| 1 | M | 35 | Very low | 35.6 | Very low | 242 Ų | 242 | 142.6 Ų | 142.6 | 100% | 1.192 | 84% | 0.838 | S | S | * | * | | | | 0 | 111.8 | 0 | -97.3 | 171.2 | 166.8 | 0 | 0 | 107.2 | | |
| 2 | D | 35 | Very low | 35.6 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 84% | 0.84 | 83% | 0.833 | S | S | * | * | | | trans | -43.8 | 134.2 | 178.8 | -62.3 | -86.7 | 0 | 0 | 0 | 113.7 | | |
| 3 | C | 31.2 | Very low | 36 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 90% | 0.899 | 84% | 0.838 | S | S | * | * | | | trans | -155.1 | 55.7 | 151 | -99.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 4 | C | 44.1 | Very low | 36.2 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 93% | 0.926 | 82% | 0.816 | S | S | * | * | | | trans | -92.3 | 97.2 | 146.3 | -78.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 5 | A | 33.5 | Very low | 36.6 | Very low | 91 Ų | 91 | 135.6 Ų | 135.6 | 75% | 0.752 | 83% | 0.825 | S | S | * | * | | | trans | -150.9 | 104.5 | 162 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 6 | L | 33.3 | Very low | 37.1 | Very low | 144 Ų | 144 | 132.4 Ų | 132.4 | 75% | 0.754 | 82% | 0.818 | S | S | * | * | | | trans | 89.5 | 114.6 | 130 | -153.5 | 65.8 | 0 | 0 | 0 | 117.7 | | |
| 7 | R | 33.6 | Very low | 37.1 | Very low | 202 Ų | 202 | 131 Ų | 131 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | | | trans | 89.5 | 104.3 | 151.6 | -74.4 | 157.2 | -166.6 | -139.8 | 3.2 | 118.2 | | |
| 8 | S | 43.8 | Very low | 37.1 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | | | trans | 52.8 | 70.8 | 139.5 | 59 | 0 | 0 | 0 | 0 | 116.1 | S10 | S8-S10 PolarHBondContact O-N 3.36Å; S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 VanDerWaalsContact O-N 3.09Å |
| 9 | C | 31.5 | Very low | 37.4 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | | | trans | -78.9 | 90.8 | 163.7 | -63.2 | 0 | 0 | 0 | 0 | 108.4 | V11 | C9-V11 PolarHBondContact O-N 3.31Š|
| 10 | S | 34.8 | Very low | 37.1 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | trans | -49.5 | 119.7 | 164.8 | -56.8 | 0 | 0 | 0 | 0 | 108.7 | S8 P12 | S8-S10 PolarHBondContact O-N 3.36Å; S8-S10 VanDerWaalsContact C-N 3.34Å; S8-S10 VanDerWaalsContact O-N 3.09Å; S10-P12 WeakPolarHBondContact O-CD 3.33Å; S10-P12 VanDerWaalsContact O-CD 3.32Å |
| 11 | V | 35.8 | Very low | 37.2 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | | | trans | -62.8 | 120.6 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | C9 T13 | C9-V11 PolarHBondContact O-N 3.31Å; V11-T13 PolarHBondContact O-N 3.26Å |
| 12 | P | 35.9 | Very low | 37.3 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -75 | 108.5 | 164.7 | -1.7 | 19.4 | 0 | 0 | 0 | 107 | S10 G14 | S10-P12 WeakPolarHBondContact O-CD 3.33Å; S10-P12 VanDerWaalsContact O-CD 3.32Å; P12-G14 PolarHBondContact O-N 3.09Å |
| 13 | T | 40.9 | Very low | 37.5 | Very low | 147 Ų | 147 | 127.2 Ų | 127.2 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -65.1 | 97 | 164.7 | -49.8 | 0 | 0 | 0 | 0 | 107.9 | V11 | V11-T13 PolarHBondContact O-N 3.26Š|
| 14 | G | 38.9 | Very low | 37.9 | Very low | 51 Ų | 51 | 130.1 Ų | 130.1 | 53% | 0.526 | 77% | 0.773 | S | S | . | * | S | Bend | trans | -161.2 | 145.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P12 A16 | P12-G14 PolarHBondContact O-N 3.09Å; G14-A16 PolarHBondContact O-N 3.17Å |
| 15 | P | 41.6 | Very low | 37.8 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 96% | 0.955 | 76% | 0.763 | S | S | * | * | | | trans | -77.6 | 96.8 | -171.4 | 31.6 | -30.8 | 0 | 0 | 0 | 109.4 | | |
| 16 | A | 45 | Very low | 38.1 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | | | trans | -130.4 | 95.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | G14 | G14-A16 PolarHBondContact O-N 3.17Š|
| 17 | T | 36.3 | Very low | 38.7 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | trans | -139.3 | 72 | 168.1 | 60.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 18 | T | 36.9 | Very low | 39 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | | | trans | -85.5 | 101.8 | 154.5 | -2 | 0 | 0 | 0 | 0 | 106.8 | | |
| 19 | F | 43.6 | Very low | 39 | Very low | 172 Ų | 172 | 125.7 Ų | 125.7 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | | | trans | -78.2 | 124.8 | 169.3 | -88.8 | -89.5 | 0 | 0 | 0 | 109.2 | S21 | F19-S21 PolarHBondContact O-N 3.28Š|
| 20 | C | 31.5 | Very low | 39.8 | Very low | 91 Ų | 91 | 125.3 Ų | 125.3 | 62% | 0.615 | 75% | 0.75 | S | S | * | * | | | trans | -73 | 112 | 170.5 | -77.8 | 0 | 0 | 0 | 0 | 109.7 | F22 | C20-F22 PolarHBondContact O-N 2.83Å; C20-F22 VanDerWaalsContact O-N 3.13Å |
| 21 | S | 38.8 | Very low | 39.9 | Very low | 119 Ų | 119 | 122.3 Ų | 122.3 | 83% | 0.832 | 73% | 0.729 | S | S | * | * | | | trans | -80.7 | 83.4 | 171.9 | -61.5 | 0 | 0 | 0 | 0 | 110.9 | F19 | F19-S21 PolarHBondContact O-N 3.28Š|
| 22 | F | 38 | Very low | 40.1 | Very low | 195 Ų | 195 | 122.1 Ų | 122.1 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -165 | 141.5 | 139.4 | -141.2 | -105.5 | 0 | 0 | 0 | 110.4 | C20 K24 | C20-F22 PolarHBondContact O-N 2.83Å; C20-F22 VanDerWaalsContact O-N 3.13Å; F22-K24 VanDerWaalsContact C-N 3.31Å; F22-K24 PolarHBondContact O-N 3.18Å |
| 23 | D | 38.9 | Very low | 40.4 | Very low | 152 Ų | 152 | 121.3 Ų | 121.3 | 81% | 0.813 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -58.7 | 78.3 | -178.3 | -169.4 | -105.8 | 0 | 0 | 0 | 112.8 | | |
| 24 | K | 39.3 | Very low | 40.2 | Very low | 194 Ų | 194 | 119.6 Ų | 119.6 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -171.4 | 99.9 | 160.1 | -104.2 | 165.6 | -162.1 | 168.8 | 0 | 107.9 | F22 C26 | F22-K24 VanDerWaalsContact C-N 3.31Å; F22-K24 PolarHBondContact O-N 3.18Å; K24-C26 PolarHBondContact O-N 3.2Å |
| 25 | S | 41.7 | Very low | 40.2 | Very low | 102 Ų | 102 | 122.3 Ų | 122.3 | 71% | 0.713 | 72% | 0.718 | S | S | * | * | | | trans | -44 | 106.8 | 179.2 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | R27 | S25-R27 PolarHBondContact O-N 3.02Š|
| 26 | C | 40 | Very low | 40 | Very low | 83 Ų | 83 | 117.5 Ų | 117.5 | 56% | 0.561 | 69% | 0.688 | S | S | * | * | | | trans | -79.5 | 104.2 | 159.6 | -153 | 0 | 0 | 0 | 0 | 106.1 | K24 C28 | K24-C26 PolarHBondContact O-N 3.2Å; C26-C28 PolarHBondContact O-N 3.31Å |
| 27 | R | 45.4 | Very low | 39.8 | Very low | 232 Ų | 232 | 119.5 Ų | 119.5 | 88% | 0.875 | 69% | 0.694 | S | S | * | * | | | trans | -74.1 | 18.2 | 178.8 | -67.5 | -170 | -177 | -170.8 | 1.4 | 113.2 | S25 G29 | S25-R27 PolarHBondContact O-N 3.02Å; R27-G29 PolarHBondContact O-N 2.98Å |
| 28 | C | 40.1 | Very low | 39.9 | Very low | 83 Ų | 83 | 121.4 Ų | 121.4 | 56% | 0.561 | 69% | 0.694 | S | S | * | * | | | trans | -94.7 | 92.2 | 172.4 | -52.6 | 0 | 0 | 0 | 0 | 105.6 | C26 V30 | C26-C28 PolarHBondContact O-N 3.31Å; C28-V30 PolarHBondContact O-N 3.09Å |
| 29 | G | 44.6 | Very low | 40 | Very low | 85 Ų | 85 | 124.6 Ų | 124.6 | 88% | 0.876 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -62.3 | 13 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | R27 | R27-G29 PolarHBondContact O-N 2.98Š|
| 30 | V | 47 | Very low | 40 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | | | trans | -149.7 | 76.2 | 176.3 | -159.5 | 0 | 0 | 0 | 0 | 108.2 | C28 L32 | C28-V30 PolarHBondContact O-N 3.09Å; V30-L32 PolarHBondContact O-N 2.84Å |
| 31 | C | 37.7 | Very low | 40.4 | Very low | 46 Ų | 46 | 123.1 Ų | 123.1 | 31% | 0.311 | 70% | 0.702 | S | S | . | * | | | trans | -76.5 | 108.9 | 160.4 | -68.3 | 0 | 0 | 0 | 0 | 106.8 | | |
| 32 | L | 39.9 | Very low | 40.6 | Very low | 118 Ų | 118 | 124 Ų | 124 | 62% | 0.618 | 70% | 0.697 | S | S | * | * | | | trans | -59.3 | 138.7 | 166.7 | -86.4 | 111 | 0 | 0 | 0 | 108.3 | V30 S34 T35 | V30-L32 PolarHBondContact O-N 2.84Å; L32-S34 PolarHBondContact O-N 3.01Å; L32-T35 PolarHBondContact O-N 2.92Å; L32-T35 PolarHBondContact O-OG1 3.13Å |
| 33 | P | 41.8 | Very low | 40.8 | Very low | 103 Ų | 103 | 120.3 Ų | 120.3 | 67% | 0.669 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -6.4 | -173.5 | 22.5 | -33.1 | 0 | 0 | 0 | 114.5 | | |
| 34 | S | 37.5 | Very low | 40.9 | Very low | 110 Ų | 110 | 121.1 Ų | 121.1 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -3.6 | -175.6 | -176.2 | 0 | 0 | 0 | 0 | 115.3 | L32 | L32-S34 PolarHBondContact O-N 3.01Š|
| 35 | T | 39 | Very low | 40.9 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 67% | 0.669 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -111.5 | 5.7 | -175.5 | 59 | 0 | 0 | 0 | 0 | 114.3 | L32 | L32-T35 PolarHBondContact O-N 2.92Å; L32-T35 PolarHBondContact O-OG1 3.13Å |
| 36 | C | 37.7 | Very low | 40.9 | Very low | 46 Ų | 46 | 119.2 Ų | 119.2 | 31% | 0.311 | 68% | 0.679 | S | S | . | * | | | trans | -110.9 | 124 | 176.9 | -58.7 | 0 | 0 | 0 | 0 | 108.3 | H38 | C36-H38 PolarHBondContact O-N 3Š|
| 37 | P | 41 | Very low | 40.9 | Very low | 127 Ų | 127 | 118.2 Ų | 118.2 | 83% | 0.825 | 67% | 0.672 | S | S | * | * | | | trans | -72.9 | 16.9 | 179.6 | 33.1 | -36.2 | 0 | 0 | 0 | 112.5 | | |
| 38 | H | 38.5 | Very low | 41 | Very low | 147 Ų | 147 | 111.1 Ų | 111.1 | 68% | 0.681 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -91.2 | 138.6 | -175.4 | -58.8 | 121.4 | 0 | 0 | 0 | 110 | C36 I40 | C36-H38 PolarHBondContact O-N 3Å; H38-I40 PolarHBondContact O-N 3.03Å |
| 39 | E | 38.5 | Very low | 41.2 | Very low | 182 Ų | 182 | 115.6 Ų | 115.6 | 85% | 0.85 | 68% | 0.676 | S | S | * | * | | | trans | -49.9 | 126.2 | 177.2 | -152.1 | -171.5 | 145 | 0 | 0 | 110.6 | S41 | E39-S41 PolarHBondContact O-N 3.1Š|
| 40 | I | 43 | Very low | 41.2 | Very low | 134 Ų | 134 | 117.9 Ų | 117.9 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | | | trans | -72.4 | 87.3 | 174.4 | -59.7 | 166.5 | 0 | 0 | 0 | 106.6 | H38 L42 | H38-I40 PolarHBondContact O-N 3.03Å; I40-L42 PolarHBondContact O-N 3.49Å |
| 41 | S | 40.9 | Very low | 41.2 | Very low | 99 Ų | 99 | 115.4 Ų | 115.4 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | | | trans | -74.5 | 108.7 | 167.3 | -144.3 | 0 | 0 | 0 | 0 | 106.8 | E39 L43 | E39-S41 PolarHBondContact O-N 3.1Å; S41-L43 PolarHBondContact O-N 3Å |
| 42 | L | 42.5 | Very low | 41.6 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 72% | 0.723 | 68% | 0.676 | S | S | * | * | | | trans | -48.5 | 117 | 166.4 | -79.7 | 163.6 | 0 | 0 | 0 | 106.3 | I40 Q44 | I40-L42 PolarHBondContact O-N 3.49Å; L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 2.76Å |
| 43 | L | 42.7 | Very low | 41.9 | Very low | 117 Ų | 117 | 118 Ų | 118 | 61% | 0.613 | 68% | 0.683 | S | S | * | * | | | trans | -55.1 | 98.1 | 176.5 | -75 | 165.9 | 0 | 0 | 0 | 106.7 | S41 | S41-L43 PolarHBondContact O-N 3Š|
| 44 | Q | 40.7 | Very low | 42.2 | Very low | 169 Ų | 169 | 118.4 Ų | 118.4 | 79% | 0.79 | 69% | 0.686 | S | S | * | * | | | trans | -55.9 | 139.6 | 160.3 | -70.1 | -168.1 | -36.3 | 0 | 0 | 105.4 | L42 I46 | L42-Q44 VanDerWaalsContact C-N 3.26Å; L42-Q44 PolarHBondContact O-N 2.76Å; Q44-I46 PolarHBondContact O-N 3.32Å |
| 45 | P | 38.1 | Very low | 42.7 | Very low | 109 Ų | 109 | 115.7 Ų | 115.7 | 71% | 0.708 | 67% | 0.667 | S | S | * | * | | | trans | -49.5 | 121.5 | 179.7 | 19.5 | -30.6 | 0 | 0 | 0 | 107.2 | C47 | P45-C47 PolarHBondContact O-N 3.29Š|
| 46 | I | 42.6 | Very low | 43.1 | Very low | 146 Ų | 146 | 113.4 Ų | 113.4 | 75% | 0.749 | 66% | 0.655 | S | S | * | * | | | trans | -67 | 82.3 | 175 | -57.4 | 171.6 | 0 | 0 | 0 | 105 | Q44 C48 | Q44-I46 PolarHBondContact O-N 3.32Å; I46-C48 PolarHBondContact O-N 3.38Å |
| 47 | C | 40.5 | Very low | 43.5 | Very low | 62 Ų | 62 | 119.4 Ų | 119.4 | 42% | 0.419 | 68% | 0.676 | S | S | . | * | | | trans | -80.6 | 107.6 | 172.4 | -156.2 | 0 | 0 | 0 | 0 | 103.9 | P45 D49 C56 | P45-C47 PolarHBondContact O-N 3.29Å; C47-D49 PolarHBondContact O-N 2.83Å; C47-C56 CovalentContact SG-SG 2.06Å; C47-C56 PolarHBondContact SG-SG 2.64Å; C47-C56 WeakPolarHBondContact SG-CB 3.32Å; C47-C56 WeakPolarHBondContact CB-SG 3.39Å; C47-C56 HydrophobicContact CB-CB 4.28Å |
| 48 | C | 46.2 | Very low | 43.8 | Very low | 84 Ų | 84 | 118.3 Ų | 118.3 | 57% | 0.568 | 67% | 0.668 | S | S | * | * | | | trans | -57 | 124.2 | 173.8 | -57.3 | 0 | 0 | 0 | 0 | 108.1 | I46 T50 C51 | I46-C48 PolarHBondContact O-N 3.38Å; C48-T50 PolarHBondContact O-N 3.2Å; C48-C51 PolarHBondContact O-N 3.24Å |
| 49 | D | 44.4 | Very low | 44.3 | Very low | 176 Ų | 176 | 118 Ų | 118 | 94% | 0.941 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -46.9 | -18.4 | -177.4 | -107.3 | -60.8 | 0 | 0 | 0 | 115.1 | C47 | C47-D49 PolarHBondContact O-N 2.83Š|
| 50 | T | 45.3 | Very low | 44.7 | Very low | 133 Ų | 133 | 114.8 Ų | 114.8 | 82% | 0.816 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 3.7 | -172.6 | 32.9 | 0 | 0 | 0 | 0 | 114.8 | C48 | C48-T50 PolarHBondContact O-N 3.2Š|
| 51 | C | 46.7 | Very low | 45 | Very low | 68 Ų | 68 | 118.3 Ų | 118.3 | 46% | 0.459 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -90.2 | 123.8 | -174.5 | -145.1 | 0 | 0 | 0 | 0 | 111.9 | C48 C55 | C48-C51 PolarHBondContact O-N 3.24Å; C51-C55 HydrophobicContact CB-CB 3.75Å; C51-C55 VanDerWaalsContact CB-SG 3.54Å; C51-C55 PolarHBondContact O-SG 3.43Å; C51-C55 WeakPolarHBondContact SG-CB 3.3Å |
| 52 | P | 45.2 | Very low | 45.4 | Very low | 99 Ų | 99 | 118.9 Ų | 118.9 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 136.4 | 178.6 | 26.7 | -31.7 | 0 | 0 | 0 | 110.6 | | |
| 53 | P | 45.9 | Very low | 45.3 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 77% | 0.773 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -61.9 | 145.9 | -179.2 | 22 | -31.3 | 0 | 0 | 0 | 112.3 | | |
| 54 | P | 49.3 | Very low | 45.8 | Very low | 112 Ų | 112 | 116.9 Ų | 116.9 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | S | Bend | cis | -105.5 | 71.9 | 13.4 | 38.7 | -29.5 | 0 | 0 | 0 | 111.9 | | |
| 55 | C | 46.9 | Very low | 46.3 | Very low | 54 Ų | 54 | 115 Ų | 115 | 37% | 0.365 | 68% | 0.675 | S | S | . | * | | | trans | -72.5 | -26 | -177.8 | 52.7 | 0 | 0 | 0 | 0 | 114.4 | C51 | C51-C55 HydrophobicContact CB-CB 3.75Å; C51-C55 VanDerWaalsContact CB-SG 3.54Å; C51-C55 PolarHBondContact O-SG 3.43Å; C51-C55 WeakPolarHBondContact SG-CB 3.3Å |
| 56 | C | 49.1 | Very low | 47.1 | Very low | 61 Ų | 61 | 117.8 Ų | 117.8 | 41% | 0.412 | 67% | 0.671 | S | S | . | * | | | trans | -108.4 | 78.7 | -171.7 | -64.3 | 0 | 0 | 0 | 0 | 109.3 | C47 | C47-C56 CovalentContact SG-SG 2.06Å; C47-C56 PolarHBondContact SG-SG 2.64Å; C47-C56 WeakPolarHBondContact SG-CB 3.32Å; C47-C56 WeakPolarHBondContact CB-SG 3.39Å; C47-C56 HydrophobicContact CB-CB 4.28Å |
| 57 | K | 46.3 | Very low | 47.7 | Very low | 172 Ų | 172 | 119.2 Ų | 119.2 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 132.7 | 164.4 | -73.1 | -174.6 | 179.6 | 179.2 | 0 | 108.1 | D59 | K57-D59 PolarHBondContact O-N 3.49Š|
| 58 | P | 47.3 | Very low | 48.4 | Very low | 103 Ų | 103 | 120 Ų | 120 | 67% | 0.669 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 128.7 | 167.4 | 25.3 | -31 | 0 | 0 | 0 | 107.6 | | |
| 59 | D | 47.2 | Very low | 48.6 | Very low | 141 Ų | 141 | 119.8 Ų | 119.8 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 163.9 | 173.7 | -141.5 | -62.2 | 0 | 0 | 0 | 109.6 | K57 Y61 | K57-D59 PolarHBondContact O-N 3.49Å; D59-Y61 PolarHBondContact O-N 3.32Å |
| 60 | T | 48.3 | Very low | 49.1 | Very low | 115 Ų | 115 | 119.3 Ų | 119.3 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 127.5 | -177.7 | -52 | 0 | 0 | 0 | 0 | 108.9 | V62 | T60-V62 WeakPolarHBondContact O-CG2 3.38Å; T60-V62 PolarHBondContact O-N 2.89Å |
| 61 | Y | 48.9 | Very low | 49.4 | Very low | 207 Ų | 207 | 118 Ų | 118 | 81% | 0.812 | 67% | 0.665 | S | S | * | * | | | trans | -56.2 | 103 | 179.8 | -70.5 | -84.5 | 0 | 0 | 0 | 109.9 | D59 | D59-Y61 PolarHBondContact O-N 3.32Š|
| 62 | V | 48.8 | Very low | 49.6 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | | | trans | -84.5 | 125 | 174.1 | -171.5 | 0 | 0 | 0 | 0 | 107.2 | T60 T64 | T60-V62 WeakPolarHBondContact O-CG2 3.38Å; T60-V62 PolarHBondContact O-N 2.89Å; V62-T64 PolarHBondContact O-N 3.01Å |
| 63 | P | 41.5 | Very low | 49.8 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | | | trans | -63.7 | 110.7 | 174.8 | 25.2 | -31.9 | 0 | 0 | 0 | 109.1 | | |
| 64 | T | 53.4 | Low | 50.2 | Low | 95 Ų | 95 | 120.5 Ų | 120.5 | 58% | 0.583 | 67% | 0.668 | S | S | * | * | | | trans | -90.5 | 121.6 | 174.3 | 54.7 | 0 | 0 | 0 | 0 | 109.4 | V62 W66 | V62-T64 PolarHBondContact O-N 3.01Å; T64-W66 PolarHBondContact OG1-NE1 3.11Å |
| 65 | C | 50.3 | Low | 50.5 | Low | 131 Ų | 131 | 118.6 Ų | 118.6 | 89% | 0.885 | 66% | 0.655 | S | S | * | * | | | trans | -87.3 | 125.2 | 172.3 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 66 | W | 55.8 | Low | 50.7 | Low | 166 Ų | 166 | 119.8 Ų | 119.8 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | | | trans | -111.4 | 125.8 | 175.3 | -58.3 | 82.1 | 0 | 0 | 0 | 108.5 | T64 L68 | T64-W66 PolarHBondContact OG1-NE1 3.11Å; W66-L68 PolarHBondContact O-N 3.34Å; W66-L68 VanDerWaalsContact O-N 3.13Å |
| 67 | L | 53.9 | Low | 51.3 | Low | 177 Ų | 177 | 119.9 Ų | 119.9 | 93% | 0.927 | 67% | 0.673 | S | S | * | * | | | trans | -76.1 | 100.1 | 170.9 | -164 | 95.2 | 0 | 0 | 0 | 107.9 | N69 | L67-N69 PolarHBondContact O-N 2.99Š|
| 68 | L | 54.6 | Low | 51.5 | Low | 79 Ų | 79 | 117.2 Ų | 117.2 | 41% | 0.414 | 68% | 0.676 | S | S | . | * | | | trans | -76 | 112.7 | 174.4 | -64.8 | 174.4 | 0 | 0 | 0 | 108.4 | W66 T74 P75 | W66-L68 PolarHBondContact O-N 3.34Å; W66-L68 VanDerWaalsContact O-N 3.13Å; L68-T74 HydrophobicContact CD1-CG2 4.38Å; L68-P75 HydrophobicContact CD2-CG 4.34Å |
| 69 | N | 52.1 | Low | 51.7 | Low | 79 Ų | 79 | 116.6 Ų | 116.6 | 42% | 0.422 | 69% | 0.688 | S | S | . | * | | | trans | -77.7 | 124.5 | 169.3 | -179.4 | 2.9 | 0 | 0 | 0 | 108.6 | L67 C71 H72 | L67-N69 PolarHBondContact O-N 2.99Å; N69-C71 PolarHBondContact O-N 3.13Å; N69-C71 PolarHBondContact OD1-N 2.68Å; N69-C71 VanDerWaalsContact OD1-N 3.09Å; N69-H72 PolarHBondContact O-N 3.34Å |
| 70 | N | 53.4 | Low | 52.4 | Low | 165 Ų | 165 | 114.5 Ų | 114.5 | 88% | 0.882 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -17.3 | 177.4 | -73.9 | -26.3 | 0 | 0 | 0 | 113.9 | H72 | N70-H72 VanDerWaalsContact C-N 3.28Š|
| 71 | C | 53.1 | Low | 52.6 | Low | 105 Ų | 105 | 116.6 Ų | 116.6 | 71% | 0.709 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -10.7 | 175.7 | -58.4 | 0 | 0 | 0 | 0 | 114 | N69 | N69-C71 PolarHBondContact O-N 3.13Å; N69-C71 PolarHBondContact OD1-N 2.68Å; N69-C71 VanDerWaalsContact OD1-N 3.09Å |
| 72 | H | 50.3 | Low | 52.9 | Low | 127 Ų | 127 | 110.6 Ų | 110.6 | 59% | 0.588 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -117.6 | 139.8 | 178.7 | -60 | 106.5 | 0 | 0 | 0 | 110.1 | N69 N70 T74 | N69-H72 PolarHBondContact O-N 3.34Å; N70-H72 VanDerWaalsContact C-N 3.28Å; H72-T74 PolarHBondContact O-N 3.34Å |
| 73 | P | 49.9 | Very low | 53.1 | Low | 118 Ų | 118 | 111.5 Ų | 111.5 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 139.5 | 174.3 | 25.8 | -32.9 | 0 | 0 | 0 | 109.2 | P75 | P73-P75 VanDerWaalsContact O-N 3.14Š|
| 74 | T | 53.9 | Low | 53.8 | Low | 95 Ų | 95 | 111.2 Ų | 111.2 | 58% | 0.583 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -48.4 | 124.9 | 174.4 | -51.2 | 0 | 0 | 0 | 0 | 108.2 | L68 H72 G76 | L68-T74 HydrophobicContact CD1-CG2 4.38Å; H72-T74 PolarHBondContact O-N 3.34Å; T74-G76 PolarHBondContact O-N 2.96Å |
| 75 | P | 54.7 | Low | 53.8 | Low | 72 Ų | 72 | 115.4 Ų | 115.4 | 47% | 0.468 | 67% | 0.672 | S | S | . | * | P | Polyproline II helix | trans | -51.8 | 146.7 | 176.2 | -21.8 | 30.5 | 0 | 0 | 0 | 108.9 | L68 P73 L77 | L68-P75 HydrophobicContact CD2-CG 4.34Å; P73-P75 VanDerWaalsContact O-N 3.14Å; P75-L77 HydrophobicContact CB-CG 4.16Å; P75-L77 WeakPolarHBondContact O-CG 3.34Å; P75-L77 PolarHBondContact O-N 3.24Å |
| 76 | G | 53 | Low | 53.9 | Low | 79 Ų | 79 | 114.7 Ų | 114.7 | 81% | 0.814 | 66% | 0.664 | S | S | * | * | | | trans | -64.8 | 64 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T74 S78 | T74-G76 PolarHBondContact O-N 2.96Å; G76-S78 PolarHBondContact O-N 2.87Å; G76-S78 VanDerWaalsContact O-N 3.11Å |
| 77 | L | 60 | Low | 53.6 | Low | 63 Ų | 63 | 113.4 Ų | 113.4 | 33% | 0.33 | 67% | 0.665 | S | S | . | * | | | trans | -87.9 | 55.7 | -176.9 | -64 | 179.6 | 0 | 0 | 0 | 109.3 | P75 I80 L82 | P75-L77 HydrophobicContact CB-CG 4.16Å; P75-L77 WeakPolarHBondContact O-CG 3.34Å; P75-L77 PolarHBondContact O-N 3.24Å; L77-I80 HydrophobicContact CG-CD1 4.04Å; L77-I80 HydrophobicContact CD2-CD1 3.76Å; L77-I80 HydrophobicContact CD1-CD1 4.14Å; L77-I80 HydrophobicContact CB-CD1 3.75Å; L77-I80 HydrophobicContact CB-CG1 3.86Å; L77-L82 HydrophobicContact CB-CD1 3.95Å; L77-L82 HydrophobicContact CD1-CD1 3.87Å; L77-L82 HydrophobicContact CD1-CD2 4.18Å |
| 78 | S | 51 | Low | 53.2 | Low | 116 Ų | 116 | 109.8 Ų | 109.8 | 81% | 0.811 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.4 | 134.5 | 174.3 | 53.7 | 0 | 0 | 0 | 0 | 110.2 | G76 | G76-S78 PolarHBondContact O-N 2.87Å; G76-S78 VanDerWaalsContact O-N 3.11Å |
| 79 | G | 52.1 | Low | 53 | Low | 89 Ų | 89 | 109.3 Ų | 109.3 | 92% | 0.918 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.6 | 3.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 80 | I | 61.2 | Low | 52.9 | Low | 98 Ų | 98 | 108.7 Ų | 108.7 | 50% | 0.503 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -107.9 | 137.3 | 170.5 | 57.7 | 170.3 | 0 | 0 | 0 | 111.5 | L77 L82 | L77-I80 HydrophobicContact CG-CD1 4.04Å; L77-I80 HydrophobicContact CD2-CD1 3.76Å; L77-I80 HydrophobicContact CD1-CD1 4.14Å; L77-I80 HydrophobicContact CB-CD1 3.75Å; L77-I80 HydrophobicContact CB-CG1 3.86Å; I80-L82 HydrophobicContact CD1-CD2 3.7Å; I80-L82 HydrophobicContact CD1-CG 4.3Å; I80-L82 HydrophobicContact CG1-CD2 4.02Å; I80-L82 HydrophobicContact CG1-CG 4.1Å; I80-L82 PolarHBondContact O-N 2.06Å; I80-L82 VanDerWaalsContact O-N 3.1Å |
| 81 | N | 53 | Low | 52.8 | Low | 159 Ų | 159 | 110.2 Ų | 110.2 | 85% | 0.85 | 67% | 0.669 | S | S | * | * | | | trans | -76.3 | 98.4 | 178.4 | -161.3 | -83 | 0 | 0 | 0 | 109.2 | | |
| 82 | L | 54.7 | Low | 52.7 | Low | 81 Ų | 81 | 109 Ų | 109 | 42% | 0.424 | 66% | 0.662 | S | S | . | * | | | trans | -89.1 | 125.9 | 179.1 | -65.3 | 176.2 | 0 | 0 | 0 | 110.2 | L77 I80 | L77-L82 HydrophobicContact CB-CD1 3.95Å; L77-L82 HydrophobicContact CD1-CD1 3.87Å; L77-L82 HydrophobicContact CD1-CD2 4.18Å; I80-L82 HydrophobicContact CD1-CD2 3.7Å; I80-L82 HydrophobicContact CD1-CG 4.3Å; I80-L82 HydrophobicContact CG1-CD2 4.02Å; I80-L82 HydrophobicContact CG1-CG 4.1Å; I80-L82 PolarHBondContact O-N 2.06Å; I80-L82 VanDerWaalsContact O-N 3.1Å |
| 83 | T | 54 | Low | 52.8 | Low | 131 Ų | 131 | 108.4 Ų | 108.4 | 80% | 0.804 | 67% | 0.669 | S | S | * | * | | | trans | -96.3 | 107.3 | 162.9 | -54.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 84 | T | 56.3 | Low | 52.8 | Low | 110 Ų | 110 | 107.9 Ų | 107.9 | 68% | 0.675 | 67% | 0.667 | S | S | * | * | | | trans | -83.6 | 122.5 | 174.2 | 49.7 | 0 | 0 | 0 | 0 | 109 | | |
| 85 | Y | 53.1 | Low | 52.5 | Low | 183 Ų | 183 | 111.5 Ų | 111.5 | 72% | 0.718 | 68% | 0.677 | S | S | * | * | | | trans | -108.7 | 111.5 | 170.6 | -177 | -100.5 | 0 | 0 | 0 | 108.4 | Q87 P88 | Y85-Q87 HydrophobicContact CE1-CB 4.39Å; Y85-P88 WeakPolarHBondContact OH-CD 3.12Å |
| 86 | V | 52.6 | Low | 52 | Low | 116 Ų | 116 | 114 Ų | 114 | 70% | 0.703 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 119.7 | 169.8 | -178.1 | 0 | 0 | 0 | 0 | 106.6 | P88 | V86-P88 VanDerWaalsContact O-CD 3.3Å; V86-P88 WeakPolarHBondContact O-CD 3.26Å |
| 87 | Q | 48.9 | Very low | 51.6 | Low | 139 Ų | 139 | 121.9 Ų | 121.9 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 118.9 | 178 | -169.7 | 174.5 | -61.8 | 0 | 0 | 109.2 | Y85 G89 C90 | Y85-Q87 HydrophobicContact CE1-CB 4.39Å; Q87-G89 PolarHBondContact O-N 3.47Å; Q87-C90 PolarHBondContact O-N 2.7Å |
| 88 | P | 45.9 | Very low | 50.8 | Low | 102 Ų | 102 | 128.8 Ų | 128.8 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | 129.1 | 178.4 | 23.4 | -30.2 | 0 | 0 | 0 | 109.3 | Y85 V86 | Y85-P88 WeakPolarHBondContact OH-CD 3.12Å; V86-P88 VanDerWaalsContact O-CD 3.3Å; V86-P88 WeakPolarHBondContact O-CD 3.26Å |
| 89 | G | 50.8 | Low | 50.7 | Low | 68 Ų | 68 | 129.4 Ų | 129.4 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.5 | -6.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q87 E91 | Q87-G89 PolarHBondContact O-N 3.47Å; G89-E91 VanDerWaalsContact C-N 3.34Å |
| 90 | C | 49.6 | Very low | 50.7 | Low | 66 Ų | 66 | 131.5 Ų | 131.5 | 45% | 0.446 | 74% | 0.738 | S | S | . | * | | | trans | -96 | 43.3 | 169.6 | -100.2 | 0 | 0 | 0 | 0 | 112.1 | Q87 S92 C94 | Q87-C90 PolarHBondContact O-N 2.7Å; C90-S92 PolarHBondContact O-N 2.78Å; C90-C94 VanDerWaalsContact SG-SG 3.68Å |
| 91 | E | 50.2 | Low | 50.1 | Low | 197 Ų | 197 | 133.4 Ų | 133.4 | 92% | 0.921 | 75% | 0.751 | S | S | * | * | | | trans | -71.3 | -7.5 | 175.7 | -66.1 | -172.2 | 121.1 | 0 | 0 | 113.1 | G89 | G89-E91 VanDerWaalsContact C-N 3.34Š|
| 92 | S | 51.3 | Low | 49.9 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 57% | 0.566 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -117.9 | 143.9 | 172.3 | 47.1 | 0 | 0 | 0 | 0 | 109.9 | C90 C94 | C90-S92 PolarHBondContact O-N 2.78Å; S92-C94 PolarHBondContact O-N 3.06Å |
| 93 | P | 51.6 | Low | 49.6 | Very low | 113 Ų | 113 | 135.1 Ų | 135.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -54.3 | 131.5 | 171.1 | 22.4 | -31.3 | 0 | 0 | 0 | 108.9 | E95 | P93-E95 PolarHBondContact O-N 2.79Š|
| 94 | C | 50.1 | Low | 49.3 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | trans | -56.5 | 99.5 | 178.6 | -57.3 | 0 | 0 | 0 | 0 | 109.4 | C90 S92 | C90-C94 VanDerWaalsContact SG-SG 3.68Å; S92-C94 PolarHBondContact O-N 3.06Å |
| 95 | E | 48.8 | Very low | 48.8 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -71 | 126.8 | 174.1 | -73.3 | -152 | 129.9 | 0 | 0 | 109.2 | P93 R97 | P93-E95 PolarHBondContact O-N 2.79Å; E95-R97 PolarHBondContact O-N 3.19Å |
| 96 | P | 42.8 | Very low | 48.5 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 118.4 | 172.3 | 26.7 | -31.1 | 0 | 0 | 0 | 108.3 | | |
| 97 | R | 45.4 | Very low | 48.2 | Very low | 244 Ų | 244 | 135.1 Ų | 135.1 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 123.8 | 173.4 | -60 | -168.4 | 74.2 | -176 | 2.5 | 109 | E95 | E95-R97 PolarHBondContact O-N 3.19Š|
| 98 | C | 42.5 | Very low | 48.1 | Very low | 207 Ų | 207 | 134.7 Ų | 134.7 | 100% | 1.399 | 79% | 0.79 | S | S | * | * | | | trans | -66.9 | 0 | 174.3 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | | |