| 1 | M | 34.8 | Very low | 44.5 | Very low | 242 Ų | 242 | 142.5 Ų | 142.5 | 100% | 1.192 | 81% | 0.808 | S | S | * | * | | | | 0 | 121 | 0 | -163.5 | 179.1 | 92.4 | 0 | 0 | 106 | | |
| 2 | A | 36.5 | Very low | 45 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | | | trans | 60.4 | 94.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 3 | D | 41.2 | Very low | 45.2 | Very low | 160 Ų | 160 | 135.9 Ų | 135.9 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | -63.8 | 137.8 | 156 | -42.1 | -84.4 | 0 | 0 | 0 | 109.7 | | |
| 4 | C | 37 | Very low | 45.2 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 90% | 0.899 | 75% | 0.751 | S | S | * | * | | | trans | -155.6 | 59.7 | 176.4 | -105.2 | 0 | 0 | 0 | 0 | 113.6 | | |
| 5 | A | 40.8 | Very low | 45.4 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | -120.3 | 154 | 143.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 6 | P | 47.9 | Very low | 46 | Very low | 116 Ų | 116 | 129.7 Ų | 129.7 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | | | cis | -120 | 151.6 | 8.3 | 39.4 | -27.2 | 0 | 0 | 0 | 114.4 | | |
| 7 | L | 48.9 | Very low | 46 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 73% | 0.73 | S | S | * | * | | | trans | -150.1 | 45.9 | 171.3 | -77.7 | -178.3 | 0 | 0 | 0 | 113 | | |
| 8 | L | 51.6 | Low | 46.1 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 70% | 0.702 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -133.5 | 13.4 | -179.4 | -76.5 | 177 | 0 | 0 | 0 | 115.9 | | |
| 9 | D | 51.8 | Low | 46.1 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -106.6 | -40.1 | -179.7 | -153.8 | 30.4 | 0 | 0 | 0 | 112.7 | E11 | D9-E11 VanDerWaalsContact C-N 3.35Å; D9-E11 PolarHBondContact O-N 3.32Å |
| 10 | E | 48.8 | Very low | 46.1 | Very low | 167 Ų | 167 | 130.9 Ų | 130.9 | 78% | 0.78 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -65.9 | -32.8 | 176.7 | -63.5 | -168.2 | 128.5 | 0 | 0 | 113.4 | S13 S14 | E10-S13 PolarHBondContact O-N 3.12Å; E10-S14 PolarHBondContact O-N 3.32Å; E10-S14 VanDerWaalsContact O-N 3.12Å |
| 11 | E | 50.1 | Low | 46.1 | Very low | 136 Ų | 136 | 128.9 Ų | 128.9 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -73.8 | -37.4 | -174.2 | -164 | 165.8 | -152.6 | 0 | 0 | 112.4 | D9 S14 F15 | D9-E11 VanDerWaalsContact C-N 3.35Å; D9-E11 PolarHBondContact O-N 3.32Å; E11-S14 PolarHBondContact O-N 3.16Å; E11-S14 PolarHBondContact O-OG 2.75Å; E11-F15 PolarHBondContact O-N 3.17Å |
| 12 | L | 51 | Low | 46.4 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 62% | 0.623 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -62.6 | -43.5 | 173.4 | -94.4 | 73 | 0 | 0 | 0 | 111.6 | S14 F15 V16 | L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.26Å; L12-F15 PolarHBondContact O-N 2.94Å; L12-V16 PolarHBondContact O-N 3.31Å |
| 13 | S | 46.9 | Very low | 46.6 | Very low | 81 Ų | 81 | 128 Ų | 128 | 57% | 0.566 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -60.6 | -40.7 | 177.5 | -168.4 | 0 | 0 | 0 | 0 | 111.6 | E10 F15 F17 | E10-S13 PolarHBondContact O-N 3.12Å; S13-F15 PolarHBondContact O-N 2.59Å; S13-F17 PolarHBondContact O-N 3.14Å |
| 14 | S | 46.1 | Very low | 46.6 | Very low | 63 Ų | 63 | 125.9 Ų | 125.9 | 44% | 0.441 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -63.4 | -37.7 | 176.8 | 82.4 | 0 | 0 | 0 | 0 | 113.7 | E10 E11 L12 F17 S18 | E10-S14 PolarHBondContact O-N 3.32Å; E10-S14 VanDerWaalsContact O-N 3.12Å; E11-S14 PolarHBondContact O-N 3.16Å; E11-S14 PolarHBondContact O-OG 2.75Å; L12-S14 VanDerWaalsContact C-N 3.3Å; L12-S14 PolarHBondContact O-N 3.26Å; S14-F17 PolarHBondContact O-N 3.07Å; S14-S18 PolarHBondContact O-N 3.01Å; S14-S18 VanDerWaalsContact O-N 3.12Å; S14-S18 PolarHBondContact O-OG 3.28Å |
| 15 | F | 47.8 | Very low | 46.2 | Very low | 150 Ų | 150 | 122.6 Ų | 122.6 | 66% | 0.658 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -68.4 | -39.3 | -176.9 | -166.1 | -97.7 | 0 | 0 | 0 | 112.2 | E11 L12 S13 Y19 | E11-F15 PolarHBondContact O-N 3.17Å; L12-F15 PolarHBondContact O-N 2.94Å; S13-F15 PolarHBondContact O-N 2.59Å; F15-Y19 PolarHBondContact O-N 3.2Å |
| 16 | V | 55.2 | Low | 46 | Very low | 95 Ų | 95 | 124 Ų | 124 | 58% | 0.576 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.4 | -40.3 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | L12 | L12-V16 PolarHBondContact O-N 3.31Å |
| 17 | F | 45.9 | Very low | 45.3 | Very low | 152 Ų | 152 | 125.7 Ų | 125.7 | 67% | 0.667 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -74.5 | -34.4 | -175.7 | -138.7 | -87 | 0 | 0 | 0 | 113.6 | S13 S14 T21 | S13-F17 PolarHBondContact O-N 3.14Å; S14-F17 PolarHBondContact O-N 3.07Å; F17-T21 PolarHBondContact O-OG1 3.47Å |
| 18 | S | 46.7 | Very low | 44.5 | Very low | 69 Ų | 69 | 124.7 Ų | 124.7 | 48% | 0.483 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -65.3 | -41.7 | 173.5 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | S14 L20 T21 E22 | S14-S18 PolarHBondContact O-N 3.01Å; S14-S18 VanDerWaalsContact O-N 3.12Å; S14-S18 PolarHBondContact O-OG 3.28Å; S18-L20 PolarHBondContact O-N 3.16Å; S18-T21 PolarHBondContact O-N 2.84Å; S18-E22 PolarHBondContact O-N 3.42Å |
| 19 | Y | 47.4 | Very low | 43.6 | Very low | 179 Ų | 179 | 121.5 Ų | 121.5 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -65.9 | -21.4 | -176.5 | -140.8 | -83.9 | 0 | 0 | 0 | 113.8 | F15 | F15-Y19 PolarHBondContact O-N 3.2Å |
| 20 | L | 46.6 | Very low | 42.8 | Very low | 142 Ų | 142 | 122.3 Ų | 122.3 | 74% | 0.743 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -87.5 | -15.4 | 172.6 | -74.7 | 167.6 | 0 | 0 | 0 | 113.7 | S18 | S18-L20 PolarHBondContact O-N 3.16Å |
| 21 | T | 45.3 | Very low | 42.3 | Very low | 89 Ų | 89 | 123.2 Ų | 123.2 | 55% | 0.546 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -106.2 | -29.2 | -171.9 | -47.5 | 0 | 0 | 0 | 0 | 113 | F17 S18 N23 | F17-T21 PolarHBondContact O-OG1 3.47Å; S18-T21 PolarHBondContact O-N 2.84Å; T21-N23 PolarHBondContact O-N 2.87Å |
| 22 | E | 40 | Very low | 41.9 | Very low | 167 Ų | 167 | 125.4 Ų | 125.4 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -10.4 | -175.7 | -162.9 | 169.3 | 173.3 | 0 | 0 | 114.2 | S18 S24 | S18-E22 PolarHBondContact O-N 3.42Å; E22-S24 PolarHBondContact O-N 3.33Å |
| 23 | N | 41.6 | Very low | 41.4 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 10.1 | -175.3 | -122.1 | 106.1 | 0 | 0 | 0 | 115.5 | T21 | T21-N23 PolarHBondContact O-N 2.87Š|
| 24 | S | 40.9 | Very low | 40.7 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -128.6 | 71.9 | -173.9 | -63.3 | 0 | 0 | 0 | 0 | 113.9 | E22 | E22-S24 PolarHBondContact O-N 3.33Š|
| 25 | G | 29.7 | Very low | 40.6 | Very low | 64 Ų | 64 | 129.6 Ų | 129.6 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | | | trans | 176.3 | 66.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 26 | S | 36.5 | Very low | 40.5 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | | | trans | 49.5 | 161.2 | 154.4 | 67.4 | 0 | 0 | 0 | 0 | 119.4 | | |
| 27 | Q | 32.9 | Very low | 40.2 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 71% | 0.71 | 73% | 0.731 | S | S | * | * | | | cis | -162.7 | 164.2 | 32.5 | -168.9 | 174.3 | 11.5 | 0 | 0 | 111.7 | | |
| 28 | Y | 31.5 | Very low | 40.4 | Very low | 137 Ų | 137 | 136 Ų | 136 | 54% | 0.537 | 74% | 0.74 | S | S | . | * | | | trans | 74.2 | 135.8 | -177.6 | -64 | -82.6 | 0 | 0 | 0 | 115.3 | S548 | Y28-S548 PolarHBondContact OH-N 3.5Š|
| 29 | G | 32.3 | Very low | 40.5 | Very low | 68 Ų | 68 | 140.5 Ų | 140.5 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | cis | -129.3 | 166.5 | 2.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 30 | E | 35.5 | Very low | 40.8 | Very low | 157 Ų | 157 | 138 Ų | 138 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | -91.3 | 135.5 | -175.1 | 47.6 | -87 | 82.7 | 0 | 0 | 113.9 | | |
| 31 | E | 38.5 | Very low | 40.8 | Very low | 186 Ų | 186 | 138.9 Ų | 138.9 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | | | trans | -136.4 | 114.9 | 155.5 | 57.1 | -174.1 | 131 | 0 | 0 | 110.2 | V33 | E31-V33 PolarHBondContact O-N 3.48Š|
| 32 | E | 41.3 | Very low | 41.1 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | | | trans | -84.9 | 108.6 | -172.6 | -62.3 | -175.7 | 138.8 | 0 | 0 | 111.4 | | |
| 33 | V | 40.3 | Very low | 42 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | | | trans | -105.7 | 102.8 | 169.2 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | E31 S35 | E31-V33 PolarHBondContact O-N 3.48Å; V33-S35 PolarHBondContact O-N 2.82Å; V33-S35 VanDerWaalsContact O-N 3.14Å |
| 34 | C | 33.7 | Very low | 42.4 | Very low | 101 Ų | 101 | 142 Ų | 142 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | | | trans | -69.2 | 104.2 | -174.5 | -56.5 | 0 | 0 | 0 | 0 | 112.9 | D36 | C34-D36 PolarHBondContact O-N 3.18Š|
| 35 | S | 42.7 | Very low | 43.4 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | | | trans | -77.9 | 13.9 | 175.1 | -57.5 | 0 | 0 | 0 | 0 | 115 | V33 | V33-S35 PolarHBondContact O-N 2.82Å; V33-S35 VanDerWaalsContact O-N 3.14Å |
| 36 | D | 45.9 | Very low | 44.8 | Very low | 153 Ų | 153 | 144.3 Ų | 144.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | trans | -108.4 | 28.9 | -166 | -159.9 | 36.5 | 0 | 0 | 0 | 113.5 | C34 | C34-D36 PolarHBondContact O-N 3.18Š|
| 37 | R | 49.2 | Very low | 45.9 | Very low | 215 Ų | 215 | 144.3 Ų | 144.3 | 81% | 0.811 | 76% | 0.76 | S | S | * | * | | | trans | -143.2 | 42.8 | -175 | -63.5 | -163.3 | 71.7 | 145.7 | 3.9 | 115.5 | | |
| 38 | L | 49.3 | Very low | 47.2 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | | | trans | -127.8 | 4.8 | 171.5 | -73.4 | 177 | 0 | 0 | 0 | 115.6 | T40 | L38-T40 PolarHBondContact O-N 2.86Š|
| 39 | D | 50.1 | Low | 48.3 | Very low | 164 Ų | 164 | 142.4 Ų | 142.4 | 88% | 0.877 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -93.7 | 68.7 | 170.3 | -76.2 | -32.9 | 0 | 0 | 0 | 111.2 | | |
| 40 | T | 52.6 | Low | 49.4 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 77% | 0.767 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -155.4 | 9.3 | 175 | -22.5 | 0 | 0 | 0 | 0 | 116.7 | L38 | L38-T40 PolarHBondContact O-N 2.86Š|
| 41 | D | 47.5 | Very low | 50.3 | Low | 161 Ų | 161 | 142.7 Ų | 142.7 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | | | trans | -144.3 | 44.5 | -177.3 | -109.6 | -38.3 | 0 | 0 | 0 | 113.8 | | |
| 42 | F | 50.3 | Low | 51.3 | Low | 193 Ų | 193 | 140.3 Ų | 140.3 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | | | trans | -113.4 | 131.7 | 156.6 | -78.6 | -84.9 | 0 | 0 | 0 | 108.6 | D44 | F42-D44 PolarHBondContact O-N 3.43Š|
| 43 | P | 60.8 | Low | 52 | Low | 111 Ų | 111 | 134.9 Ų | 134.9 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | | | trans | -69.6 | 128.5 | 168.1 | 29.5 | -32 | 0 | 0 | 0 | 108.8 | I45 | P43-I45 PolarHBondContact O-N 3.13Š|
| 44 | D | 49 | Very low | 52.8 | Low | 162 Ų | 162 | 135.6 Ų | 135.6 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | | | trans | -57.1 | 114.5 | 168.9 | -71.9 | -50.1 | 0 | 0 | 0 | 108.8 | F42 D46 | F42-D44 PolarHBondContact O-N 3.43Å; D44-D46 PolarHBondContact O-N 3.27Å; D44-D46 VanDerWaalsContact O-N 3.11Å |
| 45 | I | 62.4 | Low | 53.9 | Low | 143 Ų | 143 | 139.6 Ų | 139.6 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | | | trans | -75 | 104.8 | 175.8 | -61.2 | 175.7 | 0 | 0 | 0 | 106.4 | P43 L47 | P43-I45 PolarHBondContact O-N 3.13Å; I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 HydrophobicContact CG2-CD2 3.86Å; I45-L47 HydrophobicContact CG2-CG 4.27Å; I45-L47 PolarHBondContact O-N 3.15Å |
| 46 | D | 58.2 | Low | 54.2 | Low | 85 Ų | 85 | 139.6 Ų | 139.6 | 46% | 0.455 | 73% | 0.733 | S | S | . | * | | | trans | -72 | 81.6 | -177.1 | -177 | 14.7 | 0 | 0 | 0 | 111.6 | D44 S48 Q49 | D44-D46 PolarHBondContact O-N 3.27Å; D44-D46 VanDerWaalsContact O-N 3.11Å; D46-S48 VanDerWaalsContact CG-OG 3.3Å; D46-S48 PolarHBondContact O-N 2.93Å; D46-S48 VanDerWaalsContact O-N 3.08Å; D46-S48 VanDerWaalsContact OD1-CB 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.33Å; D46-S48 PolarHBondContact OD1-N 3.39Å; D46-S48 PolarHBondContact OD1-OG 3.22Å; D46-S48 PolarHBondContact OD2-OG 2.85Å; D46-Q49 PolarHBondContact O-N 3.47Å; D46-Q49 PolarHBondContact OD2-NE2 2.84Å |
| 47 | L | 60.2 | Low | 54.8 | Low | 121 Ų | 121 | 136.6 Ų | 136.6 | 63% | 0.634 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -67.7 | 0.5 | 177.4 | -62.4 | 176.1 | 0 | 0 | 0 | 113.4 | I45 Q49 L50 | I45-L47 VanDerWaalsContact C-N 3.29Å; I45-L47 HydrophobicContact CG2-CD2 3.86Å; I45-L47 HydrophobicContact CG2-CG 4.27Å; I45-L47 PolarHBondContact O-N 3.15Å; L47-Q49 PolarHBondContact O-N 2.94Å; L47-L50 HydrophobicContact CD2-CD1 3.92Å; L47-L50 PolarHBondContact O-N 3.47Å |
| 48 | S | 59.8 | Low | 54.9 | Low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 72% | 0.721 | S | S | * | * | G | 310 helix | trans | -71.1 | -10.2 | 169.1 | 76.9 | 0 | 0 | 0 | 0 | 113.4 | D46 | D46-S48 VanDerWaalsContact CG-OG 3.3Å; D46-S48 PolarHBondContact O-N 2.93Å; D46-S48 VanDerWaalsContact O-N 3.08Å; D46-S48 VanDerWaalsContact OD1-CB 3.28Å; D46-S48 WeakPolarHBondContact OD1-CB 3.33Å; D46-S48 PolarHBondContact OD1-N 3.39Å; D46-S48 PolarHBondContact OD1-OG 3.22Å; D46-S48 PolarHBondContact OD2-OG 2.85Å |
| 49 | Q | 53.8 | Low | 55.2 | Low | 153 Ų | 153 | 130.4 Ų | 130.4 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -91.8 | 2.9 | 178.2 | -58.3 | -179.4 | 32.3 | 0 | 0 | 113.7 | D46 L47 D51 | D46-Q49 PolarHBondContact O-N 3.47Å; D46-Q49 PolarHBondContact OD2-NE2 2.84Å; L47-Q49 PolarHBondContact O-N 2.94Å; Q49-D51 PolarHBondContact O-N 2.85Å |
| 50 | L | 56.3 | Low | 55 | Low | 128 Ų | 128 | 127.6 Ų | 127.6 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | | | trans | -91 | 87.5 | 167.4 | -66.5 | 177.4 | 0 | 0 | 0 | 109 | L47 | L47-L50 HydrophobicContact CD2-CD1 3.92Å; L47-L50 PolarHBondContact O-N 3.47Å |
| 51 | D | 55.4 | Low | 54.7 | Low | 102 Ų | 102 | 129.9 Ų | 129.9 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | | | trans | -68.3 | 140.7 | 172.6 | -172 | 16 | 0 | 0 | 0 | 110.3 | Q49 S53 D54 | Q49-D51 PolarHBondContact O-N 2.85Å; D51-S53 PolarHBondContact O-N 2.83Å; D51-S53 VanDerWaalsContact O-N 3.07Å; D51-S53 PolarHBondContact OD2-OG 3.31Å; D51-D54 PolarHBondContact O-N 3.43Å |
| 52 | T | 58.8 | Low | 54.8 | Low | 136 Ų | 136 | 126.6 Ų | 126.6 | 83% | 0.834 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -2.5 | -178 | 47.8 | 0 | 0 | 0 | 0 | 114.2 | | |
| 53 | S | 55.2 | Low | 54.8 | Low | 69 Ų | 69 | 126 Ų | 126 | 48% | 0.483 | 70% | 0.701 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.3 | -25.6 | 177.4 | 55.1 | 0 | 0 | 0 | 0 | 114 | D51 F55 D56 | D51-S53 PolarHBondContact O-N 2.83Å; D51-S53 VanDerWaalsContact O-N 3.07Å; D51-S53 PolarHBondContact OD2-OG 3.31Å; S53-F55 PolarHBondContact O-N 3.35Å; S53-D56 PolarHBondContact O-N 3.02Å |
| 54 | D | 58.1 | Low | 53.9 | Low | 141 Ų | 141 | 127.6 Ų | 127.6 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 4.6 | -171.7 | -106.5 | 8.3 | 0 | 0 | 0 | 115.2 | D51 | D51-D54 PolarHBondContact O-N 3.43Š|
| 55 | F | 55.4 | Low | 53.5 | Low | 185 Ų | 185 | 128.8 Ų | 128.8 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | -2.9 | 178 | -84.2 | -80.5 | 0 | 0 | 0 | 115 | S53 S57 | S53-F55 PolarHBondContact O-N 3.35Å; F55-S57 VanDerWaalsContact C-N 3.27Å; F55-S57 PolarHBondContact O-N 3.36Å |
| 56 | D | 50.3 | Low | 52.4 | Low | 124 Ų | 124 | 132.5 Ų | 132.5 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | | | trans | -79.7 | 69 | -177.4 | -162.6 | 15.9 | 0 | 0 | 0 | 113.1 | S53 V58 | S53-D56 PolarHBondContact O-N 3.02Å; D56-V58 PolarHBondContact O-N 3.25Å; D56-V58 WeakPolarHBondContact OD1-CG2 3.4Å |
| 57 | S | 57.3 | Low | 51.1 | Low | 91 Ų | 91 | 134.4 Ų | 134.4 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -77.4 | 19.5 | -171.8 | -59.1 | 0 | 0 | 0 | 0 | 114.9 | F55 | F55-S57 VanDerWaalsContact C-N 3.27Å; F55-S57 PolarHBondContact O-N 3.36Å |
| 58 | V | 52.9 | Low | 49.7 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -86.3 | -6.4 | -171.8 | -55.6 | 0 | 0 | 0 | 0 | 114.8 | D56 | D56-V58 PolarHBondContact O-N 3.25Å; D56-V58 WeakPolarHBondContact OD1-CG2 3.4Å |
| 59 | N | 53.9 | Low | 48.3 | Very low | 124 Ų | 124 | 137.3 Ų | 137.3 | 66% | 0.663 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -114.3 | 13.9 | -175.8 | -155.7 | 80.5 | 0 | 0 | 0 | 114.6 | L61 | N59-L61 VanDerWaalsContact C-N 3.32Å; N59-L61 PolarHBondContact O-N 3.49Å |
| 60 | C | 46.5 | Very low | 47.6 | Very low | 106 Ų | 106 | 137.4 Ų | 137.4 | 72% | 0.716 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | 10.4 | -175.6 | -59.6 | 0 | 0 | 0 | 0 | 115.3 | | |
| 61 | L | 46.8 | Very low | 46.7 | Very low | 172 Ų | 172 | 137 Ų | 137 | 90% | 0.901 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.1 | 2 | -176.4 | -66.7 | 178 | 0 | 0 | 0 | 114.6 | N59 | N59-L61 VanDerWaalsContact C-N 3.32Å; N59-L61 PolarHBondContact O-N 3.49Å |
| 62 | S | 49.1 | Very low | 45.9 | Very low | 93 Ų | 93 | 136.7 Ų | 136.7 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -88.7 | -5.8 | -175.2 | 58.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 63 | E | 51 | Low | 44.6 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | -130 | 40.6 | -166.8 | -154.2 | 171.6 | -161.9 | 0 | 0 | 114.4 | | |
| 64 | L | 41.5 | Very low | 43.7 | Very low | 145 Ų | 145 | 140.9 Ų | 140.9 | 76% | 0.759 | 77% | 0.773 | S | S | * | * | | | trans | -123.8 | 64.9 | 167.6 | -87.2 | 168.6 | 0 | 0 | 0 | 111.5 | W66 | L64-W66 PolarHBondContact O-N 3.03Š|
| 65 | Q | 39.8 | Very low | 42.4 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | -65.2 | 124.8 | 163.5 | 64.3 | 177.7 | -4.4 | 0 | 0 | 109.9 | | |
| 66 | W | 40.2 | Very low | 41.6 | Very low | 221 Ų | 221 | 136.7 Ų | 136.7 | 84% | 0.837 | 78% | 0.775 | S | S | * | * | | | trans | -130.4 | 132.5 | 163.2 | -80.9 | 67.7 | 0 | 0 | 0 | 107 | L64 T68 | L64-W66 PolarHBondContact O-N 3.03Å; W66-T68 PolarHBondContact O-N 3.02Å |
| 67 | C | 30.8 | Very low | 40.6 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | | | trans | -70.2 | 121.6 | -159 | -56.2 | 0 | 0 | 0 | 0 | 113.4 | D69 | C67-D69 VanDerWaalsContact C-N 3.32Å; C67-D69 PolarHBondContact O-N 3.29Å; C67-D69 VanDerWaalsContact O-N 3.12Å |
| 68 | T | 30.1 | Very low | 39.4 | Very low | 126 Ų | 126 | 136.1 Ų | 136.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | -74.3 | 89.9 | 153.6 | -58.1 | 0 | 0 | 0 | 0 | 108.1 | W66 Q70 | W66-T68 PolarHBondContact O-N 3.02Å; T68-Q70 HydrophobicContact CG2-CB 4.01Å |
| 69 | D | 31.9 | Very low | 38.4 | Very low | 153 Ų | 153 | 137.5 Ų | 137.5 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | | | trans | -95.7 | 107.6 | 161.7 | -162.7 | 6.4 | 0 | 0 | 0 | 107.5 | C67 | C67-D69 VanDerWaalsContact C-N 3.32Å; C67-D69 PolarHBondContact O-N 3.29Å; C67-D69 VanDerWaalsContact O-N 3.12Å |
| 70 | Q | 38.8 | Very low | 37.4 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -126.7 | 109 | -171.1 | -179.6 | 173.1 | 88.3 | 0 | 0 | 108.4 | T68 A72 | T68-Q70 HydrophobicContact CG2-CB 4.01Å; Q70-A72 PolarHBondContact O-N 2.6Å |
| 71 | P | 36.3 | Very low | 37 | Very low | 121 Ų | 121 | 145.2 Ų | 145.2 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | trans | -66 | 125.7 | 174.3 | 27.5 | -32.7 | 0 | 0 | 0 | 108.8 | | |
| 72 | A | 38.5 | Very low | 36.6 | Very low | 95 Ų | 95 | 142.4 Ų | 142.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -72.7 | 133.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q70 | Q70-A72 PolarHBondContact O-N 2.6Š|
| 73 | D | 31.4 | Very low | 35.9 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | | | | -159.3 | 169.8 | 122.8 | -128.9 | -35.9 | 0 | 0 | 0 | 111.9 | | |
| 74 | V | 37.4 | Very low | 35.2 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | | | trans | 70.8 | 93 | 178.4 | -166.2 | 0 | 0 | 0 | 0 | 116 | | |
| 75 | S | 30.8 | Very low | 35.4 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | -67.2 | 149.8 | 165.4 | -56.7 | 0 | 0 | 0 | 0 | 113 | | |
| 76 | P | 38.9 | Very low | 35.7 | Very low | 132 Ų | 132 | 137 Ų | 137 | 86% | 0.857 | 78% | 0.782 | S | S | * | * | | | trans | -75.9 | 137.3 | 175.9 | 31.3 | -34.7 | 0 | 0 | 0 | 112.1 | | |
| 77 | A | 29.3 | Very low | 36 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | -147.2 | 93.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 78 | S | 31.6 | Very low | 36.7 | Very low | 108 Ų | 108 | 134.1 Ų | 134.1 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | 74.5 | 161.3 | 148.2 | -153.8 | 0 | 0 | 0 | 0 | 120 | | |
| 79 | I | 31.4 | Very low | 37.8 | Very low | 151 Ų | 151 | 137 Ų | 137 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | | | trans | 68.6 | 132.2 | 167.3 | -46.6 | -175.5 | 0 | 0 | 0 | 115.9 | | |
| 80 | H | 32.8 | Very low | 38.9 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 76% | 0.764 | 76% | 0.76 | S | S | * | * | | | cis | -170.4 | 171.8 | -33.9 | -113.8 | -76.5 | 0 | 0 | 0 | 105.6 | | |
| 81 | Y | 37.9 | Very low | 39.9 | Very low | 227 Ų | 227 | 134.5 Ų | 134.5 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | | | trans | -58.7 | 135.8 | 169.6 | -71.2 | -104.1 | 0 | 0 | 0 | 112.3 | | |
| 82 | S | 38.1 | Very low | 41.2 | Very low | 113 Ų | 113 | 137 Ų | 137 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | | | trans | 173.5 | 104.2 | 132.4 | 179.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 83 | T | 34.9 | Very low | 42.3 | Very low | 120 Ų | 120 | 140.6 Ų | 140.6 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | -163 | 125.2 | 138.6 | 19.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 84 | A | 36.6 | Very low | 44 | Very low | 78 Ų | 78 | 136.6 Ų | 136.6 | 65% | 0.645 | 74% | 0.738 | S | S | * | * | | | trans | -114 | 14.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 85 | D | 46.4 | Very low | 45.8 | Very low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | | | trans | -111.2 | -15.7 | -151.9 | -48.4 | -75.3 | 0 | 0 | 0 | 113.3 | L87 | D85-L87 PolarHBondContact O-N 3.39Š|
| 86 | E | 45.8 | Very low | 48.1 | Very low | 175 Ų | 175 | 131 Ų | 131 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 3.1 | 175.9 | -68.2 | -176.2 | 156.4 | 0 | 0 | 113.7 | | |
| 87 | L | 46.3 | Very low | 50.1 | Low | 138 Ų | 138 | 129.5 Ų | 129.5 | 72% | 0.723 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 1.2 | -178.3 | -127.9 | 155.5 | 0 | 0 | 0 | 113.7 | D85 | D85-L87 PolarHBondContact O-N 3.39Š|
| 88 | F | 46.4 | Very low | 52.6 | Low | 149 Ų | 149 | 130.1 Ų | 130.1 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -112.7 | -2.2 | 179.1 | -72.3 | -78.8 | 0 | 0 | 0 | 114.5 | I90 E91 | F88-I90 PolarHBondContact O-N 2.8Å; F88-E91 PolarHBondContact O-N 2.73Å |
| 89 | E | 52.6 | Low | 54.9 | Low | 186 Ų | 186 | 127.7 Ų | 127.7 | 87% | 0.869 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 37.2 | 176.1 | -153 | 165.4 | -131 | 0 | 0 | 112.7 | | |
| 90 | I | 54.6 | Low | 57.2 | Low | 114 Ų | 114 | 123 Ų | 123 | 59% | 0.585 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -8 | 175.6 | -61.7 | 174.8 | 0 | 0 | 0 | 110.4 | F88 N94 | F88-I90 PolarHBondContact O-N 2.8Å; I90-N94 PolarHBondContact O-ND2 2.89Å |
| 91 | E | 60.6 | Low | 59.5 | Low | 142 Ų | 142 | 119.6 Ų | 119.6 | 66% | 0.664 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 2.5 | -166.7 | -160.9 | 151.1 | -136.3 | 0 | 0 | 115.2 | F88 A95 | F88-E91 PolarHBondContact O-N 2.73Å; E91-A95 WeakPolarHBondContact O-CB 3.37Å |
| 92 | E | 63.7 | Low | 61.6 | Low | 172 Ų | 172 | 113.1 Ų | 113.1 | 80% | 0.804 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -49 | 171.6 | -170.1 | 169.1 | -167.4 | 0 | 0 | 112.3 | N94 A95 A96 | E92-N94 VanDerWaalsContact C-N 3.34Å; E92-N94 PolarHBondContact O-N 2.54Å; E92-A95 WeakPolarHBondContact O-CB 3.49Å; E92-A95 PolarHBondContact O-N 2.79Å; E92-A95 VanDerWaalsContact O-N 3.11Å; E92-A96 PolarHBondContact O-N 3.05Å; E92-A96 VanDerWaalsContact O-N 3.16Å |
| 93 | E | 61.6 | Low | 63.5 | Low | 171 Ų | 171 | 113.7 Ų | 113.7 | 80% | 0.799 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.5 | -34.4 | 179.9 | -165.7 | 168.9 | -138.7 | 0 | 0 | 112 | A96 L97 | E93-A96 PolarHBondContact O-N 3.13Å; E93-L97 PolarHBondContact O-N 3.26Å |
| 94 | N | 65.4 | Low | 65.6 | Low | 76 Ų | 76 | 111.4 Ų | 111.4 | 41% | 0.406 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.5 | -32 | 171.1 | -79.3 | -70.8 | 0 | 0 | 0 | 113 | I90 E92 L97 L98 | I90-N94 PolarHBondContact O-ND2 2.89Å; E92-N94 VanDerWaalsContact C-N 3.34Å; E92-N94 PolarHBondContact O-N 2.54Å; N94-L97 PolarHBondContact O-N 3.15Å; N94-L98 WeakPolarHBondContact O-CB 3.08Å; N94-L98 VanDerWaalsContact O-CG 3.28Å; N94-L98 WeakPolarHBondContact O-CG 3.47Å; N94-L98 PolarHBondContact O-N 3.03Å |
| 95 | A | 76.3 | Confident | 67.3 | Low | 56 Ų | 56 | 112.9 Ų | 112.9 | 46% | 0.463 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -67.1 | -40.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E91 E92 L98 A99 | E91-A95 WeakPolarHBondContact O-CB 3.37Å; E92-A95 WeakPolarHBondContact O-CB 3.49Å; E92-A95 PolarHBondContact O-N 2.79Å; E92-A95 VanDerWaalsContact O-N 3.11Å; A95-L98 PolarHBondContact O-N 3.02Å; A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.21Å; A95-A99 PolarHBondContact O-N 3.31Å |
| 96 | A | 79.9 | Confident | 68.4 | Low | 65 Ų | 65 | 113.1 Ų | 113.1 | 54% | 0.537 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.9 | -39.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | E92 E93 A100 | E92-A96 PolarHBondContact O-N 3.05Å; E92-A96 VanDerWaalsContact O-N 3.16Å; E93-A96 PolarHBondContact O-N 3.13Å; A96-A100 WeakPolarHBondContact O-CB 3.28Å; A96-A100 PolarHBondContact O-N 3.02Å |
| 97 | L | 79.3 | Confident | 69.2 | Low | 100 Ų | 100 | 107.5 Ų | 107.5 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.5 | -46.3 | 176.5 | -169.2 | 73.9 | 0 | 0 | 0 | 112 | E93 N94 A100 L101 | E93-L97 PolarHBondContact O-N 3.26Å; N94-L97 PolarHBondContact O-N 3.15Å; L97-A100 PolarHBondContact O-N 3.21Å; L97-L101 HydrophobicContact CG-CD1 4.24Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.32Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.33Å |
| 98 | L | 82.7 | Confident | 69.8 | Low | 109 Ų | 109 | 106.9 Ų | 106.9 | 57% | 0.571 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.4 | -39.4 | 177.4 | -72.8 | 168.4 | 0 | 0 | 0 | 111.8 | N94 A95 L101 T102 | N94-L98 WeakPolarHBondContact O-CB 3.08Å; N94-L98 VanDerWaalsContact O-CG 3.28Å; N94-L98 WeakPolarHBondContact O-CG 3.47Å; N94-L98 PolarHBondContact O-N 3.03Å; A95-L98 PolarHBondContact O-N 3.02Å; L98-L101 PolarHBondContact O-N 2.94Å; L98-T102 WeakPolarHBondContact O-CB 3.35Å; L98-T102 PolarHBondContact O-N 3.24Å; L98-T102 PolarHBondContact O-OG1 3.44Å |
| 99 | A | 79.5 | Confident | 70.2 | Confident | 58 Ų | 58 | 104.5 Ų | 104.5 | 48% | 0.479 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.7 | -48.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A95 L101 T102 D103 | A95-A99 VanDerWaalsContact O-CB 3.3Å; A95-A99 WeakPolarHBondContact O-CB 3.21Å; A95-A99 PolarHBondContact O-N 3.31Å; A99-L101 VanDerWaalsContact C-N 3.34Å; A99-L101 PolarHBondContact O-N 3.45Å; A99-T102 PolarHBondContact O-N 3.4Å; A99-T102 VanDerWaalsContact O-N 3.14Å; A99-D103 WeakPolarHBondContact O-CB 3.39Å; A99-D103 PolarHBondContact O-N 3.36Å |
| 100 | A | 79.6 | Confident | 70.5 | Confident | 52 Ų | 52 | 102.7 Ų | 102.7 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.9 | -34.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A96 L97 S104 | A96-A100 WeakPolarHBondContact O-CB 3.28Å; A96-A100 PolarHBondContact O-N 3.02Å; L97-A100 PolarHBondContact O-N 3.21Å; A100-S104 WeakPolarHBondContact O-CB 3.27Å; A100-S104 PolarHBondContact O-N 2.89Å; A100-S104 PolarHBondContact O-OG 3.44Å |
| 101 | L | 81.9 | Confident | 70.5 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 49% | 0.492 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.6 | -31.5 | 173.3 | -71.9 | 170.4 | 0 | 0 | 0 | 112.4 | L97 L98 A99 L105 | L97-L101 HydrophobicContact CG-CD1 4.24Å; L97-L101 WeakPolarHBondContact O-CB 3.3Å; L97-L101 VanDerWaalsContact O-CG 3.32Å; L97-L101 WeakPolarHBondContact O-CG 3.43Å; L97-L101 PolarHBondContact O-N 3.33Å; L98-L101 PolarHBondContact O-N 2.94Å; A99-L101 VanDerWaalsContact C-N 3.34Å; A99-L101 PolarHBondContact O-N 3.45Å; L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 2.81Å |
| 102 | T | 81.4 | Confident | 70.3 | Confident | 90 Ų | 90 | 103.1 Ų | 103.1 | 55% | 0.552 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.1 | -46.8 | 176.1 | -54.3 | 0 | 0 | 0 | 0 | 110.6 | L98 A99 S104 L105 D106 | L98-T102 WeakPolarHBondContact O-CB 3.35Å; L98-T102 PolarHBondContact O-N 3.24Å; L98-T102 PolarHBondContact O-OG1 3.44Å; A99-T102 PolarHBondContact O-N 3.4Å; A99-T102 VanDerWaalsContact O-N 3.14Å; T102-S104 VanDerWaalsContact C-N 3.28Å; T102-S104 PolarHBondContact O-N 2.84Å; T102-L105 PolarHBondContact O-N 3.32Å; T102-D106 WeakPolarHBondContact O-CB 3.44Å; T102-D106 PolarHBondContact O-N 3.13Å |
| 103 | D | 77.4 | Confident | 69.9 | Low | 126 Ų | 126 | 101 Ų | 101 | 67% | 0.674 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -56.7 | -39.5 | 172.9 | -170.6 | 64.6 | 0 | 0 | 0 | 111.8 | A99 L105 G107 | A99-D103 WeakPolarHBondContact O-CB 3.39Å; A99-D103 PolarHBondContact O-N 3.36Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 2.83Å; D103-G107 PolarHBondContact O-N 3.32Å; D103-G107 VanDerWaalsContact O-N 3.16Å |
| 104 | S | 78.9 | Confident | 69.4 | Low | 71 Ų | 71 | 96.6 Ų | 96.6 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.5 | -27.5 | 174.6 | -59.7 | 0 | 0 | 0 | 0 | 114.1 | A100 T102 M108 | A100-S104 WeakPolarHBondContact O-CB 3.27Å; A100-S104 PolarHBondContact O-N 2.89Å; A100-S104 PolarHBondContact O-OG 3.44Å; T102-S104 VanDerWaalsContact C-N 3.28Å; T102-S104 PolarHBondContact O-N 2.84Å; S104-M108 WeakPolarHBondContact O-CG 3.39Å |
| 105 | L | 73.2 | Confident | 68.3 | Low | 110 Ų | 110 | 96.3 Ų | 96.3 | 58% | 0.576 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -86.1 | -39.1 | 178.1 | -76.3 | 167.2 | 0 | 0 | 0 | 111.7 | L101 T102 D103 M108 V109 | L101-L105 WeakPolarHBondContact O-CG 3.41Å; L101-L105 PolarHBondContact O-N 2.81Å; T102-L105 PolarHBondContact O-N 3.32Å; D103-L105 VanDerWaalsContact C-N 3.34Å; D103-L105 PolarHBondContact O-N 2.83Å; L105-M108 WeakPolarHBondContact O-CB 3.47Å; L105-M108 PolarHBondContact O-N 3.37Å; L105-M108 VanDerWaalsContact O-N 3.11Å; L105-V109 PolarHBondContact O-N 2.96Å |
| 106 | D | 70.1 | Confident | 66.5 | Low | 122 Ų | 122 | 101.9 Ų | 101.9 | 65% | 0.652 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.3 | -48.7 | 175.7 | -155.5 | 54.2 | 0 | 0 | 0 | 110.2 | T102 M108 V109 | T102-D106 WeakPolarHBondContact O-CB 3.44Å; T102-D106 PolarHBondContact O-N 3.13Å; D106-M108 PolarHBondContact O-N 3.49Å; D106-V109 PolarHBondContact O-N 3.32Å; D106-V109 VanDerWaalsContact O-N 3.12Å |
| 107 | G | 62.8 | Low | 64.4 | Low | 57 Ų | 57 | 104.6 Ų | 104.6 | 59% | 0.588 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -66.6 | -4.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D103 | D103-G107 PolarHBondContact O-N 3.32Å; D103-G107 VanDerWaalsContact O-N 3.16Å |
| 108 | M | 57.5 | Low | 62.3 | Low | 125 Ų | 125 | 104.4 Ų | 104.4 | 62% | 0.616 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -93.4 | -29 | 171.3 | -79 | 173.1 | 46.7 | 0 | 0 | 112.8 | S104 L105 D106 A111 | S104-M108 WeakPolarHBondContact O-CG 3.39Å; L105-M108 WeakPolarHBondContact O-CB 3.47Å; L105-M108 PolarHBondContact O-N 3.37Å; L105-M108 VanDerWaalsContact O-N 3.11Å; D106-M108 PolarHBondContact O-N 3.49Å; M108-A111 PolarHBondContact O-N 3.18Å |
| 109 | V | 56.2 | Low | 59.8 | Low | 99 Ų | 99 | 108.6 Ų | 108.6 | 60% | 0.6 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -71.9 | -40.9 | -176.9 | 177.2 | 0 | 0 | 0 | 0 | 111.4 | L105 D106 A111 E112 | L105-V109 PolarHBondContact O-N 2.96Å; D106-V109 PolarHBondContact O-N 3.32Å; D106-V109 VanDerWaalsContact O-N 3.12Å; V109-A111 PolarHBondContact O-N 3.05Å; V109-E112 PolarHBondContact O-N 3.5Å |
| 110 | D | 58.3 | Low | 58 | Low | 147 Ų | 147 | 111 Ų | 111 | 79% | 0.786 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -10.7 | 176.4 | -91.3 | -2.6 | 0 | 0 | 0 | 113.8 | | |
| 111 | A | 55.2 | Low | 55.6 | Low | 85 Ų | 85 | 115.2 Ų | 115.2 | 70% | 0.702 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -18 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | M108 V109 | M108-A111 PolarHBondContact O-N 3.18Å; V109-A111 PolarHBondContact O-N 3.05Å |
| 112 | E | 54.7 | Low | 53.2 | Low | 180 Ų | 180 | 117.5 Ų | 117.5 | 84% | 0.841 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -105.3 | -4.2 | -173.7 | -158.8 | 159.7 | -179.7 | 0 | 0 | 113.5 | V109 | V109-E112 PolarHBondContact O-N 3.5Š|
| 113 | V | 55.9 | Low | 50.7 | Low | 127 Ų | 127 | 121 Ų | 121 | 77% | 0.77 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -111 | 63.4 | 179.8 | -167.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 114 | G | 51 | Low | 48.4 | Very low | 80 Ų | 80 | 123.7 Ų | 123.7 | 83% | 0.825 | 73% | 0.729 | S | S | * | * | | | trans | -151.6 | 11.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 115 | G | 43 | Very low | 46.2 | Very low | 70 Ų | 70 | 128.2 Ų | 128.2 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -104.4 | -21.1 | -162.8 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 116 | L | 38.9 | Very low | 44.8 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 91% | 0.906 | 74% | 0.744 | S | S | * | * | | | trans | -133.7 | 105.1 | -164 | -64.3 | 174.3 | 0 | 0 | 0 | 113.6 | | |
| 117 | S | 36 | Very low | 42.7 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | -162 | 58.2 | 174.4 | 52.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 118 | V | 33.9 | Very low | 41.2 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 58% | 0.582 | 75% | 0.753 | S | S | * | * | | | trans | -146.8 | 128.4 | 157.5 | -141.2 | 0 | 0 | 0 | 0 | 106.9 | | |
| 119 | F | 29.8 | Very low | 39.8 | Very low | 196 Ų | 196 | 133.4 Ų | 133.4 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | | | cis | -127.4 | 168.7 | 20.9 | -79.2 | -94.2 | 0 | 0 | 0 | 113.7 | | |
| 120 | P | 42.6 | Very low | 38.6 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | | | trans | -107.5 | 127.8 | -170.9 | 37.3 | -29.7 | 0 | 0 | 0 | 116.4 | | |
| 121 | T | 28 | Very low | 37.3 | Very low | 141 Ų | 141 | 138.3 Ų | 138.3 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | | | trans | -178 | 143.1 | 155.4 | 23.8 | 0 | 0 | 0 | 0 | 106.8 | | |
| 122 | L | 31.5 | Very low | 36 | Very low | 142 Ų | 142 | 141.4 Ų | 141.4 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | cis | -160.7 | 128.2 | 6.8 | 172.8 | 65.5 | 0 | 0 | 0 | 109.6 | | |
| 123 | E | 28.9 | Very low | 34.9 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | | | trans | 71.2 | 155.6 | 146.3 | -155.9 | 151.8 | -145.7 | 0 | 0 | 121.9 | | |
| 124 | E | 30 | Very low | 33.6 | Very low | 181 Ų | 181 | 142.2 Ų | 142.2 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | | | trans | 52.3 | 97.9 | 170.4 | -78.7 | 179.9 | 136 | 0 | 0 | 123.2 | | |
| 125 | E | 33.7 | Very low | 32.5 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -57.6 | 172.4 | 133 | -124.5 | -137.8 | 117.4 | 0 | 0 | 111.2 | | |
| 126 | P | 42.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 148.5 Ų | 148.5 | 62% | 0.617 | 77% | 0.771 | S | S | * | * | | | cis | -145.6 | 171.4 | 17.2 | 42.6 | -22.8 | 0 | 0 | 0 | 119.6 | | |
| 127 | S | 25.9 | Very low | 31.8 | Very low | 92 Ų | 92 | 145.3 Ų | 145.3 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | | | trans | 74 | 160 | 139.9 | 71.5 | 0 | 0 | 0 | 0 | 124.2 | | |
| 128 | Q | 31.6 | Very low | 31.3 | Very low | 167 Ų | 167 | 147.3 Ų | 147.3 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | | | trans | 76.8 | 114.8 | 172.7 | -47.1 | -158.4 | -99.2 | 0 | 0 | 115.7 | | |
| 129 | E | 27.9 | Very low | 30.9 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | cis | 88.1 | 135.6 | 35.9 | -62.2 | -179.8 | 153.2 | 0 | 0 | 115.2 | | |
| 130 | E | 30.5 | Very low | 30.9 | Very low | 177 Ų | 177 | 142 Ų | 142 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | | | trans | 62.3 | 162.2 | 170.5 | -65.7 | 179 | -173.2 | 0 | 0 | 116.7 | | |
| 131 | E | 30.9 | Very low | 30.3 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | | | cis | -159.4 | 163.3 | -42.8 | -110.8 | -172.8 | -179.9 | 0 | 0 | 105.5 | | |
| 132 | D | 29.1 | Very low | 30.3 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 75% | 0.753 | S | S | * | * | | | trans | -24.2 | 167.9 | 170.1 | -85.9 | -46 | 0 | 0 | 0 | 124.4 | | |
| 133 | E | 30.9 | Very low | 30.4 | Very low | 125 Ų | 125 | 144.6 Ų | 144.6 | 58% | 0.584 | 75% | 0.748 | S | S | * | * | | | trans | 69.8 | 106.5 | 153.3 | -74.9 | -76.4 | 115.2 | 0 | 0 | 121.8 | | |
| 134 | R | 29.5 | Very low | 30.4 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 75% | 0.751 | 75% | 0.754 | S | S | * | * | | | trans | 34.3 | 120.1 | 132.5 | -51.1 | -179.6 | -153.2 | 170.2 | 18.8 | 119.9 | | |
| 135 | S | 27.6 | Very low | 30.6 | Very low | 119 Ų | 119 | 140.6 Ų | 140.6 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | | | | 155.3 | 131.9 | 109.9 | -68.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 136 | L | 30.3 | Very low | 31 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | | | trans | -68.8 | 157.2 | 155.7 | -66.8 | 174.1 | 0 | 0 | 0 | 109.3 | | |
| 137 | P | 37.3 | Very low | 30.3 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 69% | 0.688 | 75% | 0.751 | S | S | * | * | | | | -158.9 | 159.4 | 50.3 | 41.7 | -19.4 | 0 | 0 | 0 | 121.3 | | |
| 138 | L | 25.8 | Very low | 30.3 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | | | trans | 63.6 | 151.7 | 145.4 | -65.2 | 166 | 0 | 0 | 0 | 119.6 | | |
| 139 | S | 24.5 | Very low | 30.4 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | | | cis | -172.2 | 158.7 | -7.9 | 48.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 140 | A | 30.7 | Very low | 30.5 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | | | trans | 71.1 | 156.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 141 | E | 29.8 | Very low | 30.7 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | | | cis | -131.5 | 137.7 | 9.2 | -101.2 | 97.4 | 161.4 | 0 | 0 | 114 | | |
| 142 | D | 28 | Very low | 31.3 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 68% | 0.684 | 74% | 0.739 | S | S | * | * | | | | 26.8 | 147.1 | 117.2 | -66 | 13.5 | 0 | 0 | 0 | 121.5 | | |
| 143 | F | 33.4 | Very low | 32 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 65% | 0.654 | 72% | 0.723 | S | S | * | * | | | cis | -165.3 | 148.7 | -5.1 | -123.1 | -52.4 | 0 | 0 | 0 | 110.7 | Q145 | F143-Q145 HydrophobicContact CE1-CG 4.22Š|
| 144 | S | 29.4 | Very low | 32.8 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 88% | 0.881 | 73% | 0.732 | S | S | * | * | | | trans | -164.7 | 119 | 145.8 | -83 | 0 | 0 | 0 | 0 | 111.5 | | |
| 145 | Q | 32.7 | Very low | 34.1 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 63% | 0.631 | 71% | 0.711 | S | S | * | * | | | trans | -103.4 | -174.6 | -174.6 | -110.6 | -172.7 | -20.4 | 0 | 0 | 111.4 | F143 | F143-Q145 HydrophobicContact CE1-CG 4.22Š|
| 146 | P | 42.2 | Very low | 35.4 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 75% | 0.753 | 70% | 0.696 | S | S | * | * | | | cis | -121.7 | 161.2 | 10.7 | 35.6 | -18.6 | 0 | 0 | 0 | 115 | | |
| 147 | L | 29 | Very low | 36.2 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | | | cis | -153.8 | -170.3 | 3.8 | -114.2 | 168.4 | 0 | 0 | 0 | 106.6 | | |
| 148 | G | 25.6 | Very low | 36.9 | Very low | 52 Ų | 52 | 123.2 Ų | 123.2 | 54% | 0.536 | 69% | 0.688 | S | S | . | * | | | cis | 175.2 | -165 | 7.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 149 | A | 33.7 | Very low | 38.3 | Very low | 92 Ų | 92 | 122 Ų | 122 | 76% | 0.76 | 68% | 0.676 | S | S | * | * | | | trans | -76 | 142.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 150 | E | 30.5 | Very low | 39.6 | Very low | 170 Ų | 170 | 124.2 Ų | 124.2 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | | | cis | 72.9 | 118.3 | 43.4 | -62.4 | -173.1 | 148.4 | 0 | 0 | 114.9 | | |
| 151 | T | 33.2 | Very low | 40.5 | Very low | 117 Ų | 117 | 127 Ų | 127 | 72% | 0.718 | 68% | 0.682 | S | S | * | * | | | | 166.8 | 129.5 | 113.2 | 34.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 152 | E | 43.2 | Very low | 41.3 | Very low | 170 Ų | 170 | 124.8 Ų | 124.8 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | | | trans | 38 | 87.7 | 136.1 | -56.7 | 171.9 | -150.8 | 0 | 0 | 120.3 | L154 | E152-L154 PolarHBondContact O-N 3.2Š|
| 153 | D | 44.3 | Very low | 41.6 | Very low | 86 Ų | 86 | 125 Ų | 125 | 46% | 0.46 | 68% | 0.681 | S | S | . | * | | | trans | -97.1 | 63.1 | 164.5 | -151 | -27.5 | 0 | 0 | 0 | 114.3 | S155 L156 | D153-S155 PolarHBondContact O-N 2.59Å; D153-S155 VanDerWaalsContact OD1-CA 3.24Å; D153-S155 WeakPolarHBondContact OD1-CA 3.41Å; D153-S155 WeakPolarHBondContact OD1-CB 3.37Å; D153-S155 PolarHBondContact OD1-N 2.58Å; D153-S155 PolarHBondContact OD1-OG 2.74Å; D153-L156 HydrophobicContact CB-CD1 4.13Å; D153-L156 PolarHBondContact OD1-N 3.1Å; D153-L156 WeakPolarHBondContact OD2-CD1 3.41Å; D153-L156 WeakPolarHBondContact OD2-CG 3.2Å |
| 154 | L | 49 | Very low | 42.3 | Very low | 150 Ų | 150 | 123.4 Ų | 123.4 | 79% | 0.785 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 16.8 | 160.7 | -66.5 | 176.4 | 0 | 0 | 0 | 112.5 | E152 | E152-L154 PolarHBondContact O-N 3.2Š|
| 155 | S | 56.5 | Low | 43 | Very low | 44 Ų | 44 | 123.2 Ų | 123.2 | 31% | 0.308 | 68% | 0.682 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.3 | -35.1 | 177.2 | 90.3 | 0 | 0 | 0 | 0 | 112.6 | D153 L157 K158 K159 | D153-S155 PolarHBondContact O-N 2.59Å; D153-S155 VanDerWaalsContact OD1-CA 3.24Å; D153-S155 WeakPolarHBondContact OD1-CA 3.41Å; D153-S155 WeakPolarHBondContact OD1-CB 3.37Å; D153-S155 PolarHBondContact OD1-N 2.58Å; D153-S155 PolarHBondContact OD1-OG 2.74Å; S155-L157 PolarHBondContact O-N 3.12Å; S155-K158 PolarHBondContact O-N 3.49Å; S155-K158 VanDerWaalsContact O-N 3.11Å; S155-K159 WeakPolarHBondContact O-CG 3.18Å; S155-K159 PolarHBondContact O-N 3.43Å; S155-K159 WeakPolarHBondContact OG-CE 3.24Å; S155-K159 PolarHBondContact OG-NZ 3.31Å |
| 156 | L | 53.5 | Low | 43.2 | Very low | 98 Ų | 98 | 124.2 Ų | 124.2 | 51% | 0.513 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -57.3 | -47.1 | 179.8 | -81.7 | 165.9 | 0 | 0 | 0 | 112.2 | D153 K158 K159 L160 | D153-L156 HydrophobicContact CB-CD1 4.13Å; D153-L156 PolarHBondContact OD1-N 3.1Å; D153-L156 WeakPolarHBondContact OD2-CD1 3.41Å; D153-L156 WeakPolarHBondContact OD2-CG 3.2Å; L156-K158 PolarHBondContact O-N 3.19Å; L156-K159 PolarHBondContact O-N 3.23Å; L156-L160 PolarHBondContact O-N 3.42Å |
| 157 | L | 48.7 | Very low | 43.1 | Very low | 132 Ų | 132 | 125.2 Ų | 125.2 | 69% | 0.691 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -64 | -26.9 | 179.7 | -143.9 | 75.5 | 0 | 0 | 0 | 112.7 | S155 L161 | S155-L157 PolarHBondContact O-N 3.12Å; L157-L161 WeakPolarHBondContact O-CD1 3.38Å |
| 158 | K | 51.1 | Low | 43.6 | Very low | 159 Ų | 159 | 123.6 Ų | 123.6 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -82.5 | -30 | 171.9 | -85.4 | 179.1 | 174.8 | 170.7 | 0 | 113.5 | S155 L156 | S155-K158 PolarHBondContact O-N 3.49Å; S155-K158 VanDerWaalsContact O-N 3.11Å; L156-K158 PolarHBondContact O-N 3.19Å |
| 159 | K | 55.1 | Low | 43.9 | Very low | 137 Ų | 137 | 127.8 Ų | 127.8 | 60% | 0.596 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -70.6 | -37.7 | 175.1 | -73.1 | 161.8 | 176.2 | 162.6 | 0 | 111.7 | S155 L156 L161 | S155-K159 WeakPolarHBondContact O-CG 3.18Å; S155-K159 PolarHBondContact O-N 3.43Å; S155-K159 WeakPolarHBondContact OG-CE 3.24Å; S155-K159 PolarHBondContact OG-NZ 3.31Å; L156-K159 PolarHBondContact O-N 3.23Å; K159-L161 VanDerWaalsContact C-N 3.35Å; K159-L161 PolarHBondContact O-N 3.28Å |
| 160 | L | 52.3 | Low | 43.7 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -68.7 | -28.5 | 177.4 | -103.4 | 157.4 | 0 | 0 | 0 | 113.8 | L156 | L156-L160 PolarHBondContact O-N 3.42Å |
| 161 | L | 50.2 | Low | 44 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 73% | 0.728 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 0.1 | -174.5 | -77.4 | 171.8 | 0 | 0 | 0 | 115.1 | L157 K159 | L157-L161 WeakPolarHBondContact O-CD1 3.38Å; K159-L161 VanDerWaalsContact C-N 3.35Å; K159-L161 PolarHBondContact O-N 3.28Å |
| 162 | L | 46.8 | Very low | 44 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 65% | 0.654 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -137.2 | 113.1 | 179.8 | -77.1 | 97.2 | 0 | 0 | 0 | 114.5 | | |
| 163 | T | 33.9 | Very low | 43.6 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | | | trans | 101.7 | 119.3 | 155.8 | -34.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 164 | P | 48.1 | Very low | 43.1 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | | | trans | -88.1 | 163.2 | 174.2 | 39.5 | -37.5 | 0 | 0 | 0 | 111.8 | | |
| 165 | P | 43.9 | Very low | 42.5 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | | | | -153.4 | -169.1 | 89.1 | 42.6 | -23.5 | 0 | 0 | 0 | 115.6 | | |
| 166 | N | 36.3 | Very low | 41.4 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | -104 | 166.4 | 176.8 | -108.2 | -29 | 0 | 0 | 0 | 112.6 | | |
| 167 | V | 41.1 | Very low | 40.3 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | 79.7 | 143.8 | 162.8 | 167.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 168 | P | 38.5 | Very low | 39.5 | Very low | 116 Ų | 116 | 134.4 Ų | 134.4 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | | | trans | -115.3 | 172 | -152.2 | 42 | -31.6 | 0 | 0 | 0 | 116.7 | | |
| 169 | T | 31.6 | Very low | 38.6 | Very low | 140 Ų | 140 | 135 Ų | 135 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | | | trans | -96.8 | 149.4 | 161.5 | 50.8 | 0 | 0 | 0 | 0 | 110.8 | | |
| 170 | G | 30.7 | Very low | 37.3 | Very low | 71 Ų | 71 | 133.5 Ų | 133.5 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | cis | 129.6 | 119.3 | -2.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 171 | I | 36.2 | Very low | 36.3 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -151.4 | 110.9 | 163.2 | 37.4 | 172.4 | 0 | 0 | 0 | 106.3 | | |
| 172 | D | 32.1 | Very low | 35.4 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | | 91.6 | 166.3 | 70.6 | -170.1 | 37.2 | 0 | 0 | 0 | 112.4 | | |
| 173 | V | 34.9 | Very low | 34.5 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 62% | 0.624 | 77% | 0.773 | S | S | * | * | | | trans | 99.1 | 85.6 | 173.2 | -169.4 | 0 | 0 | 0 | 0 | 116.4 | | |
| 174 | H | 34.6 | Very low | 34.2 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | 99.2 | 113.7 | 139.3 | -65.4 | -8.7 | 0 | 0 | 0 | 123.1 | | |
| 175 | K | 37.2 | Very low | 33.3 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | | | trans | 81.1 | 115.8 | 135 | -74.2 | -168.6 | 168.3 | -174.8 | 0 | 123.2 | | |
| 176 | D | 31.7 | Very low | 32.7 | Very low | 153 Ų | 153 | 139.5 Ų | 139.5 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | | 38.4 | 111.8 | 123.6 | -52.5 | -39.5 | 0 | 0 | 0 | 120 | | |
| 177 | G | 31.8 | Very low | 32.3 | Very low | 79 Ų | 79 | 136.9 Ų | 136.9 | 81% | 0.814 | 75% | 0.751 | S | S | * | * | | | trans | -176 | 48.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 178 | V | 31.7 | Very low | 31.9 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | | | trans | -27 | 144.4 | 171.3 | 171 | 0 | 0 | 0 | 0 | 118.3 | | |
| 179 | Q | 31.5 | Very low | 31.4 | Very low | 172 Ų | 172 | 142.6 Ų | 142.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | 76.2 | 113.7 | 171.8 | -72 | 154.8 | 28 | 0 | 0 | 116.2 | | |
| 180 | S | 27.9 | Very low | 31.2 | Very low | 105 Ų | 105 | 143.1 Ų | 143.1 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | | 67.9 | 107.8 | 64.9 | -66.2 | 0 | 0 | 0 | 0 | 115 | | |
| 181 | H | 31.4 | Very low | 31.2 | Very low | 196 Ų | 196 | 151 Ų | 151 | 91% | 0.907 | 76% | 0.758 | S | S | * | * | | | trans | -163.6 | 134 | 131.3 | -109.4 | -73 | 0 | 0 | 0 | 114.2 | | |
| 182 | R | 30.6 | Very low | 31.2 | Very low | 164 Ų | 164 | 148.4 Ų | 148.4 | 62% | 0.619 | 75% | 0.752 | S | S | * | * | | | trans | -66.7 | 154.5 | 171 | -53.2 | 154.3 | 172.3 | -158.3 | 4.1 | 112 | L584 | R182-L584 HydrophobicContact CB-CD1 3.62Å; R182-L584 HydrophobicContact CG-CD1 3.82Å |
| 183 | Y | 29.4 | Very low | 30.9 | Very low | 141 Ų | 141 | 147.9 Ų | 147.9 | 55% | 0.553 | 75% | 0.754 | S | S | * | * | | | | -179.1 | 169.6 | 97.9 | -112.5 | -84.8 | 0 | 0 | 0 | 113.3 | D583 L584 | Y183-D583 WeakPolarHBondContact CE1-OD2 3.36Å; Y183-D583 VanDerWaalsContact CZ-OD2 3.27Å; Y183-D583 WeakPolarHBondContact OH-CB 3.3Å; Y183-D583 PolarHBondContact OH-OD2 3.34Å; Y183-L584 HydrophobicContact CD1-CD1 3.71Å; Y183-L584 HydrophobicContact CD1-CD2 4.06Å; Y183-L584 HydrophobicContact CD1-CG 4.14Å; Y183-L584 HydrophobicContact CD2-CD1 4.11Å; Y183-L584 HydrophobicContact CE1-CD1 3.51Å; Y183-L584 HydrophobicContact CE1-CD2 4.03Å; Y183-L584 HydrophobicContact CE1-CG 3.71Å; Y183-L584 HydrophobicContact CE2-CD1 3.91Å; Y183-L584 HydrophobicContact CG-CD1 3.97Å |
| 184 | S | 26.2 | Very low | 31 | Very low | 58 Ų | 58 | 154 Ų | 154 | 41% | 0.406 | 77% | 0.766 | S | S | . | * | | | trans | -125.7 | 140 | -174.4 | -172.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 185 | S | 29.4 | Very low | 31 | Very low | 99 Ų | 99 | 151.8 Ų | 151.8 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | | | trans | 65.2 | 135.5 | 143 | -64.4 | 0 | 0 | 0 | 0 | 123.9 | | |
| 186 | R | 31.7 | Very low | 30.6 | Very low | 246 Ų | 246 | 150.2 Ų | 150.2 | 93% | 0.928 | 77% | 0.766 | S | S | * | * | | | trans | 82.2 | 118.8 | 139.8 | -81.2 | 179.9 | 175.2 | -168.6 | -0.9 | 122 | | |
| 187 | S | 27.7 | Very low | 30.6 | Very low | 101 Ų | 101 | 147.9 Ų | 147.9 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | | 123.3 | 109.2 | 118 | -157.1 | 0 | 0 | 0 | 0 | 118.6 | | |
| 188 | L | 32.6 | Very low | 30.7 | Very low | 149 Ų | 149 | 153.5 Ų | 153.5 | 78% | 0.78 | 76% | 0.759 | S | S | * | * | | | trans | 45.8 | 117.1 | 139.4 | -54.5 | 173.4 | 0 | 0 | 0 | 121.1 | | |
| 189 | R | 27.9 | Very low | 30.6 | Very low | 225 Ų | 225 | 152.8 Ų | 152.8 | 85% | 0.849 | 76% | 0.759 | S | S | * | * | | | | 169.8 | 120.1 | 104 | -90.8 | 178.1 | -173.6 | -144 | -0.3 | 116.3 | | |
| 190 | L | 29.1 | Very low | 30.2 | Very low | 152 Ų | 152 | 152.1 Ų | 152.1 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | | | trans | 47.6 | 127.7 | 134.9 | -59.1 | 174.1 | 0 | 0 | 0 | 123.8 | | |
| 191 | R | 30.2 | Very low | 30.4 | Very low | 235 Ų | 235 | 155.1 Ų | 155.1 | 89% | 0.887 | 77% | 0.768 | S | S | * | * | | | trans | 75.8 | 159.1 | 150.9 | -78.6 | -174.7 | 178 | -170.2 | 0.6 | 117 | | |
| 192 | P | 36.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 151.7 Ų | 151.7 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | | | cis | -144.5 | 164.6 | 28.1 | 42.6 | -22.7 | 0 | 0 | 0 | 121.7 | | |
| 193 | V | 25.9 | Very low | 31 | Very low | 141 Ų | 141 | 151.7 Ų | 151.7 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | trans | 75.3 | 151 | 143.6 | 165.2 | 0 | 0 | 0 | 0 | 122.1 | | |
| 194 | R | 36.1 | Very low | 30.9 | Very low | 232 Ų | 232 | 151.6 Ų | 151.6 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | trans | -133.2 | 160.1 | 174.4 | -69 | -179.7 | 176.4 | 169.9 | -4.2 | 111.2 | | |
| 195 | P | 35.4 | Very low | 31.2 | Very low | 119 Ų | 119 | 158.7 Ų | 158.7 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | | | trans | -112.5 | 141.8 | 133.3 | -1.9 | 23.2 | 0 | 0 | 0 | 110.8 | | |
| 196 | L | 28 | Very low | 31.4 | Very low | 147 Ų | 147 | 163 Ų | 163 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | | 84.1 | 122.9 | 61.9 | -159.5 | 68.1 | 0 | 0 | 0 | 110.8 | | |
| 197 | T | 32.6 | Very low | 31.8 | Very low | 104 Ų | 104 | 157.3 Ų | 157.3 | 64% | 0.638 | 80% | 0.799 | S | S | * | * | | | cis | -159.9 | 136.6 | 43.3 | -30.2 | 0 | 0 | 0 | 0 | 114.1 | | |
| 198 | K | 33 | Very low | 32 | Very low | 196 Ų | 196 | 164 Ų | 164 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | | | trans | 43.7 | 157.1 | 144.7 | -65.5 | 172.3 | -171.6 | 176.7 | 0 | 121.7 | | |
| 199 | S | 29.4 | Very low | 32 | Very low | 112 Ų | 112 | 161.8 Ų | 161.8 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | | | cis | -146.5 | 163.9 | 15 | 52 | 0 | 0 | 0 | 0 | 114.3 | | |
| 200 | D | 23.8 | Very low | 32.3 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | | | trans | -75 | 163.4 | -175.5 | -56.8 | -87.3 | 0 | 0 | 0 | 117.5 | | |
| 201 | L | 31.6 | Very low | 32.7 | Very low | 168 Ų | 168 | 161.8 Ų | 161.8 | 88% | 0.88 | 82% | 0.817 | S | S | * | * | | | trans | -129.7 | 149.5 | 163.8 | -85.6 | 170.1 | 0 | 0 | 0 | 110.5 | | |
| 202 | P | 33.7 | Very low | 33.1 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | trans | -86 | 157.7 | -178.3 | 34.3 | -35.2 | 0 | 0 | 0 | 114.7 | | |
| 203 | L | 40.7 | Very low | 33.3 | Very low | 164 Ų | 164 | 157.4 Ų | 157.4 | 86% | 0.859 | 82% | 0.816 | S | S | * | * | | | trans | -87 | 136.8 | -177.9 | 170.7 | 71.5 | 0 | 0 | 0 | 113.4 | | |
| 204 | E | 28.3 | Very low | 34 | Very low | 139 Ų | 139 | 156.1 Ų | 156.1 | 65% | 0.65 | 81% | 0.814 | S | S | * | * | | | trans | -150 | 173 | 156.3 | -103.3 | -56.9 | 163.1 | 0 | 0 | 112.7 | | |
| 205 | R | 32 | Very low | 34.8 | Very low | 206 Ų | 206 | 155 Ų | 155 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | | | trans | -73.6 | 158.3 | -150.1 | -76.8 | 153.6 | 176.4 | 73.5 | -9.4 | 120.9 | | |
| 206 | K | 34.3 | Very low | 35.7 | Very low | 189 Ų | 189 | 155.4 Ų | 155.4 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | | | trans | -53.4 | 160.8 | 163.7 | -72.4 | 167.9 | 171.5 | 162.3 | 0 | 114.7 | | |
| 207 | P | 39.2 | Very low | 36.6 | Very low | 128 Ų | 128 | 153.7 Ų | 153.7 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | | -123.4 | -176 | 107 | 36.9 | -33.7 | 0 | 0 | 0 | 114.4 | | |
| 208 | R | 31.7 | Very low | 37.6 | Very low | 240 Ų | 240 | 153.4 Ų | 153.4 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | | | trans | -108.4 | 155 | -176.7 | -69.4 | 173 | 168.3 | 163.4 | -6.3 | 111.8 | | |
| 209 | A | 32.6 | Very low | 39.2 | Very low | 103 Ų | 103 | 147.7 Ų | 147.7 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | | | trans | -122.2 | 160.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 210 | V | 34.3 | Very low | 40.8 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | trans | -110.1 | 139.9 | -174.5 | 176.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 211 | R | 37.8 | Very low | 42.7 | Very low | 235 Ų | 235 | 146.5 Ų | 146.5 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -86 | 139.1 | 175.9 | -75.3 | -178.9 | 170.7 | 160.5 | -5 | 111.9 | | |
| 212 | P | 38.1 | Very low | 44.5 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 165.9 | 159.9 | 34 | -33.3 | 0 | 0 | 0 | 111.5 | | |
| 213 | T | 40.9 | Very low | 45.9 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 82% | 0.816 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 160.2 | -173.8 | 43.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 214 | S | 40.7 | Very low | 47 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 139.4 | -173.3 | 42.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 215 | R | 52.3 | Low | 48.1 | Very low | 208 Ų | 208 | 140.4 Ų | 140.4 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | | | trans | -133.1 | -0.4 | 170.6 | -73.6 | -169.8 | 171.6 | -138.7 | 0.6 | 114.8 | C217 T218 | R215-C217 VanDerWaalsContact C-N 3.33Å; R215-C217 PolarHBondContact O-N 3.5Å; R215-T218 PolarHBondContact O-N 2.94Å; R215-T218 PolarHBondContact O-OG1 3.22Å |
| 216 | L | 54.5 | Low | 49.2 | Very low | 129 Ų | 129 | 134.2 Ų | 134.2 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -30.8 | -164.7 | -56 | 177.8 | 0 | 0 | 0 | 114.4 | T218 E219 L220 | L216-T218 VanDerWaalsContact C-N 3.32Å; L216-T218 PolarHBondContact O-N 3.04Å; L216-E219 WeakPolarHBondContact O-CB 3.41Å; L216-E219 PolarHBondContact O-N 2.9Å; L216-L220 PolarHBondContact O-N 3.36Å |
| 217 | C | 47.4 | Very low | 49.4 | Very low | 110 Ų | 110 | 130 Ų | 130 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -69.9 | -25.5 | -175.9 | -47 | 0 | 0 | 0 | 0 | 113.9 | R215 E219 | R215-C217 VanDerWaalsContact C-N 3.33Å; R215-C217 PolarHBondContact O-N 3.5Å; C217-E219 VanDerWaalsContact C-N 3.33Å |
| 218 | T | 54.4 | Low | 49.5 | Very low | 98 Ų | 98 | 132 Ų | 132 | 60% | 0.601 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -86 | -8.8 | 172.8 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | R215 L216 R222 | R215-T218 PolarHBondContact O-N 2.94Å; R215-T218 PolarHBondContact O-OG1 3.22Å; L216-T218 VanDerWaalsContact C-N 3.32Å; L216-T218 PolarHBondContact O-N 3.04Å; T218-R222 PolarHBondContact O-NH1 2.88Å |
| 219 | E | 66.6 | Low | 49.6 | Very low | 77 Ų | 77 | 128.5 Ų | 128.5 | 36% | 0.36 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -79.7 | -57.3 | 174.4 | -137 | 65.4 | 178.6 | 0 | 0 | 109.2 | L216 C217 H221 R222 H223 | L216-E219 WeakPolarHBondContact O-CB 3.41Å; L216-E219 PolarHBondContact O-N 2.9Å; C217-E219 VanDerWaalsContact C-N 3.33Å; E219-H221 PolarHBondContact O-N 2.76Å; E219-R222 WeakPolarHBondContact O-CB 3.27Å; E219-R222 PolarHBondContact O-N 3.21Å; E219-R222 IonicContact OE1-CZ 2.66Å; E219-R222 IonicContact OE1-NH1 2.68Å; E219-R222 IonicContact OE1-NH2 3.8Å; E219-R222 PolarHBondContact OE1-NH2 3.27Å; E219-R222 IonicContact OE2-CZ 3.8Å; E219-R222 IonicContact OE2-NH1 2.75Å; E219-R222 PolarHBondContact OE2-NH1 3.07Å; E219-R222 IonicContact OE2-NH2 3.41Å; E219-R222 PolarHBondContact OE2-NH2 3.35Å; E219-H223 PolarHBondContact O-CD2 2.71Å; E219-H223 PolarHBondContact O-N 3.27Å |
| 220 | L | 61.1 | Low | 49.6 | Very low | 113 Ų | 113 | 128.8 Ų | 128.8 | 59% | 0.592 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -54.5 | -46.9 | 179.1 | -81.4 | 160 | 0 | 0 | 0 | 113.2 | L216 R222 H223 L224 | L216-L220 PolarHBondContact O-N 3.36Å; L220-R222 PolarHBondContact O-N 2.97Å; L220-H223 PolarHBondContact O-N 2.83Å; L220-L224 WeakPolarHBondContact O-CB 3.34Å; L220-L224 VanDerWaalsContact O-CG 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.18Å; L220-L224 PolarHBondContact O-N 2.76Å |
| 221 | H | 64.4 | Low | 49.6 | Very low | 132 Ų | 132 | 131.3 Ų | 131.3 | 61% | 0.611 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -64.3 | -26.9 | 179.8 | -173.4 | 54.3 | 0 | 0 | 0 | 113.2 | E219 T225 | E219-H221 PolarHBondContact O-N 2.76Å; H221-T225 WeakPolarHBondContact O-CG2 3.49Å; H221-T225 PolarHBondContact O-N 3.23Å; H221-T225 PolarHBondContact O-OG1 3.11Å |
| 222 | R | 70.3 | Confident | 49.4 | Very low | 111 Ų | 111 | 128 Ų | 128 | 42% | 0.419 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -74.4 | -49.4 | 174.2 | -172.8 | 171.9 | 71.2 | -108.2 | 11.5 | 110.9 | T218 E219 L220 L224 T225 T226 | T218-R222 PolarHBondContact O-NH1 2.88Å; E219-R222 WeakPolarHBondContact O-CB 3.27Å; E219-R222 PolarHBondContact O-N 3.21Å; E219-R222 IonicContact OE1-CZ 2.66Å; E219-R222 IonicContact OE1-NH1 2.68Å; E219-R222 IonicContact OE1-NH2 3.8Å; E219-R222 PolarHBondContact OE1-NH2 3.27Å; E219-R222 IonicContact OE2-CZ 3.8Å; E219-R222 IonicContact OE2-NH1 2.75Å; E219-R222 PolarHBondContact OE2-NH1 3.07Å; E219-R222 IonicContact OE2-NH2 3.41Å; E219-R222 PolarHBondContact OE2-NH2 3.35Å; L220-R222 PolarHBondContact O-N 2.97Å; R222-L224 VanDerWaalsContact C-N 3.25Å; R222-L224 PolarHBondContact O-N 3.43Å; R222-T225 PolarHBondContact O-N 3.2Å; R222-T225 PolarHBondContact O-OG1 3.21Å; R222-T226 HydrophobicContact CG-CG2 4.48Å; R222-T226 PolarHBondContact O-N 2.73Å; R222-T226 PolarHBondContact O-OG1 3.49Å |
| 223 | H | 63.5 | Low | 49 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 54% | 0.542 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -61.2 | -33 | 177.6 | -67.9 | -66.3 | 0 | 0 | 0 | 113 | E219 L220 T225 | E219-H223 PolarHBondContact O-CD2 2.71Å; E219-H223 PolarHBondContact O-N 3.27Å; L220-H223 PolarHBondContact O-N 2.83Å; H223-T225 VanDerWaalsContact C-N 3.3Å; H223-T225 PolarHBondContact O-N 3.42Å |
| 224 | L | 63.7 | Low | 48.7 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 75% | 0.749 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -4.7 | 175.1 | -68.7 | 168.7 | 0 | 0 | 0 | 114.6 | L220 R222 | L220-L224 WeakPolarHBondContact O-CB 3.34Å; L220-L224 VanDerWaalsContact O-CG 3.3Å; L220-L224 WeakPolarHBondContact O-CG 3.18Å; L220-L224 PolarHBondContact O-N 2.76Å; R222-L224 VanDerWaalsContact C-N 3.25Å; R222-L224 PolarHBondContact O-N 3.43Å |
| 225 | T | 50.3 | Low | 47.9 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 60% | 0.595 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.4 | -7.5 | 179.9 | 52.2 | 0 | 0 | 0 | 0 | 114 | H221 R222 H223 | H221-T225 WeakPolarHBondContact O-CG2 3.49Å; H221-T225 PolarHBondContact O-N 3.23Å; H221-T225 PolarHBondContact O-OG1 3.11Å; R222-T225 PolarHBondContact O-N 3.2Å; R222-T225 PolarHBondContact O-OG1 3.21Å; H223-T225 VanDerWaalsContact C-N 3.3Å; H223-T225 PolarHBondContact O-N 3.42Å |
| 226 | T | 54.7 | Low | 47 | Very low | 75 Ų | 75 | 124.7 Ų | 124.7 | 46% | 0.46 | 69% | 0.687 | S | S | . | * | S | Bend | trans | -94.3 | 117.7 | 165.9 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | R222 Q228 | R222-T226 HydrophobicContact CG-CG2 4.48Å; R222-T226 PolarHBondContact O-N 2.73Å; R222-T226 PolarHBondContact O-OG1 3.49Å; T226-Q228 PolarHBondContact O-N 3.27Å |
| 227 | A | 39.7 | Very low | 45.8 | Very low | 101 Ų | 101 | 125.6 Ų | 125.6 | 84% | 0.835 | 69% | 0.693 | S | S | * | * | | | trans | -58.2 | 136.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | D229 | A227-D229 PolarHBondContact O-N 3.08Š|
| 228 | Q | 40.2 | Very low | 45.1 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | | | trans | -81.8 | 101.2 | 175.7 | -74.5 | -176 | -99.7 | 0 | 0 | 109.4 | T226 T230 | T226-Q228 PolarHBondContact O-N 3.27Å; Q228-T230 HydrophobicContact CB-CG2 4.23Å |
| 229 | D | 33.4 | Very low | 44 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 89% | 0.888 | 70% | 0.703 | S | S | * | * | | | trans | -83.2 | 115.4 | 156.6 | -132.1 | -8.2 | 0 | 0 | 0 | 106.3 | A227 | A227-D229 PolarHBondContact O-N 3.08Š|
| 230 | T | 32.8 | Very low | 42.5 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | | | trans | -115.4 | 94.2 | -174.7 | 45.5 | 0 | 0 | 0 | 0 | 111.7 | Q228 | Q228-T230 HydrophobicContact CB-CG2 4.23Š|
| 231 | E | 35.3 | Very low | 41 | Very low | 194 Ų | 194 | 132 Ų | 132 | 91% | 0.907 | 74% | 0.736 | S | S | * | * | | | trans | -110.7 | 135.1 | 156.5 | -71.2 | -98.9 | 108.7 | 0 | 0 | 107 | | |
| 232 | D | 33 | Very low | 39.5 | Very low | 167 Ų | 167 | 134.2 Ų | 134.2 | 89% | 0.893 | 75% | 0.747 | S | S | * | * | | | trans | -108.9 | -170 | -158.5 | -152.2 | -15.4 | 0 | 0 | 0 | 113.6 | | |
| 233 | A | 29 | Very low | 37.7 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | trans | 96.1 | 121.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 234 | P | 35.1 | Very low | 36.4 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 77% | 0.774 | S | S | * | * | | | trans | -87.3 | 162.4 | 171.3 | 36.6 | -34.9 | 0 | 0 | 0 | 112.3 | | |
| 235 | V | 25.1 | Very low | 35.2 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | | | trans | -117.5 | 124.1 | 166.2 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 236 | H | 31.6 | Very low | 34.4 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.745 | 78% | 0.778 | S | S | * | * | | | trans | -125.9 | 114.8 | 171.2 | -170.5 | -64 | 0 | 0 | 0 | 108.9 | T238 | H236-T238 PolarHBondContact O-N 2.95Š|
| 237 | D | 29.9 | Very low | 33.5 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -65.7 | 121.7 | 174.6 | -68.7 | -54.6 | 0 | 0 | 0 | 110.5 | | |
| 238 | T | 33 | Very low | 33.5 | Very low | 132 Ų | 132 | 147.1 Ų | 147.1 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -154.4 | 154.9 | 150.2 | 2.2 | 0 | 0 | 0 | 0 | 109.4 | H236 | H236-T238 PolarHBondContact O-N 2.95Š|
| 239 | D | 30.6 | Very low | 33.2 | Very low | 142 Ų | 142 | 145.4 Ų | 145.4 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -118.4 | 160 | -160.7 | -157 | 1.6 | 0 | 0 | 0 | 111.6 | | |
| 240 | E | 35 | Very low | 33.4 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | 63.5 | 134.2 | 174 | -49.3 | -75.3 | -159.6 | 0 | 0 | 118 | | |
| 241 | G | 30.4 | Very low | 33.3 | Very low | 78 Ų | 78 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 155.5 | 97.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 242 | E | 33.6 | Very low | 33 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | | | trans | -66.3 | 175.9 | -171.2 | -60.3 | 164 | 129.7 | 0 | 0 | 117.4 | | |
| 243 | D | 32.2 | Very low | 33.1 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | trans | 77.5 | 120.7 | 161.3 | -55.9 | -15.8 | 0 | 0 | 0 | 118.3 | | |
| 244 | E | 36.5 | Very low | 33.3 | Very low | 173 Ų | 173 | 143.3 Ų | 143.3 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | | 70.2 | 137.1 | 78.3 | -66.9 | -171.3 | -179.4 | 0 | 0 | 113 | | |
| 245 | E | 37.3 | Very low | 33.3 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | | | cis | -165 | 169.9 | -4.8 | -105.4 | -69.7 | -159 | 0 | 0 | 107.8 | | |
| 246 | E | 35 | Very low | 34 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | | | trans | 58.9 | 163.9 | 154.1 | -70.3 | 168.2 | -167.4 | 0 | 0 | 119.1 | | |
| 247 | D | 34.1 | Very low | 34.3 | Very low | 129 Ų | 129 | 143.7 Ų | 143.7 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | | | cis | -163.1 | 165.4 | -39.9 | -110.6 | -14.5 | 0 | 0 | 0 | 108.7 | | |
| 248 | E | 39.6 | Very low | 34.7 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 80% | 0.799 | 75% | 0.746 | S | S | * | * | | | trans | 53.6 | 156.8 | 149.1 | -73 | -174.6 | -172.7 | 0 | 0 | 121.5 | | |
| 249 | D | 34.5 | Very low | 34.8 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | | | cis | -164.1 | -177.3 | -36.2 | -144.9 | -20.6 | 0 | 0 | 0 | 108.6 | | |
| 250 | S | 37.5 | Very low | 34.8 | Very low | 90 Ų | 90 | 143.1 Ų | 143.1 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | | | trans | 67.3 | 163.8 | 155.7 | -72.2 | 0 | 0 | 0 | 0 | 119 | | |
| 251 | E | 30.5 | Very low | 34.7 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | | | cis | -178.1 | 178.1 | -38.3 | -113.6 | 165.2 | -92.8 | 0 | 0 | 107.9 | | |
| 252 | S | 29.2 | Very low | 34.7 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | trans | 72.3 | 148.2 | 163.9 | 67.2 | 0 | 0 | 0 | 0 | 119.5 | | |
| 253 | E | 36 | Very low | 34.6 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | | | cis | 173.4 | 163.9 | -37.2 | -94.2 | -93.9 | -144.7 | 0 | 0 | 106.5 | | |
| 254 | E | 32.8 | Very low | 34.6 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | | | trans | 63.2 | 155 | 156.5 | -65.5 | 154.9 | -151.1 | 0 | 0 | 118.4 | | |
| 255 | D | 34.6 | Very low | 34.5 | Very low | 123 Ų | 123 | 146.1 Ų | 146.1 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | | | cis | -159.9 | 159.8 | -15.7 | -110.4 | -12.2 | 0 | 0 | 0 | 114.2 | | |
| 256 | E | 40.8 | Very low | 34.3 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | | | trans | 37.7 | 140.8 | 142.7 | -64.7 | -173.3 | 155.8 | 0 | 0 | 126.8 | | |
| 257 | E | 36.9 | Very low | 34 | Very low | 160 Ų | 160 | 145.6 Ų | 145.6 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | 68.4 | 155.3 | 139.3 | -74.4 | -178.7 | -177.9 | 0 | 0 | 122.2 | | |
| 258 | E | 39.5 | Very low | 33.9 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 71% | 0.71 | 74% | 0.738 | S | S | * | * | | | cis | -160.5 | 159.2 | -20 | 178.5 | 170.2 | -120.8 | 0 | 0 | 109.1 | | |
| 259 | E | 34.1 | Very low | 33.5 | Very low | 180 Ų | 180 | 142.2 Ų | 142.2 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | | | trans | 20.5 | 149.4 | 166.5 | -68.6 | -174.1 | 171.1 | 0 | 0 | 124.5 | | |
| 260 | G | 31.4 | Very low | 33.3 | Very low | 78 Ų | 78 | 141.4 Ų | 141.4 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | 179.9 | 124.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 261 | E | 31.9 | Very low | 33 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | -100.4 | 169 | -171.7 | -59.6 | -179.4 | 114.2 | 0 | 0 | 114.1 | | |
| 262 | E | 30.6 | Very low | 33 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | trans | 77.8 | 137.1 | 149.9 | -79.5 | 173.8 | 179.6 | 0 | 0 | 123.5 | | |
| 263 | E | 32.2 | Very low | 33.3 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | | | trans | 68 | 106 | 143.4 | -69.6 | -172.6 | 178.6 | 0 | 0 | 123.7 | | |
| 264 | E | 32 | Very low | 33.3 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | | | | 75.9 | 139.9 | 114.3 | -77.2 | -163.1 | 177.8 | 0 | 0 | 124.6 | | |
| 265 | E | 33.5 | Very low | 33.2 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | | | trans | 71.7 | 124.4 | 142.3 | -66.4 | -77.6 | 93.3 | 0 | 0 | 122.4 | | |
| 266 | E | 33.8 | Very low | 33 | Very low | 141 Ų | 141 | 141.6 Ų | 141.6 | 66% | 0.659 | 78% | 0.78 | S | S | * | * | | | trans | 81.9 | 120.7 | 136.2 | -62 | -73.2 | 73.9 | 0 | 0 | 124.3 | | |
| 267 | E | 28.8 | Very low | 32.5 | Very low | 155 Ų | 155 | 141.8 Ų | 141.8 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | trans | 51.1 | 112.7 | 136.7 | -56.2 | -149.6 | 130.2 | 0 | 0 | 123.5 | | |
| 268 | S | 31.8 | Very low | 32.3 | Very low | 105 Ų | 105 | 139 Ų | 139 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | | 40.8 | 110 | 119.5 | -56.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 269 | S | 31.2 | Very low | 31.9 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | | -178.1 | 158 | 112.8 | -85.3 | 0 | 0 | 0 | 0 | 114.9 | | |
| 270 | S | 29.8 | Very low | 32 | Very low | 117 Ų | 117 | 132.3 Ų | 132.3 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -76.5 | 149.8 | 169.9 | 51.3 | 0 | 0 | 0 | 0 | 113.2 | | |
| 271 | S | 31.2 | Very low | 32.3 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | trans | -146 | 161.8 | 154.3 | 61.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 272 | E | 31.7 | Very low | 32.4 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | | | trans | -115.8 | 165.1 | -165.4 | -58.7 | -179.1 | 108.6 | 0 | 0 | 113.5 | | |
| 273 | V | 34.7 | Very low | 33.1 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | 107.9 | 130.4 | 136 | 110.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 274 | E | 36.1 | Very low | 33.5 | Very low | 192 Ų | 192 | 125 Ų | 125 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | | | trans | 49.9 | 143.4 | 163.2 | -46.5 | -147.4 | 133.9 | 0 | 0 | 121.3 | | |
| 275 | G | 31.6 | Very low | 34.1 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | | | cis | 173.2 | 141.5 | -6.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 276 | A | 29.9 | Very low | 34.9 | Very low | 103 Ų | 103 | 124.4 Ų | 124.4 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | | | trans | 46.5 | 100.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 277 | V | 29.9 | Very low | 35.9 | Very low | 155 Ų | 155 | 122.3 Ų | 122.3 | 94% | 0.939 | 81% | 0.811 | S | S | * | * | | | trans | -135.1 | 147.1 | 131.9 | -175.7 | 0 | 0 | 0 | 0 | 108 | | |
| 278 | A | 32.2 | Very low | 37.3 | Very low | 101 Ų | 101 | 119.1 Ų | 119.1 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | -101.5 | 132.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 279 | A | 31.7 | Very low | 39 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | -140.3 | 167.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 280 | A | 35.9 | Very low | 41 | Very low | 92 Ų | 92 | 122 Ų | 122 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -72.5 | 154.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | G282 | A280-G282 PolarHBondContact O-N 3.18Å; A280-G282 VanDerWaalsContact O-N 3.12Å |
| 281 | P | 37 | Very low | 43.3 | Very low | 130 Ų | 130 | 119 Ų | 119 | 84% | 0.844 | 78% | 0.782 | S | S | * | * | | | trans | -70.3 | 106.4 | 170.8 | 29.5 | -33.3 | 0 | 0 | 0 | 110.3 | | |
| 282 | G | 35.8 | Very low | 45.7 | Very low | 56 Ų | 56 | 118.6 Ų | 118.6 | 58% | 0.577 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 172.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A280 A284 | A280-G282 PolarHBondContact O-N 3.18Å; A280-G282 VanDerWaalsContact O-N 3.12Å; G282-A284 PolarHBondContact O-N 2.81Å |
| 283 | P | 45.3 | Very low | 48.4 | Very low | 135 Ų | 135 | 112.3 Ų | 112.3 | 88% | 0.877 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.3 | 175.7 | 27 | -33.9 | 0 | 0 | 0 | 109.7 | | |
| 284 | A | 39 | Very low | 51.2 | Low | 97 Ų | 97 | 111.6 Ų | 111.6 | 80% | 0.802 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 134 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | G282 | G282-A284 PolarHBondContact O-N 2.81Š|
| 285 | E | 44.5 | Very low | 53.8 | Low | 180 Ų | 180 | 110.5 Ų | 110.5 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 143.8 | 168.7 | -79.7 | 179.5 | 102.5 | 0 | 0 | 110.7 | A287 | E285-A287 PolarHBondContact O-N 3.5Å; E285-A287 VanDerWaalsContact O-N 3.16Å |
| 286 | P | 50.9 | Low | 56.8 | Low | 122 Ų | 122 | 110.5 Ų | 110.5 | 79% | 0.792 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 119.9 | 167.9 | 28 | -32.5 | 0 | 0 | 0 | 108.2 | A288 | P286-A288 PolarHBondContact O-N 3.38Š|
| 287 | A | 54.4 | Low | 59.9 | Low | 96 Ų | 96 | 108.9 Ų | 108.9 | 79% | 0.793 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 132.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E285 | E285-A287 PolarHBondContact O-N 3.5Å; E285-A287 VanDerWaalsContact O-N 3.16Å |
| 288 | A | 59 | Low | 62.9 | Low | 88 Ų | 88 | 107.2 Ų | 107.2 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -49 | 137.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P286 Q290 | P286-A288 PolarHBondContact O-N 3.38Å; A288-Q290 PolarHBondContact O-N 3.18Å; A288-Q290 VanDerWaalsContact O-N 3.14Å |
| 289 | P | 66.6 | Low | 65.9 | Low | 115 Ų | 115 | 106 Ų | 106 | 75% | 0.747 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 123.5 | -174.2 | 23.9 | -33.7 | 0 | 0 | 0 | 110 | F291 | P289-F291 PolarHBondContact O-N 3.34Š|
| 290 | Q | 73.3 | Confident | 68.9 | Low | 174 Ų | 174 | 103.2 Ų | 103.2 | 81% | 0.813 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -62.7 | -8.9 | -175.7 | -171.2 | 173.4 | 9.5 | 0 | 0 | 113.7 | A288 | A288-Q290 PolarHBondContact O-N 3.18Å; A288-Q290 VanDerWaalsContact O-N 3.14Å |
| 291 | F | 78.3 | Confident | 71.7 | Confident | 56 Ų | 56 | 102.4 Ų | 102.4 | 25% | 0.246 | 62% | 0.622 | C | S | . | * | S | Bend | trans | -127.3 | 136.6 | 177.4 | -55 | -77 | 0 | 0 | 0 | 108.5 | P289 S293 E296 L297 V300 | P289-F291 PolarHBondContact O-N 3.34Å; F291-S293 PolarHBondContact O-N 3.45Å; F291-E296 HydrophobicContact CB-CB 4.26Å; F291-E296 HydrophobicContact CB-CG 4.33Å; F291-E296 HydrophobicContact CD1-CG 4.1Å; F291-L297 HydrophobicContact CB-CB 4.17Å; F291-L297 HydrophobicContact CD2-CB 3.93Å; F291-L297 HydrophobicContact CD2-CD1 3.74Å; F291-L297 HydrophobicContact CD2-CG 4.34Å; F291-L297 HydrophobicContact CE2-CD1 3.63Å; F291-L297 HydrophobicContact CG-CB 4.03Å; F291-L297 HydrophobicContact CZ-CD1 4.35Å; F291-V300 HydrophobicContact CD1-CG2 4.32Å; F291-V300 HydrophobicContact CE1-CB 4.15Å; F291-V300 HydrophobicContact CE1-CG1 4.02Å; F291-V300 HydrophobicContact CE1-CG2 3.96Å; F291-V300 HydrophobicContact CZ-CG1 4.28Å |
| 292 | S | 81.7 | Confident | 74.4 | Confident | 112 Ų | 112 | 103.2 Ų | 103.2 | 78% | 0.783 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -64.5 | -17.8 | -179.5 | 66.7 | 0 | 0 | 0 | 0 | 113.6 | E296 | S292-E296 WeakPolarHBondContact CB-OE2 3.43Å; S292-E296 PolarHBondContact N-OE2 3.12Å; S292-E296 PolarHBondContact OG-OE2 3.5Å |
| 293 | S | 89.6 | Confident | 77.2 | Confident | 52 Ų | 52 | 105.4 Ų | 105.4 | 36% | 0.364 | 61% | 0.612 | S | S | . | * | S | Bend | trans | -158.3 | 158.1 | 175.4 | 64.1 | 0 | 0 | 0 | 0 | 112.9 | F291 K295 E296 L297 | F291-S293 PolarHBondContact O-N 3.45Å; S293-K295 PolarHBondContact O-N 3.38Å; S293-K295 VanDerWaalsContact O-N 3.16Å; S293-E296 WeakPolarHBondContact O-CB 3.28Å; S293-E296 PolarHBondContact O-N 3.21Å; S293-E296 PolarHBondContact OG-N 3.33Å; S293-L297 PolarHBondContact O-N 2.86Å; S293-L297 VanDerWaalsContact O-N 3.07Å |
| 294 | D | 91.6 | Very high | 79.5 | Confident | 115 Ų | 115 | 103.1 Ų | 103.1 | 62% | 0.615 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -54 | -32.2 | 169.1 | -75 | -36.2 | 0 | 0 | 0 | 112.9 | L297 Q298 | D294-L297 PolarHBondContact O-N 2.69Å; D294-Q298 VanDerWaalsContact O-CB 3.28Å; D294-Q298 WeakPolarHBondContact O-CB 3.44Å; D294-Q298 WeakPolarHBondContact O-CG 3.33Å; D294-Q298 PolarHBondContact O-N 3.37Å; D294-Q298 PolarHBondContact O-NE2 3.22Å |
| 295 | K | 92.1 | Very high | 82 | Confident | 168 Ų | 168 | 102.4 Ų | 102.4 | 73% | 0.73 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68 | -37.4 | 177.7 | -61.9 | 175.7 | -174.9 | 169.2 | 0 | 111.6 | S293 S299 | S293-K295 PolarHBondContact O-N 3.38Å; S293-K295 VanDerWaalsContact O-N 3.16Å; K295-S299 WeakPolarHBondContact O-CB 3.42Å; K295-S299 PolarHBondContact O-N 2.78Å |
| 296 | E | 94.1 | Very high | 84.3 | Confident | 72 Ų | 72 | 99.7 Ų | 99.7 | 34% | 0.336 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.2 | -47.7 | 174.3 | -173.1 | -170.8 | 171.1 | 0 | 0 | 110.5 | F291 S292 S293 Q298 S299 V300 | F291-E296 HydrophobicContact CB-CB 4.26Å; F291-E296 HydrophobicContact CB-CG 4.33Å; F291-E296 HydrophobicContact CD1-CG 4.1Å; S292-E296 WeakPolarHBondContact CB-OE2 3.43Å; S292-E296 PolarHBondContact N-OE2 3.12Å; S292-E296 PolarHBondContact OG-OE2 3.5Å; S293-E296 WeakPolarHBondContact O-CB 3.28Å; S293-E296 PolarHBondContact O-N 3.21Å; S293-E296 PolarHBondContact OG-N 3.33Å; E296-Q298 VanDerWaalsContact C-N 3.29Å; E296-Q298 PolarHBondContact O-N 3.11Å; E296-S299 WeakPolarHBondContact O-CB 3.29Å; E296-S299 PolarHBondContact O-N 3.01Å; E296-V300 WeakPolarHBondContact O-CB 3.31Å; E296-V300 WeakPolarHBondContact O-CG2 3.17Å; E296-V300 PolarHBondContact O-N 3.22Å |
| 297 | L | 94.6 | Very high | 86.3 | Confident | 70 Ų | 70 | 97.8 Ų | 97.8 | 37% | 0.366 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -54.2 | -45.9 | 173 | 170.8 | 61.5 | 0 | 0 | 0 | 111.5 | F291 S293 D294 V300 V301 | F291-L297 HydrophobicContact CB-CB 4.17Å; F291-L297 HydrophobicContact CD2-CB 3.93Å; F291-L297 HydrophobicContact CD2-CD1 3.74Å; F291-L297 HydrophobicContact CD2-CG 4.34Å; F291-L297 HydrophobicContact CE2-CD1 3.63Å; F291-L297 HydrophobicContact CG-CB 4.03Å; F291-L297 HydrophobicContact CZ-CD1 4.35Å; S293-L297 PolarHBondContact O-N 2.86Å; S293-L297 VanDerWaalsContact O-N 3.07Å; D294-L297 PolarHBondContact O-N 2.69Å; L297-V300 PolarHBondContact O-N 3.32Å; L297-V301 HydrophobicContact CD1-CG2 4.18Å; L297-V301 WeakPolarHBondContact O-CB 3.48Å; L297-V301 VanDerWaalsContact O-CG2 3.27Å; L297-V301 WeakPolarHBondContact O-CG2 3.4Å; L297-V301 PolarHBondContact O-N 3.19Å |
| 298 | Q | 93.3 | Very high | 87.6 | Confident | 120 Ų | 120 | 98.3 Ų | 98.3 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.5 | -40.4 | 178.7 | -71.6 | 159.6 | 24.8 | 0 | 0 | 112.1 | D294 E296 V301 E302 | D294-Q298 VanDerWaalsContact O-CB 3.28Å; D294-Q298 WeakPolarHBondContact O-CB 3.44Å; D294-Q298 WeakPolarHBondContact O-CG 3.33Å; D294-Q298 PolarHBondContact O-N 3.37Å; D294-Q298 PolarHBondContact O-NE2 3.22Å; E296-Q298 VanDerWaalsContact C-N 3.29Å; E296-Q298 PolarHBondContact O-N 3.11Å; Q298-V301 PolarHBondContact O-N 2.83Å; Q298-E302 WeakPolarHBondContact O-CB 3.26Å; Q298-E302 PolarHBondContact O-N 3.07Å |
| 299 | S | 94.8 | Very high | 88.6 | Confident | 75 Ų | 75 | 98.7 Ų | 98.7 | 52% | 0.524 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -44 | 173.6 | -178.2 | 0 | 0 | 0 | 0 | 111.9 | K295 E296 E302 L303 | K295-S299 WeakPolarHBondContact O-CB 3.42Å; K295-S299 PolarHBondContact O-N 2.78Å; E296-S299 WeakPolarHBondContact O-CB 3.29Å; E296-S299 PolarHBondContact O-N 3.01Å; S299-E302 PolarHBondContact O-N 3.12Å; S299-L303 VanDerWaalsContact O-CB 3.29Å; S299-L303 WeakPolarHBondContact O-CB 3.16Å; S299-L303 PolarHBondContact O-N 3.44Å |
| 300 | V | 94.5 | Very high | 89 | Confident | 42 Ų | 42 | 100.8 Ų | 100.8 | 26% | 0.255 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 176.1 | 170 | 0 | 0 | 0 | 0 | 111 | F291 E296 L297 L303 I304 | F291-V300 HydrophobicContact CD1-CG2 4.32Å; F291-V300 HydrophobicContact CE1-CB 4.15Å; F291-V300 HydrophobicContact CE1-CG1 4.02Å; F291-V300 HydrophobicContact CE1-CG2 3.96Å; F291-V300 HydrophobicContact CZ-CG1 4.28Å; E296-V300 WeakPolarHBondContact O-CB 3.31Å; E296-V300 WeakPolarHBondContact O-CG2 3.17Å; E296-V300 PolarHBondContact O-N 3.22Å; L297-V300 PolarHBondContact O-N 3.32Å; V300-L303 PolarHBondContact O-N 3.03Å; V300-I304 HydrophobicContact CG1-CD1 3.71Å; V300-I304 HydrophobicContact CG1-CG1 4.4Å; V300-I304 VanDerWaalsContact O-CB 3.28Å; V300-I304 WeakPolarHBondContact O-CB 3.23Å; V300-I304 WeakPolarHBondContact O-CD1 3.24Å; V300-I304 WeakPolarHBondContact O-CG1 3.49Å; V300-I304 PolarHBondContact O-N 2.95Å |
| 301 | V | 94.6 | Very high | 89.1 | Confident | 76 Ų | 76 | 96.6 Ų | 96.6 | 46% | 0.461 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.5 | -39.2 | 173.8 | 167.9 | 0 | 0 | 0 | 0 | 111.9 | L297 Q298 T305 | L297-V301 HydrophobicContact CD1-CG2 4.18Å; L297-V301 WeakPolarHBondContact O-CB 3.48Å; L297-V301 VanDerWaalsContact O-CG2 3.27Å; L297-V301 WeakPolarHBondContact O-CG2 3.4Å; L297-V301 PolarHBondContact O-N 3.19Å; Q298-V301 PolarHBondContact O-N 2.83Å; V301-T305 VanDerWaalsContact O-CB 3.26Å; V301-T305 WeakPolarHBondContact O-CB 3.32Å; V301-T305 PolarHBondContact O-N 3.11Å; V301-T305 PolarHBondContact O-OG1 3.41Å |
| 302 | E | 94.1 | Very high | 88.6 | Confident | 147 Ų | 147 | 99.5 Ų | 99.5 | 69% | 0.687 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.7 | -41.5 | 175.2 | -174.5 | 161.7 | -152.5 | 0 | 0 | 111.5 | Q298 S299 T305 Y306 | Q298-E302 WeakPolarHBondContact O-CB 3.26Å; Q298-E302 PolarHBondContact O-N 3.07Å; S299-E302 PolarHBondContact O-N 3.12Å; E302-T305 PolarHBondContact O-N 2.97Å; E302-Y306 VanDerWaalsContact O-CB 3.24Å; E302-Y306 WeakPolarHBondContact O-CB 3.3Å; E302-Y306 PolarHBondContact O-N 3.48Å |
| 303 | L | 95.1 | Very high | 87.1 | Confident | 102 Ų | 102 | 98.4 Ų | 98.4 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 173.7 | 177.6 | 60.5 | 0 | 0 | 0 | 112 | S299 V300 T305 Y306 M307 | S299-L303 VanDerWaalsContact O-CB 3.29Å; S299-L303 WeakPolarHBondContact O-CB 3.16Å; S299-L303 PolarHBondContact O-N 3.44Å; V300-L303 PolarHBondContact O-N 3.03Å; L303-T305 VanDerWaalsContact C-N 3.34Å; L303-Y306 PolarHBondContact O-N 3.5Å; L303-M307 HydrophobicContact CD1-CG 4.29Å; L303-M307 WeakPolarHBondContact O-CB 3.33Å; L303-M307 VanDerWaalsContact O-CG 3.3Å; L303-M307 WeakPolarHBondContact O-CG 3.26Å; L303-M307 PolarHBondContact O-N 3.31Å |
| 304 | I | 92.7 | Very high | 85.4 | Confident | 86 Ų | 86 | 105.3 Ų | 105.3 | 44% | 0.441 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.4 | -43.7 | 174 | -74.5 | 168.2 | 0 | 0 | 0 | 110.3 | V300 M307 H308 | V300-I304 HydrophobicContact CG1-CD1 3.71Å; V300-I304 HydrophobicContact CG1-CG1 4.4Å; V300-I304 VanDerWaalsContact O-CB 3.28Å; V300-I304 WeakPolarHBondContact O-CB 3.23Å; V300-I304 WeakPolarHBondContact O-CD1 3.24Å; V300-I304 WeakPolarHBondContact O-CG1 3.49Å; V300-I304 PolarHBondContact O-N 2.95Å; I304-M307 PolarHBondContact O-N 3.47Å; I304-H308 WeakPolarHBondContact O-CB 3.43Å; I304-H308 PolarHBondContact O-CD2 2.69Å; I304-H308 PolarHBondContact O-N 3.36Å |
| 305 | T | 91.4 | Very high | 83.6 | Confident | 82 Ų | 82 | 110.1 Ų | 110.1 | 50% | 0.503 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.3 | -47.4 | 177.3 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | V301 E302 L303 H308 T309 | V301-T305 VanDerWaalsContact O-CB 3.26Å; V301-T305 WeakPolarHBondContact O-CB 3.32Å; V301-T305 PolarHBondContact O-N 3.11Å; V301-T305 PolarHBondContact O-OG1 3.41Å; E302-T305 PolarHBondContact O-N 2.97Å; L303-T305 VanDerWaalsContact C-N 3.34Å; T305-H308 PolarHBondContact O-N 3.18Å; T305-T309 WeakPolarHBondContact O-CG2 3.43Å; T305-T309 PolarHBondContact O-N 3.49Å; T305-T309 VanDerWaalsContact O-N 3.11Å |
| 306 | Y | 93 | Very high | 81.7 | Confident | 124 Ų | 124 | 111 Ų | 111 | 49% | 0.486 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.9 | -52.9 | 175.8 | 178.9 | -96 | 0 | 0 | 0 | 110.7 | E302 L303 H308 T309 Y310 | E302-Y306 VanDerWaalsContact O-CB 3.24Å; E302-Y306 WeakPolarHBondContact O-CB 3.3Å; E302-Y306 PolarHBondContact O-N 3.48Å; L303-Y306 PolarHBondContact O-N 3.5Å; Y306-H308 VanDerWaalsContact C-N 3.32Å; Y306-H308 PolarHBondContact O-N 3.17Å; Y306-T309 PolarHBondContact O-N 3.32Å; Y306-T309 PolarHBondContact O-OG1 3.16Å; Y306-Y310 HydrophobicContact CD1-CD2 4.37Å; Y306-Y310 HydrophobicContact CD1-CE2 4.31Å; Y306-Y310 AromaticContact CD2-CE2 3.92Å; Y306-Y310 HydrophobicContact CD2-CE2 3.92Å; Y306-Y310 HydrophobicContact CE1-CD2 4.13Å; Y306-Y310 AromaticContact CE1-CE2 3.93Å; Y306-Y310 HydrophobicContact CE1-CE2 3.93Å; Y306-Y310 HydrophobicContact CE2-CD2 4.45Å; Y306-Y310 AromaticContact CE2-CE2 3.52Å; Y306-Y310 HydrophobicContact CE2-CE2 3.52Å; Y306-Y310 HydrophobicContact CG-CE2 4.3Å; Y306-Y310 AromaticContact CZ-CE2 3.5Å; Y306-Y310 VanDerWaalsContact O-CD2 3.25Å; Y306-Y310 WeakPolarHBondContact O-CD2 3.07Å |
| 307 | M | 93.4 | Very high | 79.6 | Confident | 82 Ų | 82 | 116.9 Ų | 116.9 | 40% | 0.404 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -54.9 | -44.4 | 174 | -75.6 | -67.6 | 106.1 | 0 | 0 | 111.8 | L303 I304 T309 Y310 C311 | L303-M307 HydrophobicContact CD1-CG 4.29Å; L303-M307 WeakPolarHBondContact O-CB 3.33Å; L303-M307 VanDerWaalsContact O-CG 3.3Å; L303-M307 WeakPolarHBondContact O-CG 3.26Å; L303-M307 PolarHBondContact O-N 3.31Å; I304-M307 PolarHBondContact O-N 3.47Å; M307-T309 PolarHBondContact O-N 3.22Å; M307-Y310 PolarHBondContact O-N 3.03Å; M307-C311 VanDerWaalsContact O-CB 3.26Å; M307-C311 WeakPolarHBondContact O-CB 3.49Å; M307-C311 PolarHBondContact O-N 2.88Å; M307-C311 PolarHBondContact O-SG 3.27Å |
| 308 | H | 81.7 | Confident | 77.3 | Confident | 107 Ų | 107 | 121.3 Ų | 121.3 | 50% | 0.495 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -60.4 | -28.4 | 175.4 | -87.5 | -63.2 | 0 | 0 | 0 | 114.1 | I304 T305 Y306 Y310 L312 | I304-H308 WeakPolarHBondContact O-CB 3.43Å; I304-H308 PolarHBondContact O-CD2 2.69Å; I304-H308 PolarHBondContact O-N 3.36Å; T305-H308 PolarHBondContact O-N 3.18Å; Y306-H308 VanDerWaalsContact C-N 3.32Å; Y306-H308 PolarHBondContact O-N 3.17Å; H308-Y310 VanDerWaalsContact C-N 3.28Å; H308-Y310 PolarHBondContact O-N 3.36Å; H308-L312 WeakPolarHBondContact O-CD1 3.44Å; H308-L312 VanDerWaalsContact O-CG 3.23Å; H308-L312 WeakPolarHBondContact O-CG 3.47Å; H308-L312 PolarHBondContact O-N 3.07Å |
| 309 | T | 80.9 | Confident | 75 | Confident | 95 Ų | 95 | 117.9 Ų | 117.9 | 58% | 0.583 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -69 | -22.9 | 173.8 | 68.9 | 0 | 0 | 0 | 0 | 114.1 | T305 Y306 M307 | T305-T309 WeakPolarHBondContact O-CG2 3.43Å; T305-T309 PolarHBondContact O-N 3.49Å; T305-T309 VanDerWaalsContact O-N 3.11Å; Y306-T309 PolarHBondContact O-N 3.32Å; Y306-T309 PolarHBondContact O-OG1 3.16Å; M307-T309 PolarHBondContact O-N 3.22Å |
| 310 | Y | 74.4 | Confident | 72.3 | Confident | 160 Ų | 160 | 125.2 Ų | 125.2 | 63% | 0.627 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -106.9 | -30.3 | 179.4 | -61.7 | -78.5 | 0 | 0 | 0 | 113.9 | Y306 M307 H308 | Y306-Y310 HydrophobicContact CD1-CD2 4.37Å; Y306-Y310 HydrophobicContact CD1-CE2 4.31Å; Y306-Y310 AromaticContact CD2-CE2 3.92Å; Y306-Y310 HydrophobicContact CD2-CE2 3.92Å; Y306-Y310 HydrophobicContact CE1-CD2 4.13Å; Y306-Y310 AromaticContact CE1-CE2 3.93Å; Y306-Y310 HydrophobicContact CE1-CE2 3.93Å; Y306-Y310 HydrophobicContact CE2-CD2 4.45Å; Y306-Y310 AromaticContact CE2-CE2 3.52Å; Y306-Y310 HydrophobicContact CE2-CE2 3.52Å; Y306-Y310 HydrophobicContact CG-CE2 4.3Å; Y306-Y310 AromaticContact CZ-CE2 3.5Å; Y306-Y310 VanDerWaalsContact O-CD2 3.25Å; Y306-Y310 WeakPolarHBondContact O-CD2 3.07Å; M307-Y310 PolarHBondContact O-N 3.03Å; H308-Y310 VanDerWaalsContact C-N 3.28Å; H308-Y310 PolarHBondContact O-N 3.36Å |
| 311 | C | 75.7 | Confident | 69.8 | Low | 85 Ų | 85 | 129.3 Ų | 129.3 | 57% | 0.574 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -84.9 | -12.7 | -176 | -65 | 0 | 0 | 0 | 0 | 114.1 | M307 P313 | M307-C311 VanDerWaalsContact O-CB 3.26Å; M307-C311 WeakPolarHBondContact O-CB 3.49Å; M307-C311 PolarHBondContact O-N 2.88Å; M307-C311 PolarHBondContact O-SG 3.27Å; C311-P313 VanDerWaalsContact O-CD 3.28Å; C311-P313 WeakPolarHBondContact O-CD 3.25Å |
| 312 | L | 66.6 | Low | 67.4 | Low | 117 Ų | 117 | 134 Ų | 134 | 61% | 0.613 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -77.4 | 115.9 | 174.4 | -74.8 | 175.6 | 0 | 0 | 0 | 111.2 | H308 | H308-L312 WeakPolarHBondContact O-CD1 3.44Å; H308-L312 VanDerWaalsContact O-CG 3.23Å; H308-L312 WeakPolarHBondContact O-CG 3.47Å; H308-L312 PolarHBondContact O-N 3.07Å |
| 313 | P | 51.5 | Low | 64.8 | Low | 90 Ų | 90 | 134.8 Ų | 134.8 | 58% | 0.584 | 64% | 0.644 | S | S | * | * | | | trans | -64.3 | 143.8 | 175.4 | -18.8 | 32.6 | 0 | 0 | 0 | 110.7 | C311 R315 | C311-P313 VanDerWaalsContact O-CD 3.28Å; C311-P313 WeakPolarHBondContact O-CD 3.25Å; P313-R315 PolarHBondContact O-N 3.34Å |
| 314 | M | 52.8 | Low | 62 | Low | 196 Ų | 196 | 136.3 Ų | 136.3 | 97% | 0.966 | 65% | 0.653 | S | S | * | * | | | trans | -68.5 | 57.6 | -176.8 | -61.5 | -177.3 | 75.1 | 0 | 0 | 114.5 | K316 | M314-K316 VanDerWaalsContact C-N 3.27Å; M314-K316 PolarHBondContact O-N 2.89Å |
| 315 | R | 54.2 | Low | 59.6 | Low | 217 Ų | 217 | 140.6 Ų | 140.6 | 82% | 0.819 | 66% | 0.663 | S | S | * | * | | | trans | -75 | 74.1 | 175.2 | -72.3 | -168.8 | 178.1 | 124.1 | -3.3 | 111.4 | P313 Q317 | P313-R315 PolarHBondContact O-N 3.34Å; R315-Q317 PolarHBondContact O-N 2.91Å |
| 316 | K | 53.3 | Low | 57 | Low | 187 Ų | 187 | 142.6 Ų | 142.6 | 81% | 0.813 | 67% | 0.671 | S | S | * | * | | | trans | 38.8 | 72.1 | 162.3 | -65.8 | -176.1 | 175.8 | -179.8 | 0 | 114.3 | M314 Q318 | M314-K316 VanDerWaalsContact C-N 3.27Å; M314-K316 PolarHBondContact O-N 2.89Å; K316-Q318 PolarHBondContact O-N 3.37Å |
| 317 | Q | 48.5 | Very low | 54.4 | Low | 194 Ų | 194 | 144.2 Ų | 144.2 | 91% | 0.907 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | 55 | 174.4 | -160.9 | -174.4 | 21.8 | 0 | 0 | 112.3 | R315 | R315-Q317 PolarHBondContact O-N 2.91Š|
| 318 | Q | 46.9 | Very low | 51.8 | Low | 164 Ų | 164 | 145.1 Ų | 145.1 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | 2 | -172.9 | -148.1 | 175.4 | 23.4 | 0 | 0 | 112.8 | K316 | K316-Q318 PolarHBondContact O-N 3.37Š|
| 319 | G | 45.4 | Very low | 49.7 | Very low | 47 Ų | 47 | 150.7 Ų | 150.7 | 49% | 0.485 | 72% | 0.718 | S | S | . | * | S | Bend | trans | -111.1 | -16.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 320 | W | 36.6 | Very low | 47.2 | Very low | 229 Ų | 229 | 155.5 Ų | 155.5 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -83.8 | -41.6 | -170 | -72 | 57 | 0 | 0 | 0 | 112.8 | R322 K323 | W320-R322 PolarHBondContact O-N 2.71Å; W320-K323 PolarHBondContact O-N 3.05Å |
| 321 | D | 43.7 | Very low | 45.1 | Very low | 129 Ų | 129 | 159.5 Ų | 159.5 | 69% | 0.69 | 75% | 0.748 | S | S | * | * | H | α-helix | trans | -58.2 | -22.9 | 178.3 | -166.9 | -93.6 | 0 | 0 | 0 | 114.3 | R325 | D321-R325 IonicContact OD1-NH1 2.69Å |
| 322 | R | 43 | Very low | 43 | Very low | 175 Ų | 175 | 162.3 Ų | 162.3 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | H | α-helix | trans | -78.5 | -28 | -177.2 | -67.4 | -173 | 179.4 | -119.7 | -1.7 | 113.9 | W320 | W320-R322 PolarHBondContact O-N 2.71Å |
| 323 | K | 38.9 | Very low | 41.3 | Very low | 163 Ų | 163 | 164.4 Ų | 164.4 | 71% | 0.709 | 77% | 0.767 | S | S | * | * | H | α-helix | trans | -80.4 | -29.4 | -164.2 | -163.4 | 170.8 | -178.3 | -178.6 | 0 | 114.2 | W320 | W320-K323 PolarHBondContact O-N 3.05Å |
| 324 | D | 37.6 | Very low | 40.6 | Very low | 134 Ų | 134 | 165.5 Ų | 165.5 | 72% | 0.717 | 77% | 0.774 | S | S | * | * | H | α-helix | trans | -70 | -35.4 | 179.8 | -142.9 | -102.1 | 0 | 0 | 0 | 111.9 | D326 | D324-D326 VanDerWaalsContact C-N 3.28Å; D324-D326 PolarHBondContact O-N 2.98Å |
| 325 | R | 41.7 | Very low | 39.3 | Very low | 176 Ų | 176 | 162 Ų | 162 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -73.2 | -16.3 | -178.5 | -159.8 | 159.4 | 69.1 | -131.2 | 5.7 | 114.2 | D321 | D321-R325 IonicContact OD1-NH1 2.69Å |
| 326 | D | 37.1 | Very low | 38.5 | Very low | 124 Ų | 124 | 157.7 Ų | 157.7 | 66% | 0.663 | 76% | 0.757 | S | S | * | * | H | α-helix | trans | -89.3 | -18.7 | -179.2 | -76.1 | -25.2 | 0 | 0 | 0 | 114 | D324 S328 | D324-D326 VanDerWaalsContact C-N 3.28Å; D324-D326 PolarHBondContact O-N 2.98Å; D326-S328 VanDerWaalsContact C-N 3.29Å; D326-S328 PolarHBondContact O-N 3.45Å |
| 327 | L | 38.5 | Very low | 37.5 | Very low | 157 Ų | 157 | 154.6 Ų | 154.6 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -16.1 | 173.7 | -69.2 | 178.6 | 0 | 0 | 0 | 113.4 | | |
| 328 | S | 39.6 | Very low | 36.7 | Very low | 101 Ų | 101 | 156.2 Ų | 156.2 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -6 | -177.2 | -69 | 0 | 0 | 0 | 0 | 115.1 | D326 | D326-S328 VanDerWaalsContact C-N 3.29Å; D326-S328 PolarHBondContact O-N 3.45Å |
| 329 | R | 37.1 | Very low | 36 | Very low | 224 Ų | 224 | 154.4 Ų | 154.4 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | | | trans | -148.1 | 72.5 | -176.3 | -78.3 | -167.7 | 173 | -107.1 | 0.8 | 115.8 | | |
| 330 | Q | 28.3 | Very low | 35.2 | Very low | 196 Ų | 196 | 156.7 Ų | 156.7 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | | | trans | -146.3 | 103 | 148.7 | -75.6 | -156 | 11 | 0 | 0 | 113.4 | | |
| 331 | R | 29.8 | Very low | 34.7 | Very low | 245 Ų | 245 | 153 Ų | 153 | 93% | 0.925 | 77% | 0.768 | S | S | * | * | | | trans | -170.7 | 75 | 133 | -160.7 | 174.1 | -170 | 164.2 | 4.3 | 114.4 | | |
| 332 | T | 31.6 | Very low | 34.3 | Very low | 144 Ų | 144 | 153.3 Ų | 153.3 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | | | trans | -154.3 | 126 | 146.4 | 28.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 333 | K | 32 | Very low | 33.7 | Very low | 160 Ų | 160 | 151.4 Ų | 151.4 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | | | trans | -108.5 | 121.1 | 174.4 | -177 | -161.7 | 178.4 | -152.3 | 0 | 108.7 | D335 | K333-D335 WeakPolarHBondContact CE-OD1 3.23Å; K333-D335 VanDerWaalsContact CE-OD2 3.31Å; K333-D335 WeakPolarHBondContact CE-OD2 3.28Å; K333-D335 IonicContact NZ-OD1 3.7Å; K333-D335 PolarHBondContact NZ-OD1 3.41Å; K333-D335 IonicContact NZ-OD2 3.8Å; K333-D335 PolarHBondContact NZ-OD2 2.88Å |
| 334 | P | 35.1 | Very low | 33.3 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 73% | 0.734 | 78% | 0.783 | S | S | * | * | | | trans | -93.6 | 118.9 | 162.9 | 32.7 | -26 | 0 | 0 | 0 | 109.8 | | |
| 335 | D | 26.9 | Very low | 33 | Very low | 122 Ų | 122 | 151.7 Ų | 151.7 | 65% | 0.652 | 79% | 0.79 | S | S | * | * | | | trans | -80 | 143.8 | 165.5 | -83.1 | -63.8 | 0 | 0 | 0 | 110.6 | K333 | K333-D335 WeakPolarHBondContact CE-OD1 3.23Å; K333-D335 VanDerWaalsContact CE-OD2 3.31Å; K333-D335 WeakPolarHBondContact CE-OD2 3.28Å; K333-D335 IonicContact NZ-OD1 3.7Å; K333-D335 PolarHBondContact NZ-OD1 3.41Å; K333-D335 IonicContact NZ-OD2 3.8Å; K333-D335 PolarHBondContact NZ-OD2 2.88Å |
| 336 | V | 35.9 | Very low | 32.5 | Very low | 128 Ų | 128 | 149.1 Ų | 149.1 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | | | trans | -104.9 | 134.1 | 179.7 | 175.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 337 | P | 33.7 | Very low | 32.3 | Very low | 122 Ų | 122 | 154.5 Ų | 154.5 | 79% | 0.792 | 81% | 0.81 | S | S | * | * | | | trans | -131 | 132.2 | 130.9 | 33.3 | -23.1 | 0 | 0 | 0 | 112.7 | | |
| 338 | R | 31.7 | Very low | 31.8 | Very low | 228 Ų | 228 | 153.6 Ų | 153.6 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82 | 124.7 | 169.4 | -174.2 | -172.7 | -156.5 | 156.8 | 4 | 108 | | |
| 339 | P | 32.6 | Very low | 31.4 | Very low | 125 Ų | 125 | 154.6 Ų | 154.6 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 147.4 | 178.3 | 28.1 | -33.9 | 0 | 0 | 0 | 111.5 | | |
| 340 | A | 27.3 | Very low | 31 | Very low | 96 Ų | 96 | 151.3 Ų | 151.3 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 158.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 341 | N | 27 | Very low | 31.1 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126.1 | 175.7 | 175.3 | 16.4 | 0 | 0 | 0 | 111.3 | | |
| 342 | T | 35.8 | Very low | 31.3 | Very low | 136 Ų | 136 | 142 Ų | 142 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | | | trans | -137 | 140.9 | 158.4 | 53.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 343 | N | 29.3 | Very low | 31.2 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 79% | 0.792 | S | S | * | * | | | trans | -101.8 | 133.3 | -173.4 | 178 | 18.6 | 0 | 0 | 0 | 111.6 | | |
| 344 | S | 30.5 | Very low | 31.6 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | | | trans | -162.1 | 143.2 | 159.9 | -84.5 | 0 | 0 | 0 | 0 | 112 | | |
| 345 | H | 31.8 | Very low | 31.2 | Very low | 184 Ų | 184 | 135.1 Ų | 135.1 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | | | trans | -80.2 | 142.1 | 180 | -60.4 | -78.8 | 0 | 0 | 0 | 112.7 | | |
| 346 | S | 30.6 | Very low | 31.4 | Very low | 123 Ų | 123 | 135.7 Ų | 135.7 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | trans | -149.3 | 159.3 | 135.1 | -164.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 347 | R | 32.4 | Very low | 31.1 | Very low | 236 Ų | 236 | 135.4 Ų | 135.4 | 89% | 0.891 | 80% | 0.803 | S | S | * | * | | | trans | -100.7 | 146.2 | 176.2 | -60.1 | 171 | 177.5 | 165.4 | -2.9 | 109.2 | | |
| 348 | V | 29.5 | Very low | 30.9 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | trans | -169 | 145.6 | 134.8 | 135.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 349 | V | 29.5 | Very low | 30.7 | Very low | 123 Ų | 123 | 127.3 Ų | 127.3 | 75% | 0.745 | 80% | 0.797 | S | S | * | * | | | trans | -106 | 140 | 175.9 | 171.4 | 0 | 0 | 0 | 0 | 108.7 | V351 | V349-V351 HydrophobicContact CG1-CG2 4.28Š|
| 350 | L | 30.5 | Very low | 30.7 | Very low | 155 Ų | 155 | 128 Ų | 128 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -176.2 | 100.1 | 155 | -96.8 | 160.9 | 0 | 0 | 0 | 105.2 | | |
| 351 | V | 29.1 | Very low | 30.9 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | | | | 58.9 | 108 | 81.7 | -178.4 | 0 | 0 | 0 | 0 | 112.2 | V349 | V349-V351 HydrophobicContact CG1-CG2 4.28Š|
| 352 | S | 34.1 | Very low | 31 | Very low | 127 Ų | 127 | 127 Ų | 127 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -107 | 109.1 | 175.6 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 353 | A | 29.5 | Very low | 30.6 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -166.4 | 168.7 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 354 | P | 41.5 | Very low | 30.7 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | | | | -135.3 | -177.8 | -68.6 | 40.1 | -25.3 | 0 | 0 | 0 | 112.4 | | |
| 355 | G | 26.8 | Very low | 30.7 | Very low | 58 Ų | 58 | 124.2 Ų | 124.2 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | | | trans | 90.5 | 118.5 | 136.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 356 | T | 30.7 | Very low | 30.7 | Very low | 133 Ų | 133 | 120.3 Ų | 120.3 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | | | | 60.2 | 123.4 | 124.1 | 52.6 | 0 | 0 | 0 | 0 | 122.9 | | |
| 357 | S | 29 | Very low | 30.9 | Very low | 122 Ų | 122 | 120 Ų | 120 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | 97.5 | 146.1 | 130.9 | 79.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 358 | G | 29.5 | Very low | 30.9 | Very low | 77 Ų | 77 | 114.6 Ų | 114.6 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | 90.6 | 136.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 359 | S | 28.5 | Very low | 31.4 | Very low | 104 Ų | 104 | 112.6 Ų | 112.6 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -161.1 | 135.3 | -17.4 | -148.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 360 | L | 31.9 | Very low | 32 | Very low | 140 Ų | 140 | 111.6 Ų | 111.6 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | | | trans | 38.9 | 129.6 | 140.8 | -60.9 | 175.5 | 0 | 0 | 0 | 122.3 | | |
| 361 | N | 32.2 | Very low | 32.2 | Very low | 156 Ų | 156 | 115.2 Ų | 115.2 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | | | trans | 74.2 | 145.8 | 147.6 | -51.7 | -15.7 | 0 | 0 | 0 | 118.9 | | |
| 362 | G | 27.5 | Very low | 32.4 | Very low | 69 Ų | 69 | 121 Ų | 121 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | | | cis | 147.3 | 73.1 | -7.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 363 | T | 29.3 | Very low | 32.7 | Very low | 140 Ų | 140 | 122 Ų | 122 | 86% | 0.859 | 77% | 0.772 | S | S | * | * | | | trans | -160.6 | 150.8 | 171.7 | 33.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 364 | S | 30.5 | Very low | 33.4 | Very low | 97 Ų | 97 | 123.2 Ų | 123.2 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | | | cis | -163.4 | 168.6 | -15.7 | 55.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 365 | S | 31.1 | Very low | 33.2 | Very low | 94 Ų | 94 | 125.4 Ų | 125.4 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | trans | 53.1 | 96.4 | 147.4 | 58.6 | 0 | 0 | 0 | 0 | 120.6 | | |
| 366 | S | 31.7 | Very low | 33.9 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | | | | 39.9 | 109.3 | 121.9 | 61.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 367 | S | 35.3 | Very low | 34.4 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | 37.8 | 103.3 | 131.3 | 63.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 368 | S | 32.4 | Very low | 35.2 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -157 | 125.7 | 136 | 59.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 369 | A | 39.1 | Very low | 36 | Very low | 96 Ų | 96 | 146.6 Ų | 146.6 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | | | trans | -95.3 | 160.3 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 370 | P | 43.1 | Very low | 36.8 | Very low | 101 Ų | 101 | 150.3 Ų | 150.3 | 66% | 0.656 | 80% | 0.801 | S | S | * | * | | | | -155.2 | 159.5 | 102.4 | 40.1 | -23 | 0 | 0 | 0 | 117.3 | | |
| 371 | R | 33.4 | Very low | 37.6 | Very low | 232 Ų | 232 | 152.3 Ų | 152.3 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | | | trans | 67 | 144.3 | 163.7 | -23.3 | -177.5 | -150.2 | -136.1 | 1.1 | 116.6 | | |
| 372 | R | 32.9 | Very low | 38.5 | Very low | 239 Ų | 239 | 153.9 Ų | 153.9 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | | | cis | -155.8 | 159.5 | -20.6 | -118.1 | -178.5 | -174.7 | -176.6 | 0.9 | 108.1 | | |
| 373 | L | 41.7 | Very low | 39.9 | Very low | 149 Ų | 149 | 154 Ų | 154 | 78% | 0.78 | 80% | 0.802 | S | S | * | * | | | trans | -84 | 172.8 | -175.8 | -63.1 | 161.6 | 0 | 0 | 0 | 112.7 | | |
| 374 | P | 43.2 | Very low | 41.3 | Very low | 112 Ų | 112 | 153.7 Ų | 153.7 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | | -137.5 | 126.7 | 91.4 | 20.4 | 0.8 | 0 | 0 | 0 | 116.7 | | |
| 375 | F | 37.4 | Very low | 43.2 | Very low | 174 Ų | 174 | 151.9 Ų | 151.9 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | | | trans | 47.3 | 99 | 141.1 | -46.8 | -60.6 | 0 | 0 | 0 | 121.8 | | |
| 376 | A | 41.8 | Very low | 44.8 | Very low | 102 Ų | 102 | 153.5 Ų | 153.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | -76.8 | 125.9 | 143.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | R378 | A376-R378 PolarHBondContact O-N 2.69Å; A376-R378 VanDerWaalsContact O-N 3.08Å |
| 377 | R | 41.5 | Very low | 46.2 | Very low | 253 Ų | 253 | 154.6 Ų | 154.6 | 96% | 0.955 | 78% | 0.78 | S | S | * | * | | | trans | -74.6 | 94.3 | 169.1 | -90 | -172.1 | 168.9 | -173.3 | -3.1 | 110.3 | | |
| 378 | R | 46.1 | Very low | 47.8 | Very low | 230 Ų | 230 | 156.6 Ų | 156.6 | 87% | 0.868 | 77% | 0.77 | S | S | * | * | | | trans | -61.6 | 137.6 | 148.5 | -82.4 | -175.4 | 170.9 | -92.8 | 0.9 | 107.6 | A376 E380 | A376-R378 PolarHBondContact O-N 2.69Å; A376-R378 VanDerWaalsContact O-N 3.08Å; R378-E380 PolarHBondContact O-N 3.14Å |
| 379 | R | 45.3 | Very low | 49.7 | Very low | 249 Ų | 249 | 155.3 Ų | 155.3 | 94% | 0.94 | 75% | 0.751 | S | S | * | * | | | trans | -82.7 | 107.4 | 172.7 | -153.9 | -179.7 | -159.1 | -179.1 | 5.7 | 107.5 | M381 | R379-M381 PolarHBondContact O-N 2.93Š|
| 380 | E | 45.2 | Very low | 51.2 | Low | 183 Ų | 183 | 155.2 Ų | 155.2 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 130.7 | 171.7 | -69 | 171.6 | 172.4 | 0 | 0 | 109 | R378 K382 | R378-E380 PolarHBondContact O-N 3.14Å; E380-K382 PolarHBondContact O-N 3.49Å |
| 381 | M | 49.2 | Very low | 52.3 | Low | 182 Ų | 182 | 156.1 Ų | 156.1 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 116.1 | 166 | 57.2 | -172.2 | 176.6 | 0 | 0 | 107.8 | R379 A383 | R379-M381 PolarHBondContact O-N 2.93Å; M381-A383 PolarHBondContact O-N 3.36Å; M381-A383 VanDerWaalsContact O-N 3.13Å |
| 382 | K | 49.8 | Very low | 53.8 | Low | 189 Ų | 189 | 152 Ų | 152 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 117.9 | 167.7 | -79.2 | -170.4 | 171.6 | -172.4 | 0 | 107.5 | E380 N384 | E380-K382 PolarHBondContact O-N 3.49Å; K382-N384 PolarHBondContact O-N 3.4Å |
| 383 | A | 57.2 | Low | 54.8 | Low | 72 Ų | 72 | 146.7 Ų | 146.7 | 60% | 0.595 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -59.3 | -34.5 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | M381 | M381-A383 PolarHBondContact O-N 3.36Å; M381-A383 VanDerWaalsContact O-N 3.13Å |
| 384 | N | 60.3 | Low | 55.4 | Low | 133 Ų | 133 | 142.9 Ų | 142.9 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | | | trans | -100.3 | 106.8 | 175.3 | -54.7 | 5.6 | 0 | 0 | 0 | 107.8 | K382 | K382-N384 PolarHBondContact O-N 3.4Š|
| 385 | S | 70.4 | Confident | 55.7 | Low | 58 Ų | 58 | 141.8 Ų | 141.8 | 41% | 0.406 | 69% | 0.692 | S | S | . | * | | | trans | -106.3 | 129.4 | 166.4 | 173 | 0 | 0 | 0 | 0 | 107 | L387 R388 E389 | S385-L387 PolarHBondContact O-N 3.1Å; S385-L387 VanDerWaalsContact O-N 3.15Å; S385-L387 PolarHBondContact OG-N 2.9Å; S385-R388 WeakPolarHBondContact O-CA 3.26Å; S385-R388 WeakPolarHBondContact O-CB 3.41Å; S385-R388 PolarHBondContact O-N 2.75Å; S385-E389 PolarHBondContact O-N 2.88Å |
| 386 | L | 64.2 | Low | 56.2 | Low | 129 Ų | 129 | 139.1 Ų | 139.1 | 68% | 0.675 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -52.9 | -37.6 | 176.5 | -171.4 | 75 | 0 | 0 | 0 | 111.2 | R388 E389 L390 | L386-R388 VanDerWaalsContact C-N 3.3Å; L386-R388 PolarHBondContact O-N 3.42Å; L386-E389 PolarHBondContact O-N 2.79Å; L386-L390 HydrophobicContact CD2-CD1 4.45Å; L386-L390 HydrophobicContact CG-CD1 4.08Å; L386-L390 HydrophobicContact CG-CG 4.44Å; L386-L390 WeakPolarHBondContact O-CB 3.37Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 3.34Å; L386-L390 PolarHBondContact O-N 2.92Å |
| 387 | L | 60.9 | Low | 56.6 | Low | 124 Ų | 124 | 142.6 Ų | 142.6 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -66.1 | -31.4 | 176.8 | -155 | 108.7 | 0 | 0 | 0 | 112.8 | S385 L391 | S385-L387 PolarHBondContact O-N 3.1Å; S385-L387 VanDerWaalsContact O-N 3.15Å; S385-L387 PolarHBondContact OG-N 2.9Å; L387-L391 HydrophobicContact CD2-CD1 4.21Å; L387-L391 VanDerWaalsContact O-CB 3.31Å; L387-L391 WeakPolarHBondContact O-CB 3.49Å; L387-L391 WeakPolarHBondContact O-CD1 3.46Å; L387-L391 WeakPolarHBondContact O-CG 3.33Å; L387-L391 PolarHBondContact O-N 3.29Å |
| 388 | R | 68.7 | Low | 57 | Low | 159 Ų | 159 | 134.7 Ų | 134.7 | 60% | 0.6 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.9 | -37 | 173.7 | -175.1 | -177 | -176.3 | 178.1 | 5 | 111.1 | S385 L386 L391 Q392 | S385-R388 WeakPolarHBondContact O-CA 3.26Å; S385-R388 WeakPolarHBondContact O-CB 3.41Å; S385-R388 PolarHBondContact O-N 2.75Å; L386-R388 VanDerWaalsContact C-N 3.3Å; L386-R388 PolarHBondContact O-N 3.42Å; R388-L391 PolarHBondContact O-N 3.38Å; R388-Q392 VanDerWaalsContact O-CB 3.27Å; R388-Q392 WeakPolarHBondContact O-CB 3.35Å; R388-Q392 PolarHBondContact O-N 3.33Å |
| 389 | E | 72.5 | Confident | 57.4 | Low | 96 Ų | 96 | 128.9 Ų | 128.9 | 45% | 0.449 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -66.6 | -47.7 | 177.6 | -172.3 | 166.8 | -176.5 | 0 | 0 | 111.2 | S385 L386 L391 Q392 Q393 | S385-E389 PolarHBondContact O-N 2.88Å; L386-E389 PolarHBondContact O-N 2.79Å; E389-L391 PolarHBondContact O-N 3.04Å; E389-Q392 CarbonylContact O-C 3.55Å; E389-Q392 WeakPolarHBondContact O-CA 3.37Å; E389-Q392 WeakPolarHBondContact O-CB 3.38Å; E389-Q392 PolarHBondContact O-N 2.77Å; E389-Q393 WeakPolarHBondContact O-CB 3.32Å; E389-Q393 WeakPolarHBondContact O-CG 3.42Å; E389-Q393 PolarHBondContact O-N 2.87Å |
| 390 | L | 70.8 | Confident | 57.8 | Low | 93 Ų | 93 | 121.6 Ų | 121.6 | 49% | 0.487 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -59.5 | -42.6 | 172.3 | -68.9 | 168.7 | 0 | 0 | 0 | 111.9 | L386 Q392 Q393 S394 | L386-L390 HydrophobicContact CD2-CD1 4.45Å; L386-L390 HydrophobicContact CG-CD1 4.08Å; L386-L390 HydrophobicContact CG-CG 4.44Å; L386-L390 WeakPolarHBondContact O-CB 3.37Å; L386-L390 VanDerWaalsContact O-CG 3.3Å; L386-L390 WeakPolarHBondContact O-CG 3.34Å; L386-L390 PolarHBondContact O-N 2.92Å; L390-Q392 PolarHBondContact O-N 3.05Å; L390-Q393 PolarHBondContact O-N 3.34Å; L390-S394 WeakPolarHBondContact O-CB 3.24Å; L390-S394 PolarHBondContact O-N 3.12Å; L390-S394 PolarHBondContact O-OG 3.44Å |
| 391 | L | 65.6 | Low | 58.2 | Low | 121 Ų | 121 | 119.6 Ų | 119.6 | 63% | 0.634 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.2 | -18.2 | 174.3 | -74.5 | 170.4 | 0 | 0 | 0 | 114 | L387 R388 E389 S394 | L387-L391 HydrophobicContact CD2-CD1 4.21Å; L387-L391 VanDerWaalsContact O-CB 3.31Å; L387-L391 WeakPolarHBondContact O-CB 3.49Å; L387-L391 WeakPolarHBondContact O-CD1 3.46Å; L387-L391 WeakPolarHBondContact O-CG 3.33Å; L387-L391 PolarHBondContact O-N 3.29Å; R388-L391 PolarHBondContact O-N 3.38Å; E389-L391 PolarHBondContact O-N 3.04Å; L391-S394 WeakPolarHBondContact CA-OG 3.21Å; L391-S394 PolarHBondContact O-OG 3.08Å |
| 392 | Q | 64.6 | Low | 58.1 | Low | 145 Ų | 145 | 116.8 Ų | 116.8 | 68% | 0.678 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -88.6 | -31.4 | 174.6 | -164.8 | 79.7 | 69.4 | 0 | 0 | 111.1 | R388 E389 L390 | R388-Q392 VanDerWaalsContact O-CB 3.27Å; R388-Q392 WeakPolarHBondContact O-CB 3.35Å; R388-Q392 PolarHBondContact O-N 3.33Å; E389-Q392 CarbonylContact O-C 3.55Å; E389-Q392 WeakPolarHBondContact O-CA 3.37Å; E389-Q392 WeakPolarHBondContact O-CB 3.38Å; E389-Q392 PolarHBondContact O-N 2.77Å; L390-Q392 PolarHBondContact O-N 3.05Å |
| 393 | Q | 54.4 | Low | 57.8 | Low | 127 Ų | 127 | 115.8 Ų | 115.8 | 59% | 0.593 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -77 | -32.6 | 173.8 | -73 | 172 | -16.2 | 0 | 0 | 112.3 | E389 L390 S395 | E389-Q393 WeakPolarHBondContact O-CB 3.32Å; E389-Q393 WeakPolarHBondContact O-CG 3.42Å; E389-Q393 PolarHBondContact O-N 2.87Å; L390-Q393 PolarHBondContact O-N 3.34Å; Q393-S395 PolarHBondContact O-N 2.91Å |
| 394 | S | 53.2 | Low | 57.5 | Low | 70 Ų | 70 | 124.1 Ų | 124.1 | 49% | 0.49 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -73.2 | 69.2 | 169.1 | 70.1 | 0 | 0 | 0 | 0 | 110.7 | L390 L391 S396 | L390-S394 WeakPolarHBondContact O-CB 3.24Å; L390-S394 PolarHBondContact O-N 3.12Å; L390-S394 PolarHBondContact O-OG 3.44Å; L391-S394 WeakPolarHBondContact CA-OG 3.21Å; L391-S394 PolarHBondContact O-OG 3.08Å; S394-S396 PolarHBondContact O-N 3.08Å |
| 395 | S | 50.8 | Low | 56.8 | Low | 89 Ų | 89 | 124.7 Ų | 124.7 | 62% | 0.622 | 64% | 0.639 | S | S | * | * | | | trans | -56.6 | 138.4 | 173 | 61.9 | 0 | 0 | 0 | 0 | 109.9 | Q393 F397 | Q393-S395 PolarHBondContact O-N 2.91Å; S395-F397 PolarHBondContact O-N 3.06Å |
| 396 | S | 48.7 | Very low | 55.4 | Low | 117 Ų | 117 | 130.4 Ų | 130.4 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | | | trans | -60.4 | 111 | -169.1 | 53.1 | 0 | 0 | 0 | 0 | 112 | S394 D398 | S394-S396 PolarHBondContact O-N 3.08Å; S396-D398 PolarHBondContact O-N 3.34Å |
| 397 | F | 49.2 | Very low | 54.2 | Low | 175 Ų | 175 | 128.6 Ų | 128.6 | 77% | 0.768 | 66% | 0.657 | S | S | * | * | | | trans | -64.2 | 122.2 | 169.5 | -83.5 | -93.1 | 0 | 0 | 0 | 110 | S395 V399 | S395-F397 PolarHBondContact O-N 3.06Å; F397-V399 PolarHBondContact O-N 3Å |
| 398 | D | 50.9 | Low | 53.6 | Low | 87 Ų | 87 | 128.2 Ų | 128.2 | 47% | 0.465 | 66% | 0.662 | S | S | . | * | | | trans | -74.3 | 87.3 | 179.9 | 175.1 | 20.5 | 0 | 0 | 0 | 111.2 | S396 S400 K401 | S396-D398 PolarHBondContact O-N 3.34Å; D398-S400 VanDerWaalsContact CG-OG 3.23Å; D398-S400 PolarHBondContact O-N 3.37Å; D398-S400 VanDerWaalsContact OD1-CB 3.23Å; D398-S400 WeakPolarHBondContact OD1-CB 3.38Å; D398-S400 PolarHBondContact OD1-N 3.4Å; D398-S400 VanDerWaalsContact OD1-N 3.1Å; D398-S400 PolarHBondContact OD1-OG 2.73Å; D398-S400 PolarHBondContact OD2-OG 2.83Å; D398-K401 PolarHBondContact O-N 3.25Å; D398-K401 IonicContact OD2-NZ 2.6Å; D398-K401 PolarHBondContact OD2-NZ 2.92Å |
| 399 | V | 53.2 | Low | 52.3 | Low | 109 Ų | 109 | 126.2 Ų | 126.2 | 66% | 0.661 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 5.4 | 176.9 | -64.9 | 0 | 0 | 0 | 0 | 114.4 | F397 | F397-V399 PolarHBondContact O-N 3Š|
| 400 | S | 53.8 | Low | 50.5 | Low | 96 Ų | 96 | 132 Ų | 132 | 67% | 0.671 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -12.4 | 169 | 75.5 | 0 | 0 | 0 | 0 | 113.4 | D398 | D398-S400 VanDerWaalsContact CG-OG 3.23Å; D398-S400 PolarHBondContact O-N 3.37Å; D398-S400 VanDerWaalsContact OD1-CB 3.23Å; D398-S400 WeakPolarHBondContact OD1-CB 3.38Å; D398-S400 PolarHBondContact OD1-N 3.4Å; D398-S400 VanDerWaalsContact OD1-N 3.1Å; D398-S400 PolarHBondContact OD1-OG 2.73Å; D398-S400 PolarHBondContact OD2-OG 2.83Å |
| 401 | K | 52.9 | Low | 48.6 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 61% | 0.609 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -103 | 134.2 | 176.1 | -58.4 | -169.4 | -178.9 | 75.7 | 0 | 111.1 | D398 Y403 | D398-K401 PolarHBondContact O-N 3.25Å; D398-K401 IonicContact OD2-NZ 2.6Å; D398-K401 PolarHBondContact OD2-NZ 2.92Å; K401-Y403 PolarHBondContact O-N 3.3Å |
| 402 | P | 47.6 | Very low | 47.1 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 80% | 0.799 | 71% | 0.707 | S | S | * | * | | | trans | -68 | 134.1 | 178.4 | 28.2 | -34.1 | 0 | 0 | 0 | 111 | R404 | P402-R404 PolarHBondContact O-N 3.35Š|
| 403 | Y | 44.7 | Very low | 45.6 | Very low | 169 Ų | 169 | 133 Ų | 133 | 66% | 0.663 | 71% | 0.706 | S | S | * | * | | | trans | -60.5 | 106.2 | -177.7 | -68.2 | -90.9 | 0 | 0 | 0 | 112.4 | K401 L405 | K401-Y403 PolarHBondContact O-N 3.3Å; Y403-L405 HydrophobicContact CD1-CD1 4.01Å; Y403-L405 HydrophobicContact CD1-CG 4.22Å |
| 404 | R | 50.8 | Low | 44.5 | Very low | 246 Ų | 246 | 136.2 Ų | 136.2 | 93% | 0.928 | 72% | 0.721 | S | S | * | * | | | trans | -103 | 74 | 153.2 | -80.4 | -171.6 | 170.9 | -174.1 | -3.1 | 108.9 | P402 H406 | P402-R404 PolarHBondContact O-N 3.35Å; R404-H406 PolarHBondContact O-N 3.48Å |
| 405 | L | 45.2 | Very low | 43.4 | Very low | 146 Ų | 146 | 138.1 Ų | 138.1 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | trans | -86.2 | 99 | 165 | -68.2 | 179.4 | 0 | 0 | 0 | 108.1 | Y403 | Y403-L405 HydrophobicContact CD1-CD1 4.01Å; Y403-L405 HydrophobicContact CD1-CG 4.22Å |
| 406 | H | 40.4 | Very low | 43.3 | Very low | 177 Ų | 177 | 139.5 Ų | 139.5 | 82% | 0.819 | 74% | 0.741 | S | S | * | * | | | trans | -87.7 | 128.4 | 165.6 | -158.8 | -65.7 | 0 | 0 | 0 | 107.5 | R404 | R404-H406 PolarHBondContact O-N 3.48Š|
| 407 | S | 39.8 | Very low | 42.2 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | S | Bend | trans | 71.8 | 132.7 | 179.8 | -44.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 408 | P | 48.2 | Very low | 41.3 | Very low | 116 Ų | 116 | 143.7 Ų | 143.7 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | | | trans | -80.7 | 150.1 | 173.7 | 33.1 | -34.3 | 0 | 0 | 0 | 112.3 | Y410 | P408-Y410 PolarHBondContact O-N 2.88Š|
| 409 | P | 42 | Very low | 40.3 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -95.8 | 49.7 | -165.8 | 39.5 | -39.1 | 0 | 0 | 0 | 115 | | |
| 410 | Y | 33.1 | Very low | 39.2 | Very low | 219 Ų | 219 | 144.9 Ų | 144.9 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | trans | -142.8 | 85.4 | 175.2 | -74.8 | -70 | 0 | 0 | 0 | 113.1 | P408 | P408-Y410 PolarHBondContact O-N 2.88Š|
| 411 | V | 31.7 | Very low | 38.1 | Very low | 119 Ų | 119 | 145 Ų | 145 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | trans | -148.6 | 144.8 | 161.7 | -157.7 | 0 | 0 | 0 | 0 | 109 | | |
| 412 | H | 34.2 | Very low | 37.1 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | | | trans | 87 | 82 | 172.8 | -50.8 | 102.4 | 0 | 0 | 0 | 119.1 | | |
| 413 | S | 32.3 | Very low | 36.2 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | | | | 25.1 | 132.7 | 123.3 | 8.6 | 0 | 0 | 0 | 0 | 123.5 | | |
| 414 | H | 31.3 | Very low | 36.3 | Very low | 195 Ų | 195 | 140.8 Ų | 140.8 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | | | trans | 64.6 | 160.9 | 143.1 | -55.2 | -58.1 | 0 | 0 | 0 | 122 | | |
| 415 | S | 30.6 | Very low | 35.3 | Very low | 110 Ų | 110 | 135 Ų | 135 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -120.6 | -170.9 | -169.2 | 69.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 416 | P | 48.1 | Very low | 34.5 | Very low | 117 Ų | 117 | 132.4 Ų | 132.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | | | cis | -134.9 | 179.1 | -6.3 | 41.6 | -25.7 | 0 | 0 | 0 | 114.6 | | |
| 417 | S | 27.1 | Very low | 35 | Very low | 126 Ų | 126 | 130 Ų | 130 | 88% | 0.881 | 80% | 0.801 | S | S | * | * | | | trans | -171.3 | 161.6 | 143.5 | 45.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 418 | R | 30.2 | Very low | 34.4 | Very low | 254 Ų | 254 | 130.6 Ų | 130.6 | 96% | 0.958 | 81% | 0.812 | S | S | * | * | | | trans | -78.6 | 149.8 | 177.7 | -68.3 | 168.6 | 161.8 | -179.4 | -4.7 | 112.1 | | |
| 419 | G | 28.9 | Very low | 33.5 | Very low | 77 Ų | 77 | 132.7 Ų | 132.7 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | | | trans | -174.3 | 101 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 420 | T | 31.2 | Very low | 33 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 88% | 0.883 | 82% | 0.824 | S | S | * | * | | | trans | -43.4 | 144.5 | 172.8 | 45 | 0 | 0 | 0 | 0 | 116.7 | | |
| 421 | A | 30.2 | Very low | 33 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | | | trans | -66.1 | 145.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 422 | S | 30.7 | Very low | 34.1 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | trans | -160.8 | 157.6 | 156.3 | -82.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 423 | A | 29.4 | Very low | 34.7 | Very low | 93 Ų | 93 | 130.4 Ų | 130.4 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | | | trans | -114.7 | -153.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 424 | P | 47.4 | Very low | 34.7 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | | | | -124.3 | 158 | -98.5 | 38.1 | -23.4 | 0 | 0 | 0 | 114.9 | | |
| 425 | S | 28.4 | Very low | 35 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | -158.6 | 151.4 | 163.9 | 57.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 426 | A | 30 | Very low | 35 | Very low | 92 Ų | 92 | 128.3 Ų | 128.3 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | | | trans | -103.6 | -147 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 427 | P | 49.6 | Very low | 34.4 | Very low | 126 Ų | 126 | 131 Ų | 131 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | | -118.1 | 168.6 | -104 | 37.9 | -23.7 | 0 | 0 | 0 | 114.7 | | |
| 428 | A | 28.3 | Very low | 34.7 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | | | trans | -146.5 | 140.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 429 | N | 28.6 | Very low | 34.6 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | | | trans | -93.2 | 159.8 | -179.6 | -56.9 | -62.6 | 0 | 0 | 0 | 112.8 | | |
| 430 | K | 31.1 | Very low | 34.8 | Very low | 213 Ų | 213 | 127.4 Ų | 127.4 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | | | trans | -165.6 | 162.7 | 139 | -104.2 | 150.4 | -171.1 | 177.9 | 0 | 111.6 | | |
| 431 | S | 33.4 | Very low | 34.7 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -124.7 | 155.2 | -158.2 | 46.7 | 0 | 0 | 0 | 0 | 115.3 | | |
| 432 | P | 54.3 | Low | 35.5 | Very low | 123 Ų | 123 | 129.6 Ų | 129.6 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | trans | -106.8 | 170.8 | -179.6 | 40.5 | -35.7 | 0 | 0 | 0 | 115.8 | | |
| 433 | P | 48.6 | Very low | 35.3 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | | | trans | -124 | 176.8 | 179.8 | 43.2 | -31.1 | 0 | 0 | 0 | 116.5 | | |
| 434 | A | 31.2 | Very low | 35.8 | Very low | 86 Ų | 86 | 133.1 Ų | 133.1 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | 64.4 | 120.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 435 | Q | 38.1 | Very low | 34.9 | Very low | 168 Ų | 168 | 134.5 Ų | 134.5 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | cis | 80 | 137.1 | 45.8 | -61.3 | 177.7 | 11.1 | 0 | 0 | 113.1 | F437 | Q435-F437 HydrophobicContact CB-CE2 4.44Å; Q435-F437 HydrophobicContact CG-CE2 4.23Å |
| 436 | S | 29.5 | Very low | 34.9 | Very low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | cis | -158.4 | 143.6 | 47.3 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 437 | F | 35.9 | Very low | 34.6 | Very low | 173 Ų | 173 | 141.8 Ų | 141.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | | 63.2 | 145.7 | 90.9 | -58.5 | -61.4 | 0 | 0 | 0 | 117.6 | Q435 | Q435-F437 HydrophobicContact CB-CE2 4.44Å; Q435-F437 HydrophobicContact CG-CE2 4.23Å |
| 438 | S | 34.8 | Very low | 33.5 | Very low | 112 Ų | 112 | 143.7 Ų | 143.7 | 78% | 0.783 | 78% | 0.779 | S | S | * | * | | | cis | -177.2 | 152.4 | -8 | 48.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 439 | S | 27.5 | Very low | 33.3 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | | | trans | -172.7 | 179 | 163 | -160.3 | 0 | 0 | 0 | 0 | 112.2 | | |
| 440 | I | 33.5 | Very low | 33.4 | Very low | 151 Ų | 151 | 141.7 Ų | 141.7 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | | | | -146.7 | -146.4 | -83.3 | -153.8 | 166.8 | 0 | 0 | 0 | 112.5 | | |
| 441 | H | 27.9 | Very low | 33.2 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | | | trans | -157.9 | -179.8 | -160.8 | -100.3 | -92.9 | 0 | 0 | 0 | 111.5 | | |
| 442 | P | 47.1 | Very low | 32.9 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | cis | -136.5 | -170.8 | -9.7 | 32.6 | -8.5 | 0 | 0 | 0 | 117 | | |
| 443 | K | 26.4 | Very low | 31.7 | Very low | 189 Ų | 189 | 137.5 Ų | 137.5 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | | | trans | -76.9 | -175.4 | 171.2 | -90.6 | 179.9 | 177.2 | 176.9 | 0 | 114.2 | | |
| 444 | P | 40.1 | Very low | 30.7 | Very low | 102 Ų | 102 | 137.6 Ų | 137.6 | 66% | 0.662 | 74% | 0.741 | S | S | * | * | | | cis | -133.8 | -148.6 | 12.9 | 35.9 | -9.7 | 0 | 0 | 0 | 113.4 | | |
| 445 | E | 28.7 | Very low | 30.6 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | | | cis | -167.3 | -178.1 | 3 | -144.8 | 150.3 | -97 | 0 | 0 | 115 | | |
| 446 | F | 27.8 | Very low | 30.3 | Very low | 156 Ų | 156 | 143.7 Ų | 143.7 | 68% | 0.684 | 74% | 0.738 | S | S | * | * | | | trans | 79.5 | 162.6 | 157 | -95.1 | -87.8 | 0 | 0 | 0 | 123.8 | | |
| 447 | W | 24.9 | Very low | 30.3 | Very low | 215 Ų | 215 | 145.1 Ų | 145.1 | 81% | 0.814 | 74% | 0.738 | S | S | * | * | | | trans | -104.3 | 155.1 | -149 | -63.3 | -50.8 | 0 | 0 | 0 | 118.6 | | |
| 448 | K | 26.6 | Very low | 29.9 | Very low | 165 Ų | 165 | 141.9 Ų | 141.9 | 72% | 0.717 | 74% | 0.737 | S | S | * | * | | | | 103.5 | 149.2 | 122.7 | -107 | -176.9 | 151.1 | -116.4 | 0 | 124.4 | | |
| 449 | D | 24.6 | Very low | 29.8 | Very low | 113 Ų | 113 | 142 Ų | 142 | 60% | 0.604 | 74% | 0.738 | S | S | * | * | | | trans | 73 | 108.4 | 151.1 | -62.5 | -19.5 | 0 | 0 | 0 | 122.5 | | |
| 450 | S | 30 | Very low | 29.9 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | 87.5 | 144.9 | 130.2 | -61 | 0 | 0 | 0 | 0 | 124.4 | | |
| 451 | S | 27 | Very low | 29.8 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 73% | 0.734 | 73% | 0.727 | S | S | * | * | | | trans | 61.4 | 104.6 | 148.8 | 54 | 0 | 0 | 0 | 0 | 121.8 | | |
| 452 | S | 26 | Very low | 29.9 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | | | | 43.9 | 141.8 | 123 | 67.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 453 | L | 29.1 | Very low | 29.2 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | | | trans | 98.2 | 117.5 | 141 | -152 | 74.8 | 0 | 0 | 0 | 118.5 | | |
| 454 | E | 28.9 | Very low | 29.6 | Very low | 123 Ų | 123 | 137.5 Ų | 137.5 | 58% | 0.575 | 71% | 0.707 | S | S | * | * | | | trans | 66 | 140.8 | 149.3 | -80.9 | 176.8 | 60.7 | 0 | 0 | 124.6 | | |
| 455 | R | 29.2 | Very low | 29 | Very low | 182 Ų | 182 | 138.9 Ų | 138.9 | 69% | 0.687 | 71% | 0.709 | S | S | * | * | | | trans | 78.2 | 115.5 | 142.8 | -86.6 | -177.4 | -89.3 | 171.9 | -6.5 | 121.5 | | |
| 456 | R | 31.5 | Very low | 29.3 | Very low | 201 Ų | 201 | 138.3 Ų | 138.3 | 76% | 0.758 | 71% | 0.71 | S | S | * | * | | | trans | 95.5 | 118.1 | 132.2 | -72 | -176.6 | -66.6 | -177.1 | -0.9 | 121.3 | | |
| 457 | N | 28.4 | Very low | 29.4 | Very low | 131 Ų | 131 | 138.7 Ų | 138.7 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | | | | 84.8 | 101.9 | 124.1 | -63.9 | 23.8 | 0 | 0 | 0 | 122.1 | | |
| 458 | S | 29.1 | Very low | 29.6 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 74% | 0.741 | 71% | 0.712 | S | S | * | * | | | | 68 | 169.1 | 107.3 | -49.1 | 0 | 0 | 0 | 0 | 122.1 | | |
| 459 | S | 31.1 | Very low | 30.8 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 80% | 0.797 | 71% | 0.71 | S | S | * | * | | | trans | 74.1 | 145.3 | -174.8 | 75.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 460 | S | 31.1 | Very low | 31 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 63% | 0.629 | 71% | 0.708 | S | S | * | * | | | cis | -170 | 176 | -1.5 | -110.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 461 | E | 30.7 | Very low | 31 | Very low | 160 Ų | 160 | 130.6 Ų | 130.6 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | | | cis | -165.4 | 173.4 | 3.4 | -126.9 | 149.4 | 64.1 | 0 | 0 | 111.3 | | |
| 462 | L | 29 | Very low | 31.2 | Very low | 133 Ų | 133 | 129.4 Ų | 129.4 | 70% | 0.696 | 68% | 0.681 | S | S | * | * | | | trans | 65 | 128 | 167.7 | -83.3 | 81.2 | 0 | 0 | 0 | 118.8 | | |
| 463 | Q | 32.9 | Very low | 31.4 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 66% | 0.659 | 67% | 0.67 | S | S | * | * | | | | 87.2 | 144.3 | 51 | -73.5 | -176 | -20.1 | 0 | 0 | 113.9 | | |
| 464 | Q | 35.6 | Very low | 31.6 | Very low | 129 Ų | 129 | 124.1 Ų | 124.1 | 60% | 0.603 | 67% | 0.667 | S | S | * | * | | | cis | -161.9 | 155.3 | 8.6 | -129 | 165.8 | 2.2 | 0 | 0 | 113.1 | | |
| 465 | N | 27.9 | Very low | 31.9 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | | | trans | 44.5 | 145 | 148.5 | -66.8 | 3.8 | 0 | 0 | 0 | 123.3 | | |
| 466 | L | 34.5 | Very low | 32.2 | Very low | 142 Ų | 142 | 124.2 Ų | 124.2 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | | | cis | -142.9 | -117 | -18 | -156.9 | 62 | 0 | 0 | 0 | 111.3 | | |
| 467 | E | 28.6 | Very low | 32.2 | Very low | 164 Ų | 164 | 119.9 Ų | 119.9 | 77% | 0.766 | 69% | 0.685 | S | S | * | * | | | cis | -164.7 | 171.6 | -1.3 | -144.4 | 133.2 | 73.3 | 0 | 0 | 109.7 | | |
| 468 | E | 29.5 | Very low | 32.5 | Very low | 167 Ų | 167 | 119.5 Ų | 119.5 | 78% | 0.78 | 69% | 0.687 | S | S | * | * | | | trans | -154.2 | -178.1 | -166.3 | -110.9 | -163 | 172.5 | 0 | 0 | 115.4 | | |
| 469 | P | 53.3 | Low | 33 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | | | cis | -125 | -134.3 | -6.2 | 24.1 | 4 | 0 | 0 | 0 | 112.6 | | |
| 470 | A | 27.8 | Very low | 33.3 | Very low | 68 Ų | 68 | 130.6 Ų | 130.6 | 56% | 0.562 | 70% | 0.695 | S | S | * | * | | | cis | -168.5 | 151.3 | 5.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 471 | E | 30.6 | Very low | 33.7 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 43% | 0.43 | 70% | 0.701 | S | S | . | * | | | trans | 73.3 | 120.3 | 140.5 | -76.5 | -147.9 | -120.1 | 0 | 0 | 129.2 | F679 G680 D681 | E471-F679 VanDerWaalsContact OE2-CD1 3.26Å; E471-F679 WeakPolarHBondContact OE2-CD1 3.2Å; E471-G680 PolarHBondContact OE2-N 3.1Å; E471-D681 VanDerWaalsContact C-CB 3.46Å; E471-D681 VanDerWaalsContact C-OD2 3.27Å |
| 472 | T | 29.7 | Very low | 34.1 | Very low | 81 Ų | 81 | 135.1 Ų | 135.1 | 50% | 0.497 | 71% | 0.708 | S | S | . | * | | | trans | 115 | 68.6 | 152.4 | 68 | 0 | 0 | 0 | 0 | 126.2 | D681 | T472-D681 VanDerWaalsContact N-CG 3.26Å; T472-D681 VanDerWaalsContact N-N 3.11Å; T472-D681 PolarHBondContact N-OD2 3.46Å; T472-D681 VanDerWaalsContact N-OD2 3.13Å |
| 473 | S | 32 | Very low | 34.6 | Very low | 80 Ų | 80 | 140.4 Ų | 140.4 | 56% | 0.559 | 72% | 0.719 | S | S | * | * | | | | 84.2 | 130.3 | 121.4 | -124.9 | 0 | 0 | 0 | 0 | 126 | F679 G680 D681 | S473-F679 WeakPolarHBondContact CB-O 3.41Å; S473-F679 PolarHBondContact OG-O 3.34Å; S473-G680 WeakPolarHBondContact CA-O 3.45Å; S473-G680 WeakPolarHBondContact CB-O 3.41Å; S473-G680 PolarHBondContact N-O 3.45Å; S473-G680 PolarHBondContact OG-O 2.78Å; S473-D681 PolarHBondContact N-OD1 2.96Å |
| 474 | G | 32 | Very low | 34.9 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | | | | 110.1 | 93.1 | 115.4 | 0 | 0 | 0 | 0 | 0 | 124.8 | | |
| 475 | S | 36.4 | Very low | 34.9 | Very low | 110 Ų | 110 | 140.3 Ų | 140.3 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | 52.5 | 117.8 | 133.6 | -69.1 | 0 | 0 | 0 | 0 | 126.8 | | |
| 476 | F | 33.8 | Very low | 35.4 | Very low | 198 Ų | 198 | 139.3 Ų | 139.3 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | | | | 63.9 | 150.9 | 126 | -81.2 | -80.8 | 0 | 0 | 0 | 127.3 | | |
| 477 | S | 31.6 | Very low | 36.1 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | | | trans | 97.8 | 137.6 | 161.5 | 82.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 478 | V | 36.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 140 Ų | 140 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | | | cis | 92.8 | 96.6 | 17.6 | -176.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 479 | R | 38.3 | Very low | 36.9 | Very low | 234 Ų | 234 | 137.5 Ų | 137.5 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | 170.9 | 168.2 | 150 | -95.4 | 149.7 | -174.5 | -160.5 | 2.9 | 110.6 | | |
| 480 | R | 38.8 | Very low | 36.5 | Very low | 219 Ų | 219 | 142.7 Ų | 142.7 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | | | cis | -174.1 | 127.1 | -47.5 | -114.6 | -175.1 | 179.2 | -174.7 | 0.2 | 108.8 | | |
| 481 | S | 37.4 | Very low | 37 | Very low | 108 Ų | 108 | 148.8 Ų | 148.8 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | | | trans | 55 | 142 | 149.7 | 73 | 0 | 0 | 0 | 0 | 124 | | |
| 482 | R | 39.4 | Very low | 37.3 | Very low | 237 Ų | 237 | 148.2 Ų | 148.2 | 89% | 0.894 | 78% | 0.782 | S | S | * | * | | | trans | -172.6 | 107.4 | 136.4 | -101 | 165.9 | -170.1 | -146.8 | 2.9 | 107.5 | | |
| 483 | R | 40.6 | Very low | 37.6 | Very low | 244 Ų | 244 | 154 Ų | 154 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | | | | 98.8 | 139.3 | 74.4 | -93.1 | -166.2 | 177 | -160.3 | -0.2 | 111.8 | | |
| 484 | L | 38.7 | Very low | 37.7 | Very low | 173 Ų | 173 | 161.7 Ų | 161.7 | 91% | 0.906 | 82% | 0.817 | S | S | * | * | | | trans | -84.3 | 155.4 | -166.3 | -63.6 | 164.7 | 0 | 0 | 0 | 113.2 | | |
| 485 | A | 36.6 | Very low | 37.6 | Very low | 96 Ų | 96 | 165.4 Ų | 165.4 | 79% | 0.793 | 82% | 0.821 | S | S | * | * | | | trans | -132.8 | 116.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 486 | S | 38 | Very low | 37.4 | Very low | 110 Ų | 110 | 171.1 Ų | 171.1 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | | | trans | -123.3 | 124.5 | 175.5 | 45.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 487 | F | 49.3 | Very low | 37.4 | Very low | 196 Ų | 196 | 167.3 Ų | 167.3 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 146.8 | 178.4 | -78.8 | -90.2 | 0 | 0 | 0 | 111.4 | S489 | F487-S489 PolarHBondContact O-N 3.37Š|
| 488 | P | 39 | Very low | 37.2 | Very low | 124 Ų | 124 | 169.1 Ų | 169.1 | 81% | 0.805 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 120 | 176.3 | -15.7 | 30.2 | 0 | 0 | 0 | 111.3 | | |
| 489 | S | 35.8 | Very low | 36.8 | Very low | 115 Ų | 115 | 174.9 Ų | 174.9 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 126.6 | 168.6 | -174.4 | 0 | 0 | 0 | 0 | 110.5 | F487 | F487-S489 PolarHBondContact O-N 3.37Š|
| 490 | R | 44.6 | Very low | 36.4 | Very low | 212 Ų | 212 | 168.4 Ų | 168.4 | 80% | 0.8 | 83% | 0.832 | S | S | * | * | | | trans | -130.4 | 159.8 | 167.8 | -80.5 | -167.5 | 173.7 | -153.5 | 0.8 | 109.2 | | |
| 491 | F | 37.2 | Very low | 35.8 | Very low | 196 Ų | 196 | 164.8 Ų | 164.8 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | | | trans | 72.8 | 135.2 | -179.4 | -50.4 | -75.5 | 0 | 0 | 0 | 114.9 | | |
| 492 | A | 36.7 | Very low | 35.3 | Very low | 80 Ų | 80 | 167.6 Ų | 167.6 | 66% | 0.661 | 82% | 0.823 | S | S | * | * | | | cis | -153.4 | 139.1 | -9.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 493 | K | 36.8 | Very low | 34.8 | Very low | 203 Ų | 203 | 164 Ų | 164 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -76.2 | 127.7 | 153.9 | -77.5 | -178.6 | 176.5 | 176.3 | 0 | 108.3 | | |
| 494 | R | 33.7 | Very low | 34.1 | Very low | 241 Ų | 241 | 159.3 Ų | 159.3 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | trans | -123.1 | 133.7 | 149.1 | -87 | -170.8 | -78.5 | -146.6 | -2.4 | 108.5 | | |
| 495 | L | 30.5 | Very low | 33.6 | Very low | 146 Ų | 146 | 153.6 Ų | 153.6 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -103.8 | 176.5 | -177.3 | -73.6 | 167.4 | 0 | 0 | 0 | 110.2 | | |
| 496 | R | 32.8 | Very low | 33.3 | Very low | 229 Ų | 229 | 157 Ų | 157 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | 88.8 | 154.1 | 157.4 | -56.7 | -164.4 | -178.3 | -169.1 | 1 | 115.9 | | |
| 497 | P | 33.5 | Very low | 32.8 | Very low | 119 Ų | 119 | 160.2 Ų | 160.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | cis | -119.8 | 138.3 | 7.7 | 36.5 | -22.2 | 0 | 0 | 0 | 116.1 | | |
| 498 | T | 26.9 | Very low | 32 | Very low | 147 Ų | 147 | 158.7 Ų | 158.7 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | -76.8 | 140.7 | 146.2 | 27.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 499 | R | 28.2 | Very low | 31.6 | Very low | 244 Ų | 244 | 158.7 Ų | 158.7 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | trans | -144.5 | 131.5 | 163.3 | -168.2 | 174.9 | -171.6 | 162.9 | 3.9 | 108.3 | | |
| 500 | A | 29.5 | Very low | 31.4 | Very low | 97 Ų | 97 | 162.3 Ų | 162.3 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -95.3 | 163.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 501 | K | 26.4 | Very low | 30.6 | Very low | 144 Ų | 144 | 159.5 Ų | 159.5 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | | | trans | -154 | 118.8 | 164.6 | -162.3 | 164.2 | -171.9 | -78.2 | 0 | 105.2 | E503 | K501-E503 IonicContact NZ-OE2 2.83Å; K501-E503 PolarHBondContact NZ-OE2 3.37Å |
| 502 | E | 27.1 | Very low | 31.2 | Very low | 166 Ų | 166 | 154.9 Ų | 154.9 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | | 56.9 | 149.5 | 80 | -48.7 | 171 | 130.3 | 0 | 0 | 112.8 | | |
| 503 | E | 28.8 | Very low | 30.9 | Very low | 162 Ų | 162 | 156.4 Ų | 156.4 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | | | cis | -141.8 | 169.7 | 15.8 | -58.2 | 158 | 49.5 | 0 | 0 | 107.2 | K501 | K501-E503 IonicContact NZ-OE2 2.83Å; K501-E503 PolarHBondContact NZ-OE2 3.37Å |
| 504 | E | 26.3 | Very low | 30.6 | Very low | 145 Ų | 145 | 151.9 Ų | 151.9 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | | | cis | -159.1 | 156.5 | -0.1 | -173.4 | -96 | 128.3 | 0 | 0 | 105.3 | K506 | E504-K506 IonicContact OE1-NZ 2.74Å; E504-K506 PolarHBondContact OE1-NZ 2.92Å; E504-K506 IonicContact OE2-NZ 2.72Å; E504-K506 PolarHBondContact OE2-NZ 2.88Å |
| 505 | G | 27.9 | Very low | 30.6 | Very low | 53 Ų | 53 | 149.9 Ų | 149.9 | 55% | 0.546 | 75% | 0.749 | S | S | . | * | | | cis | 161.1 | -166.9 | -0.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 506 | K | 29.3 | Very low | 30.6 | Very low | 168 Ų | 168 | 150.2 Ų | 150.2 | 73% | 0.73 | 75% | 0.75 | S | S | * | * | | | trans | 74.3 | 143 | -176.6 | -48.6 | 169.7 | -166.4 | 65.4 | 0 | 114.1 | E504 | E504-K506 IonicContact OE1-NZ 2.74Å; E504-K506 PolarHBondContact OE1-NZ 2.92Å; E504-K506 IonicContact OE2-NZ 2.72Å; E504-K506 PolarHBondContact OE2-NZ 2.88Å |
| 507 | E | 28.6 | Very low | 30.3 | Very low | 178 Ų | 178 | 146.2 Ų | 146.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | cis | -138.6 | 163.9 | 29 | -89.6 | -162.5 | 108.7 | 0 | 0 | 116.9 | | |
| 508 | K | 33 | Very low | 30.6 | Very low | 163 Ų | 163 | 146.1 Ų | 146.1 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | | | trans | 17.1 | 124.3 | 150.7 | -87.3 | 177.1 | 147.7 | -75.3 | 0 | 124.4 | | |
| 509 | D | 30.3 | Very low | 30.6 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | | | | 83.9 | 147.9 | 122.5 | -85.5 | -40.6 | 0 | 0 | 0 | 125.1 | | |
| 510 | E | 31.1 | Very low | 30.7 | Very low | 190 Ų | 190 | 141.3 Ų | 141.3 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | | | trans | 75.5 | 146.1 | 164.8 | -48.7 | -127.8 | 129.1 | 0 | 0 | 120.1 | | |
| 511 | N | 28.4 | Very low | 30.6 | Very low | 153 Ų | 153 | 141.3 Ų | 141.3 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | | | trans | -150.6 | 162 | -167 | -166.8 | 44.3 | 0 | 0 | 0 | 104.9 | | |
| 512 | P | 49.8 | Very low | 30.6 | Very low | 100 Ų | 100 | 138.2 Ų | 138.2 | 65% | 0.649 | 74% | 0.738 | S | S | * | * | | | cis | -128.7 | -168.2 | 20.1 | 29.4 | -2.1 | 0 | 0 | 0 | 112.5 | | |
| 513 | T | 31 | Very low | 30.6 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | | | cis | -170.6 | 151.4 | 44.6 | -40.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 514 | D | 29.8 | Very low | 30.5 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 58% | 0.578 | 74% | 0.739 | S | S | * | * | | | trans | 63.7 | 109.3 | 155.4 | -90.6 | -1.9 | 0 | 0 | 0 | 122.9 | | |
| 515 | R | 34.2 | Very low | 30.6 | Very low | 199 Ų | 199 | 129.5 Ų | 129.5 | 75% | 0.751 | 75% | 0.747 | S | S | * | * | | | | 67.8 | 139.3 | 128.9 | -57.3 | 172.5 | -155.2 | -89.7 | -18.1 | 119.9 | | |
| 516 | L | 29 | Very low | 30.5 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | cis | -157.7 | 144.1 | -7.8 | -114.2 | 168.4 | 0 | 0 | 0 | 109.7 | | |
| 517 | L | 26.6 | Very low | 30.4 | Very low | 146 Ų | 146 | 130 Ų | 130 | 76% | 0.764 | 75% | 0.754 | S | S | * | * | | | trans | -93.3 | -179.2 | 168.9 | -67.9 | 172.8 | 0 | 0 | 0 | 109.7 | | |
| 518 | P | 41.1 | Very low | 30.2 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | | | cis | -122.7 | 179.6 | 0.7 | 24.1 | 1.2 | 0 | 0 | 0 | 112.7 | | |
| 519 | T | 25.9 | Very low | 30.1 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 64% | 0.638 | 76% | 0.763 | S | S | * | * | | | cis | 90.6 | 123 | 21.8 | -42.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 520 | Q | 30.7 | Very low | 30.2 | Very low | 186 Ų | 186 | 129.7 Ų | 129.7 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | | | trans | 79.3 | 156.4 | 152.8 | -93.7 | -178.8 | 11 | 0 | 0 | 124.1 | | |
| 521 | A | 27.5 | Very low | 30.6 | Very low | 96 Ų | 96 | 125.8 Ų | 125.8 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | | | trans | 63.7 | 118.3 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 522 | G | 26.7 | Very low | 30.6 | Very low | 79 Ų | 79 | 125.1 Ų | 125.1 | 81% | 0.814 | 75% | 0.751 | S | S | * | * | | | cis | 100.3 | 109.8 | -4.1 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 523 | G | 26.1 | Very low | 29.6 | Very low | 87 Ų | 87 | 127.6 Ų | 127.6 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | | | trans | 87.7 | 129.4 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 524 | G | 27.7 | Very low | 29.6 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 65% | 0.649 | 76% | 0.755 | S | S | * | * | | | cis | 134.8 | 133.7 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 525 | T | 27.2 | Very low | 29.5 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 86% | 0.859 | 76% | 0.761 | S | S | * | * | | | trans | 65.3 | 146.5 | 179.7 | 69.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 526 | T | 27.3 | Very low | 29.2 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | | | cis | -162.1 | 159.1 | -14.5 | 16.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 527 | T | 27.1 | Very low | 29.2 | Very low | 120 Ų | 120 | 124 Ų | 124 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | 58.4 | 130.8 | 150.1 | 49.5 | 0 | 0 | 0 | 0 | 122 | | |
| 528 | E | 24.5 | Very low | 29.3 | Very low | 195 Ų | 195 | 124.1 Ų | 124.1 | 91% | 0.911 | 76% | 0.757 | S | S | * | * | | | trans | 64.1 | 141.9 | 157.1 | -58.9 | -170.9 | 123.7 | 0 | 0 | 118 | | |
| 529 | A | 30.9 | Very low | 28.7 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 81% | 0.81 | 75% | 0.749 | S | S | * | * | | | cis | -138.9 | 167.6 | 19.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 530 | Q | 31.1 | Very low | 28.8 | Very low | 166 Ų | 166 | 121.7 Ų | 121.7 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | -97.2 | 154.9 | 174 | -93 | -74.8 | -22.6 | 0 | 0 | 110 | | |
| 531 | P | 39.5 | Very low | 29 | Very low | 108 Ų | 108 | 120.2 Ų | 120.2 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | | | | -154 | 170.2 | 79.5 | 43 | -24 | 0 | 0 | 0 | 118.3 | | |
| 532 | E | 28.8 | Very low | 29.5 | Very low | 140 Ų | 140 | 121.7 Ų | 121.7 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | | | trans | 71.1 | 135.8 | 162.5 | -47 | -154.5 | 143 | 0 | 0 | 117.3 | | |
| 533 | K | 29.4 | Very low | 29.6 | Very low | 152 Ų | 152 | 122.9 Ų | 122.9 | 66% | 0.661 | 75% | 0.752 | S | S | * | * | | | cis | -160.9 | 153.2 | -6.3 | -101.9 | 157.5 | -170.5 | 151.5 | 0 | 104.8 | | |
| 534 | L | 30.6 | Very low | 29.7 | Very low | 145 Ų | 145 | 126.6 Ų | 126.6 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | | | cis | -125 | 162.2 | 12.6 | -65.1 | 171.6 | 0 | 0 | 0 | 107.9 | | |
| 535 | T | 26.7 | Very low | 29.7 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 69% | 0.693 | 75% | 0.75 | S | S | * | * | | | cis | 71.3 | 126 | 34.3 | 73.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 536 | S | 29.4 | Very low | 29.8 | Very low | 102 Ų | 102 | 129 Ų | 129 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | | | cis | -177.8 | 143.7 | 1.4 | 37.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 537 | N | 28.2 | Very low | 29.8 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | | | cis | -141.1 | 169.7 | -0.5 | -103.6 | 37.1 | 0 | 0 | 0 | 107.3 | | |
| 538 | D | 28.6 | Very low | 29.7 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | | | cis | 80.6 | 144.5 | 33.6 | -175.4 | 47.1 | 0 | 0 | 0 | 115.7 | | |
| 539 | G | 28.8 | Very low | 29.7 | Very low | 57 Ų | 57 | 125.8 Ų | 125.8 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | | | trans | 98.8 | 99.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 540 | S | 28.6 | Very low | 29.6 | Very low | 112 Ų | 112 | 126 Ų | 126 | 78% | 0.783 | 72% | 0.723 | S | S | * | * | | | cis | 102.1 | 133.7 | 35.9 | 76.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 541 | N | 34.3 | Very low | 29.4 | Very low | 155 Ų | 155 | 126.3 Ų | 126.3 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | | | trans | -59.9 | 153.7 | 174.9 | -48.4 | -50.9 | 0 | 0 | 0 | 111.4 | | |
| 542 | P | 38.5 | Very low | 28.9 | Very low | 128 Ų | 128 | 127.1 Ų | 127.1 | 83% | 0.831 | 72% | 0.718 | S | S | * | * | | | | -144.1 | -155.5 | 90.2 | 41.4 | -25.3 | 0 | 0 | 0 | 114.1 | | |
| 543 | S | 29.1 | Very low | 29.2 | Very low | 104 Ų | 104 | 128.2 Ų | 128.2 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | | | trans | -81.6 | 179.3 | -165.9 | 53.7 | 0 | 0 | 0 | 0 | 117 | | |
| 544 | E | 26.3 | Very low | 29.5 | Very low | 165 Ų | 165 | 133 Ų | 133 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | | | trans | 90.6 | 115.9 | 155.5 | -90.4 | -167.1 | 122.2 | 0 | 0 | 120.9 | | |
| 545 | L | 29.1 | Very low | 29.7 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 75% | 0.749 | 73% | 0.732 | S | S | * | * | | | trans | 71 | 156.2 | 133.4 | -117.7 | 75 | 0 | 0 | 0 | 121.7 | | |
| 546 | T | 28 | Very low | 30.2 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 68% | 0.681 | 74% | 0.737 | S | S | * | * | | | trans | 77.3 | 90.9 | 161.7 | 55 | 0 | 0 | 0 | 0 | 121.5 | | |
| 547 | K | 28.6 | Very low | 30.4 | Very low | 166 Ų | 166 | 133.2 Ų | 133.2 | 72% | 0.722 | 74% | 0.743 | S | S | * | * | | | | 51.7 | 127.8 | 116.1 | -64.3 | 173.6 | 178.6 | 176.1 | 0 | 120.4 | | |
| 548 | S | 24.7 | Very low | 30.6 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | trans | 68.8 | 155.2 | 139.9 | 74.1 | 0 | 0 | 0 | 0 | 119.1 | Y28 | Y28-S548 PolarHBondContact OH-N 3.5Š|
| 549 | C | 24.4 | Very low | 31.3 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | | | cis | -167.3 | 134.9 | -23.8 | 159.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 550 | C | 28.7 | Very low | 31.7 | Very low | 104 Ų | 104 | 135.5 Ų | 135.5 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | | | trans | 49.6 | 115.7 | 137.7 | -19.2 | 0 | 0 | 0 | 0 | 121.8 | | |
| 551 | H | 27.1 | Very low | 31.9 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | | | trans | -163.8 | 144.4 | 148.6 | -102.5 | -93.4 | 0 | 0 | 0 | 107.5 | | |
| 552 | E | 29 | Very low | 32 | Very low | 124 Ų | 124 | 137.2 Ų | 137.2 | 58% | 0.579 | 76% | 0.755 | S | S | * | * | | | cis | -162 | 150.4 | -12.8 | -142.7 | -175.1 | 159.4 | 0 | 0 | 112.6 | | |
| 553 | K | 35.8 | Very low | 32.4 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | | | trans | 12 | 125.6 | 154.8 | -59.5 | 158.7 | -167.2 | 159.8 | 0 | 120.7 | | |
| 554 | R | 35.9 | Very low | 32.4 | Very low | 252 Ų | 252 | 140.3 Ų | 140.3 | 95% | 0.951 | 75% | 0.753 | S | S | * | * | | | | -178.3 | 175.6 | 99.6 | -104.9 | 176.1 | 179.4 | 132.2 | 0.2 | 113.1 | | |
| 555 | A | 33 | Very low | 32.8 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | | | trans | -146.8 | 161 | -167.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 556 | C | 38.4 | Very low | 32.9 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 79% | 0.791 | 76% | 0.758 | S | S | * | * | | | trans | 73.6 | 164.8 | 156.6 | -60.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 557 | L | 32.3 | Very low | 32.9 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | | | trans | 79 | 142.7 | 169.8 | -46 | -178.2 | 0 | 0 | 0 | 116.5 | | |
| 558 | C | 32.3 | Very low | 33.1 | Very low | 116 Ų | 116 | 136.1 Ų | 136.1 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | | | cis | -164.7 | 168.8 | -25.7 | -115.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 559 | L | 44.9 | Very low | 34.5 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | -74.9 | 160 | 175.4 | -60.5 | 172.8 | 0 | 0 | 0 | 113.6 | | |
| 560 | P | 36.4 | Very low | 35.1 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | | | trans | -121.6 | 162.3 | 141 | 36.4 | -27.6 | 0 | 0 | 0 | 112.8 | | |
| 561 | L | 33.3 | Very low | 35.3 | Very low | 148 Ų | 148 | 143.6 Ų | 143.6 | 78% | 0.775 | 77% | 0.773 | S | S | * | * | | | trans | -129.1 | 136 | -172 | -68.8 | 170.4 | 0 | 0 | 0 | 113.4 | | |
| 562 | N | 35.6 | Very low | 35.6 | Very low | 154 Ų | 154 | 138.5 Ų | 138.5 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | 60 | -176.1 | 150.6 | -99.4 | -33.5 | 0 | 0 | 0 | 117.1 | | |
| 563 | P | 46.6 | Very low | 35.7 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 64% | 0.643 | 78% | 0.776 | S | S | * | * | | | cis | -128.2 | 167.6 | -10.3 | 32.8 | -14.6 | 0 | 0 | 0 | 115.4 | | |
| 564 | K | 29.6 | Very low | 36 | Very low | 198 Ų | 198 | 142 Ų | 142 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | | 167.7 | 148.4 | 116.2 | -94.2 | 169.9 | -179.7 | 178.3 | 0 | 115.8 | | |
| 565 | S | 35.9 | Very low | 36.8 | Very low | 109 Ų | 109 | 135.1 Ų | 135.1 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | | | trans | -114.4 | 161.9 | 159.6 | 56 | 0 | 0 | 0 | 0 | 110.2 | | |
| 566 | T | 30.7 | Very low | 36.8 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | | | trans | -179.1 | 139.9 | 160.2 | -69.9 | 0 | 0 | 0 | 0 | 106.1 | | |
| 567 | G | 28.7 | Very low | 37 | Very low | 63 Ų | 63 | 141 Ų | 141 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | cis | -162.8 | 155.5 | 0.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 568 | E | 32.2 | Very low | 37.2 | Very low | 182 Ų | 182 | 140.6 Ų | 140.6 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | | 106.9 | 165.4 | 77.5 | -126.3 | -155.4 | 131.8 | 0 | 0 | 110.7 | | |
| 569 | P | 54.8 | Low | 37.4 | Very low | 92 Ų | 92 | 140 Ų | 140 | 60% | 0.597 | 75% | 0.753 | S | S | * | * | | | | -128.7 | -179 | -96.2 | 43.2 | -30 | 0 | 0 | 0 | 115.3 | | |
| 570 | Q | 35.1 | Very low | 37 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | | | | -176.2 | 136.7 | 126.7 | -100.3 | 173.1 | 65.8 | 0 | 0 | 113.9 | | |
| 571 | F | 33.5 | Very low | 36.7 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | | | trans | 29.7 | 145.8 | 160.3 | -52.3 | -70.9 | 0 | 0 | 0 | 121.9 | | |
| 572 | G | 34.3 | Very low | 36.6 | Very low | 65 Ų | 65 | 137.9 Ų | 137.9 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | | | cis | 150.9 | 142.8 | 4.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 573 | T | 30 | Very low | 36.6 | Very low | 126 Ų | 126 | 135.3 Ų | 135.3 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | cis | -166.9 | 139.2 | 42.1 | 47.7 | 0 | 0 | 0 | 0 | 115.2 | | |
| 574 | R | 43.4 | Very low | 36.1 | Very low | 235 Ų | 235 | 133.3 Ų | 133.3 | 89% | 0.887 | 72% | 0.717 | S | S | * | * | | | trans | 57.1 | 163.4 | 135.5 | -63.9 | -173.6 | -179.8 | -119.1 | -0.2 | 122.5 | | |
| 575 | P | 52.3 | Low | 36.4 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 70% | 0.701 | 71% | 0.709 | S | S | * | * | | | cis | -125.1 | 151.6 | -36.7 | 34.5 | -17.9 | 0 | 0 | 0 | 112.8 | | |
| 576 | Y | 33.5 | Very low | 36.4 | Very low | 200 Ų | 200 | 126.5 Ų | 126.5 | 78% | 0.784 | 70% | 0.704 | S | S | * | * | | | | 58.9 | 130.9 | 87.4 | -130.5 | -130.5 | 0 | 0 | 0 | 114.3 | | |
| 577 | E | 41.4 | Very low | 36.7 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 59% | 0.589 | 70% | 0.702 | S | S | * | * | | | cis | -158.3 | 157.1 | 24 | -160.6 | 175.8 | 173.8 | 0 | 0 | 115.1 | | |
| 578 | Q | 36.6 | Very low | 37.1 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 72% | 0.72 | 72% | 0.716 | S | S | * | * | | | trans | 66.2 | 145.7 | 149.7 | -100 | -174.5 | -2.4 | 0 | 0 | 126.9 | | |
| 579 | T | 36.3 | Very low | 37.1 | Very low | 104 Ų | 104 | 123.5 Ų | 123.5 | 64% | 0.638 | 71% | 0.711 | S | S | * | * | | | trans | 70.6 | 119.4 | 150.9 | 44.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 580 | L | 35.9 | Very low | 36.3 | Very low | 162 Ų | 162 | 126.5 Ų | 126.5 | 85% | 0.848 | 72% | 0.721 | S | S | * | * | | | | 62 | 133.6 | 92.7 | -60.1 | -179.5 | 0 | 0 | 0 | 112.2 | | |
| 581 | S | 30.6 | Very low | 36.9 | Very low | 96 Ų | 96 | 124.4 Ų | 124.4 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | | | cis | -167.3 | 151.8 | 25.6 | 64.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 582 | V | 32.5 | Very low | 37.7 | Very low | 119 Ų | 119 | 120.7 Ų | 120.7 | 72% | 0.721 | 72% | 0.715 | S | S | * | * | | | | 69.9 | 132.6 | 109.9 | 175.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 583 | D | 34 | Very low | 38 | Very low | 99 Ų | 99 | 123.5 Ų | 123.5 | 53% | 0.529 | 72% | 0.722 | S | S | . | * | | | trans | 93.8 | 139.4 | 147.8 | -88.6 | -21.1 | 0 | 0 | 0 | 125.9 | Y183 | Y183-D583 WeakPolarHBondContact CE1-OD2 3.36Å; Y183-D583 VanDerWaalsContact CZ-OD2 3.27Å; Y183-D583 WeakPolarHBondContact OH-CB 3.3Å; Y183-D583 PolarHBondContact OH-OD2 3.34Å |
| 584 | L | 37.6 | Very low | 38.3 | Very low | 57 Ų | 57 | 123.5 Ų | 123.5 | 30% | 0.298 | 72% | 0.722 | S | S | . | * | | | trans | 67.1 | 115.3 | 150 | -68.8 | -174.3 | 0 | 0 | 0 | 123.4 | R182 Y183 | R182-L584 HydrophobicContact CB-CD1 3.62Å; R182-L584 HydrophobicContact CG-CD1 3.82Å; Y183-L584 HydrophobicContact CD1-CD1 3.71Å; Y183-L584 HydrophobicContact CD1-CD2 4.06Å; Y183-L584 HydrophobicContact CD1-CG 4.14Å; Y183-L584 HydrophobicContact CD2-CD1 4.11Å; Y183-L584 HydrophobicContact CE1-CD1 3.51Å; Y183-L584 HydrophobicContact CE1-CD2 4.03Å; Y183-L584 HydrophobicContact CE1-CG 3.71Å; Y183-L584 HydrophobicContact CE2-CD1 3.91Å; Y183-L584 HydrophobicContact CG-CD1 3.97Å |
| 585 | C | 35.6 | Very low | 38.2 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 69% | 0.689 | 72% | 0.715 | S | S | * | * | | | | 32.1 | 114.5 | 110.6 | -55.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 586 | G | 36.4 | Very low | 37.6 | Very low | 63 Ų | 63 | 119 Ų | 119 | 65% | 0.649 | 72% | 0.721 | S | S | * | * | | | trans | -163.9 | 106.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 587 | T | 36 | Very low | 37.9 | Very low | 138 Ų | 138 | 115.3 Ų | 115.3 | 85% | 0.847 | 72% | 0.722 | S | S | * | * | | | | 60.2 | 110.2 | 77.3 | 64.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 588 | A | 36.5 | Very low | 37.7 | Very low | 114 Ų | 114 | 117.9 Ų | 117.9 | 94% | 0.942 | 73% | 0.733 | S | S | * | * | | | trans | 41.8 | 114.1 | 155 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 589 | G | 33.4 | Very low | 37.8 | Very low | 72 Ų | 72 | 119.4 Ų | 119.4 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | | | trans | -165.5 | 82.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 590 | L | 37.6 | Very low | 37.9 | Very low | 156 Ų | 156 | 118.4 Ų | 118.4 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | | | trans | 34 | 112.6 | 137.4 | -58.4 | 174 | 0 | 0 | 0 | 120.5 | | |
| 591 | T | 46.4 | Very low | 38 | Very low | 123 Ų | 123 | 117.2 Ų | 117.2 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | 64.9 | 144.3 | 137.2 | 53 | 0 | 0 | 0 | 0 | 121.2 | | |
| 592 | P | 50.8 | Low | 38.2 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | | | trans | -93.2 | 161.1 | -174.4 | 38.1 | -36.3 | 0 | 0 | 0 | 113.8 | | |
| 593 | P | 40.2 | Very low | 38.5 | Very low | 124 Ų | 124 | 121 Ų | 121 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | | | trans | -104.9 | 127.8 | 150.5 | 33.6 | -26.2 | 0 | 0 | 0 | 111.3 | T595 | P593-T595 PolarHBondContact O-N 3Š|
| 594 | T | 37.7 | Very low | 39 | Very low | 126 Ų | 126 | 124 Ų | 124 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | | | trans | -67.1 | 123 | 165.3 | 46.4 | 0 | 0 | 0 | 0 | 111 | | |
| 595 | T | 40.8 | Very low | 39.5 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | trans | 163.3 | 133.9 | 133.9 | 33.8 | 0 | 0 | 0 | 0 | 111.3 | P593 P597 | P593-T595 PolarHBondContact O-N 3Å; T595-P597 WeakPolarHBondContact O-CD 3.41Å |
| 596 | P | 39.6 | Very low | 39.2 | Very low | 126 Ų | 126 | 130.5 Ų | 130.5 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -74 | 120.5 | 155.7 | -9.8 | 27 | 0 | 0 | 0 | 108.8 | | |
| 597 | P | 41 | Very low | 39.3 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 140.3 | 174.3 | 29.8 | -33.7 | 0 | 0 | 0 | 111 | T595 | T595-P597 WeakPolarHBondContact O-CD 3.41Š|
| 598 | H | 37.1 | Very low | 39.6 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 168.4 | 173.4 | -159.2 | -79.6 | 0 | 0 | 0 | 111.2 | | |
| 599 | K | 38.4 | Very low | 39.3 | Very low | 186 Ų | 186 | 135.6 Ų | 135.6 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | | | trans | 87.5 | 149.5 | 171.3 | -55.9 | -178.4 | -179 | -174.7 | 0 | 115.8 | | |
| 600 | S | 37.8 | Very low | 39.2 | Very low | 84 Ų | 84 | 141.4 Ų | 141.4 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | | | cis | -169 | 150.4 | -15.4 | 43.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 601 | V | 37.8 | Very low | 39 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | | | trans | -146.5 | 101.5 | 147.5 | -162.8 | 0 | 0 | 0 | 0 | 104.1 | | |
| 602 | E | 34.3 | Very low | 38.4 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | | 65.7 | 103 | 76.8 | -63 | -172.9 | -171.3 | 0 | 0 | 112.2 | | |
| 603 | D | 40.4 | Very low | 37.6 | Very low | 134 Ų | 134 | 140.6 Ų | 140.6 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | | | cis | -133.8 | -97.7 | -8.8 | -169.2 | 54.2 | 0 | 0 | 0 | 113.8 | | |
| 604 | E | 44 | Very low | 37.1 | Very low | 162 Ų | 162 | 138.4 Ų | 138.4 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | | | cis | -151.1 | -169.7 | -2.7 | -142.5 | -118.5 | 80.6 | 0 | 0 | 110.8 | | |
| 605 | L | 47.1 | Very low | 36.8 | Very low | 107 Ų | 107 | 136.6 Ų | 136.6 | 56% | 0.56 | 79% | 0.786 | S | S | * | * | | | trans | -109.8 | 158.4 | -139.7 | -68.2 | 153.9 | 0 | 0 | 0 | 117.9 | | |
| 606 | F | 30.4 | Very low | 36.2 | Very low | 188 Ų | 188 | 134.3 Ų | 134.3 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | | | trans | 71.5 | 100.6 | 157.9 | -63.7 | -59.8 | 0 | 0 | 0 | 122.4 | | |
| 607 | K | 37.3 | Very low | 35.9 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | | | trans | -45.6 | 159.5 | 130.6 | -75.3 | 179 | 178.1 | 177 | 0 | 111.4 | | |
| 608 | P | 42.5 | Very low | 35.6 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 70% | 0.695 | 78% | 0.775 | S | S | * | * | | | cis | -160.6 | 169.2 | 48.1 | 43.6 | -21.1 | 0 | 0 | 0 | 122 | | |
| 609 | T | 30.9 | Very low | 35.4 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | | | trans | 68.5 | 160.2 | 142.4 | 45.8 | 0 | 0 | 0 | 0 | 123.6 | | |
| 610 | E | 32 | Very low | 35.2 | Very low | 194 Ų | 194 | 125.3 Ų | 125.3 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | | | trans | 73.6 | 145.1 | 168.2 | -46 | -163.8 | 156.1 | 0 | 0 | 117.7 | | |
| 611 | G | 33 | Very low | 34.8 | Very low | 79 Ų | 79 | 125.4 Ų | 125.4 | 81% | 0.814 | 79% | 0.787 | S | S | * | * | | | cis | 171.2 | 86.1 | -9.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 612 | G | 32.7 | Very low | 34.5 | Very low | 76 Ų | 76 | 122.7 Ų | 122.7 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | | | trans | 79.2 | 156 | 149.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 613 | K | 34.8 | Very low | 34.3 | Very low | 223 Ų | 223 | 118.4 Ų | 118.4 | 97% | 0.97 | 79% | 0.785 | S | S | * | * | | | trans | 55.1 | 134.5 | 165.7 | -67.3 | 176.4 | 173.5 | 175.9 | 0 | 118 | | |
| 614 | G | 30.3 | Very low | 34 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | | | cis | 148.7 | 152.6 | 15.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 615 | G | 29.7 | Very low | 33.3 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 92% | 0.918 | 79% | 0.786 | S | S | * | * | | | trans | 82.2 | 150.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 616 | G | 29.9 | Very low | 32.6 | Very low | 72 Ų | 72 | 116.8 Ų | 116.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | | | cis | 141.4 | 134.7 | -9 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 617 | S | 31.8 | Very low | 32.5 | Very low | 122 Ų | 122 | 114.1 Ų | 114.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | 66 | 160.1 | -178.6 | -121.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 618 | S | 34.5 | Very low | 32.4 | Very low | 78 Ų | 78 | 113.3 Ų | 113.3 | 55% | 0.545 | 79% | 0.789 | S | S | . | * | | | cis | -166.5 | 169.5 | -38 | 49.8 | 0 | 0 | 0 | 0 | 108.1 | | |
| 619 | D | 34.2 | Very low | 32.2 | Very low | 155 Ų | 155 | 114.2 Ų | 114.2 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | | | trans | 65.7 | 152.4 | 165.7 | -48.8 | -58.7 | 0 | 0 | 0 | 116.6 | | |
| 620 | G | 32.8 | Very low | 32.2 | Very low | 72 Ų | 72 | 112.5 Ų | 112.5 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | | | cis | 163.5 | 146.8 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 621 | G | 31.2 | Very low | 32.1 | Very low | 86 Ų | 86 | 108.9 Ų | 108.9 | 89% | 0.887 | 79% | 0.79 | S | S | * | * | | | trans | 80.3 | 151.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 622 | G | 30.2 | Very low | 32.1 | Very low | 80 Ų | 80 | 112.9 Ų | 112.9 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | cis | 130.4 | 138.9 | -2.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 623 | G | 31.3 | Very low | 32 | Very low | 70 Ų | 70 | 114 Ų | 114 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | trans | 81 | 112.5 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 624 | S | 32.8 | Very low | 31.8 | Very low | 95 Ų | 95 | 110.5 Ų | 110.5 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | | | cis | 73.1 | 130.5 | 33.5 | 96.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 625 | E | 30.9 | Very low | 31.8 | Very low | 178 Ų | 178 | 112.1 Ų | 112.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | 68.4 | 152.9 | 152.8 | -71.3 | 155.8 | 121.1 | 0 | 0 | 118.2 | | |
| 626 | S | 31.9 | Very low | 31.9 | Very low | 96 Ų | 96 | 114.9 Ų | 114.9 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | | | cis | -166.2 | 158.5 | -16 | 178 | 0 | 0 | 0 | 0 | 110 | | |
| 627 | V | 28.9 | Very low | 32 | Very low | 131 Ų | 131 | 116.7 Ų | 116.7 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | | | trans | 67.6 | 143.4 | 154.9 | 153.9 | 0 | 0 | 0 | 0 | 119.5 | | |
| 628 | H | 34.1 | Very low | 32 | Very low | 174 Ų | 174 | 117 Ų | 117 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | | | trans | -75 | 172.4 | 174.7 | -53.2 | -93 | 0 | 0 | 0 | 112.2 | | |
| 629 | P | 38.4 | Very low | 31.9 | Very low | 126 Ų | 126 | 117.3 Ų | 117.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | | -138.7 | 158 | 96.1 | 37.7 | -26.9 | 0 | 0 | 0 | 114.3 | | |
| 630 | A | 30.1 | Very low | 31.8 | Very low | 89 Ų | 89 | 120.2 Ų | 120.2 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | | | trans | -85.7 | 157.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 631 | S | 31.5 | Very low | 31.8 | Very low | 118 Ų | 118 | 120 Ų | 120 | 83% | 0.825 | 78% | 0.778 | S | S | * | * | | | trans | -156.2 | 137.2 | 151.8 | -12.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 632 | N | 31.2 | Very low | 31.9 | Very low | 162 Ų | 162 | 121 Ų | 121 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | trans | -66.6 | 152.9 | 178.7 | -52.8 | -34.6 | 0 | 0 | 0 | 112.2 | | |
| 633 | A | 31.4 | Very low | 31.8 | Very low | 100 Ų | 100 | 123 Ų | 123 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | | | | 177.9 | 104.9 | 112.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 634 | N | 30.1 | Very low | 31.6 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | -20.3 | 158.1 | 152.1 | -85.1 | -7.9 | 0 | 0 | 0 | 121.3 | | |
| 635 | T | 31.5 | Very low | 31.6 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | trans | 87.4 | 128.2 | 142.9 | 51.4 | 0 | 0 | 0 | 0 | 122.9 | | |
| 636 | N | 31.6 | Very low | 31.6 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | | | trans | 77.7 | 142.9 | 133.3 | -72 | -8.4 | 0 | 0 | 0 | 119.2 | | |
| 637 | V | 32.6 | Very low | 31.4 | Very low | 111 Ų | 111 | 133.4 Ų | 133.4 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | | | cis | -163.8 | 164 | -4.3 | 85.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 638 | T | 31.7 | Very low | 31.3 | Very low | 129 Ų | 129 | 132 Ų | 132 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | | | trans | 65.6 | 155.2 | 163.3 | 55.1 | 0 | 0 | 0 | 0 | 121 | | |
| 639 | A | 31.4 | Very low | 31.1 | Very low | 83 Ų | 83 | 131.2 Ų | 131.2 | 69% | 0.686 | 77% | 0.766 | S | S | * | * | | | cis | -176.6 | 164.7 | -28 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 640 | K | 33 | Very low | 30.8 | Very low | 216 Ų | 216 | 133.1 Ų | 133.1 | 94% | 0.939 | 76% | 0.763 | S | S | * | * | | | trans | 113 | 135.7 | 150.9 | -66.4 | -179.5 | 174.1 | 175.3 | 0 | 118.1 | | |
| 641 | G | 31.7 | Very low | 30.8 | Very low | 68 Ų | 68 | 135.5 Ų | 135.5 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | | | trans | 124.2 | 62.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 642 | S | 33.7 | Very low | 30.9 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 76% | 0.758 | S | S | * | * | | | | 45.8 | 130.7 | 86.9 | 70.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 643 | T | 27.7 | Very low | 31.2 | Very low | 121 Ų | 121 | 141.2 Ų | 141.2 | 74% | 0.742 | 76% | 0.756 | S | S | * | * | | | cis | -169.4 | 140.2 | -2.9 | 17.1 | 0 | 0 | 0 | 0 | 106.4 | | |
| 644 | W | 26.8 | Very low | 31.3 | Very low | 222 Ų | 222 | 143.7 Ų | 143.7 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | | | | 45.5 | 130 | 84.8 | -73.4 | 67.2 | 0 | 0 | 0 | 114 | | |
| 645 | L | 32.8 | Very low | 32.2 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 61% | 0.613 | 76% | 0.755 | S | S | * | * | | | cis | -141.4 | -179.3 | 11.7 | -73.2 | 107.4 | 0 | 0 | 0 | 110.1 | | |
| 646 | S | 31.4 | Very low | 32.9 | Very low | 111 Ų | 111 | 144.8 Ų | 144.8 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | | | cis | -162.8 | 136.4 | 38.5 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 647 | R | 27.8 | Very low | 33.8 | Very low | 207 Ų | 207 | 146 Ų | 146 | 78% | 0.781 | 76% | 0.759 | S | S | * | * | | | | 68.9 | 105.9 | 70.2 | -168.6 | -159 | -75 | -95.3 | 0.4 | 115.9 | | |
| 648 | S | 26.5 | Very low | 35.1 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | | | | 163.8 | 118.3 | 120.9 | -71.4 | 0 | 0 | 0 | 0 | 116 | | |
| 649 | H | 30.1 | Very low | 36.5 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | | | trans | 61.2 | 159.8 | 149.4 | -107.9 | -97.6 | 0 | 0 | 0 | 119.6 | | |
| 650 | H | 33 | Very low | 37.4 | Very low | 165 Ų | 165 | 150.6 Ų | 150.6 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | cis | -146.8 | 142 | 9.8 | -36.2 | -120.4 | 0 | 0 | 0 | 113.8 | | |
| 651 | Q | 29.8 | Very low | 38.2 | Very low | 140 Ų | 140 | 148.8 Ų | 148.8 | 65% | 0.654 | 75% | 0.749 | S | S | * | * | | | trans | 45.1 | 126 | 133.8 | -67.2 | -92.3 | -48.5 | 0 | 0 | 124.8 | | |
| 652 | R | 33.3 | Very low | 39.5 | Very low | 211 Ų | 211 | 148.1 Ų | 148.1 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | | | trans | 96.1 | 122.6 | 135.9 | -73 | 174.6 | -159.1 | -173.9 | 4.7 | 124.9 | | |
| 653 | K | 37.3 | Very low | 40.7 | Very low | 188 Ų | 188 | 148.9 Ų | 148.9 | 82% | 0.817 | 73% | 0.729 | S | S | * | * | | | trans | 84.6 | 123.2 | 136.8 | -75.2 | -165.8 | 174.5 | -166.2 | 0 | 123.4 | | |
| 654 | L | 33.3 | Very low | 42 | Very low | 152 Ų | 152 | 150.4 Ų | 150.4 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | | | trans | 31.5 | 134.1 | 142.4 | -96.7 | 71.6 | 0 | 0 | 0 | 122.9 | | |
| 655 | P | 49.2 | Very low | 43.4 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | trans | -102.6 | 150.2 | 140.2 | -3 | 24 | 0 | 0 | 0 | 113.1 | | |
| 656 | E | 45.2 | Very low | 44.2 | Very low | 159 Ų | 159 | 153 Ų | 153 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | trans | -90.9 | 143.2 | 174.7 | -68.4 | 164.3 | 130.8 | 0 | 0 | 110.5 | | |
| 657 | Q | 52 | Low | 44.9 | Very low | 173 Ų | 173 | 156.1 Ų | 156.1 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | | | | 66.5 | 32.5 | 59.5 | -72.9 | -74.7 | -9.9 | 0 | 0 | 115.5 | | |
| 658 | T | 58.3 | Low | 45.9 | Very low | 105 Ų | 105 | 149.3 Ų | 149.3 | 64% | 0.644 | 73% | 0.732 | S | S | * | * | | | trans | -121.2 | -28.3 | 177 | 51.3 | 0 | 0 | 0 | 0 | 116.2 | | |
| 659 | E | 61.8 | Low | 46.4 | Very low | 169 Ų | 169 | 154.1 Ų | 154.1 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -74.7 | -44.4 | -172 | -169.1 | 169.3 | -152.4 | 0 | 0 | 114.1 | Y661 A662 Q663 | E659-Y661 PolarHBondContact O-N 3.11Å; E659-A662 PolarHBondContact O-N 3.21Å; E659-A662 VanDerWaalsContact O-N 3.11Å; E659-Q663 PolarHBondContact O-N 3.4Å |
| 660 | L | 50.8 | Low | 46.7 | Very low | 144 Ų | 144 | 151.3 Ų | 151.3 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -62.3 | -27.9 | -179.7 | -75.2 | 169.7 | 0 | 0 | 0 | 113.5 | | |
| 661 | Y | 49.4 | Very low | 46.8 | Very low | 178 Ų | 178 | 146.7 Ų | 146.7 | 70% | 0.698 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -73.5 | -31.3 | 177.6 | -169.6 | -103 | 0 | 0 | 0 | 112.3 | E659 | E659-Y661 PolarHBondContact O-N 3.11Å |
| 662 | A | 59.8 | Low | 47 | Very low | 54 Ų | 54 | 149.7 Ų | 149.7 | 45% | 0.446 | 76% | 0.758 | S | S | . | * | H | α-helix | trans | -70.9 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E659 R665 | E659-A662 PolarHBondContact O-N 3.21Å; E659-A662 VanDerWaalsContact O-N 3.11Å; A662-R665 PolarHBondContact O-N 2.83Å |
| 663 | Q | 57.7 | Low | 47 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 58% | 0.584 | 76% | 0.758 | S | S | * | * | H | α-helix | trans | -66.8 | -39 | -179.2 | -166.7 | 71.6 | -24.3 | 0 | 0 | 112.4 | E659 R665 | E659-Q663 PolarHBondContact O-N 3.4Å; Q663-R665 VanDerWaalsContact C-N 3.27Å; Q663-R665 PolarHBondContact O-N 2.68Å |
| 664 | L | 56 | Low | 47 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | H | α-helix | trans | -73.6 | -17.2 | -176.7 | -144.9 | 73 | 0 | 0 | 0 | 113.6 | R666 | L664-R666 VanDerWaalsContact C-N 3.3Å; L664-R666 PolarHBondContact O-N 2.66Å |
| 665 | R | 56.3 | Low | 47.1 | Very low | 210 Ų | 210 | 139.2 Ų | 139.2 | 79% | 0.792 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | 7.9 | -176.6 | -144.7 | -176.1 | -168.5 | -152.8 | 2.8 | 114.5 | A662 Q663 | A662-R665 PolarHBondContact O-N 2.83Å; Q663-R665 VanDerWaalsContact C-N 3.27Å; Q663-R665 PolarHBondContact O-N 2.68Å |
| 666 | R | 48.3 | Very low | 46.5 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.5 | 8.8 | -176.8 | -71.3 | -169.2 | -74.7 | -132.9 | 0 | 115.1 | L664 | L664-R666 VanDerWaalsContact C-N 3.3Å; L664-R666 PolarHBondContact O-N 2.66Å |
| 667 | M | 47.8 | Very low | 46.1 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -132.2 | 40.5 | -169.5 | -156.6 | 72.9 | 73.9 | 0 | 0 | 113.1 | | |
| 668 | G | 47.5 | Very low | 45.4 | Very low | 63 Ų | 63 | 138.2 Ų | 138.2 | 65% | 0.649 | 73% | 0.732 | S | S | * | * | | | trans | -165 | 136.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 669 | Q | 37.7 | Very low | 44.2 | Very low | 204 Ų | 204 | 140 Ų | 140 | 95% | 0.953 | 73% | 0.731 | S | S | * | * | | | trans | 68.2 | 128.8 | -168.7 | -53 | -176 | -54.9 | 0 | 0 | 113.6 | | |
| 670 | A | 35.2 | Very low | 43 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 81% | 0.81 | 71% | 0.71 | S | S | * | * | | | cis | -137.3 | 176.8 | -11 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 671 | G | 35.4 | Very low | 42.5 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 71% | 0.711 | 70% | 0.695 | S | S | * | * | | | | 72.5 | 131.8 | 61 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 672 | E | 33.7 | Very low | 42.5 | Very low | 202 Ų | 202 | 127.2 Ų | 127.2 | 94% | 0.944 | 69% | 0.685 | S | S | * | * | | | cis | -170.8 | 148.2 | 10.7 | -171.9 | 165.9 | 170.4 | 0 | 0 | 110.6 | | |
| 673 | G | 34.8 | Very low | 41.6 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | | | trans | 69.6 | 163.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 674 | D | 35.9 | Very low | 40.7 | Very low | 145 Ų | 145 | 135.4 Ų | 135.4 | 78% | 0.775 | 71% | 0.711 | S | S | * | * | | | cis | -164 | 163.1 | -23.9 | -164.7 | 14.6 | 0 | 0 | 0 | 111.9 | | |
| 675 | T | 37.1 | Very low | 39.8 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | | | trans | 68 | 154.1 | 169.6 | 73.9 | 0 | 0 | 0 | 0 | 118 | | |
| 676 | Q | 36.6 | Very low | 38.8 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 69% | 0.687 | 71% | 0.712 | S | S | * | * | | | cis | -159.9 | 151.1 | 0.4 | -132.7 | -176.6 | 46.8 | 0 | 0 | 112.2 | | |
| 677 | R | 36 | Very low | 38.4 | Very low | 205 Ų | 205 | 127.7 Ų | 127.7 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | | | trans | 63 | 150.5 | 159.2 | -59.4 | 179.8 | -179.4 | -91.1 | -0.8 | 120.2 | | |
| 678 | T | 38.2 | Very low | 38.4 | Very low | 85 Ų | 85 | 125.2 Ų | 125.2 | 52% | 0.521 | 72% | 0.72 | S | S | . | * | | | cis | -160 | 154 | -22.3 | 27.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 679 | F | 32.5 | Very low | 38.3 | Very low | 142 Ų | 142 | 131 Ų | 131 | 62% | 0.623 | 74% | 0.735 | S | S | * | * | | | | 168.9 | 158.3 | 90.8 | -98.3 | -71.4 | 0 | 0 | 0 | 114.2 | E471 S473 | E471-F679 VanDerWaalsContact OE2-CD1 3.26Å; E471-F679 WeakPolarHBondContact OE2-CD1 3.2Å; S473-F679 WeakPolarHBondContact CB-O 3.41Å; S473-F679 PolarHBondContact OG-O 3.34Å |
| 680 | G | 37.3 | Very low | 38.5 | Very low | 35 Ų | 35 | 125 Ų | 125 | 36% | 0.361 | 73% | 0.728 | S | S | . | * | | | trans | 81.2 | 118.1 | 148.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | E471 S473 | E471-G680 PolarHBondContact OE2-N 3.1Å; S473-G680 WeakPolarHBondContact CA-O 3.45Å; S473-G680 WeakPolarHBondContact CB-O 3.41Å; S473-G680 PolarHBondContact N-O 3.45Å; S473-G680 PolarHBondContact OG-O 2.78Å |
| 681 | D | 39.2 | Very low | 38.9 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 44% | 0.439 | 72% | 0.723 | S | S | . | * | | | trans | -110.3 | 176.7 | 177.8 | -122.6 | -31.5 | 0 | 0 | 0 | 115.4 | E471 T472 S473 | E471-D681 VanDerWaalsContact C-CB 3.46Å; E471-D681 VanDerWaalsContact C-OD2 3.27Å; T472-D681 VanDerWaalsContact N-CG 3.26Å; T472-D681 VanDerWaalsContact N-N 3.11Å; T472-D681 PolarHBondContact N-OD2 3.46Å; T472-D681 VanDerWaalsContact N-OD2 3.13Å; S473-D681 PolarHBondContact N-OD1 2.96Å |
| 682 | H | 48.7 | Very low | 39.4 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 49% | 0.491 | 73% | 0.732 | S | S | . | * | | | | 174.9 | 151.6 | 109.5 | -92.5 | -71.5 | 0 | 0 | 0 | 113.1 | | |
| 683 | D | 41.3 | Very low | 40.1 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | | | trans | -60.2 | 151.7 | -172.5 | -66.4 | -91.8 | 0 | 0 | 0 | 115.7 | | |
| 684 | Y | 40 | Very low | 40.8 | Very low | 215 Ų | 215 | 136.8 Ų | 136.8 | 84% | 0.843 | 73% | 0.729 | S | S | * | * | | | trans | -154.5 | 97.7 | 141 | -107.3 | -69.7 | 0 | 0 | 0 | 113.1 | | |
| 685 | C | 36.9 | Very low | 41.3 | Very low | 138 Ų | 138 | 139.4 Ų | 139.4 | 93% | 0.932 | 73% | 0.728 | S | S | * | * | | | trans | -142.2 | 44.6 | 161.6 | -99.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 686 | A | 34.2 | Very low | 41.5 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 69% | 0.686 | 73% | 0.733 | S | S | * | * | | | trans | -113.3 | 41.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 687 | L | 40.1 | Very low | 41.8 | Very low | 162 Ų | 162 | 137 Ų | 137 | 85% | 0.848 | 74% | 0.737 | S | S | * | * | | | trans | -128.2 | 69.7 | 174.9 | -73.9 | 179.9 | 0 | 0 | 0 | 113.2 | | |
| 688 | S | 47.2 | Very low | 42.2 | Very low | 126 Ų | 126 | 131.3 Ų | 131.3 | 88% | 0.881 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -159.9 | 35.3 | 166.4 | -87.8 | 0 | 0 | 0 | 0 | 115.9 | | |
| 689 | L | 45.7 | Very low | 42.4 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 97% | 0.969 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -135.2 | 50.8 | 171.3 | -111.4 | 172.9 | 0 | 0 | 0 | 112.9 | | |
| 690 | G | 42.8 | Very low | 42.9 | Very low | 78 Ų | 78 | 135 Ų | 135 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -127.9 | -23 | -172.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 691 | E | 42.7 | Very low | 43.1 | Very low | 150 Ų | 150 | 136.3 Ų | 136.3 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | | | trans | -137.9 | 50.9 | -169.2 | -146 | -167.9 | 159.8 | 0 | 0 | 116.5 | | |
| 692 | S | 46.7 | Very low | 43.2 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -106.5 | 27.2 | 175 | -156.8 | 0 | 0 | 0 | 0 | 114.1 | | |
| 693 | R | 47.5 | Very low | 42.8 | Very low | 229 Ų | 229 | 139.1 Ų | 139.1 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -147.7 | 52.6 | -175.8 | -152.7 | -176.4 | -171.5 | -157.5 | 2.2 | 116.3 | | |
| 694 | K | 51 | Low | 42.7 | Very low | 187 Ų | 187 | 140.1 Ų | 140.1 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -153.3 | 19.4 | 175 | -106.9 | 149.6 | -173.2 | 178.9 | 0 | 117.3 | | |
| 695 | R | 46.7 | Very low | 42.5 | Very low | 199 Ų | 199 | 138.9 Ų | 138.9 | 75% | 0.751 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -129.6 | 0.7 | -179.6 | -58.8 | -171.9 | -163.3 | 171.8 | 9.8 | 116.8 | A697 | R695-A697 VanDerWaalsContact C-N 3.29Å; R695-A697 PolarHBondContact O-N 3.48Å |
| 696 | S | 41.1 | Very low | 42.3 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | 10 | -178.5 | 44.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 697 | A | 41.6 | Very low | 42.2 | Very low | 94 Ų | 94 | 144.3 Ų | 144.3 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.2 | -14.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | R695 | R695-A697 VanDerWaalsContact C-N 3.29Å; R695-A697 PolarHBondContact O-N 3.48Å |
| 698 | A | 45 | Very low | 41.6 | Very low | 86 Ų | 86 | 140.3 Ų | 140.3 | 71% | 0.711 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -87.1 | -9.8 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 699 | I | 43 | Very low | 40.6 | Very low | 145 Ų | 145 | 138.2 Ų | 138.2 | 74% | 0.744 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -116.9 | 39.2 | -171.7 | -38.5 | -177 | 0 | 0 | 0 | 111.5 | | |
| 700 | L | 43.3 | Very low | 39.9 | Very low | 159 Ų | 159 | 134.9 Ų | 134.9 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -127.3 | 3 | 165.7 | -72.5 | 176.6 | 0 | 0 | 0 | 113.4 | | |
| 701 | G | 41.1 | Very low | 39.2 | Very low | 62 Ų | 62 | 140.1 Ų | 140.1 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -88.7 | -3.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 702 | A | 40.1 | Very low | 38.5 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -109.4 | 10.8 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 703 | I | 40.6 | Very low | 37.6 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -120.7 | -2.1 | -177.5 | -65.7 | 177.1 | 0 | 0 | 0 | 112.4 | | |
| 704 | L | 39.9 | Very low | 36.7 | Very low | 157 Ų | 157 | 130.7 Ų | 130.7 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | -126.1 | 79.4 | 175 | -74.2 | 173 | 0 | 0 | 0 | 111.4 | | |
| 705 | Q | 35.4 | Very low | 35.5 | Very low | 189 Ų | 189 | 128 Ų | 128 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -159.6 | 59.6 | 161.1 | -122.8 | 159.4 | 104.7 | 0 | 0 | 113.4 | | |
| 706 | T | 31.8 | Very low | 34.7 | Very low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | trans | -94.3 | 143.6 | 147.3 | 50.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 707 | Q | 32.7 | Very low | 34 | Very low | 198 Ų | 198 | 126.2 Ų | 126.2 | 93% | 0.925 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 87.8 | 129.9 | 169.5 | -162.7 | 167.7 | 29.9 | 0 | 0 | 117.9 | | |
| 708 | G | 27.4 | Very low | 33.3 | Very low | 79 Ų | 79 | 126.3 Ų | 126.3 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | | | trans | 88.5 | 101.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 709 | G | 27 | Very low | 32.3 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 85% | 0.845 | 79% | 0.787 | S | S | * | * | | | trans | -107.6 | 132.4 | 155.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 710 | S | 29.7 | Very low | 31.5 | Very low | 115 Ų | 115 | 125.4 Ų | 125.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -158.3 | 155.7 | 161.4 | -156.5 | 0 | 0 | 0 | 0 | 111 | | |
| 711 | E | 28.3 | Very low | 30.9 | Very low | 187 Ų | 187 | 123.1 Ų | 123.1 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -43.4 | 151.7 | -177 | -56.4 | 161.7 | 115.2 | 0 | 0 | 118.2 | | |
| 712 | G | 28.2 | Very low | 30.3 | Very low | 71 Ų | 71 | 126.1 Ų | 126.1 | 73% | 0.732 | 78% | 0.78 | S | S | * | * | | | | 109 | 107.6 | 116.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 713 | D | 28.9 | Very low | 29.8 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 94% | 0.936 | 77% | 0.771 | S | S | * | * | | | trans | 62.4 | 177.2 | 146.4 | -160.2 | 20.5 | 0 | 0 | 0 | 118.5 | | |
| 714 | G | 27.8 | Very low | 29.3 | Very low | 64 Ų | 64 | 126.8 Ų | 126.8 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | | | trans | 109.4 | 89.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 715 | T | 26.1 | Very low | 28.7 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -79.4 | 160.9 | 165.2 | -45.5 | 0 | 0 | 0 | 0 | 111 | | |
| 716 | Q | 29.6 | Very low | 28.6 | Very low | 179 Ų | 179 | 124.3 Ų | 124.3 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | trans | 79.7 | 160.4 | 167.6 | -49 | -178.1 | 24.1 | 0 | 0 | 115.9 | | |
| 717 | S | 26.7 | Very low | 28.3 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | cis | -168.5 | 179.8 | -35.1 | 65.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 718 | S | 27.5 | Very low | 28.1 | Very low | 95 Ų | 95 | 118.8 Ų | 118.8 | 66% | 0.664 | 75% | 0.745 | S | S | * | * | | | trans | 29.3 | 101.2 | 152.4 | 174.4 | 0 | 0 | 0 | 0 | 118.6 | | |
| 719 | S | 23.8 | Very low | 28 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 66% | 0.664 | 74% | 0.741 | S | S | * | * | | | | 80.2 | 130 | 81.9 | 91.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 720 | V | 26.2 | Very low | 28.1 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 71% | 0.709 | 74% | 0.736 | S | S | * | * | | | trans | 55.3 | 126.4 | 137.7 | -175 | 0 | 0 | 0 | 0 | 116.8 | | |
| 721 | V | 29.1 | Very low | 28 | Very low | 111 Ų | 111 | 125.7 Ų | 125.7 | 67% | 0.673 | 73% | 0.727 | S | S | * | * | | | | -165.9 | 177.3 | 54.3 | -135.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 722 | D | 28.7 | Very low | 27.9 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 67% | 0.674 | 72% | 0.721 | S | S | * | * | | | trans | 69.6 | 154.6 | 138.8 | -77.8 | 6.6 | 0 | 0 | 0 | 122 | | |
| 723 | N | 30.5 | Very low | 27.8 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 56% | 0.561 | 71% | 0.71 | S | S | * | * | | | cis | -159.6 | 165.5 | -18.6 | -130.3 | -44.1 | 0 | 0 | 0 | 111.1 | | |
| 724 | Q | 30.3 | Very low | 27.9 | Very low | 155 Ų | 155 | 124.1 Ų | 124.1 | 72% | 0.724 | 70% | 0.703 | S | S | * | * | | | trans | 52.2 | 127.8 | 151.4 | -73.2 | 158.7 | 69.4 | 0 | 0 | 120.2 | | |
| 725 | V | 27.8 | Very low | 27.9 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 75% | 0.752 | 71% | 0.705 | S | S | * | * | | | | 85 | 136.3 | 53.7 | 169.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 726 | L | 31.6 | Very low | 28.3 | Very low | 171 Ų | 171 | 129.3 Ų | 129.3 | 90% | 0.895 | 70% | 0.7 | S | S | * | * | | | trans | 67.9 | 142.1 | -179.3 | -75.1 | 152.8 | 0 | 0 | 0 | 115.8 | | |
| 727 | G | 26.8 | Very low | 28.3 | Very low | 60 Ų | 60 | 129.4 Ų | 129.4 | 62% | 0.619 | 69% | 0.693 | S | S | * | * | | | cis | 173.5 | 171.5 | -5.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 728 | E | 28.2 | Very low | 28.3 | Very low | 158 Ų | 158 | 131.2 Ų | 131.2 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | | | trans | 64 | 123.8 | 174.2 | -64.6 | -155.3 | 106.1 | 0 | 0 | 116.4 | | |
| 729 | K | 24.2 | Very low | 28.3 | Very low | 169 Ų | 169 | 132 Ų | 132 | 74% | 0.735 | 70% | 0.695 | S | S | * | * | | | cis | 86.1 | 156.8 | 48.5 | -178.8 | -154 | -173.1 | -168.5 | 0 | 110.9 | | |
| 730 | V | 29.9 | Very low | 28.3 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 73% | 0.727 | 70% | 0.7 | S | S | * | * | | | trans | 84.6 | 136.6 | -179.3 | -178.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 731 | Q | 27.5 | Very low | 28.3 | Very low | 132 Ų | 132 | 133.9 Ų | 133.9 | 62% | 0.617 | 69% | 0.694 | S | S | * | * | | | cis | -173 | 135.8 | -25.6 | 178.9 | 158.5 | -9.2 | 0 | 0 | 107.4 | | |
| 732 | E | 26 | Very low | 28.1 | Very low | 163 Ų | 163 | 136.9 Ų | 136.9 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | | | trans | 57.9 | 172.3 | 159.1 | -80.6 | 147.4 | -146.9 | 0 | 0 | 116.9 | | |
| 733 | S | 27.4 | Very low | 27.9 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 50% | 0.497 | 71% | 0.705 | S | S | . | * | | | cis | -153.6 | 170.9 | -26.6 | 46.2 | 0 | 0 | 0 | 0 | 107.6 | | |
| 734 | E | 29.5 | Very low | 27.8 | Very low | 166 Ų | 166 | 137 Ų | 137 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | | | trans | 63.7 | 160.4 | 141 | -79.8 | 147.4 | -178.1 | 0 | 0 | 117.6 | | |
| 735 | E | 29.7 | Very low | 27.7 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 71% | 0.71 | 71% | 0.712 | S | S | * | * | | | cis | -150.4 | 171.6 | -27.2 | -140.8 | -179.9 | 169.2 | 0 | 0 | 106.9 | | |
| 736 | E | 33.2 | Very low | 27.6 | Very low | 149 Ų | 149 | 137.9 Ų | 137.9 | 70% | 0.696 | 71% | 0.714 | S | S | * | * | | | trans | 65.6 | 162 | 149.5 | -77.2 | -146.2 | 148.2 | 0 | 0 | 117.4 | | |
| 737 | R | 29.4 | Very low | 27.4 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | | | cis | -168.1 | 163.1 | -16.7 | 164.9 | 161 | 178.2 | -94 | 6.6 | 109.9 | | |
| 738 | L | 27.6 | Very low | 27.4 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 71% | 0.707 | 71% | 0.705 | S | S | * | * | | | trans | 0.2 | 141.6 | 154.2 | -55.1 | 166.4 | 0 | 0 | 0 | 116.6 | | |
| 739 | V | 26.5 | Very low | 27.5 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 68% | 0.679 | 70% | 0.701 | S | S | * | * | | | cis | -170.4 | -175.4 | 20.7 | 102.6 | 0 | 0 | 0 | 0 | 111.8 | | |
| 740 | M | 23.9 | Very low | 27.8 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 76% | 0.764 | 70% | 0.7 | S | S | * | * | | | trans | -22.3 | 162.2 | 159.8 | -48.4 | 162.6 | 78.1 | 0 | 0 | 116.4 | | |
| 741 | T | 26.3 | Very low | 27.8 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 58% | 0.583 | 70% | 0.703 | S | S | * | * | | | cis | -170.1 | 169.6 | 47.8 | -24.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 742 | E | 25.4 | Very low | 27.8 | Very low | 175 Ų | 175 | 138.4 Ų | 138.4 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | | | trans | 22.1 | 152.5 | 135.6 | -77.7 | 173.1 | 177.6 | 0 | 0 | 121.7 | | |
| 743 | V | 25.3 | Very low | 27.9 | Very low | 124 Ų | 124 | 139.4 Ų | 139.4 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | | | cis | 179.9 | 174 | -18.1 | 110.4 | 0 | 0 | 0 | 0 | 106.6 | | |
| 744 | V | 26.6 | Very low | 28.1 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 66% | 0.661 | 72% | 0.724 | S | S | * | * | | | trans | 78.2 | 111.5 | 163.5 | 140.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 745 | E | 28.7 | Very low | 28.1 | Very low | 168 Ų | 168 | 141.3 Ų | 141.3 | 79% | 0.785 | 73% | 0.728 | S | S | * | * | | | | 39 | 170.3 | 121.3 | -54.3 | -173.3 | 110.8 | 0 | 0 | 124.5 | | |
| 746 | T | 25.5 | Very low | 28.2 | Very low | 129 Ų | 129 | 138.8 Ų | 138.8 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | | | trans | 76 | 127.3 | 177.4 | 67.9 | 0 | 0 | 0 | 0 | 115.3 | | |
| 747 | Q | 28.2 | Very low | 27.9 | Very low | 149 Ų | 149 | 136.1 Ų | 136.1 | 70% | 0.696 | 72% | 0.724 | S | S | * | * | | | cis | 106.9 | 124.7 | 26.1 | -176.6 | 174.4 | -2.6 | 0 | 0 | 111.8 | | |
| 748 | E | 27.4 | Very low | 28 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | | | trans | 74.8 | 115.9 | 157.8 | -76.3 | 168 | -171.5 | 0 | 0 | 123 | | |
| 749 | Q | 30.2 | Very low | 28.9 | Very low | 137 Ų | 137 | 131.5 Ų | 131.5 | 64% | 0.64 | 73% | 0.729 | S | S | * | * | | | | 65.5 | 113.5 | 119.4 | -65.4 | -174.4 | 61.6 | 0 | 0 | 122.6 | | |
| 750 | Q | 30.4 | Very low | 29.9 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | | | | 80.2 | 160.6 | 124.8 | -66 | -174.8 | 21.9 | 0 | 0 | 122.2 | | |
| 751 | T | 28.9 | Very low | 30.3 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | | | trans | 81 | 154.5 | 163.5 | 71.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 752 | T | 28.8 | Very low | 30.4 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | | | | 174.6 | 138.2 | -69 | -80.1 | 0 | 0 | 0 | 0 | 109.5 | | |
| 753 | M | 27.4 | Very low | 30.4 | Very low | 183 Ų | 183 | 127.4 Ų | 127.4 | 90% | 0.901 | 73% | 0.729 | S | S | * | * | | | trans | -134.9 | 125 | 159 | -61 | -174.6 | -178 | 0 | 0 | 106.8 | | |
| 754 | V | 32.3 | Very low | 30.5 | Very low | 116 Ų | 116 | 130.3 Ų | 130.3 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | | | | 66 | 127.7 | 53.6 | -176 | 0 | 0 | 0 | 0 | 110.2 | | |
| 755 | L | 29.5 | Very low | 30.5 | Very low | 162 Ų | 162 | 130 Ų | 130 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | | | cis | -92.9 | -174.9 | 13.7 | -68.6 | 166.4 | 0 | 0 | 0 | 113.9 | | |
| 756 | S | 31.8 | Very low | 30.4 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | cis | 176.1 | -175.6 | -42 | -149.9 | 0 | 0 | 0 | 0 | 106.8 | | |
| 757 | S | 26.7 | Very low | 30.4 | Very low | 93 Ų | 93 | 128.9 Ų | 128.9 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | | | cis | -160.8 | 140.3 | 5.1 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 758 | S | 31.5 | Very low | 30.3 | Very low | 106 Ų | 106 | 126.5 Ų | 126.5 | 74% | 0.741 | 75% | 0.749 | S | S | * | * | | | | 55.7 | 151.5 | 128.3 | -53.6 | 0 | 0 | 0 | 0 | 123.7 | | |
| 759 | P | 46.3 | Very low | 30.5 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 75% | 0.747 | 76% | 0.759 | S | S | * | * | | | cis | -141.7 | -151.1 | -34.7 | 37.8 | -15.9 | 0 | 0 | 0 | 112.1 | | |
| 760 | P | 47.5 | Very low | 31.4 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | | | | -108.4 | -168 | -80.8 | 32.4 | -10.2 | 0 | 0 | 0 | 111.3 | | |
| 761 | S | 31.7 | Very low | 32.1 | Very low | 90 Ų | 90 | 123.5 Ų | 123.5 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | cis | -162.4 | 160.4 | 32.1 | -49.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 762 | D | 27.6 | Very low | 31.9 | Very low | 139 Ų | 139 | 123.2 Ų | 123.2 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | | | trans | 42.6 | 126.1 | 149.4 | -47 | -29.9 | 0 | 0 | 0 | 121 | | |
| 763 | C | 26.2 | Very low | 31.8 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | cis | 82.2 | 102.2 | 20.4 | -50 | 0 | 0 | 0 | 0 | 118.1 | | |
| 764 | Q | 28.2 | Very low | 32.1 | Very low | 186 Ų | 186 | 122.5 Ų | 122.5 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | | | trans | 176.9 | 149.4 | 135.2 | -95 | 151.3 | 102.7 | 0 | 0 | 109.2 | | |
| 765 | S | 25.3 | Very low | 32.2 | Very low | 101 Ų | 101 | 125.2 Ų | 125.2 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | cis | 119.6 | 136.3 | -1.9 | -70.2 | 0 | 0 | 0 | 0 | 114.4 | | |
| 766 | I | 26.9 | Very low | 32.5 | Very low | 179 Ų | 179 | 126.5 Ų | 126.5 | 92% | 0.918 | 77% | 0.766 | S | S | * | * | | | trans | 82.2 | 150.8 | 162.2 | -65 | 165 | 0 | 0 | 0 | 117.5 | | |
| 767 | A | 24.6 | Very low | 32.6 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | -100.7 | 163.6 | -162.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 768 | A | 28 | Very low | 32.8 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | | | trans | -151.3 | 160.4 | 153.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 769 | T | 30.6 | Very low | 32.8 | Very low | 138 Ų | 138 | 131 Ų | 131 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | | | trans | -112.1 | -176.3 | 171.9 | -6.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 770 | P | 48.7 | Very low | 31.9 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | trans | -88 | -177.3 | -142.6 | 46.5 | -41.6 | 0 | 0 | 0 | 112.7 | | |
| 771 | P | 44.9 | Very low | 31.1 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | | | | -152.9 | -167.6 | 80.5 | 37 | -14.1 | 0 | 0 | 0 | 115.1 | | |
| 772 | V | 24.8 | Very low | 30.9 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | | | trans | 71.2 | 116.7 | 161.5 | -179.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 773 | S | 28.4 | Very low | 31 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | cis | 81.8 | 156 | 11.2 | -29.2 | 0 | 0 | 0 | 0 | 115.2 | | |
| 774 | E | 32.2 | Very low | 31.2 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 78% | 0.781 | S | S | * | * | | | cis | -131.1 | -138.6 | 8 | -64.6 | -176.6 | 63.5 | 0 | 0 | 111.5 | | |
| 775 | E | 34.1 | Very low | 31.4 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | 52.8 | 113.6 | 159.2 | 76.3 | -167.1 | -165.3 | 0 | 0 | 122.4 | | |
| 776 | E | 35.9 | Very low | 32.1 | Very low | 189 Ų | 189 | 133.6 Ų | 133.6 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | | | | 93.5 | 148.6 | 93.6 | -76.3 | -166 | 161 | 0 | 0 | 113.7 | | |
| 777 | A | 34 | Very low | 32.3 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | cis | -140.8 | 175.5 | 5.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 778 | E | 32.5 | Very low | 33.4 | Very low | 147 Ų | 147 | 130.9 Ų | 130.9 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | | | trans | -45.5 | 163.1 | 167.7 | -46.7 | -174 | 143.9 | 0 | 0 | 115.2 | | |
| 779 | H | 29.9 | Very low | 33.6 | Very low | 158 Ų | 158 | 133.3 Ų | 133.3 | 73% | 0.731 | 77% | 0.767 | S | S | * | * | | | | -154.9 | 140.9 | 65.3 | -66.5 | -56.3 | 0 | 0 | 0 | 111.7 | | |
| 780 | L | 28.4 | Very low | 33.4 | Very low | 137 Ų | 137 | 134.4 Ų | 134.4 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | | | | 49.3 | 136.7 | 90.5 | -47.8 | 173.2 | 0 | 0 | 0 | 115 | | |
| 781 | S | 29.3 | Very low | 32.5 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | cis | -173.7 | 162.7 | -5.9 | -105.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 782 | A | 27.6 | Very low | 31.7 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | trans | 65.6 | 158 | 155.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 783 | S | 29.8 | Very low | 32.2 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | | | cis | -167.8 | 142.4 | -25 | 54.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 784 | R | 32 | Very low | 33 | Very low | 231 Ų | 231 | 138.1 Ų | 138.1 | 87% | 0.872 | 77% | 0.768 | S | S | * | * | | | trans | 46.9 | 110.7 | 149.2 | -70.2 | -177.9 | 165.8 | -172.8 | -4.7 | 121.7 | | |
| 785 | S | 31.7 | Very low | 32.7 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | trans | 64.6 | 168.7 | 135 | 70.4 | 0 | 0 | 0 | 0 | 120.2 | | |
| 786 | P | 40.7 | Very low | 32.9 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | cis | -123 | -175.4 | -20.8 | 34.1 | -15.3 | 0 | 0 | 0 | 113.4 | | |
| 787 | S | 31.2 | Very low | 33.2 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -87.6 | -179.3 | 174 | -27.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 788 | P | 46.6 | Very low | 32.8 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 69% | 0.688 | 77% | 0.77 | S | S | * | * | | | cis | -143.1 | -170.6 | -5.3 | 45.8 | -27.9 | 0 | 0 | 0 | 116.5 | | |
| 789 | I | 31.6 | Very low | 32.8 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 77% | 0.774 | 78% | 0.779 | S | S | * | * | | | trans | 73.6 | 127 | 155.8 | -65.8 | 165.2 | 0 | 0 | 0 | 120.9 | | |
| 790 | L | 27.7 | Very low | 33 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | 171.2 | 123.7 | 131 | -88.1 | 173.7 | 0 | 0 | 0 | 106.3 | | |
| 791 | H | 29.1 | Very low | 33.2 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | | | | 85.5 | 134 | 56.9 | -155.8 | -100.1 | 0 | 0 | 0 | 115.1 | | |
| 792 | M | 28.9 | Very low | 33.1 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | | | trans | 108.3 | 136.8 | 167.9 | -53.6 | -83.7 | 37 | 0 | 0 | 119.2 | | |
| 793 | C | 34.5 | Very low | 33.1 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -107 | 177 | 165.2 | -53.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 794 | P | 44.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | | | trans | -133.6 | 135.4 | 144.3 | 35.5 | -22.6 | 0 | 0 | 0 | 115 | | |
| 795 | D | 26.6 | Very low | 33.1 | Very low | 161 Ų | 161 | 133.4 Ų | 133.4 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | 61.2 | 153.3 | 134.4 | -51.4 | -29.7 | 0 | 0 | 0 | 124.4 | | |
| 796 | S | 38.3 | Very low | 33 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -140.1 | 151.3 | 176.2 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 797 | P | 41.8 | Very low | 32.6 | Very low | 123 Ų | 123 | 134.4 Ų | 134.4 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | | | trans | -127.8 | 135.9 | 142.9 | 34.4 | -23.2 | 0 | 0 | 0 | 110.8 | | |
| 798 | S | 26.7 | Very low | 32.7 | Very low | 118 Ų | 118 | 137.7 Ų | 137.7 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | cis | 80.4 | 89.5 | 48.8 | 178.8 | 0 | 0 | 0 | 0 | 115 | | |
| 799 | S | 31.1 | Very low | 31.9 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | | | trans | -159.9 | 163.1 | 143 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 800 | K | 34.5 | Very low | 31.9 | Very low | 201 Ų | 201 | 136.9 Ų | 136.9 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -116.2 | 152.5 | -176.8 | -53.1 | 172.3 | 179.5 | 179.3 | 0 | 110.8 | | |
| 801 | T | 31.8 | Very low | 32.3 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | | | trans | -156.8 | 149.7 | 144.7 | 31.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 802 | D | 29.1 | Very low | 32.6 | Very low | 153 Ų | 153 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | trans | -86.5 | -174.1 | 171.9 | -75 | -78.6 | 0 | 0 | 0 | 112.3 | | |
| 803 | S | 27.6 | Very low | 33 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | | | trans | 71.2 | 159.2 | 167 | -73.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 804 | S | 31.8 | Very low | 33.6 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 57% | 0.573 | 80% | 0.8 | S | S | * | * | | | cis | -173 | 172.3 | -39.8 | 48.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 805 | E | 29 | Very low | 33.7 | Very low | 168 Ų | 168 | 140 Ų | 140 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | 64.9 | 99.8 | 161.3 | -69 | 158.9 | 96.5 | 0 | 0 | 119.9 | | |
| 806 | N | 29.6 | Very low | 34.5 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 80% | 0.8 | S | S | * | * | | | | 61.7 | 154.1 | 106.5 | -158.3 | 36.4 | 0 | 0 | 0 | 121.6 | | |
| 807 | S | 33.3 | Very low | 34.7 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | | | trans | 67.5 | 157 | 173 | 76 | 0 | 0 | 0 | 0 | 117.1 | | |
| 808 | E | 32.1 | Very low | 34.6 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | | | cis | -175.3 | 127.7 | -31.9 | 175.8 | 179.2 | 124.3 | 0 | 0 | 106.6 | | |
| 809 | S | 29.1 | Very low | 35.5 | Very low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | | | trans | 166.5 | 139.4 | 144.4 | 38.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 810 | C | 33.1 | Very low | 36.1 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | -99.6 | 150.9 | 171.8 | -52.3 | 0 | 0 | 0 | 0 | 109.6 | | |
| 811 | T | 35 | Very low | 36.7 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | | | | -162.1 | 126.6 | 125.3 | 33.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 812 | D | 36.1 | Very low | 37.6 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | | | trans | 48.4 | 105.9 | 143.1 | -156.6 | 15.6 | 0 | 0 | 0 | 121.2 | N814 | D812-N814 WeakPolarHBondContact OD1-CB 3.41Å; D812-N814 PolarHBondContact OD1-N 2.94Å |
| 813 | D | 37.9 | Very low | 38.9 | Very low | 158 Ų | 158 | 131.3 Ų | 131.3 | 85% | 0.845 | 71% | 0.714 | S | S | * | * | | | trans | -141 | 45.7 | 156.4 | -107.9 | -42.5 | 0 | 0 | 0 | 109.2 | Q815 | D813-Q815 VanDerWaalsContact C-N 3.32Å; D813-Q815 PolarHBondContact O-N 3.1Å; D813-Q815 VanDerWaalsContact O-N 3.13Å |
| 814 | N | 47.5 | Very low | 40.4 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 37.2 | -161.9 | -136.6 | -19.9 | 0 | 0 | 0 | 114.9 | D812 | D812-N814 WeakPolarHBondContact OD1-CB 3.41Å; D812-N814 PolarHBondContact OD1-N 2.94Å |
| 815 | Q | 45.7 | Very low | 42 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.2 | 7.9 | -171.1 | -146.3 | 69.3 | 94.5 | 0 | 0 | 117.9 | D813 | D813-Q815 VanDerWaalsContact C-N 3.32Å; D813-Q815 PolarHBondContact O-N 3.1Å; D813-Q815 VanDerWaalsContact O-N 3.13Å |
| 816 | E | 42.9 | Very low | 44.3 | Very low | 145 Ų | 145 | 126 Ų | 126 | 68% | 0.678 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -126.9 | 22.2 | 178.4 | -145.9 | -151.8 | 107.4 | 0 | 0 | 115.6 | K820 | E816-K820 PolarHBondContact O-NZ 2.82Å; E816-K820 IonicContact OE1-NZ 2.6Å; E816-K820 PolarHBondContact OE1-NZ 3.19Å |
| 817 | N | 42.2 | Very low | 47 | Very low | 111 Ų | 111 | 123 Ų | 123 | 59% | 0.594 | 66% | 0.658 | S | S | * | * | | | trans | -117.4 | 19.2 | -172.9 | -70.3 | -46 | 0 | 0 | 0 | 115.1 | | |
| 818 | K | 41.3 | Very low | 49.7 | Very low | 188 Ų | 188 | 121.1 Ų | 121.1 | 82% | 0.817 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -92.1 | -26.8 | -177.8 | -163.7 | 153.4 | -173.7 | 170.3 | 0 | 115.2 | | |
| 819 | D | 45.3 | Very low | 52.4 | Low | 140 Ų | 140 | 115.9 Ų | 115.9 | 75% | 0.749 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -92.1 | -15.9 | -179 | -55.9 | -41.2 | 0 | 0 | 0 | 113.4 | | |
| 820 | K | 43.2 | Very low | 55.5 | Low | 105 Ų | 105 | 117.5 Ų | 117.5 | 46% | 0.457 | 61% | 0.606 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.4 | -18.5 | -173.6 | -66 | 167.9 | -173.5 | 145.3 | 0 | 114.3 | E816 D822 | E816-K820 PolarHBondContact O-NZ 2.82Å; E816-K820 IonicContact OE1-NZ 2.6Å; E816-K820 PolarHBondContact OE1-NZ 3.19Å; K820-D822 VanDerWaalsContact C-N 3.33Å |
| 821 | S | 47.5 | Very low | 58.4 | Low | 69 Ų | 69 | 114.1 Ų | 114.1 | 48% | 0.483 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.6 | -7.5 | 178.7 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | N825 | S821-N825 PolarHBondContact O-ND2 3.28Å; S821-N825 VanDerWaalsContact O-ND2 3.14Å |
| 822 | D | 51 | Low | 61.2 | Low | 75 Ų | 75 | 113 Ų | 113 | 40% | 0.401 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -84.3 | -21 | -176.8 | -173.5 | 46.3 | 0 | 0 | 0 | 112.6 | K820 C826 R872 | K820-D822 VanDerWaalsContact C-N 3.33Å; D822-C826 PolarHBondContact O-SG 3.45Å; D822-C826 VanDerWaalsContact O-SG 3.34Å; D822-R872 PolarHBondContact O-NH1 2.84Å; D822-R872 IonicContact OD1-CZ 3.21Å; D822-R872 IonicContact OD1-NH1 3.59Å; D822-R872 PolarHBondContact OD1-NH1 3.43Å; D822-R872 IonicContact OD1-NH2 3.58Å; D822-R872 IonicContact OD2-CZ 3.43Å; D822-R872 IonicContact OD2-NH1 2.73Å; D822-R872 PolarHBondContact OD2-NH1 3.45Å; D822-R872 IonicContact OD2-NH2 3.97Å; D822-R872 PolarHBondContact OD2-NH2 3.46Å |
| 823 | E | 55.2 | Low | 63.9 | Low | 128 Ų | 128 | 111.7 Ų | 111.7 | 60% | 0.598 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -79.8 | -31.2 | 179.2 | -57.7 | -157 | 97.3 | 0 | 0 | 113.2 | N825 C826 K870 | E823-N825 PolarHBondContact O-N 2.87Å; E823-C826 WeakPolarHBondContact O-CB 3.49Å; E823-C826 PolarHBondContact O-N 2.82Å; E823-K870 IonicContact OE1-NZ 2.64Å |
| 824 | D | 58.9 | Low | 66.6 | Low | 144 Ų | 144 | 105 Ų | 105 | 77% | 0.77 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.4 | -178.9 | -75.3 | -32.1 | 0 | 0 | 0 | 114 | | |
| 825 | N | 66.6 | Low | 68.8 | Low | 87 Ų | 87 | 101.7 Ų | 101.7 | 47% | 0.465 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 9.9 | -178.9 | -65.1 | -79.2 | 0 | 0 | 0 | 113.4 | S821 E823 Q873 | S821-N825 PolarHBondContact O-ND2 3.28Å; S821-N825 VanDerWaalsContact O-ND2 3.14Å; E823-N825 PolarHBondContact O-N 2.87Å; N825-Q873 PolarHBondContact O-N 3.36Å; N825-Q873 VanDerWaalsContact O-N 3.15Å |
| 826 | C | 76.8 | Confident | 70.9 | Confident | 22 Ų | 22 | 97.8 Ų | 97.8 | 15% | 0.149 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 110.3 | -172.6 | -67.9 | 0 | 0 | 0 | 0 | 113 | D822 E823 K870 I871 | D822-C826 PolarHBondContact O-SG 3.45Å; D822-C826 VanDerWaalsContact O-SG 3.34Å; E823-C826 WeakPolarHBondContact O-CB 3.49Å; E823-C826 PolarHBondContact O-N 2.82Å; C826-K870 HydrophobicContact CB-CD 4.21Å; C826-K870 HydrophobicContact CB-CG 3.83Å; C826-K870 WeakPolarHBondContact SG-CE 3.45Å; C826-I871 CarbonylContact C-O 3.53Å; C826-I871 WeakPolarHBondContact CA-O 3.42Å |
| 827 | Q | 85.8 | Confident | 73.2 | Confident | 89 Ų | 89 | 100.9 Ų | 100.9 | 42% | 0.416 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 121.7 | 175.3 | -167.1 | 172.1 | 7.9 | 0 | 0 | 110.9 | F829 I871 | Q827-F829 HydrophobicContact CB-CE2 4.02Å; Q827-F829 HydrophobicContact CB-CZ 4.46Å; Q827-F829 HydrophobicContact CG-CD2 4.36Å; Q827-F829 HydrophobicContact CG-CE1 4.42Å; Q827-F829 HydrophobicContact CG-CE2 3.63Å; Q827-F829 HydrophobicContact CG-CZ 3.68Å; Q827-I871 PolarHBondContact N-O 2.83Å; Q827-I871 PolarHBondContact O-N 3.32Å |
| 828 | V | 89.7 | Confident | 75.7 | Confident | 65 Ų | 65 | 96.1 Ų | 96.1 | 39% | 0.394 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.6 | 179.7 | -173.8 | 0 | 0 | 0 | 0 | 111.1 | Y830 V868 I869 K870 | V828-Y830 HydrophobicContact CB-CE2 4.49Å; V828-Y830 HydrophobicContact CG1-CD2 4.33Å; V828-Y830 HydrophobicContact CG1-CE2 3.64Å; V828-V868 HydrophobicContact CG1-CG1 3.95Å; V828-I869 CarbonylContact C-O 3.56Å; V828-I869 WeakPolarHBondContact CA-O 3.46Å; V828-K870 HydrophobicContact CG2-CB 4.25Å; V828-K870 HydrophobicContact CG2-CG 4.13Å |
| 829 | F | 90.6 | Very high | 78.1 | Confident | 69 Ų | 69 | 91 Ų | 91 | 30% | 0.303 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 142 | 176 | -58.9 | -94.3 | 0 | 0 | 0 | 111.1 | Q827 V868 I869 I871 | Q827-F829 HydrophobicContact CB-CE2 4.02Å; Q827-F829 HydrophobicContact CB-CZ 4.46Å; Q827-F829 HydrophobicContact CG-CD2 4.36Å; Q827-F829 HydrophobicContact CG-CE1 4.42Å; Q827-F829 HydrophobicContact CG-CE2 3.63Å; Q827-F829 HydrophobicContact CG-CZ 3.68Å; F829-V868 WeakPolarHBondContact O-CA 3.3Å; F829-I869 HydrophobicContact CB-CB 4.4Å; F829-I869 PolarHBondContact N-O 3.37Å; F829-I869 PolarHBondContact O-N 3.11Å; F829-I871 HydrophobicContact CD2-CD1 4.02Å; F829-I871 HydrophobicContact CD2-CG1 4.09Å; F829-I871 HydrophobicContact CE2-CB 4.45Å; F829-I871 HydrophobicContact CE2-CD1 3.67Å; F829-I871 HydrophobicContact CE2-CG1 3.96Å |
| 830 | Y | 93.3 | Very high | 80.4 | Confident | 152 Ų | 152 | 87.9 Ų | 87.9 | 60% | 0.596 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.3 | 174.3 | -66.4 | -89.2 | 0 | 0 | 0 | 109.8 | V828 G867 V868 | V828-Y830 HydrophobicContact CB-CE2 4.49Å; V828-Y830 HydrophobicContact CG1-CD2 4.33Å; V828-Y830 HydrophobicContact CG1-CE2 3.64Å; Y830-G867 CarbonylContact C-O 3.6Å; Y830-G867 WeakPolarHBondContact CA-O 3.32Å; Y830-V868 HydrophobicContact CD1-CG1 4.35Å; Y830-V868 HydrophobicContact CD1-CG2 3.88Å; Y830-V868 HydrophobicContact CE1-CB 4.4Å; Y830-V868 HydrophobicContact CE1-CG1 3.86Å; Y830-V868 HydrophobicContact CE1-CG2 3.77Å |
| 831 | I | 93.1 | Very high | 82.7 | Confident | 52 Ų | 52 | 86.9 Ų | 86.9 | 27% | 0.267 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 104.4 | 179.4 | -50.6 | 178.6 | 0 | 0 | 0 | 108.6 | L834 L843 F847 C866 G867 I869 | I831-L834 HydrophobicContact CB-CD2 4.1Å; I831-L834 HydrophobicContact CG2-CD2 3.55Å; I831-L834 HydrophobicContact CG2-CG 4.4Å; I831-L843 HydrophobicContact CD1-CD2 4.41Å; I831-F847 HydrophobicContact CD1-CE2 3.66Å; I831-F847 HydrophobicContact CD1-CZ 3.6Å; I831-C866 CarbonylContact O-C 3.53Å; I831-C866 VanDerWaalsContact O-CA 3.24Å; I831-C866 WeakPolarHBondContact O-CA 3.49Å; I831-G867 PolarHBondContact N-O 2.89Å; I831-G867 PolarHBondContact O-N 2.98Å; I831-I869 HydrophobicContact CD1-CD1 3.51Å; I831-I869 HydrophobicContact CG1-CD1 4.22Å |
| 832 | H | 94.4 | Very high | 84.9 | Confident | 117 Ų | 117 | 86.2 Ų | 86.2 | 54% | 0.542 | 44% | 0.435 | S | S | . | . | | | trans | -74.9 | 165.6 | 176.6 | -67 | -89.4 | 0 | 0 | 0 | 112.3 | L834 E864 C866 | H832-L834 PolarHBondContact O-N 3.19Å; H832-E864 IonicContact ND1-OE2 3.85Å; H832-C866 PolarHBondContact ND1-SG 2.83Å; H832-C866 VanDerWaalsContact ND1-SG 3.39Å |
| 833 | N | 92.8 | Very high | 86.9 | Confident | 107 Ų | 107 | 82.9 Ų | 82.9 | 57% | 0.572 | 42% | 0.418 | S | S | * | . | S | Bend | trans | 51.1 | 43.4 | 174.3 | -79.2 | -68.2 | 0 | 0 | 0 | 115.8 | P835 E864 R865 | N833-P835 WeakPolarHBondContact O-CD 3.46Å; N833-E864 VanDerWaalsContact CG-CD 3.5Å; N833-E864 PolarHBondContact ND2-OE1 2.83Å; N833-E864 PolarHBondContact ND2-OE2 2.57Å; N833-E864 PolarHBondContact OD1-OE1 2.87Å; N833-R865 PolarHBondContact N-O 3.43Å; N833-R865 VanDerWaalsContact N-O 3.08Å |
| 834 | L | 94.6 | Very high | 88.6 | Confident | 18 Ų | 18 | 81 Ų | 81 | 9% | 0.094 | 41% | 0.405 | C | S | . | . | | | trans | -65.3 | 126.8 | 175.4 | -69.6 | -176 | 0 | 0 | 0 | 112 | I831 H832 V838 L843 V858 R865 G867 | I831-L834 HydrophobicContact CB-CD2 4.1Å; I831-L834 HydrophobicContact CG2-CD2 3.55Å; I831-L834 HydrophobicContact CG2-CG 4.4Å; H832-L834 PolarHBondContact O-N 3.19Å; L834-V838 HydrophobicContact CB-CB 4.27Å; L834-V838 HydrophobicContact CB-CG2 4.4Å; L834-V838 HydrophobicContact CD1-CB 4.49Å; L834-V838 HydrophobicContact CD1-CG1 3.98Å; L834-V838 HydrophobicContact CD2-CG1 4.24Å; L834-V838 HydrophobicContact CD2-CG2 4.45Å; L834-L843 HydrophobicContact CD1-CD1 4.02Å; L834-L843 HydrophobicContact CD1-CD2 4.41Å; L834-L843 HydrophobicContact CD2-CD2 4.41Å; L834-V858 HydrophobicContact CD1-CG1 4.28Å; L834-V858 HydrophobicContact CD1-CG2 4.17Å; L834-R865 HydrophobicContact CB-CB 3.9Å; L834-R865 PolarHBondContact N-O 3.27Å; L834-R865 WeakPolarHBondContact O-CB 3.12Å; L834-R865 WeakPolarHBondContact O-CD 3.49Å; L834-G867 VanDerWaalsContact CD1-N 3.28Å |
| 835 | P | 93.5 | Very high | 90.1 | Very high | 68 Ų | 68 | 83 Ų | 83 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | | | trans | -55.4 | 152 | 172.6 | -27.9 | 35.5 | 0 | 0 | 0 | 113.2 | N833 R837 V838 R865 | N833-P835 WeakPolarHBondContact O-CD 3.46Å; P835-R837 HydrophobicContact CB-CG 4.12Å; P835-R837 PolarHBondContact O-N 3.21Å; P835-R837 VanDerWaalsContact O-N 3.12Å; P835-V838 HydrophobicContact CB-CG2 4.26Å; P835-V838 HydrophobicContact CG-CG2 4.42Å; P835-V838 WeakPolarHBondContact O-CB 3.39Å; P835-V838 WeakPolarHBondContact O-CG2 3.48Å; P835-V838 PolarHBondContact O-N 2.83Å; P835-R865 PolarHBondContact O-NH1 3.4Å |
| 836 | S | 89.3 | Confident | 91.2 | Very high | 102 Ų | 102 | 86.4 Ų | 86.4 | 71% | 0.713 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -34.4 | -178.8 | 53.9 | 0 | 0 | 0 | 0 | 114.2 | V838 R865 | S836-V838 VanDerWaalsContact C-N 3.26Å; S836-V838 PolarHBondContact O-N 2.78Å; S836-R865 VanDerWaalsContact O-CZ 3.25Å; S836-R865 PolarHBondContact O-NH1 3.15Å; S836-R865 PolarHBondContact O-NH2 2.73Å |
| 837 | R | 92.2 | Very high | 91.8 | Very high | 210 Ų | 210 | 87.4 Ų | 87.4 | 79% | 0.792 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.5 | 175.8 | 62.8 | -179.7 | 174.8 | -175 | -1.3 | 115.4 | P835 | P835-R837 HydrophobicContact CB-CG 4.12Å; P835-R837 PolarHBondContact O-N 3.21Å; P835-R837 VanDerWaalsContact O-N 3.12Å |
| 838 | V | 94.3 | Very high | 91.8 | Very high | 12 Ų | 12 | 87.9 Ų | 87.9 | 7% | 0.073 | 41% | 0.412 | C | S | . | . | | | trans | -78.5 | 127.6 | 178.1 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | L834 P835 S836 M842 L843 R865 | L834-V838 HydrophobicContact CB-CB 4.27Å; L834-V838 HydrophobicContact CB-CG2 4.4Å; L834-V838 HydrophobicContact CD1-CB 4.49Å; L834-V838 HydrophobicContact CD1-CG1 3.98Å; L834-V838 HydrophobicContact CD2-CG1 4.24Å; L834-V838 HydrophobicContact CD2-CG2 4.45Å; P835-V838 HydrophobicContact CB-CG2 4.26Å; P835-V838 HydrophobicContact CG-CG2 4.42Å; P835-V838 WeakPolarHBondContact O-CB 3.39Å; P835-V838 WeakPolarHBondContact O-CG2 3.48Å; P835-V838 PolarHBondContact O-N 2.83Å; S836-V838 VanDerWaalsContact C-N 3.26Å; S836-V838 PolarHBondContact O-N 2.78Å; V838-M842 HydrophobicContact CB-CE 4.1Å; V838-M842 HydrophobicContact CG1-CE 4.04Å; V838-M842 HydrophobicContact CG2-CE 3.77Å; V838-L843 HydrophobicContact CG1-CD2 3.76Å; V838-L843 HydrophobicContact CG1-CG 3.98Å; V838-R865 PolarHBondContact O-NH1 2.88Å |
| 839 | T | 92.6 | Very high | 91.4 | Very high | 79 Ų | 79 | 90.7 Ų | 90.7 | 49% | 0.485 | 43% | 0.429 | S | S | . | . | | | trans | -113.8 | 160.9 | 172.1 | 62.6 | 0 | 0 | 0 | 0 | 110.3 | N841 M842 L843 | T839-N841 VanDerWaalsContact C-N 3.29Å; T839-N841 PolarHBondContact O-N 2.93Å; T839-M842 PolarHBondContact O-N 3.01Å; T839-M842 VanDerWaalsContact O-N 3.08Å; T839-M842 PolarHBondContact OG1-N 2.85Å; T839-L843 PolarHBondContact O-N 3.23Å; T839-L843 VanDerWaalsContact O-N 3.08Å |
| 840 | E | 92.8 | Very high | 90.7 | Very high | 75 Ų | 75 | 94.1 Ų | 94.1 | 35% | 0.35 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -55.8 | -43.5 | 175.1 | -169.6 | -153.4 | 110.6 | 0 | 0 | 112.3 | M842 L843 R844 C856 V858 | E840-M842 VanDerWaalsContact C-N 3.28Å; E840-M842 PolarHBondContact O-N 2.75Å; E840-L843 WeakPolarHBondContact O-CA 3.44Å; E840-L843 WeakPolarHBondContact O-CB 3.3Å; E840-L843 PolarHBondContact O-N 2.82Å; E840-R844 WeakPolarHBondContact O-CB 3.32Å; E840-R844 PolarHBondContact O-N 2.8Å; E840-R844 IonicContact OE1-CZ 3.82Å; E840-R844 IonicContact OE1-NE 2.57Å; E840-R844 IonicContact OE1-NH2 3.7Å; E840-R844 PolarHBondContact OE1-NH2 3.37Å; E840-C856 VanDerWaalsContact CG-C 3.49Å; E840-C856 HydrophobicContact CG-CB 3.67Å; E840-C856 WeakPolarHBondContact CG-O 3.48Å; E840-V858 HydrophobicContact CB-CG2 4.37Å |
| 841 | N | 92 | Very high | 89.9 | Confident | 85 Ų | 85 | 87.6 Ų | 87.6 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -60.1 | -37.5 | 176.8 | -165.7 | -35.8 | 0 | 0 | 0 | 111.5 | T839 R844 R845 | T839-N841 VanDerWaalsContact C-N 3.29Å; T839-N841 PolarHBondContact O-N 2.93Å; N841-R844 PolarHBondContact O-N 2.92Å; N841-R845 WeakPolarHBondContact O-CB 3.28Å; N841-R845 WeakPolarHBondContact O-CG 3.38Å; N841-R845 PolarHBondContact O-N 3.38Å; N841-R845 PolarHBondContact OD1-NE 2.96Å |
| 842 | M | 93.1 | Very high | 88.9 | Confident | 54 Ų | 54 | 89.1 Ų | 89.1 | 27% | 0.266 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -71.5 | -30.3 | 174.9 | -165.9 | 175.1 | 74 | 0 | 0 | 113 | V838 T839 E840 R846 | V838-M842 HydrophobicContact CB-CE 4.1Å; V838-M842 HydrophobicContact CG1-CE 4.04Å; V838-M842 HydrophobicContact CG2-CE 3.77Å; T839-M842 PolarHBondContact O-N 3.01Å; T839-M842 VanDerWaalsContact O-N 3.08Å; T839-M842 PolarHBondContact OG1-N 2.85Å; E840-M842 VanDerWaalsContact C-N 3.28Å; E840-M842 PolarHBondContact O-N 2.75Å; M842-R846 WeakPolarHBondContact O-CB 3.31Å; M842-R846 WeakPolarHBondContact O-CD 3.42Å; M842-R846 WeakPolarHBondContact O-CG 3.17Å; M842-R846 PolarHBondContact O-N 3.41Å |
| 843 | L | 92.7 | Very high | 88 | Confident | 6 Ų | 6 | 83.6 Ų | 83.6 | 3% | 0.031 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.6 | -53 | 167.2 | -62.8 | -179.1 | 0 | 0 | 0 | 110.1 | I831 L834 V838 T839 E840 R845 R846 F847 C856 V858 I869 | I831-L843 HydrophobicContact CD1-CD2 4.41Å; L834-L843 HydrophobicContact CD1-CD1 4.02Å; L834-L843 HydrophobicContact CD1-CD2 4.41Å; L834-L843 HydrophobicContact CD2-CD2 4.41Å; V838-L843 HydrophobicContact CG1-CD2 3.76Å; V838-L843 HydrophobicContact CG1-CG 3.98Å; T839-L843 PolarHBondContact O-N 3.23Å; T839-L843 VanDerWaalsContact O-N 3.08Å; E840-L843 WeakPolarHBondContact O-CA 3.44Å; E840-L843 WeakPolarHBondContact O-CB 3.3Å; E840-L843 PolarHBondContact O-N 2.82Å; L843-R845 PolarHBondContact O-N 2.6Å; L843-R846 PolarHBondContact O-N 2.69Å; L843-F847 WeakPolarHBondContact O-CD2 3.36Å; L843-F847 PolarHBondContact O-N 3.06Å; L843-C856 HydrophobicContact CB-CB 4.37Å; L843-V858 HydrophobicContact CD1-CG2 3.73Å; L843-I869 HydrophobicContact CB-CD1 4.4Å; L843-I869 HydrophobicContact CB-CG1 4.41Å; L843-I869 HydrophobicContact CD1-CD1 4.38Å; L843-I869 HydrophobicContact CD1-CG1 4.29Å; L843-I869 HydrophobicContact CD2-CD1 4.45Å |
| 844 | R | 90.8 | Very high | 86.8 | Confident | 87 Ų | 87 | 82.6 Ų | 82.6 | 33% | 0.328 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -50.1 | -51.9 | 179.3 | -162.3 | -177.6 | -67.8 | -109.3 | 0.3 | 111.7 | E840 N841 R846 F847 Q848 E854 C856 | E840-R844 WeakPolarHBondContact O-CB 3.32Å; E840-R844 PolarHBondContact O-N 2.8Å; E840-R844 IonicContact OE1-CZ 3.82Å; E840-R844 IonicContact OE1-NE 2.57Å; E840-R844 IonicContact OE1-NH2 3.7Å; E840-R844 PolarHBondContact OE1-NH2 3.37Å; N841-R844 PolarHBondContact O-N 2.92Å; R844-R846 PolarHBondContact O-N 2.87Å; R844-F847 PolarHBondContact O-N 3.47Å; R844-Q848 WeakPolarHBondContact O-CB 3.15Å; R844-Q848 PolarHBondContact O-N 3.11Å; R844-E854 PolarHBondContact NH1-O 3.16Å; R844-E854 PolarHBondContact NH2-O 3.4Å; R844-C856 WeakPolarHBondContact CA-SG 3.49Å; R844-C856 HydrophobicContact CB-CB 4.24Å; R844-C856 PolarHBondContact N-SG 3.34Å |
| 845 | R | 90.4 | Very high | 86.1 | Confident | 187 Ų | 187 | 85 Ų | 85 | 71% | 0.706 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.1 | -39.1 | 176.3 | -71.6 | 177.7 | -174.5 | -138.7 | -3.5 | 114.1 | N841 L843 | N841-R845 WeakPolarHBondContact O-CB 3.28Å; N841-R845 WeakPolarHBondContact O-CG 3.38Å; N841-R845 PolarHBondContact O-N 3.38Å; N841-R845 PolarHBondContact OD1-NE 2.96Å; L843-R845 PolarHBondContact O-N 2.6Å |
| 846 | R | 90.1 | Very high | 85.9 | Confident | 159 Ų | 159 | 81.8 Ų | 81.8 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -74.6 | -33.6 | 180 | -74 | 173.5 | -179.1 | -141 | -2.8 | 112.7 | M842 L843 R844 | M842-R846 WeakPolarHBondContact O-CB 3.31Å; M842-R846 WeakPolarHBondContact O-CD 3.42Å; M842-R846 WeakPolarHBondContact O-CG 3.17Å; M842-R846 PolarHBondContact O-N 3.41Å; L843-R846 PolarHBondContact O-N 2.69Å; R844-R846 PolarHBondContact O-N 2.87Å |
| 847 | F | 89.1 | Confident | 86 | Confident | 43 Ų | 43 | 81.7 Ų | 81.7 | 19% | 0.189 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -94.4 | -10.5 | -176.5 | -75.8 | -85.5 | 0 | 0 | 0 | 114.2 | I831 L843 R844 V849 F850 A853 I869 I871 | I831-F847 HydrophobicContact CD1-CE2 3.66Å; I831-F847 HydrophobicContact CD1-CZ 3.6Å; L843-F847 WeakPolarHBondContact O-CD2 3.36Å; L843-F847 PolarHBondContact O-N 3.06Å; R844-F847 PolarHBondContact O-N 3.47Å; F847-V849 PolarHBondContact O-N 2.92Å; F847-V849 VanDerWaalsContact O-N 3.1Å; F847-F850 AromaticContact CD1-CD2 3.97Å; F847-F850 HydrophobicContact CD1-CD2 3.97Å; F847-F850 HydrophobicContact CD1-CE2 4.43Å; F847-F850 PolarHBondContact O-N 3.12Å; F847-A853 HydrophobicContact CB-CB 4.01Å; F847-I869 HydrophobicContact CB-CG2 4.09Å; F847-I869 HydrophobicContact CD1-CD1 4.29Å; F847-I869 HydrophobicContact CD2-CD1 3.47Å; F847-I869 VanDerWaalsContact CD2-CD1 3.47Å; F847-I869 HydrophobicContact CD2-CG1 4.5Å; F847-I869 HydrophobicContact CE1-CD1 4.31Å; F847-I869 HydrophobicContact CE2-CD1 3.5Å; F847-I869 HydrophobicContact CG-CD1 3.89Å; F847-I869 HydrophobicContact CG-CG2 4.23Å; F847-I869 HydrophobicContact CZ-CD1 3.95Å; F847-I871 HydrophobicContact CB-CD1 4.09Å; F847-I871 HydrophobicContact CD1-CD1 4.01Å; F847-I871 HydrophobicContact CG-CD1 4.5Å |
| 848 | Q | 87.1 | Confident | 86.1 | Confident | 98 Ų | 98 | 74 Ų | 74 | 46% | 0.458 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -52.8 | -27.5 | 171.1 | -168.8 | 64.4 | 71.8 | 0 | 0 | 113.9 | R844 F850 G851 | R844-Q848 WeakPolarHBondContact O-CB 3.15Å; R844-Q848 PolarHBondContact O-N 3.11Å; Q848-F850 VanDerWaalsContact C-N 3.27Å; Q848-F850 PolarHBondContact O-N 2.91Å; Q848-G851 CarbonylContact C-O 3.53Å; Q848-G851 WeakPolarHBondContact CA-O 3.49Å; Q848-G851 PolarHBondContact NE2-O 3.24Å; Q848-G851 PolarHBondContact O-N 2.8Å; Q848-G851 VanDerWaalsContact O-O 3.12Å |
| 849 | V | 80 | Confident | 86 | Confident | 124 Ų | 124 | 76.9 Ų | 76.9 | 75% | 0.752 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -69.4 | -24.7 | 177.7 | -176 | 0 | 0 | 0 | 0 | 112.2 | F847 | F847-V849 PolarHBondContact O-N 2.92Å; F847-V849 VanDerWaalsContact O-N 3.1Å |
| 850 | F | 76.4 | Confident | 86 | Confident | 141 Ų | 141 | 79.4 Ų | 79.4 | 62% | 0.618 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -95.1 | 3.1 | -178.9 | -60.4 | -81.4 | 0 | 0 | 0 | 113.4 | F847 Q848 I871 | F847-F850 AromaticContact CD1-CD2 3.97Å; F847-F850 HydrophobicContact CD1-CD2 3.97Å; F847-F850 HydrophobicContact CD1-CE2 4.43Å; F847-F850 PolarHBondContact O-N 3.12Å; Q848-F850 VanDerWaalsContact C-N 3.27Å; Q848-F850 PolarHBondContact O-N 2.91Å; F850-I871 HydrophobicContact CB-CD1 3.91Å |
| 851 | G | 76.9 | Confident | 85.7 | Confident | 16 Ų | 16 | 78.3 Ų | 78.3 | 17% | 0.165 | 38% | 0.377 | C | S | . | . | S | Bend | trans | 132.5 | -168.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q848 A853 | Q848-G851 CarbonylContact C-O 3.53Å; Q848-G851 WeakPolarHBondContact CA-O 3.49Å; Q848-G851 PolarHBondContact NE2-O 3.24Å; Q848-G851 PolarHBondContact O-N 2.8Å; Q848-G851 VanDerWaalsContact O-O 3.12Å; G851-A853 PolarHBondContact O-N 3.44Å |
| 852 | N | 72.1 | Confident | 85.3 | Confident | 84 Ų | 84 | 81.3 Ų | 81.3 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 92.1 | 179.7 | -79.7 | 4.3 | 0 | 0 | 0 | 110.5 | E854 R872 | N852-E854 HydrophobicContact CB-CG 4.12Å; N852-E854 WeakPolarHBondContact CB-OE1 3.15Å; N852-E854 PolarHBondContact ND2-OE1 3.08Å; N852-E854 PolarHBondContact O-N 2.79Å; N852-R872 HydrophobicContact CB-CB 4.31Å; N852-R872 PolarHBondContact N-O 3.29Å; N852-R872 PolarHBondContact O-N 3.05Å |
| 853 | A | 75.4 | Confident | 85.1 | Confident | 1 Ų | 1 | 88.1 Ų | 88.1 | 1% | 0.008 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 55.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F847 G851 D855 I869 I871 | F847-A853 HydrophobicContact CB-CB 4.01Å; G851-A853 PolarHBondContact O-N 3.44Å; A853-D855 VanDerWaalsContact C-N 3.29Å; A853-D855 PolarHBondContact O-N 3.18Å; A853-I869 HydrophobicContact CB-CG2 4.31Å; A853-I871 HydrophobicContact CB-CG1 4.29Å |
| 854 | E | 68.1 | Low | 85.1 | Confident | 86 Ų | 86 | 91.1 Ų | 91.1 | 40% | 0.402 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | -36.8 | -174.6 | -76.4 | 163.8 | -149.2 | 0 | 0 | 112.4 | R844 N852 R872 | R844-E854 PolarHBondContact NH1-O 3.16Å; R844-E854 PolarHBondContact NH2-O 3.4Å; N852-E854 HydrophobicContact CB-CG 4.12Å; N852-E854 WeakPolarHBondContact CB-OE1 3.15Å; N852-E854 PolarHBondContact ND2-OE1 3.08Å; N852-E854 PolarHBondContact O-N 2.79Å; E854-R872 WeakPolarHBondContact OE1-CD 3.48Å; E854-R872 IonicContact OE1-NE 3.95Å; E854-R872 VanDerWaalsContact OE2-CD 3.3Å; E854-R872 WeakPolarHBondContact OE2-CD 3.3Å; E854-R872 IonicContact OE2-CZ 3.66Å; E854-R872 IonicContact OE2-NE 2.73Å; E854-R872 PolarHBondContact OE2-NE 3.29Å |
| 855 | D | 79.8 | Confident | 85.2 | Confident | 67 Ų | 67 | 90.7 Ų | 90.7 | 36% | 0.358 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 69.4 | -176.1 | -111 | -25.7 | 0 | 0 | 0 | 111.2 | A853 K857 K870 | A853-D855 VanDerWaalsContact C-N 3.29Å; A853-D855 PolarHBondContact O-N 3.18Å; D855-K857 VanDerWaalsContact CG-NZ 3.32Å; D855-K857 IonicContact OD1-NZ 2.76Å; D855-K857 PolarHBondContact OD1-NZ 2.8Å; D855-K857 IonicContact OD2-NZ 2.73Å; D855-K870 HydrophobicContact CB-CB 3.7Å; D855-K870 HydrophobicContact CB-CD 4.31Å; D855-K870 HydrophobicContact CB-CG 4.45Å; D855-K870 PolarHBondContact O-N 2.84Å |
| 856 | C | 89.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.007 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 138.8 | 159.7 | -71.3 | 0 | 0 | 0 | 0 | 109.7 | E840 L843 R844 V868 | E840-C856 VanDerWaalsContact CG-C 3.49Å; E840-C856 HydrophobicContact CG-CB 3.67Å; E840-C856 WeakPolarHBondContact CG-O 3.48Å; L843-C856 HydrophobicContact CB-CB 4.37Å; R844-C856 WeakPolarHBondContact CA-SG 3.49Å; R844-C856 HydrophobicContact CB-CB 4.24Å; R844-C856 PolarHBondContact N-SG 3.34Å; C856-V868 CarbonylContact C-O 3.57Å; C856-V868 WeakPolarHBondContact CA-O 3.14Å |
| 857 | K | 91.4 | Very high | 85.7 | Confident | 101 Ų | 101 | 74.4 Ų | 74.4 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 143.9 | 170.8 | -62.1 | -168.9 | 175.1 | 84.2 | 0 | 110.1 | D855 G867 V868 | D855-K857 VanDerWaalsContact CG-NZ 3.32Å; D855-K857 IonicContact OD1-NZ 2.76Å; D855-K857 PolarHBondContact OD1-NZ 2.8Å; D855-K857 IonicContact OD2-NZ 2.73Å; K857-G867 WeakPolarHBondContact O-CA 3.45Å; K857-V868 PolarHBondContact N-O 3.39Å; K857-V868 PolarHBondContact O-N 2.84Å |
| 858 | V | 93.3 | Very high | 85.9 | Confident | 47 Ų | 47 | 73.7 Ų | 73.7 | 29% | 0.285 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 115.3 | 169.4 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | L834 E840 L843 | L834-V858 HydrophobicContact CD1-CG1 4.28Å; L834-V858 HydrophobicContact CD1-CG2 4.17Å; E840-V858 HydrophobicContact CB-CG2 4.37Å; L843-V858 HydrophobicContact CD1-CG2 3.73Å |
| 859 | I | 91.9 | Very high | 86.2 | Confident | 73 Ų | 73 | 69 Ų | 69 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 162.5 | 179 | 65 | 174.9 | 0 | 0 | 0 | 110.2 | R865 C866 V868 | I859-R865 WeakPolarHBondContact O-CA 3.5Å; I859-C866 HydrophobicContact CD1-CB 4.45Å; I859-C866 HydrophobicContact CG1-CB 3.92Å; I859-C866 WeakPolarHBondContact CG1-O 3.37Å; I859-C866 PolarHBondContact N-O 3.45Å; I859-C866 PolarHBondContact O-N 2.74Å; I859-V868 HydrophobicContact CD1-CG2 3.76Å; I859-V868 HydrophobicContact CG1-CG2 4.15Å |
| 860 | I | 91.9 | Very high | 86.7 | Confident | 132 Ų | 132 | 65.4 Ų | 65.4 | 68% | 0.677 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.7 | 167.7 | -59.4 | 176 | 0 | 0 | 0 | 107 | E864 R865 | I860-E864 CarbonylContact C-O 3.58Å; I860-E864 VanDerWaalsContact CA-O 3.31Å; I860-E864 WeakPolarHBondContact CA-O 3.45Å; I860-R865 HydrophobicContact CG1-CG 4.38Å |
| 861 | C | 86.8 | Confident | 87.3 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 126.6 | -176.2 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | E863 E864 | C861-E863 VanDerWaalsContact C-N 3.3Å; C861-E863 PolarHBondContact O-N 2.85Å; C861-E864 PolarHBondContact N-O 2.84Å; C861-E864 PolarHBondContact O-N 2.95Å; C861-E864 VanDerWaalsContact O-N 3.12Å; C861-E864 VanDerWaalsContact O-O 3.13Å |
| 862 | N | 83.6 | Confident | 87.6 | Confident | 148 Ų | 148 | 61.1 Ų | 61.1 | 79% | 0.791 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 45.2 | -176.6 | -52.5 | -28.2 | 0 | 0 | 0 | 113.1 | E864 | N862-E864 PolarHBondContact O-N 2.89Š|
| 863 | E | 89.4 | Confident | 87.5 | Confident | 197 Ų | 197 | 62.2 Ų | 62.2 | 92% | 0.921 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | -18.1 | -174.6 | -52.5 | -177.2 | 172.4 | 0 | 0 | 115.5 | C861 | C861-E863 VanDerWaalsContact C-N 3.3Å; C861-E863 PolarHBondContact O-N 2.85Å |
| 864 | E | 92.1 | Very high | 86.8 | Confident | 68 Ų | 68 | 67.3 Ų | 67.3 | 32% | 0.318 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 152.4 | 172.3 | -59.2 | -172.9 | 169 | 0 | 0 | 112.7 | H832 N833 I860 C861 N862 | H832-E864 IonicContact ND1-OE2 3.85Å; N833-E864 VanDerWaalsContact CG-CD 3.5Å; N833-E864 PolarHBondContact ND2-OE1 2.83Å; N833-E864 PolarHBondContact ND2-OE2 2.57Å; N833-E864 PolarHBondContact OD1-OE1 2.87Å; I860-E864 CarbonylContact C-O 3.58Å; I860-E864 VanDerWaalsContact CA-O 3.31Å; I860-E864 WeakPolarHBondContact CA-O 3.45Å; C861-E864 PolarHBondContact N-O 2.84Å; C861-E864 PolarHBondContact O-N 2.95Å; C861-E864 VanDerWaalsContact O-N 3.12Å; C861-E864 VanDerWaalsContact O-O 3.13Å; N862-E864 PolarHBondContact O-N 2.89Å |
| 865 | R | 94.6 | Very high | 86 | Confident | 78 Ų | 78 | 65.8 Ų | 65.8 | 29% | 0.294 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 127.9 | 163.4 | -73.6 | 171.1 | 141.6 | -132 | -1.4 | 110.2 | N833 L834 P835 S836 V838 I859 I860 | N833-R865 PolarHBondContact N-O 3.43Å; N833-R865 VanDerWaalsContact N-O 3.08Å; L834-R865 HydrophobicContact CB-CB 3.9Å; L834-R865 PolarHBondContact N-O 3.27Å; L834-R865 WeakPolarHBondContact O-CB 3.12Å; L834-R865 WeakPolarHBondContact O-CD 3.49Å; P835-R865 PolarHBondContact O-NH1 3.4Å; S836-R865 VanDerWaalsContact O-CZ 3.25Å; S836-R865 PolarHBondContact O-NH1 3.15Å; S836-R865 PolarHBondContact O-NH2 2.73Å; V838-R865 PolarHBondContact O-NH1 2.88Å; I859-R865 WeakPolarHBondContact O-CA 3.5Å; I860-R865 HydrophobicContact CG1-CG 4.38Å |
| 866 | C | 94.1 | Very high | 84.5 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 3% | 0.027 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 135.8 | 173.4 | -59.2 | 0 | 0 | 0 | 0 | 111 | I831 H832 I859 | I831-C866 CarbonylContact O-C 3.53Å; I831-C866 VanDerWaalsContact O-CA 3.24Å; I831-C866 WeakPolarHBondContact O-CA 3.49Å; H832-C866 PolarHBondContact ND1-SG 2.83Å; H832-C866 VanDerWaalsContact ND1-SG 3.39Å; I859-C866 HydrophobicContact CD1-CB 4.45Å; I859-C866 HydrophobicContact CG1-CB 3.92Å; I859-C866 WeakPolarHBondContact CG1-O 3.37Å; I859-C866 PolarHBondContact N-O 3.45Å; I859-C866 PolarHBondContact O-N 2.74Å |
| 867 | G | 95.3 | Very high | 82.2 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 131 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | Y830 I831 L834 K857 | Y830-G867 CarbonylContact C-O 3.6Å; Y830-G867 WeakPolarHBondContact CA-O 3.32Å; I831-G867 PolarHBondContact N-O 2.89Å; I831-G867 PolarHBondContact O-N 2.98Å; L834-G867 VanDerWaalsContact CD1-N 3.28Å; K857-G867 WeakPolarHBondContact O-CA 3.45Å |
| 868 | V | 93.8 | Very high | 80 | Confident | 29 Ų | 29 | 81.7 Ų | 81.7 | 18% | 0.176 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 128.4 | 167 | -171.8 | 0 | 0 | 0 | 0 | 107.1 | V828 F829 Y830 C856 K857 I859 | V828-V868 HydrophobicContact CG1-CG1 3.95Å; F829-V868 WeakPolarHBondContact O-CA 3.3Å; Y830-V868 HydrophobicContact CD1-CG1 4.35Å; Y830-V868 HydrophobicContact CD1-CG2 3.88Å; Y830-V868 HydrophobicContact CE1-CB 4.4Å; Y830-V868 HydrophobicContact CE1-CG1 3.86Å; Y830-V868 HydrophobicContact CE1-CG2 3.77Å; C856-V868 CarbonylContact C-O 3.57Å; C856-V868 WeakPolarHBondContact CA-O 3.14Å; K857-V868 PolarHBondContact N-O 3.39Å; K857-V868 PolarHBondContact O-N 2.84Å; I859-V868 HydrophobicContact CD1-CG2 3.76Å; I859-V868 HydrophobicContact CG1-CG2 4.15Å |
| 869 | I | 92.9 | Very high | 77.6 | Confident | 0 Ų | 0 | 87.2 Ų | 87.2 | 0% | 0 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 109.7 | -177.3 | -59.5 | 151.9 | 0 | 0 | 0 | 107.9 | V828 F829 I831 L843 F847 A853 I871 | V828-I869 CarbonylContact C-O 3.56Å; V828-I869 WeakPolarHBondContact CA-O 3.46Å; F829-I869 HydrophobicContact CB-CB 4.4Å; F829-I869 PolarHBondContact N-O 3.37Å; F829-I869 PolarHBondContact O-N 3.11Å; I831-I869 HydrophobicContact CD1-CD1 3.51Å; I831-I869 HydrophobicContact CG1-CD1 4.22Å; L843-I869 HydrophobicContact CB-CD1 4.4Å; L843-I869 HydrophobicContact CB-CG1 4.41Å; L843-I869 HydrophobicContact CD1-CD1 4.38Å; L843-I869 HydrophobicContact CD1-CG1 4.29Å; L843-I869 HydrophobicContact CD2-CD1 4.45Å; F847-I869 HydrophobicContact CB-CG2 4.09Å; F847-I869 HydrophobicContact CD1-CD1 4.29Å; F847-I869 HydrophobicContact CD2-CD1 3.47Å; F847-I869 VanDerWaalsContact CD2-CD1 3.47Å; F847-I869 HydrophobicContact CD2-CG1 4.5Å; F847-I869 HydrophobicContact CE1-CD1 4.31Å; F847-I869 HydrophobicContact CE2-CD1 3.5Å; F847-I869 HydrophobicContact CG-CD1 3.89Å; F847-I869 HydrophobicContact CG-CG2 4.23Å; F847-I869 HydrophobicContact CZ-CD1 3.95Å; A853-I869 HydrophobicContact CB-CG2 4.31Å; I869-I871 HydrophobicContact CG2-CD1 4.09Å; I869-I871 HydrophobicContact CG2-CG1 3.62Å |
| 870 | K | 90.4 | Very high | 75.2 | Confident | 47 Ų | 47 | 95.3 Ų | 95.3 | 20% | 0.204 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 112.3 | 168.8 | -175.6 | 178.9 | 177.2 | 179.5 | 0 | 107.4 | E823 C826 V828 D855 | E823-K870 IonicContact OE1-NZ 2.64Å; C826-K870 HydrophobicContact CB-CD 4.21Å; C826-K870 HydrophobicContact CB-CG 3.83Å; C826-K870 WeakPolarHBondContact SG-CE 3.45Å; V828-K870 HydrophobicContact CG2-CB 4.25Å; V828-K870 HydrophobicContact CG2-CG 4.13Å; D855-K870 HydrophobicContact CB-CB 3.7Å; D855-K870 HydrophobicContact CB-CD 4.31Å; D855-K870 HydrophobicContact CB-CG 4.45Å; D855-K870 PolarHBondContact O-N 2.84Å |
| 871 | I | 89 | Confident | 72.8 | Confident | 2 Ų | 2 | 95.8 Ų | 95.8 | 1% | 0.01 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.7 | 174.5 | -49.2 | -170.6 | 0 | 0 | 0 | 107.7 | C826 Q827 F829 F847 F850 A853 I869 Q873 | C826-I871 CarbonylContact C-O 3.53Å; C826-I871 WeakPolarHBondContact CA-O 3.42Å; Q827-I871 PolarHBondContact N-O 2.83Å; Q827-I871 PolarHBondContact O-N 3.32Å; F829-I871 HydrophobicContact CD2-CD1 4.02Å; F829-I871 HydrophobicContact CD2-CG1 4.09Å; F829-I871 HydrophobicContact CE2-CB 4.45Å; F829-I871 HydrophobicContact CE2-CD1 3.67Å; F829-I871 HydrophobicContact CE2-CG1 3.96Å; F847-I871 HydrophobicContact CB-CD1 4.09Å; F847-I871 HydrophobicContact CD1-CD1 4.01Å; F847-I871 HydrophobicContact CG-CD1 4.5Å; F850-I871 HydrophobicContact CB-CD1 3.91Å; A853-I871 HydrophobicContact CB-CG1 4.29Å; I869-I871 HydrophobicContact CG2-CD1 4.09Å; I869-I871 HydrophobicContact CG2-CG1 3.62Å; I871-Q873 PolarHBondContact O-N 2.9Å |
| 872 | R | 84.5 | Confident | 70.3 | Confident | 66 Ų | 66 | 101.7 Ų | 101.7 | 25% | 0.249 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 119.3 | 163.9 | -61.7 | -173.5 | 178.8 | -85.5 | 18.5 | 108 | D822 N852 E854 | D822-R872 PolarHBondContact O-NH1 2.84Å; D822-R872 IonicContact OD1-CZ 3.21Å; D822-R872 IonicContact OD1-NH1 3.59Å; D822-R872 PolarHBondContact OD1-NH1 3.43Å; D822-R872 IonicContact OD1-NH2 3.58Å; D822-R872 IonicContact OD2-CZ 3.43Å; D822-R872 IonicContact OD2-NH1 2.73Å; D822-R872 PolarHBondContact OD2-NH1 3.45Å; D822-R872 IonicContact OD2-NH2 3.97Å; D822-R872 PolarHBondContact OD2-NH2 3.46Å; N852-R872 HydrophobicContact CB-CB 4.31Å; N852-R872 PolarHBondContact N-O 3.29Å; N852-R872 PolarHBondContact O-N 3.05Å; E854-R872 WeakPolarHBondContact OE1-CD 3.48Å; E854-R872 IonicContact OE1-NE 3.95Å; E854-R872 VanDerWaalsContact OE2-CD 3.3Å; E854-R872 WeakPolarHBondContact OE2-CD 3.3Å; E854-R872 IonicContact OE2-CZ 3.66Å; E854-R872 IonicContact OE2-NE 2.73Å; E854-R872 PolarHBondContact OE2-NE 3.29Å |
| 873 | Q | 69.4 | Low | 68.4 | Low | 106 Ų | 106 | 106.9 Ų | 106.9 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -72.3 | 129.8 | 163.7 | -65.1 | -161.8 | 8.5 | 0 | 0 | 107.6 | N825 I871 G875 | N825-Q873 PolarHBondContact O-N 3.36Å; N825-Q873 VanDerWaalsContact O-N 3.15Å; I871-Q873 PolarHBondContact O-N 2.9Å; Q873-G875 PolarHBondContact O-N 3.24Å |
| 874 | P | 59.9 | Low | 66 | Low | 109 Ų | 109 | 105 Ų | 105 | 71% | 0.708 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 132.9 | 169.6 | 26.7 | -32.7 | 0 | 0 | 0 | 108.4 | | |
| 875 | G | 53 | Low | 63.5 | Low | 53 Ų | 53 | 107.5 Ų | 107.5 | 55% | 0.546 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 150.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q873 Q877 | Q873-G875 PolarHBondContact O-N 3.24Å; G875-Q877 PolarHBondContact O-N 2.97Å |
| 876 | P | 46.7 | Very low | 61 | Low | 116 Ų | 116 | 109.7 Ų | 109.7 | 75% | 0.753 | 52% | 0.522 | S | S | * | . | | | trans | -66.7 | 94.6 | -163.4 | 26.1 | -35.9 | 0 | 0 | 0 | 113.2 | R878 | P876-R878 PolarHBondContact O-N 3.19Š|
| 877 | Q | 41.6 | Very low | 58.4 | Low | 158 Ų | 158 | 118.9 Ų | 118.9 | 74% | 0.738 | 56% | 0.562 | S | S | * | * | | | trans | -61.5 | 121.4 | 164 | -167.3 | -175.7 | -11.9 | 0 | 0 | 108.4 | G875 H879 | G875-Q877 PolarHBondContact O-N 2.97Å; Q877-H879 PolarHBondContact O-N 3.34Å |
| 878 | R | 46.7 | Very low | 56 | Low | 229 Ų | 229 | 127.4 Ų | 127.4 | 86% | 0.864 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -76.8 | 53.1 | -166.4 | -69 | -169.3 | 175.7 | -159.2 | 3.3 | 114.7 | P876 | P876-R878 PolarHBondContact O-N 3.19Š|
| 879 | H | 41.3 | Very low | 53.2 | Low | 163 Ų | 163 | 134.4 Ų | 134.4 | 76% | 0.755 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -125.7 | 17.3 | 172.6 | -53.7 | -63.5 | 0 | 0 | 0 | 113.4 | Q877 | Q877-H879 PolarHBondContact O-N 3.34Š|
| 880 | R | 42.5 | Very low | 50.5 | Low | 244 Ų | 244 | 139 Ų | 139 | 92% | 0.921 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -145.2 | 34.6 | 173.4 | -153.9 | -178.1 | 178.4 | 170.5 | 1.7 | 113.4 | | |
| 881 | K | 42.3 | Very low | 48.1 | Very low | 142 Ų | 142 | 142.4 Ų | 142.4 | 62% | 0.617 | 70% | 0.703 | S | S | * | * | | | trans | -143.3 | 46.2 | 179.4 | -153.8 | 178.8 | -177.7 | 176.3 | 0 | 114 | I885 | K881-I885 WeakPolarHBondContact O-CD1 3.18Š|
| 882 | E | 34.1 | Very low | 46 | Very low | 176 Ų | 176 | 149 Ų | 149 | 82% | 0.822 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -105.7 | -40.9 | 177.1 | -173.2 | 167.8 | -155 | 0 | 0 | 111.4 | E884 | E882-E884 PolarHBondContact O-N 3.14Š|
| 883 | R | 42.5 | Very low | 43.7 | Very low | 258 Ų | 258 | 149.2 Ų | 149.2 | 97% | 0.974 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 17.9 | 179.6 | -106.3 | -176.6 | -84.9 | -164.3 | -6.5 | 115.9 | | |
| 884 | E | 39.2 | Very low | 42.4 | Very low | 158 Ų | 158 | 152 Ų | 152 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.5 | 36.3 | -175.1 | -153.6 | -179.3 | -141.3 | 0 | 0 | 113.8 | E882 | E882-E884 PolarHBondContact O-N 3.14Š|
| 885 | I | 39.5 | Very low | 41.8 | Very low | 120 Ų | 120 | 157.3 Ų | 157.3 | 62% | 0.615 | 79% | 0.792 | S | S | * | * | | | trans | -115.5 | -16.9 | 179.4 | -66 | -178.4 | 0 | 0 | 0 | 113.4 | K881 F887 | K881-I885 WeakPolarHBondContact O-CD1 3.18Å; I885-F887 VanDerWaalsContact C-N 3.28Å; I885-F887 PolarHBondContact O-N 2.94Å; I885-F887 VanDerWaalsContact O-N 3.15Å |
| 886 | V | 43.4 | Very low | 41.4 | Very low | 124 Ų | 124 | 165.4 Ų | 165.4 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -11.1 | -170 | -178.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 887 | F | 39.4 | Very low | 41.5 | Very low | 196 Ų | 196 | 167.6 Ų | 167.6 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 56.2 | -176.5 | -75 | -74.5 | 0 | 0 | 0 | 115.1 | I885 | I885-F887 VanDerWaalsContact C-N 3.28Å; I885-F887 PolarHBondContact O-N 2.94Å; I885-F887 VanDerWaalsContact O-N 3.15Å |
| 888 | Q | 44 | Very low | 41.4 | Very low | 179 Ų | 179 | 166.2 Ų | 166.2 | 84% | 0.836 | 81% | 0.813 | S | S | * | * | | | trans | -135.1 | 85.1 | 156.5 | -75.4 | -165.1 | 51.4 | 0 | 0 | 112 | | |
| 889 | N | 35.8 | Very low | 41.5 | Very low | 176 Ų | 176 | 167 Ų | 167 | 94% | 0.941 | 82% | 0.816 | S | S | * | * | | | trans | -146.5 | 74.5 | 165.5 | -90.9 | -43.4 | 0 | 0 | 0 | 110.1 | | |
| 890 | A | 34.7 | Very low | 41.8 | Very low | 96 Ų | 96 | 166.3 Ų | 166.3 | 79% | 0.793 | 81% | 0.811 | S | S | * | * | | | trans | -152.8 | 146 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 891 | P | 40.2 | Very low | 42.2 | Very low | 120 Ų | 120 | 163.6 Ų | 163.6 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -78.1 | 162.2 | -167.2 | 30.3 | -36.1 | 0 | 0 | 0 | 115 | G893 | P891-G893 PolarHBondContact O-N 3.14Å; P891-G893 VanDerWaalsContact O-N 3.1Å |
| 892 | P | 46.1 | Very low | 42.4 | Very low | 141 Ų | 141 | 167.4 Ų | 167.4 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | | | trans | -73.3 | 101.5 | -168.6 | 28.2 | -35.8 | 0 | 0 | 0 | 114.4 | | |
| 893 | G | 35.9 | Very low | 43.6 | Very low | 70 Ų | 70 | 165 Ų | 165 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 137 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | P891 R895 | P891-G893 PolarHBondContact O-N 3.14Å; P891-G893 VanDerWaalsContact O-N 3.1Å; G893-R895 PolarHBondContact O-N 3.31Å |
| 894 | L | 40.8 | Very low | 44.1 | Very low | 165 Ų | 165 | 157 Ų | 157 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59 | 125.5 | -173.9 | -169.2 | 72.8 | 0 | 0 | 0 | 114.1 | R896 | L894-R896 PolarHBondContact O-N 2.97Š|
| 895 | R | 48.4 | Very low | 44.9 | Very low | 219 Ų | 219 | 155.9 Ų | 155.9 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 127 | 177.9 | -69.1 | -163.8 | -73.1 | -173.9 | -5.5 | 112.8 | G893 | G893-R895 PolarHBondContact O-N 3.31Š|
| 896 | R | 43.6 | Very low | 45.7 | Very low | 224 Ų | 224 | 158.2 Ų | 158.2 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -119.8 | 119.8 | 153.5 | -70.7 | -169.5 | -179.8 | -136.3 | 1.1 | 109.4 | L894 T898 | L894-R896 PolarHBondContact O-N 2.97Å; R896-T898 PolarHBondContact O-N 2.82Å |
| 897 | L | 49.7 | Very low | 46.1 | Very low | 162 Ų | 162 | 161 Ų | 161 | 85% | 0.848 | 80% | 0.798 | S | S | * | * | | | trans | -82.2 | 93.2 | -179.7 | -71.6 | 105.5 | 0 | 0 | 0 | 111.6 | | |
| 898 | T | 40.3 | Very low | 46.6 | Very low | 128 Ų | 128 | 155.9 Ų | 155.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | | | trans | -94.2 | 129.8 | 156.2 | 45.7 | 0 | 0 | 0 | 0 | 109.4 | R896 K900 | R896-T898 PolarHBondContact O-N 2.82Å; T898-K900 PolarHBondContact O-N 3.15Å |
| 899 | R | 48.9 | Very low | 47.1 | Very low | 245 Ų | 245 | 150.3 Ų | 150.3 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | | | trans | -78.5 | 83.8 | -172.7 | -172.8 | -179.8 | -178.1 | 179.2 | 1.8 | 110.8 | | |
| 900 | K | 46.4 | Very low | 48 | Very low | 150 Ų | 150 | 148.6 Ų | 148.6 | 65% | 0.652 | 78% | 0.781 | S | S | * | * | | | trans | -52.6 | 138.9 | 173.4 | -152.7 | -177.1 | -171.1 | -159 | 0 | 109.8 | T898 D904 | T898-K900 PolarHBondContact O-N 3.15Å; K900-D904 WeakPolarHBondContact CE-OD2 3.49Å; K900-D904 WeakPolarHBondContact CG-OD2 3.06Å |
| 901 | R | 50.1 | Low | 49.1 | Very low | 186 Ų | 186 | 146.5 Ų | 146.5 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | | | trans | -101.5 | 151.7 | -177.4 | -66.7 | -173.8 | -64.7 | 175.5 | 1 | 110.1 | I903 | R901-I903 PolarHBondContact O-N 3.35Š|
| 902 | Y | 48.2 | Very low | 50.1 | Low | 222 Ų | 222 | 146.9 Ų | 146.9 | 87% | 0.871 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 49.1 | -179.9 | -84 | -92.4 | 0 | 0 | 0 | 113.3 | L905 | Y902-L905 HydrophobicContact CD1-CD1 4.34Š|
| 903 | I | 58.7 | Low | 50.6 | Low | 126 Ų | 126 | 147.1 Ų | 147.1 | 65% | 0.646 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124 | -32.7 | 175.5 | -65.1 | 176.4 | 0 | 0 | 0 | 109.5 | R901 L905 | R901-I903 PolarHBondContact O-N 3.35Å; I903-L905 PolarHBondContact O-N 2.81Å |
| 904 | D | 53.3 | Low | 51.9 | Low | 90 Ų | 90 | 152 Ų | 152 | 48% | 0.481 | 77% | 0.771 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.5 | 43.1 | -176.3 | -24.9 | -33.5 | 0 | 0 | 0 | 112.6 | K900 | K900-D904 WeakPolarHBondContact CE-OD2 3.49Å; K900-D904 WeakPolarHBondContact CG-OD2 3.06Å |
| 905 | L | 54.8 | Low | 53.4 | Low | 134 Ų | 134 | 146.7 Ų | 146.7 | 70% | 0.702 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.5 | -3.3 | -177.2 | -79.9 | 175.5 | 0 | 0 | 0 | 114.7 | Y902 I903 E907 | Y902-L905 HydrophobicContact CD1-CD1 4.34Å; I903-L905 PolarHBondContact O-N 2.81Å; L905-E907 VanDerWaalsContact C-N 3.33Å |
| 906 | D | 56.4 | Low | 54.7 | Low | 169 Ų | 169 | 142.1 Ų | 142.1 | 90% | 0.904 | 73% | 0.734 | S | S | * | * | | | trans | -94.2 | 16.1 | -176.5 | -124 | 15 | 0 | 0 | 0 | 112.9 | | |
| 907 | E | 52.7 | Low | 56.4 | Low | 183 Ų | 183 | 136.6 Ų | 136.6 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -105.9 | 101.5 | -175.7 | -161.6 | 161.5 | -135 | 0 | 0 | 112 | L905 | L905-E907 VanDerWaalsContact C-N 3.33Š|
| 908 | A | 50.4 | Low | 57.9 | Low | 89 Ų | 89 | 134.3 Ų | 134.3 | 74% | 0.736 | 70% | 0.702 | S | S | * | * | | | trans | 39.8 | 88.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 909 | G | 53.5 | Low | 60 | Low | 62 Ų | 62 | 132.7 Ų | 132.7 | 64% | 0.639 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -59.9 | 152 | 135.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | G911 | G909-G911 PolarHBondContact O-N 3.19Š|
| 910 | P | 55.9 | Low | 62 | Low | 140 Ų | 140 | 123.9 Ų | 123.9 | 91% | 0.909 | 67% | 0.673 | S | S | * | * | | | trans | -57.1 | 107.4 | -178.6 | -24.5 | 34.4 | 0 | 0 | 0 | 110.9 | | |
| 911 | G | 56.9 | Low | 64 | Low | 51 Ų | 51 | 121.3 Ų | 121.3 | 53% | 0.526 | 67% | 0.666 | S | S | . | * | | | trans | -64.5 | 160.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G909 V913 | G909-G911 PolarHBondContact O-N 3.19Å; G911-V913 PolarHBondContact O-N 2.64Å |
| 912 | P | 60.7 | Low | 66 | Low | 128 Ų | 128 | 119.9 Ų | 119.9 | 83% | 0.831 | 67% | 0.665 | S | S | * | * | | | trans | -48 | 128.5 | 169.5 | -25.2 | 34.1 | 0 | 0 | 0 | 109.2 | K914 | P912-K914 VanDerWaalsContact C-N 3.34Å; P912-K914 PolarHBondContact O-N 3.13Å |
| 913 | V | 56.1 | Low | 68.2 | Low | 147 Ų | 147 | 113.4 Ų | 113.4 | 89% | 0.891 | 65% | 0.646 | S | S | * | * | | | trans | -62.5 | 100.2 | -177.1 | -180 | 0 | 0 | 0 | 0 | 107.2 | G911 S915 | G911-V913 PolarHBondContact O-N 2.64Å; V913-S915 PolarHBondContact O-N 3.17Å |
| 914 | K | 63.7 | Low | 69.8 | Low | 172 Ų | 172 | 110.1 Ų | 110.1 | 75% | 0.748 | 63% | 0.632 | S | S | * | * | | | trans | -53.8 | 129.6 | -178 | -69 | -174.9 | 179.6 | -178.7 | 0 | 108.2 | P912 D918 | P912-K914 VanDerWaalsContact C-N 3.34Å; P912-K914 PolarHBondContact O-N 3.13Å; K914-D918 WeakPolarHBondContact CA-OD2 3.31Å; K914-D918 HydrophobicContact CB-CB 4.31Å |
| 915 | S | 72.8 | Confident | 71.8 | Confident | 54 Ų | 54 | 108.9 Ų | 108.9 | 38% | 0.378 | 63% | 0.625 | S | S | . | * | | | trans | -57.8 | 146.2 | -179.1 | -172 | 0 | 0 | 0 | 0 | 108.9 | V913 Y917 D918 | V913-S915 PolarHBondContact O-N 3.17Å; S915-Y917 PolarHBondContact O-N 3.39Å; S915-Y917 VanDerWaalsContact OG-CD2 3.3Å; S915-Y917 WeakPolarHBondContact OG-CD2 3.44Å; S915-D918 PolarHBondContact N-OD2 2.84Å; S915-D918 WeakPolarHBondContact O-CB 3.44Å; S915-D918 PolarHBondContact O-N 3.45Å |
| 916 | K | 75.6 | Confident | 73.6 | Confident | 123 Ų | 123 | 106.1 Ų | 106.1 | 54% | 0.535 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.5 | -18.6 | 175.8 | 74.2 | 179.8 | -170.3 | 69.6 | 0 | 112.5 | L920 E928 | K916-L920 WeakPolarHBondContact O-CG 3.24Å; K916-E928 IonicContact NZ-OE1 2.83Å; K916-E928 PolarHBondContact NZ-OE1 2.86Å; K916-E928 IonicContact NZ-OE2 2.74Å; K916-E928 PolarHBondContact NZ-OE2 2.8Å |
| 917 | Y | 79.7 | Confident | 75.2 | Confident | 107 Ų | 107 | 103.4 Ų | 103.4 | 42% | 0.42 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -83.1 | -25.6 | 176.3 | -55.6 | -60.7 | 0 | 0 | 0 | 114.1 | S915 A919 L920 L925 E928 | S915-Y917 PolarHBondContact O-N 3.39Å; S915-Y917 VanDerWaalsContact OG-CD2 3.3Å; S915-Y917 WeakPolarHBondContact OG-CD2 3.44Å; Y917-A919 PolarHBondContact O-N 2.96Å; Y917-L920 HydrophobicContact CD1-CD1 4.16Å; Y917-L920 PolarHBondContact O-N 3.07Å; Y917-L925 HydrophobicContact CD1-CD2 4.04Å; Y917-L925 HydrophobicContact CG-CD2 4.35Å; Y917-E928 WeakPolarHBondContact CE1-OE2 3.49Å |
| 918 | D | 80.8 | Confident | 77.1 | Confident | 114 Ų | 114 | 98.1 Ų | 98.1 | 61% | 0.61 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -17.3 | -178 | -68.2 | -30.3 | 0 | 0 | 0 | 113.6 | K914 S915 | K914-D918 WeakPolarHBondContact CA-OD2 3.31Å; K914-D918 HydrophobicContact CB-CB 4.31Å; S915-D918 PolarHBondContact N-OD2 2.84Å; S915-D918 WeakPolarHBondContact O-CB 3.44Å; S915-D918 PolarHBondContact O-N 3.45Å |
| 919 | A | 84.4 | Confident | 79.1 | Confident | 94 Ų | 94 | 96.5 Ų | 96.5 | 78% | 0.777 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 0.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y917 | Y917-A919 PolarHBondContact O-N 2.96Š|
| 920 | L | 90.5 | Very high | 80.8 | Confident | 60 Ų | 60 | 98.6 Ų | 98.6 | 31% | 0.314 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -91.4 | 148 | 178.8 | -61.6 | -179.5 | 0 | 0 | 0 | 110.6 | K916 Y917 T924 L925 | K916-L920 WeakPolarHBondContact O-CG 3.24Å; Y917-L920 HydrophobicContact CD1-CD1 4.16Å; Y917-L920 PolarHBondContact O-N 3.07Å; L920-T924 HydrophobicContact CD1-CG2 4.28Å; L920-T924 HydrophobicContact CD2-CG2 4.08Å; L920-L925 HydrophobicContact CB-CD1 4.43Å; L920-L925 HydrophobicContact CB-CD2 4.24Å; L920-L925 HydrophobicContact CB-CG 3.86Å; L920-L925 HydrophobicContact CD1-CD2 4.17Å |
| 921 | D | 89.9 | Confident | 82.4 | Confident | 96 Ų | 96 | 99.9 Ų | 99.9 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | | | trans | -74.6 | 161 | 168.8 | 64.4 | 6.3 | 0 | 0 | 0 | 111.3 | D923 T924 L925 | D921-D923 PolarHBondContact O-N 3.41Å; D921-T924 PolarHBondContact O-N 3.1Å; D921-T924 VanDerWaalsContact O-N 3.1Å; D921-T924 WeakPolarHBondContact OD1-CB 3.5Å; D921-T924 PolarHBondContact OD1-N 3.11Å; D921-T924 PolarHBondContact OD1-OG1 2.58Å; D921-L925 PolarHBondContact O-N 3.2Å |
| 922 | F | 91.8 | Very high | 83.6 | Confident | 156 Ų | 156 | 101 Ų | 101 | 68% | 0.684 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -54.5 | -37.4 | -180 | -179.5 | -95 | 0 | 0 | 0 | 112 | L925 L926 | F922-L925 PolarHBondContact O-N 3.08Å; F922-L926 HydrophobicContact CE1-CD2 4.18Å; F922-L926 VanDerWaalsContact O-CB 3.24Å; F922-L926 WeakPolarHBondContact O-CB 3.37Å; F922-L926 PolarHBondContact O-N 3.19Å |
| 923 | D | 94.3 | Very high | 84.7 | Confident | 86 Ų | 86 | 101.8 Ų | 101.8 | 46% | 0.46 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.2 | -40 | 178.8 | -109.4 | 51.1 | 0 | 0 | 0 | 113.1 | D921 K927 | D921-D923 PolarHBondContact O-N 3.41Å; D923-K927 WeakPolarHBondContact O-CB 3.49Å; D923-K927 WeakPolarHBondContact O-CD 3.36Å; D923-K927 WeakPolarHBondContact O-CE 3.33Å; D923-K927 WeakPolarHBondContact O-CG 3.3Å; D923-K927 PolarHBondContact O-N 3.44Å; D923-K927 VanDerWaalsContact O-N 3.11Å; D923-K927 IonicContact OD2-NZ 3.14Å; D923-K927 PolarHBondContact OD2-NZ 3.45Å |
| 924 | T | 92.2 | Very high | 85.7 | Confident | 58 Ų | 58 | 102.6 Ų | 102.6 | 36% | 0.356 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -77.6 | -36.7 | 176.8 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | L920 D921 K927 E928 | L920-T924 HydrophobicContact CD1-CG2 4.28Å; L920-T924 HydrophobicContact CD2-CG2 4.08Å; D921-T924 PolarHBondContact O-N 3.1Å; D921-T924 VanDerWaalsContact O-N 3.1Å; D921-T924 WeakPolarHBondContact OD1-CB 3.5Å; D921-T924 PolarHBondContact OD1-N 3.11Å; D921-T924 PolarHBondContact OD1-OG1 2.58Å; T924-K927 PolarHBondContact O-N 3.47Å; T924-E928 WeakPolarHBondContact O-CB 3.46Å; T924-E928 PolarHBondContact O-N 3.4Å |
| 925 | L | 94.3 | Very high | 85.3 | Confident | 63 Ų | 63 | 108 Ų | 108 | 33% | 0.33 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59 | -47.5 | 170.9 | -76.9 | 164.6 | 0 | 0 | 0 | 111.6 | Y917 L920 D921 F922 K927 E928 A929 | Y917-L925 HydrophobicContact CD1-CD2 4.04Å; Y917-L925 HydrophobicContact CG-CD2 4.35Å; L920-L925 HydrophobicContact CB-CD1 4.43Å; L920-L925 HydrophobicContact CB-CD2 4.24Å; L920-L925 HydrophobicContact CB-CG 3.86Å; L920-L925 HydrophobicContact CD1-CD2 4.17Å; D921-L925 PolarHBondContact O-N 3.2Å; F922-L925 PolarHBondContact O-N 3.08Å; L925-K927 VanDerWaalsContact C-N 3.34Å; L925-K927 PolarHBondContact O-N 3.34Å; L925-E928 PolarHBondContact O-N 3.07Å; L925-A929 WeakPolarHBondContact O-CB 3.37Å; L925-A929 PolarHBondContact O-N 3.26Å |
| 926 | L | 93.4 | Very high | 86 | Confident | 77 Ų | 77 | 110.7 Ų | 110.7 | 40% | 0.403 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.1 | -39.8 | 177.6 | -176.2 | 60.1 | 0 | 0 | 0 | 111.6 | F922 Q930 | F922-L926 HydrophobicContact CE1-CD2 4.18Å; F922-L926 VanDerWaalsContact O-CB 3.24Å; F922-L926 WeakPolarHBondContact O-CB 3.37Å; F922-L926 PolarHBondContact O-N 3.19Å; L926-Q930 HydrophobicContact CD1-CG 4.46Å; L926-Q930 VanDerWaalsContact O-CB 3.32Å; L926-Q930 WeakPolarHBondContact O-CB 3.48Å; L926-Q930 WeakPolarHBondContact O-CG 3.28Å; L926-Q930 PolarHBondContact O-N 2.68Å |
| 927 | K | 90.5 | Very high | 86.5 | Confident | 112 Ų | 112 | 110 Ų | 110 | 49% | 0.487 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.8 | -38.8 | 174.6 | -72.6 | 160.2 | -163.1 | 142.3 | 0 | 112.6 | D923 T924 L925 K931 | D923-K927 WeakPolarHBondContact O-CB 3.49Å; D923-K927 WeakPolarHBondContact O-CD 3.36Å; D923-K927 WeakPolarHBondContact O-CE 3.33Å; D923-K927 WeakPolarHBondContact O-CG 3.3Å; D923-K927 PolarHBondContact O-N 3.44Å; D923-K927 VanDerWaalsContact O-N 3.11Å; D923-K927 IonicContact OD2-NZ 3.14Å; D923-K927 PolarHBondContact OD2-NZ 3.45Å; T924-K927 PolarHBondContact O-N 3.47Å; L925-K927 VanDerWaalsContact C-N 3.34Å; L925-K927 PolarHBondContact O-N 3.34Å; K927-K931 WeakPolarHBondContact O-CB 3.36Å; K927-K931 PolarHBondContact O-N 3.04Å |
| 928 | E | 92.2 | Very high | 86.9 | Confident | 71 Ų | 71 | 110.2 Ų | 110.2 | 33% | 0.332 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.6 | -42.6 | 176.4 | -165.7 | 171 | 179.2 | 0 | 0 | 110.8 | K916 Y917 T924 L925 K931 S932 | K916-E928 IonicContact NZ-OE1 2.83Å; K916-E928 PolarHBondContact NZ-OE1 2.86Å; K916-E928 IonicContact NZ-OE2 2.74Å; K916-E928 PolarHBondContact NZ-OE2 2.8Å; Y917-E928 WeakPolarHBondContact CE1-OE2 3.49Å; T924-E928 WeakPolarHBondContact O-CB 3.46Å; T924-E928 PolarHBondContact O-N 3.4Å; L925-E928 PolarHBondContact O-N 3.07Å; E928-K931 CarbonylContact O-C 3.48Å; E928-K931 PolarHBondContact O-N 3.37Å; E928-S932 PolarHBondContact O-N 3.32Å; E928-S932 PolarHBondContact O-OG 3.3Å |
| 929 | A | 92.3 | Very high | 87.2 | Confident | 56 Ų | 56 | 109.9 Ų | 109.9 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -43.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113 | L925 K931 S932 L933 | L925-A929 WeakPolarHBondContact O-CB 3.37Å; L925-A929 PolarHBondContact O-N 3.26Å; A929-K931 VanDerWaalsContact C-N 3.28Å; A929-K931 PolarHBondContact O-N 3.39Å; A929-S932 WeakPolarHBondContact CA-OG 3.36Å; A929-S932 PolarHBondContact O-N 3.38Å; A929-S932 PolarHBondContact O-OG 2.6Å; A929-L933 PolarHBondContact O-N 2.74Å; A929-L933 VanDerWaalsContact O-N 3.1Å |
| 930 | Q | 90 | Very high | 87.4 | Confident | 106 Ų | 106 | 110.9 Ų | 110.9 | 50% | 0.495 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.8 | -38.1 | 172.7 | -75.8 | 173.6 | -1.4 | 0 | 0 | 111.4 | L926 L933 H934 | L926-Q930 HydrophobicContact CD1-CG 4.46Å; L926-Q930 VanDerWaalsContact O-CB 3.32Å; L926-Q930 WeakPolarHBondContact O-CB 3.48Å; L926-Q930 WeakPolarHBondContact O-CG 3.28Å; L926-Q930 PolarHBondContact O-N 2.68Å; Q930-L933 PolarHBondContact O-N 3.35Å; Q930-H934 PolarHBondContact O-ND1 2.98Å |
| 931 | K | 87.6 | Confident | 87.2 | Confident | 166 Ų | 166 | 114.3 Ų | 114.3 | 72% | 0.722 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -73.7 | -30.9 | 178.9 | -172.4 | 176.3 | -179.9 | -178.1 | 0 | 113.2 | K927 E928 A929 | K927-K931 WeakPolarHBondContact O-CB 3.36Å; K927-K931 PolarHBondContact O-N 3.04Å; E928-K931 CarbonylContact O-C 3.48Å; E928-K931 PolarHBondContact O-N 3.37Å; A929-K931 VanDerWaalsContact C-N 3.28Å; A929-K931 PolarHBondContact O-N 3.39Å |
| 932 | S | 83.5 | Confident | 87 | Confident | 75 Ų | 75 | 115.6 Ų | 115.6 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -73.1 | -28.7 | 171.7 | 55.6 | 0 | 0 | 0 | 0 | 112.8 | E928 A929 H934 R935 | E928-S932 PolarHBondContact O-N 3.32Å; E928-S932 PolarHBondContact O-OG 3.3Å; A929-S932 WeakPolarHBondContact CA-OG 3.36Å; A929-S932 PolarHBondContact O-N 3.38Å; A929-S932 PolarHBondContact O-OG 2.6Å; S932-H934 PolarHBondContact O-N 2.72Å; S932-R935 PolarHBondContact O-N 3.12Å |
| 933 | L | 83.1 | Confident | 86.7 | Confident | 145 Ų | 145 | 112.5 Ų | 112.5 | 76% | 0.759 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | -13 | 176.6 | -169.2 | 62 | 0 | 0 | 0 | 113.6 | A929 Q930 | A929-L933 PolarHBondContact O-N 2.74Å; A929-L933 VanDerWaalsContact O-N 3.1Å; Q930-L933 PolarHBondContact O-N 3.35Å |
| 934 | H | 77 | Confident | 86 | Confident | 164 Ų | 164 | 114.8 Ų | 114.8 | 76% | 0.759 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 27.9 | 177.9 | -66.9 | 76.4 | 0 | 0 | 0 | 112.3 | Q930 S932 | Q930-H934 PolarHBondContact O-ND1 2.98Å; S932-H934 PolarHBondContact O-N 2.72Å |
| 935 | R | 56.2 | Low | 85.5 | Confident | 284 Ų | 284 | 119.9 Ų | 119.9 | 100% | 1.072 | 58% | 0.577 | S | S | * | * | | | trans | -134.7 | 0 | -174.8 | -167.1 | -177.8 | -168.3 | -144.5 | 1.3 | 112.3 | S932 | S932-R935 PolarHBondContact O-N 3.12Š|