| 1 | M | 50.4 | Low | 58.5 | Low | 218 Ų | 218 | 148.9 Ų | 148.9 | 100% | 1.074 | 81% | 0.808 | S | S | * | * | | | | 0 | 98 | 0 | 177.5 | 179.6 | 79.3 | 0 | 0 | 105.7 | | |
| 2 | D | 49.5 | Very low | 58.8 | Low | 149 Ų | 149 | 149.7 Ų | 149.7 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | | | trans | -151.9 | 84.5 | 179.4 | -74.6 | -73.4 | 0 | 0 | 0 | 110.1 | K4 | D2-K4 PolarHBondContact O-N 3.44Š|
| 3 | T | 55.6 | Low | 58.5 | Low | 127 Ų | 127 | 147.5 Ų | 147.5 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -78.9 | 95.2 | 174.4 | -37.9 | 0 | 0 | 0 | 0 | 108.3 | T5 | T3-T5 PolarHBondContact O-N 3.21Å; T3-T5 VanDerWaalsContact O-N 3.12Å |
| 4 | K | 56.4 | Low | 58.5 | Low | 188 Ų | 188 | 146.7 Ų | 146.7 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | -81.9 | 87.7 | 172.7 | -69.2 | -171.2 | -179.6 | 175.5 | 0 | 109.9 | D2 H6 | D2-K4 PolarHBondContact O-N 3.44Å; K4-H6 PolarHBondContact O-N 3.2Å |
| 5 | T | 63 | Low | 58.4 | Low | 116 Ų | 116 | 148 Ų | 148 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | | | trans | -76.7 | 104.5 | 168.1 | -51.8 | 0 | 0 | 0 | 0 | 108.6 | T3 S7 | T3-T5 PolarHBondContact O-N 3.21Å; T3-T5 VanDerWaalsContact O-N 3.12Å; T5-S7 PolarHBondContact O-N 3.47Å |
| 6 | H | 61.5 | Low | 58.4 | Low | 181 Ų | 181 | 147.9 Ų | 147.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -77.8 | 100.5 | 168.2 | -102.4 | -73.2 | 0 | 0 | 0 | 109 | K4 | K4-H6 PolarHBondContact O-N 3.2Š|
| 7 | S | 62.4 | Low | 58 | Low | 108 Ų | 108 | 145.8 Ų | 145.8 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 127.2 | 168.3 | 34.3 | 0 | 0 | 0 | 0 | 110 | T5 | T5-S7 PolarHBondContact O-N 3.47Š|
| 8 | L | 71.6 | Confident | 57.5 | Low | 153 Ų | 153 | 145.2 Ų | 145.2 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -76 | 148.1 | 176.4 | -65.2 | 171.9 | 0 | 0 | 0 | 110.7 | I10 | L8-I10 PolarHBondContact O-N 3.45Š|
| 9 | P | 59.6 | Low | 57.4 | Low | 115 Ų | 115 | 143.3 Ų | 143.3 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 123.5 | 176.4 | 27.4 | -31.2 | 0 | 0 | 0 | 111.1 | T11 | P9-T11 PolarHBondContact O-N 3.12Š|
| 10 | I | 58.1 | Low | 57.2 | Low | 164 Ų | 164 | 148 Ų | 148 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | | | trans | -78 | 104.5 | 175.1 | -58.5 | 170.9 | 0 | 0 | 0 | 108 | L8 H12 | L8-I10 PolarHBondContact O-N 3.45Å; I10-H12 PolarHBondContact O-N 3.08Å |
| 11 | T | 55.7 | Low | 57 | Low | 119 Ų | 119 | 146.9 Ų | 146.9 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | | | trans | -83.1 | 103.9 | 172.4 | -43.7 | 0 | 0 | 0 | 0 | 109.7 | P9 T13 | P9-T11 PolarHBondContact O-N 3.12Å; T11-T13 PolarHBondContact O-N 3.02Å |
| 12 | H | 62 | Low | 57.2 | Low | 158 Ų | 158 | 145.6 Ų | 145.6 | 73% | 0.731 | 78% | 0.779 | S | S | * | * | | | trans | -78.4 | 99.5 | 171.9 | 178.8 | -85.5 | 0 | 0 | 0 | 109.8 | I10 Q14 | I10-H12 PolarHBondContact O-N 3.08Å; H12-Q14 PolarHBondContact O-N 3.38Å |
| 13 | T | 54.6 | Low | 57.4 | Low | 122 Ų | 122 | 143.3 Ų | 143.3 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -81.6 | 108 | 172.1 | 51.3 | 0 | 0 | 0 | 0 | 110 | T11 | T11-T13 PolarHBondContact O-N 3.02Š|
| 14 | Q | 58.7 | Low | 57.3 | Low | 136 Ų | 136 | 148.6 Ų | 148.6 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | | | trans | -65 | 130.1 | 176.1 | -145.5 | -150.9 | 95.3 | 0 | 0 | 110.6 | H12 H16 | H12-Q14 PolarHBondContact O-N 3.38Å; Q14-H16 PolarHBondContact O-N 3.12Å; Q14-H16 PolarHBondContact OE1-CD2 3.34Å; Q14-H16 PolarHBondContact OE1-NE2 3.09Å; Q14-H16 VanDerWaalsContact OE1-NE2 3.09Å |
| 15 | L | 56.6 | Low | 57 | Low | 166 Ų | 166 | 144.1 Ų | 144.1 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | | | trans | -75.5 | 112.2 | 174.3 | -75.7 | 167.4 | 0 | 0 | 0 | 110.1 | | |
| 16 | H | 59 | Low | 56.5 | Low | 146 Ų | 146 | 147.8 Ų | 147.8 | 68% | 0.676 | 78% | 0.782 | S | S | * | * | | | trans | -95 | 107.6 | 167.2 | -94.2 | -143.9 | 0 | 0 | 0 | 110.6 | Q14 | Q14-H16 PolarHBondContact O-N 3.12Å; Q14-H16 PolarHBondContact OE1-CD2 3.34Å; Q14-H16 PolarHBondContact OE1-NE2 3.09Å; Q14-H16 VanDerWaalsContact OE1-NE2 3.09Å |
| 17 | S | 51.9 | Low | 55.8 | Low | 113 Ų | 113 | 142.8 Ų | 142.8 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | -64.7 | 127.4 | 163.9 | -62.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 18 | N | 48.6 | Very low | 55.4 | Low | 134 Ų | 134 | 144.8 Ų | 144.8 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | | | trans | -143.3 | 111.5 | 164.8 | -84.1 | -59.7 | 0 | 0 | 0 | 112.8 | | |
| 19 | S | 55.3 | Low | 54.5 | Low | 110 Ų | 110 | 139.5 Ų | 139.5 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | 55.9 | 123.7 | 133.9 | 15.1 | 0 | 0 | 0 | 0 | 122 | | |
| 20 | R | 53.6 | Low | 54.3 | Low | 236 Ų | 236 | 139.7 Ų | 139.7 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | | | trans | -48.9 | 149.7 | 172.2 | -163.9 | 171.8 | -175.2 | -135.4 | 3.2 | 114.1 | | |
| 21 | P | 52.9 | Low | 54.1 | Low | 126 Ų | 126 | 139.5 Ų | 139.5 | 82% | 0.818 | 74% | 0.744 | S | S | * | * | | | trans | -82.1 | 128.8 | -173 | 32.1 | -32.3 | 0 | 0 | 0 | 111.6 | | |
| 22 | Q | 54.8 | Low | 54 | Low | 190 Ų | 190 | 139.6 Ų | 139.6 | 89% | 0.888 | 74% | 0.736 | S | S | * | * | | | trans | -118.6 | 81.4 | 167 | -161.9 | 172.2 | 7.1 | 0 | 0 | 109 | | |
| 23 | S | 53.1 | Low | 53.6 | Low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | | | trans | -128.3 | 94.5 | 165.4 | 160.5 | 0 | 0 | 0 | 0 | 107.1 | S25 | S23-S25 VanDerWaalsContact C-N 3.29Å; S23-S25 PolarHBondContact O-N 3.39Å |
| 24 | R | 54.7 | Low | 53.6 | Low | 237 Ų | 237 | 136.4 Ų | 136.4 | 89% | 0.894 | 72% | 0.721 | S | S | * | * | | | trans | -63.5 | 94.1 | 164.2 | -76.8 | 180 | 173.3 | -174.2 | -2 | 107.3 | Q26 | R24-Q26 PolarHBondContact O-N 3.3Š|
| 25 | S | 50.2 | Low | 53.3 | Low | 94 Ų | 94 | 134 Ų | 134 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | | | trans | -72.5 | 104.6 | 166.6 | 56.1 | 0 | 0 | 0 | 0 | 107.8 | S23 C27 | S23-S25 VanDerWaalsContact C-N 3.29Å; S23-S25 PolarHBondContact O-N 3.39Å; S25-C27 PolarHBondContact O-N 2.94Å |
| 26 | Q | 51.4 | Low | 53 | Low | 193 Ų | 193 | 132.6 Ų | 132.6 | 90% | 0.902 | 70% | 0.702 | S | S | * | * | | | trans | -60.2 | 96.6 | 159 | -76.7 | 176.8 | -6.9 | 0 | 0 | 106.8 | R24 T28 | R24-Q26 PolarHBondContact O-N 3.3Å; Q26-T28 PolarHBondContact O-N 2.93Å |
| 27 | C | 47.6 | Very low | 52.8 | Low | 77 Ų | 77 | 129.5 Ų | 129.5 | 52% | 0.52 | 70% | 0.697 | S | S | . | * | | | trans | -84.7 | 113.5 | 178.1 | -149.4 | 0 | 0 | 0 | 0 | 108.3 | S25 C29 | S25-C27 PolarHBondContact O-N 2.94Å; C27-C29 HydrophobicContact CB-CB 4.22Å; C27-C29 WeakPolarHBondContact CB-SG 3.39Å; C27-C29 PolarHBondContact O-N 3.43Å; C27-C29 WeakPolarHBondContact SG-CB 3.49Å; C27-C29 CovalentContact SG-SG 2.03Å; C27-C29 PolarHBondContact SG-SG 3.15Å |
| 28 | T | 53.8 | Low | 52.8 | Low | 150 Ų | 150 | 130.5 Ų | 130.5 | 92% | 0.92 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -74.8 | 35.2 | 164.7 | 45.1 | 0 | 0 | 0 | 0 | 111.3 | Q26 | Q26-T28 PolarHBondContact O-N 2.93Š|
| 29 | C | 52 | Low | 52.9 | Low | 41 Ų | 41 | 127.1 Ų | 127.1 | 28% | 0.277 | 68% | 0.677 | S | S | . | * | | | trans | -119.7 | 26 | -169 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | C27 H31 H32 | C27-C29 HydrophobicContact CB-CB 4.22Å; C27-C29 WeakPolarHBondContact CB-SG 3.39Å; C27-C29 PolarHBondContact O-N 3.43Å; C27-C29 WeakPolarHBondContact SG-CB 3.49Å; C27-C29 CovalentContact SG-SG 2.03Å; C27-C29 PolarHBondContact SG-SG 3.15Å; C29-H31 PolarHBondContact O-N 2.94Å; C29-H31 VanDerWaalsContact O-N 3.11Å; C29-H32 HydrophobicContact CB-CB 4.41Å; C29-H32 PolarHBondContact O-N 2.96Å |
| 30 | T | 56.4 | Low | 52.5 | Low | 119 Ų | 119 | 126.3 Ų | 126.3 | 73% | 0.73 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -56.3 | -30.5 | -178 | -15.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 31 | H | 53.7 | Low | 52.3 | Low | 161 Ų | 161 | 125 Ų | 125 | 75% | 0.745 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -79.6 | -23.5 | 176.6 | -83.9 | -72.9 | 0 | 0 | 0 | 114.7 | C29 T35 | C29-H31 PolarHBondContact O-N 2.94Å; C29-H31 VanDerWaalsContact O-N 3.11Å; H31-T35 PolarHBondContact O-OG1 3.27Å |
| 32 | H | 54.1 | Low | 51.9 | Low | 121 Ų | 121 | 126.8 Ų | 126.8 | 56% | 0.56 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -78.6 | -36.1 | -174.4 | -165.1 | 59.8 | 0 | 0 | 0 | 112.4 | C29 Q34 F36 | C29-H32 HydrophobicContact CB-CB 4.41Å; C29-H32 PolarHBondContact O-N 2.96Å; H32-Q34 VanDerWaalsContact C-N 3.29Å; H32-Q34 PolarHBondContact O-N 3.14Å; H32-F36 AromaticContact CE1-CE2 3.68Å; H32-F36 AromaticContact NE2-CD2 3.97Å; H32-F36 AromaticContact NE2-CE2 3.57Å |
| 33 | C | 52.4 | Low | 51.6 | Low | 81 Ų | 81 | 122.6 Ų | 122.6 | 55% | 0.547 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -71.1 | -24.6 | -179.4 | -63.9 | 0 | 0 | 0 | 0 | 113.1 | S37 | C33-S37 PolarHBondContact O-OG 3.45Å |
| 34 | Q | 54.3 | Low | 51.3 | Low | 132 Ų | 132 | 126.2 Ų | 126.2 | 62% | 0.617 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -81.5 | -33.9 | -176.4 | -156.6 | 159.5 | 71.7 | 0 | 0 | 112.4 | H32 | H32-Q34 VanDerWaalsContact C-N 3.29Å; H32-Q34 PolarHBondContact O-N 3.14Å |
| 35 | T | 52.3 | Low | 51.1 | Low | 86 Ų | 86 | 126.6 Ų | 126.6 | 53% | 0.528 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -70.4 | -39.7 | 177.7 | -40.6 | 0 | 0 | 0 | 0 | 111.8 | H31 S37 Q38 S39 | H31-T35 PolarHBondContact O-OG1 3.27Å; T35-S37 VanDerWaalsContact C-N 3.27Å; T35-S37 PolarHBondContact O-N 3.11Å; T35-Q38 PolarHBondContact O-N 3.05Å; T35-S39 PolarHBondContact O-N 3.4Å; T35-S39 PolarHBondContact O-OG 3.01Å |
| 36 | F | 50.9 | Low | 50.7 | Low | 135 Ų | 135 | 125.6 Ų | 125.6 | 59% | 0.592 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -62.1 | -32.6 | 180 | -102.8 | -85.7 | 0 | 0 | 0 | 113.5 | H32 | H32-F36 AromaticContact CE1-CE2 3.68Å; H32-F36 AromaticContact NE2-CD2 3.97Å; H32-F36 AromaticContact NE2-CE2 3.57Å |
| 37 | S | 54.6 | Low | 50.6 | Low | 81 Ų | 81 | 121.9 Ų | 121.9 | 57% | 0.566 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -74.7 | -23.4 | -179.7 | -60.9 | 0 | 0 | 0 | 0 | 113.6 | C33 T35 | C33-S37 PolarHBondContact O-OG 3.45Å; T35-S37 VanDerWaalsContact C-N 3.27Å; T35-S37 PolarHBondContact O-N 3.11Å |
| 38 | Q | 51.4 | Low | 50.1 | Low | 135 Ų | 135 | 130.3 Ų | 130.3 | 63% | 0.631 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -88 | -39.1 | 179.9 | -70.3 | -165.2 | 81.4 | 0 | 0 | 112.5 | T35 C40 R41 | T35-Q38 PolarHBondContact O-N 3.05Å; Q38-C40 PolarHBondContact O-N 3.44Å; Q38-C40 VanDerWaalsContact O-N 3.13Å; Q38-R41 PolarHBondContact O-N 3.27Å |
| 39 | S | 52 | Low | 49.8 | Very low | 63 Ų | 63 | 128.9 Ų | 128.9 | 44% | 0.441 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -57.9 | -30.3 | -178.6 | -49 | 0 | 0 | 0 | 0 | 114 | T35 R41 S43 | T35-S39 PolarHBondContact O-N 3.4Å; T35-S39 PolarHBondContact O-OG 3.01Å; S39-R41 VanDerWaalsContact C-N 3.32Å; S39-R41 PolarHBondContact O-N 3.38Å; S39-S43 PolarHBondContact O-OG 3.49Å; S39-S43 VanDerWaalsContact O-OG 3.05Å |
| 40 | C | 45.6 | Very low | 49.3 | Very low | 93 Ų | 93 | 138.9 Ų | 138.9 | 63% | 0.628 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -71.2 | -23.7 | 178.4 | -65.6 | 0 | 0 | 0 | 0 | 113.4 | Q38 | Q38-C40 PolarHBondContact O-N 3.44Å; Q38-C40 VanDerWaalsContact O-N 3.13Å |
| 41 | R | 51.2 | Low | 48.7 | Very low | 209 Ų | 209 | 139 Ų | 139 | 79% | 0.789 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -83.1 | -34.5 | -179.7 | -61.8 | -170.4 | -166 | -161.1 | 3.1 | 112.6 | Q38 S39 S43 | Q38-R41 PolarHBondContact O-N 3.27Å; S39-R41 VanDerWaalsContact C-N 3.32Å; S39-R41 PolarHBondContact O-N 3.38Å; R41-S43 PolarHBondContact O-N 2.96Å |
| 42 | E | 43.8 | Very low | 47.9 | Very low | 162 Ų | 162 | 136.7 Ų | 136.7 | 76% | 0.757 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -72.2 | -29.3 | -176.2 | -149.3 | 92.2 | 172 | 0 | 0 | 112.9 | Q44 | E42-Q44 PolarHBondContact O-N 3.43Å |
| 43 | S | 47.8 | Very low | 47.5 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -2.4 | -169.9 | -60.3 | 0 | 0 | 0 | 0 | 114.9 | S39 R41 | S39-S43 PolarHBondContact O-OG 3.49Å; S39-S43 VanDerWaalsContact O-OG 3.05Å; R41-S43 PolarHBondContact O-N 2.96Å |
| 44 | Q | 47.5 | Very low | 46.9 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -4.5 | -178.1 | -72.8 | -168.8 | 6.6 | 0 | 0 | 115.5 | E42 | E42-Q44 PolarHBondContact O-N 3.43Š|
| 45 | R | 50.3 | Low | 46.6 | Very low | 245 Ų | 245 | 140.9 Ų | 140.9 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -115.7 | 30.1 | -172.5 | -72.6 | -168.9 | -177.7 | -123.2 | 3 | 116.2 | | |
| 46 | G | 42.4 | Very low | 46.3 | Very low | 73 Ų | 73 | 142.7 Ų | 142.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | | | trans | -136 | 91.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 47 | S | 48.6 | Very low | 45.6 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | trans | -153.8 | 97.9 | 158.8 | 37.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 48 | R | 36.4 | Very low | 45 | Very low | 253 Ų | 253 | 143.1 Ų | 143.1 | 96% | 0.955 | 79% | 0.789 | S | S | * | * | | | trans | -170.8 | 93.9 | 150.5 | -107.8 | 163.9 | 169.6 | -174.2 | -3.4 | 110.9 | | |
| 49 | S | 48.4 | Very low | 44.6 | Very low | 120 Ų | 120 | 144.8 Ų | 144.8 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | -94.2 | 124 | 169.8 | -52 | 0 | 0 | 0 | 0 | 109.3 | | |
| 50 | R | 41.1 | Very low | 44 | Very low | 252 Ų | 252 | 150 Ų | 150 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | | | trans | -131.5 | 110.2 | 160.6 | -77.2 | -175.2 | 73.8 | -166.8 | 3.5 | 109 | | |
| 51 | S | 44.4 | Very low | 43.7 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 85% | 0.853 | 83% | 0.826 | S | S | * | * | | | trans | -82.7 | 139.4 | 170.9 | -49.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 52 | S | 37.4 | Very low | 43.9 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | | | trans | -170.7 | 116.4 | 144.6 | -163.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 53 | S | 44.1 | Very low | 43.6 | Very low | 126 Ų | 126 | 148.1 Ų | 148.1 | 88% | 0.881 | 83% | 0.83 | S | S | * | * | | | trans | -126.2 | 109.4 | 171.5 | -54.2 | 0 | 0 | 0 | 0 | 107 | | |
| 54 | Q | 40.3 | Very low | 42.8 | Very low | 187 Ų | 187 | 146.8 Ų | 146.8 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 120.2 | 177.9 | -163.8 | 153.7 | 28.1 | 0 | 0 | 107.9 | | |
| 55 | S | 46.9 | Very low | 42.6 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 148.2 | 177.4 | -55.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 56 | P | 47.6 | Very low | 41.8 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 137.7 | 174.2 | 30.1 | -26.6 | 0 | 0 | 0 | 111.9 | | |
| 57 | A | 35.5 | Very low | 41.6 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 127.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 58 | T | 42.2 | Very low | 41.1 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | | | trans | -101.3 | 102.1 | 176.3 | -30.1 | 0 | 0 | 0 | 0 | 109 | | |
| 59 | H | 42.2 | Very low | 41.1 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | | | trans | -146.8 | 110.4 | 166.6 | -73.9 | -74 | 0 | 0 | 0 | 111.6 | | |
| 60 | Q | 40.3 | Very low | 40.2 | Very low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | 41.3 | 126.1 | 134.2 | -51.7 | -66.5 | 57.2 | 0 | 0 | 120.2 | | |
| 61 | N | 38.9 | Very low | 40.3 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | | | trans | -132 | 128.8 | 152.4 | -96.7 | -37.6 | 0 | 0 | 0 | 109 | | |
| 62 | P | 55.5 | Low | 40 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | | | trans | -105.4 | 157.9 | 155.7 | 35.1 | -24.6 | 0 | 0 | 0 | 110.9 | | |
| 63 | T | 37.1 | Very low | 40.7 | Very low | 149 Ų | 149 | 129.3 Ų | 129.3 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | | | trans | 128.2 | 121.7 | 150.4 | -49 | 0 | 0 | 0 | 0 | 113.2 | | |
| 64 | G | 30.9 | Very low | 40.7 | Very low | 76 Ų | 76 | 132.2 Ų | 132.2 | 78% | 0.784 | 81% | 0.807 | S | S | * | * | | | trans | 163.9 | 73.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 65 | A | 43.8 | Very low | 41.1 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 69% | 0.694 | 80% | 0.803 | S | S | * | * | | | trans | -74.5 | 143.6 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 66 | H | 33.1 | Very low | 41.1 | Very low | 181 Ų | 181 | 128.9 Ų | 128.9 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | | | trans | 167.6 | 107.7 | 134.4 | -80.6 | -59.2 | 0 | 0 | 0 | 111.3 | | |
| 67 | S | 38.4 | Very low | 41.4 | Very low | 105 Ų | 105 | 130 Ų | 130 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | | | trans | 71 | 128.2 | 136.7 | -51.1 | 0 | 0 | 0 | 0 | 124 | | |
| 68 | S | 37.7 | Very low | 42.4 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | | | trans | 95.4 | 125.3 | 135.1 | 30.3 | 0 | 0 | 0 | 0 | 123.2 | | |
| 69 | S | 36.5 | Very low | 43.4 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | 85.5 | 97.9 | 150.6 | 73.3 | 0 | 0 | 0 | 0 | 120.1 | | |
| 70 | G | 31 | Very low | 44.7 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | | 61.5 | 101 | 104.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 71 | C | 42.6 | Very low | 46.1 | Very low | 134 Ų | 134 | 122.3 Ų | 122.3 | 91% | 0.905 | 79% | 0.785 | S | S | * | * | | | trans | -9.7 | 114.7 | 158.4 | -54.7 | 0 | 0 | 0 | 0 | 118 | | |
| 72 | Q | 39.1 | Very low | 47.6 | Very low | 193 Ų | 193 | 120.3 Ų | 120.3 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | -127 | 95.8 | 151.6 | -74.3 | -106.5 | -26.4 | 0 | 0 | 108.1 | | |
| 73 | S | 51.1 | Low | 48.1 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | | | trans | -72.3 | 122.8 | 164.1 | 47.8 | 0 | 0 | 0 | 0 | 109.2 | | |
| 74 | Q | 43.2 | Very low | 49.4 | Very low | 188 Ų | 188 | 129.1 Ų | 129.1 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | 173.6 | 140.8 | 131.4 | -95.3 | 177.5 | 40.6 | 0 | 0 | 114 | | |
| 75 | S | 50.3 | Low | 51.1 | Low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | 94.8 | 149.3 | 150 | -126.9 | 0 | 0 | 0 | 0 | 119.6 | | |
| 76 | P | 47.3 | Very low | 52.3 | Low | 113 Ų | 113 | 138.8 Ų | 138.8 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | | -95.6 | 151.7 | -106.1 | 20.2 | -0.8 | 0 | 0 | 0 | 111.4 | A78 | P76-A78 PolarHBondContact O-N 3Š|
| 77 | N | 53.4 | Low | 53.8 | Low | 146 Ų | 146 | 139.2 Ų | 139.2 | 78% | 0.781 | 80% | 0.795 | S | S | * | * | | | trans | -59.7 | 92.2 | -176.3 | -150 | -28.7 | 0 | 0 | 0 | 111.3 | S79 | N77-S79 PolarHBondContact O-N 3.17Š|
| 78 | A | 55.4 | Low | 55.2 | Low | 95 Ų | 95 | 138.7 Ų | 138.7 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | -72.1 | 88.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | P76 | P76-A78 PolarHBondContact O-N 3Š|
| 79 | S | 63.8 | Low | 56.7 | Low | 95 Ų | 95 | 141.3 Ų | 141.3 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 130.8 | 175.9 | -66.8 | 0 | 0 | 0 | 0 | 109 | N77 | N77-S79 PolarHBondContact O-N 3.17Š|
| 80 | P | 68.5 | Low | 58 | Low | 108 Ų | 108 | 140.8 Ų | 140.8 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 143.7 | 172.8 | 23.5 | -30.6 | 0 | 0 | 0 | 108.6 | | |
| 81 | P | 70.9 | Confident | 59.5 | Low | 108 Ų | 108 | 142.1 Ų | 142.1 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -55 | 143.1 | 179.3 | 23 | -32.6 | 0 | 0 | 0 | 109.4 | K83 | P81-K83 PolarHBondContact O-N 3.06Š|
| 82 | P | 69.6 | Low | 60.5 | Low | 124 Ų | 124 | 142.7 Ų | 142.7 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | | | trans | -57.3 | 114.4 | 179.6 | 21.3 | -30.2 | 0 | 0 | 0 | 108.3 | R84 | P82-R84 PolarHBondContact O-N 2.9Š|
| 83 | K | 66.7 | Low | 61.8 | Low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.857 | 76% | 0.758 | S | S | * | * | | | trans | -56.1 | 111.9 | 177.2 | -71 | -177.7 | 178.3 | 178.2 | 0 | 107 | P81 H85 | P81-K83 PolarHBondContact O-N 3.06Å; K83-H85 PolarHBondContact O-N 3.4Å |
| 84 | R | 64 | Low | 62.2 | Low | 246 Ų | 246 | 140.6 Ų | 140.6 | 93% | 0.928 | 75% | 0.753 | S | S | * | * | | | trans | -55.7 | 112.4 | 175.7 | -64.3 | -161.6 | -154.5 | -108.9 | 6.8 | 107.6 | P82 K86 | P82-R84 PolarHBondContact O-N 2.9Å; R84-K86 PolarHBondContact O-N 3.13Å |
| 85 | H | 66.2 | Low | 63.3 | Low | 180 Ų | 180 | 137.2 Ų | 137.2 | 83% | 0.833 | 75% | 0.747 | S | S | * | * | | | trans | -69.2 | 101.9 | 174.5 | -138.5 | 83.8 | 0 | 0 | 0 | 106.7 | K83 K87 | K83-H85 PolarHBondContact O-N 3.4Å; H85-K87 PolarHBondContact O-N 3.34Å |
| 86 | K | 68.6 | Low | 64 | Low | 183 Ų | 183 | 137.9 Ų | 137.9 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | | | trans | -64 | 107.5 | 173.5 | -172.4 | 174.3 | -179.1 | 179.2 | 0 | 106.6 | R84 T88 | R84-K86 PolarHBondContact O-N 3.13Å; K86-T88 VanDerWaalsContact C-N 3.32Å; K86-T88 PolarHBondContact O-N 3.38Å |
| 87 | K | 65.9 | Low | 64.7 | Low | 191 Ų | 191 | 142.6 Ų | 142.6 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | | | trans | -66.5 | 96.1 | 169 | -73.4 | -171.4 | 176.3 | -175.3 | 0 | 107.4 | H85 M89 | H85-K87 PolarHBondContact O-N 3.34Å; K87-M89 PolarHBondContact O-N 3.47Å |
| 88 | T | 66.6 | Low | 64.9 | Low | 94 Ų | 94 | 140.4 Ų | 140.4 | 58% | 0.577 | 74% | 0.743 | S | S | * | * | | | trans | -70.9 | 98.2 | 165.8 | -58.9 | 0 | 0 | 0 | 0 | 106.8 | K86 N90 | K86-T88 VanDerWaalsContact C-N 3.32Å; K86-T88 PolarHBondContact O-N 3.38Å; T88-N90 HydrophobicContact CG2-CB 4.4Å; T88-N90 WeakPolarHBondContact CG2-OD1 3.34Å; T88-N90 PolarHBondContact O-N 3.31Å |
| 89 | M | 70.8 | Confident | 65 | Low | 166 Ų | 166 | 141.7 Ų | 141.7 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | -69.1 | 72.4 | 167.9 | -84.9 | -82.5 | -54.3 | 0 | 0 | 108.8 | K87 S91 | K87-M89 PolarHBondContact O-N 3.47Å; M89-S91 VanDerWaalsContact C-N 3.25Å; M89-S91 PolarHBondContact O-N 3.25Å |
| 90 | N | 62.7 | Low | 64.7 | Low | 107 Ų | 107 | 143.9 Ų | 143.9 | 57% | 0.572 | 74% | 0.744 | S | S | * | * | | | trans | -78.8 | 85.2 | 164.6 | -81.5 | -17.6 | 0 | 0 | 0 | 107.4 | T88 H92 | T88-N90 HydrophobicContact CG2-CB 4.4Å; T88-N90 WeakPolarHBondContact CG2-OD1 3.34Å; T88-N90 PolarHBondContact O-N 3.31Å; N90-H92 WeakPolarHBondContact CB-NE2 3.47Å; N90-H92 PolarHBondContact O-N 3.42Å |
| 91 | S | 61.8 | Low | 64.4 | Low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | | | trans | -68.8 | 88 | 162.4 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | M89 H93 | M89-S91 VanDerWaalsContact C-N 3.25Å; M89-S91 PolarHBondContact O-N 3.25Å; S91-H93 PolarHBondContact O-N 2.88Å; S91-H93 VanDerWaalsContact O-N 3.1Å |
| 92 | H | 64.6 | Low | 63.8 | Low | 146 Ų | 146 | 148.4 Ų | 148.4 | 68% | 0.676 | 75% | 0.75 | S | S | * | * | | | trans | -80.6 | 78.7 | 167.1 | -66 | -54.4 | 0 | 0 | 0 | 107.9 | N90 S94 | N90-H92 WeakPolarHBondContact CB-NE2 3.47Å; N90-H92 PolarHBondContact O-N 3.42Å; H92-S94 PolarHBondContact O-N 2.98Å |
| 93 | H | 65.6 | Low | 63.1 | Low | 165 Ų | 165 | 147.4 Ų | 147.4 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | | | trans | -66.4 | 95.1 | 156 | -171.3 | 62.3 | 0 | 0 | 0 | 106.7 | S91 | S91-H93 PolarHBondContact O-N 2.88Å; S91-H93 VanDerWaalsContact O-N 3.1Å |
| 94 | S | 59.8 | Low | 62.8 | Low | 85 Ų | 85 | 142.4 Ų | 142.4 | 59% | 0.594 | 74% | 0.736 | S | S | * | * | | | trans | -62.6 | 132.8 | 172.3 | -62 | 0 | 0 | 0 | 0 | 107.5 | H92 T96 | H92-S94 PolarHBondContact O-N 2.98Å; S94-T96 PolarHBondContact O-N 3.4Å |
| 95 | P | 66.5 | Low | 62.5 | Low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | | | trans | -59.9 | 117.8 | 164.5 | -15.3 | 27.9 | 0 | 0 | 0 | 106.8 | R97 | P95-R97 PolarHBondContact O-N 3.03Š|
| 96 | T | 66.3 | Low | 61.9 | Low | 129 Ų | 129 | 131.3 Ų | 131.3 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | | | trans | -53.7 | 105.7 | 168.6 | -59.3 | 0 | 0 | 0 | 0 | 107 | S94 P98 | S94-T96 PolarHBondContact O-N 3.4Å; T96-P98 WeakPolarHBondContact O-CD 3.45Å |
| 97 | R | 61.5 | Low | 61.5 | Low | 211 Ų | 211 | 131.7 Ų | 131.7 | 80% | 0.796 | 72% | 0.715 | S | S | * | * | | | trans | -58.6 | 124.8 | 179.5 | -158.7 | 176.4 | -167.9 | -97.6 | 4.1 | 106.3 | P95 T99 | P95-R97 PolarHBondContact O-N 3.03Å; R97-T99 PolarHBondContact O-N 3.16Å |
| 98 | P | 56.8 | Low | 61.3 | Low | 100 Ų | 100 | 129.3 Ų | 129.3 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | | | trans | -60.3 | 117 | 170.5 | 1.5 | 3.1 | 0 | 0 | 0 | 106.7 | T96 I100 | T96-P98 WeakPolarHBondContact O-CD 3.45Å; P98-I100 PolarHBondContact O-N 3.38Å |
| 99 | T | 57.7 | Low | 61.1 | Low | 123 Ų | 123 | 133.9 Ų | 133.9 | 76% | 0.755 | 72% | 0.718 | S | S | * | * | | | trans | -61 | 95.4 | 161.9 | -60.1 | 0 | 0 | 0 | 0 | 105.1 | R97 L101 | R97-T99 PolarHBondContact O-N 3.16Å; T99-L101 HydrophobicContact CG2-CG 4.42Å; T99-L101 PolarHBondContact O-N 3Å |
| 100 | I | 57.2 | Low | 60.9 | Low | 140 Ų | 140 | 134.5 Ų | 134.5 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | | | trans | -65.5 | 86.6 | 169.6 | -57.3 | -179.8 | 0 | 0 | 0 | 105 | P98 H102 | P98-I100 PolarHBondContact O-N 3.38Å; I100-H102 PolarHBondContact O-N 3.16Å |
| 101 | L | 61.6 | Low | 60.8 | Low | 148 Ų | 148 | 136.4 Ų | 136.4 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | | | trans | -56 | 110.1 | 162 | -85.2 | 156.5 | 0 | 0 | 0 | 105.2 | T99 S103 | T99-L101 HydrophobicContact CG2-CG 4.42Å; T99-L101 PolarHBondContact O-N 3Å; L101-S103 PolarHBondContact O-N 3.47Å |
| 102 | H | 59.3 | Low | 60.7 | Low | 164 Ų | 164 | 134.9 Ų | 134.9 | 76% | 0.759 | 71% | 0.71 | S | S | * | * | | | trans | -71.1 | 72.1 | -177.2 | -157.3 | -96.5 | 0 | 0 | 0 | 108.7 | I100 S104 | I100-H102 PolarHBondContact O-N 3.16Å; H102-S104 VanDerWaalsContact C-N 3.25Å; H102-S104 PolarHBondContact O-N 3.3Å |
| 103 | S | 55.9 | Low | 60.3 | Low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 71% | 0.709 | S | S | * | * | | | trans | -78.8 | 77 | 174.7 | 156.5 | 0 | 0 | 0 | 0 | 108.4 | L101 C105 | L101-S103 PolarHBondContact O-N 3.47Å; S103-C105 VanDerWaalsContact C-N 3.28Å; S103-C105 PolarHBondContact O-N 3.03Å; S103-C105 VanDerWaalsContact O-N 3.09Å |
| 104 | S | 58.9 | Low | 59.9 | Low | 92 Ų | 92 | 129.8 Ų | 129.8 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | | | trans | -79.6 | 80.1 | 166.1 | 61.7 | 0 | 0 | 0 | 0 | 109.4 | H102 P106 | H102-S104 VanDerWaalsContact C-N 3.25Å; H102-S104 PolarHBondContact O-N 3.3Å; S104-P106 WeakPolarHBondContact O-CD 3.38Å |
| 105 | C | 57.9 | Low | 59.8 | Low | 109 Ų | 109 | 133.7 Ų | 133.7 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | | | trans | -100.5 | 94.9 | 167.3 | -102.6 | 0 | 0 | 0 | 0 | 109.3 | S103 K107 | S103-C105 VanDerWaalsContact C-N 3.28Å; S103-C105 PolarHBondContact O-N 3.03Å; S103-C105 VanDerWaalsContact O-N 3.09Å; C105-K107 PolarHBondContact O-N 3.21Å |
| 106 | P | 54.7 | Low | 59.3 | Low | 84 Ų | 84 | 133.9 Ų | 133.9 | 55% | 0.545 | 70% | 0.704 | S | S | . | * | | | trans | -79.1 | 73.6 | 171.9 | 33.6 | -33.5 | 0 | 0 | 0 | 109.6 | S104 N108 R109 | S104-P106 WeakPolarHBondContact O-CD 3.38Å; P106-N108 PolarHBondContact O-N 3.38Å; P106-R109 HydrophobicContact CB-CG 4.36Å |
| 107 | K | 58.7 | Low | 59.1 | Low | 190 Ų | 190 | 132.2 Ų | 132.2 | 83% | 0.826 | 69% | 0.69 | S | S | * | * | | | trans | -73.2 | 114.8 | 161.8 | -108.5 | 175.7 | 175.7 | 177 | 0 | 107 | C105 | C105-K107 PolarHBondContact O-N 3.21Š|
| 108 | N | 63.3 | Low | 59.5 | Low | 141 Ų | 141 | 130.3 Ų | 130.3 | 75% | 0.754 | 69% | 0.688 | S | S | * | * | | | trans | 96 | 62.5 | -174.8 | -57.3 | -69.5 | 0 | 0 | 0 | 116.4 | P106 K110 | P106-N108 PolarHBondContact O-N 3.38Å; N108-K110 PolarHBondContact O-N 3.23Å |
| 109 | R | 61.1 | Low | 60.2 | Low | 190 Ų | 190 | 133 Ų | 133 | 72% | 0.717 | 69% | 0.689 | S | S | * | * | | | trans | -81.5 | 89.8 | 154.9 | -75 | -174.3 | 168.3 | 173.8 | -0.6 | 109.5 | P106 L112 | P106-R109 HydrophobicContact CB-CG 4.36Å; R109-L112 HydrophobicContact CG-CD1 4.33Å |
| 110 | K | 66.6 | Low | 61.1 | Low | 179 Ų | 179 | 134.3 Ų | 134.3 | 78% | 0.778 | 68% | 0.684 | S | S | * | * | | | trans | -72.3 | 137.5 | 156.6 | -55.7 | -176.2 | -177.1 | -174.5 | 0 | 107.1 | N108 L112 | N108-K110 PolarHBondContact O-N 3.23Å; K110-L112 PolarHBondContact O-N 3.31Å |
| 111 | N | 61 | Low | 62 | Low | 147 Ų | 147 | 132.4 Ų | 132.4 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | | | trans | -35.9 | 114.5 | -164.1 | -73.6 | -49.9 | 0 | 0 | 0 | 115 | E113 | N111-E113 PolarHBondContact O-N 3Å; N111-E113 VanDerWaalsContact O-N 3.16Å |
| 112 | L | 59.8 | Low | 63 | Low | 71 Ų | 71 | 128.1 Ų | 128.1 | 37% | 0.372 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.6 | 10.4 | 177.9 | -99.2 | 154.5 | 0 | 0 | 0 | 113.4 | R109 K110 G114 K115 L116 | R109-L112 HydrophobicContact CG-CD1 4.33Å; K110-L112 PolarHBondContact O-N 3.31Å; L112-G114 VanDerWaalsContact C-N 3.25Å; L112-G114 PolarHBondContact O-N 3.34Å; L112-K115 HydrophobicContact CD2-CB 3.83Å; L112-K115 HydrophobicContact CD2-CD 4.24Å; L112-K115 PolarHBondContact O-N 3.27Å; L112-L116 HydrophobicContact CB-CD1 4.5Å; L112-L116 HydrophobicContact CB-CG 4.49Å; L112-L116 PolarHBondContact O-N 3.35Å |
| 113 | E | 55.8 | Low | 64 | Low | 142 Ų | 142 | 126.7 Ų | 126.7 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.2 | -32.3 | -169.1 | -149.4 | 156.9 | 131.2 | 0 | 0 | 112.5 | N111 N117 | N111-E113 PolarHBondContact O-N 3Å; N111-E113 VanDerWaalsContact O-N 3.16Å; E113-N117 PolarHBondContact O-ND2 3.35Å |
| 114 | G | 58.1 | Low | 65.4 | Low | 62 Ų | 62 | 129.6 Ų | 129.6 | 64% | 0.639 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -74.2 | -30.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L112 | L112-G114 VanDerWaalsContact C-N 3.25Å; L112-G114 PolarHBondContact O-N 3.34Å |
| 115 | K | 57.4 | Low | 66.6 | Low | 167 Ų | 167 | 130 Ų | 130 | 73% | 0.726 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -88 | -28 | -168.2 | -144 | 175.3 | -175.8 | 178.3 | 0 | 113.2 | L112 | L112-K115 HydrophobicContact CD2-CB 3.83Å; L112-K115 HydrophobicContact CD2-CD 4.24Å; L112-K115 PolarHBondContact O-N 3.27Å |
| 116 | L | 55.9 | Low | 67.8 | Low | 120 Ų | 120 | 130.1 Ų | 130.1 | 63% | 0.628 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -75.3 | -30.7 | 176 | -53.8 | 176.3 | 0 | 0 | 0 | 111.6 | L112 K120 | L112-L116 HydrophobicContact CB-CD1 4.5Å; L112-L116 HydrophobicContact CB-CG 4.49Å; L112-L116 PolarHBondContact O-N 3.35Å; L116-K120 PolarHBondContact O-N 3.1Å |
| 117 | N | 61.2 | Low | 69.2 | Low | 94 Ų | 94 | 132.7 Ų | 132.7 | 50% | 0.503 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -71.3 | -32.2 | -178.9 | -73.8 | -20.9 | 0 | 0 | 0 | 113.3 | E113 K119 K120 M121 | E113-N117 PolarHBondContact O-ND2 3.35Å; N117-K119 PolarHBondContact O-N 3.09Å; N117-K120 PolarHBondContact O-N 3Å; N117-M121 WeakPolarHBondContact O-CB 3.35Å; N117-M121 PolarHBondContact O-N 2.94Å |
| 118 | K | 70 | Confident | 70.4 | Confident | 171 Ų | 171 | 127.8 Ų | 127.8 | 74% | 0.743 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.1 | -42.9 | 177.7 | -169.5 | 173.9 | -176.5 | 174 | 0 | 112.4 | M121 A122 | K118-M121 PolarHBondContact O-N 2.74Å; K118-A122 WeakPolarHBondContact O-CB 3.37Å; K118-A122 PolarHBondContact O-N 2.83Å |
| 119 | K | 73.3 | Confident | 71.1 | Confident | 157 Ų | 157 | 128.4 Ų | 128.4 | 68% | 0.683 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -69.7 | -37.5 | 179 | -169.9 | 174.8 | -178.5 | 177.6 | 0 | 111.8 | N117 K123 | N117-K119 PolarHBondContact O-N 3.09Å; K119-K123 PolarHBondContact O-N 3.38Å |
| 120 | K | 76.1 | Confident | 71.9 | Confident | 150 Ų | 150 | 125.1 Ų | 125.1 | 65% | 0.652 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.2 | -42.8 | 175.2 | -169.5 | 176.3 | -179.6 | 179.9 | 0 | 111.4 | L116 N117 K123 R124 | L116-K120 PolarHBondContact O-N 3.1Å; N117-K120 PolarHBondContact O-N 3Å; K120-K123 PolarHBondContact O-N 2.75Å; K120-R124 PolarHBondContact O-N 3.09Å; K120-R124 VanDerWaalsContact O-N 3.13Å |
| 121 | M | 76.1 | Confident | 72.3 | Confident | 100 Ų | 100 | 120.8 Ų | 120.8 | 49% | 0.493 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.2 | -42.3 | 177.4 | -171.2 | 59.8 | 179.6 | 0 | 0 | 112.2 | N117 K118 K123 R124 I125 | N117-M121 WeakPolarHBondContact O-CB 3.35Å; N117-M121 PolarHBondContact O-N 2.94Å; K118-M121 PolarHBondContact O-N 2.74Å; M121-K123 VanDerWaalsContact C-N 3.32Å; M121-K123 PolarHBondContact O-N 2.83Å; M121-R124 PolarHBondContact O-N 3.49Å; M121-R124 VanDerWaalsContact O-N 3.16Å; M121-I125 HydrophobicContact CE-CD1 4.02Å; M121-I125 HydrophobicContact CE-CG1 4.09Å; M121-I125 HydrophobicContact CG-CD1 3.98Å; M121-I125 HydrophobicContact CG-CG1 4.5Å; M121-I125 WeakPolarHBondContact O-CG1 3.41Å; M121-I125 PolarHBondContact O-N 2.03Å |
| 122 | A | 81.9 | Confident | 72.9 | Confident | 58 Ų | 58 | 121 Ų | 121 | 48% | 0.479 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -59.4 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K118 I125 Q126 | K118-A122 WeakPolarHBondContact O-CB 3.37Å; K118-A122 PolarHBondContact O-N 2.83Å; A122-I125 PolarHBondContact O-N 2.88Å; A122-Q126 WeakPolarHBondContact O-CB 3.45Å; A122-Q126 PolarHBondContact O-N 2.97Å |
| 123 | K | 81.3 | Confident | 73.4 | Confident | 133 Ų | 133 | 124.5 Ų | 124.5 | 58% | 0.578 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.1 | -43.2 | 174.7 | -73.9 | -174.6 | 174.5 | -169.7 | 0 | 112.2 | K119 K120 M121 Q126 Q127 | K119-K123 PolarHBondContact O-N 3.38Å; K120-K123 PolarHBondContact O-N 2.75Å; M121-K123 VanDerWaalsContact C-N 3.32Å; M121-K123 PolarHBondContact O-N 2.83Å; K123-Q126 PolarHBondContact O-N 3.05Å; K123-Q127 PolarHBondContact O-N 3.18Å |
| 124 | R | 84.3 | Confident | 73.9 | Confident | 165 Ų | 165 | 127.8 Ų | 127.8 | 62% | 0.623 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -61.3 | -47.7 | 177.3 | -177.1 | -177.6 | -84 | -177.6 | -7.7 | 111.4 | K120 M121 Q126 Q127 V128 | K120-R124 PolarHBondContact O-N 3.09Å; K120-R124 VanDerWaalsContact O-N 3.13Å; M121-R124 PolarHBondContact O-N 3.49Å; M121-R124 VanDerWaalsContact O-N 3.16Å; R124-Q126 VanDerWaalsContact C-N 3.33Å; R124-Q126 PolarHBondContact O-N 2.9Å; R124-Q127 PolarHBondContact O-N 2.94Å; R124-V128 WeakPolarHBondContact O-CG2 3.4Å; R124-V128 PolarHBondContact O-N 3.05Å |
| 125 | I | 83.9 | Confident | 74.1 | Confident | 100 Ų | 100 | 128.7 Ų | 128.7 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -60.4 | -44 | 178 | -66.2 | 165.3 | 0 | 0 | 0 | 110.8 | M121 A122 Q127 V128 Y129 | M121-I125 HydrophobicContact CE-CD1 4.02Å; M121-I125 HydrophobicContact CE-CG1 4.09Å; M121-I125 HydrophobicContact CG-CD1 3.98Å; M121-I125 HydrophobicContact CG-CG1 4.5Å; M121-I125 WeakPolarHBondContact O-CG1 3.41Å; M121-I125 PolarHBondContact O-N 2.03Å; A122-I125 PolarHBondContact O-N 2.88Å; I125-Q127 VanDerWaalsContact C-N 3.35Å; I125-Q127 PolarHBondContact O-N 3.2Å; I125-V128 PolarHBondContact O-N 3.41Å; I125-Y129 WeakPolarHBondContact O-CB 3.18Å; I125-Y129 PolarHBondContact O-N 2.97Å |
| 126 | Q | 84.2 | Confident | 74.2 | Confident | 112 Ų | 112 | 125.4 Ų | 125.4 | 52% | 0.523 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.2 | -38.4 | 179.1 | -166.9 | -177.9 | 39.2 | 0 | 0 | 112.5 | A122 K123 R124 K130 | A122-Q126 WeakPolarHBondContact O-CB 3.45Å; A122-Q126 PolarHBondContact O-N 2.97Å; K123-Q126 PolarHBondContact O-N 3.05Å; R124-Q126 VanDerWaalsContact C-N 3.33Å; R124-Q126 PolarHBondContact O-N 2.9Å; Q126-K130 WeakPolarHBondContact O-CG 3.46Å; Q126-K130 PolarHBondContact O-N 3.29Å |
| 127 | Q | 82.8 | Confident | 74.5 | Confident | 137 Ų | 137 | 122.9 Ų | 122.9 | 64% | 0.64 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -64.8 | -47.5 | 174.5 | -77.7 | -171 | -23 | 0 | 0 | 111.8 | K123 R124 I125 Y129 K130 T131 | K123-Q127 PolarHBondContact O-N 3.18Å; R124-Q127 PolarHBondContact O-N 2.94Å; I125-Q127 VanDerWaalsContact C-N 3.35Å; I125-Q127 PolarHBondContact O-N 3.2Å; Q127-Y129 VanDerWaalsContact C-N 3.32Å; Q127-Y129 PolarHBondContact O-N 2.95Å; Q127-K130 PolarHBondContact O-N 3.22Å; Q127-T131 PolarHBondContact O-N 3.36Å; Q127-T131 PolarHBondContact O-OG1 2.9Å; Q127-T131 VanDerWaalsContact O-OG1 3.14Å |
| 128 | V | 83.7 | Confident | 74.5 | Confident | 87 Ų | 87 | 129.2 Ų | 129.2 | 53% | 0.527 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -60.4 | -41.6 | 177.6 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | R124 I125 T131 K132 | R124-V128 WeakPolarHBondContact O-CG2 3.4Å; R124-V128 PolarHBondContact O-N 3.05Å; I125-V128 PolarHBondContact O-N 3.41Å; V128-T131 WeakPolarHBondContact CA-OG1 3.09Å; V128-T131 PolarHBondContact O-N 3.48Å; V128-T131 PolarHBondContact O-OG1 3.1Å; V128-K132 WeakPolarHBondContact O-CB 3.44Å; V128-K132 PolarHBondContact O-N 3.11Å |
| 129 | Y | 79.7 | Confident | 73.9 | Confident | 154 Ų | 154 | 130.4 Ų | 130.4 | 60% | 0.604 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.8 | -44 | 175.7 | 177 | -98.7 | 0 | 0 | 0 | 112 | I125 Q127 K133 | I125-Y129 WeakPolarHBondContact O-CB 3.18Å; I125-Y129 PolarHBondContact O-N 2.97Å; Q127-Y129 VanDerWaalsContact C-N 3.32Å; Q127-Y129 PolarHBondContact O-N 2.95Å; Y129-K133 WeakPolarHBondContact O-CB 3.48Å; Y129-K133 PolarHBondContact O-N 2.85Å |
| 130 | K | 77.6 | Confident | 73.4 | Confident | 121 Ų | 121 | 128.2 Ų | 128.2 | 53% | 0.526 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.4 | -42.4 | 177.2 | -76.4 | -179.8 | 176.4 | -174.7 | 0 | 112.5 | Q126 Q127 R134 | Q126-K130 WeakPolarHBondContact O-CG 3.46Å; Q126-K130 PolarHBondContact O-N 3.29Å; Q127-K130 PolarHBondContact O-N 3.22Å; K130-R134 WeakPolarHBondContact O-CG 3.43Å; K130-R134 PolarHBondContact O-N 3.29Å; K130-R134 VanDerWaalsContact O-N 3.15Å |
| 131 | T | 74.7 | Confident | 72.4 | Confident | 88 Ų | 88 | 132 Ų | 132 | 54% | 0.54 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68.2 | -43.3 | 178.6 | 48.7 | 0 | 0 | 0 | 0 | 111.5 | Q127 V128 K133 R134 S135 | Q127-T131 PolarHBondContact O-N 3.36Å; Q127-T131 PolarHBondContact O-OG1 2.9Å; Q127-T131 VanDerWaalsContact O-OG1 3.14Å; V128-T131 WeakPolarHBondContact CA-OG1 3.09Å; V128-T131 PolarHBondContact O-N 3.48Å; V128-T131 PolarHBondContact O-OG1 3.1Å; T131-K133 VanDerWaalsContact C-N 3.32Å; T131-K133 PolarHBondContact O-N 2.99Å; T131-R134 PolarHBondContact O-N 3.13Å; T131-R134 VanDerWaalsContact O-N 3.09Å; T131-S135 PolarHBondContact O-N 3.04Å; T131-S135 PolarHBondContact O-OG 3.49Å |
| 132 | K | 73.1 | Confident | 72.2 | Confident | 151 Ų | 151 | 133.6 Ų | 133.6 | 66% | 0.657 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -59 | -41.8 | 175.4 | -174.4 | -179.8 | 177.9 | -178.4 | 0 | 112.2 | V128 R134 S135 S136 | V128-K132 WeakPolarHBondContact O-CB 3.44Å; V128-K132 PolarHBondContact O-N 3.11Å; K132-R134 VanDerWaalsContact C-N 3.3Å; K132-R134 PolarHBondContact O-N 2.92Å; K132-S135 PolarHBondContact O-N 2.92Å; K132-S135 PolarHBondContact O-OG 2.99Å; K132-S135 VanDerWaalsContact O-OG 3.08Å; K132-S136 WeakPolarHBondContact O-CB 3.1Å; K132-S136 PolarHBondContact O-N 3Å; K132-S136 PolarHBondContact O-OG 2.98Å |
| 133 | K | 71.3 | Confident | 71.7 | Confident | 146 Ų | 146 | 137.6 Ų | 137.6 | 64% | 0.635 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -65.7 | -31.9 | 176.3 | -172 | 177 | -179.8 | 177.9 | 0 | 112.7 | Y129 T131 S136 | Y129-K133 WeakPolarHBondContact O-CB 3.48Å; Y129-K133 PolarHBondContact O-N 2.85Å; T131-K133 VanDerWaalsContact C-N 3.32Å; T131-K133 PolarHBondContact O-N 2.99Å; K133-S136 PolarHBondContact O-OG 3.07Å; K133-S136 VanDerWaalsContact O-OG 3.11Å |
| 134 | R | 65.3 | Low | 71.2 | Confident | 211 Ų | 211 | 137.8 Ų | 137.8 | 80% | 0.796 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -76.8 | -34.4 | 176.1 | -76.9 | -177.8 | 170.1 | 174.7 | -4.3 | 112.6 | K130 T131 K132 | K130-R134 WeakPolarHBondContact O-CG 3.43Å; K130-R134 PolarHBondContact O-N 3.29Å; K130-R134 VanDerWaalsContact O-N 3.15Å; T131-R134 PolarHBondContact O-N 3.13Å; T131-R134 VanDerWaalsContact O-N 3.09Å; K132-R134 VanDerWaalsContact C-N 3.3Å; K132-R134 PolarHBondContact O-N 2.92Å |
| 135 | S | 61.9 | Low | 70.4 | Confident | 81 Ų | 81 | 136.2 Ų | 136.2 | 57% | 0.566 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -79.8 | -23.6 | 179.1 | 63.1 | 0 | 0 | 0 | 0 | 113.2 | T131 K132 G137 R138 | T131-S135 PolarHBondContact O-N 3.04Å; T131-S135 PolarHBondContact O-OG 3.49Å; K132-S135 PolarHBondContact O-N 2.92Å; K132-S135 PolarHBondContact O-OG 2.99Å; K132-S135 VanDerWaalsContact O-OG 3.08Å; S135-G137 PolarHBondContact O-N 2.92Å; S135-G137 VanDerWaalsContact O-N 3.12Å; S135-R138 PolarHBondContact O-N 2.84Å |
| 136 | S | 60.3 | Low | 69.5 | Low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -0.3 | 178.4 | 65.3 | 0 | 0 | 0 | 0 | 114.7 | K132 K133 | K132-S136 WeakPolarHBondContact O-CB 3.1Å; K132-S136 PolarHBondContact O-N 3Å; K132-S136 PolarHBondContact O-OG 2.98Å; K133-S136 PolarHBondContact O-OG 3.07Å; K133-S136 VanDerWaalsContact O-OG 3.11Å |
| 137 | G | 62.1 | Low | 68.6 | Low | 67 Ų | 67 | 140.3 Ų | 140.3 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.1 | -3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | S135 K139 | S135-G137 PolarHBondContact O-N 2.92Å; S135-G137 VanDerWaalsContact O-N 3.12Å; G137-K139 PolarHBondContact O-N 3.05Å |
| 138 | R | 61.6 | Low | 67.6 | Low | 227 Ų | 227 | 140.5 Ų | 140.5 | 86% | 0.857 | 71% | 0.71 | S | S | * | * | | | trans | -99.2 | 75.5 | 171.4 | -88.6 | -176.5 | 139.7 | -153.5 | -4.1 | 109.1 | S135 S140 | S135-R138 PolarHBondContact O-N 2.84Å; R138-S140 PolarHBondContact O-N 2.95Å |
| 139 | K | 57.4 | Low | 66.3 | Low | 196 Ų | 196 | 144.6 Ų | 144.6 | 85% | 0.852 | 72% | 0.724 | S | S | * | * | | | trans | -80.6 | 102.6 | 155.2 | -154.3 | 174.4 | -177.7 | -176.8 | 0 | 104.4 | G137 N141 | G137-K139 PolarHBondContact O-N 3.05Å; K139-N141 PolarHBondContact O-N 2.95Å |
| 140 | S | 61.4 | Low | 65.2 | Low | 110 Ų | 110 | 143.8 Ų | 143.8 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | | | trans | -65.6 | 111.3 | 168 | 44.9 | 0 | 0 | 0 | 0 | 107.8 | R138 | R138-S140 PolarHBondContact O-N 2.95Š|
| 141 | N | 55.8 | Low | 64.1 | Low | 230 Ų | 230 | 145.9 Ų | 145.9 | 100% | 1.23 | 75% | 0.753 | S | S | * | * | | | trans | -149.6 | 0 | 148.4 | -101.9 | -11 | 0 | 0 | 0 | 106.1 | K139 | K139-N141 PolarHBondContact O-N 2.95Š|