| 1 | M | 55 | Low | 57.6 | Low | 209 Ų | 209 | 134.4 Ų | 134.4 | 100% | 1.03 | 86% | 0.856 | S | S | * | * | | | | 0 | 139.7 | 0 | -61.5 | -164.9 | 94.4 | 0 | 0 | 108.9 | | |
| 2 | P | 55.9 | Low | 57.2 | Low | 134 Ų | 134 | 134.1 Ų | 134.1 | 87% | 0.87 | 85% | 0.852 | S | S | * | * | | | | -130.7 | 155 | 115.7 | 32.8 | -20.8 | 0 | 0 | 0 | 112.9 | | |
| 3 | R | 64.6 | Low | 57.1 | Low | 227 Ų | 227 | 130.9 Ų | 130.9 | 86% | 0.857 | 85% | 0.845 | S | S | * | * | | | trans | -91.3 | 140.6 | -172 | -66.5 | 172.6 | 178.7 | 129.2 | -1.5 | 111 | | |
| 4 | G | 59.4 | Low | 57.2 | Low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 85% | 0.854 | S | S | * | * | | | | 97.5 | 131 | 122.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 5 | K | 61.3 | Low | 57.5 | Low | 207 Ų | 207 | 124.6 Ų | 124.6 | 90% | 0.9 | 83% | 0.831 | S | S | * | * | | | | 117.5 | 119.1 | 121.2 | -142.9 | 113.3 | 172.8 | -173.1 | 0 | 116.7 | | |
| 6 | S | 52.6 | Low | 57.8 | Low | 124 Ų | 124 | 124.3 Ų | 124.3 | 87% | 0.867 | 83% | 0.828 | S | S | * | * | | | trans | 177.9 | 148.7 | 134.9 | -76.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 7 | A | 45.8 | Very low | 57.9 | Low | 93 Ų | 93 | 119.5 Ų | 119.5 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | cis | -148.7 | 132.4 | -43.2 | 0 | 0 | 0 | 0 | 0 | 103.1 | G9 | A7-G9 PolarHBondContact O-N 3.12Š|
| 8 | S | 61.2 | Low | 57.9 | Low | 136 Ų | 136 | 121.1 Ų | 121.1 | 95% | 0.951 | 81% | 0.814 | S | S | * | * | | | trans | -66 | 116.4 | 176.9 | 170.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 9 | G | 63.2 | Low | 58 | Low | 80 Ų | 80 | 118.7 Ų | 118.7 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -153.5 | 88.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A7 | A7-G9 PolarHBondContact O-N 3.12Š|
| 10 | G | 50.6 | Low | 58 | Low | 70 Ų | 70 | 122.6 Ų | 122.6 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | trans | 178.7 | 75.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | T12 | G10-T12 PolarHBondContact O-N 2.86Š|
| 11 | S | 64.3 | Low | 58.7 | Low | 125 Ų | 125 | 124.9 Ų | 124.9 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | | | trans | -76.4 | 99.5 | 164.1 | 166.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 12 | T | 52.1 | Low | 59.3 | Low | 131 Ų | 131 | 119.1 Ų | 119.1 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -129.4 | 120.8 | 156.4 | 49.9 | 0 | 0 | 0 | 0 | 109.4 | G10 | G10-T12 PolarHBondContact O-N 2.86Š|
| 13 | A | 56 | Low | 60.7 | Low | 93 Ų | 93 | 115.2 Ų | 115.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | | | trans | 18 | 130.7 | 159 | 0 | 0 | 0 | 0 | 0 | 118.2 | G15 | A13-G15 VanDerWaalsContact C-N 3.32Å; A13-G15 PolarHBondContact O-N 3.44Å |
| 14 | A | 59.2 | Low | 61.5 | Low | 117 Ų | 117 | 109.7 Ų | 109.7 | 97% | 0.967 | 75% | 0.745 | S | S | * | * | | | trans | -45.9 | 88.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 15 | G | 61.9 | Low | 62.6 | Low | 50 Ų | 50 | 110 Ų | 110 | 52% | 0.515 | 74% | 0.736 | S | S | . | * | P | Polyproline II helix | trans | -84 | 159.3 | 169 | 0 | 0 | 0 | 0 | 0 | 110.1 | A13 G17 | A13-G15 VanDerWaalsContact C-N 3.32Å; A13-G15 PolarHBondContact O-N 3.44Å; G15-G17 PolarHBondContact O-N 3.3Å |
| 16 | P | 62.4 | Low | 63.8 | Low | 119 Ų | 119 | 109 Ų | 109 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -49.5 | 119.7 | 171.3 | -22 | 31.4 | 0 | 0 | 0 | 108.9 | | |
| 17 | G | 58.4 | Low | 65.5 | Low | 44 Ų | 44 | 110.2 Ų | 110.2 | 45% | 0.454 | 72% | 0.716 | S | S | . | * | P | Polyproline II helix | trans | -50.3 | 148.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113 | G15 G19 R20 | G15-G17 PolarHBondContact O-N 3.3Å; G17-G19 PolarHBondContact O-N 3.22Å; G17-R20 PolarHBondContact O-N 3.36Å |
| 18 | P | 58.5 | Low | 67.4 | Low | 148 Ų | 148 | 112.6 Ų | 112.6 | 96% | 0.961 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 99.4 | -179.9 | 23.7 | -31.4 | 0 | 0 | 0 | 109.1 | | |
| 19 | G | 59.4 | Low | 68.6 | Low | 75 Ų | 75 | 117.6 Ų | 117.6 | 77% | 0.773 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 148.3 | -15.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G17 | G17-G19 PolarHBondContact O-N 3.22Š|
| 20 | R | 58.8 | Low | 69.6 | Low | 196 Ų | 196 | 118.9 Ų | 118.9 | 74% | 0.74 | 70% | 0.704 | S | S | * | * | | | trans | -124 | 38.4 | -179.7 | -58.8 | -178.5 | 71.4 | -114 | 3.9 | 113.3 | G17 T22 | G17-R20 PolarHBondContact O-N 3.36Å; R20-T22 VanDerWaalsContact C-N 3.32Å; R20-T22 PolarHBondContact O-N 3.45Å |
| 21 | Q | 71.8 | Confident | 71 | Confident | 172 Ų | 172 | 121.1 Ų | 121.1 | 80% | 0.804 | 72% | 0.715 | S | S | * | * | | | trans | -73.8 | 91.6 | 167.5 | -167.8 | 178.3 | 11.3 | 0 | 0 | 108.4 | V23 | Q21-V23 PolarHBondContact O-N 3.07Š|
| 22 | T | 67.9 | Low | 71.7 | Confident | 88 Ų | 88 | 118.1 Ų | 118.1 | 54% | 0.54 | 70% | 0.704 | S | S | . | * | | | trans | -77 | 102.8 | 172.5 | 45.8 | 0 | 0 | 0 | 0 | 108.2 | R20 L24 | R20-T22 VanDerWaalsContact C-N 3.32Å; R20-T22 PolarHBondContact O-N 3.45Å; T22-L24 VanDerWaalsContact C-N 3.33Å; T22-L24 PolarHBondContact O-N 3.16Å |
| 23 | V | 85.8 | Confident | 73.2 | Confident | 51 Ų | 51 | 116.8 Ų | 116.8 | 31% | 0.309 | 70% | 0.7 | S | S | . | * | | | trans | -69.6 | 97.1 | 169.7 | -170.7 | 0 | 0 | 0 | 0 | 106.6 | Q21 S25 R26 | Q21-V23 PolarHBondContact O-N 3.07Å; V23-S25 WeakPolarHBondContact CG1-OG 3.45Å; V23-S25 PolarHBondContact O-N 2.9Å; V23-R26 HydrophobicContact CB-CG 4.16Å; V23-R26 VanDerWaalsContact O-CB 3.3Å; V23-R26 WeakPolarHBondContact O-CB 3.16Å; V23-R26 WeakPolarHBondContact O-CG 3.4Å; V23-R26 PolarHBondContact O-N 3.07Å |
| 24 | L | 80.4 | Confident | 74.1 | Confident | 112 Ų | 112 | 120.3 Ų | 120.3 | 59% | 0.586 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -57.6 | -23 | -175.3 | -67.5 | 175.2 | 0 | 0 | 0 | 112.9 | T22 R26 F27 F28 | T22-L24 VanDerWaalsContact C-N 3.33Å; T22-L24 PolarHBondContact O-N 3.16Å; L24-R26 PolarHBondContact O-N 3.18Å; L24-R26 VanDerWaalsContact O-N 3.16Å; L24-F27 PolarHBondContact O-N 2.9Å; L24-F28 PolarHBondContact O-N 3.01Å |
| 25 | S | 82.4 | Confident | 74.5 | Confident | 78 Ų | 78 | 125.6 Ų | 125.6 | 55% | 0.545 | 70% | 0.7 | S | S | . | * | G | 310 helix | trans | -61.5 | -19 | 172.7 | 68.3 | 0 | 0 | 0 | 0 | 113.8 | V23 F28 | V23-S25 WeakPolarHBondContact CG1-OG 3.45Å; V23-S25 PolarHBondContact O-N 2.9Å; S25-F28 CarbonylContact C-O 3.54Å; S25-F28 WeakPolarHBondContact CA-O 3.3Å |
| 26 | R | 87.7 | Confident | 74.6 | Confident | 188 Ų | 188 | 129 Ų | 129 | 71% | 0.709 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -74.4 | -27.3 | 174 | -63.7 | 177.9 | -173.7 | 154.4 | 3 | 112.6 | V23 L24 | V23-R26 HydrophobicContact CB-CG 4.16Å; V23-R26 VanDerWaalsContact O-CB 3.3Å; V23-R26 WeakPolarHBondContact O-CB 3.16Å; V23-R26 WeakPolarHBondContact O-CG 3.4Å; V23-R26 PolarHBondContact O-N 3.07Å; L24-R26 PolarHBondContact O-N 3.18Å; L24-R26 VanDerWaalsContact O-N 3.16Å |
| 27 | F | 88.8 | Confident | 74.5 | Confident | 149 Ų | 149 | 128.2 Ų | 128.2 | 65% | 0.654 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -29.6 | -178.8 | -63.8 | -80 | 0 | 0 | 0 | 112 | L24 | L24-F27 PolarHBondContact O-N 2.9Š|
| 28 | F | 84.6 | Confident | 74.7 | Confident | 143 Ų | 143 | 131 Ų | 131 | 63% | 0.627 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -126.9 | 131.7 | -176.2 | -58 | -76.7 | 0 | 0 | 0 | 111 | L24 S25 S30 | L24-F28 PolarHBondContact O-N 3.01Å; S25-F28 CarbonylContact C-O 3.54Å; S25-F28 WeakPolarHBondContact CA-O 3.3Å; F28-S30 PolarHBondContact O-N 2.93Å |
| 29 | R | 85.6 | Confident | 74.5 | Confident | 241 Ų | 241 | 128.3 Ų | 128.3 | 91% | 0.909 | 72% | 0.717 | S | S | * | * | | | trans | -77.4 | 117.8 | 166.7 | -67.3 | -179.6 | 63.4 | -121.9 | -1.4 | 108.2 | A31 | R29-A31 PolarHBondContact O-N 3.25Š|
| 30 | S | 85.4 | Confident | 74.3 | Confident | 107 Ų | 107 | 130.4 Ų | 130.4 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | | | trans | -60.5 | 125.7 | 175.6 | -61.7 | 0 | 0 | 0 | 0 | 110.4 | F28 G32 | F28-S30 PolarHBondContact O-N 2.93Å; S30-G32 PolarHBondContact O-N 3.07Å |
| 31 | A | 80.1 | Confident | 73.9 | Confident | 116 Ų | 116 | 126.7 Ų | 126.7 | 96% | 0.959 | 72% | 0.719 | S | S | * | * | | | trans | -80.1 | 13.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R29 | R29-A31 PolarHBondContact O-N 3.25Š|
| 32 | G | 79.7 | Confident | 72.4 | Confident | 62 Ų | 62 | 125.7 Ų | 125.7 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | | | trans | 100 | 166.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S30 | S30-G32 PolarHBondContact O-N 3.07Š|
| 33 | S | 81.8 | Confident | 71.7 | Confident | 103 Ų | 103 | 126.4 Ų | 126.4 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | | | trans | -97.6 | 117 | 176 | 172.1 | 0 | 0 | 0 | 0 | 108.2 | R35 | S33-R35 PolarHBondContact O-N 3.06Š|
| 34 | L | 74.8 | Confident | 69.6 | Low | 167 Ų | 167 | 128.2 Ų | 128.2 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | | | trans | -72.1 | 121.5 | 170.6 | -61.5 | 179 | 0 | 0 | 0 | 108 | | |
| 35 | R | 69.3 | Low | 68.2 | Low | 228 Ų | 228 | 130 Ų | 130 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | | | trans | -91.6 | 115.6 | 171.4 | -64.5 | -150.6 | 166.7 | -155.1 | -2.6 | 108.1 | S33 S37 | S33-R35 PolarHBondContact O-N 3.06Å; R35-S37 PolarHBondContact O-N 3.09Å |
| 36 | S | 63.4 | Low | 66.7 | Low | 122 Ų | 122 | 134.3 Ų | 134.3 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | | | trans | -66.3 | 104.4 | 169.6 | -59.7 | 0 | 0 | 0 | 0 | 108.6 | A38 | S36-A38 PolarHBondContact O-N 3.48Š|
| 37 | S | 59.6 | Low | 64.4 | Low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | -83.9 | 87.7 | 166.1 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | R35 S39 | R35-S37 PolarHBondContact O-N 3.09Å; S37-S39 PolarHBondContact O-N 2.99Å |
| 38 | A | 62.1 | Low | 62.2 | Low | 102 Ų | 102 | 130.3 Ų | 130.3 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | | | trans | -77.3 | 79.8 | 164 | 0 | 0 | 0 | 0 | 0 | 108 | S36 S40 | S36-A38 PolarHBondContact O-N 3.48Å; A38-S40 PolarHBondContact O-N 2.87Å |
| 39 | S | 55.8 | Low | 60.1 | Low | 91 Ų | 91 | 131.8 Ų | 131.8 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | trans | -90 | 93.3 | 169.6 | 53.9 | 0 | 0 | 0 | 0 | 108.6 | S37 T41 | S37-S39 PolarHBondContact O-N 2.99Å; S39-T41 VanDerWaalsContact C-N 3.26Å; S39-T41 PolarHBondContact O-N 3.39Å; S39-T41 VanDerWaalsContact O-N 3.09Å |
| 40 | S | 55.6 | Low | 57.9 | Low | 120 Ų | 120 | 123.3 Ų | 123.3 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | | | trans | -78.7 | 80.9 | 164.9 | 62.5 | 0 | 0 | 0 | 0 | 108.4 | A38 | A38-S40 PolarHBondContact O-N 2.87Š|
| 41 | T | 49.6 | Very low | 56.1 | Low | 117 Ų | 117 | 125.3 Ų | 125.3 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | trans | -151.7 | 91.7 | 172 | -57.5 | 0 | 0 | 0 | 0 | 108.3 | S39 | S39-T41 VanDerWaalsContact C-N 3.26Å; S39-T41 PolarHBondContact O-N 3.39Å; S39-T41 VanDerWaalsContact O-N 3.09Å |
| 42 | E | 40 | Very low | 54.9 | Low | 151 Ų | 151 | 124.6 Ų | 124.6 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | | -179.1 | 131.2 | 121.2 | -105.2 | -92.2 | 110.3 | 0 | 0 | 112 | | |
| 43 | P | 53.2 | Low | 53.8 | Low | 104 Ų | 104 | 131.8 Ų | 131.8 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | trans | -68.4 | 121.2 | 161 | 29.3 | -32.5 | 0 | 0 | 0 | 110.1 | E45 | P43-E45 PolarHBondContact O-N 3.32Š|
| 44 | A | 42.2 | Very low | 52 | Low | 89 Ų | 89 | 135.9 Ų | 135.9 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | | | trans | -68.4 | 94 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K46 | A44-K46 PolarHBondContact O-NZ 3.43Š|
| 45 | E | 50.3 | Low | 50.9 | Low | 149 Ų | 149 | 139 Ų | 139 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | | | trans | -1.2 | 133.6 | 141.9 | -159 | -172.9 | 161.4 | 0 | 0 | 116.4 | P43 | P43-E45 PolarHBondContact O-N 3.32Š|
| 46 | K | 51 | Low | 49.8 | Very low | 168 Ų | 168 | 133.9 Ų | 133.9 | 73% | 0.73 | 76% | 0.763 | S | S | * | * | | | | 179.8 | 118.1 | 128.9 | 46.6 | -150.8 | 146.8 | -78.4 | 0 | 110.6 | A44 | A44-K46 PolarHBondContact O-NZ 3.43Š|
| 47 | V | 39.5 | Very low | 49.3 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | | 172.6 | 100.5 | 122.7 | 165.2 | 0 | 0 | 0 | 0 | 105.7 | E49 | V47-E49 VanDerWaalsContact C-N 3.25Å; V47-E49 HydrophobicContact CG1-CB 4.11Å; V47-E49 PolarHBondContact O-N 3.3Å; V47-E49 VanDerWaalsContact O-N 3.07Å |
| 48 | T | 42 | Very low | 48.3 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -72.6 | 89.3 | 157.5 | 51.5 | 0 | 0 | 0 | 0 | 107 | | |
| 49 | E | 41.1 | Very low | 47.4 | Very low | 175 Ų | 175 | 137.5 Ų | 137.5 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -73.3 | 131.2 | 159.6 | -172.5 | 159.4 | 179.7 | 0 | 0 | 107.5 | V47 D51 | V47-E49 VanDerWaalsContact C-N 3.25Å; V47-E49 HydrophobicContact CG1-CB 4.11Å; V47-E49 PolarHBondContact O-N 3.3Å; V47-E49 VanDerWaalsContact O-N 3.07Å; E49-D51 PolarHBondContact O-N 3.24Å |
| 50 | G | 38.9 | Very low | 46.9 | Very low | 63 Ų | 63 | 137 Ų | 137 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | | | trans | -55.6 | 134 | -168 | 0 | 0 | 0 | 0 | 0 | 113.6 | S52 | G50-S52 VanDerWaalsContact C-N 3.31Å; G50-S52 PolarHBondContact O-N 2.8Å |
| 51 | D | 49.1 | Very low | 46.4 | Very low | 148 Ų | 148 | 135 Ų | 135 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -56.4 | 92.2 | 160.4 | 174.8 | 38 | 0 | 0 | 0 | 109.8 | E49 R53 | E49-D51 PolarHBondContact O-N 3.24Å; D51-R53 VanDerWaalsContact C-N 3.3Å; D51-R53 PolarHBondContact O-N 3.42Å; D51-R53 VanDerWaalsContact O-N 3.12Å |
| 52 | S | 53.4 | Low | 46.6 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | | | trans | -79.9 | 82 | 166.3 | 59 | 0 | 0 | 0 | 0 | 109.2 | G50 | G50-S52 VanDerWaalsContact C-N 3.31Å; G50-S52 PolarHBondContact O-N 2.8Å |
| 53 | R | 56.8 | Low | 47.4 | Very low | 213 Ų | 213 | 133.9 Ų | 133.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | 160.2 | 96.1 | 140.4 | -87.9 | 173 | -60.2 | -159.6 | 6.6 | 108.8 | D51 | D51-R53 VanDerWaalsContact C-N 3.3Å; D51-R53 PolarHBondContact O-N 3.42Å; D51-R53 VanDerWaalsContact O-N 3.12Å |
| 54 | K | 45.1 | Very low | 47.2 | Very low | 189 Ų | 189 | 138.8 Ų | 138.8 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | | | | -175 | 147.6 | 108.5 | -73.8 | -132.8 | -164.2 | -69.4 | 0 | 110.1 | | |
| 55 | R | 51 | Low | 48.2 | Very low | 231 Ų | 231 | 144.4 Ų | 144.4 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -61.2 | 142.5 | -174 | -59.2 | 165.5 | -169.8 | 99.8 | 4.2 | 112.8 | | |
| 56 | S | 46.5 | Very low | 48.4 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | | -158.8 | 135.7 | 129.1 | 52.3 | 0 | 0 | 0 | 0 | 111 | | |
| 57 | L | 52.7 | Low | 48.9 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 94% | 0.942 | 81% | 0.806 | S | S | * | * | | | trans | -77.2 | 149.2 | 179.8 | -82.3 | 90.2 | 0 | 0 | 0 | 111.4 | | |
| 58 | G | 37.8 | Very low | 49.8 | Very low | 64 Ų | 64 | 148.5 Ų | 148.5 | 66% | 0.66 | 81% | 0.813 | S | S | * | * | | | trans | 136 | 134.9 | 157.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 59 | N | 43.9 | Very low | 50.2 | Low | 159 Ų | 159 | 152.1 Ų | 152.1 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | | | cis | 179.2 | 123.7 | -6.1 | 36.1 | -45.7 | 0 | 0 | 0 | 104.6 | | |
| 60 | G | 45.3 | Very low | 50.3 | Low | 81 Ų | 81 | 149.2 Ų | 149.2 | 84% | 0.835 | 81% | 0.811 | S | S | * | * | | | trans | 59.4 | 124.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 61 | G | 45.8 | Very low | 50.8 | Low | 77 Ų | 77 | 151 Ų | 151 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | -69.8 | -154.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 62 | P | 53.5 | Low | 50.8 | Low | 117 Ų | 117 | 152.3 Ų | 152.3 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | | | cis | -138.1 | 152.7 | 11.5 | 39.3 | -19.1 | 0 | 0 | 0 | 117.9 | | |
| 63 | T | 56.7 | Low | 50.6 | Low | 128 Ų | 128 | 157.5 Ų | 157.5 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | | | trans | 30.2 | 133.2 | 144.1 | 65.3 | 0 | 0 | 0 | 0 | 122.4 | | |
| 64 | K | 49.5 | Very low | 50.2 | Low | 207 Ų | 207 | 155.9 Ų | 155.9 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | | | trans | -167.8 | 111.1 | 136.4 | -105 | 157.5 | -171 | 179.9 | 0 | 115.4 | | |
| 65 | K | 61.7 | Low | 50.4 | Low | 206 Ų | 206 | 154.6 Ų | 154.6 | 90% | 0.896 | 82% | 0.821 | S | S | * | * | | | trans | 64.4 | 116 | 131.5 | -148.2 | 171.7 | -177.4 | 179 | 0 | 121.1 | | |
| 66 | K | 56 | Low | 50.2 | Low | 198 Ų | 198 | 151 Ų | 151 | 86% | 0.861 | 81% | 0.814 | S | S | * | * | | | trans | -71.6 | 136 | 172.8 | -174.3 | 178.3 | -174.8 | 178.3 | 0 | 112.5 | | |
| 67 | A | 60.1 | Low | 50.6 | Low | 94 Ų | 94 | 150.4 Ų | 150.4 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | -119 | 132 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 68 | R | 58.7 | Low | 50.7 | Low | 231 Ų | 231 | 148.9 Ų | 148.9 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | trans | -56.6 | 129.2 | -179.4 | 179.4 | -176.8 | 179 | -146.4 | 1.8 | 110.8 | | |
| 69 | K | 50 | Low | 51.4 | Low | 209 Ų | 209 | 150.5 Ų | 150.5 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | | | trans | -121 | 127.8 | 164.2 | -142 | 167.4 | -174.8 | -168 | 0 | 110.1 | | |
| 70 | V | 43.2 | Very low | 51.7 | Low | 114 Ų | 114 | 149.5 Ų | 149.5 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | | | trans | -64.8 | 148.1 | -177 | 166.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 71 | P | 49.5 | Very low | 51.9 | Low | 101 Ų | 101 | 148.7 Ų | 148.7 | 66% | 0.656 | 78% | 0.779 | S | S | * | * | | | trans | -81 | 153.9 | -161.1 | 33.1 | -34.4 | 0 | 0 | 0 | 113.8 | | |
| 72 | E | 50 | Low | 52.3 | Low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | trans | 54.5 | 111.4 | 141.2 | -63.8 | 167.7 | -178.6 | 0 | 0 | 118.1 | | |
| 73 | K | 48 | Very low | 52.2 | Low | 211 Ų | 211 | 152.4 Ų | 152.4 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | trans | -115.8 | 96.9 | 137.8 | -82.2 | -168.9 | 174.7 | 179.2 | 0 | 107.6 | E75 | K73-E75 PolarHBondContact O-N 3.49Å; K73-E75 VanDerWaalsContact O-N 3.1Å |
| 74 | E | 49.8 | Very low | 52.2 | Low | 179 Ų | 179 | 152 Ų | 152 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | -48.8 | 105.2 | 156.9 | -158.9 | 169.2 | -169.8 | 0 | 0 | 106.9 | E76 | E74-E76 PolarHBondContact O-N 3Š|
| 75 | E | 49.5 | Very low | 52.8 | Low | 162 Ų | 162 | 146.8 Ų | 146.8 | 76% | 0.757 | 75% | 0.754 | S | S | * | * | | | trans | -71.9 | 81.5 | 169.8 | -169.9 | 173.3 | 140.1 | 0 | 0 | 105.9 | K73 N77 | K73-E75 PolarHBondContact O-N 3.49Å; K73-E75 VanDerWaalsContact O-N 3.1Å; E75-N77 PolarHBondContact O-N 3Å; E75-N77 PolarHBondContact O-OD1 3.04Å |
| 76 | E | 45.4 | Very low | 53.2 | Low | 155 Ų | 155 | 138.4 Ų | 138.4 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | | | trans | -65.8 | 81.6 | 161.3 | -171 | -174.8 | 140.7 | 0 | 0 | 106.5 | E74 I78 | E74-E76 PolarHBondContact O-N 3Å; E76-I78 VanDerWaalsContact C-N 3.26Å; E76-I78 PolarHBondContact O-N 3.43Å |
| 77 | N | 54.8 | Low | 54.1 | Low | 109 Ų | 109 | 132.3 Ų | 132.3 | 58% | 0.583 | 70% | 0.702 | S | S | * | * | | | trans | -56.8 | 97.4 | 160.9 | 24.6 | -123.4 | 0 | 0 | 0 | 106.6 | E75 S79 | E75-N77 PolarHBondContact O-N 3Å; E75-N77 PolarHBondContact O-OD1 3.04Å; N77-S79 PolarHBondContact O-N 3.26Å |
| 78 | I | 55.2 | Low | 55 | Low | 149 Ų | 149 | 132.6 Ų | 132.6 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | | | trans | -59.9 | 67 | 168.7 | 44.5 | 164 | 0 | 0 | 0 | 110 | E76 | E76-I78 VanDerWaalsContact C-N 3.26Å; E76-I78 PolarHBondContact O-N 3.43Å |
| 79 | S | 53.7 | Low | 56.1 | Low | 97 Ų | 97 | 125.6 Ų | 125.6 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | | | trans | -103.4 | 52.4 | -177.1 | -64.5 | 0 | 0 | 0 | 0 | 109.4 | N77 | N77-S79 PolarHBondContact O-N 3.26Š|
| 80 | V | 49.8 | Very low | 57.8 | Low | 138 Ų | 138 | 120.9 Ų | 120.9 | 84% | 0.836 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -166.1 | 93.1 | 166.5 | 136.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 81 | A | 48.2 | Very low | 60 | Low | 65 Ų | 65 | 119.8 Ų | 119.8 | 54% | 0.537 | 65% | 0.647 | S | S | . | * | S | Bend | trans | 164.9 | -9.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H83 | A81-H83 PolarHBondContact O-N 2.88Š|
| 82 | A | 54.4 | Low | 61.8 | Low | 75 Ų | 75 | 119.5 Ų | 119.5 | 62% | 0.62 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 24.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | H84 | A82-H84 PolarHBondContact O-N 3.29Š|
| 83 | H | 51.6 | Low | 63.7 | Low | 197 Ų | 197 | 113.6 Ų | 113.6 | 91% | 0.912 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -0.8 | 169.7 | -87 | -74.4 | 0 | 0 | 0 | 113.1 | A81 | A81-H83 PolarHBondContact O-N 2.88Š|
| 84 | H | 57.9 | Low | 65.9 | Low | 118 Ų | 118 | 109.3 Ų | 109.3 | 55% | 0.546 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -109 | 120.3 | 175.9 | -157.8 | -91.9 | 0 | 0 | 0 | 111.4 | A82 G86 I87 | A82-H84 PolarHBondContact O-N 3.29Å; H84-G86 PolarHBondContact ND1-N 2.79Å; H84-G86 PolarHBondContact O-N 3.36Å; H84-G86 VanDerWaalsContact O-N 3.08Å; H84-I87 HydrophobicContact CB-CD1 4.07Å; H84-I87 HydrophobicContact CB-CG1 4.33Å; H84-I87 PolarHBondContact O-N 3.1Å |
| 85 | P | 61.4 | Low | 67.8 | Low | 98 Ų | 98 | 104.3 Ų | 104.3 | 64% | 0.636 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -61.5 | -24.4 | -175 | 24.4 | -33.8 | 0 | 0 | 0 | 113 | I87 V89 | P85-I87 PolarHBondContact O-N 2.91Å; P85-V89 WeakPolarHBondContact O-CG2 3.45Å; P85-V89 PolarHBondContact O-N 2.7Å |
| 86 | G | 69.9 | Low | 69.9 | Low | 30 Ų | 30 | 100.3 Ų | 100.3 | 31% | 0.309 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.9 | -30.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | H84 N90 | H84-G86 PolarHBondContact ND1-N 2.79Å; H84-G86 PolarHBondContact O-N 3.36Å; H84-G86 VanDerWaalsContact O-N 3.08Å; G86-N90 WeakPolarHBondContact O-CB 3.31Å; G86-N90 VanDerWaalsContact O-CG 3.26Å; G86-N90 PolarHBondContact O-N 3.33Å; G86-N90 PolarHBondContact O-ND2 3.39Å |
| 87 | I | 75 | Confident | 72.1 | Confident | 71 Ų | 71 | 101 Ų | 101 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.9 | -42.3 | -178.4 | -63.8 | 171 | 0 | 0 | 0 | 109.9 | H84 P85 V89 N90 I91 | H84-I87 HydrophobicContact CB-CD1 4.07Å; H84-I87 HydrophobicContact CB-CG1 4.33Å; H84-I87 PolarHBondContact O-N 3.1Å; P85-I87 PolarHBondContact O-N 2.91Å; I87-V89 PolarHBondContact O-N 2.94Å; I87-N90 PolarHBondContact O-N 3.36Å; I87-I91 HydrophobicContact CG2-CD1 3.78Å; I87-I91 HydrophobicContact CG2-CG1 4.44Å; I87-I91 VanDerWaalsContact O-CG1 3.29Å; I87-I91 WeakPolarHBondContact O-CG1 3.4Å; I87-I91 PolarHBondContact O-N 2.88Å |
| 88 | L | 77.8 | Confident | 73.7 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 52% | 0.518 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -62.2 | -44.1 | 177.4 | -164.9 | 85.1 | 0 | 0 | 0 | 111.6 | N90 I91 I92 | L88-N90 VanDerWaalsContact C-N 3.32Å; L88-N90 PolarHBondContact O-N 2.92Å; L88-I91 PolarHBondContact O-N 3.27Å; L88-I92 HydrophobicContact CD2-CD1 4.03Å; L88-I92 HydrophobicContact CG-CD1 3.86Å; L88-I92 WeakPolarHBondContact O-CB 3.29Å; L88-I92 WeakPolarHBondContact O-CD1 3.48Å; L88-I92 WeakPolarHBondContact O-CG1 3.49Å; L88-I92 PolarHBondContact O-N 3.06Å |
| 89 | V | 82.6 | Confident | 75 | Confident | 84 Ų | 84 | 105.6 Ų | 105.6 | 51% | 0.509 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.9 | -40.2 | 178.6 | 174.4 | 0 | 0 | 0 | 0 | 111.3 | P85 I87 T93 | P85-V89 WeakPolarHBondContact O-CG2 3.45Å; P85-V89 PolarHBondContact O-N 2.7Å; I87-V89 PolarHBondContact O-N 2.94Å; V89-T93 VanDerWaalsContact O-CB 3.29Å; V89-T93 WeakPolarHBondContact O-CB 3.22Å; V89-T93 PolarHBondContact O-N 3.47Å; V89-T93 PolarHBondContact O-OG1 2.69Å |
| 90 | N | 86 | Confident | 76.2 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -67.2 | -42 | 176.7 | -74.2 | -18.9 | 0 | 0 | 0 | 112.3 | G86 I87 L88 T93 L94 | G86-N90 WeakPolarHBondContact O-CB 3.31Å; G86-N90 VanDerWaalsContact O-CG 3.26Å; G86-N90 PolarHBondContact O-N 3.33Å; G86-N90 PolarHBondContact O-ND2 3.39Å; I87-N90 PolarHBondContact O-N 3.36Å; L88-N90 VanDerWaalsContact C-N 3.32Å; L88-N90 PolarHBondContact O-N 2.92Å; N90-T93 PolarHBondContact O-N 3.15Å; N90-L94 WeakPolarHBondContact O-CB 3.44Å; N90-L94 PolarHBondContact O-N 3.33Å |
| 91 | I | 88.6 | Confident | 77.3 | Confident | 90 Ų | 90 | 108.7 Ų | 108.7 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.6 | -49.4 | 176.2 | -68.2 | 166.7 | 0 | 0 | 0 | 110.3 | I87 L88 T93 L94 C95 | I87-I91 HydrophobicContact CG2-CD1 3.78Å; I87-I91 HydrophobicContact CG2-CG1 4.44Å; I87-I91 VanDerWaalsContact O-CG1 3.29Å; I87-I91 WeakPolarHBondContact O-CG1 3.4Å; I87-I91 PolarHBondContact O-N 2.88Å; L88-I91 PolarHBondContact O-N 3.27Å; I91-T93 VanDerWaalsContact C-N 3.28Å; I91-T93 PolarHBondContact O-N 2.89Å; I91-L94 PolarHBondContact O-N 3.47Å; I91-L94 VanDerWaalsContact O-N 3.15Å; I91-C95 WeakPolarHBondContact O-CB 3.29Å; I91-C95 PolarHBondContact O-N 2.91Å; I91-C95 PolarHBondContact O-SG 3.28Å |
| 92 | I | 87.9 | Confident | 78.7 | Confident | 95 Ų | 95 | 110.9 Ų | 110.9 | 49% | 0.487 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.1 | -44.3 | 178.1 | -67.4 | 164.9 | 0 | 0 | 0 | 110.2 | L88 L94 C95 V96 | L88-I92 HydrophobicContact CD2-CD1 4.03Å; L88-I92 HydrophobicContact CG-CD1 3.86Å; L88-I92 WeakPolarHBondContact O-CB 3.29Å; L88-I92 WeakPolarHBondContact O-CD1 3.48Å; L88-I92 WeakPolarHBondContact O-CG1 3.49Å; L88-I92 PolarHBondContact O-N 3.06Å; I92-L94 PolarHBondContact O-N 3.44Å; I92-C95 PolarHBondContact O-N 3.32Å; I92-V96 VanDerWaalsContact O-CG2 3.29Å; I92-V96 WeakPolarHBondContact O-CG2 3.46Å; I92-V96 PolarHBondContact O-N 2.86Å |
| 93 | T | 90.9 | Very high | 80 | Confident | 53 Ų | 53 | 112.7 Ų | 112.7 | 33% | 0.325 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.8 | -41.3 | 178.2 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | V89 N90 I91 R97 | V89-T93 VanDerWaalsContact O-CB 3.29Å; V89-T93 WeakPolarHBondContact O-CB 3.22Å; V89-T93 PolarHBondContact O-N 3.47Å; V89-T93 PolarHBondContact O-OG1 2.69Å; N90-T93 PolarHBondContact O-N 3.15Å; I91-T93 VanDerWaalsContact C-N 3.28Å; I91-T93 PolarHBondContact O-N 2.89Å; T93-R97 WeakPolarHBondContact O-CG 3.37Å; T93-R97 PolarHBondContact O-N 2.7Å |
| 94 | L | 92.8 | Very high | 81.6 | Confident | 120 Ų | 120 | 108.1 Ų | 108.1 | 63% | 0.628 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67.7 | -42.3 | 178.3 | -172 | 67.5 | 0 | 0 | 0 | 111.5 | N90 I91 I92 V96 R97 L98 | N90-L94 WeakPolarHBondContact O-CB 3.44Å; N90-L94 PolarHBondContact O-N 3.33Å; I91-L94 PolarHBondContact O-N 3.47Å; I91-L94 VanDerWaalsContact O-N 3.15Å; I92-L94 PolarHBondContact O-N 3.44Å; L94-V96 PolarHBondContact O-N 3.46Å; L94-R97 PolarHBondContact O-N 3.28Å; L94-L98 WeakPolarHBondContact O-CB 3.46Å; L94-L98 PolarHBondContact O-N 3.3Å |
| 95 | C | 90.4 | Very high | 83 | Confident | 75 Ų | 75 | 107.5 Ų | 107.5 | 51% | 0.507 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.5 | -43.5 | 176.2 | -69.2 | 0 | 0 | 0 | 0 | 111.8 | I91 I92 R97 L98 W99 | I91-C95 WeakPolarHBondContact O-CB 3.29Å; I91-C95 PolarHBondContact O-N 2.91Å; I91-C95 PolarHBondContact O-SG 3.28Å; I92-C95 PolarHBondContact O-N 3.32Å; C95-R97 VanDerWaalsContact C-N 3.35Å; C95-L98 PolarHBondContact O-N 2.97Å; C95-W99 WeakPolarHBondContact O-CB 3.35Å; C95-W99 PolarHBondContact O-N 3.47Å |
| 96 | V | 92.6 | Very high | 84.3 | Confident | 77 Ų | 77 | 108.1 Ų | 108.1 | 47% | 0.467 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.1 | -41.3 | 176.7 | 172.4 | 0 | 0 | 0 | 0 | 111 | I92 L94 W99 I100 | I92-V96 VanDerWaalsContact O-CG2 3.29Å; I92-V96 WeakPolarHBondContact O-CG2 3.46Å; I92-V96 PolarHBondContact O-N 2.86Å; L94-V96 PolarHBondContact O-N 3.46Å; V96-W99 PolarHBondContact O-N 3.07Å; V96-I100 HydrophobicContact CG1-CD1 3.75Å; V96-I100 WeakPolarHBondContact O-CD1 3.49Å; V96-I100 VanDerWaalsContact O-CG1 3.31Å; V96-I100 WeakPolarHBondContact O-CG1 3.29Å; V96-I100 PolarHBondContact O-N 3.08Å |
| 97 | R | 91.9 | Very high | 85.3 | Confident | 170 Ų | 170 | 113.3 Ų | 113.3 | 64% | 0.642 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.9 | -41.8 | 177.3 | -80.2 | -174.4 | 163.9 | 116.3 | 1.5 | 113 | T93 L94 C95 W99 I100 T101 | T93-R97 WeakPolarHBondContact O-CG 3.37Å; T93-R97 PolarHBondContact O-N 2.7Å; L94-R97 PolarHBondContact O-N 3.28Å; C95-R97 VanDerWaalsContact C-N 3.35Å; R97-W99 VanDerWaalsContact C-N 3.33Å; R97-I100 PolarHBondContact O-N 3.43Å; R97-T101 PolarHBondContact O-N 2.99Å; R97-T101 PolarHBondContact O-OG1 3.17Å |
| 98 | L | 88.4 | Confident | 86 | Confident | 132 Ų | 132 | 116.3 Ų | 116.3 | 69% | 0.691 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70.6 | -30.1 | 178.8 | -173.4 | 62.4 | 0 | 0 | 0 | 112.4 | L94 C95 I100 | L94-L98 WeakPolarHBondContact O-CB 3.46Å; L94-L98 PolarHBondContact O-N 3.3Å; C95-L98 PolarHBondContact O-N 2.97Å; L98-I100 VanDerWaalsContact C-N 3.33Å |
| 99 | W | 83.9 | Confident | 86.6 | Confident | 222 Ų | 222 | 117.6 Ų | 117.6 | 84% | 0.841 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -70.3 | -31 | 176.5 | -172.8 | -76.8 | 0 | 0 | 0 | 113.1 | C95 V96 R97 | C95-W99 WeakPolarHBondContact O-CB 3.35Å; C95-W99 PolarHBondContact O-N 3.47Å; V96-W99 PolarHBondContact O-N 3.07Å; R97-W99 VanDerWaalsContact C-N 3.33Å |
| 100 | I | 77.3 | Confident | 87 | Confident | 132 Ų | 132 | 120.4 Ų | 120.4 | 68% | 0.677 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -91.4 | -11.5 | -174.6 | -63.3 | 168.5 | 0 | 0 | 0 | 111.8 | V96 R97 L98 | V96-I100 HydrophobicContact CG1-CD1 3.75Å; V96-I100 WeakPolarHBondContact O-CD1 3.49Å; V96-I100 VanDerWaalsContact O-CG1 3.31Å; V96-I100 WeakPolarHBondContact O-CG1 3.29Å; V96-I100 PolarHBondContact O-N 3.08Å; R97-I100 PolarHBondContact O-N 3.43Å; L98-I100 VanDerWaalsContact C-N 3.33Å |
| 101 | T | 73.1 | Confident | 87.1 | Confident | 168 Ų | 168 | 121.3 Ų | 121.3 | 100% | 1.031 | 61% | 0.614 | S | S | * | * | | | trans | -92 | 0 | 173.7 | -51 | 0 | 0 | 0 | 0 | 109.9 | R97 | R97-T101 PolarHBondContact O-N 2.99Å; R97-T101 PolarHBondContact O-OG1 3.17Å |