very low | 196 Ų | 196 | 137.7 Ų | 137.7 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -81.9 | 64.5 | 178 | -71.2 | -155.9 | 139.2 | 0 | 0 | 112.7 | V937 | V937-E939 PolarHBondContact O-N 3.39Š| ||
| 940 | E | 25.9 | Very low | 26.2 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -127.7 | 152.1 | 160.9 | -68.6 | -151.5 | 147.1 | 0 | 0 | 112.9 | D938 | D938-E940 VanDerWaalsContact C-N 3.28Å; D938-E940 PolarHBondContact O-N 3.39Å | ||
| 941 | H | 29.6 | Very low | 26.3 | Very low | 167 Ų | 167 | 136.2 Ų | 136.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 71.5 | 69.3 | 174.5 | -53.8 | 85.7 | 0 | 0 | 0 | 117.4 | ||||
| 942 | G | 24.3 | Very low | 26.3 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -75.4 | 125.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 943 | V | 29.8 | Very low | 26.4 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | trans | -138.7 | 139.2 | 166 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 944 | N | 21.3 | Very low | 26.5 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -65.6 | 129.9 | 178.3 | -76.4 | -69.7 | 0 | 0 | 0 | 113.6 | ||||
| 945 | V | 26.8 | Very low | 26.7 | Very low | 146 Ų | 146 | 139.3 Ų | 139.3 | 89% | 0.885 | 77% | 0.768 | S | S | * | * | trans | -136.7 | 147.4 | 145.3 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 946 | S | 24.5 | Very low | 26.8 | Very low | 103 Ų | 103 | 142.4 Ų | 142.4 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -122.4 | 162.7 | -175.1 | -164.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 947 | M | 25 | Very low | 27.1 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 75.3 | 124.2 | 164.9 | -72 | -174.3 | 169 | 0 | 0 | 120.6 | ||||
| 948 | N | 25.8 | Very low | 27.1 | Very low | 133 Ų | 133 | 144.7 Ų | 144.7 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | 67 | 124.7 | 145.5 | -52.2 | -19.1 | 0 | 0 | 0 | 117.5 | ||||
| 949 | N | 28.4 | Very low | 27.1 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | cis | -152.6 | 123.9 | 45 | -117.4 | -31.2 | 0 | 0 | 0 | 115.2 | S951 | N949-S951 PolarHBondContact O-N 3.08Š| ||
| 950 | S | 24.5 | Very low | 27.1 | Very low | 106 Ų | 106 | 143 Ų | 143 | 74% | 0.741 | 77% | 0.768 | S | S | * | * | 49.3 | 54.5 | 117.7 | -48.2 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 951 | S | 27.2 | Very low | 27 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -153.6 | 44.4 | 159 | -160.3 | 0 | 0 | 0 | 0 | 116.6 | N949 | N949-S951 PolarHBondContact O-N 3.08Š| ||
| 952 | C | 26.5 | Very low | 27 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | -148.9 | 73.8 | 170 | -147 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 953 | N | 26.5 | Very low | 27.1 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 60% | 0.599 | 76% | 0.764 | S | S | * | * | trans | -139.4 | 22.7 | -172.7 | -137.8 | -72.8 | 0 | 0 | 0 | 114 | R957 | N953-R957 PolarHBondContact O-NH1 3.25Å; N953-R957 PolarHBondContact OD1-NH1 2.91Å; N953-R957 PolarHBondContact OD1-NH2 2.74Å | ||
| 954 | Y | 29.5 | Very low | 27 | Very low | 216 Ų | 216 | 148.2 Ų | 148.2 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -115.8 | -26.2 | -175 | -165.5 | -111.7 | 0 | 0 | 0 | 114.5 | ||
| 955 | I | 31.1 | Very low | 27.3 | Very low | 140 Ų | 140 | 151 Ų | 151 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -89.6 | -31.4 | -176.1 | -61.8 | 178.5 | 0 | 0 | 0 | 112.2 | R957 | I955-R957 PolarHBondContact O-N 2.9Š|
| 956 | E | 28.5 | Very low | 27.4 | Very low | 172 Ų | 172 | 149.8 Ų | 149.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | 3.5 | -176.3 | -143.4 | -163.2 | 154.3 | 0 | 0 | 115.3 | ||
| 957 | R | 31.1 | Very low | 27.6 | Very low | 180 Ų | 180 | 154.4 Ų | 154.4 | 68% | 0.679 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -4.9 | -177.6 | -74.1 | -166.8 | 178.3 | 85.8 | 7.2 | 116 | N953 I955 | N953-R957 PolarHBondContact O-NH1 3.25Å; N953-R957 PolarHBondContact OD1-NH1 2.91Å; N953-R957 PolarHBondContact OD1-NH2 2.74Å; I955-R957 PolarHBondContact O-N 2.9Å |
| 958 | Q | 30.2 | Very low | 27.8 | Very low | 148 Ų | 148 | 152.3 Ų | 152.3 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -100.8 | -27 | -176.4 | -74.2 | -68.5 | -1 | 0 | 0 | 115.4 | K960 | Q958-K960 VanDerWaalsContact C-N 3.28Å; Q958-K960 PolarHBondContact O-N 2.75Å; Q958-K960 VanDerWaalsContact O-N 3.1Å |
| 959 | V | 26.3 | Very low | 28 | Very low | 105 Ų | 105 | 151 Ų | 151 | 64% | 0.636 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | 27.4 | -168.6 | -159.6 | 0 | 0 | 0 | 0 | 113.9 | M1221 | V959-M1221 HydrophobicContact CG1-SD 4.04Š|
| 960 | K | 25.4 | Very low | 28.2 | Very low | 204 Ų | 204 | 149.2 Ų | 149.2 | 89% | 0.887 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | 26.4 | -176.7 | -86.4 | -179.1 | -179 | 157.7 | 0 | 115.8 | Q958 | Q958-K960 VanDerWaalsContact C-N 3.28Å; Q958-K960 PolarHBondContact O-N 2.75Å; Q958-K960 VanDerWaalsContact O-N 3.1Å |
| 961 | S | 25 | Very low | 28.5 | Very low | 89 Ų | 89 | 149 Ų | 149 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -120.1 | -12.1 | -173.7 | 67.3 | 0 | 0 | 0 | 0 | 118.1 | ||
| 962 | I | 29.2 | Very low | 28.9 | Very low | 153 Ų | 153 | 149.5 Ų | 149.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -127.1 | 67.2 | -174 | -42.4 | -177.4 | 0 | 0 | 0 | 113.8 | ||
| 963 | L | 26.8 | Very low | 29.2 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | trans | -171.8 | 74.6 | 135.4 | -130.2 | 70.8 | 0 | 0 | 0 | 113.3 | ||||
| 964 | R | 26.4 | Very low | 29.2 | Very low | 248 Ų | 248 | 150.7 Ų | 150.7 | 94% | 0.936 | 79% | 0.787 | S | S | * | * | trans | -144.6 | 94.3 | 165.4 | -87.1 | -164.5 | 174.6 | 169.5 | -0.8 | 114.5 | ||||
| 965 | K | 28.7 | Very low | 29.3 | Very low | 217 Ų | 217 | 144.9 Ų | 144.9 | 94% | 0.943 | 78% | 0.778 | S | S | * | * | trans | -133.4 | 143 | 138.6 | -74.7 | -179.8 | -180 | 171.8 | 0 | 106 | ||||
| 966 | S | 29.7 | Very low | 29.4 | Very low | 120 Ų | 120 | 143.5 Ų | 143.5 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | cis | -115.2 | 174.9 | 13.6 | 50.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 967 | K | 28.3 | Very low | 29.4 | Very low | 200 Ų | 200 | 141 Ų | 141 | 87% | 0.87 | 76% | 0.755 | S | S | * | * | trans | -74.2 | 156.4 | 175.3 | -73.6 | 176.7 | 178.2 | 179 | 0 | 109.9 | ||||
| 968 | S | 28.9 | Very low | 29.3 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 79% | 0.79 | 74% | 0.742 | S | S | * | * | -160.6 | 172.7 | 59.7 | 56 | 0 | 0 | 0 | 0 | 117 | |||||
| 969 | S | 29.3 | Very low | 29.3 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -36.1 | 156.4 | 172.9 | 34.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 970 | S | 32.8 | Very low | 29.4 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 71% | 0.713 | 75% | 0.745 | S | S | * | * | cis | -168.1 | 154.8 | 2 | 38.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 971 | S | 30.4 | Very low | 29.7 | Very low | 103 Ų | 103 | 129.9 Ų | 129.9 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | 52.2 | 122.8 | 150.6 | 57.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 972 | P | 37.1 | Very low | 30 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -87.1 | 159.9 | 169.3 | 37.3 | -34.8 | 0 | 0 | 0 | 112.7 | ||||
| 973 | P | 32.3 | Very low | 30.1 | Very low | 128 Ų | 128 | 129 Ų | 129 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | trans | -112.2 | 147 | 153.3 | 36 | -27.4 | 0 | 0 | 0 | 111.8 | ||||
| 974 | T | 26.2 | Very low | 30.5 | Very low | 132 Ų | 132 | 128.2 Ų | 128.2 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -93.5 | 153.5 | 174.9 | 33.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 975 | S | 32.1 | Very low | 30.8 | Very low | 94 Ų | 94 | 122.4 Ų | 122.4 | 66% | 0.657 | 74% | 0.735 | S | S | * | * | trans | 87.5 | 145.7 | 150.4 | 86.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 976 | K | 32.9 | Very low | 30.9 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 48% | 0.483 | 73% | 0.726 | S | S | . | * | trans | 87 | 66.3 | 153 | -57.5 | -176.4 | -178.8 | -145.4 | 0 | 121.9 | S566 T567 | S566-K976 VanDerWaalsContact CB-CD 3.48Å; S566-K976 WeakPolarHBondContact OG-CD 3.27Å; S566-K976 WeakPolarHBondContact OG-CE 3.44Å; S566-K976 PolarHBondContact OG-NZ 3.41Å; T567-K976 HydrophobicContact CG2-CG 4.32Å; T567-K976 VanDerWaalsContact OG1-CE 3.29Å; T567-K976 WeakPolarHBondContact OG1-CE 3.3Å; T567-K976 PolarHBondContact OG1-NZ 2.92Å | ||
| 977 | Q | 29.2 | Very low | 30.9 | Very low | 119 Ų | 119 | 119.7 Ų | 119.7 | 56% | 0.556 | 72% | 0.72 | S | S | * | * | 82 | 146.5 | 111.3 | -136.9 | 144.7 | -37.1 | 0 | 0 | 123.7 | P565 S566 | P565-Q977 HydrophobicContact CB-CB 3.48Å; P565-Q977 VanDerWaalsContact CB-CB 3.48Å; P565-Q977 VanDerWaalsContact CB-CD 3.48Å; P565-Q977 HydrophobicContact CB-CG 3.61Å; P565-Q977 HydrophobicContact CG-CB 3.98Å; S566-Q977 VanDerWaalsContact CA-OE1 3.31Å | |||
| 978 | S | 28.1 | Very low | 31 | Very low | 56 Ų | 56 | 116.3 Ų | 116.3 | 39% | 0.392 | 72% | 0.716 | S | S | . | * | trans | 65.7 | 101.3 | 146.7 | 49.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 979 | S | 29.4 | Very low | 31 | Very low | 97 Ų | 97 | 120.5 Ų | 120.5 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | 69.2 | 115.8 | 123 | 66.2 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 980 | S | 29.2 | Very low | 30.8 | Very low | 104 Ų | 104 | 120.7 Ų | 120.7 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | 108.6 | 112.1 | 124 | -162.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 981 | L | 31.1 | Very low | 30.5 | Very low | 146 Ų | 146 | 123.3 Ų | 123.3 | 76% | 0.764 | 73% | 0.73 | S | S | * | * | trans | 68.2 | 110.2 | 149 | -93.3 | 65.3 | 0 | 0 | 0 | 122.2 | ||||
| 982 | D | 31.4 | Very low | 30.6 | Very low | 148 Ų | 148 | 125.4 Ų | 125.4 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | 59.8 | 89.6 | 116.2 | -58.6 | 5.3 | 0 | 0 | 0 | 122.7 | |||||
| 983 | G | 30.9 | Very low | 30.2 | Very low | 75 Ų | 75 | 124.3 Ų | 124.3 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | 76.2 | 168.6 | 127.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 984 | I | 35.2 | Very low | 30.3 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | cis | -148.4 | 138 | -13.2 | -50.2 | 175.8 | 0 | 0 | 0 | 108 | ||||
| 985 | T | 34.6 | Very low | 30.7 | Very low | 127 Ų | 127 | 122.8 Ų | 122.8 | 78% | 0.779 | 73% | 0.732 | S | S | * | * | trans | 167.4 | 117.4 | 143.3 | 28.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 986 | E | 30.2 | Very low | 30.9 | Very low | 162 Ų | 162 | 121.7 Ų | 121.7 | 76% | 0.757 | 74% | 0.735 | S | S | * | * | 60.7 | 123.7 | 74.8 | -70 | -170.9 | -157.1 | 0 | 0 | 113 | |||||
| 987 | T | 28.4 | Very low | 31.4 | Very low | 117 Ų | 117 | 125 Ų | 125 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | cis | -153.4 | 149.8 | 9.4 | 17.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 988 | T | 30.4 | Very low | 32 | Very low | 129 Ų | 129 | 124.2 Ų | 124.2 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 152.4 | 65.4 | 146.2 | 44.7 | 0 | 0 | 0 | 0 | 114.5 | ||
| 989 | Q | 29.9 | Very low | 33.1 | Very low | 201 Ų | 201 | 127.4 Ų | 127.4 | 94% | 0.939 | 77% | 0.773 | S | S | * | * | trans | -172.8 | 123 | 148.4 | -107.1 | 147.8 | 98.2 | 0 | 0 | 109.9 | ||||
| 990 | S | 24.5 | Very low | 34.5 | Very low | 109 Ų | 109 | 126.9 Ų | 126.9 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | -158.3 | 167.8 | 175.7 | -171.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 991 | L | 27.5 | Very low | 36.5 | Very low | 157 Ų | 157 | 127 Ų | 127 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | S | Bend | trans | 79.7 | 35.9 | 172.3 | -49.4 | -179.9 | 0 | 0 | 0 | 118.5 | ||
| 992 | T | 31.8 | Very low | 38.6 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 91% | 0.908 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -133.3 | 40 | 154.7 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 993 | S | 29.3 | Very low | 40.9 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | trans | -151.1 | 64.1 | 175.3 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | S995 | S993-S995 PolarHBondContact O-N 3.42Š| ||
| 994 | S | 33.6 | Very low | 43.7 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | trans | -72.6 | 78.4 | 165.7 | 57.2 | 0 | 0 | 0 | 0 | 109.6 | G996 | S994-G996 VanDerWaalsContact C-N 3.3Å; S994-G996 PolarHBondContact O-N 3.27Å | ||
| 995 | S | 35.3 | Very low | 46.3 | Very low | 103 Ų | 103 | 125.4 Ų | 125.4 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | trans | -65.1 | 91.4 | 170.3 | 54.6 | 0 | 0 | 0 | 0 | 108.8 | S993 Q997 | S993-S995 PolarHBondContact O-N 3.42Å; S995-Q997 PolarHBondContact O-N 2.75Å | ||
| 996 | G | 37 | Very low | 49.1 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 68% | 0.684 | S | S | * | * | trans | -59.9 | 108.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | S994 S998 | S994-G996 VanDerWaalsContact C-N 3.3Å; S994-G996 PolarHBondContact O-N 3.27Å; G996-S998 PolarHBondContact O-N 3.47Å | ||
| 997 | Q | 41.4 | Very low | 52 | Low | 182 Ų | 182 | 113.4 Ų | 113.4 | 85% | 0.85 | 66% | 0.658 | S | S | * | * | trans | -69.4 | 80.3 | 168.8 | -73 | 172 | -55.6 | 0 | 0 | 108 | S995 N999 | S995-Q997 PolarHBondContact O-N 2.75Å; Q997-N999 PolarHBondContact O-N 2.78Å; Q997-N999 PolarHBondContact O-OD1 3.33Å | ||
| 998 | S | 43 | Very low | 55.2 | Low | 101 Ų | 101 | 109.8 Ų | 109.8 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | trans | -64 | 117.7 | 164.3 | -174 | 0 | 0 | 0 | 0 | 107.2 | G996 S1000 | G996-S998 PolarHBondContact O-N 3.47Å; S998-S1000 PolarHBondContact O-N 2.83Å | ||
| 999 | N | 51.2 | Low | 58.3 | Low | 123 Ų | 123 | 103.7 Ų | 103.7 | 66% | 0.658 | 60% | 0.596 | S | S | * | * | trans | -70.4 | 66.2 | 169.7 | -63.4 | 12.2 | 0 | 0 | 0 | 108.9 | Q997 V1001 | Q997-N999 PolarHBondContact O-N 2.78Å; Q997-N999 PolarHBondContact O-OD1 3.33Å; N999-V1001 PolarHBondContact O-N 2.9Å; N999-V1001 VanDerWaalsContact O-N 3.1Å | ||
| 1000 | S | 58.6 | Low | 61.4 | Low | 87 Ų | 87 | 94.8 Ų | 94.8 | 61% | 0.608 | 56% | 0.555 | S | S | * | * | trans | -76.6 | 94.4 | 177.9 | -169.4 | 0 | 0 | 0 | 0 | 108.1 | S998 R1002 | S998-S1000 PolarHBondContact O-N 2.83Å; S1000-R1002 PolarHBondContact O-N 3.19Å | ||
| 1001 | V | 71.3 | Confident | 64.7 | Low | 107 Ų | 107 | 92.7 Ų | 92.7 | 65% | 0.648 | 54% | 0.535 | S | S | * | . | trans | -52.4 | 133.1 | 164.2 | -177.7 | 0 | 0 | 0 | 0 | 107.7 | N999 | N999-V1001 PolarHBondContact O-N 2.9Å; N999-V1001 VanDerWaalsContact O-N 3.1Å | ||
| 1002 | R | 74.2 | Confident | 67.9 | Low | 210 Ų | 210 | 85.4 Ų | 85.4 | 79% | 0.792 | 50% | 0.498 | S | S | * | . | trans | -118.9 | 135.9 | 169.3 | -72 | -170.9 | 176.2 | -160.2 | -1.4 | 107.8 | S1000 | S1000-R1002 PolarHBondContact O-N 3.19Š| ||
| 1003 | F | 80.7 | Confident | 71 | Confident | 114 Ų | 114 | 78.4 Ų | 78.4 | 50% | 0.5 | 46% | 0.455 | S | S | . | . | trans | -78.1 | 163.5 | 170.9 | -61.9 | -76.1 | 0 | 0 | 0 | 110.4 | I699 L1008 | I699-F1003 HydrophobicContact CD1-CZ 3.8Å; F1003-L1008 HydrophobicContact CB-CB 4.48Å | ||
| 1004 | H | 88.6 | Confident | 74.1 | Confident | 123 Ų | 123 | 75 Ų | 75 | 57% | 0.569 | 43% | 0.428 | S | S | * | . | trans | -65.6 | 133.1 | 167.2 | -164.1 | -101.4 | 0 | 0 | 0 | 108.7 | L1006 A1007 L1008 | H1004-L1006 VanDerWaalsContact C-N 3.28Å; H1004-L1006 PolarHBondContact O-N 2.73Å; H1004-A1007 HydrophobicContact CB-CB 4.12Å; H1004-A1007 PolarHBondContact O-N 3.45Å; H1004-L1008 PolarHBondContact O-N 2.86Å | ||
| 1005 | P | 90.5 | Very high | 76.9 | Confident | 36 Ų | 36 | 75.9 Ų | 75.9 | 23% | 0.234 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -63.9 | -34.7 | -170.9 | 26.6 | -35.4 | 0 | 0 | 0 | 112 | L1008 L1009 E1027 V1028 | P1005-L1008 PolarHBondContact O-N 3.38Å; P1005-L1009 WeakPolarHBondContact O-CB 3.45Å; P1005-L1009 PolarHBondContact O-N 2.76Å; P1005-E1027 HydrophobicContact CB-CB 3.98Å; P1005-V1028 VanDerWaalsContact C-CG2 3.42Å; P1005-V1028 HydrophobicContact CB-CG2 3.73Å; P1005-V1028 HydrophobicContact CG-CG2 4.24Å |
| 1006 | L | 92.7 | Very high | 79.7 | Confident | 12 Ų | 12 | 72 Ų | 72 | 6% | 0.063 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 172.4 | 178.6 | 63.7 | 0 | 0 | 0 | 112.8 | H1004 L1008 L1009 L1010 V1028 E1033 S1034 | H1004-L1006 VanDerWaalsContact C-N 3.28Å; H1004-L1006 PolarHBondContact O-N 2.73Å; L1006-L1008 VanDerWaalsContact C-N 3.31Å; L1006-L1008 PolarHBondContact O-N 3.39Å; L1006-L1009 WeakPolarHBondContact O-CB 3.38Å; L1006-L1009 PolarHBondContact O-N 3.45Å; L1006-L1010 HydrophobicContact CD1-CD1 4.23Å; L1006-L1010 HydrophobicContact CD1-CG 4.22Å; L1006-L1010 HydrophobicContact CD2-CD1 4.48Å; L1006-L1010 HydrophobicContact CG-CD1 3.9Å; L1006-L1010 HydrophobicContact CG-CG 4.37Å; L1006-L1010 WeakPolarHBondContact O-CB 3.47Å; L1006-L1010 VanDerWaalsContact O-CG 3.31Å; L1006-L1010 WeakPolarHBondContact O-CG 3.5Å; L1006-L1010 PolarHBondContact O-N 3.37Å; L1006-V1028 HydrophobicContact CB-CG2 4.43Å; L1006-E1033 HydrophobicContact CD1-CB 4Å; L1006-E1033 HydrophobicContact CD1-CG 4.45Å; L1006-E1033 WeakPolarHBondContact CD1-O 2.9Å; L1006-E1033 HydrophobicContact CD2-CB 4.14Å; L1006-E1033 HydrophobicContact CD2-CG 3.65Å; L1006-S1034 WeakPolarHBondContact CD2-O 3.5Å |
| 1007 | A | 92.8 | Very high | 82.4 | Confident | 24 Ų | 24 | 72.2 Ų | 72.2 | 20% | 0.198 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | H1004 L1009 L1010 D1011 | H1004-A1007 HydrophobicContact CB-CB 4.12Å; H1004-A1007 PolarHBondContact O-N 3.45Å; A1007-L1009 VanDerWaalsContact C-N 3.34Å; A1007-L1009 PolarHBondContact O-N 3.21Å; A1007-L1010 PolarHBondContact O-N 2.8Å; A1007-D1011 WeakPolarHBondContact O-CB 3.48Å; A1007-D1011 VanDerWaalsContact O-CG 3.23Å; A1007-D1011 PolarHBondContact O-N 3.08Å |
| 1008 | L | 94.2 | Very high | 84.9 | Confident | 42 Ų | 42 | 65.3 Ų | 65.3 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -63 | -39.1 | 173.9 | -173.1 | 65.2 | 0 | 0 | 0 | 112.2 | F1003 H1004 P1005 L1006 A1012 L1020 A1024 | F1003-L1008 HydrophobicContact CB-CB 4.48Å; H1004-L1008 PolarHBondContact O-N 2.86Å; P1005-L1008 PolarHBondContact O-N 3.38Å; L1006-L1008 VanDerWaalsContact C-N 3.31Å; L1006-L1008 PolarHBondContact O-N 3.39Å; L1008-A1012 WeakPolarHBondContact O-CB 3.41Å; L1008-A1012 PolarHBondContact O-N 3.05Å; L1008-L1020 HydrophobicContact CD1-CD1 4.24Å; L1008-L1020 HydrophobicContact CD1-CD2 4.08Å; L1008-L1020 HydrophobicContact CD1-CG 4.39Å; L1008-L1020 HydrophobicContact CD2-CD1 4.12Å; L1008-L1020 HydrophobicContact CG-CD1 4.24Å; L1008-L1020 HydrophobicContact CG-CG 4.46Å; L1008-A1024 HydrophobicContact CD2-CB 4.38Å; L1008-A1024 HydrophobicContact CG-CB 4.28Å |
| 1009 | L | 95.5 | Very high | 87.3 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 175.8 | 176.3 | 61.6 | 0 | 0 | 0 | 111.9 | P1005 L1006 A1007 A1013 V1021 A1024 A1025 V1028 V1031 A1041 L1057 | P1005-L1009 WeakPolarHBondContact O-CB 3.45Å; P1005-L1009 PolarHBondContact O-N 2.76Å; L1006-L1009 WeakPolarHBondContact O-CB 3.38Å; L1006-L1009 PolarHBondContact O-N 3.45Å; A1007-L1009 VanDerWaalsContact C-N 3.34Å; A1007-L1009 PolarHBondContact O-N 3.21Å; L1009-A1013 VanDerWaalsContact O-CB 3.22Å; L1009-A1013 WeakPolarHBondContact O-CB 3.31Å; L1009-A1013 PolarHBondContact O-N 2.97Å; L1009-V1021 HydrophobicContact CD1-CB 4.47Å; L1009-V1021 HydrophobicContact CD1-CG1 3.89Å; L1009-A1024 HydrophobicContact CB-CB 3.81Å; L1009-A1024 HydrophobicContact CD1-CB 4.22Å; L1009-A1025 HydrophobicContact CD1-CB 4.16Å; L1009-V1028 HydrophobicContact CB-CG2 4.38Å; L1009-V1028 HydrophobicContact CD2-CB 4.46Å; L1009-V1028 HydrophobicContact CD2-CG2 4.09Å; L1009-V1031 HydrophobicContact CD2-CG1 4.17Å; L1009-A1041 HydrophobicContact CD1-CB 4.3Å; L1009-A1041 HydrophobicContact CD2-CB 4.11Å; L1009-A1041 HydrophobicContact CG-CB 3.81Å; L1009-L1057 HydrophobicContact CD1-CD2 4.48Å |
| 1010 | L | 95.4 | Very high | 89.3 | Confident | 14 Ų | 14 | 63.2 Ų | 63.2 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61 | -48.6 | 177 | -73.4 | 164.5 | 0 | 0 | 0 | 111.9 | L1006 A1007 A1013 L1014 N1035 T1040 N1044 | L1006-L1010 HydrophobicContact CD1-CD1 4.23Å; L1006-L1010 HydrophobicContact CD1-CG 4.22Å; L1006-L1010 HydrophobicContact CD2-CD1 4.48Å; L1006-L1010 HydrophobicContact CG-CD1 3.9Å; L1006-L1010 HydrophobicContact CG-CG 4.37Å; L1006-L1010 WeakPolarHBondContact O-CB 3.47Å; L1006-L1010 VanDerWaalsContact O-CG 3.31Å; L1006-L1010 WeakPolarHBondContact O-CG 3.5Å; L1006-L1010 PolarHBondContact O-N 3.37Å; A1007-L1010 PolarHBondContact O-N 2.8Å; L1010-A1013 PolarHBondContact O-N 3.4Å; L1010-L1014 PolarHBondContact O-N 2.74Å; L1010-L1014 VanDerWaalsContact O-N 3.17Å; L1010-N1035 HydrophobicContact CD1-CB 3.96Å; L1010-T1040 VanDerWaalsContact CD2-C 3.44Å; L1010-N1044 PolarHBondContact O-ND2 3.45Å |
| 1011 | D | 93.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 59 Ų | 59 | 35% | 0.353 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.3 | -42.3 | -179.3 | -67.6 | -19.2 | 0 | 0 | 0 | 110.9 | A1007 A1013 L1014 E1015 | A1007-D1011 WeakPolarHBondContact O-CB 3.48Å; A1007-D1011 VanDerWaalsContact O-CG 3.23Å; A1007-D1011 PolarHBondContact O-N 3.08Å; D1011-A1013 PolarHBondContact O-N 3.1Å; D1011-L1014 PolarHBondContact O-N 2.92Å; D1011-E1015 PolarHBondContact O-N 2.81Å |
| 1012 | A | 95 | Very high | 92.2 | Very high | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -35.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113 | L1008 G1016 D1017 L1020 V1021 | L1008-A1012 WeakPolarHBondContact O-CB 3.41Å; L1008-A1012 PolarHBondContact O-N 3.05Å; A1012-G1016 PolarHBondContact O-N 3.5Å; A1012-D1017 PolarHBondContact O-N 3.24Å; A1012-D1017 VanDerWaalsContact O-N 3.14Å; A1012-L1020 HydrophobicContact CB-CB 4.05Å; A1012-L1020 HydrophobicContact CB-CD2 3.75Å; A1012-L1020 HydrophobicContact CB-CG 3.73Å; A1012-V1021 HydrophobicContact CB-CG2 3.74Å |
| 1013 | A | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.6 | -32.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L1009 L1010 D1011 V1021 A1041 N1044 A1045 V1053 | L1009-A1013 VanDerWaalsContact O-CB 3.22Å; L1009-A1013 WeakPolarHBondContact O-CB 3.31Å; L1009-A1013 PolarHBondContact O-N 2.97Å; L1010-A1013 PolarHBondContact O-N 3.4Å; D1011-A1013 PolarHBondContact O-N 3.1Å; A1013-V1021 HydrophobicContact CB-CG2 4.09Å; A1013-A1041 HydrophobicContact CB-CB 4.19Å; A1013-A1041 WeakPolarHBondContact CB-O 3.41Å; A1013-N1044 HydrophobicContact CB-CB 4.37Å; A1013-A1045 HydrophobicContact CB-CB 4.4Å; A1013-A1045 WeakPolarHBondContact O-CA 3.2Å; A1013-V1053 HydrophobicContact CB-CG1 4.09Å |
| 1014 | L | 94.5 | Very high | 93.6 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -70.8 | -45 | 173.5 | -169.5 | 71.3 | 0 | 0 | 0 | 111.5 | L1010 D1011 N1044 A1048 | L1010-L1014 PolarHBondContact O-N 2.74Å; L1010-L1014 VanDerWaalsContact O-N 3.17Å; D1011-L1014 PolarHBondContact O-N 2.92Å; L1014-N1044 HydrophobicContact CB-CB 4Å; L1014-N1044 HydrophobicContact CD1-CB 4.05Å; L1014-A1048 HydrophobicContact CD1-CB 4.25Å; L1014-A1048 WeakPolarHBondContact O-CB 3.49Å |
| 1015 | E | 93.6 | Very high | 93.8 | Very high | 144 Ų | 144 | 42 Ų | 42 | 67% | 0.673 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -69 | -35.6 | 179.4 | -169.9 | 66 | -169.7 | 0 | 0 | 111.8 | D1011 R1050 | D1011-E1015 PolarHBondContact O-N 2.81Å; E1015-R1050 VanDerWaalsContact O-CZ 3.29Å; E1015-R1050 PolarHBondContact O-NE 2.76Å; E1015-R1050 PolarHBondContact O-NH2 3.5Å |
| 1016 | G | 92.7 | Very high | 93.7 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 22% | 0.216 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.2 | 18.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | A1012 L1018 | A1012-G1016 PolarHBondContact O-N 3.5Å; G1016-L1018 PolarHBondContact O-N 2.89Å |
| 1017 | D | 93.8 | Very high | 93.6 | Very high | 77 Ų | 77 | 48.4 Ų | 48.4 | 41% | 0.412 | 26% | 0.255 | S | S | . | . | trans | -79.2 | 87.2 | 175.3 | -174.7 | -17.8 | 0 | 0 | 0 | 110 | A1012 E1019 L1020 V1021 | A1012-D1017 PolarHBondContact O-N 3.24Å; A1012-D1017 VanDerWaalsContact O-N 3.14Å; D1017-E1019 PolarHBondContact O-N 3.27Å; D1017-E1019 PolarHBondContact OD1-N 2.86Å; D1017-L1020 HydrophobicContact CB-CB 3.83Å; D1017-L1020 PolarHBondContact O-N 3.17Å; D1017-L1020 PolarHBondContact OD1-N 2.93Å; D1017-L1020 WeakPolarHBondContact OD2-CB 3.21Å; D1017-V1021 WeakPolarHBondContact O-CG2 3.31Å; D1017-V1021 PolarHBondContact O-N 3Å | ||
| 1018 | L | 94.8 | Very high | 93.4 | Very high | 37 Ų | 37 | 48.1 Ų | 48.1 | 19% | 0.194 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.1 | -32.9 | -179.3 | 178.6 | 62.8 | 0 | 0 | 0 | 113.7 | G1016 K1022 D1052 V1053 F1056 | G1016-L1018 PolarHBondContact O-N 2.89Å; L1018-K1022 HydrophobicContact CG-CD 4.35Å; L1018-K1022 WeakPolarHBondContact O-CB 3.08Å; L1018-K1022 WeakPolarHBondContact O-CD 3.48Å; L1018-K1022 WeakPolarHBondContact O-CG 3.08Å; L1018-K1022 PolarHBondContact O-N 3.1Å; L1018-D1052 HydrophobicContact CD2-CB 4.33Å; L1018-V1053 HydrophobicContact CB-CG2 4.23Å; L1018-V1053 HydrophobicContact CD1-CG2 4.27Å; L1018-F1056 HydrophobicContact CD1-CB 3.7Å; L1018-F1056 HydrophobicContact CD1-CG 4.12Å |
| 1019 | E | 94 | Very high | 92.9 | Very high | 124 Ų | 124 | 52.7 Ų | 52.7 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -78 | -36.5 | 179.3 | -66.5 | -59 | 121.2 | 0 | 0 | 111.5 | D1017 K1022 K1023 | D1017-E1019 PolarHBondContact O-N 3.27Å; D1017-E1019 PolarHBondContact OD1-N 2.86Å; E1019-K1022 WeakPolarHBondContact OE1-CD 3.28Å; E1019-K1022 IonicContact OE1-NZ 3.58Å; E1019-K1022 PolarHBondContact OE1-NZ 3.28Å; E1019-K1023 WeakPolarHBondContact O-CB 3.05Å; E1019-K1023 PolarHBondContact O-N 2.93Å; E1019-K1023 VanDerWaalsContact O-N 3.1Å |
| 1020 | L | 93.4 | Very high | 92.5 | Very high | 55 Ų | 55 | 56.9 Ų | 56.9 | 29% | 0.288 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.4 | -37.9 | 170.7 | -173.5 | 59.7 | 0 | 0 | 0 | 111.9 | L1008 A1012 D1017 K1023 A1024 | L1008-L1020 HydrophobicContact CD1-CD1 4.24Å; L1008-L1020 HydrophobicContact CD1-CD2 4.08Å; L1008-L1020 HydrophobicContact CD1-CG 4.39Å; L1008-L1020 HydrophobicContact CD2-CD1 4.12Å; L1008-L1020 HydrophobicContact CG-CD1 4.24Å; L1008-L1020 HydrophobicContact CG-CG 4.46Å; A1012-L1020 HydrophobicContact CB-CB 4.05Å; A1012-L1020 HydrophobicContact CB-CD2 3.75Å; A1012-L1020 HydrophobicContact CB-CG 3.73Å; D1017-L1020 HydrophobicContact CB-CB 3.83Å; D1017-L1020 PolarHBondContact O-N 3.17Å; D1017-L1020 PolarHBondContact OD1-N 2.93Å; D1017-L1020 WeakPolarHBondContact OD2-CB 3.21Å; L1020-K1023 PolarHBondContact O-N 3.06Å; L1020-A1024 VanDerWaalsContact O-CB 3.28Å; L1020-A1024 WeakPolarHBondContact O-CB 3.15Å; L1020-A1024 PolarHBondContact O-N 3.05Å |
| 1021 | V | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.8 | -51.9 | 172.2 | 167.7 | 0 | 0 | 0 | 0 | 110.9 | L1009 A1012 A1013 D1017 K1023 A1024 A1025 V1053 F1056 L1057 | L1009-V1021 HydrophobicContact CD1-CB 4.47Å; L1009-V1021 HydrophobicContact CD1-CG1 3.89Å; A1012-V1021 HydrophobicContact CB-CG2 3.74Å; A1013-V1021 HydrophobicContact CB-CG2 4.09Å; D1017-V1021 WeakPolarHBondContact O-CG2 3.31Å; D1017-V1021 PolarHBondContact O-N 3Å; V1021-K1023 PolarHBondContact O-N 2.69Å; V1021-A1024 PolarHBondContact O-N 2.67Å; V1021-A1025 VanDerWaalsContact O-CB 3.23Å; V1021-A1025 WeakPolarHBondContact O-CB 3.44Å; V1021-A1025 PolarHBondContact O-N 3.06Å; V1021-V1053 HydrophobicContact CG1-CG1 4.18Å; V1021-V1053 HydrophobicContact CG2-CG1 4.02Å; V1021-F1056 HydrophobicContact CG1-CD1 3.82Å; V1021-F1056 HydrophobicContact CG1-CE1 3.99Å; V1021-L1057 HydrophobicContact CG1-CD2 4.04Å; V1021-L1057 HydrophobicContact CG1-CG 4.44Å |
| 1022 | K | 94.4 | Very high | 92.3 | Very high | 66 Ų | 66 | 55 Ų | 55 | 29% | 0.287 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -52.4 | -43.8 | 176.1 | -78 | 163.1 | -172.7 | 165.8 | 0 | 111.8 | L1018 E1019 S1026 F1056 | L1018-K1022 HydrophobicContact CG-CD 4.35Å; L1018-K1022 WeakPolarHBondContact O-CB 3.08Å; L1018-K1022 WeakPolarHBondContact O-CD 3.48Å; L1018-K1022 WeakPolarHBondContact O-CG 3.08Å; L1018-K1022 PolarHBondContact O-N 3.1Å; E1019-K1022 WeakPolarHBondContact OE1-CD 3.28Å; E1019-K1022 IonicContact OE1-NZ 3.58Å; E1019-K1022 PolarHBondContact OE1-NZ 3.28Å; K1022-S1026 PolarHBondContact O-N 2.76Å; K1022-F1056 HydrophobicContact CB-CE1 4.47Å; K1022-F1056 HydrophobicContact CB-CZ 4.17Å; K1022-F1056 HydrophobicContact CG-CD1 4.24Å; K1022-F1056 HydrophobicContact CG-CD2 3.92Å; K1022-F1056 HydrophobicContact CG-CE1 3.96Å; K1022-F1056 HydrophobicContact CG-CE2 3.62Å; K1022-F1056 HydrophobicContact CG-CG 4.23Å; K1022-F1056 HydrophobicContact CG-CZ 3.65Å |
| 1023 | K | 92.8 | Very high | 92.1 | Very high | 114 Ų | 114 | 58.5 Ų | 58.5 | 50% | 0.496 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.3 | -49.5 | 178.9 | -170.3 | -170.6 | 172.1 | -143.8 | 0 | 112 | E1019 L1020 V1021 A1025 S1026 E1027 | E1019-K1023 WeakPolarHBondContact O-CB 3.05Å; E1019-K1023 PolarHBondContact O-N 2.93Å; E1019-K1023 VanDerWaalsContact O-N 3.1Å; L1020-K1023 PolarHBondContact O-N 3.06Å; V1021-K1023 PolarHBondContact O-N 2.69Å; K1023-A1025 PolarHBondContact O-N 3.35Å; K1023-S1026 WeakPolarHBondContact O-CB 3.15Å; K1023-S1026 PolarHBondContact O-N 3.07Å; K1023-S1026 PolarHBondContact O-OG 3.42Å; K1023-E1027 WeakPolarHBondContact CE-OE1 3.43Å; K1023-E1027 IonicContact NZ-OE1 3.41Å; K1023-E1027 PolarHBondContact NZ-OE1 2.7Å; K1023-E1027 PolarHBondContact O-N 2.76Å |
| 1024 | A | 92.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.008 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1008 L1009 L1020 V1021 S1026 E1027 V1028 | L1008-A1024 HydrophobicContact CD2-CB 4.38Å; L1008-A1024 HydrophobicContact CG-CB 4.28Å; L1009-A1024 HydrophobicContact CB-CB 3.81Å; L1009-A1024 HydrophobicContact CD1-CB 4.22Å; L1020-A1024 VanDerWaalsContact O-CB 3.28Å; L1020-A1024 WeakPolarHBondContact O-CB 3.15Å; L1020-A1024 PolarHBondContact O-N 3.05Å; V1021-A1024 PolarHBondContact O-N 2.67Å; A1024-S1026 PolarHBondContact O-N 3.08Å; A1024-E1027 CarbonylContact O-C 3.53Å; A1024-E1027 WeakPolarHBondContact O-CA 3.36Å; A1024-E1027 PolarHBondContact O-N 3.43Å; A1024-V1028 WeakPolarHBondContact O-CG2 3.41Å; A1024-V1028 PolarHBondContact O-N 2.89Å; A1024-V1028 VanDerWaalsContact O-N 3.08Å |
| 1025 | A | 91.2 | Very high | 91.8 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 12% | 0.116 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -27.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1009 V1021 K1023 V1031 F1056 | L1009-A1025 HydrophobicContact CD1-CB 4.16Å; V1021-A1025 VanDerWaalsContact O-CB 3.23Å; V1021-A1025 WeakPolarHBondContact O-CB 3.44Å; V1021-A1025 PolarHBondContact O-N 3.06Å; K1023-A1025 PolarHBondContact O-N 3.35Å; A1025-V1031 HydrophobicContact CB-CG2 3.89Å; A1025-F1056 HydrophobicContact CB-CE1 4.11Å |
| 1026 | S | 89.9 | Confident | 91.7 | Very high | 89 Ų | 89 | 63.2 Ų | 63.2 | 62% | 0.622 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8.7 | 172.4 | 77.8 | 0 | 0 | 0 | 0 | 114.7 | K1022 K1023 A1024 | K1022-S1026 PolarHBondContact O-N 2.76Å; K1023-S1026 WeakPolarHBondContact O-CB 3.15Å; K1023-S1026 PolarHBondContact O-N 3.07Å; K1023-S1026 PolarHBondContact O-OG 3.42Å; A1024-S1026 PolarHBondContact O-N 3.08Å |
| 1027 | E | 89.6 | Confident | 91.7 | Very high | 94 Ų | 94 | 65.5 Ų | 65.5 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -8.9 | 175.8 | -65.6 | -173 | -149.1 | 0 | 0 | 112.9 | P1005 K1023 A1024 | P1005-E1027 HydrophobicContact CB-CB 3.98Å; K1023-E1027 WeakPolarHBondContact CE-OE1 3.43Å; K1023-E1027 IonicContact NZ-OE1 3.41Å; K1023-E1027 PolarHBondContact NZ-OE1 2.7Å; K1023-E1027 PolarHBondContact O-N 2.76Å; A1024-E1027 CarbonylContact O-C 3.53Å; A1024-E1027 WeakPolarHBondContact O-CA 3.36Å; A1024-E1027 PolarHBondContact O-N 3.43Å |
| 1028 | V | 88.9 | Confident | 91.7 | Very high | 19 Ų | 19 | 62.4 Ų | 62.4 | 12% | 0.115 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -97.2 | 150.8 | 176.6 | 177.8 | 0 | 0 | 0 | 0 | 110.9 | P1005 L1006 L1009 A1024 D1030 | P1005-V1028 VanDerWaalsContact C-CG2 3.42Å; P1005-V1028 HydrophobicContact CB-CG2 3.73Å; P1005-V1028 HydrophobicContact CG-CG2 4.24Å; L1006-V1028 HydrophobicContact CB-CG2 4.43Å; L1009-V1028 HydrophobicContact CB-CG2 4.38Å; L1009-V1028 HydrophobicContact CD2-CB 4.46Å; L1009-V1028 HydrophobicContact CD2-CG2 4.09Å; A1024-V1028 WeakPolarHBondContact O-CG2 3.41Å; A1024-V1028 PolarHBondContact O-N 2.89Å; A1024-V1028 VanDerWaalsContact O-N 3.08Å; V1028-D1030 WeakPolarHBondContact CG1-O 3.25Å |
| 1029 | T | 84.9 | Confident | 91.7 | Very high | 138 Ų | 138 | 61 Ų | 61 | 85% | 0.847 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -83.2 | -31.7 | -179.7 | 38.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1030 | D | 87.1 | Confident | 91.9 | Very high | 87 Ų | 87 | 55.3 Ų | 55.3 | 47% | 0.465 | 30% | 0.304 | S | S | . | . | trans | -139.8 | 123.1 | 169.7 | -177.3 | -3 | 0 | 0 | 0 | 108.8 | V1028 S1032 E1033 | V1028-D1030 WeakPolarHBondContact CG1-O 3.25Å; D1030-S1032 PolarHBondContact O-N 3.28Å; D1030-S1032 VanDerWaalsContact OD1-CB 3.23Å; D1030-S1032 WeakPolarHBondContact OD1-CB 3.03Å; D1030-S1032 PolarHBondContact OD1-N 3.2Å; D1030-S1032 PolarHBondContact OD1-OG 2.93Å; D1030-E1033 VanDerWaalsContact O-CB 3.23Å; D1030-E1033 WeakPolarHBondContact O-CB 3.24Å; D1030-E1033 PolarHBondContact O-N 2.86Å; D1030-E1033 VanDerWaalsContact O-N 3.13Å | ||
| 1031 | V | 91.1 | Very high | 92 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -12.9 | -179.3 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | L1009 A1025 L1057 A1061 A1063 | L1009-V1031 HydrophobicContact CD2-CG1 4.17Å; A1025-V1031 HydrophobicContact CB-CG2 3.89Å; V1031-L1057 HydrophobicContact CG1-CD2 3.49Å; V1031-L1057 VanDerWaalsContact CG1-CD2 3.49Å; V1031-A1061 HydrophobicContact CB-CB 4.29Å; V1031-A1061 HydrophobicContact CG1-CB 3.89Å; V1031-A1061 HydrophobicContact CG2-CB 4.17Å; V1031-A1063 HydrophobicContact CG1-CB 4.18Å |
| 1032 | S | 92.2 | Very high | 92.1 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -2.4 | 173.2 | -36.1 | 0 | 0 | 0 | 0 | 113.5 | D1030 T1040 D1064 | D1030-S1032 PolarHBondContact O-N 3.28Å; D1030-S1032 VanDerWaalsContact OD1-CB 3.23Å; D1030-S1032 WeakPolarHBondContact OD1-CB 3.03Å; D1030-S1032 PolarHBondContact OD1-N 3.2Å; D1030-S1032 PolarHBondContact OD1-OG 2.93Å; S1032-T1040 VanDerWaalsContact O-CG2 3.28Å; S1032-T1040 WeakPolarHBondContact O-CG2 3.49Å; S1032-D1064 PolarHBondContact OG-N 3.3Å |
| 1033 | E | 90.7 | Very high | 92.2 | Very high | 79 Ų | 79 | 49.6 Ų | 49.6 | 37% | 0.369 | 28% | 0.276 | S | S | . | . | trans | -60.8 | 142.9 | 177.3 | -165.7 | -179.2 | -159.3 | 0 | 0 | 110.7 | L1006 D1030 | L1006-E1033 HydrophobicContact CD1-CB 4Å; L1006-E1033 HydrophobicContact CD1-CG 4.45Å; L1006-E1033 WeakPolarHBondContact CD1-O 2.9Å; L1006-E1033 HydrophobicContact CD2-CB 4.14Å; L1006-E1033 HydrophobicContact CD2-CG 3.65Å; D1030-E1033 VanDerWaalsContact O-CB 3.23Å; D1030-E1033 WeakPolarHBondContact O-CB 3.24Å; D1030-E1033 PolarHBondContact O-N 2.86Å; D1030-E1033 VanDerWaalsContact O-N 3.13Å | ||
| 1034 | S | 93 | Very high | 92.4 | Very high | 56 Ų | 56 | 44.7 Ų | 44.7 | 39% | 0.392 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -111.3 | 162.3 | -172.6 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | L1006 G1038 I1039 | L1006-S1034 WeakPolarHBondContact CD2-O 3.5Å; S1034-G1038 WeakPolarHBondContact CB-O 3.33Å; S1034-I1039 WeakPolarHBondContact CA-O 3.04Å |
| 1035 | N | 92.5 | Very high | 92.6 | Very high | 45 Ų | 45 | 44.6 Ų | 44.6 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | trans | -75.5 | -179.4 | 164.3 | 79.6 | -12.9 | 0 | 0 | 0 | 111.8 | L1010 E1037 G1038 I1039 | L1010-N1035 HydrophobicContact CD1-CB 3.96Å; N1035-E1037 PolarHBondContact ND2-OE2 3.12Å; N1035-E1037 PolarHBondContact O-N 3.17Å; N1035-E1037 VanDerWaalsContact OD1-C 3.31Å; N1035-E1037 VanDerWaalsContact OD1-CA 3.31Å; N1035-E1037 WeakPolarHBondContact OD1-CA 3.38Å; N1035-E1037 WeakPolarHBondContact OD1-CB 3.28Å; N1035-E1037 PolarHBondContact OD1-N 3.16Å; N1035-G1038 PolarHBondContact O-N 3.11Å; N1035-G1038 PolarHBondContact OD1-N 2.95Å; N1035-G1038 VanDerWaalsContact OD1-N 3.14Å; N1035-I1039 PolarHBondContact N-O 3.46Å; N1035-I1039 WeakPolarHBondContact OD1-CB 3.35Å; N1035-I1039 PolarHBondContact OD1-N 2.95Å; N1035-I1039 PolarHBondContact OD1-O 3.49Å | ||
| 1036 | D | 91.8 | Very high | 92.8 | Very high | 172 Ų | 172 | 44 Ų | 44 | 92% | 0.92 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -10.7 | 176.8 | -54.8 | -62.5 | 0 | 0 | 0 | 114.5 | ||
| 1037 | E | 92.7 | Very high | 93 | Very high | 69 Ų | 69 | 40.3 Ų | 40.3 | 32% | 0.322 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 7.6 | 177.6 | -54.9 | 172.5 | 128 | 0 | 0 | 111.9 | N1035 I1039 T1070 | N1035-E1037 PolarHBondContact ND2-OE2 3.12Å; N1035-E1037 PolarHBondContact O-N 3.17Å; N1035-E1037 VanDerWaalsContact OD1-C 3.31Å; N1035-E1037 VanDerWaalsContact OD1-CA 3.31Å; N1035-E1037 WeakPolarHBondContact OD1-CA 3.38Å; N1035-E1037 WeakPolarHBondContact OD1-CB 3.28Å; N1035-E1037 PolarHBondContact OD1-N 3.16Å; E1037-I1039 HydrophobicContact CB-CD1 4.11Å; E1037-I1039 HydrophobicContact CB-CG1 4.09Å; E1037-I1039 PolarHBondContact O-N 2.83Å; E1037-T1070 WeakPolarHBondContact O-CG2 3.14Å; E1037-T1070 PolarHBondContact O-N 2.88Å; E1037-T1070 PolarHBondContact O-OG1 2.9Å; E1037-T1070 VanDerWaalsContact O-OG1 3.08Å |
| 1038 | G | 93.3 | Very high | 93.2 | Very high | 12 Ų | 12 | 37.1 Ų | 37.1 | 12% | 0.124 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 75.7 | -2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S1034 N1035 T1040 | S1034-G1038 WeakPolarHBondContact CB-O 3.33Å; N1035-G1038 PolarHBondContact O-N 3.11Å; N1035-G1038 PolarHBondContact OD1-N 2.95Å; N1035-G1038 VanDerWaalsContact OD1-N 3.14Å; G1038-T1040 PolarHBondContact O-N 2.77Å |
| 1039 | I | 95.6 | Very high | 93.4 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | trans | -72 | 124.7 | -179.3 | -55.3 | 175.2 | 0 | 0 | 0 | 109.3 | I684 S1034 N1035 E1037 H1043 N1044 D1069 | I684-I1039 HydrophobicContact CD1-CD1 3.83Å; I684-I1039 HydrophobicContact CG1-CD1 3.77Å; S1034-I1039 WeakPolarHBondContact CA-O 3.04Å; N1035-I1039 PolarHBondContact N-O 3.46Å; N1035-I1039 WeakPolarHBondContact OD1-CB 3.35Å; N1035-I1039 PolarHBondContact OD1-N 2.95Å; N1035-I1039 PolarHBondContact OD1-O 3.49Å; E1037-I1039 HydrophobicContact CB-CD1 4.11Å; E1037-I1039 HydrophobicContact CB-CG1 4.09Å; E1037-I1039 PolarHBondContact O-N 2.83Å; I1039-H1043 HydrophobicContact CG2-CB 3.74Å; I1039-N1044 VanDerWaalsContact CG2-OD1 3.32Å; I1039-N1044 WeakPolarHBondContact CG2-OD1 3.42Å; I1039-D1069 HydrophobicContact CG1-CB 4.39Å | ||
| 1040 | T | 96.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.025 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -100.9 | 169.5 | 176.6 | 68.9 | 0 | 0 | 0 | 0 | 111.8 | L1010 S1032 G1038 L1042 H1043 N1044 A1067 | L1010-T1040 VanDerWaalsContact CD2-C 3.44Å; S1032-T1040 VanDerWaalsContact O-CG2 3.28Å; S1032-T1040 WeakPolarHBondContact O-CG2 3.49Å; G1038-T1040 PolarHBondContact O-N 2.77Å; T1040-L1042 PolarHBondContact O-N 2.71Å; T1040-H1043 PolarHBondContact N-ND1 3.21Å; T1040-H1043 WeakPolarHBondContact O-CB 3.33Å; T1040-H1043 PolarHBondContact O-N 2.81Å; T1040-H1043 VanDerWaalsContact O-N 3.08Å; T1040-H1043 PolarHBondContact OG1-ND1 2.93Å; T1040-N1044 PolarHBondContact O-N 2.81Å; T1040-A1067 HydrophobicContact CG2-CB 3.86Å |
| 1041 | A | 96.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.6 | -33.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1009 A1013 N1044 A1045 L1057 | L1009-A1041 HydrophobicContact CD1-CB 4.3Å; L1009-A1041 HydrophobicContact CD2-CB 4.11Å; L1009-A1041 HydrophobicContact CG-CB 3.81Å; A1013-A1041 HydrophobicContact CB-CB 4.19Å; A1013-A1041 WeakPolarHBondContact CB-O 3.41Å; A1041-N1044 PolarHBondContact O-N 3.31Å; A1041-A1045 WeakPolarHBondContact O-CB 3.28Å; A1041-A1045 PolarHBondContact O-N 3.49Å; A1041-L1057 HydrophobicContact CB-CD1 4.09Å; A1041-L1057 HydrophobicContact CB-CD2 4.32Å |
| 1042 | L | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -70.7 | -35.5 | 177.9 | -175.1 | 57.1 | 0 | 0 | 0 | 112.4 | T1040 V1046 A1054 L1057 V1058 V1065 P1075 L1091 | T1040-L1042 PolarHBondContact O-N 2.71Å; L1042-V1046 HydrophobicContact CD1-CG2 4.16Å; L1042-V1046 WeakPolarHBondContact O-CB 3.35Å; L1042-V1046 VanDerWaalsContact O-CG2 3.25Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.4Å; L1042-V1046 PolarHBondContact O-N 2.73Å; L1042-A1054 HydrophobicContact CD1-CB 4.09Å; L1042-L1057 HydrophobicContact CB-CD1 4.42Å; L1042-L1057 HydrophobicContact CD1-CB 4.29Å; L1042-L1057 HydrophobicContact CD1-CD1 4.44Å; L1042-V1058 HydrophobicContact CD1-CG2 3.85Å; L1042-V1058 HydrophobicContact CD2-CG2 3.82Å; L1042-V1065 HydrophobicContact CD2-CG1 4.21Å; L1042-P1075 HydrophobicContact CB-CG 4.43Å; L1042-P1075 HydrophobicContact CD2-CB 4.22Å; L1042-P1075 HydrophobicContact CD2-CG 3.92Å; L1042-P1075 HydrophobicContact CG-CB 4.07Å; L1042-P1075 HydrophobicContact CG-CG 3.93Å; L1042-L1091 HydrophobicContact CD2-CD2 4.07Å |
| 1043 | H | 97.3 | Very high | 94.6 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.4 | -49.7 | 172.4 | -72.9 | 89.1 | 0 | 0 | 0 | 110.8 | I1039 T1040 A1045 V1046 C1047 A1067 W1073 P1075 | I1039-H1043 HydrophobicContact CG2-CB 3.74Å; T1040-H1043 PolarHBondContact N-ND1 3.21Å; T1040-H1043 WeakPolarHBondContact O-CB 3.33Å; T1040-H1043 PolarHBondContact O-N 2.81Å; T1040-H1043 VanDerWaalsContact O-N 3.08Å; T1040-H1043 PolarHBondContact OG1-ND1 2.93Å; H1043-A1045 PolarHBondContact O-N 3.07Å; H1043-V1046 PolarHBondContact O-N 2.91Å; H1043-C1047 WeakPolarHBondContact O-CB 3.2Å; H1043-C1047 PolarHBondContact O-N 3.43Å; H1043-C1047 PolarHBondContact O-SG 3.5Å; H1043-A1067 PolarHBondContact CE1-O 3.07Å; H1043-A1067 VanDerWaalsContact CE1-O 3.29Å; H1043-W1073 PolarHBondContact NE2-O 3.49Å; H1043-P1075 WeakPolarHBondContact NE2-CD 2.85Å |
| 1044 | N | 95.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.059 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.6 | -47.5 | 178.3 | -83.1 | 2.5 | 0 | 0 | 0 | 112.5 | L1010 A1013 L1014 I1039 T1040 A1041 V1046 A1048 | L1010-N1044 PolarHBondContact O-ND2 3.45Å; A1013-N1044 HydrophobicContact CB-CB 4.37Å; L1014-N1044 HydrophobicContact CB-CB 4Å; L1014-N1044 HydrophobicContact CD1-CB 4.05Å; I1039-N1044 VanDerWaalsContact CG2-OD1 3.32Å; I1039-N1044 WeakPolarHBondContact CG2-OD1 3.42Å; T1040-N1044 PolarHBondContact O-N 2.81Å; A1041-N1044 PolarHBondContact O-N 3.31Å; N1044-V1046 VanDerWaalsContact C-N 3.34Å; N1044-V1046 PolarHBondContact O-N 3.35Å; N1044-A1048 WeakPolarHBondContact O-CB 3.36Å; N1044-A1048 PolarHBondContact O-N 2.92Å |
| 1045 | A | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1013 A1041 H1043 G1049 R1050 V1053 A1054 L1057 | A1013-A1045 HydrophobicContact CB-CB 4.4Å; A1013-A1045 WeakPolarHBondContact O-CA 3.2Å; A1041-A1045 WeakPolarHBondContact O-CB 3.28Å; A1041-A1045 PolarHBondContact O-N 3.49Å; H1043-A1045 PolarHBondContact O-N 3.07Å; A1045-G1049 PolarHBondContact O-N 2.91Å; A1045-R1050 HydrophobicContact CB-CB 4.49Å; A1045-R1050 PolarHBondContact O-N 2.73Å; A1045-V1053 HydrophobicContact CB-CB 4.16Å; A1045-V1053 HydrophobicContact CB-CG1 3.65Å; A1045-A1054 HydrophobicContact CB-CB 4.41Å; A1045-L1057 HydrophobicContact CB-CD1 4.02Å |
| 1046 | V | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70 | -47.7 | -180 | 167.8 | 0 | 0 | 0 | 0 | 111.8 | L1042 H1043 N1044 A1048 G1049 A1054 P1075 C1078 A1079 L1087 L1091 | L1042-V1046 HydrophobicContact CD1-CG2 4.16Å; L1042-V1046 WeakPolarHBondContact O-CB 3.35Å; L1042-V1046 VanDerWaalsContact O-CG2 3.25Å; L1042-V1046 WeakPolarHBondContact O-CG2 3.4Å; L1042-V1046 PolarHBondContact O-N 2.73Å; H1043-V1046 PolarHBondContact O-N 2.91Å; N1044-V1046 VanDerWaalsContact C-N 3.34Å; N1044-V1046 PolarHBondContact O-N 3.35Å; V1046-A1048 VanDerWaalsContact C-N 3.26Å; V1046-A1048 PolarHBondContact O-N 3.34Å; V1046-G1049 PolarHBondContact O-N 2.68Å; V1046-A1054 HydrophobicContact CG2-CB 4.42Å; V1046-P1075 WeakPolarHBondContact CG1-O 3.48Å; V1046-P1075 HydrophobicContact CG2-CB 4.38Å; V1046-C1078 HydrophobicContact CG1-CB 3.72Å; V1046-A1079 HydrophobicContact CG1-CB 3.81Å; V1046-L1087 HydrophobicContact CB-CD1 4.3Å; V1046-L1087 HydrophobicContact CG1-CD1 4.11Å; V1046-L1087 HydrophobicContact CG2-CD1 4.29Å; V1046-L1087 HydrophobicContact CG2-CD2 4.38Å; V1046-L1091 HydrophobicContact CG2-CD1 4.23Å |
| 1047 | C | 94.5 | Very high | 95.3 | Very high | 12 Ų | 12 | 24.6 Ų | 24.6 | 8% | 0.081 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.5 | -33.2 | 176.8 | -73.8 | 0 | 0 | 0 | 0 | 112.9 | M681 H1043 G1049 | M681-C1047 HydrophobicContact CE-CB 3.92Å; M681-C1047 WeakPolarHBondContact CE-O 3.46Å; M681-C1047 HydrophobicContact SD-CB 3.85Å; H1043-C1047 WeakPolarHBondContact O-CB 3.2Å; H1043-C1047 PolarHBondContact O-N 3.43Å; H1043-C1047 PolarHBondContact O-SG 3.5Å; C1047-G1049 VanDerWaalsContact C-N 3.32Å |
| 1048 | A | 92.9 | Very high | 95.4 | Very high | 27 Ų | 27 | 21.3 Ų | 21.3 | 22% | 0.223 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | 3.1 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1014 N1044 V1046 R1050 | L1014-A1048 HydrophobicContact CD1-CB 4.25Å; L1014-A1048 WeakPolarHBondContact O-CB 3.49Å; N1044-A1048 WeakPolarHBondContact O-CB 3.36Å; N1044-A1048 PolarHBondContact O-N 2.92Å; V1046-A1048 VanDerWaalsContact C-N 3.26Å; V1046-A1048 PolarHBondContact O-N 3.34Å; A1048-R1050 HydrophobicContact CB-CG 3.82Å; A1048-R1050 PolarHBondContact O-N 3.41Å; A1048-R1050 PolarHBondContact O-NH1 3.19Å |
| 1049 | G | 93.3 | Very high | 95.4 | Very high | 33 Ų | 33 | 24.5 Ų | 24.5 | 34% | 0.34 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 21.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | A1045 V1046 C1047 V1051 | A1045-G1049 PolarHBondContact O-N 2.91Å; V1046-G1049 PolarHBondContact O-N 2.68Å; C1047-G1049 VanDerWaalsContact C-N 3.32Å; G1049-V1051 PolarHBondContact O-N 2.92Å |
| 1050 | R | 94.6 | Very high | 95.2 | Very high | 96 Ų | 96 | 27.5 Ų | 27.5 | 36% | 0.362 | 15% | 0.152 | S | C | . | . | trans | -82.5 | 78.1 | -175.2 | -56.7 | -56.2 | -166.8 | -135.9 | 12.8 | 110.6 | E1015 A1045 A1048 D1052 V1053 A1054 | E1015-R1050 VanDerWaalsContact O-CZ 3.29Å; E1015-R1050 PolarHBondContact O-NE 2.76Å; E1015-R1050 PolarHBondContact O-NH2 3.5Å; A1045-R1050 HydrophobicContact CB-CB 4.49Å; A1045-R1050 PolarHBondContact O-N 2.73Å; A1048-R1050 HydrophobicContact CB-CG 3.82Å; A1048-R1050 PolarHBondContact O-N 3.41Å; A1048-R1050 PolarHBondContact O-NH1 3.19Å; R1050-D1052 VanDerWaalsContact C-N 3.33Å; R1050-D1052 PolarHBondContact O-N 2.98Å; R1050-V1053 HydrophobicContact CB-CB 3.83Å; R1050-V1053 HydrophobicContact CB-CG2 3.99Å; R1050-V1053 PolarHBondContact O-N 3.35Å; R1050-A1054 WeakPolarHBondContact O-CB 3.42Å; R1050-A1054 PolarHBondContact O-N 3.34Å | ||
| 1051 | V | 95 | Very high | 94.8 | Very high | 47 Ų | 47 | 28.7 Ų | 28.7 | 29% | 0.285 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -58.1 | -42.3 | -174.9 | -172.9 | 0 | 0 | 0 | 0 | 112.4 | G1049 A1054 E1055 L1087 | G1049-V1051 PolarHBondContact O-N 2.92Å; V1051-A1054 PolarHBondContact O-N 3.48Å; V1051-E1055 WeakPolarHBondContact O-CB 3.39Å; V1051-E1055 WeakPolarHBondContact O-CG 3.21Å; V1051-E1055 PolarHBondContact O-N 2.99Å; V1051-L1087 HydrophobicContact CB-CD2 4.44Å; V1051-L1087 HydrophobicContact CG1-CD2 4.4Å; V1051-L1087 HydrophobicContact CG2-CD2 4.27Å; V1051-L1087 HydrophobicContact CG2-CG 4.23Å |
| 1052 | D | 95.4 | Very high | 94.4 | Very high | 73 Ų | 73 | 29 Ų | 29 | 39% | 0.39 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.7 | -37.2 | 178.6 | 64.9 | -41.3 | 0 | 0 | 0 | 113.2 | L1018 R1050 F1056 | L1018-D1052 HydrophobicContact CD2-CB 4.33Å; R1050-D1052 VanDerWaalsContact C-N 3.33Å; R1050-D1052 PolarHBondContact O-N 2.98Å; D1052-F1056 PolarHBondContact O-N 2.71Å |
| 1053 | V | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -70.1 | -45.3 | 173 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | A1013 L1018 V1021 A1045 R1050 F1056 L1057 | A1013-V1053 HydrophobicContact CB-CG1 4.09Å; L1018-V1053 HydrophobicContact CB-CG2 4.23Å; L1018-V1053 HydrophobicContact CD1-CG2 4.27Å; V1021-V1053 HydrophobicContact CG1-CG1 4.18Å; V1021-V1053 HydrophobicContact CG2-CG1 4.02Å; A1045-V1053 HydrophobicContact CB-CB 4.16Å; A1045-V1053 HydrophobicContact CB-CG1 3.65Å; R1050-V1053 HydrophobicContact CB-CB 3.83Å; R1050-V1053 HydrophobicContact CB-CG2 3.99Å; R1050-V1053 PolarHBondContact O-N 3.35Å; V1053-F1056 PolarHBondContact O-N 2.71Å; V1053-L1057 HydrophobicContact CG1-CD1 3.87Å; V1053-L1057 HydrophobicContact CG1-CG 4.3Å; V1053-L1057 WeakPolarHBondContact O-CB 3.29Å; V1053-L1057 VanDerWaalsContact O-CG 3.26Å; V1053-L1057 WeakPolarHBondContact O-CG 3.47Å; V1053-L1057 PolarHBondContact O-N 2.71Å |
| 1054 | A | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1042 A1045 V1046 R1050 V1051 L1057 V1058 L1087 L1090 | L1042-A1054 HydrophobicContact CD1-CB 4.09Å; A1045-A1054 HydrophobicContact CB-CB 4.41Å; V1046-A1054 HydrophobicContact CG2-CB 4.42Å; R1050-A1054 WeakPolarHBondContact O-CB 3.42Å; R1050-A1054 PolarHBondContact O-N 3.34Å; V1051-A1054 PolarHBondContact O-N 3.48Å; A1054-L1057 PolarHBondContact O-N 2.87Å; A1054-V1058 WeakPolarHBondContact O-CG2 3.45Å; A1054-V1058 PolarHBondContact O-N 3.34Å; A1054-L1087 HydrophobicContact CB-CD2 3.53Å; A1054-L1090 HydrophobicContact CB-CD2 4.35Å |
| 1055 | E | 95.4 | Very high | 93.9 | Very high | 91 Ų | 91 | 29.9 Ų | 29.9 | 43% | 0.425 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -55.2 | -51.6 | 170.3 | -85.2 | -178.7 | -161.8 | 0 | 0 | 111.2 | V1051 L1057 V1058 L1059 L1090 | V1051-E1055 WeakPolarHBondContact O-CB 3.39Å; V1051-E1055 WeakPolarHBondContact O-CG 3.21Å; V1051-E1055 PolarHBondContact O-N 2.99Å; E1055-L1057 PolarHBondContact O-N 2.86Å; E1055-V1058 PolarHBondContact O-N 2.84Å; E1055-L1059 HydrophobicContact CB-CD1 4.04Å; E1055-L1059 HydrophobicContact CG-CD1 4.12Å; E1055-L1059 WeakPolarHBondContact O-CA 3.28Å; E1055-L1059 WeakPolarHBondContact O-CB 3.36Å; E1055-L1059 VanDerWaalsContact O-CG 3.26Å; E1055-L1059 WeakPolarHBondContact O-CG 3.49Å; E1055-L1059 PolarHBondContact O-N 2.82Å; E1055-L1090 HydrophobicContact CB-CD1 4.34Å; E1055-L1090 HydrophobicContact CG-CD1 3.48Å; E1055-L1090 VanDerWaalsContact CG-CD1 3.48Å |
| 1056 | F | 95.5 | Very high | 93.8 | Very high | 34 Ų | 34 | 30.7 Ų | 30.7 | 15% | 0.149 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -45.8 | 177.9 | 171.2 | -100 | 0 | 0 | 0 | 112.6 | L1018 V1021 K1022 A1025 D1052 V1053 V1058 T1060 A1061 | L1018-F1056 HydrophobicContact CD1-CB 3.7Å; L1018-F1056 HydrophobicContact CD1-CG 4.12Å; V1021-F1056 HydrophobicContact CG1-CD1 3.82Å; V1021-F1056 HydrophobicContact CG1-CE1 3.99Å; K1022-F1056 HydrophobicContact CB-CE1 4.47Å; K1022-F1056 HydrophobicContact CB-CZ 4.17Å; K1022-F1056 HydrophobicContact CG-CD1 4.24Å; K1022-F1056 HydrophobicContact CG-CD2 3.92Å; K1022-F1056 HydrophobicContact CG-CE1 3.96Å; K1022-F1056 HydrophobicContact CG-CE2 3.62Å; K1022-F1056 HydrophobicContact CG-CG 4.23Å; K1022-F1056 HydrophobicContact CG-CZ 3.65Å; A1025-F1056 HydrophobicContact CB-CE1 4.11Å; D1052-F1056 PolarHBondContact O-N 2.71Å; V1053-F1056 PolarHBondContact O-N 2.71Å; F1056-V1058 PolarHBondContact O-N 2.97Å; F1056-T1060 HydrophobicContact CD2-CG2 3.94Å; F1056-T1060 HydrophobicContact CE2-CG2 3.59Å; F1056-T1060 WeakPolarHBondContact O-CA 3.5Å; F1056-T1060 VanDerWaalsContact O-CB 3.31Å; F1056-T1060 WeakPolarHBondContact O-CB 3.02Å; F1056-T1060 PolarHBondContact O-N 2.87Å; F1056-A1061 HydrophobicContact CE1-CB 4.19Å; F1056-A1061 HydrophobicContact CZ-CB 4.37Å; F1056-A1061 PolarHBondContact O-N 2.71Å |
| 1057 | L | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | -178.2 | -71.5 | 172.7 | 0 | 0 | 0 | 111.9 | L1009 V1021 V1031 A1041 L1042 A1045 V1053 A1054 E1055 A1061 G1062 A1063 | L1009-L1057 HydrophobicContact CD1-CD2 4.48Å; V1021-L1057 HydrophobicContact CG1-CD2 4.04Å; V1021-L1057 HydrophobicContact CG1-CG 4.44Å; V1031-L1057 HydrophobicContact CG1-CD2 3.49Å; V1031-L1057 VanDerWaalsContact CG1-CD2 3.49Å; A1041-L1057 HydrophobicContact CB-CD1 4.09Å; A1041-L1057 HydrophobicContact CB-CD2 4.32Å; L1042-L1057 HydrophobicContact CB-CD1 4.42Å; L1042-L1057 HydrophobicContact CD1-CB 4.29Å; L1042-L1057 HydrophobicContact CD1-CD1 4.44Å; A1045-L1057 HydrophobicContact CB-CD1 4.02Å; V1053-L1057 HydrophobicContact CG1-CD1 3.87Å; V1053-L1057 HydrophobicContact CG1-CG 4.3Å; V1053-L1057 WeakPolarHBondContact O-CB 3.29Å; V1053-L1057 VanDerWaalsContact O-CG 3.26Å; V1053-L1057 WeakPolarHBondContact O-CG 3.47Å; V1053-L1057 PolarHBondContact O-N 2.71Å; A1054-L1057 PolarHBondContact O-N 2.87Å; E1055-L1057 PolarHBondContact O-N 2.86Å; L1057-A1061 CarbonylContact O-C 3.57Å; L1057-A1061 WeakPolarHBondContact O-CB 3.25Å; L1057-G1062 PolarHBondContact O-N 3.38Å; L1057-A1063 HydrophobicContact CB-CB 4.18Å; L1057-A1063 WeakPolarHBondContact O-CB 3.37Å; L1057-A1063 PolarHBondContact O-N 3.37Å |
| 1058 | V | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -79.8 | -52.7 | 179.4 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | L1042 A1054 E1055 F1056 V1065 L1090 L1091 H1094 | L1042-V1058 HydrophobicContact CD1-CG2 3.85Å; L1042-V1058 HydrophobicContact CD2-CG2 3.82Å; A1054-V1058 WeakPolarHBondContact O-CG2 3.45Å; A1054-V1058 PolarHBondContact O-N 3.34Å; E1055-V1058 PolarHBondContact O-N 2.84Å; F1056-V1058 PolarHBondContact O-N 2.97Å; V1058-V1065 HydrophobicContact CB-CG1 4.49Å; V1058-V1065 HydrophobicContact CG1-CG1 3.88Å; V1058-V1065 HydrophobicContact CG2-CG1 3.76Å; V1058-L1090 HydrophobicContact CB-CD2 4.23Å; V1058-L1090 HydrophobicContact CG2-CD2 3.95Å; V1058-L1091 HydrophobicContact CG2-CD2 4.42Å; V1058-H1094 HydrophobicContact CG1-CB 3.61Å |
| 1059 | L | 92.5 | Very high | 93.8 | Very high | 79 Ų | 79 | 32.3 Ų | 32.3 | 41% | 0.414 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -79.7 | -23.5 | -169.8 | -59 | 171.6 | 0 | 0 | 0 | 114.6 | E1055 H1094 I1213 | E1055-L1059 HydrophobicContact CB-CD1 4.04Å; E1055-L1059 HydrophobicContact CG-CD1 4.12Å; E1055-L1059 WeakPolarHBondContact O-CA 3.28Å; E1055-L1059 WeakPolarHBondContact O-CB 3.36Å; E1055-L1059 VanDerWaalsContact O-CG 3.26Å; E1055-L1059 WeakPolarHBondContact O-CG 3.49Å; E1055-L1059 PolarHBondContact O-N 2.82Å; L1059-H1094 WeakPolarHBondContact CD2-NE2 3.22Å; L1059-I1213 VanDerWaalsContact O-CD1 3.32Å; L1059-I1213 WeakPolarHBondContact O-CD1 3.48Å |
| 1060 | T | 90.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 34.9 Ų | 34.9 | 43% | 0.429 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -123 | -38.2 | -172.4 | -47.5 | 0 | 0 | 0 | 0 | 112.8 | F1056 | F1056-T1060 HydrophobicContact CD2-CG2 3.94Å; F1056-T1060 HydrophobicContact CE2-CG2 3.59Å; F1056-T1060 WeakPolarHBondContact O-CA 3.5Å; F1056-T1060 VanDerWaalsContact O-CB 3.31Å; F1056-T1060 WeakPolarHBondContact O-CB 3.02Å; F1056-T1060 PolarHBondContact O-N 2.87Å |
| 1061 | A | 87.9 | Confident | 93.8 | Very high | 28 Ų | 28 | 33.4 Ų | 33.4 | 23% | 0.231 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -93 | -16.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | V1031 F1056 L1057 | V1031-A1061 HydrophobicContact CB-CB 4.29Å; V1031-A1061 HydrophobicContact CG1-CB 3.89Å; V1031-A1061 HydrophobicContact CG2-CB 4.17Å; F1056-A1061 HydrophobicContact CE1-CB 4.19Å; F1056-A1061 HydrophobicContact CZ-CB 4.37Å; F1056-A1061 PolarHBondContact O-N 2.71Å; L1057-A1061 CarbonylContact O-C 3.57Å; L1057-A1061 WeakPolarHBondContact O-CB 3.25Å |
| 1062 | G | 87.8 | Confident | 93.8 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | trans | 73.2 | 26.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1057 | L1057-G1062 PolarHBondContact O-N 3.38Š| ||
| 1063 | A | 93.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 29.3 Ų | 29.3 | 3% | 0.025 | 18% | 0.179 | C | C | . | . | trans | -60.9 | 142.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1031 L1057 V1065 | V1031-A1063 HydrophobicContact CG1-CB 4.18Å; L1057-A1063 HydrophobicContact CB-CB 4.18Å; L1057-A1063 WeakPolarHBondContact O-CB 3.37Å; L1057-A1063 PolarHBondContact O-N 3.37Å; A1063-V1065 PolarHBondContact O-N 3.1Å; A1063-V1065 VanDerWaalsContact O-N 3.13Å | ||
| 1064 | D | 93.2 | Very high | 93.9 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | trans | -69.9 | 109.7 | -177.2 | -164.7 | -7.7 | 0 | 0 | 0 | 113.4 | S1032 N1066 A1067 R1212 | S1032-D1064 PolarHBondContact OG-N 3.3Å; D1064-N1066 PolarHBondContact O-N 3.49Å; D1064-N1066 PolarHBondContact OD1-N 3.09Å; D1064-A1067 HydrophobicContact CB-CB 4.34Å; D1064-A1067 PolarHBondContact O-N 3.35Å; D1064-R1212 IonicContact OD2-CZ 2.57Å; D1064-R1212 IonicContact OD2-NE 2.68Å; D1064-R1212 IonicContact OD2-NH2 3.15Å; D1064-R1212 PolarHBondContact OD2-NH2 2.79Å | ||
| 1065 | V | 95 | Very high | 93.9 | Very high | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.024 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -13.5 | 174.4 | -60.8 | 0 | 0 | 0 | 0 | 114 | L1042 V1058 A1063 L1091 H1094 A1096 L1210 | L1042-V1065 HydrophobicContact CD2-CG1 4.21Å; V1058-V1065 HydrophobicContact CB-CG1 4.49Å; V1058-V1065 HydrophobicContact CG1-CG1 3.88Å; V1058-V1065 HydrophobicContact CG2-CG1 3.76Å; A1063-V1065 PolarHBondContact O-N 3.1Å; A1063-V1065 VanDerWaalsContact O-N 3.13Å; V1065-L1091 HydrophobicContact CB-CD2 4.1Å; V1065-L1091 HydrophobicContact CG1-CD2 3.91Å; V1065-H1094 HydrophobicContact CG1-CB 4.37Å; V1065-A1096 HydrophobicContact CB-CB 4.42Å; V1065-A1096 HydrophobicContact CG2-CB 4.36Å; V1065-L1210 HydrophobicContact CG2-CD1 3.74Å |
| 1066 | N | 94.8 | Very high | 94 | Very high | 17 Ų | 17 | 25.5 Ų | 25.5 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 8.9 | 179.2 | -69.1 | -61.4 | 0 | 0 | 0 | 113.9 | D1064 G1068 G1095 A1096 S1097 F1145 L1210 | D1064-N1066 PolarHBondContact O-N 3.49Å; D1064-N1066 PolarHBondContact OD1-N 3.09Å; N1066-G1068 PolarHBondContact O-N 3.32Å; N1066-G1095 PolarHBondContact ND2-O 3.44Å; N1066-A1096 WeakPolarHBondContact OD1-CA 3.42Å; N1066-S1097 PolarHBondContact OD1-N 3.47Å; N1066-F1145 HydrophobicContact CB-CE1 3.93Å; N1066-F1145 HydrophobicContact CB-CZ 3.85Å; N1066-L1210 WeakPolarHBondContact ND2-CD1 3.47Å |
| 1067 | A | 94.2 | Very high | 94 | Very high | 17 Ų | 17 | 23.9 Ų | 23.9 | 14% | 0.14 | 15% | 0.154 | C | C | . | . | trans | -54.6 | 138.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1040 H1043 D1064 T1074 P1075 | T1040-A1067 HydrophobicContact CG2-CB 3.86Å; H1043-A1067 PolarHBondContact CE1-O 3.07Å; H1043-A1067 VanDerWaalsContact CE1-O 3.29Å; D1064-A1067 HydrophobicContact CB-CB 4.34Å; D1064-A1067 PolarHBondContact O-N 3.35Å; A1067-T1074 WeakPolarHBondContact O-CA 3.4Å; A1067-P1075 WeakPolarHBondContact O-CD 3.22Å | ||
| 1068 | G | 94.1 | Very high | 94 | Very high | 45 Ų | 45 | 23.9 Ų | 23.9 | 46% | 0.464 | 15% | 0.154 | S | C | . | . | trans | -111.6 | 134.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1066 W1073 | N1066-G1068 PolarHBondContact O-N 3.32Å; G1068-W1073 CarbonylContact C-O 3.46Å; G1068-W1073 VanDerWaalsContact CA-O 3.24Å; G1068-W1073 WeakPolarHBondContact CA-O 3.32Å | ||
| 1069 | D | 95.2 | Very high | 94 | Very high | 12 Ų | 12 | 23.9 Ų | 23.9 | 6% | 0.064 | 15% | 0.154 | C | C | . | . | trans | -76.2 | -179.9 | 171 | 87.1 | -6.7 | 0 | 0 | 0 | 112.5 | Y680 I1039 D1071 G1072 W1073 | Y680-D1069 PolarHBondContact OH-OD2 2.71Å; I1039-D1069 HydrophobicContact CG1-CB 4.39Å; D1069-D1071 PolarHBondContact O-N 3.37Å; D1069-D1071 WeakPolarHBondContact OD1-CA 3.06Å; D1069-D1071 PolarHBondContact OD1-N 3.41Å; D1069-G1072 PolarHBondContact O-N 3.34Å; D1069-G1072 PolarHBondContact OD1-N 3.44Å; D1069-W1073 PolarHBondContact N-O 3.25Å; D1069-W1073 PolarHBondContact OD1-N 3.16Å | ||
| 1070 | T | 94 | Very high | 94.1 | Very high | 87 Ų | 87 | 20.1 Ų | 20.1 | 53% | 0.534 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -21 | -179.9 | 44.3 | 0 | 0 | 0 | 0 | 115.5 | E1037 | E1037-T1070 WeakPolarHBondContact O-CG2 3.14Å; E1037-T1070 PolarHBondContact O-N 2.88Å; E1037-T1070 PolarHBondContact O-OG1 2.9Å; E1037-T1070 VanDerWaalsContact O-OG1 3.08Å |
| 1071 | D | 93.8 | Very high | 94.1 | Very high | 64 Ų | 64 | 17.4 Ų | 17.4 | 34% | 0.342 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 6.6 | 174.1 | -76.9 | -39.6 | 0 | 0 | 0 | 111.6 | D1069 W1073 L1103 | D1069-D1071 PolarHBondContact O-N 3.37Å; D1069-D1071 WeakPolarHBondContact OD1-CA 3.06Å; D1069-D1071 PolarHBondContact OD1-N 3.41Å; D1071-W1073 VanDerWaalsContact C-N 3.33Å; D1071-L1103 WeakPolarHBondContact O-CB 3.43Å; D1071-L1103 PolarHBondContact O-N 3.28Å |
| 1072 | G | 94.4 | Very high | 94.2 | Very high | 13 Ų | 13 | 18 Ų | 18 | 13% | 0.134 | 12% | 0.121 | C | C | . | . | trans | 76.2 | 14.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1069 | D1069-G1072 PolarHBondContact O-N 3.34Å; D1069-G1072 PolarHBondContact OD1-N 3.44Å | ||
| 1073 | W | 96.9 | Very high | 94.3 | Very high | 22 Ų | 22 | 18.2 Ų | 18.2 | 8% | 0.083 | 12% | 0.122 | C | C | . | . | trans | -69.2 | 144.3 | 170.7 | -70.7 | 63.2 | 0 | 0 | 0 | 109.3 | H1043 G1068 D1069 D1071 H1077 T1102 K1112 | H1043-W1073 PolarHBondContact NE2-O 3.49Å; G1068-W1073 CarbonylContact C-O 3.46Å; G1068-W1073 VanDerWaalsContact CA-O 3.24Å; G1068-W1073 WeakPolarHBondContact CA-O 3.32Å; D1069-W1073 PolarHBondContact N-O 3.25Å; D1069-W1073 PolarHBondContact OD1-N 3.16Å; D1071-W1073 VanDerWaalsContact C-N 3.33Å; W1073-H1077 HydrophobicContact CB-CB 4.41Å; W1073-H1077 HydrophobicContact CD2-CB 4.17Å; W1073-H1077 HydrophobicContact CE3-CB 3.59Å; W1073-H1077 HydrophobicContact CZ3-CB 4.2Å; W1073-T1102 HydrophobicContact CD2-CG2 4.32Å; W1073-T1102 HydrophobicContact CG-CG2 4.16Å; W1073-K1112 HydrophobicContact CH2-CD 3.91Å; W1073-K1112 HydrophobicContact CH2-CG 4.26Å; W1073-K1112 HydrophobicContact CZ2-CD 4.12Å; W1073-K1112 HydrophobicContact CZ3-CG 4.45Å | ||
| 1074 | T | 96.7 | Very high | 94.1 | Very high | 10 Ų | 10 | 19.7 Ų | 19.7 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | trans | -118.2 | 165.6 | 172.7 | 68.1 | 0 | 0 | 0 | 0 | 108.8 | A1067 L1076 H1077 C1078 A1100 | A1067-T1074 WeakPolarHBondContact O-CA 3.4Å; T1074-L1076 PolarHBondContact O-N 3.12Å; T1074-H1077 PolarHBondContact N-ND1 3.49Å; T1074-H1077 VanDerWaalsContact N-ND1 3.18Å; T1074-H1077 WeakPolarHBondContact O-CB 3.39Å; T1074-H1077 PolarHBondContact O-N 3.13Å; T1074-H1077 PolarHBondContact OG1-ND1 3.37Å; T1074-C1078 PolarHBondContact O-N 3.2Å; T1074-C1078 VanDerWaalsContact O-N 3.13Å; T1074-C1078 PolarHBondContact O-SG 3.47Å; T1074-A1100 HydrophobicContact CG2-CB 4.24Å | ||
| 1075 | P | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -52.2 | -29.8 | 176.6 | -29.3 | 36.9 | 0 | 0 | 0 | 113.6 | L1042 H1043 V1046 A1067 C1078 A1079 L1091 | L1042-P1075 HydrophobicContact CB-CG 4.43Å; L1042-P1075 HydrophobicContact CD2-CB 4.22Å; L1042-P1075 HydrophobicContact CD2-CG 3.92Å; L1042-P1075 HydrophobicContact CG-CB 4.07Å; L1042-P1075 HydrophobicContact CG-CG 3.93Å; H1043-P1075 WeakPolarHBondContact NE2-CD 2.85Å; V1046-P1075 WeakPolarHBondContact CG1-O 3.48Å; V1046-P1075 HydrophobicContact CG2-CB 4.38Å; A1067-P1075 WeakPolarHBondContact O-CD 3.22Å; P1075-C1078 PolarHBondContact O-N 2.87Å; P1075-A1079 WeakPolarHBondContact O-CB 3.3Å; P1075-A1079 PolarHBondContact O-N 3.45Å; P1075-L1091 VanDerWaalsContact C-CD1 3.48Å; P1075-L1091 HydrophobicContact CB-CD1 3.85Å; P1075-L1091 HydrophobicContact CB-CD2 3.94Å; P1075-L1091 WeakPolarHBondContact O-CD1 3.36Å |
| 1076 | L | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -72.6 | -35.2 | 176.7 | -170.5 | 60.8 | 0 | 0 | 0 | 113.1 | T1074 C1078 A1080 A1088 L1091 V1092 A1096 L1098 P1109 L1126 | T1074-L1076 PolarHBondContact O-N 3.12Å; L1076-C1078 VanDerWaalsContact C-N 3.35Å; L1076-A1080 WeakPolarHBondContact O-CB 3.26Å; L1076-A1080 PolarHBondContact O-N 3.16Å; L1076-A1088 HydrophobicContact CD1-CB 4.18Å; L1076-L1091 HydrophobicContact CB-CD1 4.48Å; L1076-L1091 HydrophobicContact CD1-CB 4.17Å; L1076-L1091 HydrophobicContact CD1-CD1 4.44Å; L1076-V1092 HydrophobicContact CD1-CG2 3.82Å; L1076-V1092 HydrophobicContact CD2-CG2 3.83Å; L1076-A1096 HydrophobicContact CB-CB 4.19Å; L1076-A1096 HydrophobicContact CD2-CB 3.92Å; L1076-L1098 HydrophobicContact CD2-CD2 4.24Å; L1076-P1109 HydrophobicContact CB-CB 4.45Å; L1076-P1109 HydrophobicContact CB-CG 4.27Å; L1076-P1109 HydrophobicContact CD2-CB 4.17Å; L1076-P1109 HydrophobicContact CD2-CG 4.03Å; L1076-P1109 HydrophobicContact CG-CB 3.84Å; L1076-P1109 HydrophobicContact CG-CG 4Å; L1076-L1126 HydrophobicContact CD1-CD2 4.2Å |
| 1077 | H | 96.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -42.6 | 170.8 | -65.2 | 93.3 | 0 | 0 | 0 | 110.7 | W1073 T1074 A1080 S1081 E1107 P1109 | W1073-H1077 HydrophobicContact CB-CB 4.41Å; W1073-H1077 HydrophobicContact CD2-CB 4.17Å; W1073-H1077 HydrophobicContact CE3-CB 3.59Å; W1073-H1077 HydrophobicContact CZ3-CB 4.2Å; T1074-H1077 PolarHBondContact N-ND1 3.49Å; T1074-H1077 VanDerWaalsContact N-ND1 3.18Å; T1074-H1077 WeakPolarHBondContact O-CB 3.39Å; T1074-H1077 PolarHBondContact O-N 3.13Å; T1074-H1077 PolarHBondContact OG1-ND1 3.37Å; H1077-A1080 PolarHBondContact O-N 3.01Å; H1077-S1081 WeakPolarHBondContact O-CB 3.45Å; H1077-S1081 PolarHBondContact O-N 2.99Å; H1077-S1081 PolarHBondContact O-OG 3.47Å; H1077-E1107 PolarHBondContact NE2-O 2.97Å; H1077-P1109 WeakPolarHBondContact NE2-CD 3.44Å |
| 1078 | C | 94.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.8 | -51.4 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | V1046 T1074 P1075 L1076 A1080 S1081 C1082 | V1046-C1078 HydrophobicContact CG1-CB 3.72Å; T1074-C1078 PolarHBondContact O-N 3.2Å; T1074-C1078 VanDerWaalsContact O-N 3.13Å; T1074-C1078 PolarHBondContact O-SG 3.47Å; P1075-C1078 PolarHBondContact O-N 2.87Å; L1076-C1078 VanDerWaalsContact C-N 3.35Å; C1078-A1080 VanDerWaalsContact C-N 3.3Å; C1078-A1080 PolarHBondContact O-N 3.34Å; C1078-S1081 PolarHBondContact O-N 2.94Å; C1078-S1081 PolarHBondContact O-OG 2.96Å; C1078-C1082 PolarHBondContact O-N 3.06Å; C1078-C1082 PolarHBondContact O-SG 3.14Å; C1078-C1082 VanDerWaalsContact O-SG 3.41Å |
| 1079 | A | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.6 | -41.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V1046 P1075 C1082 G1083 N1084 L1087 A1088 L1091 | V1046-A1079 HydrophobicContact CG1-CB 3.81Å; P1075-A1079 WeakPolarHBondContact O-CB 3.3Å; P1075-A1079 PolarHBondContact O-N 3.45Å; A1079-C1082 CarbonylContact O-C 3.5Å; A1079-C1082 PolarHBondContact O-N 2.94Å; A1079-G1083 PolarHBondContact O-N 3.15Å; A1079-N1084 PolarHBondContact O-N 3.33Å; A1079-L1087 HydrophobicContact CB-CB 4.03Å; A1079-A1088 HydrophobicContact CB-CB 4.35Å; A1079-L1091 HydrophobicContact CB-CD1 4Å |
| 1080 | A | 93.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.3 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1076 H1077 C1078 C1082 G1083 P1109 K1112 L1126 | L1076-A1080 WeakPolarHBondContact O-CB 3.26Å; L1076-A1080 PolarHBondContact O-N 3.16Å; H1077-A1080 PolarHBondContact O-N 3.01Å; C1078-A1080 VanDerWaalsContact C-N 3.3Å; C1078-A1080 PolarHBondContact O-N 3.34Å; A1080-C1082 PolarHBondContact O-N 3.35Å; A1080-G1083 PolarHBondContact O-N 3.27Å; A1080-P1109 HydrophobicContact CB-CB 4.37Å; A1080-P1109 WeakPolarHBondContact CB-O 3.19Å; A1080-K1112 HydrophobicContact CB-CB 4.48Å; A1080-L1126 HydrophobicContact CB-CD1 3.83Å |
| 1081 | S | 91.9 | Very high | 94.3 | Very high | 14 Ų | 14 | 19.2 Ų | 19.2 | 10% | 0.098 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.9 | -13.3 | 176.9 | 70.7 | 0 | 0 | 0 | 0 | 114.8 | N677 H1077 C1078 K1112 | N677-S1081 PolarHBondContact ND2-O 2.83Å; H1077-S1081 WeakPolarHBondContact O-CB 3.45Å; H1077-S1081 PolarHBondContact O-N 2.99Å; H1077-S1081 PolarHBondContact O-OG 3.47Å; C1078-S1081 PolarHBondContact O-N 2.94Å; C1078-S1081 PolarHBondContact O-OG 2.96Å; S1081-K1112 WeakPolarHBondContact CA-O 3.44Å |
| 1082 | C | 89.3 | Confident | 94.4 | Very high | 41 Ų | 41 | 16.2 Ų | 16.2 | 28% | 0.277 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.7 | 9.3 | 173 | -59.3 | 0 | 0 | 0 | 0 | 112.9 | C1078 A1079 A1080 N1084 | C1078-C1082 PolarHBondContact O-N 3.06Å; C1078-C1082 PolarHBondContact O-SG 3.14Å; C1078-C1082 VanDerWaalsContact O-SG 3.41Å; A1079-C1082 CarbonylContact O-C 3.5Å; A1079-C1082 PolarHBondContact O-N 2.94Å; A1080-C1082 PolarHBondContact O-N 3.35Å; C1082-N1084 HydrophobicContact CB-CB 4.45Å; C1082-N1084 PolarHBondContact O-N 3.47Å |
| 1083 | G | 89.5 | Confident | 94.4 | Very high | 11 Ų | 11 | 20 Ų | 20 | 11% | 0.113 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 13.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1079 A1080 V1085 | A1079-G1083 PolarHBondContact O-N 3.15Å; A1080-G1083 PolarHBondContact O-N 3.27Å; G1083-V1085 PolarHBondContact O-N 2.95Å |
| 1084 | N | 89.7 | Confident | 94.2 | Very high | 34 Ų | 34 | 20.6 Ų | 20.6 | 18% | 0.182 | 11% | 0.113 | C | C | . | . | trans | -84.7 | 82.7 | -162.2 | -166.3 | -51.9 | 0 | 0 | 0 | 111.3 | A1079 C1082 P1086 L1087 A1088 | A1079-N1084 PolarHBondContact O-N 3.33Å; C1082-N1084 HydrophobicContact CB-CB 4.45Å; C1082-N1084 PolarHBondContact O-N 3.47Å; N1084-P1086 WeakPolarHBondContact OD1-CD 3.38Å; N1084-L1087 HydrophobicContact CB-CB 4.25Å; N1084-L1087 HydrophobicContact CB-CD1 4.27Å; N1084-L1087 PolarHBondContact O-N 3.4Å; N1084-L1087 VanDerWaalsContact O-N 3.14Å; N1084-L1087 WeakPolarHBondContact OD1-CB 3.45Å; N1084-L1087 WeakPolarHBondContact OD1-CG 3.46Å; N1084-L1087 PolarHBondContact OD1-N 3.39Å; N1084-A1088 PolarHBondContact O-N 2.82Å | ||
| 1085 | V | 92.7 | Very high | 94 | Very high | 12 Ų | 12 | 20.1 Ų | 20.1 | 7% | 0.073 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.5 | -40.3 | -178.6 | -156 | 0 | 0 | 0 | 0 | 113.5 | G1083 A1088 K1089 E1121 C1122 Y1125 | G1083-V1085 PolarHBondContact O-N 2.95Å; V1085-A1088 PolarHBondContact O-N 3.32Å; V1085-K1089 HydrophobicContact CG1-CD 4.08Å; V1085-K1089 HydrophobicContact CG1-CG 4.48Å; V1085-K1089 WeakPolarHBondContact O-CB 3.42Å; V1085-K1089 WeakPolarHBondContact O-CD 3.22Å; V1085-K1089 VanDerWaalsContact O-CG 3.29Å; V1085-K1089 WeakPolarHBondContact O-CG 3.46Å; V1085-K1089 PolarHBondContact O-N 3.49Å; V1085-E1121 HydrophobicContact CG2-CB 3.77Å; V1085-C1122 HydrophobicContact CG2-CB 4.01Å; V1085-Y1125 HydrophobicContact CG1-CG 4.17Å |
| 1086 | P | 94.4 | Very high | 93.9 | Very high | 77 Ų | 77 | 20.1 Ų | 20.1 | 50% | 0.5 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -58.1 | -47 | 173.6 | -27.4 | 36.3 | 0 | 0 | 0 | 113.8 | N1084 K1089 L1090 | N1084-P1086 WeakPolarHBondContact OD1-CD 3.38Å; P1086-K1089 PolarHBondContact O-N 2.77Å; P1086-L1090 PolarHBondContact O-N 2.82Å |
| 1087 | L | 95.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.3 | -40 | 177.4 | -72.7 | 175.3 | 0 | 0 | 0 | 112.2 | V1046 V1051 A1054 A1079 N1084 K1089 L1090 L1091 | V1046-L1087 HydrophobicContact CB-CD1 4.3Å; V1046-L1087 HydrophobicContact CG1-CD1 4.11Å; V1046-L1087 HydrophobicContact CG2-CD1 4.29Å; V1046-L1087 HydrophobicContact CG2-CD2 4.38Å; V1051-L1087 HydrophobicContact CB-CD2 4.44Å; V1051-L1087 HydrophobicContact CG1-CD2 4.4Å; V1051-L1087 HydrophobicContact CG2-CD2 4.27Å; V1051-L1087 HydrophobicContact CG2-CG 4.23Å; A1054-L1087 HydrophobicContact CB-CD2 3.53Å; A1079-L1087 HydrophobicContact CB-CB 4.03Å; N1084-L1087 HydrophobicContact CB-CB 4.25Å; N1084-L1087 HydrophobicContact CB-CD1 4.27Å; N1084-L1087 PolarHBondContact O-N 3.4Å; N1084-L1087 VanDerWaalsContact O-N 3.14Å; N1084-L1087 WeakPolarHBondContact OD1-CB 3.45Å; N1084-L1087 WeakPolarHBondContact OD1-CG 3.46Å; N1084-L1087 PolarHBondContact OD1-N 3.39Å; L1087-K1089 VanDerWaalsContact C-N 3.3Å; L1087-K1089 PolarHBondContact O-N 3.46Å; L1087-L1090 PolarHBondContact O-N 3.45Å; L1087-L1091 WeakPolarHBondContact O-CB 3.42Å; L1087-L1091 VanDerWaalsContact O-CG 3.28Å; L1087-L1091 WeakPolarHBondContact O-CG 3.44Å; L1087-L1091 PolarHBondContact O-N 3.47Å |
| 1088 | A | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.6 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L1076 A1079 N1084 V1085 V1092 Y1125 | L1076-A1088 HydrophobicContact CD1-CB 4.18Å; A1079-A1088 HydrophobicContact CB-CB 4.35Å; N1084-A1088 PolarHBondContact O-N 2.82Å; V1085-A1088 PolarHBondContact O-N 3.32Å; A1088-V1092 WeakPolarHBondContact O-CB 3.21Å; A1088-V1092 VanDerWaalsContact O-CG2 3.23Å; A1088-V1092 WeakPolarHBondContact O-CG2 3.19Å; A1088-V1092 PolarHBondContact O-N 3.37Å; A1088-V1092 VanDerWaalsContact O-N 3.08Å; A1088-Y1125 HydrophobicContact CB-CD1 4.32Å; A1088-Y1125 HydrophobicContact CB-CE1 4.36Å |
| 1089 | K | 95.4 | Very high | 93.6 | Very high | 86 Ų | 86 | 22 Ų | 22 | 37% | 0.374 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -61.5 | -54.1 | 172.1 | -79.5 | 162.6 | 179.5 | 157.8 | 0 | 111.5 | V1085 P1086 L1087 L1091 V1092 E1093 Y1125 | V1085-K1089 HydrophobicContact CG1-CD 4.08Å; V1085-K1089 HydrophobicContact CG1-CG 4.48Å; V1085-K1089 WeakPolarHBondContact O-CB 3.42Å; V1085-K1089 WeakPolarHBondContact O-CD 3.22Å; V1085-K1089 VanDerWaalsContact O-CG 3.29Å; V1085-K1089 WeakPolarHBondContact O-CG 3.46Å; V1085-K1089 PolarHBondContact O-N 3.49Å; P1086-K1089 PolarHBondContact O-N 2.77Å; L1087-K1089 VanDerWaalsContact C-N 3.3Å; L1087-K1089 PolarHBondContact O-N 3.46Å; K1089-L1091 PolarHBondContact O-N 2.82Å; K1089-V1092 PolarHBondContact O-N 2.94Å; K1089-E1093 WeakPolarHBondContact O-CB 3.38Å; K1089-E1093 WeakPolarHBondContact O-CG 3.4Å; K1089-E1093 PolarHBondContact O-N 2.89Å; K1089-Y1125 HydrophobicContact CD-CE2 4.34Å; K1089-Y1125 HydrophobicContact CG-CD1 4.41Å; K1089-Y1125 HydrophobicContact CG-CD2 4.08Å; K1089-Y1125 HydrophobicContact CG-CE1 3.9Å; K1089-Y1125 HydrophobicContact CG-CE2 3.5Å; K1089-Y1125 VanDerWaalsContact CG-CZ 3.43Å |
| 1090 | L | 95.7 | Very high | 93.5 | Very high | 20 Ų | 20 | 23 Ų | 23 | 11% | 0.105 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -52.4 | -52.2 | 178.3 | 179.7 | 116.4 | 0 | 0 | 0 | 111.8 | A1054 E1055 V1058 P1086 L1087 E1093 H1094 | A1054-L1090 HydrophobicContact CB-CD2 4.35Å; E1055-L1090 HydrophobicContact CB-CD1 4.34Å; E1055-L1090 HydrophobicContact CG-CD1 3.48Å; E1055-L1090 VanDerWaalsContact CG-CD1 3.48Å; V1058-L1090 HydrophobicContact CB-CD2 4.23Å; V1058-L1090 HydrophobicContact CG2-CD2 3.95Å; P1086-L1090 PolarHBondContact O-N 2.82Å; L1087-L1090 PolarHBondContact O-N 3.45Å; L1090-E1093 PolarHBondContact O-N 2.9Å; L1090-H1094 PolarHBondContact O-N 2.81Å; L1090-H1094 PolarHBondContact O-ND1 3.42Å |
| 1091 | L | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -64.4 | -45.3 | -176.9 | -68.7 | 168.8 | 0 | 0 | 0 | 112.2 | L1042 V1046 V1058 V1065 P1075 L1076 A1079 L1087 K1089 H1094 G1095 A1096 | L1042-L1091 HydrophobicContact CD2-CD2 4.07Å; V1046-L1091 HydrophobicContact CG2-CD1 4.23Å; V1058-L1091 HydrophobicContact CG2-CD2 4.42Å; V1065-L1091 HydrophobicContact CB-CD2 4.1Å; V1065-L1091 HydrophobicContact CG1-CD2 3.91Å; P1075-L1091 VanDerWaalsContact C-CD1 3.48Å; P1075-L1091 HydrophobicContact CB-CD1 3.85Å; P1075-L1091 HydrophobicContact CB-CD2 3.94Å; P1075-L1091 WeakPolarHBondContact O-CD1 3.36Å; L1076-L1091 HydrophobicContact CB-CD1 4.48Å; L1076-L1091 HydrophobicContact CD1-CB 4.17Å; L1076-L1091 HydrophobicContact CD1-CD1 4.44Å; A1079-L1091 HydrophobicContact CB-CD1 4Å; L1087-L1091 WeakPolarHBondContact O-CB 3.42Å; L1087-L1091 VanDerWaalsContact O-CG 3.28Å; L1087-L1091 WeakPolarHBondContact O-CG 3.44Å; L1087-L1091 PolarHBondContact O-N 3.47Å; K1089-L1091 PolarHBondContact O-N 2.82Å; L1091-H1094 PolarHBondContact O-N 3.38Å; L1091-G1095 PolarHBondContact O-N 2.84Å; L1091-A1096 HydrophobicContact CB-CB 3.98Å; L1091-A1096 WeakPolarHBondContact O-CB 3.2Å; L1091-A1096 PolarHBondContact O-N 2.97Å |
| 1092 | V | 95.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 179.2 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | L1076 A1088 K1089 H1094 G1095 L1098 Y1125 L1126 Q1129 Y1208 | L1076-V1092 HydrophobicContact CD1-CG2 3.82Å; L1076-V1092 HydrophobicContact CD2-CG2 3.83Å; A1088-V1092 WeakPolarHBondContact O-CB 3.21Å; A1088-V1092 VanDerWaalsContact O-CG2 3.23Å; A1088-V1092 WeakPolarHBondContact O-CG2 3.19Å; A1088-V1092 PolarHBondContact O-N 3.37Å; A1088-V1092 VanDerWaalsContact O-N 3.08Å; K1089-V1092 PolarHBondContact O-N 2.94Å; V1092-H1094 PolarHBondContact O-N 2.91Å; V1092-G1095 PolarHBondContact O-N 3.49Å; V1092-L1098 HydrophobicContact CG1-CD2 4.11Å; V1092-L1098 HydrophobicContact CG2-CD2 3.63Å; V1092-Y1125 HydrophobicContact CG2-CE1 4.35Å; V1092-L1126 HydrophobicContact CG2-CD2 4.17Å; V1092-Q1129 HydrophobicContact CG1-CG 4.13Å; V1092-Y1208 HydrophobicContact CG1-CD2 3.96Å; V1092-Y1208 HydrophobicContact CG1-CE2 3.86Å; V1092-Y1208 WeakPolarHBondContact O-CD2 3.39Å |
| 1093 | E | 93.5 | Very high | 93.8 | Very high | 93 Ų | 93 | 32 Ų | 32 | 44% | 0.435 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -67.5 | -15.4 | 179.5 | -70.5 | -177.2 | 176.8 | 0 | 0 | 113.6 | K1089 L1090 Y1208 | K1089-E1093 WeakPolarHBondContact O-CB 3.38Å; K1089-E1093 WeakPolarHBondContact O-CG 3.4Å; K1089-E1093 PolarHBondContact O-N 2.89Å; L1090-E1093 PolarHBondContact O-N 2.9Å; E1093-Y1208 HydrophobicContact CG-CE1 4.08Å; E1093-Y1208 HydrophobicContact CG-CE2 4.1Å; E1093-Y1208 WeakPolarHBondContact O-CB 3.23Å |
| 1094 | H | 94.2 | Very high | 93.8 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 16% | 0.157 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 13.1 | 177.2 | -65.8 | 78.5 | 0 | 0 | 0 | 113.8 | V1058 L1059 V1065 L1090 L1091 V1092 P1209 L1210 V1211 | V1058-H1094 HydrophobicContact CG1-CB 3.61Å; L1059-H1094 WeakPolarHBondContact CD2-NE2 3.22Å; V1065-H1094 HydrophobicContact CG1-CB 4.37Å; L1090-H1094 PolarHBondContact O-N 2.81Å; L1090-H1094 PolarHBondContact O-ND1 3.42Å; L1091-H1094 PolarHBondContact O-N 3.38Å; V1092-H1094 PolarHBondContact O-N 2.91Å; H1094-P1209 CarbonylContact C-O 3.45Å; H1094-L1210 WeakPolarHBondContact O-CA 3.44Å; H1094-V1211 HydrophobicContact CB-CB 4.47Å; H1094-V1211 HydrophobicContact CB-CG2 4.47Å; H1094-V1211 PolarHBondContact O-N 3.16Å |
| 1095 | G | 92 | Very high | 94 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | 22.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | N1066 L1091 V1092 L1144 | N1066-G1095 PolarHBondContact ND2-O 3.44Å; L1091-G1095 PolarHBondContact O-N 2.84Å; V1092-G1095 PolarHBondContact O-N 3.49Å; G1095-L1144 WeakPolarHBondContact O-CD1 3.08Å; G1095-L1144 WeakPolarHBondContact O-CD2 3.3Å |
| 1096 | A | 95 | Very high | 94 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -63.8 | 140 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | V1065 N1066 L1076 L1091 L1098 | V1065-A1096 HydrophobicContact CB-CB 4.42Å; V1065-A1096 HydrophobicContact CG2-CB 4.36Å; N1066-A1096 WeakPolarHBondContact OD1-CA 3.42Å; L1076-A1096 HydrophobicContact CB-CB 4.19Å; L1076-A1096 HydrophobicContact CD2-CB 3.92Å; L1091-A1096 HydrophobicContact CB-CB 3.98Å; L1091-A1096 WeakPolarHBondContact O-CB 3.2Å; L1091-A1096 PolarHBondContact O-N 2.97Å; A1096-L1098 PolarHBondContact O-N 3.4Å | ||
| 1097 | S | 94.1 | Very high | 93.9 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | trans | -78.7 | 115.9 | -179.8 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | N1066 H1099 A1100 S1203 | N1066-S1097 PolarHBondContact OD1-N 3.47Å; S1097-H1099 PolarHBondContact O-N 3.12Å; S1097-A1100 PolarHBondContact O-N 3.4Å; S1097-A1100 PolarHBondContact OG-N 3.43Å; S1097-S1203 PolarHBondContact OG-O 3.06Å | ||
| 1098 | L | 94.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19 | 177.9 | -60.3 | 168.9 | 0 | 0 | 0 | 113.3 | L1076 V1092 A1096 L1126 Q1129 H1130 L1133 | L1076-L1098 HydrophobicContact CD2-CD2 4.24Å; V1092-L1098 HydrophobicContact CG1-CD2 4.11Å; V1092-L1098 HydrophobicContact CG2-CD2 3.63Å; A1096-L1098 PolarHBondContact O-N 3.4Å; L1098-L1126 HydrophobicContact CD2-CD2 4.27Å; L1098-Q1129 HydrophobicContact CD1-CB 3.74Å; L1098-Q1129 HydrophobicContact CD2-CB 3.84Å; L1098-Q1129 HydrophobicContact CG-CB 4.48Å; L1098-H1130 PolarHBondContact O-NE2 3.33Å; L1098-L1133 HydrophobicContact CD1-CD1 4.5Å |
| 1099 | H | 93.5 | Very high | 93.8 | Very high | 36 Ų | 36 | 42.9 Ų | 42.9 | 17% | 0.167 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 27.6 | 179.8 | -53 | 99.5 | 0 | 0 | 0 | 112.1 | S1097 H1130 R1202 S1203 | S1097-H1099 PolarHBondContact O-N 3.12Å; H1099-H1130 AromaticContact CD2-CD2 3.96Å; H1099-H1130 AromaticContact CD2-NE2 3.71Å; H1099-H1130 AromaticContact CE1-CD2 3.72Å; H1099-H1130 AromaticContact NE2-CD2 3.5Å; H1099-H1130 AromaticContact NE2-NE2 3.75Å; H1099-R1202 HydrophobicContact CB-CB 4.45Å; H1099-R1202 PolarHBondContact ND1-O 2.95Å; H1099-S1203 VanDerWaalsContact O-CB 3.22Å; H1099-S1203 WeakPolarHBondContact O-CB 3.31Å |
| 1100 | A | 93.5 | Very high | 93.7 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 17% | 0.165 | 20% | 0.202 | C | C | . | . | trans | -57.7 | 151.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | T1074 S1097 T1108 P1109 | T1074-A1100 HydrophobicContact CG2-CB 4.24Å; S1097-A1100 PolarHBondContact O-N 3.4Å; S1097-A1100 PolarHBondContact OG-N 3.43Å; A1100-T1108 WeakPolarHBondContact O-CA 3.48Å; A1100-P1109 WeakPolarHBondContact O-CD 3.33Å | ||
| 1101 | R | 93.9 | Very high | 93.5 | Very high | 112 Ų | 112 | 44 Ų | 44 | 42% | 0.423 | 22% | 0.22 | S | C | . | . | trans | -131.7 | 139.8 | 177.5 | -68.7 | -175.9 | -178.7 | -77.1 | 5.5 | 109.8 | Q1106 E1107 T1108 E1186 | R1101-Q1106 WeakPolarHBondContact CD-O 3.44Å; R1101-Q1106 WeakPolarHBondContact CG-O 3.41Å; R1101-Q1106 PolarHBondContact NH1-O 3.11Å; R1101-E1107 WeakPolarHBondContact CA-O 3.34Å; R1101-T1108 HydrophobicContact CG-CG2 4.12Å; R1101-E1186 IonicContact CZ-OE1 2.76Å; R1101-E1186 IonicContact NE-OE1 2.71Å; R1101-E1186 PolarHBondContact NE-OE1 3.23Å; R1101-E1186 IonicContact NH2-OE1 3.17Å; R1101-E1186 PolarHBondContact NH2-OE1 2.87Å | ||
| 1102 | T | 94.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | trans | -64.4 | 154.2 | 169.5 | 54 | 0 | 0 | 0 | 0 | 112.4 | W1073 D1105 Q1106 E1107 | W1073-T1102 HydrophobicContact CD2-CG2 4.32Å; W1073-T1102 HydrophobicContact CG-CG2 4.16Å; T1102-D1105 WeakPolarHBondContact CB-OD1 3.42Å; T1102-D1105 PolarHBondContact OG1-OD1 2.94Å; T1102-Q1106 VanDerWaalsContact O-CA 3.23Å; T1102-Q1106 WeakPolarHBondContact O-CA 3.32Å; T1102-Q1106 PolarHBondContact O-N 3.44Å; T1102-Q1106 VanDerWaalsContact O-N 3.17Å; T1102-Q1106 PolarHBondContact OG1-N 3.41Å; T1102-E1107 PolarHBondContact N-O 2.97Å; T1102-E1107 PolarHBondContact OG1-N 3.05Å; T1102-E1107 PolarHBondContact OG1-O 3.29Å | ||
| 1103 | L | 92.6 | Very high | 93 | Very high | 129 Ų | 129 | 45.7 Ų | 45.7 | 68% | 0.675 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -28.7 | 176.8 | -63.9 | 173.8 | 0 | 0 | 0 | 112.8 | D1071 | D1071-L1103 WeakPolarHBondContact O-CB 3.43Å; D1071-L1103 PolarHBondContact O-N 3.28Å |
| 1104 | S | 90.3 | Very high | 92.1 | Very high | 72 Ų | 72 | 43.8 Ų | 43.8 | 50% | 0.503 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -46.6 | -177.2 | 39.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1105 | D | 92.3 | Very high | 90.6 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 40% | 0.401 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -135.7 | -5.5 | -165.4 | 31.2 | 22.6 | 0 | 0 | 0 | 113.5 | T1102 E1107 K1112 | T1102-D1105 WeakPolarHBondContact CB-OD1 3.42Å; T1102-D1105 PolarHBondContact OG1-OD1 2.94Å; D1105-E1107 HydrophobicContact CB-CG 4.22Å; D1105-E1107 PolarHBondContact O-N 3.44Å; D1105-K1112 IonicContact OD1-NZ 2.73Å; D1105-K1112 PolarHBondContact OD1-NZ 3.28Å; D1105-K1112 IonicContact OD2-NZ 3.17Å; D1105-K1112 PolarHBondContact OD2-NZ 3.47Å |
| 1106 | Q | 92.6 | Very high | 89 | Confident | 135 Ų | 135 | 50.8 Ų | 50.8 | 63% | 0.631 | 27% | 0.267 | S | S | * | . | trans | 63.4 | 18.7 | 179.5 | -55 | -174.1 | -12.9 | 0 | 0 | 114.3 | R1101 T1102 | R1101-Q1106 WeakPolarHBondContact CD-O 3.44Å; R1101-Q1106 WeakPolarHBondContact CG-O 3.41Å; R1101-Q1106 PolarHBondContact NH1-O 3.11Å; T1102-Q1106 VanDerWaalsContact O-CA 3.23Å; T1102-Q1106 WeakPolarHBondContact O-CA 3.32Å; T1102-Q1106 PolarHBondContact O-N 3.44Å; T1102-Q1106 VanDerWaalsContact O-N 3.17Å; T1102-Q1106 PolarHBondContact OG1-N 3.41Å | ||
| 1107 | E | 92.6 | Very high | 87.1 | Confident | 70 Ų | 70 | 57.3 Ų | 57.3 | 33% | 0.327 | 30% | 0.302 | S | S | . | . | trans | -80.5 | 144.1 | 179.3 | -72.1 | 175.1 | 177.2 | 0 | 0 | 110.9 | H1077 R1101 T1102 D1105 E1111 K1112 | H1077-E1107 PolarHBondContact NE2-O 2.97Å; R1101-E1107 WeakPolarHBondContact CA-O 3.34Å; T1102-E1107 PolarHBondContact N-O 2.97Å; T1102-E1107 PolarHBondContact OG1-N 3.05Å; T1102-E1107 PolarHBondContact OG1-O 3.29Å; D1105-E1107 HydrophobicContact CB-CG 4.22Å; D1105-E1107 PolarHBondContact O-N 3.44Å; E1107-E1111 HydrophobicContact CB-CB 3.96Å; E1107-E1111 HydrophobicContact CG-CB 4.2Å; E1107-K1112 HydrophobicContact CB-CD 4.31Å; E1107-K1112 WeakPolarHBondContact OE2-CE 3.28Å; E1107-K1112 IonicContact OE2-NZ 2.74Å; E1107-K1112 PolarHBondContact OE2-NZ 2.98Å | ||
| 1108 | T | 94.6 | Very high | 85.3 | Confident | 10 Ų | 10 | 66.7 Ų | 66.7 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | trans | -86.8 | 168.3 | 175.4 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | A1100 R1101 L1110 E1111 K1112 | A1100-T1108 WeakPolarHBondContact O-CA 3.48Å; R1101-T1108 HydrophobicContact CG-CG2 4.12Å; T1108-L1110 PolarHBondContact O-N 2.89Å; T1108-E1111 WeakPolarHBondContact CB-OE2 3.44Å; T1108-E1111 WeakPolarHBondContact CG2-OE2 3.48Å; T1108-E1111 PolarHBondContact N-OE2 3.08Å; T1108-E1111 PolarHBondContact O-N 3.31Å; T1108-E1111 PolarHBondContact OG1-OE2 3.3Å; T1108-K1112 PolarHBondContact O-N 3.42Å; T1108-K1112 VanDerWaalsContact O-N 3.14Å | ||
| 1109 | P | 93.7 | Very high | 83.4 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -34.6 | 177 | -26.9 | 35 | 0 | 0 | 0 | 114 | L1076 H1077 A1080 A1100 E1111 K1112 L1126 | L1076-P1109 HydrophobicContact CB-CB 4.45Å; L1076-P1109 HydrophobicContact CB-CG 4.27Å; L1076-P1109 HydrophobicContact CD2-CB 4.17Å; L1076-P1109 HydrophobicContact CD2-CG 4.03Å; L1076-P1109 HydrophobicContact CG-CB 3.84Å; L1076-P1109 HydrophobicContact CG-CG 4Å; H1077-P1109 WeakPolarHBondContact NE2-CD 3.44Å; A1080-P1109 HydrophobicContact CB-CB 4.37Å; A1080-P1109 WeakPolarHBondContact CB-O 3.19Å; A1100-P1109 WeakPolarHBondContact O-CD 3.33Å; P1109-E1111 VanDerWaalsContact C-N 3.35Å; P1109-K1112 PolarHBondContact O-N 2.94Å; P1109-L1126 HydrophobicContact CB-CD1 4.3Å |
| 1110 | L | 93.5 | Very high | 82.5 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 15% | 0.147 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -41.5 | 174.7 | 175.4 | 63.4 | 0 | 0 | 0 | 111.8 | T1108 K1112 C1113 E1123 L1126 Y1127 H1130 | T1108-L1110 PolarHBondContact O-N 2.89Å; L1110-K1112 PolarHBondContact O-N 3.47Å; L1110-C1113 WeakPolarHBondContact O-CB 3.35Å; L1110-C1113 PolarHBondContact O-N 3.05Å; L1110-C1113 VanDerWaalsContact O-N 3.15Å; L1110-E1123 HydrophobicContact CD1-CB 4.39Å; L1110-E1123 HydrophobicContact CD1-CG 3.67Å; L1110-E1123 WeakPolarHBondContact CD1-O 3.37Å; L1110-L1126 HydrophobicContact CB-CB 4.3Å; L1110-L1126 HydrophobicContact CD1-CB 3.92Å; L1110-Y1127 HydrophobicContact CD2-CD2 4.06Å; L1110-H1130 VanDerWaalsContact CD2-ND1 3.33Å; L1110-H1130 WeakPolarHBondContact CD2-ND1 3.16Å |
| 1111 | E | 92 | Very high | 82.2 | Confident | 103 Ų | 103 | 75.3 Ų | 75.3 | 48% | 0.481 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -15.4 | 179.4 | -68.2 | 159.7 | 132.3 | 0 | 0 | 112.2 | E1107 T1108 P1109 | E1107-E1111 HydrophobicContact CB-CB 3.96Å; E1107-E1111 HydrophobicContact CG-CB 4.2Å; T1108-E1111 WeakPolarHBondContact CB-OE2 3.44Å; T1108-E1111 WeakPolarHBondContact CG2-OE2 3.48Å; T1108-E1111 PolarHBondContact N-OE2 3.08Å; T1108-E1111 PolarHBondContact O-N 3.31Å; T1108-E1111 PolarHBondContact OG1-OE2 3.3Å; P1109-E1111 VanDerWaalsContact C-N 3.35Å |
| 1112 | K | 91 | Very high | 82 | Confident | 25 Ų | 25 | 70 Ų | 70 | 11% | 0.109 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -5.2 | 170 | -63.7 | -53.8 | -170.9 | -169.4 | 0 | 114.6 | W1073 A1080 S1081 D1105 E1107 T1108 P1109 L1110 | W1073-K1112 HydrophobicContact CH2-CD 3.91Å; W1073-K1112 HydrophobicContact CH2-CG 4.26Å; W1073-K1112 HydrophobicContact CZ2-CD 4.12Å; W1073-K1112 HydrophobicContact CZ3-CG 4.45Å; A1080-K1112 HydrophobicContact CB-CB 4.48Å; S1081-K1112 WeakPolarHBondContact CA-O 3.44Å; D1105-K1112 IonicContact OD1-NZ 2.73Å; D1105-K1112 PolarHBondContact OD1-NZ 3.28Å; D1105-K1112 IonicContact OD2-NZ 3.17Å; D1105-K1112 PolarHBondContact OD2-NZ 3.47Å; E1107-K1112 HydrophobicContact CB-CD 4.31Å; E1107-K1112 WeakPolarHBondContact OE2-CE 3.28Å; E1107-K1112 IonicContact OE2-NZ 2.74Å; E1107-K1112 PolarHBondContact OE2-NZ 2.98Å; T1108-K1112 PolarHBondContact O-N 3.42Å; T1108-K1112 VanDerWaalsContact O-N 3.14Å; P1109-K1112 PolarHBondContact O-N 2.94Å; L1110-K1112 PolarHBondContact O-N 3.47Å |
| 1113 | C | 90.2 | Very high | 81.9 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 7% | 0.068 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -66.7 | 131.6 | 168.3 | -72.4 | 0 | 0 | 0 | 0 | 110.1 | L1110 E1123 | L1110-C1113 WeakPolarHBondContact O-CB 3.35Å; L1110-C1113 PolarHBondContact O-N 3.05Å; L1110-C1113 VanDerWaalsContact O-N 3.15Å; C1113-E1123 HydrophobicContact CB-CB 4.03Å; C1113-E1123 HydrophobicContact CB-CG 4.38Å |
| 1114 | D | 74.3 | Confident | 81.8 | Confident | 53 Ų | 53 | 74.6 Ų | 74.6 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | trans | -79.9 | 135.2 | -179.4 | -179.1 | 78.8 | 0 | 0 | 0 | 112.5 | R673 G1116 | R673-D1114 WeakPolarHBondContact CD-OD2 3.47Å; R673-D1114 IonicContact CZ-OD2 2.66Å; R673-D1114 IonicContact NE-OD2 3.65Å; R673-D1114 IonicContact NH1-OD2 2.89Å; R673-D1114 PolarHBondContact NH1-OD2 3.39Å; D1114-G1116 PolarHBondContact O-N 3.3Å; D1114-G1116 VanDerWaalsContact O-N 3.14Å; D1114-G1116 VanDerWaalsContact OD2-CA 3.28Å; D1114-G1116 WeakPolarHBondContact OD2-CA 3.37Å; D1114-G1116 PolarHBondContact OD2-N 2.8Å | ||
| 1115 | Q | 63.8 | Low | 82 | Confident | 134 Ų | 134 | 72.3 Ų | 72.3 | 63% | 0.626 | 37% | 0.37 | S | S | * | . | trans | -84.8 | 21.8 | -172.9 | -62 | 171.3 | 6.8 | 0 | 0 | 112.9 | ||||
| 1116 | G | 57.3 | Low | 82 | Confident | 47 Ų | 47 | 68.9 Ų | 68.9 | 49% | 0.485 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -104.7 | 29.9 | -163.5 | 0 | 0 | 0 | 0 | 0 | 117 | D1114 | D1114-G1116 PolarHBondContact O-N 3.3Å; D1114-G1116 VanDerWaalsContact O-N 3.14Å; D1114-G1116 VanDerWaalsContact OD2-CA 3.28Å; D1114-G1116 WeakPolarHBondContact OD2-CA 3.37Å; D1114-G1116 PolarHBondContact OD2-N 2.8Å |
| 1117 | D | 56.1 | Low | 82 | Confident | 137 Ų | 137 | 68.6 Ų | 68.6 | 73% | 0.733 | 35% | 0.346 | S | S | * | . | S | Bend | trans | 65.1 | 167.9 | -178 | -70.5 | -47.7 | 0 | 0 | 0 | 115.7 | E1119 | D1117-E1119 PolarHBondContact O-N 2.89Š|
| 1118 | E | 54.7 | Low | 82 | Confident | 198 Ų | 198 | 70.6 Ų | 70.6 | 93% | 0.925 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 58.3 | -28.3 | -167.1 | -66.4 | -173 | -172.1 | 0 | 0 | 117.1 | ||
| 1119 | E | 55.2 | Low | 81.9 | Confident | 48 Ų | 48 | 70.3 Ų | 70.3 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | trans | -101.5 | 7.3 | -173.9 | -75.9 | 169.8 | -172.1 | 0 | 0 | 115.5 | R673 D1117 E1121 C1122 | R673-E1119 IonicContact CZ-OE1 3.13Å; R673-E1119 IonicContact CZ-OE2 2.71Å; R673-E1119 IonicContact NE-OE2 3.58Å; R673-E1119 IonicContact NH1-OE2 2.97Å; R673-E1119 PolarHBondContact NH1-OE2 3.37Å; R673-E1119 IonicContact NH2-OE1 2.71Å; R673-E1119 PolarHBondContact NH2-OE1 3.25Å; R673-E1119 IonicContact NH2-OE2 3.32Å; R673-E1119 PolarHBondContact NH2-OE2 3.46Å; D1117-E1119 PolarHBondContact O-N 2.89Å; E1119-E1121 PolarHBondContact O-N 2.92Å; E1119-C1122 PolarHBondContact O-N 3.47Å | ||
| 1120 | A | 74.2 | Confident | 81.7 | Confident | 58 Ų | 58 | 71.8 Ų | 71.8 | 48% | 0.479 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.9 | -19.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | C1122 E1123 E1124 | A1120-C1122 PolarHBondContact O-N 3.41Å; A1120-E1123 PolarHBondContact O-N 3.45Å; A1120-E1124 WeakPolarHBondContact O-CB 3.39Å; A1120-E1124 PolarHBondContact O-N 3.22Å |
| 1121 | E | 87 | Confident | 81.5 | Confident | 133 Ų | 133 | 75.7 Ų | 75.7 | 62% | 0.621 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -59.5 | -31.2 | 171.7 | -65.8 | -165.3 | -175.4 | 0 | 0 | 113.2 | V1085 E1119 Y1125 | V1085-E1121 HydrophobicContact CG2-CB 3.77Å; E1119-E1121 PolarHBondContact O-N 2.92Å; E1121-Y1125 WeakPolarHBondContact O-CB 3.45Å; E1121-Y1125 PolarHBondContact O-N 3.44Å |
| 1122 | C | 89.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -77.2 | -38.8 | 178.7 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | V1085 E1119 A1120 L1126 | V1085-C1122 HydrophobicContact CG2-CB 4.01Å; E1119-C1122 PolarHBondContact O-N 3.47Å; A1120-C1122 PolarHBondContact O-N 3.41Å; C1122-L1126 WeakPolarHBondContact O-CB 3.37Å; C1122-L1126 WeakPolarHBondContact O-CG 3.34Å; C1122-L1126 PolarHBondContact O-N 2.88Å |
| 1123 | E | 91.4 | Very high | 81.1 | Confident | 81 Ų | 81 | 73.1 Ų | 73.1 | 38% | 0.379 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.2 | -50.5 | 171.9 | -166.6 | -172.9 | 165.1 | 0 | 0 | 110.7 | L1110 C1113 A1120 Y1125 L1126 Y1127 | L1110-E1123 HydrophobicContact CD1-CB 4.39Å; L1110-E1123 HydrophobicContact CD1-CG 3.67Å; L1110-E1123 WeakPolarHBondContact CD1-O 3.37Å; C1113-E1123 HydrophobicContact CB-CB 4.03Å; C1113-E1123 HydrophobicContact CB-CG 4.38Å; A1120-E1123 PolarHBondContact O-N 3.45Å; E1123-Y1125 VanDerWaalsContact C-N 3.33Å; E1123-Y1125 PolarHBondContact O-N 3.34Å; E1123-L1126 PolarHBondContact O-N 3.29Å; E1123-Y1127 WeakPolarHBondContact O-CB 3.33Å; E1123-Y1127 PolarHBondContact O-N 2.99Å |
| 1124 | E | 91.1 | Very high | 80.7 | Confident | 148 Ų | 148 | 73 Ų | 73 | 69% | 0.692 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.9 | -42.1 | 177 | -175.7 | 174.6 | -170.9 | 0 | 0 | 111.6 | A1120 F1128 | A1120-E1124 WeakPolarHBondContact O-CB 3.39Å; A1120-E1124 PolarHBondContact O-N 3.22Å; E1124-F1128 VanDerWaalsContact O-CB 3.23Å; E1124-F1128 WeakPolarHBondContact O-CB 3.31Å; E1124-F1128 PolarHBondContact O-N 2.67Å |
| 1125 | Y | 93.9 | Very high | 81.1 | Confident | 25 Ų | 25 | 74 Ų | 74 | 10% | 0.098 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.5 | -51.7 | 176.2 | 175.9 | -101.9 | 0 | 0 | 0 | 112.1 | V1085 A1088 K1089 V1092 E1121 E1123 F1128 Q1129 | V1085-Y1125 HydrophobicContact CG1-CG 4.17Å; A1088-Y1125 HydrophobicContact CB-CD1 4.32Å; A1088-Y1125 HydrophobicContact CB-CE1 4.36Å; K1089-Y1125 HydrophobicContact CD-CE2 4.34Å; K1089-Y1125 HydrophobicContact CG-CD1 4.41Å; K1089-Y1125 HydrophobicContact CG-CD2 4.08Å; K1089-Y1125 HydrophobicContact CG-CE1 3.9Å; K1089-Y1125 HydrophobicContact CG-CE2 3.5Å; K1089-Y1125 VanDerWaalsContact CG-CZ 3.43Å; V1092-Y1125 HydrophobicContact CG2-CE1 4.35Å; E1121-Y1125 WeakPolarHBondContact O-CB 3.45Å; E1121-Y1125 PolarHBondContact O-N 3.44Å; E1123-Y1125 VanDerWaalsContact C-N 3.33Å; E1123-Y1125 PolarHBondContact O-N 3.34Å; Y1125-F1128 PolarHBondContact O-N 3.36Å; Y1125-Q1129 HydrophobicContact CD1-CG 4.48Å; Y1125-Q1129 HydrophobicContact CE1-CG 3.97Å; Y1125-Q1129 HydrophobicContact CE2-CG 4.1Å; Y1125-Q1129 WeakPolarHBondContact O-CG 3.38Å; Y1125-Q1129 PolarHBondContact O-N 3Å; Y1125-Q1129 PolarHBondContact OH-NE2 3.08Å |
| 1126 | L | 93.4 | Very high | 81.6 | Confident | 3 Ų | 3 | 69.4 Ų | 69.4 | 2% | 0.016 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.5 | -38.6 | -177.6 | -69.5 | 179.2 | 0 | 0 | 0 | 112.1 | L1076 A1080 V1092 L1098 P1109 L1110 C1122 E1123 F1128 Q1129 H1130 | L1076-L1126 HydrophobicContact CD1-CD2 4.2Å; A1080-L1126 HydrophobicContact CB-CD1 3.83Å; V1092-L1126 HydrophobicContact CG2-CD2 4.17Å; L1098-L1126 HydrophobicContact CD2-CD2 4.27Å; P1109-L1126 HydrophobicContact CB-CD1 4.3Å; L1110-L1126 HydrophobicContact CB-CB 4.3Å; L1110-L1126 HydrophobicContact CD1-CB 3.92Å; C1122-L1126 WeakPolarHBondContact O-CB 3.37Å; C1122-L1126 WeakPolarHBondContact O-CG 3.34Å; C1122-L1126 PolarHBondContact O-N 2.88Å; E1123-L1126 PolarHBondContact O-N 3.29Å; L1126-F1128 VanDerWaalsContact C-N 3.35Å; L1126-F1128 PolarHBondContact O-N 2.85Å; L1126-Q1129 PolarHBondContact O-N 3.32Å; L1126-Q1129 VanDerWaalsContact O-N 3.12Å; L1126-H1130 PolarHBondContact O-N 3.06Å |
| 1127 | Y | 92.3 | Very high | 82.6 | Confident | 129 Ų | 129 | 70.4 Ų | 70.4 | 51% | 0.506 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 172.4 | -175.6 | -93 | 0 | 0 | 0 | 111.6 | L1110 E1123 Q1129 H1130 E1131 | L1110-Y1127 HydrophobicContact CD2-CD2 4.06Å; E1123-Y1127 WeakPolarHBondContact O-CB 3.33Å; E1123-Y1127 PolarHBondContact O-N 2.99Å; Y1127-Q1129 VanDerWaalsContact C-N 3.32Å; Y1127-Q1129 PolarHBondContact O-N 2.87Å; Y1127-H1130 WeakPolarHBondContact O-CB 3.17Å; Y1127-H1130 PolarHBondContact O-N 3.3Å; Y1127-E1131 HydrophobicContact CD1-CG 4.24Å; Y1127-E1131 HydrophobicContact CE1-CG 3.77Å; Y1127-E1131 PolarHBondContact O-N 3.33Å |
| 1128 | F | 92.5 | Very high | 83.7 | Confident | 111 Ų | 111 | 66.9 Ų | 66.9 | 49% | 0.487 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 173.9 | 174.5 | -103.2 | 0 | 0 | 0 | 112.1 | E1124 Y1125 L1126 E1131 R1132 | E1124-F1128 VanDerWaalsContact O-CB 3.23Å; E1124-F1128 WeakPolarHBondContact O-CB 3.31Å; E1124-F1128 PolarHBondContact O-N 2.67Å; Y1125-F1128 PolarHBondContact O-N 3.36Å; L1126-F1128 VanDerWaalsContact C-N 3.35Å; L1126-F1128 PolarHBondContact O-N 2.85Å; F1128-E1131 PolarHBondContact O-N 2.9Å; F1128-R1132 WeakPolarHBondContact O-CB 3.44Å; F1128-R1132 PolarHBondContact O-N 3.17Å |
| 1129 | Q | 92.7 | Very high | 85.2 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.6 | -35.6 | 174.8 | -59.1 | -57.7 | -30.8 | 0 | 0 | 112.6 | V1092 L1098 Y1125 L1126 Y1127 R1132 L1133 | V1092-Q1129 HydrophobicContact CG1-CG 4.13Å; L1098-Q1129 HydrophobicContact CD1-CB 3.74Å; L1098-Q1129 HydrophobicContact CD2-CB 3.84Å; L1098-Q1129 HydrophobicContact CG-CB 4.48Å; Y1125-Q1129 HydrophobicContact CD1-CG 4.48Å; Y1125-Q1129 HydrophobicContact CE1-CG 3.97Å; Y1125-Q1129 HydrophobicContact CE2-CG 4.1Å; Y1125-Q1129 WeakPolarHBondContact O-CG 3.38Å; Y1125-Q1129 PolarHBondContact O-N 3Å; Y1125-Q1129 PolarHBondContact OH-NE2 3.08Å; L1126-Q1129 PolarHBondContact O-N 3.32Å; L1126-Q1129 VanDerWaalsContact O-N 3.12Å; Y1127-Q1129 VanDerWaalsContact C-N 3.32Å; Y1127-Q1129 PolarHBondContact O-N 2.87Å; Q1129-R1132 PolarHBondContact O-N 3.13Å; Q1129-L1133 PolarHBondContact O-N 2.9Å; Q1129-L1133 VanDerWaalsContact O-N 3.07Å |
| 1130 | H | 90.2 | Very high | 87 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 15% | 0.148 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.7 | -50.6 | 169.9 | -76.1 | 161.9 | 0 | 0 | 0 | 111.7 | L1098 H1099 L1110 L1126 Y1127 R1132 L1133 R1179 | L1098-H1130 PolarHBondContact O-NE2 3.33Å; H1099-H1130 AromaticContact CD2-CD2 3.96Å; H1099-H1130 AromaticContact CD2-NE2 3.71Å; H1099-H1130 AromaticContact CE1-CD2 3.72Å; H1099-H1130 AromaticContact NE2-CD2 3.5Å; H1099-H1130 AromaticContact NE2-NE2 3.75Å; L1110-H1130 VanDerWaalsContact CD2-ND1 3.33Å; L1110-H1130 WeakPolarHBondContact CD2-ND1 3.16Å; L1126-H1130 PolarHBondContact O-N 3.06Å; Y1127-H1130 WeakPolarHBondContact O-CB 3.17Å; Y1127-H1130 PolarHBondContact O-N 3.3Å; H1130-R1132 PolarHBondContact O-N 3.4Å; H1130-L1133 PolarHBondContact O-N 3.31Å; H1130-R1179 PolarHBondContact O-NH2 3.27Å |
| 1131 | E | 87.9 | Confident | 87.9 | Confident | 109 Ų | 109 | 58 Ų | 58 | 51% | 0.509 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.3 | -34.8 | 176.5 | -78 | -149.2 | 131.7 | 0 | 0 | 112.2 | Y1127 F1128 R1179 | Y1127-E1131 HydrophobicContact CD1-CG 4.24Å; Y1127-E1131 HydrophobicContact CE1-CG 3.77Å; Y1127-E1131 PolarHBondContact O-N 3.33Å; F1128-E1131 PolarHBondContact O-N 2.9Å; E1131-R1179 PolarHBondContact O-NH1 3.36Å; E1131-R1179 PolarHBondContact O-NH2 3.46Å |
| 1132 | R | 87.3 | Confident | 88.2 | Confident | 72 Ų | 72 | 55.1 Ų | 55.1 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -70.7 | -34 | -179.9 | -175.3 | -179 | 150.5 | 164 | -11.7 | 113.4 | F1128 Q1129 H1130 G1134 S1135 A1136 Y1208 | F1128-R1132 WeakPolarHBondContact O-CB 3.44Å; F1128-R1132 PolarHBondContact O-N 3.17Å; Q1129-R1132 PolarHBondContact O-N 3.13Å; H1130-R1132 PolarHBondContact O-N 3.4Å; R1132-G1134 PolarHBondContact O-N 2.87Å; R1132-G1134 VanDerWaalsContact O-N 3.16Å; R1132-S1135 PolarHBondContact O-N 3.47Å; R1132-A1136 HydrophobicContact CG-CB 3.42Å; R1132-A1136 VanDerWaalsContact CG-CB 3.42Å; R1132-A1136 PolarHBondContact O-N 3.24Å; R1132-Y1208 VanDerWaalsContact CZ-OH 3.31Å; R1132-Y1208 PolarHBondContact NH1-OH 2.82Å; R1132-Y1208 PolarHBondContact NH2-OH 3.45Å |
| 1133 | L | 88 | Confident | 88.4 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 109.8 | -173.6 | -170.4 | 74 | 0 | 0 | 0 | 112.6 | L1098 Q1129 H1130 S1135 V1141 R1179 I1205 S1206 | L1098-L1133 HydrophobicContact CD1-CD1 4.5Å; Q1129-L1133 PolarHBondContact O-N 2.9Å; Q1129-L1133 VanDerWaalsContact O-N 3.07Å; H1130-L1133 PolarHBondContact O-N 3.31Å; L1133-S1135 VanDerWaalsContact C-N 3.35Å; L1133-V1141 HydrophobicContact CD1-CG1 4.04Å; L1133-R1179 PolarHBondContact O-NE 2.94Å; L1133-R1179 PolarHBondContact O-NH2 3.24Å; L1133-I1205 HydrophobicContact CD1-CD1 3.77Å; L1133-I1205 HydrophobicContact CD1-CG1 4.39Å; L1133-I1205 HydrophobicContact CD2-CD1 3.8Å; L1133-I1205 HydrophobicContact CD2-CG1 4.14Å; L1133-I1205 HydrophobicContact CG-CD1 3.72Å; L1133-S1206 VanDerWaalsContact CD1-C 3.5Å |
| 1134 | G | 81.3 | Confident | 88.4 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 7% | 0.072 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | 5.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R1132 | R1132-G1134 PolarHBondContact O-N 2.87Å; R1132-G1134 VanDerWaalsContact O-N 3.16Å |
| 1135 | S | 82.9 | Confident | 88.3 | Confident | 75 Ų | 75 | 47.4 Ų | 47.4 | 52% | 0.524 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -33.4 | 168.5 | -77.9 | 0 | 0 | 0 | 0 | 113.8 | R1132 L1133 R1179 | R1132-S1135 PolarHBondContact O-N 3.47Å; L1133-S1135 VanDerWaalsContact C-N 3.35Å; S1135-R1179 WeakPolarHBondContact OG-CD 3.41Å; S1135-R1179 PolarHBondContact OG-NH1 3.24Å |
| 1136 | A | 75.5 | Confident | 88 | Confident | 37 Ų | 37 | 48.4 Ų | 48.4 | 31% | 0.306 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -77.1 | 168.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1132 S1138 G1139 | R1132-A1136 HydrophobicContact CG-CB 3.42Å; R1132-A1136 VanDerWaalsContact CG-CB 3.42Å; R1132-A1136 PolarHBondContact O-N 3.24Å; A1136-S1138 PolarHBondContact O-N 3.31Å; A1136-G1139 PolarHBondContact O-N 3.43Å |
| 1137 | A | 76.7 | Confident | 87.6 | Confident | 69 Ų | 69 | 49.7 Ų | 49.7 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | 51 | 30 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1140 | A1137-R1140 HydrophobicContact CB-CB 4.08Å; A1137-R1140 WeakPolarHBondContact O-CB 3.46Å; A1137-R1140 WeakPolarHBondContact O-CD 3.4Å; A1137-R1140 VanDerWaalsContact O-CG 3.25Å; A1137-R1140 WeakPolarHBondContact O-CG 3.44Å |
| 1138 | S | 80.7 | Confident | 87 | Confident | 62 Ų | 62 | 43.7 Ų | 43.7 | 43% | 0.434 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | 60.6 | 41.4 | -171.3 | -56.5 | 0 | 0 | 0 | 0 | 114.4 | A1136 R1140 T1175 Q1279 | A1136-S1138 PolarHBondContact O-N 3.31Å; S1138-R1140 VanDerWaalsContact C-N 3.29Å; S1138-R1140 PolarHBondContact O-N 3.03Å; S1138-T1175 WeakPolarHBondContact O-CG2 3.44Å; S1138-Q1279 PolarHBondContact OG-NE2 2.72Å |
| 1139 | G | 86.1 | Confident | 86 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | 80.9 | 4.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A1136 I1176 | A1136-G1139 PolarHBondContact O-N 3.43Å; G1139-I1176 PolarHBondContact O-N 2.85Å |
| 1140 | R | 91.4 | Very high | 85 | Confident | 113 Ų | 113 | 51.3 Ų | 51.3 | 43% | 0.426 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 131.7 | -176.9 | -73.6 | 176.4 | -177.1 | 173 | -1 | 112.5 | A1137 S1138 L1173 L1174 | A1137-R1140 HydrophobicContact CB-CB 4.08Å; A1137-R1140 WeakPolarHBondContact O-CB 3.46Å; A1137-R1140 WeakPolarHBondContact O-CD 3.4Å; A1137-R1140 VanDerWaalsContact O-CG 3.25Å; A1137-R1140 WeakPolarHBondContact O-CG 3.44Å; S1138-R1140 VanDerWaalsContact C-N 3.29Å; S1138-R1140 PolarHBondContact O-N 3.03Å; R1140-L1173 HydrophobicContact CB-CD1 4.14Å; R1140-L1173 HydrophobicContact CG-CD1 4.33Å; R1140-L1174 WeakPolarHBondContact CA-O 3.48Å |
| 1141 | V | 93.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 160.3 | 179.1 | -60 | 0 | 0 | 0 | 0 | 109.5 | L1133 L1174 I1176 I1205 S1206 | L1133-V1141 HydrophobicContact CD1-CG1 4.04Å; V1141-L1174 HydrophobicContact CG2-CB 3.88Å; V1141-L1174 HydrophobicContact CG2-CD1 4.46Å; V1141-L1174 PolarHBondContact N-O 3.43Å; V1141-L1174 PolarHBondContact O-N 3.32Å; V1141-I1176 HydrophobicContact CG1-CG1 4.04Å; V1141-I1176 HydrophobicContact CG2-CD1 3.82Å; V1141-I1176 HydrophobicContact CG2-CG1 3.83Å; V1141-I1205 HydrophobicContact CB-CB 4.4Å; V1141-I1205 HydrophobicContact CB-CD1 3.77Å; V1141-I1205 HydrophobicContact CG1-CD1 3.74Å; V1141-I1205 HydrophobicContact CG2-CB 4.27Å; V1141-I1205 HydrophobicContact CG2-CD1 3.71Å; V1141-I1205 HydrophobicContact CG2-CG2 4.35Å; V1141-S1206 CarbonylContact C-O 3.57Å; V1141-S1206 VanDerWaalsContact CA-O 3.31Å; V1141-S1206 WeakPolarHBondContact CA-O 3.43Å; V1141-S1206 WeakPolarHBondContact CB-O 3.41Å |
| 1142 | Y | 93.4 | Very high | 83.4 | Confident | 73 Ų | 73 | 47.2 Ų | 47.2 | 29% | 0.286 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 138.4 | 176.7 | -58.7 | -91.1 | 0 | 0 | 0 | 109.9 | E1172 L1173 I1205 S1206 Y1208 P1209 | Y1142-E1172 WeakPolarHBondContact CA-O 3.23Å; Y1142-L1173 HydrophobicContact CD1-CD1 4.21Å; Y1142-L1173 HydrophobicContact CE1-CB 4.48Å; Y1142-L1173 HydrophobicContact CE1-CD1 3.8Å; Y1142-I1205 CarbonylContact O-C 3.41Å; Y1142-I1205 WeakPolarHBondContact O-CA 3.47Å; Y1142-S1206 PolarHBondContact N-O 3.13Å; Y1142-S1206 PolarHBondContact O-N 2.94Å; Y1142-Y1208 VanDerWaalsContact CD2-C 3.4Å; Y1142-P1209 HydrophobicContact CD1-CB 4Å; Y1142-P1209 HydrophobicContact CD2-CB 4.43Å; Y1142-P1209 HydrophobicContact CE1-CB 4.27Å; Y1142-P1209 HydrophobicContact CG-CB 4.08Å |
| 1143 | A | 93.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 132.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1168 K1169 N1171 E1172 L1174 H1204 | A1143-L1168 HydrophobicContact CB-CB 4.08Å; A1143-L1168 HydrophobicContact CB-CD1 4.3Å; A1143-L1168 HydrophobicContact CB-CD2 4.32Å; A1143-L1168 HydrophobicContact CB-CG 4.48Å; A1143-K1169 WeakPolarHBondContact CB-O 3.45Å; A1143-N1171 WeakPolarHBondContact O-CA 3.44Å; A1143-N1171 PolarHBondContact O-N 3.39Å; A1143-E1172 HydrophobicContact CB-CB 4.39Å; A1143-E1172 PolarHBondContact N-O 3.47Å; A1143-L1174 HydrophobicContact CB-CD1 4.41Å; A1143-H1204 WeakPolarHBondContact CA-O 2.96Å |
| 1144 | L | 91.2 | Very high | 81.4 | Confident | 3 Ų | 3 | 50.6 Ų | 50.6 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | trans | -91.4 | -40.6 | -179.4 | -63 | -178.7 | 0 | 0 | 0 | 112.5 | G1095 H1204 L1210 | G1095-L1144 WeakPolarHBondContact O-CD1 3.08Å; G1095-L1144 WeakPolarHBondContact O-CD2 3.3Å; L1144-H1204 PolarHBondContact N-O 3.41Å; L1144-L1210 HydrophobicContact CD2-CB 4.32Å | ||
| 1145 | F | 89.8 | Confident | 80.7 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 28% | 0.281 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -119.8 | 148.6 | -171.8 | -52.5 | -59.6 | 0 | 0 | 0 | 111 | N1066 H1204 | N1066-F1145 HydrophobicContact CB-CE1 3.93Å; N1066-F1145 HydrophobicContact CB-CZ 3.85Å; F1145-H1204 HydrophobicContact CD2-CB 4.39Å; F1145-H1204 AromaticContact CD2-CG 3.99Å |
| 1146 | P | 87.6 | Confident | 80.2 | Confident | 46 Ų | 46 | 52.6 Ų | 52.6 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | trans | -71.2 | 136.4 | 175.7 | 29.8 | -32.7 | 0 | 0 | 0 | 110.9 | A1151 A1152 L1168 P1170 | P1146-A1151 HydrophobicContact CB-CB 3.82Å; P1146-A1151 WeakPolarHBondContact CB-O 3.5Å; P1146-A1152 HydrophobicContact CB-CB 4.32Å; P1146-L1168 CarbonylContact C-O 3.56Å; P1146-L1168 WeakPolarHBondContact CA-O 3.47Å; P1146-P1170 HydrophobicContact CB-CG 4.03Å; P1146-P1170 HydrophobicContact CG-CG 4.38Å | ||
| 1147 | R | 85.6 | Confident | 80.1 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 11% | 0.113 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -138.4 | 132.6 | 175.4 | -159.6 | 169.6 | 174 | 72.6 | 10.5 | 110.6 | D1158 L1161 E1165 P1167 L1168 | R1147-D1158 HydrophobicContact CG-CB 4.45Å; R1147-D1158 IonicContact NH1-OD1 3.59Å; R1147-D1158 PolarHBondContact NH1-OD1 3.24Å; R1147-L1161 HydrophobicContact CG-CD1 3.88Å; R1147-E1165 IonicContact CZ-OE2 3.88Å; R1147-E1165 IonicContact NE-OE2 2.63Å; R1147-E1165 PolarHBondContact NE-OE2 3.08Å; R1147-E1165 IonicContact NH2-OE1 2.73Å; R1147-E1165 PolarHBondContact NH2-OE1 3.49Å; R1147-E1165 IonicContact NH2-OE2 2.68Å; R1147-E1165 PolarHBondContact NH2-OE2 3.47Å; R1147-P1167 WeakPolarHBondContact O-CA 3.04Å; R1147-L1168 HydrophobicContact CB-CB 3.9Å; R1147-L1168 HydrophobicContact CB-CD1 4.32Å; R1147-L1168 HydrophobicContact CB-CG 4.15Å; R1147-L1168 PolarHBondContact N-O 3.19Å; R1147-L1168 PolarHBondContact O-N 3.3Å |
| 1148 | G | 78.7 | Confident | 80.3 | Confident | 3 Ų | 3 | 56.7 Ų | 56.7 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 97.8 | 154.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1150 A1151 A1152 D1158 | G1148-E1150 PolarHBondContact O-N 3.03Å; G1148-E1150 VanDerWaalsContact O-N 3.09Å; G1148-A1151 PolarHBondContact O-N 3.04Å; G1148-A1152 PolarHBondContact O-N 3.16Å; G1148-D1158 PolarHBondContact N-O 3.09Å |
| 1149 | I | 72.6 | Confident | 80 | Confident | 116 Ų | 116 | 54 Ų | 54 | 60% | 0.595 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -51.1 | -37.4 | -173.3 | -51.1 | -179.2 | 0 | 0 | 0 | 112.6 | G1153 A1159 | I1149-G1153 VanDerWaalsContact O-CA 3.3Å; I1149-G1153 WeakPolarHBondContact O-CA 3.37Å; I1149-G1153 PolarHBondContact O-N 3.31Å; I1149-A1159 HydrophobicContact CG1-CB 4.31Å; I1149-A1159 WeakPolarHBondContact CG1-O 3.45Å; I1149-A1159 PolarHBondContact N-O 3.35Å |
| 1150 | E | 71.1 | Confident | 79.6 | Confident | 161 Ų | 161 | 61 Ų | 61 | 75% | 0.752 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.7 | -28.1 | 179.6 | -63.2 | -169.1 | 178.3 | 0 | 0 | 114.4 | G1148 K1169 | G1148-E1150 PolarHBondContact O-N 3.03Å; G1148-E1150 VanDerWaalsContact O-N 3.09Å; E1150-K1169 IonicContact OE2-NZ 3.77Å; E1150-K1169 PolarHBondContact OE2-NZ 2.92Å; E1150-K1169 VanDerWaalsContact OE2-NZ 3.15Å |
| 1151 | A | 72.7 | Confident | 79.2 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -108.3 | -43.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1146 G1148 L1168 K1169 | P1146-A1151 HydrophobicContact CB-CB 3.82Å; P1146-A1151 WeakPolarHBondContact CB-O 3.5Å; G1148-A1151 PolarHBondContact O-N 3.04Å; A1151-L1168 WeakPolarHBondContact CB-O 3.03Å; A1151-K1169 HydrophobicContact CB-CG 3.94Å |
| 1152 | A | 72.5 | Confident | 78.8 | Confident | 22 Ų | 22 | 64.3 Ų | 64.3 | 18% | 0.182 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -87.7 | -13.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P1146 G1148 S1156 D1158 | P1146-A1152 HydrophobicContact CB-CB 4.32Å; G1148-A1152 PolarHBondContact O-N 3.16Å; A1152-S1156 VanDerWaalsContact O-CB 3.29Å; A1152-S1156 WeakPolarHBondContact O-CB 3.39Å; A1152-D1158 HydrophobicContact CB-CB 4.27Å |
| 1153 | G | 69.3 | Low | 78.2 | Confident | 24 Ų | 24 | 67 Ų | 67 | 25% | 0.247 | 39% | 0.389 | C | S | . | . | trans | 77.4 | 157.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1149 G1155 S1156 A1159 | I1149-G1153 VanDerWaalsContact O-CA 3.3Å; I1149-G1153 WeakPolarHBondContact O-CA 3.37Å; I1149-G1153 PolarHBondContact O-N 3.31Å; G1153-G1155 PolarHBondContact O-N 3.17Å; G1153-S1156 PolarHBondContact O-N 3.49Å; G1153-A1159 VanDerWaalsContact O-CB 3.28Å; G1153-A1159 WeakPolarHBondContact O-CB 3.26Å | ||
| 1154 | P | 63.6 | Low | 78 | Confident | 121 Ų | 121 | 71.5 Ų | 71.5 | 79% | 0.786 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 118.5 | -178.4 | 27.7 | -34.4 | 0 | 0 | 0 | 111.5 | ||
| 1155 | G | 66.7 | Low | 78 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 85% | 0.845 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 107.3 | -7.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | G1153 | G1153-G1155 PolarHBondContact O-N 3.17Š|
| 1156 | S | 71.5 | Confident | 78 | Confident | 42 Ų | 42 | 69.7 Ų | 69.7 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | trans | -68 | 149.7 | 161.2 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | A1152 G1153 D1158 A1159 | A1152-S1156 VanDerWaalsContact O-CB 3.29Å; A1152-S1156 WeakPolarHBondContact O-CB 3.39Å; G1153-S1156 PolarHBondContact O-N 3.49Å; S1156-D1158 VanDerWaalsContact C-N 3.3Å; S1156-D1158 PolarHBondContact OG-N 2.88Å; S1156-A1159 WeakPolarHBondContact O-CB 3.46Å; S1156-A1159 PolarHBondContact O-N 3.01Å | ||
| 1157 | I | 74.9 | Confident | 78.1 | Confident | 144 Ų | 144 | 69.9 Ų | 69.9 | 74% | 0.738 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -67 | -36.7 | 174.8 | -164.1 | 163.6 | 0 | 0 | 0 | 110.9 | A1159 H1160 | I1157-A1159 PolarHBondContact O-N 3.46Å; I1157-H1160 PolarHBondContact O-N 3.38Å |
| 1158 | D | 78.9 | Confident | 78.3 | Confident | 49 Ų | 49 | 68.5 Ų | 68.5 | 26% | 0.262 | 40% | 0.401 | S | S | . | . | G | 310 helix | trans | -74.6 | 1.3 | 175.5 | -58.1 | -71.6 | 0 | 0 | 0 | 113.7 | R1147 G1148 A1152 S1156 H1160 | R1147-D1158 HydrophobicContact CG-CB 4.45Å; R1147-D1158 IonicContact NH1-OD1 3.59Å; R1147-D1158 PolarHBondContact NH1-OD1 3.24Å; G1148-D1158 PolarHBondContact N-O 3.09Å; A1152-D1158 HydrophobicContact CB-CB 4.27Å; S1156-D1158 VanDerWaalsContact C-N 3.3Å; S1156-D1158 PolarHBondContact OG-N 2.88Å; D1158-H1160 VanDerWaalsContact C-N 3.26Å |
| 1159 | A | 75.8 | Confident | 78.8 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 4% | 0.041 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -71.6 | -23.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1149 G1153 S1156 I1157 | I1149-A1159 HydrophobicContact CG1-CB 4.31Å; I1149-A1159 WeakPolarHBondContact CG1-O 3.45Å; I1149-A1159 PolarHBondContact N-O 3.35Å; G1153-A1159 VanDerWaalsContact O-CB 3.28Å; G1153-A1159 WeakPolarHBondContact O-CB 3.26Å; S1156-A1159 WeakPolarHBondContact O-CB 3.46Å; S1156-A1159 PolarHBondContact O-N 3.01Å; I1157-A1159 PolarHBondContact O-N 3.46Å |
| 1160 | H | 77.8 | Confident | 79.6 | Confident | 151 Ų | 151 | 70.8 Ų | 70.8 | 70% | 0.699 | 41% | 0.413 | S | S | * | . | trans | -85.1 | 123.7 | 179.3 | -70.2 | -79.9 | 0 | 0 | 0 | 111.2 | I1157 D1158 | I1157-H1160 PolarHBondContact O-N 3.38Å; D1158-H1160 VanDerWaalsContact C-N 3.26Å | ||
| 1161 | L | 82.5 | Confident | 80.5 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 29% | 0.288 | 39% | 0.385 | S | S | . | . | trans | -120.3 | 143.2 | 171.8 | -92.1 | 62.3 | 0 | 0 | 0 | 109.8 | R1147 E1165 P1167 | R1147-L1161 HydrophobicContact CG-CD1 3.88Å; L1161-E1165 HydrophobicContact CB-CB 4.09Å; L1161-E1165 HydrophobicContact CD2-CB 3.96Å; L1161-E1165 HydrophobicContact CG-CB 3.7Å; L1161-P1167 HydrophobicContact CD2-CB 4.01Å | ||
| 1162 | E | 84.6 | Confident | 81.4 | Confident | 128 Ų | 128 | 64.6 Ų | 64.6 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | trans | -74 | 156.5 | 158.2 | -67.7 | -61 | 163.6 | 0 | 0 | 110.8 | D1164 E1165 | E1162-D1164 PolarHBondContact O-N 2.97Å; E1162-E1165 HydrophobicContact CB-CG 4.38Å; E1162-E1165 PolarHBondContact N-OE1 3.32Å; E1162-E1165 PolarHBondContact O-N 3.24Å | ||
| 1163 | P | 81 | Confident | 82.4 | Confident | 130 Ų | 130 | 66.9 Ų | 66.9 | 84% | 0.844 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -2.8 | -168.3 | 29.6 | -37.2 | 0 | 0 | 0 | 115.4 | ||
| 1164 | D | 88.8 | Confident | 83.5 | Confident | 93 Ų | 93 | 65.8 Ų | 65.8 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -1.7 | 173.8 | 49.4 | -7.5 | 0 | 0 | 0 | 113.5 | E1162 G1198 L1199 | E1162-D1164 PolarHBondContact O-N 2.97Å; D1164-G1198 CarbonylContact O-C 3.59Å; D1164-G1198 WeakPolarHBondContact O-CA 3.35Å; D1164-L1199 PolarHBondContact O-N 3.11Å |
| 1165 | E | 91.7 | Very high | 85 | Confident | 28 Ų | 28 | 62.7 Ų | 62.7 | 13% | 0.131 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 151.2 | 168.2 | -70.5 | -170.7 | -117.2 | 0 | 0 | 112.5 | R1147 L1161 E1162 W1187 | R1147-E1165 IonicContact CZ-OE2 3.88Å; R1147-E1165 IonicContact NE-OE2 2.63Å; R1147-E1165 PolarHBondContact NE-OE2 3.08Å; R1147-E1165 IonicContact NH2-OE1 2.73Å; R1147-E1165 PolarHBondContact NH2-OE1 3.49Å; R1147-E1165 IonicContact NH2-OE2 2.68Å; R1147-E1165 PolarHBondContact NH2-OE2 3.47Å; L1161-E1165 HydrophobicContact CB-CB 4.09Å; L1161-E1165 HydrophobicContact CD2-CB 3.96Å; L1161-E1165 HydrophobicContact CG-CB 3.7Å; E1162-E1165 HydrophobicContact CB-CG 4.38Å; E1162-E1165 PolarHBondContact N-OE1 3.32Å; E1162-E1165 PolarHBondContact O-N 3.24Å; E1165-W1187 HydrophobicContact CG-CH2 4.07Å; E1165-W1187 HydrophobicContact CG-CZ3 3.88Å; E1165-W1187 WeakPolarHBondContact OE2-CH2 3.33Å |
| 1166 | L | 90 | Very high | 86.3 | Confident | 2 Ų | 2 | 59.4 Ų | 59.4 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 126.9 | 175.5 | -166.9 | 69.1 | 0 | 0 | 0 | 110.2 | L1168 L1174 A1190 N1192 Q1196 L1199 V1200 | L1166-L1168 HydrophobicContact CD2-CD2 4.49Å; L1166-L1174 HydrophobicContact CD2-CD2 4.05Å; L1166-A1190 HydrophobicContact CD2-CB 3.88Å; L1166-N1192 HydrophobicContact CD1-CB 4.44Å; L1166-N1192 HydrophobicContact CD2-CB 4.2Å; L1166-Q1196 HydrophobicContact CD1-CB 3.91Å; L1166-L1199 PolarHBondContact N-O 2.97Å; L1166-V1200 HydrophobicContact CB-CG1 3.79Å; L1166-V1200 HydrophobicContact CD2-CG1 3.95Å; L1166-V1200 HydrophobicContact CG-CG1 4.47Å |
| 1167 | P | 90.8 | Very high | 87.3 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 32% | 0.318 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 142.9 | 171.7 | 28.5 | -34.1 | 0 | 0 | 0 | 110.2 | R1147 L1161 | R1147-P1167 WeakPolarHBondContact O-CA 3.04Å; L1161-P1167 HydrophobicContact CD2-CB 4.01Å |
| 1168 | L | 89.9 | Confident | 87.9 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | B | Isolated β-bridge | trans | -126 | 127.8 | -172.5 | -60.5 | -175.6 | 0 | 0 | 0 | 111.3 | A1143 P1146 R1147 A1151 L1166 L1174 V1200 H1204 | A1143-L1168 HydrophobicContact CB-CB 4.08Å; A1143-L1168 HydrophobicContact CB-CD1 4.3Å; A1143-L1168 HydrophobicContact CB-CD2 4.32Å; A1143-L1168 HydrophobicContact CB-CG 4.48Å; P1146-L1168 CarbonylContact C-O 3.56Å; P1146-L1168 WeakPolarHBondContact CA-O 3.47Å; R1147-L1168 HydrophobicContact CB-CB 3.9Å; R1147-L1168 HydrophobicContact CB-CD1 4.32Å; R1147-L1168 HydrophobicContact CB-CG 4.15Å; R1147-L1168 PolarHBondContact N-O 3.19Å; R1147-L1168 PolarHBondContact O-N 3.3Å; A1151-L1168 WeakPolarHBondContact CB-O 3.03Å; L1166-L1168 HydrophobicContact CD2-CD2 4.49Å; L1168-L1174 HydrophobicContact CD2-CD1 3.64Å; L1168-L1174 HydrophobicContact CD2-CD2 4.12Å; L1168-L1174 HydrophobicContact CD2-CG 4.46Å; L1168-V1200 HydrophobicContact CD1-CB 4.46Å; L1168-V1200 HydrophobicContact CD1-CG1 4.33Å; L1168-V1200 HydrophobicContact CD2-CG1 3.82Å; L1168-V1200 HydrophobicContact CG-CG1 4.44Å; L1168-H1204 HydrophobicContact CD1-CB 4.21Å |
| 1169 | K | 88.2 | Confident | 88.5 | Confident | 101 Ų | 101 | 57.7 Ų | 57.7 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | trans | -100.1 | 141.6 | 167.6 | -70.9 | 160.2 | -175.5 | 165.2 | 0 | 109.8 | A1143 E1150 A1151 N1171 E1172 | A1143-K1169 WeakPolarHBondContact CB-O 3.45Å; E1150-K1169 IonicContact OE2-NZ 3.77Å; E1150-K1169 PolarHBondContact OE2-NZ 2.92Å; E1150-K1169 VanDerWaalsContact OE2-NZ 3.15Å; A1151-K1169 HydrophobicContact CB-CG 3.94Å; K1169-N1171 PolarHBondContact O-N 3.05Å; K1169-E1172 HydrophobicContact CB-CB 4.28Å; K1169-E1172 PolarHBondContact N-OE2 2.94Å; K1169-E1172 WeakPolarHBondContact O-CB 3.46Å; K1169-E1172 PolarHBondContact O-N 3.49Å | ||
| 1170 | P | 88.7 | Confident | 89.1 | Confident | 67 Ų | 67 | 63.3 Ų | 63.3 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 135.3 | 178.4 | -26.2 | 35.7 | 0 | 0 | 0 | 111.8 | P1146 E1172 | P1146-P1170 HydrophobicContact CB-CG 4.03Å; P1146-P1170 HydrophobicContact CG-CG 4.38Å; P1170-E1172 PolarHBondContact O-N 2.87Å |
| 1171 | N | 90.6 | Very high | 89.5 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 16% | 0.155 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 14.4 | -171.7 | -68.8 | -27.7 | 0 | 0 | 0 | 116.5 | Y936 A1143 K1169 L1173 P1209 L1210 | Y936-N1171 WeakPolarHBondContact OH-CB 2.96Å; Y936-N1171 PolarHBondContact OH-ND2 3.28Å; A1143-N1171 WeakPolarHBondContact O-CA 3.44Å; A1143-N1171 PolarHBondContact O-N 3.39Å; K1169-N1171 PolarHBondContact O-N 3.05Å; N1171-L1173 PolarHBondContact O-N 2.98Å; N1171-P1209 WeakPolarHBondContact OD1-CA 3.45Å; N1171-L1210 PolarHBondContact ND2-O 3.11Å; N1171-L1210 WeakPolarHBondContact OD1-CB 3.3Å; N1171-L1210 PolarHBondContact OD1-N 2.86Å |
| 1172 | E | 92.6 | Very high | 89.5 | Confident | 33 Ų | 33 | 60.6 Ų | 60.6 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | trans | -62.1 | 132 | 167.7 | -174.6 | 170.8 | -179.1 | 0 | 0 | 110.8 | Y1142 A1143 K1169 P1170 L1174 N1192 | Y1142-E1172 WeakPolarHBondContact CA-O 3.23Å; A1143-E1172 HydrophobicContact CB-CB 4.39Å; A1143-E1172 PolarHBondContact N-O 3.47Å; K1169-E1172 HydrophobicContact CB-CB 4.28Å; K1169-E1172 PolarHBondContact N-OE2 2.94Å; K1169-E1172 WeakPolarHBondContact O-CB 3.46Å; K1169-E1172 PolarHBondContact O-N 3.49Å; P1170-E1172 PolarHBondContact O-N 2.87Å; E1172-L1174 HydrophobicContact CG-CD2 4.08Å; E1172-N1192 WeakPolarHBondContact OE1-CB 3.43Å | ||
| 1173 | L | 92.3 | Very high | 89.4 | Confident | 71 Ų | 71 | 58 Ų | 58 | 37% | 0.372 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 116 | 177.8 | 179.4 | 68.2 | 0 | 0 | 0 | 110 | R1140 Y1142 N1171 | R1140-L1173 HydrophobicContact CB-CD1 4.14Å; R1140-L1173 HydrophobicContact CG-CD1 4.33Å; Y1142-L1173 HydrophobicContact CD1-CD1 4.21Å; Y1142-L1173 HydrophobicContact CE1-CB 4.48Å; Y1142-L1173 HydrophobicContact CE1-CD1 3.8Å; N1171-L1173 PolarHBondContact O-N 2.98Å |
| 1174 | L | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 159.4 | 177.7 | -50.5 | 173.5 | 0 | 0 | 0 | 110.7 | R1140 V1141 A1143 L1166 L1168 E1172 A1190 N1192 V1200 I1205 | R1140-L1174 WeakPolarHBondContact CA-O 3.48Å; V1141-L1174 HydrophobicContact CG2-CB 3.88Å; V1141-L1174 HydrophobicContact CG2-CD1 4.46Å; V1141-L1174 PolarHBondContact N-O 3.43Å; V1141-L1174 PolarHBondContact O-N 3.32Å; A1143-L1174 HydrophobicContact CB-CD1 4.41Å; L1166-L1174 HydrophobicContact CD2-CD2 4.05Å; L1168-L1174 HydrophobicContact CD2-CD1 3.64Å; L1168-L1174 HydrophobicContact CD2-CD2 4.12Å; L1168-L1174 HydrophobicContact CD2-CG 4.46Å; E1172-L1174 HydrophobicContact CG-CD2 4.08Å; L1174-A1190 HydrophobicContact CB-CB 4.41Å; L1174-A1190 HydrophobicContact CD1-CB 4.4Å; L1174-N1192 HydrophobicContact CD2-CB 3.99Å; L1174-V1200 HydrophobicContact CD1-CG1 4.32Å; L1174-I1205 HydrophobicContact CD1-CG2 4.1Å |
| 1175 | T | 94.4 | Very high | 89.5 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 34% | 0.344 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.1 | 168.7 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | S1138 V1177 A1190 E1191 | S1138-T1175 WeakPolarHBondContact O-CG2 3.44Å; T1175-V1177 PolarHBondContact O-N 3.45Å; T1175-A1190 CarbonylContact O-C 3.58Å; T1175-A1190 WeakPolarHBondContact O-CA 3.48Å; T1175-E1191 PolarHBondContact N-O 2.91Å; T1175-E1191 PolarHBondContact O-N 3.19Å |
| 1176 | I | 94.2 | Very high | 89.3 | Confident | 13 Ų | 13 | 61 Ų | 61 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 124.1 | 174.8 | -57.9 | -53.2 | 0 | 0 | 0 | 109.8 | G1139 V1141 D1178 R1179 M1188 A1190 V1200 I1205 | G1139-I1176 PolarHBondContact O-N 2.85Å; V1141-I1176 HydrophobicContact CG1-CG1 4.04Å; V1141-I1176 HydrophobicContact CG2-CD1 3.82Å; V1141-I1176 HydrophobicContact CG2-CG1 3.83Å; I1176-D1178 WeakPolarHBondContact CG2-O 3.44Å; I1176-R1179 HydrophobicContact CG2-CG 3.84Å; I1176-M1188 HydrophobicContact CD1-CB 4.06Å; I1176-M1188 HydrophobicContact CD1-CE 4.21Å; I1176-M1188 HydrophobicContact CD1-SD 4.2Å; I1176-M1188 HydrophobicContact CG1-SD 4.3Å; I1176-M1188 HydrophobicContact CG2-CB 4.18Å; I1176-M1188 HydrophobicContact CG2-SD 4.37Å; I1176-A1190 HydrophobicContact CD1-CB 3.89Å; I1176-V1200 HydrophobicContact CD1-CG2 4.18Å; I1176-I1205 HydrophobicContact CD1-CD1 4.38Å |
| 1177 | V | 91.2 | Very high | 89.4 | Confident | 61 Ų | 61 | 64 Ų | 64 | 37% | 0.37 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | -40.4 | 179.8 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | T1175 L1189 E1191 | T1175-V1177 PolarHBondContact O-N 3.45Å; V1177-L1189 HydrophobicContact CB-CD2 4.22Å; V1177-L1189 HydrophobicContact CB-CG 4.23Å; V1177-L1189 HydrophobicContact CG1-CD2 4.14Å; V1177-L1189 PolarHBondContact N-O 2.88Å; V1177-E1191 HydrophobicContact CG2-CB 3.79Å |
| 1178 | D | 89.3 | Confident | 89.5 | Confident | 72 Ų | 72 | 61.8 Ų | 61.8 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 134.6 | 172.1 | -165.4 | -14 | 0 | 0 | 0 | 109.6 | I1176 E1180 M1188 L1189 | I1176-D1178 WeakPolarHBondContact CG2-O 3.44Å; D1178-E1180 PolarHBondContact OD1-N 3.21Å; D1178-M1188 WeakPolarHBondContact O-CA 3.43Å; D1178-M1188 WeakPolarHBondContact O-CB 3.5Å; D1178-L1189 HydrophobicContact CB-CB 3.92Å; D1178-L1189 HydrophobicContact CB-CD2 4.48Å; D1178-L1189 PolarHBondContact N-O 3.48Å; D1178-L1189 PolarHBondContact O-N 3.15Å |
| 1179 | R | 90.1 | Very high | 89.7 | Confident | 66 Ų | 66 | 64.1 Ų | 64.1 | 25% | 0.249 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -88.6 | -22.7 | -179.9 | -65 | -175.3 | 70.4 | -170.7 | -0.2 | 112.8 | H1130 E1131 L1133 S1135 I1176 R1202 | H1130-R1179 PolarHBondContact O-NH2 3.27Å; E1131-R1179 PolarHBondContact O-NH1 3.36Å; E1131-R1179 PolarHBondContact O-NH2 3.46Å; L1133-R1179 PolarHBondContact O-NE 2.94Å; L1133-R1179 PolarHBondContact O-NH2 3.24Å; S1135-R1179 WeakPolarHBondContact OG-CD 3.41Å; S1135-R1179 PolarHBondContact OG-NH1 3.24Å; I1176-R1179 HydrophobicContact CG2-CG 3.84Å; R1179-R1202 PolarHBondContact O-NH2 3.44Å |
| 1180 | E | 88 | Confident | 90 | Very high | 123 Ų | 123 | 59.3 Ų | 59.3 | 58% | 0.575 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -138.7 | 68.7 | -174.1 | -69.9 | -166.7 | 165.1 | 0 | 0 | 111.8 | D1178 R1202 | D1178-E1180 PolarHBondContact OD1-N 3.21Å; E1180-R1202 IonicContact OE1-CZ 2.92Å; E1180-R1202 IonicContact OE1-NH1 3.84Å; E1180-R1202 IonicContact OE1-NH2 2.73Å; E1180-R1202 PolarHBondContact OE1-NH2 3.11Å |
| 1181 | P | 86.7 | Confident | 90.3 | Very high | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.084 | 32% | 0.319 | C | S | . | . | trans | -52.1 | 138.5 | 171.4 | 20.8 | -31.3 | 0 | 0 | 0 | 111.1 | G1183 E1184 W1187 L1199 | P1181-G1183 PolarHBondContact O-N 3.47Å; P1181-E1184 HydrophobicContact CG-CB 4.12Å; P1181-E1184 PolarHBondContact O-N 2.85Å; P1181-W1187 WeakPolarHBondContact CD-O 3.3Å; P1181-W1187 HydrophobicContact CG-CB 4.34Å; P1181-L1199 HydrophobicContact CB-CD2 4.18Å; P1181-L1199 HydrophobicContact CG-CD2 4.01Å | ||
| 1182 | P | 83.3 | Confident | 90.3 | Very high | 136 Ų | 136 | 58 Ų | 58 | 88% | 0.883 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 85.8 | -160.1 | 28.2 | -36.9 | 0 | 0 | 0 | 113.7 | ||
| 1183 | G | 82.3 | Confident | 90.1 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 76% | 0.763 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 135.6 | -12.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1181 | P1181-G1183 PolarHBondContact O-N 3.47Š|
| 1184 | E | 85.8 | Confident | 89.9 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 39% | 0.388 | 36% | 0.357 | S | S | . | . | trans | -126.4 | 68.7 | -161.3 | -72.3 | 166 | -173.1 | 0 | 0 | 111 | P1181 E1186 W1187 L1199 | P1181-E1184 HydrophobicContact CG-CB 4.12Å; P1181-E1184 PolarHBondContact O-N 2.85Å; E1184-E1186 PolarHBondContact O-N 3.46Å; E1184-E1186 VanDerWaalsContact O-N 3.13Å; E1184-W1187 HydrophobicContact CB-CB 4.12Å; E1184-W1187 HydrophobicContact CB-CG 4.34Å; E1184-W1187 PolarHBondContact O-N 3.38Å; E1184-L1199 WeakPolarHBondContact OE2-CD1 3.44Å | ||
| 1185 | I | 85.2 | Confident | 89.7 | Confident | 122 Ų | 122 | 66.9 Ų | 66.9 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -25.5 | -172.4 | -52.6 | 174.2 | 0 | 0 | 0 | 112.6 | R1202 | I1185-R1202 VanDerWaalsContact O-CD 3.23Å; I1185-R1202 WeakPolarHBondContact O-CD 3.47Å; I1185-R1202 PolarHBondContact O-NE 3.24Å; I1185-R1202 PolarHBondContact O-NH1 3.05Å |
| 1186 | E | 88.4 | Confident | 89.5 | Confident | 109 Ų | 109 | 68.9 Ų | 68.9 | 51% | 0.509 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -2.4 | 178.8 | -59.1 | -165.3 | 125 | 0 | 0 | 114 | R1101 E1184 R1202 | R1101-E1186 IonicContact CZ-OE1 2.76Å; R1101-E1186 IonicContact NE-OE1 2.71Å; R1101-E1186 PolarHBondContact NE-OE1 3.23Å; R1101-E1186 IonicContact NH2-OE1 3.17Å; R1101-E1186 PolarHBondContact NH2-OE1 2.87Å; E1184-E1186 PolarHBondContact O-N 3.46Å; E1184-E1186 VanDerWaalsContact O-N 3.13Å; E1186-R1202 WeakPolarHBondContact O-CB 3.42Å; E1186-R1202 WeakPolarHBondContact O-CG 3.49Å; E1186-R1202 PolarHBondContact O-N 2.87Å |
| 1187 | W | 92.6 | Very high | 89.4 | Confident | 66 Ų | 66 | 75.5 Ų | 75.5 | 25% | 0.25 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 165.5 | -179.3 | -60.9 | 83.5 | 0 | 0 | 0 | 111.4 | E1165 P1181 E1184 L1199 V1200 P1201 | E1165-W1187 HydrophobicContact CG-CH2 4.07Å; E1165-W1187 HydrophobicContact CG-CZ3 3.88Å; E1165-W1187 WeakPolarHBondContact OE2-CH2 3.33Å; P1181-W1187 WeakPolarHBondContact CD-O 3.3Å; P1181-W1187 HydrophobicContact CG-CB 4.34Å; E1184-W1187 HydrophobicContact CB-CB 4.12Å; E1184-W1187 HydrophobicContact CB-CG 4.34Å; E1184-W1187 PolarHBondContact O-N 3.38Å; W1187-L1199 HydrophobicContact CB-CD2 4.37Å; W1187-L1199 HydrophobicContact CD2-CB 4.45Å; W1187-L1199 HydrophobicContact CE3-CB 3.75Å; W1187-L1199 HydrophobicContact CZ3-CB 4.29Å; W1187-V1200 CarbonylContact C-O 3.53Å; W1187-V1200 WeakPolarHBondContact CA-O 2.94Å; W1187-V1200 VanDerWaalsContact CE3-C 3.46Å; W1187-P1201 HydrophobicContact CE3-CG 4.1Å; W1187-P1201 HydrophobicContact CH2-CG 4Å; W1187-P1201 HydrophobicContact CZ3-CG 3.68Å |
| 1188 | M | 93 | Very high | 89.5 | Confident | 2 Ų | 2 | 72.8 Ų | 72.8 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 150.3 | 169.9 | -65.6 | 168.8 | -66.4 | 0 | 0 | 109 | I1176 D1178 L1199 V1200 R1202 I1205 | I1176-M1188 HydrophobicContact CD1-CB 4.06Å; I1176-M1188 HydrophobicContact CD1-CE 4.21Å; I1176-M1188 HydrophobicContact CD1-SD 4.2Å; I1176-M1188 HydrophobicContact CG1-SD 4.3Å; I1176-M1188 HydrophobicContact CG2-CB 4.18Å; I1176-M1188 HydrophobicContact CG2-SD 4.37Å; D1178-M1188 WeakPolarHBondContact O-CA 3.43Å; D1178-M1188 WeakPolarHBondContact O-CB 3.5Å; M1188-L1199 CarbonylContact O-C 3.58Å; M1188-L1199 WeakPolarHBondContact O-CA 3.33Å; M1188-V1200 HydrophobicContact CB-CG2 4.27Å; M1188-V1200 HydrophobicContact CE-CG2 4.34Å; M1188-V1200 PolarHBondContact N-O 2.79Å; M1188-V1200 PolarHBondContact O-N 2.98Å; M1188-R1202 HydrophobicContact CE-CB 4.16Å; M1188-R1202 HydrophobicContact CE-CG 3.57Å; M1188-R1202 HydrophobicContact CG-CG 3.89Å; M1188-R1202 HydrophobicContact SD-CG 3.9Å; M1188-I1205 HydrophobicContact CE-CD1 3.23Å; M1188-I1205 HydrophobicContact CE-CG1 3.61Å; M1188-I1205 HydrophobicContact SD-CD1 4.16Å |
| 1189 | L | 93 | Very high | 89.7 | Confident | 49 Ų | 49 | 70.3 Ų | 70.3 | 26% | 0.257 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 115.7 | 170.1 | -177.4 | 66.3 | 0 | 0 | 0 | 108.7 | V1177 D1178 R1197 | V1177-L1189 HydrophobicContact CB-CD2 4.22Å; V1177-L1189 HydrophobicContact CB-CG 4.23Å; V1177-L1189 HydrophobicContact CG1-CD2 4.14Å; V1177-L1189 PolarHBondContact N-O 2.88Å; D1178-L1189 HydrophobicContact CB-CB 3.92Å; D1178-L1189 HydrophobicContact CB-CD2 4.48Å; D1178-L1189 PolarHBondContact N-O 3.48Å; D1178-L1189 PolarHBondContact O-N 3.15Å; L1189-R1197 HydrophobicContact CD1-CB 4.46Å |
| 1190 | A | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 157.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L1166 L1174 T1175 I1176 R1197 G1198 V1200 | L1166-A1190 HydrophobicContact CD2-CB 3.88Å; L1174-A1190 HydrophobicContact CB-CB 4.41Å; L1174-A1190 HydrophobicContact CD1-CB 4.4Å; T1175-A1190 CarbonylContact O-C 3.58Å; T1175-A1190 WeakPolarHBondContact O-CA 3.48Å; I1176-A1190 HydrophobicContact CD1-CB 3.89Å; A1190-R1197 VanDerWaalsContact O-CA 3.26Å; A1190-R1197 WeakPolarHBondContact O-CA 3.34Å; A1190-G1198 PolarHBondContact N-O 2.88Å; A1190-G1198 PolarHBondContact O-N 3.12Å; A1190-G1198 VanDerWaalsContact O-N 3.13Å; A1190-V1200 HydrophobicContact CB-CB 4.41Å; A1190-V1200 HydrophobicContact CB-CG1 3.78Å; A1190-V1200 HydrophobicContact CB-CG2 3.68Å |
| 1191 | E | 94 | Very high | 90.1 | Very high | 57 Ų | 57 | 61.9 Ų | 61.9 | 27% | 0.266 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.9 | 168.3 | -170.4 | 171 | 154.7 | 0 | 0 | 108.8 | T1175 V1177 Q1196 R1197 | T1175-E1191 PolarHBondContact N-O 2.91Å; T1175-E1191 PolarHBondContact O-N 3.19Å; V1177-E1191 HydrophobicContact CG2-CB 3.79Å; E1191-Q1196 VanDerWaalsContact CA-O 3.3Å; E1191-Q1196 WeakPolarHBondContact CA-O 3.49Å; E1191-R1197 HydrophobicContact CB-CG 3.94Å; E1191-R1197 HydrophobicContact CG-CG 3.88Å; E1191-R1197 IonicContact OE2-CZ 2.71Å; E1191-R1197 IonicContact OE2-NE 2.91Å; E1191-R1197 PolarHBondContact OE2-NE 2.91Å; E1191-R1197 IonicContact OE2-NH2 3.01Å; E1191-R1197 PolarHBondContact OE2-NH2 3.4Å |
| 1192 | N | 92.2 | Very high | 90.3 | Very high | 13 Ų | 13 | 63.1 Ų | 63.1 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | trans | -85.3 | 179.2 | 177.2 | 78.8 | -9.6 | 0 | 0 | 0 | 112.3 | L1166 E1172 L1174 E1194 G1195 Q1196 | L1166-N1192 HydrophobicContact CD1-CB 4.44Å; L1166-N1192 HydrophobicContact CD2-CB 4.2Å; E1172-N1192 WeakPolarHBondContact OE1-CB 3.43Å; L1174-N1192 HydrophobicContact CD2-CB 3.99Å; N1192-E1194 PolarHBondContact O-N 2.85Å; N1192-E1194 VanDerWaalsContact O-N 3.14Å; N1192-E1194 WeakPolarHBondContact OD1-CA 3.38Å; N1192-E1194 WeakPolarHBondContact OD1-CB 3.43Å; N1192-E1194 PolarHBondContact OD1-N 3.04Å; N1192-G1195 PolarHBondContact O-N 3.04Å; N1192-G1195 PolarHBondContact OD1-N 2.94Å; N1192-Q1196 PolarHBondContact N-O 2.85Å; N1192-Q1196 WeakPolarHBondContact OD1-CB 3.25Å; N1192-Q1196 PolarHBondContact OD1-N 3.1Å; N1192-Q1196 PolarHBondContact OD1-O 3.5Å | ||
| 1193 | S | 88.3 | Confident | 90.7 | Very high | 108 Ų | 108 | 58.5 Ų | 58.5 | 76% | 0.755 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16 | 179.8 | 69.7 | 0 | 0 | 0 | 0 | 115 | ||
| 1194 | E | 88.1 | Confident | 91.1 | Very high | 140 Ų | 140 | 56.3 Ų | 56.3 | 65% | 0.654 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -5.5 | 176.6 | -54.9 | -176.7 | 166.6 | 0 | 0 | 113 | N1192 Q1196 | N1192-E1194 PolarHBondContact O-N 2.85Å; N1192-E1194 VanDerWaalsContact O-N 3.14Å; N1192-E1194 WeakPolarHBondContact OD1-CA 3.38Å; N1192-E1194 WeakPolarHBondContact OD1-CB 3.43Å; N1192-E1194 PolarHBondContact OD1-N 3.04Å; E1194-Q1196 VanDerWaalsContact C-N 3.31Å; E1194-Q1196 HydrophobicContact CB-CG 4.25Å; E1194-Q1196 PolarHBondContact OE2-NE2 3.27Å |
| 1195 | G | 87.7 | Confident | 91.5 | Very high | 41 Ų | 41 | 52.4 Ų | 52.4 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 79.3 | 9.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N1192 | N1192-G1195 PolarHBondContact O-N 3.04Å; N1192-G1195 PolarHBondContact OD1-N 2.94Å |
| 1196 | Q | 90.7 | Very high | 91.8 | Very high | 99 Ų | 99 | 46.6 Ų | 46.6 | 46% | 0.463 | 24% | 0.238 | S | C | . | . | trans | -70.2 | 138.3 | 168.8 | -57 | -165.4 | 43.4 | 0 | 0 | 109.2 | L1166 E1191 N1192 E1194 | L1166-Q1196 HydrophobicContact CD1-CB 3.91Å; E1191-Q1196 VanDerWaalsContact CA-O 3.3Å; E1191-Q1196 WeakPolarHBondContact CA-O 3.49Å; N1192-Q1196 PolarHBondContact N-O 2.85Å; N1192-Q1196 WeakPolarHBondContact OD1-CB 3.25Å; N1192-Q1196 PolarHBondContact OD1-N 3.1Å; N1192-Q1196 PolarHBondContact OD1-O 3.5Å; E1194-Q1196 VanDerWaalsContact C-N 3.31Å; E1194-Q1196 HydrophobicContact CB-CG 4.25Å; E1194-Q1196 PolarHBondContact OE2-NE2 3.27Å | ||
| 1197 | R | 92.8 | Very high | 91.9 | Very high | 152 Ų | 152 | 42.2 Ų | 42.2 | 57% | 0.574 | 22% | 0.219 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136 | 177.8 | -70.8 | -176.6 | 176.3 | -170.8 | -3.6 | 111 | L1189 A1190 E1191 | L1189-R1197 HydrophobicContact CD1-CB 4.46Å; A1190-R1197 VanDerWaalsContact O-CA 3.26Å; A1190-R1197 WeakPolarHBondContact O-CA 3.34Å; E1191-R1197 HydrophobicContact CB-CG 3.94Å; E1191-R1197 HydrophobicContact CG-CG 3.88Å; E1191-R1197 IonicContact OE2-CZ 2.71Å; E1191-R1197 IonicContact OE2-NE 2.91Å; E1191-R1197 PolarHBondContact OE2-NE 2.91Å; E1191-R1197 IonicContact OE2-NH2 3.01Å; E1191-R1197 PolarHBondContact OE2-NH2 3.4Å |
| 1198 | G | 92.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 41 Ų | 41 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 172 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1164 A1190 | D1164-G1198 CarbonylContact O-C 3.59Å; D1164-G1198 WeakPolarHBondContact O-CA 3.35Å; A1190-G1198 PolarHBondContact N-O 2.88Å; A1190-G1198 PolarHBondContact O-N 3.12Å; A1190-G1198 VanDerWaalsContact O-N 3.13Å |
| 1199 | L | 93.6 | Very high | 91.7 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 11% | 0.11 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 138.8 | 177.3 | -64.6 | 169 | 0 | 0 | 0 | 110.6 | D1164 L1166 P1181 E1184 W1187 M1188 | D1164-L1199 PolarHBondContact O-N 3.11Å; L1166-L1199 PolarHBondContact N-O 2.97Å; P1181-L1199 HydrophobicContact CB-CD2 4.18Å; P1181-L1199 HydrophobicContact CG-CD2 4.01Å; E1184-L1199 WeakPolarHBondContact OE2-CD1 3.44Å; W1187-L1199 HydrophobicContact CB-CD2 4.37Å; W1187-L1199 HydrophobicContact CD2-CB 4.45Å; W1187-L1199 HydrophobicContact CE3-CB 3.75Å; W1187-L1199 HydrophobicContact CZ3-CB 4.29Å; M1188-L1199 CarbonylContact O-C 3.58Å; M1188-L1199 WeakPolarHBondContact O-CA 3.33Å |
| 1200 | V | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 140.8 | 174.1 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | L1166 L1168 L1174 I1176 W1187 M1188 A1190 I1205 | L1166-V1200 HydrophobicContact CB-CG1 3.79Å; L1166-V1200 HydrophobicContact CD2-CG1 3.95Å; L1166-V1200 HydrophobicContact CG-CG1 4.47Å; L1168-V1200 HydrophobicContact CD1-CB 4.46Å; L1168-V1200 HydrophobicContact CD1-CG1 4.33Å; L1168-V1200 HydrophobicContact CD2-CG1 3.82Å; L1168-V1200 HydrophobicContact CG-CG1 4.44Å; L1174-V1200 HydrophobicContact CD1-CG1 4.32Å; I1176-V1200 HydrophobicContact CD1-CG2 4.18Å; W1187-V1200 CarbonylContact C-O 3.53Å; W1187-V1200 WeakPolarHBondContact CA-O 2.94Å; W1187-V1200 VanDerWaalsContact CE3-C 3.46Å; M1188-V1200 HydrophobicContact CB-CG2 4.27Å; M1188-V1200 HydrophobicContact CE-CG2 4.34Å; M1188-V1200 PolarHBondContact N-O 2.79Å; M1188-V1200 PolarHBondContact O-N 2.98Å; A1190-V1200 HydrophobicContact CB-CB 4.41Å; A1190-V1200 HydrophobicContact CB-CG1 3.78Å; A1190-V1200 HydrophobicContact CB-CG2 3.68Å; V1200-I1205 HydrophobicContact CG2-CG2 4.47Å |
| 1201 | P | 92.6 | Very high | 90.6 | Very high | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.078 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 137.3 | 177.8 | -17.9 | 30.2 | 0 | 0 | 0 | 112.5 | W1187 S1203 H1204 | W1187-P1201 HydrophobicContact CE3-CG 4.1Å; W1187-P1201 HydrophobicContact CH2-CG 4Å; W1187-P1201 HydrophobicContact CZ3-CG 3.68Å; P1201-S1203 PolarHBondContact O-N 3.31Å; P1201-S1203 VanDerWaalsContact O-N 3.17Å; P1201-H1204 HydrophobicContact CB-CB 4.13Å; P1201-H1204 HydrophobicContact CG-CB 4.29Å; P1201-H1204 PolarHBondContact O-N 3.38Å |
| 1202 | R | 92 | Very high | 89.2 | Confident | 39 Ų | 39 | 49 Ų | 49 | 15% | 0.147 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -59.3 | -24.7 | 174.9 | -77.9 | -175.9 | 176 | -167 | 1.3 | 114.2 | H1099 R1179 E1180 I1185 E1186 M1188 | H1099-R1202 HydrophobicContact CB-CB 4.45Å; H1099-R1202 PolarHBondContact ND1-O 2.95Å; R1179-R1202 PolarHBondContact O-NH2 3.44Å; E1180-R1202 IonicContact OE1-CZ 2.92Å; E1180-R1202 IonicContact OE1-NH1 3.84Å; E1180-R1202 IonicContact OE1-NH2 2.73Å; E1180-R1202 PolarHBondContact OE1-NH2 3.11Å; I1185-R1202 VanDerWaalsContact O-CD 3.23Å; I1185-R1202 WeakPolarHBondContact O-CD 3.47Å; I1185-R1202 PolarHBondContact O-NE 3.24Å; I1185-R1202 PolarHBondContact O-NH1 3.05Å; E1186-R1202 WeakPolarHBondContact O-CB 3.42Å; E1186-R1202 WeakPolarHBondContact O-CG 3.49Å; E1186-R1202 PolarHBondContact O-N 2.87Å; M1188-R1202 HydrophobicContact CE-CB 4.16Å; M1188-R1202 HydrophobicContact CE-CG 3.57Å; M1188-R1202 HydrophobicContact CG-CG 3.89Å; M1188-R1202 HydrophobicContact SD-CG 3.9Å |
| 1203 | S | 91.4 | Very high | 87.3 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -80 | -16 | 176.2 | 59.7 | 0 | 0 | 0 | 0 | 114.2 | S1097 H1099 P1201 | S1097-S1203 PolarHBondContact OG-O 3.06Å; H1099-S1203 VanDerWaalsContact O-CB 3.22Å; H1099-S1203 WeakPolarHBondContact O-CB 3.31Å; P1201-S1203 PolarHBondContact O-N 3.31Å; P1201-S1203 VanDerWaalsContact O-N 3.17Å |
| 1204 | H | 91.5 | Very high | 84.9 | Confident | 28 Ų | 28 | 49.1 Ų | 49.1 | 13% | 0.13 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -98.4 | 6.7 | -174.3 | -75.1 | 48 | 0 | 0 | 0 | 113.6 | A1143 L1144 F1145 L1168 P1201 | A1143-H1204 WeakPolarHBondContact CA-O 2.96Å; L1144-H1204 PolarHBondContact N-O 3.41Å; F1145-H1204 HydrophobicContact CD2-CB 4.39Å; F1145-H1204 AromaticContact CD2-CG 3.99Å; L1168-H1204 HydrophobicContact CD1-CB 4.21Å; P1201-H1204 HydrophobicContact CB-CB 4.13Å; P1201-H1204 HydrophobicContact CG-CB 4.29Å; P1201-H1204 PolarHBondContact O-N 3.38Å |
| 1205 | I | 92.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 158.2 | -177.7 | 65.4 | 139.5 | 0 | 0 | 0 | 113.1 | L1133 V1141 Y1142 L1174 I1176 M1188 V1200 | L1133-I1205 HydrophobicContact CD1-CD1 3.77Å; L1133-I1205 HydrophobicContact CD1-CG1 4.39Å; L1133-I1205 HydrophobicContact CD2-CD1 3.8Å; L1133-I1205 HydrophobicContact CD2-CG1 4.14Å; L1133-I1205 HydrophobicContact CG-CD1 3.72Å; V1141-I1205 HydrophobicContact CB-CB 4.4Å; V1141-I1205 HydrophobicContact CB-CD1 3.77Å; V1141-I1205 HydrophobicContact CG1-CD1 3.74Å; V1141-I1205 HydrophobicContact CG2-CB 4.27Å; V1141-I1205 HydrophobicContact CG2-CD1 3.71Å; V1141-I1205 HydrophobicContact CG2-CG2 4.35Å; Y1142-I1205 CarbonylContact O-C 3.41Å; Y1142-I1205 WeakPolarHBondContact O-CA 3.47Å; L1174-I1205 HydrophobicContact CD1-CG2 4.1Å; I1176-I1205 HydrophobicContact CD1-CD1 4.38Å; M1188-I1205 HydrophobicContact CE-CD1 3.23Å; M1188-I1205 HydrophobicContact CE-CG1 3.61Å; M1188-I1205 HydrophobicContact SD-CD1 4.16Å; V1200-I1205 HydrophobicContact CG2-CG2 4.47Å |
| 1206 | S | 92.1 | Very high | 79.7 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 165 | 171.6 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | L1133 V1141 Y1142 Y1208 | L1133-S1206 VanDerWaalsContact CD1-C 3.5Å; V1141-S1206 CarbonylContact C-O 3.57Å; V1141-S1206 VanDerWaalsContact CA-O 3.31Å; V1141-S1206 WeakPolarHBondContact CA-O 3.43Å; V1141-S1206 WeakPolarHBondContact CB-O 3.41Å; Y1142-S1206 PolarHBondContact N-O 3.13Å; Y1142-S1206 PolarHBondContact O-N 2.94Å; S1206-Y1208 WeakPolarHBondContact CB-O 3.22Å; S1206-Y1208 PolarHBondContact O-N 2.85Å; S1206-Y1208 PolarHBondContact OG-N 3.09Å |
| 1207 | C | 90.5 | Very high | 77 | Confident | 17 Ų | 17 | 49.8 Ų | 49.8 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -66.8 | -15 | 166.9 | -75.7 | 0 | 0 | 0 | 0 | 113 | ||
| 1208 | Y | 90.9 | Very high | 74.1 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 16% | 0.161 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -132.6 | 149.3 | -170.9 | -58.1 | -83.3 | 0 | 0 | 0 | 111.1 | V1092 E1093 R1132 Y1142 S1206 | V1092-Y1208 HydrophobicContact CG1-CD2 3.96Å; V1092-Y1208 HydrophobicContact CG1-CE2 3.86Å; V1092-Y1208 WeakPolarHBondContact O-CD2 3.39Å; E1093-Y1208 HydrophobicContact CG-CE1 4.08Å; E1093-Y1208 HydrophobicContact CG-CE2 4.1Å; E1093-Y1208 WeakPolarHBondContact O-CB 3.23Å; R1132-Y1208 VanDerWaalsContact CZ-OH 3.31Å; R1132-Y1208 PolarHBondContact NH1-OH 2.82Å; R1132-Y1208 PolarHBondContact NH2-OH 3.45Å; Y1142-Y1208 VanDerWaalsContact CD2-C 3.4Å; S1206-Y1208 WeakPolarHBondContact CB-O 3.22Å; S1206-Y1208 PolarHBondContact O-N 2.85Å; S1206-Y1208 PolarHBondContact OG-N 3.09Å |
| 1209 | P | 89.9 | Confident | 71.2 | Confident | 47 Ų | 47 | 53 Ų | 53 | 31% | 0.305 | 30% | 0.303 | S | S | . | . | trans | -72.6 | 148.5 | 176.6 | 31.8 | -34.7 | 0 | 0 | 0 | 111.2 | H1094 Y1142 N1171 V1211 | H1094-P1209 CarbonylContact C-O 3.45Å; Y1142-P1209 HydrophobicContact CD1-CB 4Å; Y1142-P1209 HydrophobicContact CD2-CB 4.43Å; Y1142-P1209 HydrophobicContact CE1-CB 4.27Å; Y1142-P1209 HydrophobicContact CG-CB 4.08Å; N1171-P1209 WeakPolarHBondContact OD1-CA 3.45Å; P1209-V1211 PolarHBondContact O-N 3.32Å | ||
| 1210 | L | 86.2 | Confident | 68.4 | Low | 15 Ų | 15 | 60 Ų | 60 | 8% | 0.079 | 34% | 0.339 | C | S | . | . | trans | -69 | 116.1 | 172.3 | -173.7 | 72.6 | 0 | 0 | 0 | 110.6 | V1065 N1066 H1094 L1144 N1171 R1212 | V1065-L1210 HydrophobicContact CG2-CD1 3.74Å; N1066-L1210 WeakPolarHBondContact ND2-CD1 3.47Å; H1094-L1210 WeakPolarHBondContact O-CA 3.44Å; L1144-L1210 HydrophobicContact CD2-CB 4.32Å; N1171-L1210 PolarHBondContact ND2-O 3.11Å; N1171-L1210 WeakPolarHBondContact OD1-CB 3.3Å; N1171-L1210 PolarHBondContact OD1-N 2.86Å; L1210-R1212 HydrophobicContact CD2-CG 4.09Å; L1210-R1212 HydrophobicContact CG-CG 4.24Å; L1210-R1212 PolarHBondContact O-N 3.33Å | ||
| 1211 | V | 78.5 | Confident | 65.3 | Low | 58 Ų | 58 | 66.1 Ų | 66.1 | 35% | 0.352 | 37% | 0.369 | S | S | . | . | trans | -90.4 | 82.7 | 179 | -176.6 | 0 | 0 | 0 | 0 | 110.4 | H1094 P1209 | H1094-V1211 HydrophobicContact CB-CB 4.47Å; H1094-V1211 HydrophobicContact CB-CG2 4.47Å; H1094-V1211 PolarHBondContact O-N 3.16Å; P1209-V1211 PolarHBondContact O-N 3.32Å | ||
| 1212 | R | 66.2 | Low | 62.1 | Low | 156 Ų | 156 | 74 Ų | 74 | 59% | 0.589 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -94.5 | 123.3 | 166.2 | -80.9 | -177.1 | 170.9 | -150.9 | 3 | 110.3 | D1064 L1210 | D1064-R1212 IonicContact OD2-CZ 2.57Å; D1064-R1212 IonicContact OD2-NE 2.68Å; D1064-R1212 IonicContact OD2-NH2 3.15Å; D1064-R1212 PolarHBondContact OD2-NH2 2.79Å; L1210-R1212 HydrophobicContact CD2-CG 4.09Å; L1210-R1212 HydrophobicContact CG-CG 4.24Å; L1210-R1212 PolarHBondContact O-N 3.33Å |
| 1213 | I | 50.7 | Low | 59 | Low | 48 Ų | 48 | 77.7 Ų | 77.7 | 25% | 0.246 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 118.7 | 179 | -58.5 | 176.7 | 0 | 0 | 0 | 108.1 | L1059 S1217 | L1059-I1213 VanDerWaalsContact O-CD1 3.32Å; L1059-I1213 WeakPolarHBondContact O-CD1 3.48Å; I1213-S1217 WeakPolarHBondContact CG2-OG 3.5Å |
| 1214 | P | 38.7 | Very low | 56.1 | Low | 75 Ų | 75 | 81.7 Ų | 81.7 | 49% | 0.487 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 140.6 | 178.6 | 27.7 | -33.3 | 0 | 0 | 0 | 110.6 | S1216 S1217 | P1214-S1216 PolarHBondContact O-N 2.95Å; P1214-S1217 PolarHBondContact O-N 2.97Å; P1214-S1217 PolarHBondContact O-OG 2.84Å |
| 1215 | P | 37.3 | Very low | 53 | Low | 127 Ų | 127 | 89.3 Ų | 89.3 | 83% | 0.825 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | 1.3 | -171.5 | 25.6 | -35.2 | 0 | 0 | 0 | 115.3 | ||
| 1216 | S | 29.7 | Very low | 49.7 | Very low | 111 Ų | 111 | 95.6 Ų | 95.6 | 78% | 0.776 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -9.4 | 172.5 | 54 | 0 | 0 | 0 | 0 | 114.2 | P1214 | P1214-S1216 PolarHBondContact O-N 2.95Š|
| 1217 | S | 34.2 | Very low | 46.7 | Very low | 57 Ų | 57 | 103.7 Ų | 103.7 | 40% | 0.399 | 56% | 0.564 | S | S | . | * | trans | -103.9 | 35.6 | -172.9 | 62.8 | 0 | 0 | 0 | 0 | 115.3 | I1213 P1214 P1219 | I1213-S1217 WeakPolarHBondContact CG2-OG 3.5Å; P1214-S1217 PolarHBondContact O-N 2.97Å; P1214-S1217 PolarHBondContact O-OG 2.84Å; S1217-P1219 VanDerWaalsContact C-CD 3.44Å; S1217-P1219 WeakPolarHBondContact O-CD 3.41Å | ||
| 1218 | L | 31.5 | Very low | 43.7 | Very low | 116 Ų | 116 | 107.8 Ų | 107.8 | 61% | 0.607 | 59% | 0.592 | S | S | * | * | trans | -98 | 88 | 171.5 | -78.5 | 172.6 | 0 | 0 | 0 | 112.7 | I1220 | L1218-I1220 PolarHBondContact O-N 2.68Š| ||
| 1219 | P | 30.8 | Very low | 40.8 | Very low | 105 Ų | 105 | 113.4 Ų | 113.4 | 68% | 0.682 | 62% | 0.622 | S | S | * | * | trans | -73.8 | 105.6 | 155.1 | 31.6 | -29.9 | 0 | 0 | 0 | 108.6 | S1217 M1221 | S1217-P1219 VanDerWaalsContact C-CD 3.44Å; S1217-P1219 WeakPolarHBondContact O-CD 3.41Å; P1219-M1221 VanDerWaalsContact C-N 3.28Å; P1219-M1221 PolarHBondContact O-N 2.75Å | ||
| 1220 | I | 36.6 | Very low | 37.7 | Very low | 169 Ų | 169 | 120 Ų | 120 | 87% | 0.867 | 64% | 0.641 | S | S | * | * | trans | -66.6 | 90.2 | 167.9 | -56.3 | 172 | 0 | 0 | 0 | 107.8 | L1218 | L1218-I1220 PolarHBondContact O-N 2.68Š| ||
| 1221 | M | 28.3 | Very low | 34.8 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 63% | 0.631 | 67% | 0.665 | S | S | * | * | trans | -153.2 | 109 | -178.7 | -141 | 171.5 | 71.1 | 0 | 0 | 113.6 | V959 P1219 | V959-M1221 HydrophobicContact CG1-SD 4.04Å; P1219-M1221 VanDerWaalsContact C-N 3.28Å; P1219-M1221 PolarHBondContact O-N 2.75Å | ||
| 1222 | E | 24.7 | Very low | 32.3 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 83% | 0.832 | 67% | 0.673 | S | S | * | * | trans | 46.1 | 128.2 | 158.1 | -59.8 | -171.3 | 177.6 | 0 | 0 | 119.4 | ||||
| 1223 | T | 27.2 | Very low | 30.4 | Very low | 117 Ų | 117 | 123.9 Ų | 123.9 | 72% | 0.718 | 68% | 0.68 | S | S | * | * | trans | -51.1 | 138.5 | 173.3 | 44 | 0 | 0 | 0 | 0 | 112.1 | K1225 | T1223-K1225 PolarHBondContact O-N 3.48Š| ||
| 1224 | P | 29.9 | Very low | 29.3 | Very low | 122 Ų | 122 | 131.6 Ų | 131.6 | 79% | 0.792 | 71% | 0.706 | S | S | * | * | trans | -54.5 | 118.7 | 163.4 | -22.5 | 33.2 | 0 | 0 | 0 | 108.3 | T1226 | P1224-T1226 VanDerWaalsContact C-N 3.33Å; P1224-T1226 PolarHBondContact O-N 2.82Å | ||
| 1225 | K | 25.3 | Very low | 28.6 | Very low | 189 Ų | 189 | 136 Ų | 136 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | -61.5 | 96.8 | 174.2 | -73.3 | 177 | -178.4 | 170 | 0 | 108.6 | T1223 F1227 | T1223-K1225 PolarHBondContact O-N 3.48Å; K1225-F1227 PolarHBondContact O-N 2.87Å | ||
| 1226 | T | 24.8 | Very low | 28.1 | Very low | 131 Ų | 131 | 138.1 Ų | 138.1 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | 20 | 73.3 | 168.2 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | P1224 S1228 | P1224-T1226 VanDerWaalsContact C-N 3.33Å; P1224-T1226 PolarHBondContact O-N 2.82Å; T1226-S1228 PolarHBondContact O-N 2.89Å | ||
| 1227 | F | 28.7 | Very low | 28.1 | Very low | 171 Ų | 171 | 141.5 Ų | 141.5 | 75% | 0.75 | 73% | 0.725 | S | S | * | * | trans | -72.5 | 79.4 | 167.5 | -162.5 | -89.2 | 0 | 0 | 0 | 106.5 | K1225 M1229 | K1225-F1227 PolarHBondContact O-N 2.87Å; F1227-M1229 HydrophobicContact CD1-CB 4.12Å; F1227-M1229 HydrophobicContact CD1-CE 4.38Å; F1227-M1229 HydrophobicContact CE1-CB 4.17Å; F1227-M1229 HydrophobicContact CE1-CE 4.1Å; F1227-M1229 HydrophobicContact CE1-CG 4.4Å; F1227-M1229 PolarHBondContact O-N 3.17Å | ||
| 1228 | S | 28.3 | Very low | 28.1 | Very low | 102 Ų | 102 | 146.3 Ų | 146.3 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | trans | -63.7 | 89.1 | 171.3 | -177.3 | 0 | 0 | 0 | 0 | 106.2 | T1226 R1230 | T1226-S1228 PolarHBondContact O-N 2.89Å; S1228-R1230 PolarHBondContact O-N 2.74Å | ||
| 1229 | M | 30.1 | Very low | 28.1 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 79% | 0.788 | 75% | 0.749 | S | S | * | * | trans | -74.1 | 61.7 | 164.3 | -161.7 | -178.7 | -58.6 | 0 | 0 | 108.1 | F1227 S1231 | F1227-M1229 HydrophobicContact CD1-CB 4.12Å; F1227-M1229 HydrophobicContact CD1-CE 4.38Å; F1227-M1229 HydrophobicContact CE1-CB 4.17Å; F1227-M1229 HydrophobicContact CE1-CE 4.1Å; F1227-M1229 HydrophobicContact CE1-CG 4.4Å; F1227-M1229 PolarHBondContact O-N 3.17Å; M1229-S1231 PolarHBondContact O-N 3.44Å | ||
| 1230 | R | 24 | Very low | 28.2 | Very low | 186 Ų | 186 | 147.9 Ų | 147.9 | 70% | 0.702 | 75% | 0.75 | S | S | * | * | trans | 32.8 | 85.6 | 158.2 | -165.5 | -173.7 | -175.1 | 143.1 | 4.3 | 114.3 | S1228 T1232 | S1228-R1230 PolarHBondContact O-N 2.74Å; R1230-T1232 HydrophobicContact CG-CG2 3.91Å; R1230-T1232 WeakPolarHBondContact CG-OG1 3.47Å; R1230-T1232 PolarHBondContact NE-OG1 3.23Å; R1230-T1232 PolarHBondContact O-N 3.4Å | ||
| 1231 | S | 25.7 | Very low | 28.3 | Very low | 85 Ų | 85 | 146.7 Ų | 146.7 | 59% | 0.594 | 75% | 0.745 | S | S | * | * | trans | -57.8 | 108.1 | 150.4 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | M1229 W1234 | M1229-S1231 PolarHBondContact O-N 3.44Å; S1231-W1234 PolarHBondContact OG-O 3.07Å | ||
| 1232 | T | 25 | Very low | 28.9 | Very low | 82 Ų | 82 | 147.2 Ų | 147.2 | 50% | 0.503 | 75% | 0.751 | S | S | . | * | trans | -147.3 | 117.9 | 160.9 | 39.9 | 0 | 0 | 0 | 0 | 103.5 | R1230 | R1230-T1232 HydrophobicContact CG-CG2 3.91Å; R1230-T1232 WeakPolarHBondContact CG-OG1 3.47Å; R1230-T1232 PolarHBondContact NE-OG1 3.23Å; R1230-T1232 PolarHBondContact O-N 3.4Å | ||
| 1233 | I | 27.9 | Very low | 29.5 | Very low | 143 Ų | 143 | 145.5 Ų | 145.5 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 66.9 | 87 | -138 | -44.5 | 158.7 | 0 | 0 | 0 | 107.8 | ||
| 1234 | W | 26.6 | Very low | 30.1 | Very low | 209 Ų | 209 | 147.2 Ų | 147.2 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | S | Bend | cis | -133.6 | 139.8 | 16.9 | -54.4 | 80.4 | 0 | 0 | 0 | 110.9 | S1231 | S1231-W1234 PolarHBondContact OG-O 3.07Š|
| 1235 | N | 23.5 | Very low | 30.3 | Very low | 168 Ų | 168 | 151.1 Ų | 151.1 | 90% | 0.898 | 76% | 0.759 | S | S | * | * | trans | -176.2 | 64.3 | 160.1 | -110 | 17.6 | 0 | 0 | 0 | 110 | ||||
| 1236 | E | 26.5 | Very low | 30.9 | Very low | 172 Ų | 172 | 147 Ų | 147 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -164.2 | 107.6 | 172.3 | -161.9 | 171.5 | -123.4 | 0 | 0 | 103.4 | ||||
| 1237 | F | 31.3 | Very low | 31.5 | Very low | 181 Ų | 181 | 147.9 Ų | 147.9 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | cis | -113.9 | 152.2 | 10.4 | -81.5 | -124.8 | 0 | 0 | 0 | 112.5 | ||||
| 1238 | D | 33.2 | Very low | 31.7 | Very low | 159 Ų | 159 | 143.3 Ų | 143.3 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | trans | -148.7 | 97.6 | 143.6 | -134.7 | -6.9 | 0 | 0 | 0 | 106 | ||||
| 1239 | N | 32.2 | Very low | 31.9 | Very low | 123 Ų | 123 | 146.8 Ų | 146.8 | 66% | 0.658 | 77% | 0.766 | S | S | * | * | trans | 176.1 | 128.2 | 158.7 | -109.7 | 45 | 0 | 0 | 0 | 111.4 | ||||
| 1240 | D | 33 | Very low | 32.3 | Very low | 131 Ų | 131 | 143 Ų | 143 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | 76.7 | 138 | 146.1 | -47.2 | -29.2 | 0 | 0 | 0 | 121.2 | ||||
| 1241 | D | 38.7 | Very low | 32.6 | Very low | 144 Ų | 144 | 141.7 Ų | 141.7 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 81.5 | 82.6 | 159 | -54.2 | -10.2 | 0 | 0 | 0 | 121.1 | ||||
| 1242 | D | 39.5 | Very low | 33.1 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | 64.3 | 124 | 118.8 | -57.4 | -6.7 | 0 | 0 | 0 | 124.5 | |||||
| 1243 | D | 37.8 | Very low | 33.4 | Very low | 141 Ų | 141 | 145.3 Ų | 145.3 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | 74.1 | 124.4 | 134.6 | -61.6 | -9.2 | 0 | 0 | 0 | 125.4 | ||||
| 1244 | D | 39.1 | Very low | 33.6 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | 65.2 | 115.5 | 139.5 | -68 | -12.5 | 0 | 0 | 0 | 124.3 | ||||
| 1245 | E | 34.9 | Very low | 33.5 | Very low | 203 Ų | 203 | 148.7 Ų | 148.7 | 95% | 0.949 | 80% | 0.801 | S | S | * | * | trans | -86.8 | 106.9 | 143.7 | -80 | -166.2 | 127.4 | 0 | 0 | 110.7 | ||||
| 1246 | S | 38.7 | Very low | 33.7 | Very low | 102 Ų | 102 | 147 Ų | 147 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -165.7 | 158.2 | 136.8 | -142.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1247 | D | 37.7 | Very low | 33.8 | Very low | 151 Ų | 151 | 146.1 Ų | 146.1 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | 59.6 | 93.7 | 153.5 | -63.1 | 13.9 | 0 | 0 | 0 | 119.5 | ||||
| 1248 | G | 31.2 | Very low | 33.7 | Very low | 74 Ų | 74 | 147.6 Ų | 147.6 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | 103.1 | 113.6 | 96.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1249 | D | 33.1 | Very low | 33.4 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 94% | 0.936 | 79% | 0.788 | S | S | * | * | trans | 76 | 161.1 | 146.4 | -88 | -29.8 | 0 | 0 | 0 | 122.5 | ||||
| 1250 | A | 38.3 | Very low | 33.1 | Very low | 82 Ų | 82 | 150.8 Ų | 150.8 | 68% | 0.678 | 80% | 0.796 | S | S | * | * | trans | 75.2 | 68.9 | 160.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1251 | N | 31 | Very low | 32.7 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | 42.5 | 120.7 | 129.4 | -67.6 | -58.2 | 0 | 0 | 0 | 120.8 | |||||
| 1252 | T | 35 | Very low | 32.2 | Very low | 136 Ų | 136 | 155 Ų | 155 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | -164.4 | 102.4 | 111.5 | 12.3 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1253 | S | 32.1 | Very low | 31.6 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 38.1 | 96.2 | 141.4 | 63 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1254 | K | 33 | Very low | 30.9 | Very low | 206 Ų | 206 | 158 Ų | 158 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | -158.8 | 115.7 | 112.4 | -135.5 | 175.4 | -176.6 | 178.5 | 0 | 111.9 | |||||
| 1255 | Y | 24.6 | Very low | 30.3 | Very low | 216 Ų | 216 | 159 Ų | 159 | 85% | 0.847 | 80% | 0.798 | S | S | * | * | trans | -126.3 | 161.8 | 174.6 | -119.5 | -94.2 | 0 | 0 | 0 | 110.4 | ||||
| 1256 | D | 25.9 | Very low | 29.8 | Very low | 134 Ų | 134 | 154.5 Ų | 154.5 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | trans | 56 | 115.8 | 169.3 | -59.5 | -36.6 | 0 | 0 | 0 | 119.3 | ||||
| 1257 | Q | 30.4 | Very low | 29.5 | Very low | 153 Ų | 153 | 159 Ų | 159 | 72% | 0.715 | 79% | 0.79 | S | S | * | * | -168.9 | 141.8 | 89.9 | -106.3 | -174.6 | 41 | 0 | 0 | 115 | |||||
| 1258 | R | 29.2 | Very low | 28.9 | Very low | 212 Ų | 212 | 158.3 Ų | 158.3 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | 86.6 | 116.8 | 155.9 | -65.3 | 163.8 | -162.4 | -140.7 | -1.4 | 119.6 | ||||
| 1259 | E | 26.2 | Very low | 28.8 | Very low | 180 Ų | 180 | 163.2 Ų | 163.2 | 84% | 0.841 | 79% | 0.789 | S | S | * | * | trans | -58.6 | 147.7 | 152.8 | -50 | 149.6 | 110.1 | 0 | 0 | 111.2 | ||||
| 1260 | M | 26.7 | Very low | 28.7 | Very low | 168 Ų | 168 | 162.4 Ų | 162.4 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | -161.9 | 133.4 | 125.5 | -121.4 | 173.7 | -70.6 | 0 | 0 | 112.7 | |||||
| 1261 | E | 23.1 | Very low | 28.2 | Very low | 131 Ų | 131 | 165.2 Ų | 165.2 | 61% | 0.612 | 79% | 0.787 | S | S | * | * | trans | 10.9 | 121.7 | 143.5 | -176.8 | 175.1 | -152.4 | 0 | 0 | 118.6 | K1263 | E1261-K1263 IonicContact OE1-NZ 3.12Å; E1261-K1263 PolarHBondContact OE1-NZ 3.48Å | ||
| 1262 | Y | 28.3 | Very low | 28 | Very low | 233 Ų | 233 | 163.9 Ų | 163.9 | 91% | 0.914 | 79% | 0.787 | S | S | * | * | trans | -132.9 | 133.3 | 146.9 | -110.7 | -84.6 | 0 | 0 | 0 | 112.5 | ||||
| 1263 | K | 27 | Very low | 27.6 | Very low | 148 Ų | 148 | 165.5 Ų | 165.5 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -96.1 | 168 | 173.2 | -64.4 | -172.6 | 179.1 | 77.8 | 0 | 110.5 | E1261 H1265 | E1261-K1263 IonicContact OE1-NZ 3.12Å; E1261-K1263 PolarHBondContact OE1-NZ 3.48Å; K1263-H1265 PolarHBondContact O-N 2.58Å | ||
| 1264 | F | 22.9 | Very low | 27.3 | Very low | 196 Ų | 196 | 171.1 Ų | 171.1 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -13.9 | 116 | 152.3 | -79.5 | -99.3 | 0 | 0 | 0 | 116.1 | ||||
| 1265 | H | 26.7 | Very low | 27 | Very low | 174 Ų | 174 | 169.4 Ų | 169.4 | 81% | 0.806 | 79% | 0.788 | S | S | * | * | 178.6 | 153.7 | 116.6 | -94.4 | -77 | 0 | 0 | 0 | 106.2 | K1263 | K1263-H1265 PolarHBondContact O-N 2.58Š| |||
| 1266 | D | 25.4 | Very low | 27 | Very low | 108 Ų | 108 | 164.8 Ų | 164.8 | 58% | 0.578 | 79% | 0.788 | S | S | * | * | cis | 166 | 98.8 | -12.6 | 171.5 | 10.5 | 0 | 0 | 0 | 104 | N1268 | D1266-N1268 PolarHBondContact OD1-N 3.24Š| ||
| 1267 | E | 31 | Very low | 27.2 | Very low | 196 Ų | 196 | 167.4 Ų | 167.4 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | trans | -123 | 65.9 | 170.5 | -73 | -156.4 | 130.2 | 0 | 0 | 110.4 | Q1269 | E1267-Q1269 VanDerWaalsContact C-N 3.35Å; E1267-Q1269 PolarHBondContact O-N 2.82Å | ||
| 1268 | N | 25.4 | Very low | 26.8 | Very low | 138 Ų | 138 | 168.3 Ų | 168.3 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | trans | -72.6 | 91 | 148.9 | -84.2 | -70.6 | 0 | 0 | 0 | 109.5 | D1266 | D1266-N1268 PolarHBondContact OD1-N 3.24Š| ||
| 1269 | Q | 28.6 | Very low | 26.6 | Very low | 176 Ų | 176 | 164.1 Ų | 164.1 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -167.2 | 140.5 | 155.4 | -107.5 | 143.4 | 112.1 | 0 | 0 | 111.6 | E1267 | E1267-Q1269 VanDerWaalsContact C-N 3.35Å; E1267-Q1269 PolarHBondContact O-N 2.82Å | ||
| 1270 | L | 31.2 | Very low | 26.6 | Very low | 159 Ų | 159 | 163.7 Ų | 163.7 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 66.7 | 122 | -175 | -51.5 | 160.6 | 0 | 0 | 0 | 113.3 | ||
| 1271 | L | 27.9 | Very low | 26.6 | Very low | 140 Ų | 140 | 162.1 Ų | 162.1 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | cis | -149.9 | 114 | 0.2 | -110.1 | 164.6 | 0 | 0 | 0 | 110 | E1273 | L1271-E1273 PolarHBondContact O-N 2.68Š| ||
| 1272 | P | 27.5 | Very low | 26.7 | Very low | 129 Ų | 129 | 161.2 Ų | 161.2 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | trans | -93.7 | 92.3 | 173.8 | 34.3 | -30.8 | 0 | 0 | 0 | 111.6 | ||||
| 1273 | E | 25.7 | Very low | 26.9 | Very low | 170 Ų | 170 | 155.2 Ų | 155.2 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -126.2 | 146.9 | 162.8 | -72.3 | -156.2 | 140.6 | 0 | 0 | 111.2 | L1271 | L1271-E1273 PolarHBondContact O-N 2.68Š| ||
| 1274 | R | 26.3 | Very low | 26.9 | Very low | 227 Ų | 227 | 153.1 Ų | 153.1 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 70.4 | 50.4 | 172.2 | -63.1 | 179.1 | 154.9 | 158.6 | -6.8 | 119.4 | ||
| 1275 | I | 26.5 | Very low | 27.2 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | S | Bend | -139.7 | 100.9 | 124.7 | -71.1 | 100.3 | 0 | 0 | 0 | 108.4 | |||
| 1276 | S | 26 | Very low | 27.4 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | 174.1 | 87.6 | 159.2 | -86.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1277 | K | 28.5 | Very low | 27.4 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -158.8 | 49.6 | 173.1 | -134.4 | 178.9 | -173.4 | -175.6 | 0 | 115.8 | ||||
| 1278 | M | 23.3 | Very low | 27.3 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | -161.9 | 83.2 | 155.4 | -116.1 | 176.6 | 79.7 | 0 | 0 | 113 | ||||
| 1279 | Q | 25.2 | Very low | 27.7 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 58% | 0.575 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -161.8 | 150.2 | 132.8 | -114 | 177.8 | -6.2 | 0 | 0 | 113.6 | S1138 | S1138-Q1279 PolarHBondContact OG-NE2 2.72Š|
| 1280 | F | 26.1 | Very low | 27.8 | Very low | 172 Ų | 172 | 148.9 Ų | 148.9 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | 25.2 | 105.8 | 168.2 | -65.8 | -71.5 | 0 | 0 | 0 | 120.1 | ||||
| 1281 | V | 26.1 | Very low | 27.8 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -98.1 | 119.5 | 146.7 | 176.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1282 | S | 25 | Very low | 28 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -135.3 | 129.7 | 151.4 | -76.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1283 | P | 31.6 | Very low | 28.2 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -102.6 | 178.6 | -153.2 | 40 | -38.7 | 0 | 0 | 0 | 115.4 | ||||
| 1284 | S | 27.5 | Very low | 28.4 | Very low | 103 Ų | 103 | 144.4 Ų | 144.4 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | 81.1 | 144.5 | 176.8 | -44.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1285 | D | 30.3 | Very low | 28.6 | Very low | 127 Ų | 127 | 140.6 Ų | 140.6 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | cis | -121.5 | -173.1 | 15.7 | -88.4 | -55.3 | 0 | 0 | 0 | 114.6 | ||||
| 1286 | N | 30.7 | Very low | 28.7 | Very low | 153 Ų | 153 | 139.1 Ų | 139.1 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | trans | -94.9 | 165.6 | -156.9 | -68.7 | -83.7 | 0 | 0 | 0 | 117 | ||||
| 1287 | L | 24.6 | Very low | 28.9 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | trans | -68.1 | 172.3 | 163.6 | -76 | 160.9 | 0 | 0 | 0 | 113.2 | ||||
| 1288 | L | 30 | Very low | 29.1 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | trans | 101.7 | 134.8 | 175.6 | -62.7 | 162 | 0 | 0 | 0 | 114 | ||||
| 1289 | N | 32.4 | Very low | 29.3 | Very low | 142 Ų | 142 | 134.2 Ų | 134.2 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | cis | -150.6 | 156.1 | 1.1 | -159.7 | 31.6 | 0 | 0 | 0 | 112.6 | ||||
| 1290 | D | 30.9 | Very low | 29.6 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 80% | 0.802 | 74% | 0.742 | S | S | * | * | trans | -73.7 | 163.3 | 171.6 | -74.7 | -59.2 | 0 | 0 | 0 | 113.3 | ||||
| 1291 | N | 32.4 | Very low | 30 | Very low | 145 Ų | 145 | 132.5 Ų | 132.5 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | trans | -126 | 93.8 | -173.7 | -143.8 | -9.2 | 0 | 0 | 0 | 113.6 | ||||
| 1292 | N | 31.4 | Very low | 30.3 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | trans | 45.9 | 120.2 | 144.1 | -64 | -58.2 | 0 | 0 | 0 | 121.7 | ||||
| 1293 | N | 31.2 | Very low | 30.7 | Very low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 73% | 0.728 | S | S | * | * | 179.8 | 97.1 | 107.7 | -85.2 | -26.7 | 0 | 0 | 0 | 109.7 | |||||
| 1294 | T | 30 | Very low | 30.8 | Very low | 98 Ų | 98 | 133 Ų | 133 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | 61 | 113 | 82.4 | 66.2 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 1295 | N | 31.1 | Very low | 31 | Very low | 147 Ų | 147 | 138 Ų | 138 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | 136.9 | 139.2 | 150.8 | -74.5 | -20 | 0 | 0 | 0 | 113 | ||||
| 1296 | I | 28.6 | Very low | 31.5 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 71% | 0.708 | 73% | 0.727 | S | S | * | * | cis | -166.7 | 165.8 | -17 | -142.9 | 166.5 | 0 | 0 | 0 | 109.7 | ||||
| 1297 | I | 30.4 | Very low | 31.3 | Very low | 138 Ų | 138 | 135 Ų | 135 | 71% | 0.708 | 72% | 0.722 | S | S | * | * | trans | 80.7 | 106 | 159.5 | -80.9 | 170.2 | 0 | 0 | 0 | 122 | ||||
| 1298 | T | 32 | Very low | 31.7 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 66% | 0.656 | 72% | 0.724 | S | S | * | * | trans | 67.7 | 122.9 | 132.7 | 69.9 | 0 | 0 | 0 | 0 | 127 | ||||
| 1299 | N | 27.9 | Very low | 31.6 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | 81.7 | 135.5 | 120.4 | -68.1 | 5.8 | 0 | 0 | 0 | 125 | |||||
| 1300 | N | 31.6 | Very low | 31.5 | Very low | 131 Ų | 131 | 132.9 Ų | 132.9 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | 63.2 | 125 | 147.5 | -57.4 | -4.5 | 0 | 0 | 0 | 117.7 | ||||
| 1301 | N | 34.5 | Very low | 31.3 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 72% | 0.717 | S | S | * | * | cis | -153.1 | 149 | 39.5 | -88.2 | -58.6 | 0 | 0 | 0 | 110.7 | ||||
| 1302 | N | 32.8 | Very low | 31.2 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | 46.9 | 133.3 | 88.5 | -52.5 | -40.5 | 0 | 0 | 0 | 114.7 | |||||
| 1303 | N | 32.6 | Very low | 31.1 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 69% | 0.69 | 73% | 0.727 | S | S | * | * | cis | -171.1 | 173.7 | -8.3 | -120.3 | 26.2 | 0 | 0 | 0 | 108.4 | ||||
| 1304 | D | 34.5 | Very low | 30.9 | Very low | 108 Ų | 108 | 133.3 Ų | 133.3 | 58% | 0.578 | 72% | 0.719 | S | S | * | * | cis | -159.1 | 172.3 | 3.3 | -143.5 | -14.3 | 0 | 0 | 0 | 113.6 | ||||
| 1305 | R | 31.3 | Very low | 30.9 | Very low | 208 Ų | 208 | 136.5 Ų | 136.5 | 79% | 0.785 | 73% | 0.727 | S | S | * | * | trans | 11.2 | 172.7 | 136.2 | -82.9 | 170.4 | -178 | -159.6 | 0.2 | 125.2 | ||||
| 1306 | P | 40.7 | Very low | 30.8 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 72% | 0.723 | S | S | * | * | cis | -136.4 | 153 | -8.2 | 24.6 | -1.3 | 0 | 0 | 0 | 118.8 | ||||
| 1307 | C | 26.8 | Very low | 30.9 | Very low | 106 Ų | 106 | 135 Ų | 135 | 72% | 0.716 | 72% | 0.719 | S | S | * | * | trans | 3.4 | 146.1 | 142.9 | -48.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1308 | T | 32.5 | Very low | 30.9 | Very low | 146 Ų | 146 | 134.6 Ų | 134.6 | 90% | 0.896 | 72% | 0.723 | S | S | * | * | -167.3 | 168.2 | 109.5 | 18.6 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1309 | K | 27.3 | Very low | 30.8 | Very low | 182 Ų | 182 | 134 Ų | 134 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | -175.7 | 108.3 | -76.4 | 175.3 | -173.4 | -178.2 | -174.1 | 0 | 111.4 | |||||
| 1310 | A | 30.4 | Very low | 30.9 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 80% | 0.802 | 73% | 0.727 | S | S | * | * | trans | -170.3 | 129.1 | 158 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1311 | T | 26.8 | Very low | 31 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 68% | 0.675 | 73% | 0.733 | S | S | * | * | cis | 83.1 | 89 | 7.7 | -31.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 1312 | I | 30 | Very low | 30.7 | Very low | 173 Ų | 173 | 135.6 Ų | 135.6 | 89% | 0.887 | 74% | 0.736 | S | S | * | * | trans | -126.5 | 155.3 | 145.6 | -65.7 | -176.2 | 0 | 0 | 0 | 107.6 | ||||
| 1313 | K | 29.3 | Very low | 30.7 | Very low | 165 Ų | 165 | 134.9 Ų | 134.9 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | -125.1 | 132.3 | -171.4 | -93.9 | -162.6 | 168.9 | -162.9 | 0 | 109.2 | ||||
| 1314 | I | 27.6 | Very low | 30.6 | Very low | 119 Ų | 119 | 134 Ų | 134 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | 80.1 | 145.2 | 89.1 | -68.5 | 177.7 | 0 | 0 | 0 | 113.2 | |||||
| 1315 | E | 29.9 | Very low | 30.5 | Very low | 165 Ų | 165 | 133.9 Ų | 133.9 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | 72.7 | 144.6 | 166.2 | -79.3 | 145.8 | -144.4 | 0 | 0 | 117.2 | ||||
| 1316 | D | 29.2 | Very low | 30.6 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 70% | 0.695 | 75% | 0.751 | S | S | * | * | cis | -165.7 | 164.9 | -7.4 | -131.5 | -5.2 | 0 | 0 | 0 | 118.4 | ||||
| 1317 | I | 30.2 | Very low | 29.9 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 63% | 0.631 | 76% | 0.756 | S | S | * | * | trans | 59.8 | 106.8 | 140.7 | -77.4 | 167.9 | 0 | 0 | 0 | 125.4 | ||||
| 1318 | T | 31.4 | Very low | 30.5 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | 65.6 | 172.6 | 137.7 | 76.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1319 | S | 30 | Very low | 30.3 | Very low | 95 Ų | 95 | 132.7 Ų | 132.7 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | cis | -157.3 | 144.4 | 8.6 | 104.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1320 | V | 29.8 | Very low | 30.5 | Very low | 129 Ų | 129 | 128.6 Ų | 128.6 | 78% | 0.782 | 75% | 0.745 | S | S | * | * | trans | 57.8 | 120.2 | 138.1 | -175.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1321 | K | 32.2 | Very low | 30.5 | Very low | 189 Ų | 189 | 128 Ų | 128 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | -173.5 | 118 | 119.3 | -104 | 174.8 | -172.8 | 174.9 | 0 | 115.2 | |||||
| 1322 | S | 30.1 | Very low | 30.7 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | 30.4 | 141.8 | 133.1 | 59.6 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1323 | S | 32.2 | Very low | 30.8 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | cis | -151.2 | 165.8 | 39.1 | 57 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1324 | S | 30.6 | Very low | 30.7 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | trans | -40.3 | 158 | 171.1 | 51.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1325 | S | 32.5 | Very low | 30.7 | Very low | 105 Ų | 105 | 133.4 Ų | 133.4 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | cis | -133.6 | -163 | 18.7 | 58.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1326 | T | 33.9 | Very low | 31.1 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | cis | -153.2 | 174.4 | 14.9 | -27.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1327 | L | 25.2 | Very low | 30.9 | Very low | 157 Ų | 157 | 135 Ų | 135 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -149 | 178.5 | -177 | -82 | 177.5 | 0 | 0 | 0 | 109.5 | ||||
| 1328 | P | 40 | Very low | 31.5 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 65% | 0.649 | 76% | 0.757 | S | S | * | * | cis | -139.2 | 161.9 | 8.3 | 20.9 | 5.5 | 0 | 0 | 0 | 119.4 | ||||
| 1329 | L | 28.6 | Very low | 31.3 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | trans | 65.4 | 150.5 | 141 | -66.2 | 167.9 | 0 | 0 | 0 | 120 | ||||
| 1330 | S | 30.3 | Very low | 31.4 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | cis | -167.5 | 142 | -2.5 | 151.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1331 | A | 30.8 | Very low | 31.6 | Very low | 84 Ų | 84 | 134.5 Ų | 134.5 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | 66.1 | 153.3 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1332 | K | 30.7 | Very low | 31.5 | Very low | 168 Ų | 168 | 132.1 Ų | 132.1 | 73% | 0.73 | 76% | 0.756 | S | S | * | * | cis | -166.9 | 142.1 | -13.4 | -113.1 | 179.4 | 178.5 | -173.2 | 0 | 109.9 | ||||
| 1333 | H | 31.4 | Very low | 31.4 | Very low | 151 Ų | 151 | 135.7 Ų | 135.7 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 64.1 | 155.8 | 155.7 | -54.4 | -21.1 | 0 | 0 | 0 | 117 | ||||
| 1334 | Y | 28.1 | Very low | 31.5 | Very low | 211 Ų | 211 | 137 Ų | 137 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | cis | -148.5 | 177 | -16 | -142.3 | -104.2 | 0 | 0 | 0 | 109 | ||||
| 1335 | I | 28 | Very low | 31.5 | Very low | 151 Ų | 151 | 135 Ų | 135 | 77% | 0.774 | 76% | 0.759 | S | S | * | * | trans | -121.7 | -174.9 | -175.3 | -20.2 | -177.7 | 0 | 0 | 0 | 111.1 | ||||
| 1336 | P | 37.7 | Very low | 31.5 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 69% | 0.688 | 76% | 0.763 | S | S | * | * | -126.8 | 173.8 | -105.1 | 44 | -29.3 | 0 | 0 | 0 | 119.1 | |||||
| 1337 | R | 25.4 | Very low | 31.3 | Very low | 224 Ų | 224 | 139.9 Ų | 139.9 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | 71 | 162.4 | 148.7 | -82.2 | -169.1 | 172.2 | -169.8 | -2.4 | 120.9 | ||||
| 1338 | P | 41.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -137.2 | 175.3 | -145.8 | 45.5 | -29.7 | 0 | 0 | 0 | 118.3 | ||||
| 1339 | S | 28.8 | Very low | 31.2 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -167.2 | 135.2 | 151.6 | 59.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1340 | S | 31.7 | Very low | 31.4 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | 55.8 | -179 | 160.8 | 46 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1341 | V | 33 | Very low | 31.5 | Very low | 131 Ų | 131 | 143.3 Ų | 143.3 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | cis | -145.6 | 170.8 | 10.6 | -147.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1342 | D | 30.1 | Very low | 31.6 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 74% | 0.738 | 76% | 0.757 | S | S | * | * | trans | -72.6 | 178 | 174.1 | -58.1 | -50.1 | 0 | 0 | 0 | 113.9 | ||||
| 1343 | F | 29.5 | Very low | 31.7 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | cis | -160.7 | 165.5 | 30.2 | -137.2 | -77 | 0 | 0 | 0 | 113.5 | ||||
| 1344 | T | 33.9 | Very low | 31.8 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | 73.9 | 147.5 | 173.5 | 76.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1345 | G | 30.3 | Very low | 32.2 | Very low | 70 Ų | 70 | 138.3 Ų | 138.3 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | cis | 168.2 | 156.3 | -10 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1346 | L | 31.5 | Very low | 32.6 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | 78.1 | 110.8 | 169.7 | -60.8 | 167.7 | 0 | 0 | 0 | 120.9 | ||||
| 1347 | K | 31.4 | Very low | 32.5 | Very low | 175 Ų | 175 | 140 Ų | 140 | 76% | 0.761 | 75% | 0.753 | S | S | * | * | 70.5 | 118.5 | 123.9 | -73.1 | -169.8 | 176.1 | -175.1 | 0 | 123.8 | |||||
| 1348 | T | 32.9 | Very low | 33.1 | Very low | 111 Ų | 111 | 137.7 Ų | 137.7 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | 63.8 | 113.5 | 129.2 | 61 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1349 | E | 30 | Very low | 33.1 | Very low | 179 Ų | 179 | 143.5 Ų | 143.5 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | 80.7 | 151.8 | 127.1 | -66.5 | -177.4 | 170.7 | 0 | 0 | 121.9 | |||||
| 1350 | D | 32 | Very low | 33.3 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | trans | 74.2 | 108.7 | 157.9 | -96.8 | 14.8 | 0 | 0 | 0 | 123.5 | ||||
| 1351 | R | 32.4 | Very low | 33.4 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | 73.5 | 110.9 | 123.2 | -73.7 | 179.9 | 165.3 | 107 | -0.4 | 122.1 | |||||
| 1352 | Q | 33 | Very low | 33.4 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | 72.3 | 143.7 | 123.7 | -63.6 | 179.9 | -87.3 | 0 | 0 | 120.8 | |||||
| 1353 | S | 33.2 | Very low | 33.6 | Very low | 110 Ų | 110 | 148.7 Ų | 148.7 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 63.2 | 148.1 | 162.3 | 48.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1354 | S | 33.9 | Very low | 33.9 | Very low | 94 Ų | 94 | 146.6 Ų | 146.6 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | cis | -164.9 | 175.2 | -16.5 | -100.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1355 | D | 36.3 | Very low | 33.9 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | trans | 66.8 | 111.3 | 163.6 | -45.5 | -29.6 | 0 | 0 | 0 | 115.4 | ||||
| 1356 | E | 35 | Very low | 34.2 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | 92.5 | 147.3 | 52.4 | -157.9 | -159.6 | -155.6 | 0 | 0 | 112.7 | |||||
| 1357 | I | 37.6 | Very low | 34.4 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | trans | 89 | 101.8 | 162.8 | -50 | -168.9 | 0 | 0 | 0 | 118.8 | ||||
| 1358 | Q | 37.2 | Very low | 34.6 | Very low | 175 Ų | 175 | 150.5 Ų | 150.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 95.2 | 130.3 | 138.8 | -79.8 | 170 | 24.9 | 0 | 0 | 124.1 | ||||
| 1359 | I | 42 | Very low | 34.8 | Very low | 241 Ų | 241 | 154.1 Ų | 154.1 | 100% | 1.236 | 78% | 0.779 | S | S | * | * | trans | 75.6 | 0 | 165.8 | -54.8 | 169.7 | 0 | 0 | 0 | 115.4 |
Retrieved 1,359 of 1,359 residues in 814.7 ms
(Link to these results)