| 1 | T | 36.6 | Very low | 34.7 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 100% | 1.135 | 77% | 0.773 | S | S | * | * | | | | 0 | 94.5 | 0 | -40.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 2 | S | 35.9 | Very low | 34.5 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | | | | 77.5 | 130.2 | 70.8 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 3 | Y | 32.6 | Very low | 34.5 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | | | cis | -156.1 | 138.1 | 0.8 | -138.8 | -72.9 | 0 | 0 | 0 | 108.2 | R5 | Y3-R5 HydrophobicContact CD1-CB 3.9Å; Y3-R5 HydrophobicContact CD1-CG 4.47Å; Y3-R5 HydrophobicContact CE1-CB 4.02Å; Y3-R5 HydrophobicContact CE1-CG 4.08Å |
| 4 | S | 35.8 | Very low | 34.5 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | | | trans | -123.2 | 108.6 | 161.2 | -170.2 | 0 | 0 | 0 | 0 | 107.7 | | |
| 5 | R | 37.4 | Very low | 34.5 | Very low | 186 Ų | 186 | 151.3 Ų | 151.3 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | | | trans | -104.5 | 93.2 | -172.5 | -162.4 | -177.2 | -62 | -174.4 | 1.2 | 108.8 | Y3 F7 | Y3-R5 HydrophobicContact CD1-CB 3.9Å; Y3-R5 HydrophobicContact CD1-CG 4.47Å; Y3-R5 HydrophobicContact CE1-CB 4.02Å; Y3-R5 HydrophobicContact CE1-CG 4.08Å; R5-F7 PolarHBondContact O-N 2.89Å |
| 6 | Y | 35.8 | Very low | 34.6 | Very low | 202 Ų | 202 | 150.6 Ų | 150.6 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | trans | -59.6 | 127.6 | 169.5 | -72.6 | -91.2 | 0 | 0 | 0 | 109.2 | | |
| 7 | F | 31.6 | Very low | 34.7 | Very low | 192 Ų | 192 | 152.3 Ų | 152.3 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | -99.2 | 93 | 179.5 | -162.3 | -85.8 | 0 | 0 | 0 | 108.9 | R5 P9 | R5-F7 PolarHBondContact O-N 2.89Å; F7-P9 WeakPolarHBondContact O-CD 3.32Å |
| 8 | T | 34.6 | Very low | 34.6 | Very low | 121 Ų | 121 | 151 Ų | 151 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | trans | -80.7 | 117.3 | 173.6 | 40 | 0 | 0 | 0 | 0 | 109.8 | S10 | T8-S10 PolarHBondContact O-N 2.78Å; T8-S10 VanDerWaalsContact O-N 3.12Å |
| 9 | P | 36.7 | Very low | 34.5 | Very low | 109 Ų | 109 | 149.6 Ų | 149.6 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | | | trans | -69.9 | 109.8 | 171.1 | 28.5 | -32 | 0 | 0 | 0 | 109 | F7 V11 | F7-P9 WeakPolarHBondContact O-CD 3.32Å; P9-V11 PolarHBondContact O-N 3.12Å |
| 10 | S | 30.4 | Very low | 34.4 | Very low | 103 Ų | 103 | 147.2 Ų | 147.2 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -68.9 | 118.9 | 171.2 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | T8 N12 | T8-S10 PolarHBondContact O-N 2.78Å; T8-S10 VanDerWaalsContact O-N 3.12Å; S10-N12 PolarHBondContact O-N 3.08Å |
| 11 | V | 34.5 | Very low | 34.2 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | | | trans | -80.2 | 97.7 | 174 | -179.2 | 0 | 0 | 0 | 0 | 108 | P9 E13 | P9-V11 PolarHBondContact O-N 3.12Å; V11-E13 PolarHBondContact O-N 2.92Å |
| 12 | N | 32.3 | Very low | 34 | Very low | 132 Ų | 132 | 141.6 Ų | 141.6 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -71.5 | 117.9 | 169.9 | -78.9 | -18.1 | 0 | 0 | 0 | 109.5 | S10 W14 | S10-N12 PolarHBondContact O-N 3.08Å; N12-W14 PolarHBondContact O-N 2.88Å; N12-W14 VanDerWaalsContact O-N 3.12Å |
| 13 | E | 34.5 | Very low | 34 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | | | trans | -65 | 109 | 169.2 | -71.1 | -171.5 | 106.5 | 0 | 0 | 110.6 | V11 | V11-E13 PolarHBondContact O-N 2.92Š|
| 14 | W | 33.8 | Very low | 33.8 | Very low | 225 Ų | 225 | 138.9 Ų | 138.9 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | | | trans | -108 | 96.5 | 159 | -93.5 | 39 | 0 | 0 | 0 | 108.2 | N12 L16 | N12-W14 PolarHBondContact O-N 2.88Å; N12-W14 VanDerWaalsContact O-N 3.12Å; W14-L16 VanDerWaalsContact C-N 3.34Å; W14-L16 PolarHBondContact O-N 3.02Å |
| 15 | S | 35 | Very low | 33.5 | Very low | 122 Ų | 122 | 142.1 Ų | 142.1 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | trans | -72.4 | 86.5 | -179 | -164.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 16 | L | 36.1 | Very low | 33.2 | Very low | 141 Ų | 141 | 141.7 Ų | 141.7 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | -91 | 106.2 | 173 | -81.6 | 170.1 | 0 | 0 | 0 | 109.8 | W14 V18 | W14-L16 VanDerWaalsContact C-N 3.34Å; W14-L16 PolarHBondContact O-N 3.02Å; L16-V18 PolarHBondContact O-N 3.34Å |
| 17 | Q | 36 | Very low | 33 | Very low | 179 Ų | 179 | 138 Ų | 138 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | | | trans | -77.5 | 85.2 | -172.4 | -165.3 | 161.9 | 13.4 | 0 | 0 | 112 | V19 | Q17-V19 PolarHBondContact O-N 3.25Å; Q17-V19 VanDerWaalsContact O-N 3.15Å |
| 18 | V | 32.5 | Very low | 33 | Very low | 129 Ų | 129 | 137.7 Ų | 137.7 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | -73.7 | 101.2 | 176.4 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | L16 S20 | L16-V18 PolarHBondContact O-N 3.34Å; V18-S20 PolarHBondContact O-N 2.84Å |
| 19 | V | 33.8 | Very low | 32.8 | Very low | 125 Ų | 125 | 137.4 Ų | 137.4 | 76% | 0.758 | 79% | 0.787 | S | S | * | * | | | trans | -77.4 | 98.2 | 171.2 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | Q17 A21 | Q17-V19 PolarHBondContact O-N 3.25Å; Q17-V19 VanDerWaalsContact O-N 3.15Å; V19-A21 PolarHBondContact O-N 3.38Å |
| 20 | S | 31.5 | Very low | 32.6 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | | | trans | -79.1 | 77.9 | 176.8 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | V18 V22 | V18-S20 PolarHBondContact O-N 2.84Å; S20-V22 PolarHBondContact O-N 3.16Å |
| 21 | A | 30.9 | Very low | 32.7 | Very low | 88 Ų | 88 | 141.5 Ų | 141.5 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | trans | -70.1 | 106.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V19 P23 | V19-A21 PolarHBondContact O-N 3.38Å; A21-P23 WeakPolarHBondContact O-CD 3.41Å |
| 22 | V | 31.8 | Very low | 32.3 | Very low | 127 Ų | 127 | 140.7 Ų | 140.7 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | | | trans | -89.7 | 114.4 | 179.4 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | S20 S24 | S20-V22 PolarHBondContact O-N 3.16Å; V22-S24 PolarHBondContact O-N 3.49Å; V22-S24 VanDerWaalsContact O-N 3.15Å |
| 23 | P | 36.5 | Very low | 32.3 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | | | trans | -76.6 | 100.9 | 173.3 | 30.4 | -32.7 | 0 | 0 | 0 | 110.4 | A21 L25 | A21-P23 WeakPolarHBondContact O-CD 3.41Å; P23-L25 PolarHBondContact O-N 3.15Å |
| 24 | S | 27.8 | Very low | 33 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | trans | -71.4 | 116.9 | 173.1 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | V22 | V22-S24 PolarHBondContact O-N 3.49Å; V22-S24 VanDerWaalsContact O-N 3.15Å |
| 25 | L | 31.1 | Very low | 32.7 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -102 | 102.5 | 168.6 | -78.2 | 174 | 0 | 0 | 0 | 109.8 | P23 S27 | P23-L25 PolarHBondContact O-N 3.15Å; L25-S27 PolarHBondContact O-N 3.42Å |
| 26 | Q | 29.8 | Very low | 32.7 | Very low | 178 Ų | 178 | 135.4 Ų | 135.4 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | | | trans | -75.2 | 107.5 | 175.8 | -66.6 | 176.5 | -42.8 | 0 | 0 | 110.8 | Q28 | Q26-Q28 PolarHBondContact O-N 3.43Š|
| 27 | S | 30.8 | Very low | 32.4 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -76.6 | 112 | 162.9 | -69.8 | 0 | 0 | 0 | 0 | 109.7 | L25 S29 | L25-S27 PolarHBondContact O-N 3.42Å; S27-S29 PolarHBondContact O-N 2.92Å |
| 28 | Q | 32.6 | Very low | 32.8 | Very low | 187 Ų | 187 | 129.7 Ų | 129.7 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -69.5 | 130.1 | 175.4 | -73.3 | -174.7 | -34.9 | 0 | 0 | 111.3 | Q26 | Q26-Q28 PolarHBondContact O-N 3.43Š|
| 29 | S | 31.3 | Very low | 32.5 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -91.9 | 138.3 | 168.4 | -174.2 | 0 | 0 | 0 | 0 | 110.2 | S27 | S27-S29 PolarHBondContact O-N 2.92Š|
| 30 | S | 31.8 | Very low | 32.1 | Very low | 115 Ų | 115 | 131.6 Ų | 131.6 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -127.2 | 127 | 173.9 | -75 | 0 | 0 | 0 | 0 | 110 | | |
| 31 | Q | 32.4 | Very low | 32 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | -82 | 154.5 | -177.3 | -59 | 171.8 | -72.8 | 0 | 0 | 112.1 | | |
| 32 | S | 26.5 | Very low | 31.9 | Very low | 116 Ų | 116 | 134.5 Ų | 134.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | -143 | 159.1 | 140.7 | 82.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 33 | T | 31.4 | Very low | 31.7 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 73% | 0.73 | 80% | 0.796 | S | S | * | * | | | trans | -126.3 | -166.5 | -173.5 | 68.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 34 | P | 49.8 | Very low | 31.2 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | | | | -123.7 | 178.8 | -125.4 | 25.3 | -0.1 | 0 | 0 | 0 | 116.9 | | |
| 35 | K | 28.2 | Very low | 31.2 | Very low | 205 Ų | 205 | 133.3 Ų | 133.3 | 89% | 0.891 | 80% | 0.801 | S | S | * | * | | | trans | 72.1 | 164.2 | 169.9 | -107.6 | -178.9 | 175.9 | 177.8 | 0 | 115.7 | | |
| 36 | P | 34.5 | Very low | 31.1 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | cis | -130.6 | -167.6 | -8.5 | 42.7 | -26 | 0 | 0 | 0 | 114.6 | | |
| 37 | A | 28.5 | Very low | 31.2 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | | | trans | -120.3 | -179 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 38 | P | 44.6 | Very low | 31.2 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | cis | -142 | -153.3 | 7.3 | 33.2 | -6.4 | 0 | 0 | 0 | 114.7 | | |
| 39 | Q | 27.1 | Very low | 30.9 | Very low | 171 Ų | 171 | 128.2 Ų | 128.2 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | | | trans | 81.4 | 153.2 | 163.2 | -60.7 | -164.7 | -1.9 | 0 | 0 | 118.6 | | |
| 40 | V | 25.7 | Very low | 30.8 | Very low | 124 Ų | 124 | 130.4 Ų | 130.4 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | | | cis | -145 | 137 | -7 | -111.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 41 | S | 29.5 | Very low | 31.1 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | | | | 83 | 119.3 | 70.8 | -168.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 42 | T | 27.6 | Very low | 31.6 | Very low | 146 Ų | 146 | 126.1 Ų | 126.1 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | | | trans | -172.3 | 112.5 | 138.8 | 11.1 | 0 | 0 | 0 | 0 | 114.4 | | |
| 43 | G | 27.6 | Very low | 31.9 | Very low | 79 Ų | 79 | 126.6 Ų | 126.6 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | | | trans | 68.1 | 152.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 44 | S | 27.6 | Very low | 31.6 | Very low | 112 Ų | 112 | 124.3 Ų | 124.3 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | | | cis | -166.3 | 152 | -15.7 | -167.9 | 0 | 0 | 0 | 0 | 113.5 | | |
| 45 | T | 26.8 | Very low | 30.6 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | | | trans | 86.8 | 137.8 | 152.6 | -45.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 46 | A | 28.1 | Very low | 30.4 | Very low | 85 Ų | 85 | 119.4 Ų | 119.4 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | | | trans | 65.5 | 114.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 47 | Q | 33.7 | Very low | 30.1 | Very low | 157 Ų | 157 | 121.5 Ų | 121.5 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | | | cis | 69.9 | 138.1 | 17 | -61.6 | -171.4 | -16.6 | 0 | 0 | 115.8 | | |
| 48 | F | 29.2 | Very low | 30.2 | Very low | 173 Ų | 173 | 122.6 Ų | 122.6 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | cis | -153.8 | 172.3 | 4.6 | -103.4 | -45.1 | 0 | 0 | 0 | 109.2 | | |
| 49 | E | 27.5 | Very low | 29.5 | Very low | 131 Ų | 131 | 124.1 Ų | 124.1 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | | | cis | -148.5 | 147.5 | -4.7 | -143.4 | -151.3 | 167.9 | 0 | 0 | 109.1 | | |
| 50 | K | 28.5 | Very low | 29.9 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | | | trans | 57.1 | 132.7 | 134.1 | -171.2 | 174.7 | -179.7 | 179.1 | 0 | 124 | | |
| 51 | A | 38.8 | Very low | 30.6 | Very low | 91 Ų | 91 | 125.2 Ų | 125.2 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | | | trans | -103.8 | 161.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 52 | P | 43 | Very low | 30.5 | Very low | 117 Ų | 117 | 123.3 Ų | 123.3 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | trans | -144.7 | 150.1 | 143.9 | 37.6 | -22.4 | 0 | 0 | 0 | 117.4 | | |
| 53 | S | 31.3 | Very low | 30.4 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 88% | 0.881 | 76% | 0.761 | S | S | * | * | | | trans | -11.2 | 148.4 | 148.5 | -163.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 54 | G | 27 | Very low | 30.4 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 76% | 0.759 | S | S | * | * | | | trans | 92.5 | 161.9 | 157.9 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 55 | S | 27.2 | Very low | 30.4 | Very low | 101 Ų | 101 | 125.3 Ų | 125.3 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | cis | -167.2 | 153.4 | -8.2 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 56 | T | 24.7 | Very low | 30.5 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | | | trans | 57.2 | 132.5 | 149.5 | 40.2 | 0 | 0 | 0 | 0 | 123.6 | | |
| 57 | M | 27.6 | Very low | 30.5 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 79% | 0.788 | 76% | 0.756 | S | S | * | * | | | trans | 76.8 | 112.8 | 134.1 | -66.2 | -81.4 | -85.4 | 0 | 0 | 122.2 | | |
| 58 | T | 32 | Very low | 30.2 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | | | | 55.5 | 114.3 | 119 | -50.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 59 | T | 30.2 | Very low | 29.9 | Very low | 143 Ų | 143 | 122.4 Ų | 122.4 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | | | trans | -163.6 | 138.5 | 130.3 | 6.4 | 0 | 0 | 0 | 0 | 115 | | |
| 60 | K | 33.5 | Very low | 29.8 | Very low | 195 Ų | 195 | 120 Ų | 120 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | | | trans | -95.8 | 174.5 | 148.2 | -86.6 | -177.7 | 177.4 | 178.9 | 0 | 107.4 | | |
| 61 | P | 40.3 | Very low | 29.6 | Very low | 123 Ų | 123 | 116.5 Ų | 116.5 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | cis | -120.5 | -166.5 | 10.6 | 36.7 | -16.1 | 0 | 0 | 0 | 112 | | |
| 62 | G | 28.6 | Very low | 29 | Very low | 62 Ų | 62 | 119.4 Ų | 119.4 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | cis | 97.9 | 139.3 | 12.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 63 | V | 25.3 | Very low | 28.4 | Very low | 149 Ų | 149 | 117.4 Ų | 117.4 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | | | trans | 111.2 | 131.8 | -167.7 | 167.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 64 | V | 27.6 | Very low | 28.5 | Very low | 127 Ų | 127 | 116.8 Ų | 116.8 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | cis | -153.4 | 176 | 0.8 | 98.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 65 | T | 28.2 | Very low | 28.5 | Very low | 104 Ų | 104 | 121.1 Ų | 121.1 | 64% | 0.638 | 79% | 0.785 | S | S | * | * | | | trans | -59.4 | 146.7 | -171.8 | 50 | 0 | 0 | 0 | 0 | 123.8 | | |
| 66 | M | 28.6 | Very low | 28.7 | Very low | 177 Ų | 177 | 121.9 Ų | 121.9 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | | | | 70.7 | 146.5 | 121.3 | -61.9 | -72.3 | 177.5 | 0 | 0 | 125.7 | | |
| 67 | A | 27.7 | Very low | 28.9 | Very low | 86 Ų | 86 | 122.4 Ų | 122.4 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 92.2 | 130.1 | 137.8 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 68 | V | 26.6 | Very low | 29 | Very low | 149 Ų | 149 | 119.5 Ų | 119.5 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | | | trans | 63.6 | 148.5 | 154.9 | 177.4 | 0 | 0 | 0 | 0 | 116.6 | | |
| 69 | G | 24.5 | Very low | 28.8 | Very low | 69 Ų | 69 | 117.8 Ų | 117.8 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | cis | 149.3 | 90.6 | -10.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 70 | G | 24.4 | Very low | 29 | Very low | 81 Ų | 81 | 115.9 Ų | 115.9 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | | | trans | 76.3 | 175.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 71 | A | 24.9 | Very low | 29.1 | Very low | 87 Ų | 87 | 111.5 Ų | 111.5 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | cis | -169.5 | 144.9 | -24.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 72 | T | 26.4 | Very low | 28.7 | Very low | 151 Ų | 151 | 110.2 Ų | 110.2 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | | | trans | 61.9 | 151 | 169.3 | 56.7 | 0 | 0 | 0 | 0 | 118.3 | | |
| 73 | G | 30.3 | Very low | 28.8 | Very low | 75 Ų | 75 | 117 Ų | 117 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | cis | 174.7 | -175.5 | 2.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 74 | S | 32.5 | Very low | 29 | Very low | 113 Ų | 113 | 114.1 Ų | 114.1 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | cis | -164.7 | 14.7 | -6.2 | -160.6 | 0 | 0 | 0 | 0 | 117.7 | V76 | S74-V76 PolarHBondContact O-N 3.34Š|
| 75 | D | 26.6 | Very low | 29.1 | Very low | 163 Ų | 163 | 111.5 Ų | 111.5 | 87% | 0.872 | 80% | 0.795 | S | S | * | * | | | trans | -61.1 | 115.3 | -177.3 | -75.6 | -45.9 | 0 | 0 | 0 | 112 | | |
| 76 | V | 32.6 | Very low | 29.1 | Very low | 116 Ų | 116 | 112.9 Ų | 112.9 | 70% | 0.703 | 80% | 0.803 | S | S | * | * | | | | 73.6 | 113.2 | 65.2 | 178 | 0 | 0 | 0 | 0 | 110.7 | S74 | S74-V76 PolarHBondContact O-N 3.34Š|
| 77 | T | 28.5 | Very low | 29.1 | Very low | 128 Ų | 128 | 109.6 Ų | 109.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | cis | -149.1 | 160 | 40.2 | -33.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 78 | A | 30 | Very low | 28.9 | Very low | 99 Ų | 99 | 109 Ų | 109 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | 2.7 | 145.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 79 | G | 28.1 | Very low | 28.9 | Very low | 76 Ų | 76 | 110.1 Ų | 110.1 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | | | cis | 148.5 | 172.9 | -1.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 80 | A | 34.8 | Very low | 29 | Very low | 104 Ų | 104 | 112.9 Ų | 112.9 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | | | cis | -176.7 | 152.4 | -21.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 81 | A | 35.5 | Very low | 29.4 | Very low | 102 Ų | 102 | 114.4 Ų | 114.4 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | cis | -123.6 | -103.3 | -11.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 82 | A | 30.4 | Very low | 30.2 | Very low | 96 Ų | 96 | 115.7 Ų | 115.7 | 79% | 0.793 | 80% | 0.797 | S | S | * | * | | | cis | -165.8 | 152 | -10 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 83 | K | 32.1 | Very low | 30 | Very low | 205 Ų | 205 | 118 Ų | 118 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | | | cis | -158.8 | 155.7 | -22.7 | -179.8 | 172.2 | 176.7 | -178.5 | 0 | 110 | | |
| 84 | A | 29.3 | Very low | 29.8 | Very low | 89 Ų | 89 | 119.4 Ų | 119.4 | 74% | 0.736 | 80% | 0.798 | S | S | * | * | | | trans | -61.9 | -175.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 85 | G | 28.8 | Very low | 29.5 | Very low | 71 Ų | 71 | 122 Ų | 122 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | | | cis | 145.2 | 177.2 | 13.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 86 | T | 28.1 | Very low | 29.9 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 82% | 0.816 | 79% | 0.788 | S | S | * | * | | | cis | -166.5 | 157.3 | -4.6 | -62.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 87 | A | 28.5 | Very low | 29.6 | Very low | 108 Ų | 108 | 120.7 Ų | 120.7 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | | | trans | 68.8 | 164.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 88 | G | 24.8 | Very low | 29.4 | Very low | 75 Ų | 75 | 118.4 Ų | 118.4 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | cis | -170.4 | -160.8 | -0.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 89 | K | 26.7 | Very low | 29 | Very low | 172 Ų | 172 | 118.4 Ų | 118.4 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | cis | -167.5 | 165.6 | -6.2 | -163 | -177.3 | 167.6 | -74.2 | 0 | 108.8 | | |
| 90 | D | 25.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | | | trans | 71.2 | 129.4 | 161.2 | -62.3 | -42.1 | 0 | 0 | 0 | 122.3 | | |
| 91 | S | 32.5 | Very low | 28.5 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | | | trans | -109.8 | 169.2 | 155.5 | -35.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 92 | P | 42.7 | Very low | 28.2 | Very low | 115 Ų | 115 | 122 Ų | 122 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | | -162.6 | 173.4 | 68.8 | 44.8 | -23.3 | 0 | 0 | 0 | 119.3 | | |
| 93 | K | 22.8 | Very low | 28.1 | Very low | 200 Ų | 200 | 125.6 Ų | 125.6 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | | | trans | 56.3 | 111.3 | 133.9 | -178.1 | -174.1 | -178.3 | -179.9 | 0 | 121.2 | | |
| 94 | A | 26.2 | Very low | 27.8 | Very low | 103 Ų | 103 | 121.5 Ų | 121.5 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | | | | -161.6 | 146 | 128.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 95 | K | 26.3 | Very low | 27.6 | Very low | 168 Ų | 168 | 126.1 Ų | 126.1 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | | | trans | -126 | 138 | 167.3 | 166 | -178.5 | 179.9 | -142.5 | 0 | 104.2 | E97 | K95-E97 WeakPolarHBondContact CE-OE2 3.3Å; K95-E97 IonicContact NZ-OE2 3.07Å; K95-E97 PolarHBondContact NZ-OE2 3.01Å |
| 96 | P | 34.6 | Very low | 27.6 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 77% | 0.767 | S | S | * | * | | | | -157.6 | 178.9 | 81.2 | 44.3 | -22.1 | 0 | 0 | 0 | 120 | | |
| 97 | E | 24.7 | Very low | 27.4 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 67% | 0.668 | 76% | 0.763 | S | S | * | * | | | trans | -12.5 | 163.7 | 147.8 | -69.4 | 142.3 | 93.8 | 0 | 0 | 120.3 | K95 | K95-E97 WeakPolarHBondContact CE-OE2 3.3Å; K95-E97 IonicContact NZ-OE2 3.07Å; K95-E97 PolarHBondContact NZ-OE2 3.01Å |
| 98 | A | 24.5 | Very low | 27.2 | Very low | 79 Ų | 79 | 125.8 Ų | 125.8 | 65% | 0.653 | 75% | 0.752 | S | S | * | * | | | cis | -177.8 | 163.7 | -21.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 99 | S | 22.3 | Very low | 27.4 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 70% | 0.699 | 75% | 0.753 | S | S | * | * | | | trans | 76.3 | 142 | 145.7 | 91.1 | 0 | 0 | 0 | 0 | 121 | | |
| 100 | L | 26 | Very low | 27.6 | Very low | 178 Ų | 178 | 127.8 Ų | 127.8 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | | | trans | 65.4 | 151.6 | 149.5 | -62 | 171 | 0 | 0 | 0 | 120 | | |
| 101 | G | 26.2 | Very low | 28.3 | Very low | 67 Ų | 67 | 127.7 Ų | 127.7 | 69% | 0.691 | 76% | 0.763 | S | S | * | * | | | trans | -154.2 | 175.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 102 | S | 29.3 | Very low | 28.1 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -165.6 | 126.7 | 175.7 | -85.7 | 0 | 0 | 0 | 0 | 107.9 | | |
| 103 | Q | 28.7 | Very low | 27.2 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | | | | 80.9 | 160.7 | 69.7 | -79.6 | -82.4 | 7.1 | 0 | 0 | 113.3 | | |
| 104 | V | 24.9 | Very low | 27.4 | Very low | 119 Ų | 119 | 120.2 Ų | 120.2 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | | | trans | 77.8 | 133.1 | 168.2 | -166.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 105 | K | 25.3 | Very low | 27.3 | Very low | 186 Ų | 186 | 121.6 Ų | 121.6 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | | | cis | -153.3 | 147.6 | 8 | -126.3 | 161.9 | -170.9 | 174.8 | 0 | 112.5 | | |
| 106 | A | 28.3 | Very low | 27.2 | Very low | 92 Ų | 92 | 118.3 Ų | 118.3 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | | 46.3 | 155.2 | 119.1 | 0 | 0 | 0 | 0 | 0 | 123.9 | | |
| 107 | S | 24.4 | Very low | 26.7 | Very low | 104 Ų | 104 | 117.7 Ų | 117.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | cis | -177.4 | 179.8 | -15.9 | -175.4 | 0 | 0 | 0 | 0 | 111.6 | | |
| 108 | V | 25.4 | Very low | 26.7 | Very low | 109 Ų | 109 | 117.1 Ų | 117.1 | 66% | 0.661 | 77% | 0.774 | S | S | * | * | | | trans | 83.1 | 139.1 | 153.1 | -118 | 0 | 0 | 0 | 0 | 124.3 | | |
| 109 | H | 27.5 | Very low | 26.7 | Very low | 173 Ų | 173 | 120.2 Ų | 120.2 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | | | trans | 88.4 | 121.5 | 151.1 | -63.9 | 127.4 | 0 | 0 | 0 | 122.7 | | |
| 110 | S | 32.1 | Very low | 26.8 | Very low | 115 Ų | 115 | 119.6 Ų | 119.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | trans | -104.9 | 150.9 | 146.1 | -44.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 111 | P | 39.9 | Very low | 26.7 | Very low | 126 Ų | 126 | 119.6 Ų | 119.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | | -151 | -168.2 | 110.6 | 36.1 | -17.3 | 0 | 0 | 0 | 112.5 | | |
| 112 | A | 27.3 | Very low | 26.6 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | | -170.4 | 166 | -50.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 113 | A | 25.5 | Very low | 26.4 | Very low | 109 Ų | 109 | 127.1 Ų | 127.1 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | 64.8 | 162.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 114 | G | 25.1 | Very low | 26.7 | Very low | 70 Ų | 70 | 123.6 Ų | 123.6 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | cis | 161 | 168.5 | -3.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 115 | T | 24.8 | Very low | 26.5 | Very low | 133 Ų | 133 | 126 Ų | 126 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | | | cis | -169.7 | 137 | -11.3 | -75.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 116 | A | 24.1 | Very low | 26.5 | Very low | 99 Ų | 99 | 122.9 Ų | 122.9 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | 65.8 | 171.5 | 168.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 117 | A | 24.2 | Very low | 26.2 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 79% | 0.793 | 78% | 0.781 | S | S | * | * | | | cis | -150.3 | 176.2 | 10.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 118 | T | 24.3 | Very low | 26.2 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | trans | -69.2 | 156 | -175.4 | 47.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 119 | T | 25 | Very low | 26.2 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | 166.1 | 141.2 | 139.1 | -73.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 120 | A | 25.3 | Very low | 26.1 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | | | cis | -118.3 | -169.6 | -12.3 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 121 | E | 22.7 | Very low | 25.8 | Very low | 177 Ų | 177 | 122.5 Ų | 122.5 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | cis | 78.2 | 102.8 | 11.4 | -169.8 | 153.7 | -137.7 | 0 | 0 | 120.6 | | |
| 122 | T | 23.9 | Very low | 24.9 | Very low | 146 Ų | 146 | 122 Ų | 122 | 90% | 0.896 | 78% | 0.775 | S | S | * | * | | | trans | -164.2 | 142.5 | 133.2 | 1.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 123 | K | 26.8 | Very low | 24.7 | Very low | 190 Ų | 190 | 123.8 Ų | 123.8 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | | | trans | -110.4 | 178.7 | 160.1 | -137.6 | -168.8 | 167.8 | -179.5 | 0 | 105.7 | | |
| 124 | P | 33.7 | Very low | 24.6 | Very low | 99 Ų | 99 | 124.3 Ų | 124.3 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | | | cis | -144.8 | -173.8 | -1.4 | 42.1 | -21.1 | 0 | 0 | 0 | 117.2 | | |
| 125 | K | 21.4 | Very low | 24.5 | Very low | 171 Ų | 171 | 127.1 Ų | 127.1 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | | | trans | 57.8 | 133.2 | 138.1 | -92.1 | -169.4 | 163.4 | -95.7 | 0 | 123 | | |
| 126 | D | 24 | Very low | 24.5 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 64% | 0.642 | 77% | 0.77 | S | S | * | * | | | | 42.2 | 145.2 | 123.4 | -61 | -30.3 | 0 | 0 | 0 | 122.9 | | |
| 127 | A | 23.8 | Very low | 24.6 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | trans | 76.7 | 149.3 | 145.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 128 | A | 23.4 | Very low | 24.8 | Very low | 74 Ų | 74 | 133.3 Ų | 133.3 | 61% | 0.612 | 77% | 0.773 | S | S | * | * | | | cis | -168.6 | 174.9 | -20.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 129 | Q | 26.1 | Very low | 24.9 | Very low | 184 Ų | 184 | 131.1 Ų | 131.1 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | | | trans | 58.7 | 116.7 | 146.3 | -75.9 | 162 | 8.7 | 0 | 0 | 119.7 | | |
| 130 | S | 24.5 | Very low | 24.7 | Very low | 109 Ų | 109 | 131 Ų | 131 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | -147 | 119.1 | 132.3 | -86.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 131 | T | 25.8 | Very low | 24.8 | Very low | 120 Ų | 120 | 131 Ų | 131 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | 51.1 | 117.6 | 131.7 | 61.1 | 0 | 0 | 0 | 0 | 120.1 | | |
| 132 | T | 20.9 | Very low | 24.9 | Very low | 116 Ų | 116 | 125.7 Ų | 125.7 | 71% | 0.712 | 75% | 0.754 | S | S | * | * | | | | 85.5 | 111 | 57.5 | -63.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 133 | T | 22.9 | Very low | 25.1 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | 62.3 | 158 | 166 | 58.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 134 | T | 23.4 | Very low | 24.9 | Very low | 120 Ų | 120 | 126 Ų | 126 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | | | cis | -153.4 | 177.6 | -6 | 4.6 | 0 | 0 | 0 | 0 | 106.6 | | |
| 135 | T | 24.4 | Very low | 24.5 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | cis | -157.2 | 171.7 | 22.2 | -19.3 | 0 | 0 | 0 | 0 | 110.7 | | |
| 136 | T | 23.8 | Very low | 24.9 | Very low | 127 Ų | 127 | 127.1 Ų | 127.1 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -90.9 | 163.1 | 173.3 | 42.5 | 0 | 0 | 0 | 0 | 114.2 | | |
| 137 | V | 26.5 | Very low | 25.5 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | trans | 169.8 | 111.4 | 141.1 | 147.7 | 0 | 0 | 0 | 0 | 107.6 | | |
| 138 | K | 27.4 | Very low | 25.7 | Very low | 200 Ų | 200 | 126.1 Ų | 126.1 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | | | | 69.8 | 136.1 | 84.9 | -146 | -166.6 | 179.7 | -172.7 | 0 | 112.5 | | |
| 139 | A | 27.9 | Very low | 25.8 | Very low | 83 Ų | 83 | 127.2 Ų | 127.2 | 69% | 0.686 | 77% | 0.771 | S | S | * | * | | | cis | -133 | -171.1 | 5.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 140 | D | 21.2 | Very low | 26 | Very low | 144 Ų | 144 | 123 Ų | 123 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | cis | -149.8 | 133.7 | 10.8 | -153.9 | -131.7 | 0 | 0 | 0 | 108.1 | | |
| 141 | A | 26.6 | Very low | 26.2 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | | | | 43.2 | 142.4 | 96.1 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 142 | G | 24.2 | Very low | 26.2 | Very low | 64 Ų | 64 | 122.3 Ų | 122.3 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | | | cis | 152.9 | 155 | -14.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 143 | K | 27.5 | Very low | 26.5 | Very low | 210 Ų | 210 | 123 Ų | 123 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | | | trans | 74.3 | 159.2 | 173.1 | -54.4 | 173.9 | -176.7 | 172.7 | 0 | 113.2 | | |
| 144 | T | 23.9 | Very low | 26.6 | Very low | 134 Ų | 134 | 119.9 Ų | 119.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | cis | -129.4 | 168.4 | 25.3 | 48.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 145 | S | 25.8 | Very low | 26.7 | Very low | 105 Ų | 105 | 122 Ų | 122 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -66 | 160.2 | 179.5 | 49.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 146 | K | 28.7 | Very low | 26.6 | Very low | 187 Ų | 187 | 121.9 Ų | 121.9 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | | | trans | 1.9 | 158.7 | 130.1 | -82.3 | -167.6 | 79.8 | 177.5 | 0 | 118.3 | | |
| 147 | P | 37.4 | Very low | 26.7 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | cis | -147.8 | -165.1 | -23 | 40.8 | -21.2 | 0 | 0 | 0 | 115 | | |
| 148 | A | 27.2 | Very low | 26.7 | Very low | 97 Ų | 97 | 118.3 Ų | 118.3 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | | | trans | 80 | 149.6 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 149 | A | 26.6 | Very low | 26.4 | Very low | 97 Ų | 97 | 117.4 Ų | 117.4 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | | | cis | -132.1 | 173.3 | -0.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 150 | A | 29.1 | Very low | 26.2 | Very low | 96 Ų | 96 | 117.8 Ų | 117.8 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | | | cis | -160.1 | 165.4 | 4.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 151 | A | 28.3 | Very low | 26.3 | Very low | 85 Ų | 85 | 119.7 Ų | 119.7 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | | | cis | -161.9 | 161.6 | -9.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 152 | V | 27.6 | Very low | 26.1 | Very low | 129 Ų | 129 | 122.9 Ų | 122.9 | 78% | 0.782 | 76% | 0.762 | S | S | * | * | | | trans | 45.8 | 129.8 | 139.9 | 171.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 153 | T | 26 | Very low | 26.1 | Very low | 132 Ų | 132 | 126.1 Ų | 126.1 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | cis | -173.8 | 151.6 | -17.5 | 36.1 | 0 | 0 | 0 | 0 | 105.1 | | |
| 154 | G | 24.3 | Very low | 26 | Very low | 60 Ų | 60 | 122.2 Ų | 122.2 | 62% | 0.619 | 75% | 0.749 | S | S | * | * | | | cis | 151 | 158 | -1.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 155 | N | 25.9 | Very low | 26.2 | Very low | 164 Ų | 164 | 121.6 Ų | 121.6 | 88% | 0.877 | 75% | 0.745 | S | S | * | * | | | trans | 70.2 | 156.1 | 158.4 | -54.4 | 4.4 | 0 | 0 | 0 | 118.7 | | |
| 156 | V | 23.3 | Very low | 26.2 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 76% | 0.764 | 75% | 0.748 | S | S | * | * | | | cis | -162.1 | 140.6 | -41.7 | 97.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 157 | S | 25.2 | Very low | 26.2 | Very low | 101 Ų | 101 | 120.6 Ų | 120.6 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | 47.2 | 151.5 | 153.9 | 81.4 | 0 | 0 | 0 | 0 | 125.3 | | |
| 158 | A | 25.7 | Very low | 25.8 | Very low | 84 Ų | 84 | 119.8 Ų | 119.8 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | | | trans | 88.4 | 114.2 | 130.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 159 | Q | 22.4 | Very low | 25.9 | Very low | 181 Ų | 181 | 123.5 Ų | 123.5 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | | | | 55.6 | 96.7 | 113.4 | -165.6 | 175.6 | -9.9 | 0 | 0 | 121.3 | | |
| 160 | A | 23 | Very low | 25.8 | Very low | 90 Ų | 90 | 124.5 Ų | 124.5 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | | | | 71.8 | 145.7 | 126.4 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 161 | K | 22.9 | Very low | 25.8 | Very low | 184 Ų | 184 | 129 Ų | 129 | 80% | 0.8 | 74% | 0.744 | S | S | * | * | | | trans | 84.2 | 130.9 | 144.4 | -129.7 | -173.5 | -174.1 | 178.5 | 0 | 119 | | |
| 162 | K | 23.8 | Very low | 26.1 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 67% | 0.67 | 74% | 0.744 | S | S | * | * | | | trans | 68.6 | 152.3 | 155.2 | -86.4 | -174.4 | 174.6 | -79.9 | 0 | 116.2 | | |
| 163 | E | 23.4 | Very low | 26 | Very low | 132 Ų | 132 | 133.3 Ų | 133.3 | 62% | 0.617 | 75% | 0.749 | S | S | * | * | | | cis | -158 | 145.7 | -10 | -171.7 | 124.8 | 79.7 | 0 | 0 | 110 | | |
| 164 | D | 26.6 | Very low | 26.5 | Very low | 129 Ų | 129 | 133 Ų | 133 | 69% | 0.69 | 75% | 0.747 | S | S | * | * | | | trans | 55.8 | 143.7 | 151.6 | -99.2 | -55.3 | 0 | 0 | 0 | 125.7 | | |
| 165 | T | 26.2 | Very low | 26.6 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | 60.5 | 155.2 | 148.5 | 54.5 | 0 | 0 | 0 | 0 | 120.9 | | |
| 166 | K | 27.4 | Very low | 27.1 | Very low | 183 Ų | 183 | 136.5 Ų | 136.5 | 80% | 0.796 | 75% | 0.749 | S | S | * | * | | | cis | -176.1 | 141.3 | -23.5 | 161.5 | 170.9 | 161.9 | -75.3 | 0 | 108.5 | | |
| 167 | A | 28.6 | Very low | 27.4 | Very low | 88 Ų | 88 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | 65.3 | 162.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 168 | A | 28.6 | Very low | 28.3 | Very low | 82 Ų | 82 | 136 Ų | 136 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | | | cis | -168.5 | 169.5 | -32 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 169 | Q | 29.6 | Very low | 28.5 | Very low | 175 Ų | 175 | 138.1 Ų | 138.1 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | | | trans | 68.2 | 117.7 | 149.6 | -78.3 | -179.3 | 24.1 | 0 | 0 | 120.8 | | |
| 170 | T | 24.6 | Very low | 28.8 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | | | | 67.8 | 116.5 | 118.5 | -47.7 | 0 | 0 | 0 | 0 | 119.2 | | |
| 171 | K | 29.3 | Very low | 29.7 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | | 167.5 | 128.4 | 97 | -159.5 | 162.6 | -178.6 | 177.4 | 0 | 114 | | |
| 172 | V | 32.8 | Very low | 29.9 | Very low | 114 Ų | 114 | 136.6 Ų | 136.6 | 69% | 0.691 | 75% | 0.753 | S | S | * | * | | | trans | -11.3 | 130 | 151.6 | 179.8 | 0 | 0 | 0 | 0 | 117.5 | | |
| 173 | Q | 26.4 | Very low | 30.6 | Very low | 192 Ų | 192 | 133.9 Ų | 133.9 | 90% | 0.897 | 76% | 0.76 | S | S | * | * | | | | -154 | 158.7 | 126.4 | -114.3 | 153.1 | 120.2 | 0 | 0 | 113.1 | | |
| 174 | V | 37.2 | Very low | 31 | Very low | 125 Ų | 125 | 133 Ų | 133 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | | | trans | -114 | 137.4 | -175.1 | 168.5 | 0 | 0 | 0 | 0 | 108.3 | V176 | V174-V176 HydrophobicContact CG1-CG2 4.22Š|
| 175 | E | 24.9 | Very low | 32 | Very low | 185 Ų | 185 | 132.2 Ų | 132.2 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -141.1 | 136.8 | 163 | -163.3 | 169.2 | 161.4 | 0 | 0 | 110.2 | | |
| 176 | V | 36.2 | Very low | 33 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 68% | 0.679 | 77% | 0.773 | S | S | * | * | | | trans | -143 | 122.3 | -176.6 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | V174 | V174-V176 HydrophobicContact CG1-CG2 4.22Š|
| 177 | P | 30.6 | Very low | 34 | Very low | 116 Ų | 116 | 131.8 Ų | 131.8 | 75% | 0.753 | 78% | 0.779 | S | S | * | * | | | trans | -97.3 | 149.7 | 156.7 | -8.2 | 28 | 0 | 0 | 0 | 111.6 | | |
| 178 | P | 44.3 | Very low | 35.3 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | | | trans | -133.4 | 178.5 | -150.6 | 38.7 | -19.9 | 0 | 0 | 0 | 116.9 | | |
| 179 | T | 30.7 | Very low | 37.4 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | | | trans | 68 | 157.1 | 159.1 | 35.4 | 0 | 0 | 0 | 0 | 117 | | |
| 180 | T | 28.6 | Very low | 39.6 | Very low | 138 Ų | 138 | 130.3 Ų | 130.3 | 85% | 0.847 | 75% | 0.753 | S | S | * | * | | | cis | -134.7 | 151.9 | 24.8 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 181 | A | 40.7 | Very low | 42.1 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | | | trans | -85 | 157.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 182 | K | 26.7 | Very low | 44.3 | Very low | 191 Ų | 191 | 128.6 Ų | 128.6 | 83% | 0.83 | 74% | 0.741 | S | S | * | * | | | trans | -140.9 | 113.8 | 148.6 | -171.2 | 173.1 | -176 | 177.9 | 0 | 110 | | |
| 183 | A | 39.7 | Very low | 46.6 | Very low | 98 Ų | 98 | 125 Ų | 125 | 81% | 0.81 | 72% | 0.719 | S | S | * | * | | | trans | -80.2 | 132.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 184 | T | 30.8 | Very low | 49.1 | Very low | 114 Ų | 114 | 120.7 Ų | 120.7 | 70% | 0.699 | 70% | 0.702 | S | S | * | * | | | trans | -137.1 | 119.5 | 162.4 | 46.7 | 0 | 0 | 0 | 0 | 107.7 | A186 | T184-A186 VanDerWaalsContact C-N 3.31Å; T184-A186 PolarHBondContact O-N 3.31Å |
| 185 | A | 48.1 | Very low | 51 | Low | 111 Ų | 111 | 118.4 Ų | 118.4 | 92% | 0.917 | 69% | 0.691 | S | S | * | * | | | trans | -71.5 | 87.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 186 | A | 46.7 | Very low | 53.2 | Low | 86 Ų | 86 | 113.9 Ų | 113.9 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | | | trans | -67.9 | 138.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | T184 Q188 | T184-A186 VanDerWaalsContact C-N 3.31Å; T184-A186 PolarHBondContact O-N 3.31Å; A186-Q188 PolarHBondContact O-N 2.88Å; A186-Q188 VanDerWaalsContact O-N 3.08Å |
| 187 | K | 49.9 | Very low | 55.2 | Low | 210 Ų | 210 | 115.7 Ų | 115.7 | 91% | 0.913 | 68% | 0.683 | S | S | * | * | | | trans | -62.5 | 114 | 170.6 | -66.8 | 179.6 | -179.5 | 178.8 | 0 | 107.6 | D189 | K187-D189 PolarHBondContact O-N 2.81Å; K187-D189 VanDerWaalsContact O-N 3.12Å |
| 188 | Q | 54.3 | Low | 57.4 | Low | 151 Ų | 151 | 115.9 Ų | 115.9 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | | | trans | -69 | 109.9 | 172.5 | -165.8 | -179.2 | -36.4 | 0 | 0 | 107.5 | A186 T193 | A186-Q188 PolarHBondContact O-N 2.88Å; A186-Q188 VanDerWaalsContact O-N 3.08Å; Q188-T193 WeakPolarHBondContact CG-OG1 3.49Å; Q188-T193 PolarHBondContact NE2-OG1 3.32Å |
| 189 | D | 73.3 | Confident | 58.7 | Low | 76 Ų | 76 | 116.8 Ų | 116.8 | 41% | 0.406 | 68% | 0.683 | S | S | . | * | | | trans | -63.4 | 126 | -179.8 | 167.8 | 26.8 | 0 | 0 | 0 | 109.5 | K187 F191 N192 T193 | K187-D189 PolarHBondContact O-N 2.81Å; K187-D189 VanDerWaalsContact O-N 3.12Å; D189-F191 PolarHBondContact O-N 3.35Å; D189-F191 PolarHBondContact OD1-N 2.99Å; D189-N192 HydrophobicContact CB-CB 3.92Å; D189-N192 PolarHBondContact O-N 2.69Å; D189-N192 PolarHBondContact OD2-N 2.95Å; D189-T193 PolarHBondContact O-N 2.91Å; D189-T193 PolarHBondContact O-OG1 3.19Å |
| 190 | P | 76.2 | Confident | 60.2 | Low | 87 Ų | 87 | 115.3 Ų | 115.3 | 57% | 0.565 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -59.8 | -32 | 176.1 | 24.4 | -34.8 | 0 | 0 | 0 | 112.3 | T193 L194 | P190-T193 PolarHBondContact O-N 2.85Å; P190-L194 WeakPolarHBondContact O-CB 3.29Å; P190-L194 VanDerWaalsContact O-CG 3.29Å; P190-L194 WeakPolarHBondContact O-CG 3.43Å; P190-L194 PolarHBondContact O-N 3.14Å |
| 191 | F | 76.6 | Confident | 61.6 | Low | 159 Ų | 159 | 113.9 Ų | 113.9 | 70% | 0.697 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -70.9 | -43.7 | 176.6 | -79.9 | -83.2 | 0 | 0 | 0 | 112.3 | D189 T193 L194 S195 | D189-F191 PolarHBondContact O-N 3.35Å; D189-F191 PolarHBondContact OD1-N 2.99Å; F191-T193 VanDerWaalsContact C-N 3.28Å; F191-T193 PolarHBondContact O-N 3.19Å; F191-L194 PolarHBondContact O-N 3.32Å; F191-S195 WeakPolarHBondContact O-CB 3.47Å; F191-S195 PolarHBondContact O-N 3.12Å |
| 192 | N | 76.1 | Confident | 62.2 | Low | 112 Ų | 112 | 116.1 Ų | 116.1 | 60% | 0.599 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -63.5 | -35.1 | 173.1 | -158.5 | -3.2 | 0 | 0 | 0 | 112 | D189 S195 S196 | D189-N192 HydrophobicContact CB-CB 3.92Å; D189-N192 PolarHBondContact O-N 2.69Å; D189-N192 PolarHBondContact OD2-N 2.95Å; N192-S195 WeakPolarHBondContact O-CB 3.46Å; N192-S195 PolarHBondContact O-N 3.44Å; N192-S196 PolarHBondContact O-N 3.47Å |
| 193 | T | 81.6 | Confident | 63.2 | Low | 39 Ų | 39 | 111.6 Ų | 111.6 | 24% | 0.239 | 67% | 0.672 | C | S | . | * | H | α-helix | trans | -64.9 | -46.9 | 173.1 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | Q188 D189 P190 F191 S195 S196 M197 | Q188-T193 WeakPolarHBondContact CG-OG1 3.49Å; Q188-T193 PolarHBondContact NE2-OG1 3.32Å; D189-T193 PolarHBondContact O-N 2.91Å; D189-T193 PolarHBondContact O-OG1 3.19Å; P190-T193 PolarHBondContact O-N 2.85Å; F191-T193 VanDerWaalsContact C-N 3.28Å; F191-T193 PolarHBondContact O-N 3.19Å; T193-S195 VanDerWaalsContact C-N 3.31Å; T193-S195 PolarHBondContact O-N 2.97Å; T193-S196 PolarHBondContact O-N 3.4Å; T193-S196 VanDerWaalsContact O-N 3.12Å; T193-S196 PolarHBondContact O-OG 2.9Å; T193-M197 PolarHBondContact O-N 3.26Å; T193-M197 VanDerWaalsContact O-N 3.14Å |
| 194 | L | 77.7 | Confident | 63.8 | Low | 102 Ų | 102 | 114.1 Ų | 114.1 | 53% | 0.534 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -60.9 | -39.8 | 173.4 | -75 | 166.2 | 0 | 0 | 0 | 111.8 | P190 F191 S196 M197 L198 | P190-L194 WeakPolarHBondContact O-CB 3.29Å; P190-L194 VanDerWaalsContact O-CG 3.29Å; P190-L194 WeakPolarHBondContact O-CG 3.43Å; P190-L194 PolarHBondContact O-N 3.14Å; F191-L194 PolarHBondContact O-N 3.32Å; L194-S196 PolarHBondContact O-N 3.28Å; L194-M197 CarbonylContact O-C 3.43Å; L194-M197 WeakPolarHBondContact O-CA 3.25Å; L194-M197 PolarHBondContact O-N 3.31Å; L194-L198 PolarHBondContact O-N 3.24Å |
| 195 | S | 76.9 | Confident | 65.1 | Low | 76 Ų | 76 | 111.2 Ų | 111.2 | 53% | 0.531 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -61.8 | -31.5 | 175 | -166 | 0 | 0 | 0 | 0 | 112.6 | F191 N192 T193 M197 | F191-S195 WeakPolarHBondContact O-CB 3.47Å; F191-S195 PolarHBondContact O-N 3.12Å; N192-S195 WeakPolarHBondContact O-CB 3.46Å; N192-S195 PolarHBondContact O-N 3.44Å; T193-S195 VanDerWaalsContact C-N 3.31Å; T193-S195 PolarHBondContact O-N 2.97Å; S195-M197 VanDerWaalsContact C-N 3.35Å |
| 196 | S | 71.6 | Confident | 65.4 | Low | 91 Ų | 91 | 111.4 Ų | 111.4 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -81 | -10.2 | 172.1 | 72.6 | 0 | 0 | 0 | 0 | 114.7 | N192 T193 L194 | N192-S196 PolarHBondContact O-N 3.47Å; T193-S196 PolarHBondContact O-N 3.4Å; T193-S196 VanDerWaalsContact O-N 3.12Å; T193-S196 PolarHBondContact O-OG 2.9Å; L194-S196 PolarHBondContact O-N 3.28Å |
| 197 | M | 78.3 | Confident | 66.1 | Low | 149 Ų | 149 | 113 Ų | 113 | 73% | 0.734 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -98.1 | -14.4 | 172.9 | -69.2 | -172 | 70.8 | 0 | 0 | 113.2 | T193 L194 S195 | T193-M197 PolarHBondContact O-N 3.26Å; T193-M197 VanDerWaalsContact O-N 3.14Å; L194-M197 CarbonylContact O-C 3.43Å; L194-M197 WeakPolarHBondContact O-CA 3.25Å; L194-M197 PolarHBondContact O-N 3.31Å; S195-M197 VanDerWaalsContact C-N 3.35Å |
| 198 | L | 77.3 | Confident | 66.8 | Low | 120 Ų | 120 | 113.6 Ų | 113.6 | 63% | 0.628 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -69 | 134.9 | 164.3 | -65.5 | 177.6 | 0 | 0 | 0 | 108.8 | L194 S200 | L194-L198 PolarHBondContact O-N 3.24Å; L198-S200 PolarHBondContact O-N 3.26Å |
| 199 | P | 71.4 | Confident | 67.5 | Low | 119 Ų | 119 | 112.2 Ų | 112.2 | 77% | 0.773 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 133.4 | 168.6 | 27.2 | -33.1 | 0 | 0 | 0 | 108.6 | A201 | P199-A201 PolarHBondContact O-N 2.86Š|
| 200 | S | 60.9 | Low | 67.4 | Low | 100 Ų | 100 | 112.7 Ų | 112.7 | 70% | 0.699 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 141.3 | 176.8 | -67.7 | 0 | 0 | 0 | 0 | 110 | L198 D202 | L198-S200 PolarHBondContact O-N 3.26Å; S200-D202 PolarHBondContact O-N 3.34Å |
| 201 | A | 58.9 | Low | 67 | Low | 107 Ų | 107 | 116.6 Ų | 116.6 | 88% | 0.884 | 68% | 0.682 | S | S | * | * | | | trans | -73.1 | 26 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | P199 S203 | P199-A201 PolarHBondContact O-N 2.86Å; A201-S203 PolarHBondContact O-N 2.71Å |
| 202 | D | 52.8 | Low | 66.8 | Low | 140 Ų | 140 | 115.6 Ų | 115.6 | 75% | 0.749 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -69.4 | 81.2 | 166.2 | -75.5 | -39.5 | 0 | 0 | 0 | 109.1 | S200 V204 | S200-D202 PolarHBondContact O-N 3.34Å; D202-V204 PolarHBondContact O-N 3.04Å; D202-V204 VanDerWaalsContact O-N 3.14Å |
| 203 | S | 48 | Very low | 66.8 | Low | 96 Ų | 96 | 111.7 Ų | 111.7 | 67% | 0.671 | 68% | 0.675 | S | S | * | * | | | trans | 7.2 | 91.6 | 161.4 | -167.1 | 0 | 0 | 0 | 0 | 115.3 | A201 A205 | A201-S203 PolarHBondContact O-N 2.71Å; S203-A205 PolarHBondContact O-N 3.27Å |
| 204 | V | 52.7 | Low | 66.5 | Low | 151 Ų | 151 | 115.2 Ų | 115.2 | 92% | 0.915 | 70% | 0.699 | S | S | * | * | | | trans | -75 | 49.6 | 163 | -165.7 | 0 | 0 | 0 | 0 | 109.7 | D202 | D202-V204 PolarHBondContact O-N 3.04Å; D202-V204 VanDerWaalsContact O-N 3.14Å |
| 205 | A | 58.6 | Low | 66.4 | Low | 54 Ų | 54 | 118.7 Ų | 118.7 | 45% | 0.446 | 71% | 0.712 | S | S | . | * | | | trans | -72.6 | 135.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 107 | S203 S207 | S203-A205 PolarHBondContact O-N 3.27Å; A205-S207 PolarHBondContact O-N 2.94Å |
| 206 | P | 54.2 | Low | 66.2 | Low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 72% | 0.717 | S | S | * | * | | | trans | -57.2 | 134 | 172.3 | 25.2 | -33.4 | 0 | 0 | 0 | 108.7 | R208 | P206-R208 PolarHBondContact O-N 2.8Š|
| 207 | S | 61.1 | Low | 66.2 | Low | 118 Ų | 118 | 119.8 Ų | 119.8 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | | | trans | -51.5 | 103.7 | -178.2 | 177.1 | 0 | 0 | 0 | 0 | 109.8 | A205 | A205-S207 PolarHBondContact O-N 2.94Š|
| 208 | R | 65.1 | Low | 65.8 | Low | 224 Ų | 224 | 120.2 Ų | 120.2 | 85% | 0.845 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 126.5 | 176.6 | -67.5 | -174.1 | 179 | -167.6 | -0.5 | 107.2 | P206 A210 | P206-R208 PolarHBondContact O-N 2.8Å; R208-A210 PolarHBondContact O-N 3.29Å |
| 209 | P | 67.6 | Low | 65 | Low | 122 Ų | 122 | 122.4 Ų | 122.4 | 79% | 0.792 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 127.6 | -178.5 | 23.2 | -32.9 | 0 | 0 | 0 | 108.7 | Y211 | P209-Y211 PolarHBondContact O-N 2.82Š|
| 210 | A | 72.1 | Confident | 64.7 | Low | 85 Ų | 85 | 121 Ų | 121 | 70% | 0.702 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 128.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | R208 T212 | R208-A210 PolarHBondContact O-N 3.29Å; A210-T212 PolarHBondContact O-N 2.85Å; A210-T212 PolarHBondContact O-OG1 3.49Å |
| 211 | Y | 66.9 | Low | 64.7 | Low | 169 Ų | 169 | 122.4 Ų | 122.4 | 66% | 0.663 | 71% | 0.712 | S | S | * | * | | | trans | -65.9 | 99 | -177.2 | -177.6 | -95.9 | 0 | 0 | 0 | 109.4 | P209 G213 | P209-Y211 PolarHBondContact O-N 2.82Å; Y211-G213 WeakPolarHBondContact CE1-O 3.41Å; Y211-G213 PolarHBondContact O-N 2.94Å |
| 212 | T | 73.1 | Confident | 65.1 | Low | 139 Ų | 139 | 126.3 Ų | 126.3 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | | | trans | -93.1 | 17.6 | -177.1 | -42.4 | 0 | 0 | 0 | 0 | 111 | A210 | A210-T212 PolarHBondContact O-N 2.85Å; A210-T212 PolarHBondContact O-OG1 3.49Å |
| 213 | G | 76.9 | Confident | 66 | Low | 30 Ų | 30 | 127.9 Ų | 127.9 | 31% | 0.309 | 71% | 0.712 | S | S | . | * | S | Bend | trans | -83.1 | 157.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y211 | Y211-G213 WeakPolarHBondContact CE1-O 3.41Å; Y211-G213 PolarHBondContact O-N 2.94Å |
| 214 | P | 75.1 | Confident | 67.2 | Low | 113 Ų | 113 | 130.8 Ų | 130.8 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | | | trans | -56.5 | 143.1 | 163.9 | -20.1 | 32.7 | 0 | 0 | 0 | 110.4 | V216 | P214-V216 PolarHBondContact O-N 3.14Å; P214-V216 VanDerWaalsContact O-N 3.1Å |
| 215 | E | 75.5 | Confident | 68.3 | Low | 174 Ų | 174 | 128.8 Ų | 128.8 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | | | trans | -61.5 | 113.9 | 176.7 | -172.8 | 174.7 | 179.6 | 0 | 0 | 110.2 | V217 | E215-V217 VanDerWaalsContact C-N 3.31Å; E215-V217 HydrophobicContact CG-CG2 4.32Å; E215-V217 PolarHBondContact O-N 2.83Å |
| 216 | V | 71.6 | Confident | 69.3 | Low | 104 Ų | 104 | 132.3 Ų | 132.3 | 63% | 0.63 | 72% | 0.716 | S | S | * | * | | | trans | -79.5 | 82.7 | -177.2 | -176.3 | 0 | 0 | 0 | 0 | 109.4 | P214 E218 | P214-V216 PolarHBondContact O-N 3.14Å; P214-V216 VanDerWaalsContact O-N 3.1Å; V216-E218 PolarHBondContact O-N 3.25Å |
| 217 | V | 72.1 | Confident | 70.4 | Confident | 86 Ų | 86 | 133.6 Ų | 133.6 | 52% | 0.521 | 71% | 0.71 | S | S | . | * | | | trans | -73.1 | 108.3 | 169.4 | -179.2 | 0 | 0 | 0 | 0 | 108.6 | E215 H219 | E215-V217 VanDerWaalsContact C-N 3.31Å; E215-V217 HydrophobicContact CG-CG2 4.32Å; E215-V217 PolarHBondContact O-N 2.83Å; V217-H219 PolarHBondContact O-N 2.83Å |
| 218 | E | 70.6 | Confident | 71.1 | Confident | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | | | trans | -68.8 | 99.1 | 176.6 | -66.9 | -168.9 | 164.8 | 0 | 0 | 110.8 | V216 V220 | V216-E218 PolarHBondContact O-N 3.25Å; E218-V220 VanDerWaalsContact C-N 3.26Å; E218-V220 HydrophobicContact CB-CG2 4.3Å; E218-V220 PolarHBondContact O-N 3.11Å |
| 219 | H | 60.5 | Low | 71.9 | Confident | 165 Ų | 165 | 125.8 Ų | 125.8 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | | | trans | -73.9 | 76.2 | 174.6 | -71.8 | -64.8 | 0 | 0 | 0 | 111.6 | V217 T221 | V217-H219 PolarHBondContact O-N 2.83Å; H219-T221 PolarHBondContact O-N 3.29Å |
| 220 | V | 63.9 | Low | 72.8 | Confident | 89 Ų | 89 | 125 Ų | 125 | 54% | 0.539 | 68% | 0.682 | S | S | . | * | | | trans | -72.1 | 94.5 | 177.6 | -172.1 | 0 | 0 | 0 | 0 | 110.8 | E218 F222 | E218-V220 VanDerWaalsContact C-N 3.26Å; E218-V220 HydrophobicContact CB-CG2 4.3Å; E218-V220 PolarHBondContact O-N 3.11Å; V220-F222 HydrophobicContact CB-CE2 4.19Å; V220-F222 HydrophobicContact CB-CZ 4.49Å; V220-F222 HydrophobicContact CG1-CD1 4.46Å; V220-F222 HydrophobicContact CG1-CD2 4.08Å; V220-F222 HydrophobicContact CG1-CE1 3.98Å; V220-F222 HydrophobicContact CG1-CE2 3.55Å; V220-F222 HydrophobicContact CG1-CZ 3.5Å; V220-F222 VanDerWaalsContact CG1-CZ 3.5Å; V220-F222 PolarHBondContact O-N 3.29Å |
| 221 | T | 60.8 | Low | 73.6 | Confident | 131 Ų | 131 | 128.4 Ų | 128.4 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | | | trans | -83.1 | 103.5 | 173.7 | 53.5 | 0 | 0 | 0 | 0 | 111 | H219 E223 | H219-T221 PolarHBondContact O-N 3.29Å; T221-E223 PolarHBondContact O-N 3.01Å |
| 222 | F | 68.1 | Low | 74.3 | Confident | 188 Ų | 188 | 123.1 Ų | 123.1 | 83% | 0.825 | 66% | 0.659 | S | S | * | * | | | trans | -79.2 | 107 | 174.6 | -66.6 | -81.4 | 0 | 0 | 0 | 111.6 | V220 K224 | V220-F222 HydrophobicContact CB-CE2 4.19Å; V220-F222 HydrophobicContact CB-CZ 4.49Å; V220-F222 HydrophobicContact CG1-CD1 4.46Å; V220-F222 HydrophobicContact CG1-CD2 4.08Å; V220-F222 HydrophobicContact CG1-CE1 3.98Å; V220-F222 HydrophobicContact CG1-CE2 3.55Å; V220-F222 HydrophobicContact CG1-CZ 3.5Å; V220-F222 VanDerWaalsContact CG1-CZ 3.5Å; V220-F222 PolarHBondContact O-N 3.29Å; F222-K224 PolarHBondContact O-N 3.05Å |
| 223 | E | 72 | Confident | 74.7 | Confident | 174 Ų | 174 | 119.8 Ų | 119.8 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | | | trans | -80.3 | 113.5 | 171.8 | -172.4 | 171.7 | -173.4 | 0 | 0 | 110.6 | T221 V225 | T221-E223 PolarHBondContact O-N 3.01Å; E223-V225 VanDerWaalsContact C-N 3.33Å; E223-V225 PolarHBondContact O-N 3.35Å |
| 224 | K | 73.4 | Confident | 75.3 | Confident | 156 Ų | 156 | 122.1 Ų | 122.1 | 68% | 0.678 | 65% | 0.645 | S | S | * | * | | | trans | -75.5 | 86.3 | 173.3 | -169.6 | -165 | 173.4 | -167 | 0 | 109.6 | F222 V226 E230 | F222-K224 PolarHBondContact O-N 3.05Å; K224-V226 PolarHBondContact O-N 3.47Å; K224-E230 IonicContact NZ-OE1 2.89Å; K224-E230 PolarHBondContact NZ-OE1 3.13Å; K224-E230 IonicContact NZ-OE2 4Å |
| 225 | V | 74.4 | Confident | 75.8 | Confident | 110 Ų | 110 | 119.7 Ų | 119.7 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | | | trans | -52.4 | 134.2 | 172.7 | -175.1 | 0 | 0 | 0 | 0 | 110.5 | E223 K227 | E223-V225 VanDerWaalsContact C-N 3.33Å; E223-V225 PolarHBondContact O-N 3.35Å; V225-K227 PolarHBondContact O-N 2.73Å |
| 226 | V | 80 | Confident | 76.3 | Confident | 128 Ų | 128 | 115.1 Ų | 115.1 | 78% | 0.776 | 61% | 0.611 | S | S | * | * | | | trans | -68.1 | 119.8 | 179.9 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | K224 C228 | K224-V226 PolarHBondContact O-N 3.47Å; V226-C228 PolarHBondContact O-N 3.12Å |
| 227 | K | 78.4 | Confident | 76.8 | Confident | 141 Ų | 141 | 115.1 Ų | 115.1 | 61% | 0.613 | 61% | 0.613 | S | S | * | * | | | trans | -82.5 | 115.1 | 176 | -59.8 | -171 | -160.4 | 162.4 | 0 | 110.4 | V225 G229 E230 | V225-K227 PolarHBondContact O-N 2.73Å; K227-G229 PolarHBondContact O-N 3.06Å; K227-E230 HydrophobicContact CB-CB 3.96Å; K227-E230 VanDerWaalsContact CD-OE2 3.25Å; K227-E230 WeakPolarHBondContact CD-OE2 3.48Å; K227-E230 IonicContact NZ-OE2 3.66Å; K227-E230 WeakPolarHBondContact O-CB 3.37Å; K227-E230 PolarHBondContact O-N 3Å |
| 228 | C | 75.8 | Confident | 77.2 | Confident | 130 Ų | 130 | 113.6 Ų | 113.6 | 88% | 0.878 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 131.1 | 167.4 | -61.6 | 0 | 0 | 0 | 0 | 108.9 | V226 | V226-C228 PolarHBondContact O-N 3.12Š|
| 229 | G | 81.3 | Confident | 77.6 | Confident | 48 Ų | 48 | 114.5 Ų | 114.5 | 50% | 0.495 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 90.8 | -7.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | K227 R231 T234 | K227-G229 PolarHBondContact O-N 3.06Å; G229-R231 PolarHBondContact O-N 3.28Å; G229-T234 VanDerWaalsContact CA-OG1 3.24Å; G229-T234 WeakPolarHBondContact CA-OG1 3.34Å; G229-T234 PolarHBondContact N-OG1 2.91Å |
| 230 | E | 86.7 | Confident | 79 | Confident | 106 Ų | 106 | 110.4 Ų | 110.4 | 50% | 0.495 | 59% | 0.591 | S | S | . | * | | | trans | -73.5 | -13.3 | 178.2 | -175.3 | 171.3 | 140.5 | 0 | 0 | 112.9 | K224 K227 | K224-E230 IonicContact NZ-OE1 2.89Å; K224-E230 PolarHBondContact NZ-OE1 3.13Å; K224-E230 IonicContact NZ-OE2 4Å; K227-E230 HydrophobicContact CB-CB 3.96Å; K227-E230 VanDerWaalsContact CD-OE2 3.25Å; K227-E230 WeakPolarHBondContact CD-OE2 3.48Å; K227-E230 IonicContact NZ-OE2 3.66Å; K227-E230 WeakPolarHBondContact O-CB 3.37Å; K227-E230 PolarHBondContact O-N 3Å |
| 231 | R | 87.6 | Confident | 79.6 | Confident | 156 Ų | 156 | 116 Ų | 116 | 59% | 0.589 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -107.9 | 137.1 | 178.7 | -67.3 | 173.7 | 50.3 | 82.1 | -3.3 | 111.9 | G229 D233 T234 | G229-R231 PolarHBondContact O-N 3.28Å; R231-D233 WeakPolarHBondContact CB-OD1 3.4Å; R231-D233 IonicContact CZ-OD1 3Å; R231-D233 VanDerWaalsContact CZ-OD1 3.29Å; R231-D233 IonicContact CZ-OD2 3Å; R231-D233 IonicContact NE-OD1 2.75Å; R231-D233 PolarHBondContact NE-OD1 3.13Å; R231-D233 IonicContact NE-OD2 3.14Å; R231-D233 IonicContact NH2-OD1 2.71Å; R231-D233 PolarHBondContact NH2-OD1 3.1Å; R231-D233 IonicContact NH2-OD2 3.04Å; R231-D233 PolarHBondContact NH2-OD2 3.21Å; R231-D233 PolarHBondContact O-N 3.09Å; R231-T234 HydrophobicContact CB-CG2 4.23Å; R231-T234 WeakPolarHBondContact O-CB 3.41Å; R231-T234 PolarHBondContact O-N 3Å; R231-T234 PolarHBondContact O-OG1 3.28Å |
| 232 | D | 83.4 | Confident | 80.4 | Confident | 58 Ų | 58 | 112.1 Ų | 112.1 | 31% | 0.31 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -55.3 | -35.2 | 175.3 | -170.3 | 56.8 | 0 | 0 | 0 | 112.8 | T234 L235 R240 W241 | D232-T234 PolarHBondContact O-N 3.43Å; D232-L235 VanDerWaalsContact O-CB 3.29Å; D232-L235 WeakPolarHBondContact O-CB 3.23Å; D232-L235 PolarHBondContact O-N 3.35Å; D232-R240 WeakPolarHBondContact O-CG 3.32Å; D232-R240 VanDerWaalsContact OD1-CA 3.29Å; D232-R240 WeakPolarHBondContact OD1-CA 3.44Å; D232-R240 WeakPolarHBondContact OD2-CB 3.42Å; D232-W241 PolarHBondContact OD1-N 2.86Å; D232-W241 PolarHBondContact OD2-N 3Å |
| 233 | D | 81.5 | Confident | 80.7 | Confident | 70 Ų | 70 | 106.7 Ų | 106.7 | 37% | 0.374 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -71.6 | -14 | 175.8 | 76.1 | -27.2 | 0 | 0 | 0 | 114.8 | R231 L235 R240 | R231-D233 WeakPolarHBondContact CB-OD1 3.4Å; R231-D233 IonicContact CZ-OD1 3Å; R231-D233 VanDerWaalsContact CZ-OD1 3.29Å; R231-D233 IonicContact CZ-OD2 3Å; R231-D233 IonicContact NE-OD1 2.75Å; R231-D233 PolarHBondContact NE-OD1 3.13Å; R231-D233 IonicContact NE-OD2 3.14Å; R231-D233 IonicContact NH2-OD1 2.71Å; R231-D233 PolarHBondContact NH2-OD1 3.1Å; R231-D233 IonicContact NH2-OD2 3.04Å; R231-D233 PolarHBondContact NH2-OD2 3.21Å; R231-D233 PolarHBondContact O-N 3.09Å; D233-L235 VanDerWaalsContact C-N 3.27Å; D233-R240 PolarHBondContact O-NH2 3.48Å |
| 234 | T | 88.4 | Confident | 80.3 | Confident | 79 Ų | 79 | 105.9 Ų | 105.9 | 49% | 0.485 | 57% | 0.566 | S | S | . | * | G | 310 helix | trans | -82.7 | -6 | 169.8 | 62.6 | 0 | 0 | 0 | 0 | 112.7 | G229 R231 D232 | G229-T234 VanDerWaalsContact CA-OG1 3.24Å; G229-T234 WeakPolarHBondContact CA-OG1 3.34Å; G229-T234 PolarHBondContact N-OG1 2.91Å; R231-T234 HydrophobicContact CB-CG2 4.23Å; R231-T234 WeakPolarHBondContact O-CB 3.41Å; R231-T234 PolarHBondContact O-N 3Å; R231-T234 PolarHBondContact O-OG1 3.28Å; D232-T234 PolarHBondContact O-N 3.43Å |
| 235 | L | 86.8 | Confident | 79.9 | Confident | 61 Ų | 61 | 106.4 Ų | 106.4 | 32% | 0.319 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -80.3 | 146.7 | 166.1 | -54.3 | 178.9 | 0 | 0 | 0 | 110.5 | D232 D233 Y239 R240 | D232-L235 VanDerWaalsContact O-CB 3.29Å; D232-L235 WeakPolarHBondContact O-CB 3.23Å; D232-L235 PolarHBondContact O-N 3.35Å; D233-L235 VanDerWaalsContact C-N 3.27Å; L235-Y239 WeakPolarHBondContact CD1-O 3.36Å; L235-R240 HydrophobicContact CB-CG 4.24Å; L235-R240 PolarHBondContact O-NE 3.36Å |
| 236 | P | 85.2 | Confident | 78.9 | Confident | 79 Ų | 79 | 111.3 Ų | 111.3 | 51% | 0.513 | 58% | 0.579 | S | S | . | * | P | Polyproline II helix | trans | -58.5 | 147.2 | 174.3 | -22.7 | 33.4 | 0 | 0 | 0 | 112 | G238 Y239 | P236-G238 PolarHBondContact O-N 3.43Å; P236-Y239 HydrophobicContact CB-CD2 4.2Å; P236-Y239 WeakPolarHBondContact O-CB 3.41Å; P236-Y239 PolarHBondContact O-N 2.83Å |
| 237 | P | 81.4 | Confident | 77.5 | Confident | 103 Ų | 103 | 110.7 Ų | 110.7 | 67% | 0.669 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.9 | 135.8 | 170.2 | -25.6 | 35.2 | 0 | 0 | 0 | 111.6 | D243 | P237-D243 WeakPolarHBondContact CA-OD2 3.4Š|
| 238 | G | 81.3 | Confident | 76.2 | Confident | 55 Ų | 55 | 108.6 Ų | 108.6 | 57% | 0.567 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.1 | -11.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | P236 D243 | P236-G238 PolarHBondContact O-N 3.43Å; G238-D243 PolarHBondContact N-OD2 3.01Å |
| 239 | Y | 79.1 | Confident | 74.9 | Confident | 177 Ų | 177 | 108.6 Ų | 108.6 | 69% | 0.694 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -115 | -4.3 | 174.8 | -68.5 | -92.3 | 0 | 0 | 0 | 113.4 | L235 P236 | L235-Y239 WeakPolarHBondContact CD1-O 3.36Å; P236-Y239 HydrophobicContact CB-CD2 4.2Å; P236-Y239 WeakPolarHBondContact O-CB 3.41Å; P236-Y239 PolarHBondContact O-N 2.83Å |
| 240 | R | 88.6 | Confident | 73 | Confident | 80 Ų | 80 | 110.4 Ų | 110.4 | 30% | 0.302 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -73.5 | 145 | 173.5 | -51.7 | -175.7 | 168.1 | 178.7 | -7.8 | 109.6 | D232 D233 L235 G242 D243 M244 | D232-R240 WeakPolarHBondContact O-CG 3.32Å; D232-R240 VanDerWaalsContact OD1-CA 3.29Å; D232-R240 WeakPolarHBondContact OD1-CA 3.44Å; D232-R240 WeakPolarHBondContact OD2-CB 3.42Å; D233-R240 PolarHBondContact O-NH2 3.48Å; L235-R240 HydrophobicContact CB-CG 4.24Å; L235-R240 PolarHBondContact O-NE 3.36Å; R240-G242 PolarHBondContact O-N 3.19Å; R240-D243 HydrophobicContact CB-CB 4.34Å; R240-D243 VanDerWaalsContact CB-OD2 3.32Å; R240-D243 WeakPolarHBondContact CB-OD2 3.49Å; R240-D243 WeakPolarHBondContact CG-OD2 3.45Å; R240-D243 PolarHBondContact O-N 2.89Å; R240-M244 PolarHBondContact O-N 3.23Å |
| 241 | W | 77.1 | Confident | 70.7 | Confident | 207 Ų | 207 | 111.5 Ų | 111.5 | 78% | 0.784 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | -32.6 | -179 | -62.3 | -21.8 | 0 | 0 | 0 | 112.5 | D232 M244 | D232-W241 PolarHBondContact OD1-N 2.86Å; D232-W241 PolarHBondContact OD2-N 3Å; W241-M244 PolarHBondContact O-N 3.07Å |
| 242 | G | 77.3 | Confident | 68.7 | Low | 49 Ų | 49 | 110.9 Ų | 110.9 | 51% | 0.505 | 61% | 0.614 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.9 | -26.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | R240 M244 | R240-G242 PolarHBondContact O-N 3.19Å; G242-M244 VanDerWaalsContact C-N 3.27Å; G242-M244 PolarHBondContact O-N 3.07Å |
| 243 | D | 74.5 | Confident | 66.9 | Low | 73 Ų | 73 | 115.5 Ų | 115.5 | 39% | 0.39 | 64% | 0.639 | S | S | . | * | G | 310 helix | trans | -76 | -20.4 | 177.2 | -62.5 | -30.9 | 0 | 0 | 0 | 111.6 | P237 G238 R240 E245 | P237-D243 WeakPolarHBondContact CA-OD2 3.4Å; G238-D243 PolarHBondContact N-OD2 3.01Å; R240-D243 HydrophobicContact CB-CB 4.34Å; R240-D243 VanDerWaalsContact CB-OD2 3.32Å; R240-D243 WeakPolarHBondContact CB-OD2 3.49Å; R240-D243 WeakPolarHBondContact CG-OD2 3.45Å; R240-D243 PolarHBondContact O-N 2.89Å; D243-E245 VanDerWaalsContact C-N 3.33Å |
| 244 | M | 64.5 | Low | 64.8 | Low | 157 Ų | 157 | 116.7 Ų | 116.7 | 77% | 0.773 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -81.6 | -9.9 | 179.2 | -159.2 | 171.2 | -177.5 | 0 | 0 | 113.2 | R240 W241 G242 | R240-M244 PolarHBondContact O-N 3.23Å; W241-M244 PolarHBondContact O-N 3.07Å; G242-M244 VanDerWaalsContact C-N 3.27Å; G242-M244 PolarHBondContact O-N 3.07Å |
| 245 | E | 63.6 | Low | 62.6 | Low | 168 Ų | 168 | 122 Ų | 122 | 79% | 0.785 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -85.6 | -13 | -178.8 | -166.1 | 166.5 | -164.3 | 0 | 0 | 113.4 | D243 V247 | D243-E245 VanDerWaalsContact C-N 3.33Å; E245-V247 PolarHBondContact O-N 3.38Å |
| 246 | Y | 54.7 | Low | 60.5 | Low | 212 Ų | 212 | 124.8 Ų | 124.8 | 83% | 0.831 | 70% | 0.697 | S | S | * | * | | | trans | -79.3 | 56.4 | 175.8 | -159.6 | -98.6 | 0 | 0 | 0 | 113.1 | | |
| 247 | V | 50.7 | Low | 58.7 | Low | 116 Ų | 116 | 130.2 Ų | 130.2 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | | | trans | -101.1 | 113.3 | 164.6 | -178.9 | 0 | 0 | 0 | 0 | 107.7 | E245 | E245-V247 PolarHBondContact O-N 3.38Š|
| 248 | P | 50.6 | Low | 57.3 | Low | 97 Ų | 97 | 133.2 Ų | 133.2 | 63% | 0.63 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 139.2 | -179.8 | 26 | -33.8 | 0 | 0 | 0 | 110.7 | A250 | P248-A250 PolarHBondContact O-N 3.25Š|
| 249 | P | 48 | Very low | 56 | Low | 130 Ų | 130 | 136 Ų | 136 | 84% | 0.844 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 122.5 | -171.7 | 25.6 | -34.3 | 0 | 0 | 0 | 111.8 | | |
| 250 | A | 41.3 | Very low | 54.9 | Low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 144.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P248 | P248-A250 PolarHBondContact O-N 3.25Š|
| 251 | P | 39.9 | Very low | 53.8 | Low | 130 Ų | 130 | 138.4 Ų | 138.4 | 84% | 0.844 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 137.8 | -174.2 | 28 | -35.3 | 0 | 0 | 0 | 112.7 | D253 | P251-D253 PolarHBondContact O-N 2.67Š|
| 252 | T | 45.3 | Very low | 52.9 | Low | 143 Ų | 143 | 134.1 Ų | 134.1 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -85.8 | 88 | -176.5 | 53.6 | 0 | 0 | 0 | 0 | 112.9 | | |
| 253 | D | 44.3 | Very low | 52.3 | Low | 155 Ų | 155 | 137.5 Ų | 137.5 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | | | trans | -160.4 | 108 | 141.1 | -146.2 | -26.2 | 0 | 0 | 0 | 113.4 | P251 | P251-D253 PolarHBondContact O-N 2.67Š|
| 254 | A | 38.8 | Very low | 52.2 | Low | 95 Ų | 95 | 136.8 Ų | 136.8 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | trans | -160.6 | 100.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 255 | K | 41.1 | Very low | 52.6 | Low | 189 Ų | 189 | 134.5 Ų | 134.5 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 132.2 | 174.8 | -174.5 | 177.2 | -176.2 | 175.2 | 0 | 111.2 | K257 | K255-K257 PolarHBondContact O-N 2.64Š|
| 256 | P | 43 | Very low | 53.2 | Low | 121 Ų | 121 | 132.1 Ų | 132.1 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 134.8 | -178.8 | 25.3 | -34.3 | 0 | 0 | 0 | 111.1 | | |
| 257 | K | 47.3 | Very low | 54.3 | Low | 192 Ų | 192 | 127 Ų | 127 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 143.2 | 165.2 | -72.6 | 178 | 179.4 | 172.6 | 0 | 108.7 | K255 V259 | K255-K257 PolarHBondContact O-N 2.64Å; K257-V259 PolarHBondContact O-N 2.88Å; K257-V259 VanDerWaalsContact O-N 3.17Å |
| 258 | D | 51.6 | Low | 55.7 | Low | 166 Ų | 166 | 123.5 Ų | 123.5 | 89% | 0.888 | 72% | 0.717 | S | S | * | * | | | trans | -66.9 | 111 | 177.3 | -165.6 | 16.6 | 0 | 0 | 0 | 109.5 | | |
| 259 | V | 54.2 | Low | 57.3 | Low | 114 Ų | 114 | 123.7 Ų | 123.7 | 69% | 0.691 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -103 | 128.5 | 175 | 176.2 | 0 | 0 | 0 | 0 | 106.3 | K257 K261 | K257-V259 PolarHBondContact O-N 2.88Å; K257-V259 VanDerWaalsContact O-N 3.17Å; V259-K261 PolarHBondContact O-N 2.82Å |
| 260 | P | 56.3 | Low | 58.6 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 132.4 | -179.8 | 23.3 | -33.8 | 0 | 0 | 0 | 110.1 | | |
| 261 | K | 65.6 | Low | 60.4 | Low | 192 Ų | 192 | 122 Ų | 122 | 84% | 0.835 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 133.4 | -174.1 | -163.1 | 174.9 | -173.6 | 178.9 | 0 | 110.2 | V259 L263 | V259-K261 PolarHBondContact O-N 2.82Å; K261-L263 PolarHBondContact O-N 3.41Å |
| 262 | P | 58.6 | Low | 62.2 | Low | 118 Ų | 118 | 121.8 Ų | 121.8 | 77% | 0.766 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 136.7 | 175.1 | 24.7 | -33.8 | 0 | 0 | 0 | 109.3 | | |
| 263 | L | 65.4 | Low | 63.7 | Low | 119 Ų | 119 | 118.4 Ų | 118.4 | 62% | 0.623 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -50.4 | 139.3 | -173.4 | -60.2 | 171.4 | 0 | 0 | 0 | 110.7 | K261 E267 | K261-L263 PolarHBondContact O-N 3.41Å; L263-E267 HydrophobicContact CB-CB 4.48Å; L263-E267 HydrophobicContact CD2-CG 4.22Å |
| 264 | S | 72.1 | Confident | 64.9 | Low | 59 Ų | 59 | 117.7 Ų | 117.7 | 41% | 0.413 | 66% | 0.657 | S | S | . | * | P | Polyproline II helix | trans | -60.2 | 150.2 | 175 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | D266 E267 A268 | S264-D266 PolarHBondContact O-N 3.35Å; S264-D266 PolarHBondContact OG-N 3.3Å; S264-D266 PolarHBondContact OG-OD2 3.44Å; S264-E267 PolarHBondContact N-OE2 3.12Å; S264-E267 WeakPolarHBondContact O-CB 3.49Å; S264-E267 PolarHBondContact O-N 3.32Å; S264-A268 PolarHBondContact O-N 3.02Å |
| 265 | T | 72.2 | Confident | 66.5 | Low | 108 Ų | 108 | 116.4 Ų | 116.4 | 66% | 0.663 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -56 | -34.1 | 171.3 | -47 | 0 | 0 | 0 | 0 | 111 | L269 | T265-L269 HydrophobicContact CG2-CD1 4.39Å; T265-L269 WeakPolarHBondContact O-CB 3.4Å; T265-L269 VanDerWaalsContact O-CG 3.23Å; T265-L269 WeakPolarHBondContact O-CG 3.47Å; T265-L269 PolarHBondContact O-N 3.01Å |
| 266 | D | 75.4 | Confident | 67.4 | Low | 119 Ų | 119 | 115 Ų | 115 | 64% | 0.636 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.2 | -35.6 | 173.6 | -56.3 | -53.3 | 0 | 0 | 0 | 113.2 | S264 L269 D270 | S264-D266 PolarHBondContact O-N 3.35Å; S264-D266 PolarHBondContact OG-N 3.3Å; S264-D266 PolarHBondContact OG-OD2 3.44Å; D266-L269 PolarHBondContact O-N 3.07Å; D266-D270 PolarHBondContact O-N 3.39Å |
| 267 | E | 78.4 | Confident | 67.8 | Low | 103 Ų | 103 | 114.2 Ų | 114.2 | 48% | 0.481 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -76.4 | -33.3 | -178.3 | -169.7 | 172.8 | -167.1 | 0 | 0 | 111.4 | L263 S264 S271 | L263-E267 HydrophobicContact CB-CB 4.48Å; L263-E267 HydrophobicContact CD2-CG 4.22Å; S264-E267 PolarHBondContact N-OE2 3.12Å; S264-E267 WeakPolarHBondContact O-CB 3.49Å; S264-E267 PolarHBondContact O-N 3.32Å; E267-S271 WeakPolarHBondContact O-CB 2.97Å; E267-S271 PolarHBondContact O-N 3.48Å; E267-S271 PolarHBondContact O-OG 2.95Å |
| 268 | A | 81.5 | Confident | 67.5 | Low | 43 Ų | 43 | 110.7 Ų | 110.7 | 36% | 0.355 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -66.5 | -38.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S264 L272 | S264-A268 PolarHBondContact O-N 3.02Å; A268-L272 WeakPolarHBondContact O-CG 3.34Å; A268-L272 PolarHBondContact O-N 3.12Å; A268-L272 VanDerWaalsContact O-N 3.07Å |
| 269 | L | 82.4 | Confident | 67.1 | Low | 101 Ų | 101 | 108.9 Ų | 108.9 | 53% | 0.529 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.8 | -37.6 | 176.5 | -74 | 169.5 | 0 | 0 | 0 | 112.7 | T265 D266 L272 S273 | T265-L269 HydrophobicContact CG2-CD1 4.39Å; T265-L269 WeakPolarHBondContact O-CB 3.4Å; T265-L269 VanDerWaalsContact O-CG 3.23Å; T265-L269 WeakPolarHBondContact O-CG 3.47Å; T265-L269 PolarHBondContact O-N 3.01Å; D266-L269 PolarHBondContact O-N 3.07Å; L269-L272 WeakPolarHBondContact O-CB 3.4Å; L269-L272 PolarHBondContact O-N 3.32Å; L269-S273 WeakPolarHBondContact O-CB 3.4Å; L269-S273 PolarHBondContact O-N 3.37Å |
| 270 | D | 76.7 | Confident | 66.3 | Low | 102 Ų | 102 | 107.4 Ų | 107.4 | 55% | 0.545 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.9 | -38.1 | 175.2 | -161.1 | 43 | 0 | 0 | 0 | 111.4 | D266 L272 S273 M274 | D266-D270 PolarHBondContact O-N 3.39Å; D270-L272 VanDerWaalsContact C-N 3.28Å; D270-L272 PolarHBondContact O-N 3.35Å; D270-S273 WeakPolarHBondContact O-CA 3.43Å; D270-S273 VanDerWaalsContact O-CB 3.29Å; D270-S273 WeakPolarHBondContact O-CB 3.14Å; D270-S273 PolarHBondContact O-N 2.89Å; D270-M274 PolarHBondContact O-N 3.22Å |
| 271 | S | 79.1 | Confident | 65.6 | Low | 79 Ų | 79 | 108.4 Ų | 108.4 | 55% | 0.552 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -58.4 | -38 | 170.4 | -60.6 | 0 | 0 | 0 | 0 | 112.5 | E267 | E267-S271 WeakPolarHBondContact O-CB 2.97Å; E267-S271 PolarHBondContact O-N 3.48Å; E267-S271 PolarHBondContact O-OG 2.95Å |
| 272 | L | 77.9 | Confident | 64.2 | Low | 125 Ų | 125 | 105 Ų | 105 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.6 | -36.2 | 172.4 | -79.5 | 161.6 | 0 | 0 | 0 | 112.6 | A268 L269 D270 G275 | A268-L272 WeakPolarHBondContact O-CG 3.34Å; A268-L272 PolarHBondContact O-N 3.12Å; A268-L272 VanDerWaalsContact O-N 3.07Å; L269-L272 WeakPolarHBondContact O-CB 3.4Å; L269-L272 PolarHBondContact O-N 3.32Å; D270-L272 VanDerWaalsContact C-N 3.28Å; D270-L272 PolarHBondContact O-N 3.35Å; L272-G275 PolarHBondContact O-N 3.1Å |
| 273 | S | 76.2 | Confident | 63 | Low | 72 Ų | 72 | 103.5 Ų | 103.5 | 50% | 0.503 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.9 | -46.4 | 177.6 | -170 | 0 | 0 | 0 | 0 | 111.9 | L269 D270 G275 F276 | L269-S273 WeakPolarHBondContact O-CB 3.4Å; L269-S273 PolarHBondContact O-N 3.37Å; D270-S273 WeakPolarHBondContact O-CA 3.43Å; D270-S273 VanDerWaalsContact O-CB 3.29Å; D270-S273 WeakPolarHBondContact O-CB 3.14Å; D270-S273 PolarHBondContact O-N 2.89Å; S273-G275 PolarHBondContact O-N 3.31Å; S273-F276 PolarHBondContact O-N 3.41Å |
| 274 | M | 69.2 | Low | 61.7 | Low | 140 Ų | 140 | 103.8 Ų | 103.8 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -59.3 | -27.3 | 175.3 | -68.4 | -166.3 | 75.4 | 0 | 0 | 113.2 | D270 F276 T277 | D270-M274 PolarHBondContact O-N 3.22Å; M274-F276 VanDerWaalsContact C-N 3.25Å; M274-F276 PolarHBondContact O-N 3.38Å; M274-T277 PolarHBondContact O-OG1 2.92Å |
| 275 | G | 72.6 | Confident | 59.7 | Low | 67 Ų | 67 | 111 Ų | 111 | 69% | 0.691 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -16.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L272 S273 | L272-G275 PolarHBondContact O-N 3.1Å; S273-G275 PolarHBondContact O-N 3.31Å |
| 276 | F | 59.7 | Low | 58 | Low | 161 Ų | 161 | 114.4 Ų | 114.4 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -20 | -176.7 | -125.7 | -99.8 | 0 | 0 | 0 | 113.8 | S273 M274 S278 | S273-F276 PolarHBondContact O-N 3.41Å; M274-F276 VanDerWaalsContact C-N 3.25Å; M274-F276 PolarHBondContact O-N 3.38Å; F276-S278 VanDerWaalsContact C-N 3.33Å; F276-S278 PolarHBondContact O-N 3.07Å |
| 277 | T | 52 | Low | 56.2 | Low | 104 Ų | 104 | 116.8 Ų | 116.8 | 64% | 0.638 | 69% | 0.685 | S | S | * | * | | | trans | -82.2 | 73.5 | 178.1 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | M274 T279 | M274-T277 PolarHBondContact O-OG1 2.92Å; T277-T279 PolarHBondContact O-N 2.89Å |
| 278 | S | 40.5 | Very low | 53.8 | Low | 118 Ų | 118 | 120.9 Ų | 120.9 | 83% | 0.825 | 70% | 0.704 | S | S | * | * | | | trans | -62.4 | 96.8 | 175.8 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | F276 | F276-S278 VanDerWaalsContact C-N 3.33Å; F276-S278 PolarHBondContact O-N 3.07Å |
| 279 | T | 44.1 | Very low | 51.4 | Low | 128 Ų | 128 | 125.8 Ų | 125.8 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | -88.2 | 109.6 | 168.3 | -63.6 | 0 | 0 | 0 | 0 | 108.1 | T277 | T277-T279 PolarHBondContact O-N 2.89Š|
| 280 | A | 37.3 | Very low | 48.9 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -65 | 138.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112 | S282 | A280-S282 PolarHBondContact O-N 3.32Š|
| 281 | P | 41.1 | Very low | 46.6 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -75 | 125.4 | -178.6 | 29.9 | -34.1 | 0 | 0 | 0 | 111.5 | | |
| 282 | S | 35 | Very low | 44.3 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 84% | 0.839 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 141.4 | 166.8 | -169.4 | 0 | 0 | 0 | 0 | 110.7 | A280 | A280-S282 PolarHBondContact O-N 3.32Š|
| 283 | A | 33.6 | Very low | 42 | Very low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 150.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 284 | P | 39.2 | Very low | 39.7 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 141.2 | -169.3 | 31.9 | -36.2 | 0 | 0 | 0 | 113.8 | | |
| 285 | K | 30.6 | Very low | 37.9 | Very low | 210 Ų | 210 | 134.5 Ų | 134.5 | 91% | 0.913 | 77% | 0.773 | S | S | * | * | | | trans | -135.5 | 153.3 | 159.1 | -71.9 | -170.4 | 177.5 | 177.4 | 0 | 110.5 | | |
| 286 | K | 35.9 | Very low | 35.7 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 79% | 0.787 | 77% | 0.77 | S | S | * | * | | | trans | -83.7 | 157.7 | -172.7 | -61.2 | -179.3 | 178.9 | -179.2 | 0 | 112.1 | | |
| 287 | Q | 36.8 | Very low | 34.3 | Very low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | 21.7 | 119.3 | 139.1 | -54.3 | 164.7 | -73.5 | 0 | 0 | 115.3 | | |
| 288 | E | 29.2 | Very low | 33.2 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | | | | -165.7 | 170.5 | 84.2 | -102.2 | 179.9 | 167.9 | 0 | 0 | 116.5 | | |
| 289 | I | 30 | Very low | 32.8 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | trans | -62.8 | 155.4 | -177.9 | -73.6 | 158.7 | 0 | 0 | 0 | 115 | | |
| 290 | L | 30.3 | Very low | 32.1 | Very low | 153 Ų | 153 | 143.4 Ų | 143.4 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | | | trans | 68.3 | 156.1 | 172 | -69.3 | 160.3 | 0 | 0 | 0 | 115.9 | | |
| 291 | T | 28.3 | Very low | 31.8 | Very low | 126 Ų | 126 | 147 Ų | 147 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | cis | -138.1 | 156 | 11.7 | -24.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 292 | L | 31.5 | Very low | 31.3 | Very low | 140 Ų | 140 | 147.3 Ų | 147.3 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 116.2 | 174.1 | -173.9 | 162.2 | 0 | 0 | 0 | 110.2 | V294 | L292-V294 HydrophobicContact CD2-CG2 3.6Š|
| 293 | T | 29.1 | Very low | 30.9 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 86% | 0.859 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 123.2 | 171.2 | -59.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 294 | V | 26.7 | Very low | 30.6 | Very low | 85 Ų | 85 | 151.2 Ų | 151.2 | 52% | 0.515 | 76% | 0.762 | S | S | . | * | P | Polyproline II helix | trans | -87 | 132.5 | -170.1 | 169 | 0 | 0 | 0 | 0 | 112.8 | L292 V296 | L292-V294 HydrophobicContact CD2-CG2 3.6Å; V294-V296 HydrophobicContact CG1-CB 3.67Å; V294-V296 HydrophobicContact CG1-CG2 3.5Å; V294-V296 VanDerWaalsContact CG1-CG2 3.5Å |
| 295 | N | 32.2 | Very low | 30.1 | Very low | 158 Ų | 158 | 153.4 Ų | 153.4 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | | | trans | -166.7 | 91.7 | 140.4 | -87.8 | -28 | 0 | 0 | 0 | 104.6 | | |
| 296 | V | 27.7 | Very low | 29.9 | Very low | 106 Ų | 106 | 151 Ų | 151 | 64% | 0.642 | 76% | 0.756 | S | S | * | * | | | | 58.2 | 130.4 | 56.9 | 158.2 | 0 | 0 | 0 | 0 | 112.9 | V294 | V294-V296 HydrophobicContact CG1-CB 3.67Å; V294-V296 HydrophobicContact CG1-CG2 3.5Å; V294-V296 VanDerWaalsContact CG1-CG2 3.5Å |
| 297 | L | 29.6 | Very low | 29.8 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | | | trans | 72.7 | 123.4 | -165.2 | -44.5 | -174.8 | 0 | 0 | 0 | 113 | | |
| 298 | L | 29.5 | Very low | 29.5 | Very low | 159 Ų | 159 | 147.8 Ų | 147.8 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | | | cis | -144.6 | 156 | 2.4 | -157.3 | 67.5 | 0 | 0 | 0 | 113 | | |
| 299 | F | 30.8 | Very low | 29.5 | Very low | 172 Ų | 172 | 143 Ų | 143 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | trans | -86.2 | 155.3 | -176.7 | -93.6 | -95.6 | 0 | 0 | 0 | 114.1 | | |
| 300 | K | 30.3 | Very low | 29.7 | Very low | 175 Ų | 175 | 142.1 Ų | 142.1 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | | | trans | 67.9 | 162.5 | 150.1 | -71.7 | 161.3 | -179.7 | 170.4 | 0 | 115.7 | | |
| 301 | K | 30.5 | Very low | 29.7 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 68% | 0.683 | 76% | 0.758 | S | S | * | * | | | cis | -142 | 123.6 | 6.9 | -157.8 | 168.7 | 179.3 | -155.4 | 0 | 111.6 | | |
| 302 | E | 29.5 | Very low | 30.1 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 67% | 0.668 | 75% | 0.753 | S | S | * | * | | | | 39.8 | 140.4 | 115 | -126.6 | 165.1 | -159.5 | 0 | 0 | 120.8 | | |
| 303 | E | 28 | Very low | 29.8 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | | | trans | 72.5 | 156.2 | 148.5 | -103.9 | -169 | 141.1 | 0 | 0 | 118.7 | | |
| 304 | I | 27 | Very low | 29.8 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | | | cis | -132.7 | 160.7 | 3.6 | -52.3 | 174.7 | 0 | 0 | 0 | 110.4 | | |
| 305 | K | 29.1 | Very low | 29.8 | Very low | 171 Ų | 171 | 150 Ų | 150 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | | | trans | -53.4 | 154.5 | 167.2 | -51.5 | 140.4 | -178.5 | 166.2 | 0 | 113.9 | | |
| 306 | N | 26.6 | Very low | 29.5 | Very low | 159 Ų | 159 | 147.6 Ų | 147.6 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | | | | 176 | 144.4 | 112.9 | -87.1 | -15.7 | 0 | 0 | 0 | 115.1 | | |
| 307 | L | 32.4 | Very low | 29.3 | Very low | 166 Ų | 166 | 150.7 Ų | 150.7 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | | | trans | -83.9 | 157.3 | 164.2 | -67.5 | 158.7 | 0 | 0 | 0 | 109.3 | | |
| 308 | P | 30.7 | Very low | 29.2 | Very low | 117 Ų | 117 | 148.2 Ų | 148.2 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | | -132.4 | 168.8 | 63 | 19.2 | 6.5 | 0 | 0 | 0 | 113.4 | | |
| 309 | A | 29.5 | Very low | 29.1 | Very low | 90 Ų | 90 | 146.7 Ų | 146.7 | 74% | 0.744 | 76% | 0.757 | S | S | * | * | | | cis | 66.1 | 149.9 | 49.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 310 | P | 34.1 | Very low | 28.7 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | | | cis | -136 | -161.3 | 5.6 | 38.7 | -16.3 | 0 | 0 | 0 | 115.5 | | |
| 311 | K | 30.9 | Very low | 28.6 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | trans | -78.1 | -174.5 | 160.5 | -56.6 | 178.6 | 179.4 | 176.7 | 0 | 110 | | |
| 312 | P | 36.9 | Very low | 29.6 | Very low | 104 Ų | 104 | 137.7 Ų | 137.7 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | cis | -148.7 | 176.9 | 9.1 | 45.2 | -24.3 | 0 | 0 | 0 | 119.9 | | |
| 313 | E | 25.3 | Very low | 29.9 | Very low | 145 Ų | 145 | 137.2 Ų | 137.2 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | | | trans | 66.1 | 133 | 138.6 | -81.8 | 174.6 | -130.5 | 0 | 0 | 127.7 | | |
| 314 | K | 28.9 | Very low | 30 | Very low | 178 Ų | 178 | 136.4 Ų | 136.4 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | | | trans | 93.9 | 118 | 133.3 | -81.2 | 167.3 | 177.6 | 150.1 | 0 | 124.8 | | |
| 315 | K | 25.6 | Very low | 29.9 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 81% | 0.809 | 78% | 0.782 | S | S | * | * | | | trans | 81.6 | 114.5 | 132 | -95.4 | -156 | 168.7 | -166.8 | 0 | 125.1 | | |
| 316 | V | 26.7 | Very low | 29.8 | Very low | 109 Ų | 109 | 131 Ų | 131 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | | | | 71.7 | 130 | 110.5 | 159.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 317 | E | 23.1 | Very low | 29.8 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | | | trans | 54.6 | 159.9 | 161.3 | -105 | 69.5 | -178.9 | 0 | 0 | 121.1 | | |
| 318 | S | 27.5 | Very low | 29.6 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | cis | -162.7 | 168.3 | -2.4 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 319 | S | 27.5 | Very low | 29.8 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | trans | 71.7 | 145.4 | 142.1 | -159.6 | 0 | 0 | 0 | 0 | 123.6 | | |
| 320 | G | 22.2 | Very low | 29.6 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | | | trans | 144.5 | 136.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 321 | V | 28.3 | Very low | 29.4 | Very low | 142 Ų | 142 | 134 Ų | 134 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | | | trans | -158.3 | 162.6 | -177 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 322 | P | 52.1 | Low | 29.1 | Very low | 104 Ų | 104 | 128.5 Ų | 128.5 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | | | cis | -114.9 | -156.1 | -37.8 | 36.7 | -17.9 | 0 | 0 | 0 | 112 | | |
| 323 | P | 35.3 | Very low | 29 | Very low | 133 Ų | 133 | 132.8 Ų | 132.8 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | | -145.9 | -166.8 | 107.6 | 39.2 | -22.4 | 0 | 0 | 0 | 116.6 | | |
| 324 | V | 29.2 | Very low | 29 | Very low | 135 Ų | 135 | 132.1 Ų | 132.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -124.2 | 144.2 | -155.5 | 161.8 | 0 | 0 | 0 | 0 | 116 | | |
| 325 | S | 26.5 | Very low | 28.9 | Very low | 123 Ų | 123 | 127.2 Ų | 127.2 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | 165.1 | 156.7 | 138 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 326 | G | 26.7 | Very low | 29.1 | Very low | 69 Ų | 69 | 123 Ų | 123 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | | | cis | 171.6 | 157.8 | -13.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 327 | K | 26.6 | Very low | 29.4 | Very low | 225 Ų | 225 | 124.1 Ų | 124.1 | 98% | 0.978 | 80% | 0.799 | S | S | * | * | | | trans | 79.8 | 142 | 167.3 | -64.1 | -177.8 | 177.4 | 176.3 | 0 | 121.7 | | |
| 328 | K | 28.4 | Very low | 29.8 | Very low | 181 Ų | 181 | 123.6 Ų | 123.6 | 79% | 0.787 | 80% | 0.802 | S | S | * | * | | | trans | -123.3 | 149.4 | 166.9 | -161 | -160.4 | 177.8 | 174.7 | 0 | 108.2 | | |
| 329 | P | 34.2 | Very low | 30.3 | Very low | 119 Ų | 119 | 127.9 Ų | 127.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | | -133 | -169.4 | 95.1 | 41.1 | -29.7 | 0 | 0 | 0 | 110 | | |
| 330 | S | 26.3 | Very low | 31.1 | Very low | 93 Ų | 93 | 126.4 Ų | 126.4 | 65% | 0.65 | 80% | 0.795 | S | S | * | * | | | cis | -125.6 | -174.9 | -1.7 | -78 | 0 | 0 | 0 | 0 | 108.4 | | |
| 331 | A | 29.8 | Very low | 31.8 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | | | cis | 100.3 | 95.1 | 0.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 332 | G | 24.9 | Very low | 31.9 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 81% | 0.814 | 80% | 0.8 | S | S | * | * | | | trans | -173.5 | 153.6 | 172 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 333 | K | 34.4 | Very low | 31.4 | Very low | 195 Ų | 195 | 133 Ų | 133 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | trans | -158 | 156.7 | -165.8 | -158.5 | -168.9 | 176.2 | -176.7 | 0 | 114.2 | | |
| 334 | T | 24.7 | Very low | 31.4 | Very low | 131 Ų | 131 | 136 Ų | 136 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | 80.5 | 155.7 | 163 | 71.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 335 | G | 27.2 | Very low | 32.4 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | | | trans | 93.4 | 107.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 336 | A | 29.9 | Very low | 33 | Very low | 97 Ų | 97 | 131 Ų | 131 | 80% | 0.802 | 80% | 0.802 | S | S | * | * | | | cis | 104.6 | 105.1 | 15.8 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 337 | V | 33.5 | Very low | 34 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | | | trans | 57.3 | 113.4 | 154.2 | -174.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 338 | D | 31.3 | Very low | 35.2 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | | -157.6 | 171.4 | 114.7 | -121.4 | -35.8 | 0 | 0 | 0 | 113.9 | | |
| 339 | K | 37.1 | Very low | 36.6 | Very low | 190 Ų | 190 | 128.7 Ų | 128.7 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | -146.9 | 172.8 | -173.4 | -128.3 | -168.8 | 172.8 | 179.1 | 0 | 109 | | |
| 340 | P | 45.6 | Very low | 38 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 63% | 0.63 | 79% | 0.787 | S | S | * | * | | | cis | -134.9 | -178.1 | -12.6 | 43.5 | -27.6 | 0 | 0 | 0 | 115.1 | | |
| 341 | K | 34.9 | Very low | 39.9 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | 61 | 121.7 | 153.8 | -74.9 | -178.2 | 174.1 | -171.7 | 0 | 120.7 | | |
| 342 | S | 31.7 | Very low | 41.8 | Very low | 118 Ų | 118 | 129.7 Ų | 129.7 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | | -152.7 | 147.2 | 104.2 | -168 | 0 | 0 | 0 | 0 | 110.1 | | |
| 343 | D | 42.2 | Very low | 44.1 | Very low | 142 Ų | 142 | 130.2 Ų | 130.2 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | -80.4 | 134.5 | 171 | -59.2 | -94.8 | 0 | 0 | 0 | 110.6 | | |
| 344 | Q | 35.1 | Very low | 45.8 | Very low | 196 Ų | 196 | 124.1 Ų | 124.1 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | | | trans | -156.9 | 148.3 | 142.3 | -154.5 | 117 | 23.8 | 0 | 0 | 108.3 | | |
| 345 | G | 49.6 | Very low | 48.1 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | | | trans | -68.7 | 139.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 346 | G | 38.4 | Very low | 50.3 | Low | 71 Ų | 71 | 122.3 Ų | 122.3 | 73% | 0.732 | 72% | 0.716 | S | S | * | * | | | trans | -138.7 | 137.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 347 | E | 47.4 | Very low | 52.3 | Low | 184 Ų | 184 | 122.2 Ų | 122.2 | 86% | 0.86 | 71% | 0.705 | S | S | * | * | | | trans | -45.2 | 151.8 | -174.8 | -65.8 | 122.8 | -130.7 | 0 | 0 | 116 | S349 | E347-S349 PolarHBondContact O-N 3.23Š|
| 348 | M | 52.8 | Low | 54.1 | Low | 164 Ų | 164 | 123 Ų | 123 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | | | trans | -51.4 | 115.9 | 171.3 | -52 | -64.6 | -165.6 | 0 | 0 | 109.6 | L350 | M348-L350 PolarHBondContact O-N 2.71Š|
| 349 | S | 56.9 | Low | 55.8 | Low | 79 Ų | 79 | 120 Ų | 120 | 55% | 0.552 | 69% | 0.693 | S | S | * | * | | | trans | -60.3 | 123.9 | -176.7 | -45.7 | 0 | 0 | 0 | 0 | 110.2 | E347 D351 A352 L353 | E347-S349 PolarHBondContact O-N 3.23Å; S349-D351 PolarHBondContact O-N 3.08Å; S349-D351 VanDerWaalsContact O-N 3.07Å; S349-A352 WeakPolarHBondContact O-CB 3.46Å; S349-A352 PolarHBondContact O-N 3.05Å; S349-L353 PolarHBondContact O-N 3.5Å |
| 350 | L | 64.6 | Low | 57 | Low | 137 Ų | 137 | 116.8 Ų | 116.8 | 72% | 0.717 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -56.7 | -27.4 | 178.4 | -68.1 | 178.8 | 0 | 0 | 0 | 112.5 | M348 A352 L353 S354 | M348-L350 PolarHBondContact O-N 2.71Å; L350-A352 VanDerWaalsContact C-N 3.33Å; L350-A352 PolarHBondContact O-N 3.2Å; L350-L353 HydrophobicContact CD2-CD1 4.3Å; L350-L353 PolarHBondContact O-N 3.38Å; L350-S354 WeakPolarHBondContact O-CB 3.25Å; L350-S354 PolarHBondContact O-N 3.43Å; L350-S354 PolarHBondContact O-OG 2.9Å |
| 351 | D | 66.9 | Low | 57.7 | Low | 137 Ų | 137 | 117.9 Ų | 117.9 | 73% | 0.733 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -58.7 | -40.1 | 172.1 | -156 | 52.3 | 0 | 0 | 0 | 112.3 | S349 S354 A355 | S349-D351 PolarHBondContact O-N 3.08Å; S349-D351 VanDerWaalsContact O-N 3.07Å; D351-S354 PolarHBondContact O-N 3.09Å; D351-A355 WeakPolarHBondContact O-CB 3.35Å; D351-A355 PolarHBondContact O-N 3.16Å |
| 352 | A | 68.1 | Low | 59.1 | Low | 64 Ų | 64 | 117.5 Ų | 117.5 | 53% | 0.529 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -75 | -26.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S349 L350 L356 | S349-A352 WeakPolarHBondContact O-CB 3.46Å; S349-A352 PolarHBondContact O-N 3.05Å; L350-A352 VanDerWaalsContact C-N 3.33Å; L350-A352 PolarHBondContact O-N 3.2Å; A352-L356 PolarHBondContact O-N 3.38Å |
| 353 | L | 73.4 | Confident | 59.9 | Low | 90 Ų | 90 | 119.5 Ų | 119.5 | 47% | 0.471 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -77 | -36.8 | 171 | -65.6 | 177.5 | 0 | 0 | 0 | 111.5 | S349 L350 L356 V357 | S349-L353 PolarHBondContact O-N 3.5Å; L350-L353 HydrophobicContact CD2-CD1 4.3Å; L350-L353 PolarHBondContact O-N 3.38Å; L353-L356 WeakPolarHBondContact O-CB 3.4Å; L353-L356 PolarHBondContact O-N 3.12Å; L353-L356 VanDerWaalsContact O-N 3.12Å; L353-V357 WeakPolarHBondContact O-CG2 3.22Å; L353-V357 PolarHBondContact O-N 3.5Å |
| 354 | S | 69.9 | Low | 60.7 | Low | 67 Ų | 67 | 121.1 Ų | 121.1 | 47% | 0.469 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -63.9 | -45.2 | 173.4 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | L350 D351 L356 V357 D358 | L350-S354 WeakPolarHBondContact O-CB 3.25Å; L350-S354 PolarHBondContact O-N 3.43Å; L350-S354 PolarHBondContact O-OG 2.9Å; D351-S354 PolarHBondContact O-N 3.09Å; S354-L356 PolarHBondContact O-N 3.16Å; S354-V357 WeakPolarHBondContact O-CB 3.25Å; S354-V357 PolarHBondContact O-N 2.96Å; S354-V357 VanDerWaalsContact O-N 3.13Å; S354-D358 PolarHBondContact O-N 3.27Å; S354-D358 VanDerWaalsContact O-N 3.09Å |
| 355 | A | 73.6 | Confident | 61.5 | Low | 59 Ų | 59 | 118 Ų | 118 | 49% | 0.488 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -61.7 | -23.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | D351 T359 | D351-A355 WeakPolarHBondContact O-CB 3.35Å; D351-A355 PolarHBondContact O-N 3.16Å; A355-T359 WeakPolarHBondContact O-CG2 3.45Å |
| 356 | L | 72.9 | Confident | 61.6 | Low | 108 Ų | 108 | 123.2 Ų | 123.2 | 57% | 0.565 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -81 | -37 | 174 | -161.9 | 70.3 | 0 | 0 | 0 | 111.8 | A352 L353 S354 D358 T359 L360 | A352-L356 PolarHBondContact O-N 3.38Å; L353-L356 WeakPolarHBondContact O-CB 3.4Å; L353-L356 PolarHBondContact O-N 3.12Å; L353-L356 VanDerWaalsContact O-N 3.12Å; S354-L356 PolarHBondContact O-N 3.16Å; L356-D358 VanDerWaalsContact C-N 3.34Å; L356-T359 PolarHBondContact O-N 2.96Å; L356-T359 PolarHBondContact O-OG1 3.44Å; L356-L360 PolarHBondContact O-N 3.48Å |
| 357 | V | 73.4 | Confident | 62.2 | Low | 95 Ų | 95 | 125.5 Ų | 125.5 | 58% | 0.576 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -59 | -44.8 | 172.6 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | L353 S354 T359 L360 | L353-V357 WeakPolarHBondContact O-CG2 3.22Å; L353-V357 PolarHBondContact O-N 3.5Å; S354-V357 WeakPolarHBondContact O-CB 3.25Å; S354-V357 PolarHBondContact O-N 2.96Å; S354-V357 VanDerWaalsContact O-N 3.13Å; V357-T359 PolarHBondContact O-N 2.91Å; V357-T359 VanDerWaalsContact O-N 3.13Å; V357-L360 WeakPolarHBondContact O-CB 3.26Å; V357-L360 PolarHBondContact O-N 2.81Å |
| 358 | D | 69.8 | Low | 62.4 | Low | 148 Ų | 148 | 123.8 Ų | 123.8 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -9.8 | 175.4 | -82.3 | 3.3 | 0 | 0 | 0 | 114.1 | S354 L356 | S354-D358 PolarHBondContact O-N 3.27Å; S354-D358 VanDerWaalsContact O-N 3.09Å; L356-D358 VanDerWaalsContact C-N 3.34Å |
| 359 | T | 67.6 | Low | 62.7 | Low | 99 Ų | 99 | 121 Ų | 121 | 61% | 0.607 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -2.6 | 172.6 | 62.3 | 0 | 0 | 0 | 0 | 114.2 | A355 L356 V357 | A355-T359 WeakPolarHBondContact O-CG2 3.45Å; L356-T359 PolarHBondContact O-N 2.96Å; L356-T359 PolarHBondContact O-OG1 3.44Å; V357-T359 PolarHBondContact O-N 2.91Å; V357-T359 VanDerWaalsContact O-N 3.13Å |
| 360 | L | 62.2 | Low | 62.4 | Low | 121 Ų | 121 | 123 Ų | 123 | 63% | 0.634 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -74.6 | 135.2 | 168.5 | -61.7 | 176.4 | 0 | 0 | 0 | 109 | L356 V357 E362 | L356-L360 PolarHBondContact O-N 3.48Å; V357-L360 WeakPolarHBondContact O-CB 3.26Å; V357-L360 PolarHBondContact O-N 2.81Å; L360-E362 PolarHBondContact O-N 3.34Å |
| 361 | P | 61.3 | Low | 61.9 | Low | 120 Ų | 120 | 123.4 Ų | 123.4 | 78% | 0.779 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 129.5 | 178.8 | 27.2 | -33.8 | 0 | 0 | 0 | 110.3 | D363 | P361-D363 PolarHBondContact O-N 3.21Š|
| 362 | E | 62.6 | Low | 61.2 | Low | 185 Ų | 185 | 121.9 Ų | 121.9 | 86% | 0.864 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 126.4 | 177.6 | -62.2 | 176.6 | 127.3 | 0 | 0 | 111.1 | L360 K364 | L360-E362 PolarHBondContact O-N 3.34Å; E362-K364 PolarHBondContact O-N 3.24Å |
| 363 | D | 49.1 | Very low | 60.5 | Low | 161 Ų | 161 | 124.2 Ų | 124.2 | 86% | 0.861 | 68% | 0.678 | S | S | * | * | | | trans | -67.5 | 106.2 | -177.4 | -171.3 | 26.5 | 0 | 0 | 0 | 110.1 | P361 | P361-D363 PolarHBondContact O-N 3.21Š|
| 364 | K | 60.1 | Low | 59.8 | Low | 176 Ų | 176 | 125.2 Ų | 125.2 | 77% | 0.765 | 69% | 0.69 | S | S | * | * | | | trans | -68.8 | 129.1 | -176.4 | -67.2 | -175.8 | 179.7 | -180 | 0 | 108.9 | E362 K366 | E362-K364 PolarHBondContact O-N 3.24Å; K364-K366 PolarHBondContact O-N 3.38Å |
| 365 | P | 50.8 | Low | 59.2 | Low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 70% | 0.701 | S | S | * | * | | | trans | -56.8 | 115.9 | -173.6 | 21.9 | -33.2 | 0 | 0 | 0 | 110.8 | | |
| 366 | K | 51 | Low | 58.1 | Low | 192 Ų | 192 | 131.5 Ų | 131.5 | 84% | 0.835 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 138.5 | 176.1 | -126.9 | 164.1 | -173.2 | 162.1 | 0 | 109.1 | K364 E368 | K364-K366 PolarHBondContact O-N 3.38Å; K366-E368 PolarHBondContact O-N 3.09Å |
| 367 | P | 51.3 | Low | 57.2 | Low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 134.3 | 173.1 | -24.6 | 34.2 | 0 | 0 | 0 | 110.6 | | |
| 368 | E | 51.6 | Low | 56 | Low | 147 Ų | 147 | 133.7 Ų | 133.7 | 69% | 0.687 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -59 | 136.1 | 176.8 | -65.6 | -170.9 | 112.5 | 0 | 0 | 110.2 | K366 K371 | K366-E368 PolarHBondContact O-N 3.09Å; E368-K371 IonicContact OE1-NZ 2.64Å; E368-K371 PolarHBondContact OE1-NZ 3.22Å; E368-K371 IonicContact OE2-NZ 2.67Å; E368-K371 PolarHBondContact OE2-NZ 3.38Å |
| 369 | P | 60.1 | Low | 55.3 | Low | 106 Ų | 106 | 131.6 Ų | 131.6 | 69% | 0.688 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 150 | 164 | 28.8 | -33.9 | 0 | 0 | 0 | 109.4 | K371 | P369-K371 PolarHBondContact O-N 3.15Š|
| 370 | P | 50.2 | Low | 55.2 | Low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 129 | -177.7 | 23.8 | -33.6 | 0 | 0 | 0 | 110.6 | V372 | P370-V372 PolarHBondContact O-N 2.71Š|
| 371 | K | 54.5 | Low | 54.7 | Low | 147 Ų | 147 | 132.4 Ų | 132.4 | 64% | 0.639 | 73% | 0.726 | S | S | * | * | | | trans | -65.8 | 94 | 177.5 | -73 | 177.1 | 170.6 | 57.6 | 0 | 109.8 | E368 P369 K373 | E368-K371 IonicContact OE1-NZ 2.64Å; E368-K371 PolarHBondContact OE1-NZ 3.22Å; E368-K371 IonicContact OE2-NZ 2.67Å; E368-K371 PolarHBondContact OE2-NZ 3.38Å; P369-K371 PolarHBondContact O-N 3.15Å; K371-K373 PolarHBondContact O-N 3.15Å |
| 372 | V | 51.2 | Low | 54.6 | Low | 104 Ų | 104 | 136.8 Ų | 136.8 | 63% | 0.63 | 73% | 0.733 | S | S | * | * | | | trans | -53.3 | 129.9 | 164 | -178.3 | 0 | 0 | 0 | 0 | 107.5 | P370 D376 | P370-V372 PolarHBondContact O-N 2.71Å; V372-D376 HydrophobicContact CG1-CB 3.83Å |
| 373 | K | 53.6 | Low | 54.4 | Low | 114 Ų | 114 | 133.8 Ų | 133.8 | 50% | 0.496 | 73% | 0.727 | S | S | . | * | | | trans | -81.1 | 155.5 | -177.9 | -62.2 | -170.4 | -173.2 | 173.6 | 0 | 110.2 | K371 E375 D376 | K371-K373 PolarHBondContact O-N 3.15Å; K373-E375 HydrophobicContact CB-CB 4.12Å; K373-E375 WeakPolarHBondContact CD-OE2 3.49Å; K373-E375 IonicContact NZ-OE2 3.02Å; K373-E375 PolarHBondContact NZ-OE2 2.73Å; K373-E375 PolarHBondContact O-N 3.2Å; K373-E375 VanDerWaalsContact O-N 3.07Å; K373-D376 PolarHBondContact N-OD2 3.2Å; K373-D376 PolarHBondContact O-N 3.26Å |
| 374 | P | 58.6 | Low | 55 | Low | 111 Ų | 111 | 135.4 Ų | 135.4 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -56 | -23.6 | 167.6 | -24.2 | 35 | 0 | 0 | 0 | 113.2 | D376 I377 | P374-D376 VanDerWaalsContact C-N 3.33Å; P374-I377 PolarHBondContact O-N 3.41Å |
| 375 | E | 56.8 | Low | 55.1 | Low | 147 Ų | 147 | 136.2 Ų | 136.2 | 69% | 0.687 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -66.9 | -26 | 175.6 | -68.9 | 139.3 | -150.4 | 0 | 0 | 113.9 | K373 | K373-E375 HydrophobicContact CB-CB 4.12Å; K373-E375 WeakPolarHBondContact CD-OE2 3.49Å; K373-E375 IonicContact NZ-OE2 3.02Å; K373-E375 PolarHBondContact NZ-OE2 2.73Å; K373-E375 PolarHBondContact O-N 3.2Å; K373-E375 VanDerWaalsContact O-N 3.07Å |
| 376 | D | 51.8 | Low | 56 | Low | 111 Ų | 111 | 138.6 Ų | 138.6 | 59% | 0.594 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -87.2 | -8.6 | 178.3 | -61 | -55 | 0 | 0 | 0 | 112.5 | V372 K373 P374 V378 | V372-D376 HydrophobicContact CG1-CB 3.83Å; K373-D376 PolarHBondContact N-OD2 3.2Å; K373-D376 PolarHBondContact O-N 3.26Å; P374-D376 VanDerWaalsContact C-N 3.33Å; D376-V378 PolarHBondContact O-N 3.32Å |
| 377 | I | 53.2 | Low | 56.9 | Low | 120 Ų | 120 | 138 Ų | 138 | 62% | 0.615 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -91.4 | 94.7 | 176.4 | -55.4 | 177.8 | 0 | 0 | 0 | 108.2 | P374 S379 | P374-I377 PolarHBondContact O-N 3.41Å; I377-S379 PolarHBondContact O-N 3.3Å |
| 378 | V | 48.9 | Very low | 57.5 | Low | 128 Ų | 128 | 134.7 Ų | 134.7 | 78% | 0.776 | 72% | 0.718 | S | S | * | * | | | trans | -64.6 | 100.5 | 169.8 | -179.6 | 0 | 0 | 0 | 0 | 108.6 | D376 E380 | D376-V378 PolarHBondContact O-N 3.32Å; V378-E380 PolarHBondContact O-N 3.45Å |
| 379 | S | 55.8 | Low | 58.6 | Low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 72% | 0.724 | S | S | * | * | | | trans | -68.9 | 103.6 | 172.1 | 61.6 | 0 | 0 | 0 | 0 | 109.1 | I377 G381 | I377-S379 PolarHBondContact O-N 3.3Å; S379-G381 PolarHBondContact O-N 2.8Å |
| 380 | E | 64 | Low | 59.1 | Low | 172 Ų | 172 | 137.8 Ų | 137.8 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | | | trans | -53.7 | 125.9 | 173.4 | -65.7 | -169.8 | 154.6 | 0 | 0 | 109.9 | V378 K382 | V378-E380 PolarHBondContact O-N 3.45Å; E380-K382 PolarHBondContact O-N 3.15Å |
| 381 | G | 51.7 | Low | 60.4 | Low | 65 Ų | 65 | 138.1 Ų | 138.1 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | | | trans | -61.1 | 132 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S379 V383 | S379-G381 PolarHBondContact O-N 2.8Å; G381-V383 PolarHBondContact O-N 3.19Å |
| 382 | K | 59.4 | Low | 61.3 | Low | 212 Ų | 212 | 133.2 Ų | 133.2 | 92% | 0.922 | 71% | 0.714 | S | S | * | * | | | trans | -42.9 | 99.1 | -173.3 | -67.2 | -174.1 | 179 | -175.8 | 0 | 112.4 | E380 K384 | E380-K382 PolarHBondContact O-N 3.15Å; K382-K384 PolarHBondContact O-N 3.29Å; K382-K384 VanDerWaalsContact O-N 3.13Å |
| 383 | V | 57.9 | Low | 62.6 | Low | 122 Ų | 122 | 134.4 Ų | 134.4 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | | | trans | -64.1 | 116 | 179.7 | 179.9 | 0 | 0 | 0 | 0 | 108.2 | G381 Q385 | G381-V383 PolarHBondContact O-N 3.19Å; V383-Q385 PolarHBondContact O-N 3.46Å; V383-Q385 VanDerWaalsContact O-N 3.16Å |
| 384 | K | 62 | Low | 63.9 | Low | 195 Ų | 195 | 134.7 Ų | 134.7 | 85% | 0.848 | 71% | 0.711 | S | S | * | * | | | trans | -67.8 | 112.3 | 171.2 | -65.9 | 178.7 | -178.2 | 176.7 | 0 | 107.2 | K382 E386 | K382-K384 PolarHBondContact O-N 3.29Å; K382-K384 VanDerWaalsContact O-N 3.13Å; K384-E386 PolarHBondContact O-N 2.66Å |
| 385 | Q | 63.2 | Low | 64.7 | Low | 192 Ų | 192 | 134.4 Ų | 134.4 | 90% | 0.897 | 70% | 0.7 | S | S | * | * | | | trans | -69 | 96.3 | 170.2 | -74 | -174.7 | -15.7 | 0 | 0 | 108.9 | V383 K387 | V383-Q385 PolarHBondContact O-N 3.46Å; V383-Q385 VanDerWaalsContact O-N 3.16Å; Q385-K387 PolarHBondContact O-N 2.98Å |
| 386 | E | 69.3 | Low | 65.6 | Low | 181 Ų | 181 | 130.9 Ų | 130.9 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | | | trans | -71 | 120.8 | 172.3 | -172.3 | 175.4 | 159.7 | 0 | 0 | 109.3 | K384 G388 | K384-E386 PolarHBondContact O-N 2.66Å; E386-G388 VanDerWaalsContact C-N 3.32Å; E386-G388 PolarHBondContact O-N 2.89Å |
| 387 | K | 69.1 | Low | 67.2 | Low | 179 Ų | 179 | 128 Ų | 128 | 78% | 0.778 | 67% | 0.672 | S | S | * | * | | | trans | -76.6 | 86.9 | 175.3 | -169.8 | -171.1 | 177.3 | -170.5 | 0 | 109.1 | Q385 V389 | Q385-K387 PolarHBondContact O-N 2.98Å; K387-V389 PolarHBondContact O-N 2.91Å |
| 388 | G | 64.9 | Low | 68.5 | Low | 51 Ų | 51 | 125.1 Ų | 125.1 | 53% | 0.526 | 66% | 0.658 | S | S | . | * | | | trans | -50.9 | 134 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | E386 R390 | E386-G388 VanDerWaalsContact C-N 3.32Å; E386-G388 PolarHBondContact O-N 2.89Å; G388-R390 PolarHBondContact O-N 2.83Å |
| 389 | V | 75.4 | Confident | 70.1 | Confident | 133 Ų | 133 | 122.9 Ų | 122.9 | 81% | 0.806 | 65% | 0.646 | S | S | * | * | | | trans | -72.7 | 110.6 | -176.6 | 179.1 | 0 | 0 | 0 | 0 | 109.9 | K387 V391 | K387-V389 PolarHBondContact O-N 2.91Å; V389-V391 PolarHBondContact O-N 3.19Å |
| 390 | R | 69.3 | Low | 71.2 | Confident | 184 Ų | 184 | 122.5 Ų | 122.5 | 69% | 0.694 | 64% | 0.641 | S | S | * | * | | | trans | -78.5 | 98.4 | 172.1 | -76.4 | -162.9 | 167.9 | 94.4 | 4.2 | 110.9 | G388 G392 E393 | G388-R390 PolarHBondContact O-N 2.83Å; R390-G392 PolarHBondContact O-N 3.4Å; R390-E393 HydrophobicContact CB-CB 4.08Å; R390-E393 WeakPolarHBondContact CB-OE2 3.29Å; R390-E393 WeakPolarHBondContact CD-OE2 3.45Å; R390-E393 PolarHBondContact O-N 3.48Å |
| 391 | V | 77 | Confident | 72 | Confident | 128 Ų | 128 | 117.9 Ų | 117.9 | 78% | 0.776 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 125.2 | 164.7 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | V389 T397 | V389-V391 PolarHBondContact O-N 3.19Å; V391-T397 HydrophobicContact CG1-CG2 3.92Å |
| 392 | G | 74.1 | Confident | 72.9 | Confident | 43 Ų | 43 | 123.8 Ų | 123.8 | 44% | 0.443 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 106 | -11.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | R390 R394 | R390-G392 PolarHBondContact O-N 3.4Å; G392-R394 VanDerWaalsContact C-N 3.27Å; G392-R394 PolarHBondContact O-N 3.13Å |
| 393 | E | 78.6 | Confident | 74 | Confident | 129 Ų | 129 | 118.7 Ų | 118.7 | 60% | 0.603 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -77.7 | -8.6 | 179.3 | -165.2 | 178.9 | 125 | 0 | 0 | 113.5 | R390 | R390-E393 HydrophobicContact CB-CB 4.08Å; R390-E393 WeakPolarHBondContact CB-OE2 3.29Å; R390-E393 WeakPolarHBondContact CD-OE2 3.45Å; R390-E393 PolarHBondContact O-N 3.48Å |
| 394 | R | 81 | Confident | 74.8 | Confident | 121 Ų | 121 | 119.1 Ų | 119.1 | 46% | 0.457 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -117 | 139.1 | -172.7 | -55.1 | 179.7 | -57.9 | 113.1 | 21.5 | 110.8 | G392 D396 T397 | G392-R394 VanDerWaalsContact C-N 3.27Å; G392-R394 PolarHBondContact O-N 3.13Å; R394-D396 VanDerWaalsContact C-N 3.26Å; R394-D396 WeakPolarHBondContact CB-OD1 3.49Å; R394-D396 VanDerWaalsContact CZ-CG 3.48Å; R394-D396 IonicContact CZ-OD1 2.73Å; R394-D396 IonicContact CZ-OD2 3.9Å; R394-D396 IonicContact NE-OD1 3.81Å; R394-D396 IonicContact NH1-OD1 2.63Å; R394-D396 PolarHBondContact NH1-OD1 3.16Å; R394-D396 IonicContact NH1-OD2 2.66Å; R394-D396 PolarHBondContact NH1-OD2 2.92Å; R394-D396 VanDerWaalsContact NH2-CG 3.29Å; R394-D396 IonicContact NH2-OD1 3.29Å; R394-D396 PolarHBondContact NH2-OD1 3.1Å; R394-D396 IonicContact NH2-OD2 3.2Å; R394-D396 PolarHBondContact NH2-OD2 3.22Å; R394-D396 PolarHBondContact O-N 2.81Å; R394-T397 PolarHBondContact NH2-OG1 3.03Å; R394-T397 WeakPolarHBondContact O-CA 3.24Å; R394-T397 VanDerWaalsContact O-CB 3.22Å; R394-T397 WeakPolarHBondContact O-CB 3.44Å; R394-T397 PolarHBondContact O-N 3.38Å; R394-T397 PolarHBondContact O-OG1 2.91Å |
| 395 | E | 74.5 | Confident | 75.4 | Confident | 105 Ų | 105 | 113.2 Ų | 113.2 | 49% | 0.491 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -53.3 | -36.5 | -178.3 | -64 | -60.1 | 130 | 0 | 0 | 114 | T397 L398 R403 F404 | E395-T397 PolarHBondContact O-N 2.64Å; E395-L398 WeakPolarHBondContact O-CB 3.08Å; E395-L398 PolarHBondContact O-N 3.37Å; E395-R403 WeakPolarHBondContact O-CG 3.26Å; E395-F404 WeakPolarHBondContact OE2-CB 3.34Å; E395-F404 PolarHBondContact OE2-N 3.34Å |
| 396 | D | 76.2 | Confident | 75.8 | Confident | 73 Ų | 73 | 108.7 Ų | 108.7 | 39% | 0.39 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -65.8 | -20.9 | 175.8 | 72.2 | -43.3 | 0 | 0 | 0 | 113.3 | R394 L398 R403 | R394-D396 VanDerWaalsContact C-N 3.26Å; R394-D396 WeakPolarHBondContact CB-OD1 3.49Å; R394-D396 VanDerWaalsContact CZ-CG 3.48Å; R394-D396 IonicContact CZ-OD1 2.73Å; R394-D396 IonicContact CZ-OD2 3.9Å; R394-D396 IonicContact NE-OD1 3.81Å; R394-D396 IonicContact NH1-OD1 2.63Å; R394-D396 PolarHBondContact NH1-OD1 3.16Å; R394-D396 IonicContact NH1-OD2 2.66Å; R394-D396 PolarHBondContact NH1-OD2 2.92Å; R394-D396 VanDerWaalsContact NH2-CG 3.29Å; R394-D396 IonicContact NH2-OD1 3.29Å; R394-D396 PolarHBondContact NH2-OD1 3.1Å; R394-D396 IonicContact NH2-OD2 3.2Å; R394-D396 PolarHBondContact NH2-OD2 3.22Å; R394-D396 PolarHBondContact O-N 2.81Å; D396-L398 VanDerWaalsContact C-N 3.31Å; D396-R403 PolarHBondContact O-NH2 3.28Å |
| 397 | T | 84.8 | Confident | 75.8 | Confident | 49 Ų | 49 | 105.5 Ų | 105.5 | 30% | 0.301 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -83 | -12.1 | 176.4 | -41 | 0 | 0 | 0 | 0 | 111.6 | V391 R394 E395 | V391-T397 HydrophobicContact CG1-CG2 3.92Å; R394-T397 PolarHBondContact NH2-OG1 3.03Å; R394-T397 WeakPolarHBondContact O-CA 3.24Å; R394-T397 VanDerWaalsContact O-CB 3.22Å; R394-T397 WeakPolarHBondContact O-CB 3.44Å; R394-T397 PolarHBondContact O-N 3.38Å; R394-T397 PolarHBondContact O-OG1 2.91Å; E395-T397 PolarHBondContact O-N 2.64Å |
| 398 | L | 81.4 | Confident | 75.8 | Confident | 61 Ų | 61 | 102.1 Ų | 102.1 | 32% | 0.319 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -76.4 | 144.1 | 166.2 | -55.9 | 178.9 | 0 | 0 | 0 | 110 | E395 D396 Y402 R403 | E395-L398 WeakPolarHBondContact O-CB 3.08Å; E395-L398 PolarHBondContact O-N 3.37Å; D396-L398 VanDerWaalsContact C-N 3.31Å; L398-Y402 WeakPolarHBondContact CD1-O 3.42Å; L398-R403 HydrophobicContact CB-CG 4.26Å; L398-R403 PolarHBondContact O-NE 2.95Å |
| 399 | P | 81.6 | Confident | 75.8 | Confident | 80 Ų | 80 | 104.4 Ų | 104.4 | 52% | 0.519 | 54% | 0.539 | S | S | . | . | | | trans | -58 | 147.3 | 174.2 | -20.7 | 31.6 | 0 | 0 | 0 | 110.9 | G401 Y402 | P399-G401 VanDerWaalsContact C-N 3.26Å; P399-G401 PolarHBondContact O-N 2.73Å; P399-Y402 HydrophobicContact CB-CD2 4.26Å; P399-Y402 HydrophobicContact CG-CD2 4.43Å; P399-Y402 PolarHBondContact O-N 3.42Å |
| 400 | P | 79.9 | Confident | 75.6 | Confident | 97 Ų | 97 | 104.2 Ų | 104.2 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -51.1 | -35.6 | -169.9 | -32.1 | 36.9 | 0 | 0 | 0 | 116.3 | Y402 | P400-Y402 VanDerWaalsContact C-N 3.26Å; P400-Y402 PolarHBondContact O-N 3.03Å |
| 401 | G | 80.3 | Confident | 75.6 | Confident | 76 Ų | 76 | 102.8 Ų | 102.8 | 78% | 0.784 | 53% | 0.526 | S | S | * | . | G | 310 helix | trans | -77 | 0.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116 | P399 | P399-G401 VanDerWaalsContact C-N 3.26Å; P399-G401 PolarHBondContact O-N 2.73Å |
| 402 | Y | 71.1 | Confident | 75 | Confident | 189 Ų | 189 | 102.1 Ų | 102.1 | 74% | 0.741 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -121.7 | 5.1 | 177.8 | -69.3 | -86.3 | 0 | 0 | 0 | 112.9 | L398 P399 P400 | L398-Y402 WeakPolarHBondContact CD1-O 3.42Å; P399-Y402 HydrophobicContact CB-CD2 4.26Å; P399-Y402 HydrophobicContact CG-CD2 4.43Å; P399-Y402 PolarHBondContact O-N 3.42Å; P400-Y402 VanDerWaalsContact C-N 3.26Å; P400-Y402 PolarHBondContact O-N 3.03Å |
| 403 | R | 83.4 | Confident | 74.6 | Confident | 104 Ų | 104 | 105.6 Ų | 105.6 | 39% | 0.392 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -76 | 142.5 | 176 | -59 | -170.9 | 176.4 | 169.9 | -4.7 | 110.2 | E395 D396 L398 N405 | E395-R403 WeakPolarHBondContact O-CG 3.26Å; D396-R403 PolarHBondContact O-NH2 3.28Å; L398-R403 HydrophobicContact CB-CG 4.26Å; L398-R403 PolarHBondContact O-NE 2.95Å; R403-N405 PolarHBondContact O-N 3.19Å |
| 404 | F | 74.1 | Confident | 73.9 | Confident | 131 Ų | 131 | 103.8 Ų | 103.8 | 58% | 0.575 | 54% | 0.539 | S | S | * | . | | | trans | -72.5 | 100.1 | -179 | -177.2 | -99.1 | 0 | 0 | 0 | 112.6 | E395 E406 L409 | E395-F404 WeakPolarHBondContact OE2-CB 3.34Å; E395-F404 PolarHBondContact OE2-N 3.34Å; F404-E406 HydrophobicContact CD1-CB 4.35Å; F404-E406 HydrophobicContact CE1-CB 3.92Å; F404-E406 HydrophobicContact CE1-CG 3.88Å; F404-E406 PolarHBondContact O-N 3.35Å; F404-L409 HydrophobicContact CD2-CD1 4.46Å; F404-L409 HydrophobicContact CE2-CD1 3.42Å; F404-L409 VanDerWaalsContact CE2-CD1 3.42Å; F404-L409 HydrophobicContact CZ-CD1 3.54Å |
| 405 | N | 74.8 | Confident | 72.9 | Confident | 72 Ų | 72 | 103.7 Ų | 103.7 | 39% | 0.385 | 55% | 0.554 | S | S | . | * | | | trans | -84.6 | 87.4 | 179.5 | -66.1 | -23.7 | 0 | 0 | 0 | 111.9 | R403 E407 E408 L409 | R403-N405 PolarHBondContact O-N 3.19Å; N405-E407 PolarHBondContact O-N 3.14Å; N405-E408 HydrophobicContact CB-CB 3.94Å; N405-E408 HydrophobicContact CB-CG 3.83Å; N405-E408 WeakPolarHBondContact CB-OE2 3.32Å; N405-E408 PolarHBondContact ND2-OE2 2.94Å; N405-E408 PolarHBondContact O-N 3.2Å; N405-L409 PolarHBondContact O-N 3.25Å |
| 406 | E | 71.7 | Confident | 72.4 | Confident | 96 Ų | 96 | 107.6 Ų | 107.6 | 45% | 0.449 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.6 | -31.8 | -179.8 | -152.1 | -164.4 | 158.2 | 0 | 0 | 112.3 | F404 E408 L409 K410 | F404-E406 HydrophobicContact CD1-CB 4.35Å; F404-E406 HydrophobicContact CE1-CB 3.92Å; F404-E406 HydrophobicContact CE1-CG 3.88Å; F404-E406 PolarHBondContact O-N 3.35Å; E406-E408 VanDerWaalsContact C-N 3.26Å; E406-E408 PolarHBondContact O-N 2.96Å; E406-L409 PolarHBondContact O-N 2.98Å; E406-K410 VanDerWaalsContact CD-CE 3.42Å; E406-K410 HydrophobicContact CG-CD 4.44Å; E406-K410 WeakPolarHBondContact O-CB 3.36Å; E406-K410 WeakPolarHBondContact O-CD 3.43Å; E406-K410 VanDerWaalsContact O-CG 3.24Å; E406-K410 WeakPolarHBondContact O-CG 3.34Å; E406-K410 PolarHBondContact O-N 2.87Å; E406-K410 WeakPolarHBondContact OE1-CE 3.44Å; E406-K410 IonicContact OE1-NZ 3.87Å; E406-K410 PolarHBondContact OE1-NZ 3.19Å; E406-K410 IonicContact OE2-NZ 2.91Å; E406-K410 PolarHBondContact OE2-NZ 3.44Å |
| 407 | E | 67.9 | Low | 71.8 | Confident | 115 Ų | 115 | 110.1 Ų | 110.1 | 54% | 0.537 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67 | -21 | 173.3 | -69.1 | 67.7 | -148.1 | 0 | 0 | 113.7 | N405 K411 | N405-E407 PolarHBondContact O-N 3.14Å; E407-K411 WeakPolarHBondContact O-CD 3.29Å; E407-K411 WeakPolarHBondContact O-CE 3.47Å; E407-K411 WeakPolarHBondContact O-CG 3.46Å; E407-K411 PolarHBondContact O-NZ 3.4Å |
| 408 | E | 69.1 | Low | 70.8 | Confident | 107 Ų | 107 | 115.9 Ų | 115.9 | 50% | 0.5 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -86.3 | -41.5 | 176.2 | -66.3 | -174.1 | 147.8 | 0 | 0 | 110.7 | N405 E406 K410 K411 L412 | N405-E408 HydrophobicContact CB-CB 3.94Å; N405-E408 HydrophobicContact CB-CG 3.83Å; N405-E408 WeakPolarHBondContact CB-OE2 3.32Å; N405-E408 PolarHBondContact ND2-OE2 2.94Å; N405-E408 PolarHBondContact O-N 3.2Å; E406-E408 VanDerWaalsContact C-N 3.26Å; E406-E408 PolarHBondContact O-N 2.96Å; E408-K410 PolarHBondContact O-N 3.25Å; E408-K411 PolarHBondContact O-N 3.08Å; E408-L412 PolarHBondContact O-N 2.89Å; E408-L412 VanDerWaalsContact O-N 3.11Å |
| 409 | L | 65.8 | Low | 70.1 | Confident | 99 Ų | 99 | 118.6 Ų | 118.6 | 52% | 0.518 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -57.8 | -35 | 169.6 | -105.9 | 161.9 | 0 | 0 | 0 | 112.7 | F404 N405 E406 K411 | F404-L409 HydrophobicContact CD2-CD1 4.46Å; F404-L409 HydrophobicContact CE2-CD1 3.42Å; F404-L409 VanDerWaalsContact CE2-CD1 3.42Å; F404-L409 HydrophobicContact CZ-CD1 3.54Å; N405-L409 PolarHBondContact O-N 3.25Å; E406-L409 PolarHBondContact O-N 2.98Å; L409-K411 VanDerWaalsContact C-N 3.34Å |
| 410 | K | 70.3 | Confident | 69 | Low | 129 Ų | 129 | 124.2 Ų | 124.2 | 56% | 0.561 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -14 | 173.4 | -70.6 | 163.7 | -175.2 | 160.3 | 0 | 114.7 | E406 E408 | E406-K410 VanDerWaalsContact CD-CE 3.42Å; E406-K410 HydrophobicContact CG-CD 4.44Å; E406-K410 WeakPolarHBondContact O-CB 3.36Å; E406-K410 WeakPolarHBondContact O-CD 3.43Å; E406-K410 VanDerWaalsContact O-CG 3.24Å; E406-K410 WeakPolarHBondContact O-CG 3.34Å; E406-K410 PolarHBondContact O-N 2.87Å; E406-K410 WeakPolarHBondContact OE1-CE 3.44Å; E406-K410 IonicContact OE1-NZ 3.87Å; E406-K410 PolarHBondContact OE1-NZ 3.19Å; E406-K410 IonicContact OE2-NZ 2.91Å; E406-K410 PolarHBondContact OE2-NZ 3.44Å; E408-K410 PolarHBondContact O-N 3.25Å |
| 411 | K | 71 | Confident | 68.1 | Low | 154 Ų | 154 | 124.7 Ų | 124.7 | 67% | 0.67 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -23.6 | 175.3 | -71.9 | 161.5 | -159.8 | 146.9 | 0 | 112.6 | E407 E408 L409 | E407-K411 WeakPolarHBondContact O-CD 3.29Å; E407-K411 WeakPolarHBondContact O-CE 3.47Å; E407-K411 WeakPolarHBondContact O-CG 3.46Å; E407-K411 PolarHBondContact O-NZ 3.4Å; E408-K411 PolarHBondContact O-N 3.08Å; L409-K411 VanDerWaalsContact C-N 3.34Å |
| 412 | L | 63.3 | Low | 67.4 | Low | 115 Ų | 115 | 127.8 Ų | 127.8 | 60% | 0.602 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -65.8 | 135.5 | 169.9 | -65.9 | 176.6 | 0 | 0 | 0 | 109.3 | E408 A414 | E408-L412 PolarHBondContact O-N 2.89Å; E408-L412 VanDerWaalsContact O-N 3.11Å; L412-A414 PolarHBondContact O-N 3.12Å |
| 413 | P | 66.8 | Low | 67.5 | Low | 116 Ų | 116 | 124.2 Ų | 124.2 | 75% | 0.753 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 133.5 | 171.4 | 27.5 | -33.4 | 0 | 0 | 0 | 108.4 | | |
| 414 | A | 62.1 | Low | 66.8 | Low | 91 Ų | 91 | 122.7 Ų | 122.7 | 75% | 0.752 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 128.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L412 K416 | L412-A414 PolarHBondContact O-N 3.12Å; A414-K416 PolarHBondContact O-N 3.14Å |
| 415 | P | 61.9 | Low | 67 | Low | 119 Ų | 119 | 120.4 Ų | 120.4 | 77% | 0.773 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 139.8 | 179.8 | 23.3 | -32.9 | 0 | 0 | 0 | 109 | | |
| 416 | K | 63.4 | Low | 67.3 | Low | 186 Ų | 186 | 118.6 Ų | 118.6 | 81% | 0.809 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 137 | 174.9 | -69.8 | -171.8 | -177.9 | 67.7 | 0 | 107.6 | A414 E418 | A414-K416 PolarHBondContact O-N 3.14Å; K416-E418 PolarHBondContact O-N 2.99Å; K416-E418 VanDerWaalsContact O-N 3.08Å |
| 417 | P | 62.6 | Low | 67.6 | Low | 126 Ų | 126 | 118.9 Ų | 118.9 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 122.3 | 179.3 | 23.8 | -33.6 | 0 | 0 | 0 | 108.7 | | |
| 418 | E | 65.3 | Low | 68.2 | Low | 171 Ų | 171 | 119 Ų | 119 | 80% | 0.799 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 146.6 | 179.3 | -65.5 | 178.3 | 158.3 | 0 | 0 | 109.8 | K416 K420 | K416-E418 PolarHBondContact O-N 2.99Å; K416-E418 VanDerWaalsContact O-N 3.08Å; E418-K420 PolarHBondContact O-N 2.81Å |
| 419 | P | 65.2 | Low | 68.5 | Low | 118 Ų | 118 | 120.6 Ų | 120.6 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | | | trans | -60.5 | 113.6 | 172 | 27 | -33 | 0 | 0 | 0 | 108.1 | M421 | P419-M421 VanDerWaalsContact C-N 3.32Å; P419-M421 PolarHBondContact O-N 3.32Å |
| 420 | K | 58.8 | Low | 68.9 | Low | 197 Ų | 197 | 121.4 Ų | 121.4 | 86% | 0.857 | 65% | 0.651 | S | S | * | * | | | trans | -66.4 | 95.9 | 170.3 | -64.8 | 179.1 | -177.6 | 178.9 | 0 | 107.3 | E418 E422 | E418-K420 PolarHBondContact O-N 2.81Å; K420-E422 PolarHBondContact O-N 3.13Å |
| 421 | M | 60.8 | Low | 69.1 | Low | 107 Ų | 107 | 118.1 Ų | 118.1 | 53% | 0.527 | 64% | 0.644 | S | S | . | * | | | trans | -61.8 | 112.5 | 167.9 | -62.4 | -151.5 | -54.2 | 0 | 0 | 107.4 | P419 D425 A426 F429 | P419-M421 VanDerWaalsContact C-N 3.32Å; P419-M421 PolarHBondContact O-N 3.32Å; M421-D425 HydrophobicContact CB-CB 4.25Å; M421-A426 HydrophobicContact CE-CB 4.43Å; M421-F429 HydrophobicContact CE-CD2 4.44Å; M421-F429 HydrophobicContact SD-CD2 3.92Å; M421-F429 HydrophobicContact SD-CE2 3.63Å |
| 422 | E | 67.1 | Low | 68.7 | Low | 142 Ų | 142 | 112.4 Ų | 112.4 | 66% | 0.664 | 63% | 0.629 | S | S | * | * | | | trans | -66.1 | 155.9 | 168.6 | -63.7 | -165.4 | 145.8 | 0 | 0 | 108.5 | K420 S424 D425 A426 | K420-E422 PolarHBondContact O-N 3.13Å; E422-S424 PolarHBondContact O-N 3.46Å; E422-D425 PolarHBondContact O-N 2.99Å; E422-A426 PolarHBondContact O-N 3.23Å |
| 423 | T | 71.3 | Confident | 68.8 | Low | 113 Ų | 113 | 113.5 Ų | 113.5 | 69% | 0.693 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.9 | -21.9 | -171.9 | -40.4 | 0 | 0 | 0 | 0 | 112.6 | L427 | T423-L427 HydrophobicContact CG2-CD1 4.43Å; T423-L427 WeakPolarHBondContact O-CB 3.35Å; T423-L427 WeakPolarHBondContact O-CD1 3.22Å; T423-L427 WeakPolarHBondContact O-CG 3.44Å; T423-L427 PolarHBondContact O-N 2.87Å; T423-L427 VanDerWaalsContact O-N 3.14Å |
| 424 | S | 70.2 | Confident | 68.3 | Low | 73 Ų | 73 | 115 Ų | 115 | 51% | 0.51 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.1 | -45.6 | 170.5 | 45 | 0 | 0 | 0 | 0 | 114 | E422 L427 D428 | E422-S424 PolarHBondContact O-N 3.46Å; S424-L427 PolarHBondContact O-N 3.42Å; S424-D428 PolarHBondContact O-N 3.02Å |
| 425 | D | 78.7 | Confident | 68.2 | Low | 83 Ų | 83 | 116.3 Ų | 116.3 | 44% | 0.444 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -63.5 | -45.9 | 178.1 | -81.6 | -1.3 | 0 | 0 | 0 | 110 | M421 E422 L427 D428 F429 | M421-D425 HydrophobicContact CB-CB 4.25Å; E422-D425 PolarHBondContact O-N 2.99Å; D425-L427 PolarHBondContact O-N 2.77Å; D425-D428 PolarHBondContact O-N 3.48Å; D425-D428 VanDerWaalsContact O-N 3.08Å; D425-F429 HydrophobicContact CB-CE2 4.31Å; D425-F429 WeakPolarHBondContact O-CD2 3.4Å; D425-F429 PolarHBondContact O-N 3.41Å |
| 426 | A | 79.4 | Confident | 67.6 | Low | 34 Ų | 34 | 115.4 Ų | 115.4 | 28% | 0.281 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -59.2 | -33.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M421 E422 L430 | M421-A426 HydrophobicContact CE-CB 4.43Å; E422-A426 PolarHBondContact O-N 3.23Å; A426-L430 WeakPolarHBondContact O-CD1 3.41Å; A426-L430 VanDerWaalsContact O-CG 3.25Å; A426-L430 WeakPolarHBondContact O-CG 3.25Å; A426-L430 PolarHBondContact O-N 3.38Å |
| 427 | L | 79.1 | Confident | 66.7 | Low | 102 Ų | 102 | 111.7 Ų | 111.7 | 53% | 0.534 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78.7 | -30.4 | 174.8 | -73.4 | 169.5 | 0 | 0 | 0 | 113.1 | T423 S424 D425 L430 S431 | T423-L427 HydrophobicContact CG2-CD1 4.43Å; T423-L427 WeakPolarHBondContact O-CB 3.35Å; T423-L427 WeakPolarHBondContact O-CD1 3.22Å; T423-L427 WeakPolarHBondContact O-CG 3.44Å; T423-L427 PolarHBondContact O-N 2.87Å; T423-L427 VanDerWaalsContact O-N 3.14Å; S424-L427 PolarHBondContact O-N 3.42Å; D425-L427 PolarHBondContact O-N 2.77Å; L427-L430 PolarHBondContact O-N 3.44Å; L427-S431 VanDerWaalsContact O-CB 3.26Å; L427-S431 WeakPolarHBondContact O-CB 3.41Å; L427-S431 PolarHBondContact O-N 3.44Å; L427-S431 PolarHBondContact O-OG 3.24Å |
| 428 | D | 79.6 | Confident | 66.2 | Low | 117 Ų | 117 | 111 Ų | 111 | 63% | 0.626 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69 | -45.7 | 174.8 | -165.1 | 59.6 | 0 | 0 | 0 | 111.1 | S424 D425 L430 S431 G432 | S424-D428 PolarHBondContact O-N 3.02Å; D425-D428 PolarHBondContact O-N 3.48Å; D425-D428 VanDerWaalsContact O-N 3.08Å; D428-L430 VanDerWaalsContact C-N 3.27Å; D428-L430 PolarHBondContact O-N 2.95Å; D428-S431 PolarHBondContact O-N 3.19Å; D428-G432 PolarHBondContact O-N 2.97Å |
| 429 | F | 76.8 | Confident | 64.7 | Low | 141 Ų | 141 | 108.7 Ų | 108.7 | 62% | 0.618 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -57.3 | -38.4 | 172.4 | -72.8 | -62.1 | 0 | 0 | 0 | 112.7 | M421 D425 | M421-F429 HydrophobicContact CE-CD2 4.44Å; M421-F429 HydrophobicContact SD-CD2 3.92Å; M421-F429 HydrophobicContact SD-CE2 3.63Å; D425-F429 HydrophobicContact CB-CE2 4.31Å; D425-F429 WeakPolarHBondContact O-CD2 3.4Å; D425-F429 PolarHBondContact O-N 3.41Å |
| 430 | L | 72.4 | Confident | 63.6 | Low | 116 Ų | 116 | 107.7 Ų | 107.7 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -76.9 | -21 | 174.9 | -70 | 171 | 0 | 0 | 0 | 113.6 | A426 L427 D428 L434 | A426-L430 WeakPolarHBondContact O-CD1 3.41Å; A426-L430 VanDerWaalsContact O-CG 3.25Å; A426-L430 WeakPolarHBondContact O-CG 3.25Å; A426-L430 PolarHBondContact O-N 3.38Å; L427-L430 PolarHBondContact O-N 3.44Å; D428-L430 VanDerWaalsContact C-N 3.27Å; D428-L430 PolarHBondContact O-N 2.95Å; L430-L434 WeakPolarHBondContact O-CD1 3.47Å; L430-L434 WeakPolarHBondContact O-CG 3.22Å |
| 431 | S | 74.4 | Confident | 62.4 | Low | 59 Ų | 59 | 102.9 Ų | 102.9 | 41% | 0.413 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -87.2 | -30.7 | 179 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | L427 D428 L434 | L427-S431 VanDerWaalsContact O-CB 3.26Å; L427-S431 WeakPolarHBondContact O-CB 3.41Å; L427-S431 PolarHBondContact O-N 3.44Å; L427-S431 PolarHBondContact O-OG 3.24Å; D428-S431 PolarHBondContact O-N 3.19Å; S431-L434 PolarHBondContact O-N 3.37Å |
| 432 | G | 63.2 | Low | 61 | Low | 35 Ų | 35 | 103.6 Ų | 103.6 | 36% | 0.361 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -55.6 | -52.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D428 L434 T435 | D428-G432 PolarHBondContact O-N 2.97Å; G432-L434 PolarHBondContact O-N 3.31Å; G432-T435 PolarHBondContact O-N 3.15Å; G432-T435 VanDerWaalsContact O-N 3.15Å; G432-T435 PolarHBondContact O-OG1 3.09Å; G432-T435 VanDerWaalsContact O-OG1 3.09Å |
| 433 | D | 65.6 | Low | 59.5 | Low | 138 Ų | 138 | 103.6 Ų | 103.6 | 74% | 0.738 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -67.9 | -14.9 | -179.3 | -105 | 7.4 | 0 | 0 | 0 | 114.4 | T436 | D433-T436 PolarHBondContact O-OG1 3.39Å |
| 434 | L | 56.3 | Low | 57.6 | Low | 147 Ų | 147 | 106.9 Ų | 106.9 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -85.5 | -11.8 | 175.4 | -70.5 | 173.7 | 0 | 0 | 0 | 113.6 | L430 S431 G432 | L430-L434 WeakPolarHBondContact O-CD1 3.47Å; L430-L434 WeakPolarHBondContact O-CG 3.22Å; S431-L434 PolarHBondContact O-N 3.37Å; G432-L434 PolarHBondContact O-N 3.31Å |
| 435 | T | 59.4 | Low | 55.7 | Low | 119 Ų | 119 | 107.5 Ų | 107.5 | 73% | 0.73 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -108.2 | -12.5 | -179.8 | 62.2 | 0 | 0 | 0 | 0 | 113.9 | G432 S437 | G432-T435 PolarHBondContact O-N 3.15Å; G432-T435 VanDerWaalsContact O-N 3.15Å; G432-T435 PolarHBondContact O-OG1 3.09Å; G432-T435 VanDerWaalsContact O-OG1 3.09Å; T435-S437 PolarHBondContact O-N 3.05Å; T435-S437 VanDerWaalsContact O-N 3.1Å |
| 436 | T | 51 | Low | 53.4 | Low | 99 Ų | 99 | 109.9 Ų | 109.9 | 61% | 0.607 | 68% | 0.683 | S | S | * | * | | | trans | -82.5 | 27.8 | -177 | 47.9 | 0 | 0 | 0 | 0 | 114.5 | D433 S438 | D433-T436 PolarHBondContact O-OG1 3.39Å; T436-S438 PolarHBondContact O-N 3.28Å |
| 437 | S | 43.1 | Very low | 51 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | | | trans | -69.2 | 92.9 | 177 | 179 | 0 | 0 | 0 | 0 | 112.6 | T435 | T435-S437 PolarHBondContact O-N 3.05Å; T435-S437 VanDerWaalsContact O-N 3.1Å |
| 438 | S | 51.9 | Low | 48.6 | Very low | 110 Ų | 110 | 115.8 Ų | 115.8 | 77% | 0.769 | 72% | 0.72 | S | S | * | * | | | trans | 51.5 | 66.7 | 151.8 | -177.2 | 0 | 0 | 0 | 0 | 117 | T436 | T436-S438 PolarHBondContact O-N 3.28Š|
| 439 | S | 33.8 | Very low | 46.6 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | | | trans | -96.8 | 107.4 | 157.5 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | A441 | S439-A441 PolarHBondContact O-N 3.04Š|
| 440 | A | 42.4 | Very low | 44.3 | Very low | 97 Ų | 97 | 118.2 Ų | 118.2 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | | | trans | -78.1 | 108 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 441 | A | 33.1 | Very low | 42.1 | Very low | 96 Ų | 96 | 118.4 Ų | 118.4 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -87.2 | 136.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S439 | S439-A441 PolarHBondContact O-N 3.04Š|
| 442 | P | 33.1 | Very low | 40 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 80% | 0.799 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 156.6 | -172.3 | 31.4 | -36.3 | 0 | 0 | 0 | 114.1 | Q444 | P442-Q444 PolarHBondContact O-N 2.96Š|
| 443 | V | 34 | Very low | 38.8 | Very low | 142 Ų | 142 | 123.6 Ų | 123.6 | 86% | 0.861 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 124.5 | 179.7 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | | |
| 444 | Q | 32.7 | Very low | 37.8 | Very low | 182 Ų | 182 | 122.6 Ų | 122.6 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | | | trans | -137.8 | 132.5 | 152.2 | -67.6 | -163.8 | 12.7 | 0 | 0 | 110.2 | P442 | P442-Q444 PolarHBondContact O-N 2.96Š|
| 445 | A | 29.6 | Very low | 36.4 | Very low | 86 Ų | 86 | 119.7 Ų | 119.7 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -85.4 | 136.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V447 | A445-V447 PolarHBondContact O-N 3.1Å; A445-V447 VanDerWaalsContact O-N 3.15Å |
| 446 | P | 30.5 | Very low | 34.8 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | | | trans | -67.1 | 110.8 | 173.9 | -21.4 | 34 | 0 | 0 | 0 | 112.2 | | |
| 447 | V | 29.9 | Very low | 33.7 | Very low | 133 Ų | 133 | 124.6 Ų | 124.6 | 81% | 0.806 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 142.6 | 169.6 | 173.1 | 0 | 0 | 0 | 0 | 110.4 | A445 K449 | A445-V447 PolarHBondContact O-N 3.1Å; A445-V447 VanDerWaalsContact O-N 3.15Å; V447-K449 PolarHBondContact O-N 3.43Å |
| 448 | V | 28 | Very low | 33 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 131.9 | 178 | 178.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 449 | K | 36.8 | Very low | 31.8 | Very low | 199 Ų | 199 | 128.8 Ų | 128.8 | 87% | 0.865 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 117.4 | 166.3 | -69.9 | -176.4 | -179.4 | 177.6 | 0 | 110.9 | V447 | V447-K449 PolarHBondContact O-N 3.43Š|
| 450 | P | 29.5 | Very low | 31.4 | Very low | 110 Ų | 110 | 133.3 Ų | 133.3 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 140.2 | 166.8 | 34.1 | -31.2 | 0 | 0 | 0 | 112.3 | | |
| 451 | S | 25.1 | Very low | 30.9 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | 47 | 136.1 | 133.4 | -171.5 | 0 | 0 | 0 | 0 | 121.9 | | |
| 452 | A | 30.8 | Very low | 30.7 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | | | cis | -159.4 | -117.3 | -15.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 453 | P | 37.7 | Very low | 30.4 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | | | trans | -124.9 | -154.1 | -136.5 | 42 | -19.2 | 0 | 0 | 0 | 112.2 | | |
| 454 | P | 44.2 | Very low | 30.3 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | | | cis | -141.6 | -156.2 | -1.5 | 45 | -24.5 | 0 | 0 | 0 | 115.8 | | |
| 455 | A | 27.2 | Very low | 30 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 70% | 0.702 | 79% | 0.789 | S | S | * | * | | | trans | 79.6 | 113.8 | 170 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 456 | Q | 26.1 | Very low | 29.8 | Very low | 186 Ų | 186 | 137 Ų | 137 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | | 74.7 | 114 | 53.3 | -66.8 | -170.5 | 22.9 | 0 | 0 | 115.1 | | |
| 457 | V | 27.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | | 171.9 | 138.2 | 115.8 | 153 | 0 | 0 | 0 | 0 | 110.3 | | |
| 458 | N | 28.1 | Very low | 29.6 | Very low | 136 Ų | 136 | 136.6 Ų | 136.6 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | | | trans | -82.6 | 145.5 | 172.9 | -64.4 | -29.1 | 0 | 0 | 0 | 111.6 | | |
| 459 | H | 27.5 | Very low | 29.6 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 80% | 0.796 | 78% | 0.782 | S | S | * | * | | | | 169.5 | 152.9 | 112.5 | -94 | 92.1 | 0 | 0 | 0 | 116.1 | | |
| 460 | R | 25.7 | Very low | 29.2 | Very low | 217 Ų | 217 | 129.7 Ų | 129.7 | 82% | 0.819 | 77% | 0.77 | S | S | * | * | | | trans | 65.8 | 101.4 | 153.1 | -76.2 | -178.1 | 173.8 | 175.4 | -1.3 | 121 | | |
| 461 | H | 30.8 | Very low | 29.2 | Very low | 166 Ų | 166 | 132.2 Ų | 132.2 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | | 42.9 | 131.8 | 107.5 | -66.6 | -65.3 | 0 | 0 | 0 | 121.5 | | |
| 462 | T | 28.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | 65 | 130 | 144.5 | 56.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 463 | C | 27.4 | Very low | 29.5 | Very low | 125 Ų | 125 | 140.3 Ų | 140.3 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | cis | -146.2 | 172.2 | 30 | -82.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 464 | S | 32.5 | Very low | 29.1 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | | | trans | -71 | 149 | 161.1 | 51.2 | 0 | 0 | 0 | 0 | 113.8 | | |
| 465 | V | 26.9 | Very low | 28.5 | Very low | 145 Ų | 145 | 142.8 Ų | 142.8 | 88% | 0.879 | 78% | 0.782 | S | S | * | * | | | trans | -152.5 | 155.9 | 149.1 | 155.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 466 | D | 23.8 | Very low | 28.7 | Very low | 131 Ų | 131 | 146.5 Ų | 146.5 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | -57.3 | 165.9 | -172.6 | -70.2 | -51.4 | 0 | 0 | 0 | 121.4 | | |
| 467 | L | 28.5 | Very low | 28.7 | Very low | 149 Ų | 149 | 142 Ų | 142 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | | | trans | 17.5 | 133.8 | 142.1 | -65.6 | 80.4 | 0 | 0 | 0 | 118 | | |
| 468 | S | 27.8 | Very low | 29 | Very low | 107 Ų | 107 | 143 Ų | 143 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | | 162.6 | 157.9 | 77.2 | 42 | 0 | 0 | 0 | 0 | 111.4 | | |
| 469 | A | 29.4 | Very low | 29 | Very low | 92 Ų | 92 | 143 Ų | 143 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | | | trans | 60.1 | 166.5 | 153.3 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 470 | S | 28.1 | Very low | 29.3 | Very low | 90 Ų | 90 | 142.2 Ų | 142.2 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | | | cis | -163.9 | 160.9 | -34.1 | -92.9 | 0 | 0 | 0 | 0 | 108.4 | | |
| 471 | E | 28.8 | Very low | 29.6 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 76% | 0.762 | 76% | 0.763 | S | S | * | * | | | trans | 49.8 | 116.4 | 154 | -64.8 | 161.3 | 92.3 | 0 | 0 | 120.1 | | |
| 472 | R | 30.6 | Very low | 29.7 | Very low | 233 Ų | 233 | 132.5 Ų | 132.5 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | | | | -170.1 | 128.3 | 103.6 | -108.4 | 156.4 | -72.4 | 154.7 | -3.1 | 114.8 | | |
| 473 | D | 31 | Very low | 29.8 | Very low | 142 Ų | 142 | 134 Ų | 134 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | | | trans | -66 | 149.2 | 151.9 | -66.4 | -79.4 | 0 | 0 | 0 | 111.3 | | |
| 474 | K | 31.1 | Very low | 30 | Very low | 188 Ų | 188 | 135 Ų | 135 | 82% | 0.817 | 75% | 0.754 | S | S | * | * | | | | 164.2 | 151.2 | 104.1 | -87.3 | -175.6 | -164.9 | -53.7 | 0 | 113.1 | | |
| 475 | A | 31.5 | Very low | 30.1 | Very low | 98 Ų | 98 | 135.5 Ų | 135.5 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | 73 | 150 | 149.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 476 | K | 30.6 | Very low | 30.4 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | | | cis | -174.5 | 152 | -18.9 | 177.5 | -169.9 | 163.2 | -84.9 | 0 | 107.9 | | |
| 477 | V | 27 | Very low | 30.8 | Very low | 93 Ų | 93 | 138.1 Ų | 138.1 | 56% | 0.564 | 76% | 0.76 | S | S | * | * | | | trans | 59.3 | 163.5 | 167.5 | -80.8 | 0 | 0 | 0 | 0 | 117.2 | | |
| 478 | E | 33.8 | Very low | 30.6 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 76% | 0.762 | S | S | * | * | | | cis | -131.8 | 128.1 | -6.3 | -118.3 | 100.4 | -146.2 | 0 | 0 | 105 | | |
| 479 | N | 28.3 | Very low | 30.7 | Very low | 137 Ų | 137 | 139.5 Ų | 139.5 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | | 49.4 | 100.7 | 71.5 | -162.7 | 11.1 | 0 | 0 | 0 | 116.4 | | |
| 480 | L | 33.3 | Very low | 30.9 | Very low | 155 Ų | 155 | 139.3 Ų | 139.3 | 81% | 0.812 | 75% | 0.753 | S | S | * | * | | | | 177.9 | 152.4 | 122 | -97.3 | 171.2 | 0 | 0 | 0 | 113.9 | | |
| 481 | A | 32.6 | Very low | 31.3 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 67.7 | 145.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 482 | A | 31.5 | Very low | 31.5 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | | | cis | -167.3 | 136.1 | -18.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 483 | L | 32.1 | Very low | 31.4 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | 63 | 159.7 | 155.2 | -57.3 | 172.7 | 0 | 0 | 0 | 117.1 | | |
| 484 | E | 31.3 | Very low | 31.2 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | | | cis | -145.9 | 153.3 | 5.9 | -153.6 | 158.5 | -132.2 | 0 | 0 | 112 | L486 | E484-L486 HydrophobicContact CG-CD1 4.24Š|
| 485 | S | 33.8 | Very low | 31 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | -163.7 | 125.6 | 166.8 | -77 | 0 | 0 | 0 | 0 | 110.1 | E487 | S485-E487 PolarHBondContact O-N 3.42Š|
| 486 | L | 33.8 | Very low | 30.8 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | trans | -87.6 | 109.4 | -175.7 | -91.3 | 74.8 | 0 | 0 | 0 | 113.4 | E484 | E484-L486 HydrophobicContact CG-CD1 4.24Š|
| 487 | E | 31.7 | Very low | 30.7 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | -18.9 | 140.4 | 149.6 | 169.5 | 173.1 | -142.1 | 0 | 0 | 118.7 | S485 | S485-E487 PolarHBondContact O-N 3.42Š|
| 488 | F | 25.4 | Very low | 30.7 | Very low | 190 Ų | 190 | 133.3 Ų | 133.3 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | | | trans | -150.5 | 104.1 | 130.4 | -157.6 | -106.8 | 0 | 0 | 0 | 114.8 | | |
| 489 | V | 29.5 | Very low | 30.3 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 58% | 0.576 | 78% | 0.778 | S | S | * | * | | | trans | 64.4 | 131.6 | 145.3 | 175.5 | 0 | 0 | 0 | 0 | 121.5 | | |
| 490 | A | 32.9 | Very low | 30.6 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | | | trans | -131.6 | 173.3 | 154.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 491 | P | 37.1 | Very low | 30.5 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | -141.9 | 137 | 137.3 | 34.6 | -19.9 | 0 | 0 | 0 | 116.2 | | |
| 492 | S | 31.4 | Very low | 30.7 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | | | | 30.2 | 151 | 127.1 | -63.2 | 0 | 0 | 0 | 0 | 122.5 | | |
| 493 | K | 30.3 | Very low | 31.2 | Very low | 198 Ų | 198 | 131 Ų | 131 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | | | cis | -177.3 | 146.4 | -12.3 | -108.8 | -175.3 | -177.3 | -178 | 0 | 107.7 | | |
| 494 | A | 26.8 | Very low | 31.2 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 88% | 0.876 | 79% | 0.786 | S | S | * | * | | | trans | -176.7 | 157.9 | 146.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 495 | S | 27.1 | Very low | 31.4 | Very low | 132 Ų | 132 | 129 Ų | 129 | 92% | 0.923 | 79% | 0.79 | S | S | * | * | | | trans | -157.1 | 146.3 | 174.9 | -176.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 496 | G | 26.8 | Very low | 32 | Very low | 66 Ų | 66 | 133.5 Ų | 133.5 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | | | trans | 104.1 | 138 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 497 | V | 27.9 | Very low | 32.3 | Very low | 142 Ų | 142 | 135 Ų | 135 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | | | cis | -150.3 | 136.4 | 2 | 165.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 498 | H | 27.5 | Very low | 33 | Very low | 178 Ų | 178 | 131 Ų | 131 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | | | trans | 73.4 | 114.1 | 157.2 | -159.5 | -95 | 0 | 0 | 0 | 121.9 | | |
| 499 | A | 25.8 | Very low | 34.2 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 69.6 | 146.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 500 | P | 33.2 | Very low | 35.4 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | cis | -110.9 | 153 | -45.6 | 37.2 | -27.5 | 0 | 0 | 0 | 111.3 | | |
| 501 | V | 31.7 | Very low | 37 | Very low | 143 Ų | 143 | 131 Ų | 131 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | | | trans | -104.5 | 132.8 | -168.5 | 176.3 | 0 | 0 | 0 | 0 | 112.3 | | |
| 502 | P | 36.9 | Very low | 38.2 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | trans | -76.2 | 155.1 | 174.7 | 32.1 | -36.2 | 0 | 0 | 0 | 112.8 | | |
| 503 | P | 42.6 | Very low | 39.9 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | trans | -77.1 | 135 | -177.2 | 31.1 | -34.6 | 0 | 0 | 0 | 112.7 | | |
| 504 | T | 32.3 | Very low | 41.6 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | | | trans | -130.4 | 118.5 | 156.6 | 50.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 505 | T | 34.1 | Very low | 43.6 | Very low | 125 Ų | 125 | 120.7 Ų | 120.7 | 77% | 0.767 | 72% | 0.722 | S | S | * | * | | | trans | -122.4 | 141.5 | 163.5 | 46 | 0 | 0 | 0 | 0 | 107.8 | K507 | T505-K507 PolarHBondContact O-N 2.66Š|
| 506 | K | 46.4 | Very low | 45.4 | Very low | 214 Ų | 214 | 119.5 Ų | 119.5 | 93% | 0.93 | 71% | 0.705 | S | S | * | * | | | trans | -69.8 | 121.6 | 172.8 | -64.7 | 179.9 | 179.8 | -179.3 | 0 | 108 | | |
| 507 | K | 40.8 | Very low | 47.3 | Very low | 190 Ų | 190 | 119.9 Ų | 119.9 | 83% | 0.826 | 70% | 0.697 | S | S | * | * | | | trans | -119.4 | 154 | 162.4 | -85.9 | -161.6 | 169.8 | -167.1 | 0 | 110.6 | T505 | T505-K507 PolarHBondContact O-N 2.66Š|
| 508 | T | 46.6 | Very low | 49 | Very low | 88 Ų | 88 | 120.2 Ų | 120.2 | 54% | 0.54 | 69% | 0.694 | S | S | . | * | | | trans | -71.7 | 161.4 | -179.9 | 38.8 | 0 | 0 | 0 | 0 | 111.9 | E510 | T508-E510 WeakPolarHBondContact CB-OE1 3.36Å; T508-E510 PolarHBondContact O-N 3.11Å; T508-E510 PolarHBondContact OG1-OE1 3.25Å |
| 509 | P | 50.3 | Low | 50.8 | Low | 109 Ų | 109 | 116.5 Ų | 116.5 | 71% | 0.708 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 12.3 | -170.7 | 29.6 | -37.5 | 0 | 0 | 0 | 116.1 | D511 A512 | P509-D511 VanDerWaalsContact C-N 3.35Å; P509-D511 PolarHBondContact O-N 3.49Å; P509-A512 PolarHBondContact O-N 2.86Å |
| 510 | E | 55.8 | Low | 52.5 | Low | 136 Ų | 136 | 118.7 Ų | 118.7 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -66.6 | -34.9 | -178.5 | -68.5 | 155.2 | -116.4 | 0 | 0 | 112.6 | T508 A512 L513 S514 | T508-E510 WeakPolarHBondContact CB-OE1 3.36Å; T508-E510 PolarHBondContact O-N 3.11Å; T508-E510 PolarHBondContact OG1-OE1 3.25Å; E510-A512 PolarHBondContact O-N 2.86Å; E510-L513 PolarHBondContact O-N 3.22Å; E510-L513 VanDerWaalsContact O-N 3.12Å; E510-S514 PolarHBondContact O-N 3.32Å; E510-S514 VanDerWaalsContact O-N 3.16Å |
| 511 | D | 65.1 | Low | 53.5 | Low | 130 Ų | 130 | 118.7 Ų | 118.7 | 70% | 0.695 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -61.6 | -32.1 | -180 | -157.1 | 35.9 | 0 | 0 | 0 | 112.3 | P509 L513 S514 A515 | P509-D511 VanDerWaalsContact C-N 3.35Å; P509-D511 PolarHBondContact O-N 3.49Å; D511-L513 PolarHBondContact O-N 3.22Å; D511-S514 PolarHBondContact O-N 3.03Å; D511-A515 WeakPolarHBondContact O-CB 3.34Å; D511-A515 PolarHBondContact O-N 2.97Å |
| 512 | A | 62.2 | Low | 54.9 | Low | 60 Ų | 60 | 120.7 Ų | 120.7 | 50% | 0.496 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -70.1 | -30.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P509 E510 L516 | P509-A512 PolarHBondContact O-N 2.86Å; E510-A512 PolarHBondContact O-N 2.86Å; A512-L516 WeakPolarHBondContact O-CG 3.48Å; A512-L516 PolarHBondContact O-N 2.63Å; A512-L516 VanDerWaalsContact O-N 3.16Å |
| 513 | L | 67.1 | Low | 55.4 | Low | 118 Ų | 118 | 123.3 Ų | 123.3 | 62% | 0.618 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -78.7 | -33.4 | 174.9 | -61.6 | 179.5 | 0 | 0 | 0 | 111.4 | E510 D511 L516 S517 | E510-L513 PolarHBondContact O-N 3.22Å; E510-L513 VanDerWaalsContact O-N 3.12Å; D511-L513 PolarHBondContact O-N 3.22Å; L513-L516 PolarHBondContact O-N 2.66Å; L513-S517 PolarHBondContact O-N 3.35Å; L513-S517 PolarHBondContact O-OG 2.83Å |
| 514 | S | 67 | Low | 56.2 | Low | 70 Ų | 70 | 125.8 Ų | 125.8 | 49% | 0.49 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -64 | -45.7 | 171.1 | -155.3 | 0 | 0 | 0 | 0 | 111 | E510 D511 L516 S517 D518 | E510-S514 PolarHBondContact O-N 3.32Å; E510-S514 VanDerWaalsContact O-N 3.16Å; D511-S514 PolarHBondContact O-N 3.03Å; S514-L516 VanDerWaalsContact C-N 3.31Å; S514-L516 PolarHBondContact O-N 3.42Å; S514-S517 WeakPolarHBondContact O-CB 3.26Å; S514-S517 PolarHBondContact O-N 3.32Å; S514-S517 VanDerWaalsContact O-N 3.09Å; S514-D518 PolarHBondContact O-N 3.18Å |
| 515 | A | 67.8 | Low | 57 | Low | 59 Ų | 59 | 125.4 Ų | 125.4 | 49% | 0.488 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -63.7 | -32.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D511 | D511-A515 WeakPolarHBondContact O-CB 3.34Å; D511-A515 PolarHBondContact O-N 2.97Å |
| 516 | L | 64.6 | Low | 57.4 | Low | 108 Ų | 108 | 128.6 Ų | 128.6 | 57% | 0.565 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -72.6 | -31.1 | 172.5 | -75.6 | 169.7 | 0 | 0 | 0 | 112.5 | A512 L513 S514 D518 T519 | A512-L516 WeakPolarHBondContact O-CG 3.48Å; A512-L516 PolarHBondContact O-N 2.63Å; A512-L516 VanDerWaalsContact O-N 3.16Å; L513-L516 PolarHBondContact O-N 2.66Å; S514-L516 VanDerWaalsContact C-N 3.31Å; S514-L516 PolarHBondContact O-N 3.42Å; L516-D518 PolarHBondContact O-N 3.39Å; L516-T519 PolarHBondContact O-N 3.41Å; L516-T519 VanDerWaalsContact O-N 3.08Å; L516-T519 PolarHBondContact O-OG1 3.07Å |
| 517 | S | 66.8 | Low | 57.6 | Low | 73 Ų | 73 | 124 Ų | 124 | 51% | 0.51 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -63.3 | -41.3 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | L513 S514 T519 L520 | L513-S517 PolarHBondContact O-N 3.35Å; L513-S517 PolarHBondContact O-OG 2.83Å; S514-S517 WeakPolarHBondContact O-CB 3.26Å; S514-S517 PolarHBondContact O-N 3.32Å; S514-S517 VanDerWaalsContact O-N 3.09Å; S517-T519 PolarHBondContact O-N 2.94Å; S517-L520 PolarHBondContact O-N 3.36Å |
| 518 | D | 65.3 | Low | 58 | Low | 149 Ų | 149 | 121.4 Ų | 121.4 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -8.5 | 173.7 | -83.1 | -0.7 | 0 | 0 | 0 | 114.1 | S514 L516 | S514-D518 PolarHBondContact O-N 3.18Å; L516-D518 PolarHBondContact O-N 3.39Å |
| 519 | T | 64.8 | Low | 58.5 | Low | 101 Ų | 101 | 122.1 Ų | 122.1 | 62% | 0.62 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.4 | -2.7 | 174.6 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | L516 S517 | L516-T519 PolarHBondContact O-N 3.41Å; L516-T519 VanDerWaalsContact O-N 3.08Å; L516-T519 PolarHBondContact O-OG1 3.07Å; S517-T519 PolarHBondContact O-N 2.94Å |
| 520 | L | 60.3 | Low | 58.4 | Low | 125 Ų | 125 | 123 Ų | 123 | 65% | 0.654 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -79.3 | 136.1 | 170.7 | -64.3 | 176.1 | 0 | 0 | 0 | 109.9 | S517 E522 | S517-L520 PolarHBondContact O-N 3.36Å; L520-E522 PolarHBondContact O-N 3.09Å |
| 521 | P | 56.1 | Low | 58.4 | Low | 125 Ų | 125 | 123.2 Ų | 123.2 | 81% | 0.812 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -61 | 128.4 | 178.8 | -23.5 | 33.8 | 0 | 0 | 0 | 112.2 | D523 | P521-D523 PolarHBondContact O-N 3.41Š|
| 522 | E | 60.3 | Low | 57.4 | Low | 185 Ų | 185 | 122.3 Ų | 122.3 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 123.1 | 174.3 | -62.3 | 176.9 | 120.8 | 0 | 0 | 110.7 | L520 K524 | L520-E522 PolarHBondContact O-N 3.09Å; E522-K524 PolarHBondContact O-N 3.48Å; E522-K524 VanDerWaalsContact O-N 3.1Å |
| 523 | D | 48 | Very low | 56.8 | Low | 161 Ų | 161 | 127.1 Ų | 127.1 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | | | trans | -69.1 | 109.4 | -178 | -172.3 | 26.7 | 0 | 0 | 0 | 110.7 | P521 | P521-D523 PolarHBondContact O-N 3.41Š|
| 524 | K | 58.8 | Low | 56.5 | Low | 176 Ų | 176 | 126.6 Ų | 126.6 | 77% | 0.765 | 70% | 0.697 | S | S | * | * | | | trans | -74.5 | 126.9 | -177.2 | -68.8 | -176.6 | 179.5 | 178.1 | 0 | 109.2 | E522 K526 | E522-K524 PolarHBondContact O-N 3.48Å; E522-K524 VanDerWaalsContact O-N 3.1Å; K524-K526 PolarHBondContact O-N 3.04Å |
| 525 | P | 48.3 | Very low | 55.9 | Low | 131 Ų | 131 | 129.7 Ų | 129.7 | 85% | 0.851 | 70% | 0.704 | S | S | * | * | | | trans | -59.8 | 108.2 | -172.4 | 23.6 | -34.3 | 0 | 0 | 0 | 111.1 | | |
| 526 | K | 44 | Very low | 55.1 | Low | 193 Ų | 193 | 133.3 Ų | 133.3 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 142.7 | 177.6 | -159.9 | 165.7 | -173.7 | 172.6 | 0 | 109.4 | K524 E528 | K524-K526 PolarHBondContact O-N 3.04Å; K526-E528 PolarHBondContact O-N 2.67Å |
| 527 | P | 50.7 | Low | 54.5 | Low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 138.1 | -172.8 | -28.8 | 36.4 | 0 | 0 | 0 | 114.1 | | |
| 528 | E | 47.8 | Very low | 53.6 | Low | 134 Ų | 134 | 136.9 Ų | 136.9 | 63% | 0.626 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 134.2 | 178.8 | -167.9 | -171.1 | -136.8 | 0 | 0 | 111.2 | K526 K531 | K526-E528 PolarHBondContact O-N 2.67Å; E528-K531 WeakPolarHBondContact OE1-CE 3.49Å; E528-K531 IonicContact OE1-NZ 3.51Å; E528-K531 PolarHBondContact OE1-NZ 2.84Å; E528-K531 IonicContact OE2-NZ 3.53Å; E528-K531 PolarHBondContact OE2-NZ 2.9Å |
| 529 | P | 57.8 | Low | 52.7 | Low | 103 Ų | 103 | 134.9 Ų | 134.9 | 67% | 0.669 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 149.6 | 173.1 | 28.2 | -34.4 | 0 | 0 | 0 | 110.8 | K531 | P529-K531 PolarHBondContact O-N 3.03Å; P529-K531 VanDerWaalsContact O-N 3.13Å |
| 530 | P | 48.3 | Very low | 52 | Low | 127 Ų | 127 | 136.2 Ų | 136.2 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 119.7 | -174.9 | 25 | -34.2 | 0 | 0 | 0 | 111.2 | | |
| 531 | K | 55 | Low | 51.2 | Low | 141 Ų | 141 | 133 Ų | 133 | 61% | 0.613 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 126.5 | 177.8 | -65.7 | -174.6 | 168.7 | 80.3 | 0 | 110.3 | E528 P529 | E528-K531 WeakPolarHBondContact OE1-CE 3.49Å; E528-K531 IonicContact OE1-NZ 3.51Å; E528-K531 PolarHBondContact OE1-NZ 2.84Å; E528-K531 IonicContact OE2-NZ 3.53Å; E528-K531 PolarHBondContact OE2-NZ 2.9Å; P529-K531 PolarHBondContact O-N 3.03Å; P529-K531 VanDerWaalsContact O-N 3.13Å |
| 532 | P | 44.9 | Very low | 51 | Low | 112 Ų | 112 | 137.2 Ų | 137.2 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 142.5 | 168.7 | 28.5 | -33.9 | 0 | 0 | 0 | 108.9 | | |
| 533 | R | 49.8 | Very low | 50.8 | Low | 161 Ų | 161 | 135.4 Ų | 135.4 | 61% | 0.608 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 154.8 | -179 | -63.3 | -175.1 | -173.8 | 173.1 | 1.3 | 110.6 | E535 D536 | R533-E535 HydrophobicContact CB-CB 4.19Å; R533-E535 HydrophobicContact CB-CG 4.47Å; R533-E535 WeakPolarHBondContact CB-OE1 3.47Å; R533-E535 VanDerWaalsContact CD-CD 3.46Å; R533-E535 WeakPolarHBondContact CD-OE1 3.22Å; R533-E535 WeakPolarHBondContact CD-OE2 3.26Å; R533-E535 IonicContact CZ-OE2 2.65Å; R533-E535 IonicContact NE-OE2 2.99Å; R533-E535 IonicContact NH1-OE2 2.85Å; R533-E535 PolarHBondContact NH1-OE2 2.95Å; R533-E535 PolarHBondContact O-N 3Å; R533-D536 PolarHBondContact O-N 3.28Å |
| 534 | P | 59.8 | Low | 51.1 | Low | 106 Ų | 106 | 135.4 Ų | 135.4 | 69% | 0.688 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -57.1 | -20 | 172 | -24.2 | 35 | 0 | 0 | 0 | 113.8 | D536 I537 | P534-D536 VanDerWaalsContact C-N 3.27Å; P534-D536 PolarHBondContact O-N 3.43Å; P534-I537 PolarHBondContact O-N 2.86Å |
| 535 | E | 55 | Low | 51 | Low | 136 Ų | 136 | 136.8 Ų | 136.8 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -54.3 | -32.8 | 174.7 | -72 | 127.3 | -109.2 | 0 | 0 | 114.4 | R533 | R533-E535 HydrophobicContact CB-CB 4.19Å; R533-E535 HydrophobicContact CB-CG 4.47Å; R533-E535 WeakPolarHBondContact CB-OE1 3.47Å; R533-E535 VanDerWaalsContact CD-CD 3.46Å; R533-E535 WeakPolarHBondContact CD-OE1 3.22Å; R533-E535 WeakPolarHBondContact CD-OE2 3.26Å; R533-E535 IonicContact CZ-OE2 2.65Å; R533-E535 IonicContact NE-OE2 2.99Å; R533-E535 IonicContact NH1-OE2 2.85Å; R533-E535 PolarHBondContact NH1-OE2 2.95Å; R533-E535 PolarHBondContact O-N 3Å |
| 536 | D | 50.2 | Low | 51.4 | Low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -85.4 | -7 | -178.8 | -73.8 | -46.7 | 0 | 0 | 0 | 113.9 | R533 P534 V538 | R533-D536 PolarHBondContact O-N 3.28Å; P534-D536 VanDerWaalsContact C-N 3.27Å; P534-D536 PolarHBondContact O-N 3.43Å; D536-V538 PolarHBondContact O-N 3.26Å |
| 537 | I | 52.6 | Low | 52.1 | Low | 123 Ų | 123 | 138.9 Ų | 138.9 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -85.2 | 99.7 | 175.5 | -57 | 179.2 | 0 | 0 | 0 | 108.7 | P534 S539 | P534-I537 PolarHBondContact O-N 2.86Å; I537-S539 PolarHBondContact O-N 3.39Å; I537-S539 PolarHBondContact O-OG 3.09Å |
| 538 | V | 47.2 | Very low | 52.6 | Low | 134 Ų | 134 | 135.2 Ų | 135.2 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | | | trans | -57.8 | 98.1 | 173.2 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | D536 V540 | D536-V538 PolarHBondContact O-N 3.26Å; V538-V540 PolarHBondContact O-N 2.91Å |
| 539 | S | 47.9 | Very low | 53.6 | Low | 106 Ų | 106 | 134.9 Ų | 134.9 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | | | trans | -70.6 | 98.7 | -176.3 | -69.1 | 0 | 0 | 0 | 0 | 109.7 | I537 G541 | I537-S539 PolarHBondContact O-N 3.39Å; I537-S539 PolarHBondContact O-OG 3.09Å; S539-G541 PolarHBondContact O-N 3.36Å; S539-G541 VanDerWaalsContact O-N 3.11Å |
| 540 | V | 49.3 | Very low | 53.7 | Low | 129 Ų | 129 | 136.6 Ų | 136.6 | 78% | 0.782 | 72% | 0.723 | S | S | * | * | | | trans | -51.9 | 119.9 | 172.4 | 178.4 | 0 | 0 | 0 | 0 | 108.3 | V538 | V538-V540 PolarHBondContact O-N 2.91Š|
| 541 | G | 43 | Very low | 54.7 | Low | 58 Ų | 58 | 137 Ų | 137 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | | | trans | -57.5 | 147.2 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113 | S539 I543 | S539-G541 PolarHBondContact O-N 3.36Å; S539-G541 VanDerWaalsContact O-N 3.11Å; G541-I543 PolarHBondContact O-N 2.8Å |
| 542 | K | 52.5 | Low | 55.4 | Low | 213 Ų | 213 | 132.2 Ų | 132.2 | 93% | 0.926 | 71% | 0.713 | S | S | * | * | | | trans | -53.3 | 101.4 | 179.3 | -63.2 | 179 | -177.6 | 179.2 | 0 | 110.3 | K544 | K542-K544 PolarHBondContact O-N 2.85Š|
| 543 | I | 55.4 | Low | 57 | Low | 147 Ų | 147 | 133.5 Ų | 133.5 | 75% | 0.754 | 71% | 0.71 | S | S | * | * | | | trans | -65.5 | 110.2 | 178.9 | -54.6 | 176.6 | 0 | 0 | 0 | 107.6 | G541 K545 | G541-I543 PolarHBondContact O-N 2.8Å; I543-K545 PolarHBondContact O-N 3.11Å |
| 544 | K | 55 | Low | 58.4 | Low | 161 Ų | 161 | 132.5 Ų | 132.5 | 70% | 0.7 | 71% | 0.706 | S | S | * | * | | | trans | -64.4 | 115.5 | 167.5 | -65.1 | -176.7 | -177.1 | -179.3 | 0 | 107 | K542 E546 | K542-K544 PolarHBondContact O-N 2.85Å; K544-E546 PolarHBondContact O-N 3.06Å |
| 545 | K | 56 | Low | 59 | Low | 205 Ų | 205 | 131.9 Ų | 131.9 | 89% | 0.891 | 70% | 0.697 | S | S | * | * | | | trans | -73.5 | 104.5 | 164.5 | -70.3 | -174.1 | 178.2 | -175.8 | 0 | 106.9 | I543 | I543-K545 PolarHBondContact O-N 3.11Š|
| 546 | E | 57.9 | Low | 59.9 | Low | 185 Ų | 185 | 130.2 Ų | 130.2 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | | | trans | -86.3 | 123.2 | 168.9 | -170.7 | 168.6 | 167.2 | 0 | 0 | 108 | K544 G548 | K544-E546 PolarHBondContact O-N 3.06Å; E546-G548 PolarHBondContact O-N 3.01Å |
| 547 | E | 58.6 | Low | 61.6 | Low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 68% | 0.677 | S | S | * | * | | | trans | -84 | 99.9 | 178.2 | -173.7 | 164 | -136.1 | 0 | 0 | 108.3 | V549 | E547-V549 PolarHBondContact O-N 2.78Š|
| 548 | G | 60.9 | Low | 63 | Low | 42 Ų | 42 | 124.2 Ų | 124.2 | 43% | 0.433 | 66% | 0.664 | S | S | . | * | | | trans | -65 | 131.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E546 F550 | E546-G548 PolarHBondContact O-N 3.01Å; G548-F550 WeakPolarHBondContact O-CD2 3.4Å; G548-F550 WeakPolarHBondContact O-CE2 3.35Å; G548-F550 PolarHBondContact O-N 3.04Å; G548-F550 VanDerWaalsContact O-N 3.09Å |
| 549 | V | 68.8 | Low | 64.6 | Low | 127 Ų | 127 | 121.4 Ų | 121.4 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | | | trans | -70.1 | 105.9 | 178.2 | 179.5 | 0 | 0 | 0 | 0 | 109.6 | E547 V551 | E547-V549 PolarHBondContact O-N 2.78Å; V549-V551 PolarHBondContact O-N 3.04Å |
| 550 | F | 60.7 | Low | 66 | Low | 138 Ų | 138 | 120.7 Ų | 120.7 | 61% | 0.605 | 64% | 0.641 | S | S | * | * | | | trans | -76.7 | 105.5 | -179.8 | -71.1 | -80.2 | 0 | 0 | 0 | 111.5 | G548 G552 E553 | G548-F550 WeakPolarHBondContact O-CD2 3.4Å; G548-F550 WeakPolarHBondContact O-CE2 3.35Å; G548-F550 PolarHBondContact O-N 3.04Å; G548-F550 VanDerWaalsContact O-N 3.09Å; F550-G552 PolarHBondContact O-N 3Å; F550-G552 VanDerWaalsContact O-N 3.12Å; F550-E553 HydrophobicContact CB-CB 4.48Å; F550-E553 PolarHBondContact O-N 2.75Å |
| 551 | V | 67.5 | Low | 67.4 | Low | 135 Ų | 135 | 121.8 Ų | 121.8 | 82% | 0.818 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | 110.4 | 172.3 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | V549 T557 | V549-V551 PolarHBondContact O-N 3.04Å; V551-T557 HydrophobicContact CG1-CG2 3.98Å |
| 552 | G | 70.4 | Confident | 68.8 | Low | 41 Ų | 41 | 127.7 Ų | 127.7 | 42% | 0.423 | 65% | 0.648 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 124.2 | -10 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | F550 | F550-G552 PolarHBondContact O-N 3Å; F550-G552 VanDerWaalsContact O-N 3.12Å |
| 553 | E | 77.6 | Confident | 70.2 | Confident | 140 Ų | 140 | 122.2 Ų | 122.2 | 65% | 0.654 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -68.1 | -33 | 180 | -169.5 | -160 | 146.3 | 0 | 0 | 113.4 | F550 | F550-E553 HydrophobicContact CB-CB 4.48Å; F550-E553 PolarHBondContact O-N 2.75Å |
| 554 | R | 79.3 | Confident | 71.2 | Confident | 140 Ų | 140 | 121.7 Ų | 121.7 | 53% | 0.528 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -91.9 | 141.7 | -176.1 | -70.4 | 173.7 | 167.8 | 63.8 | 8.2 | 111.7 | D556 T557 | R554-D556 WeakPolarHBondContact CB-OD1 3.48Å; R554-D556 PolarHBondContact O-N 3.3Å; R554-D556 VanDerWaalsContact O-N 3.1Å; R554-T557 WeakPolarHBondContact O-CA 3.37Å; R554-T557 WeakPolarHBondContact O-CB 3.47Å; R554-T557 PolarHBondContact O-N 3.39Å |
| 555 | D | 73.3 | Confident | 71.9 | Confident | 93 Ų | 93 | 117.7 Ų | 117.7 | 50% | 0.497 | 60% | 0.6 | S | S | . | * | G | 310 helix | trans | -54.4 | -28.5 | 172 | -69 | -79.6 | 0 | 0 | 0 | 113.4 | T557 L558 R563 | D555-T557 PolarHBondContact O-N 3.12Å; D555-L558 PolarHBondContact O-N 2.79Å; D555-R563 WeakPolarHBondContact O-CD 3.37Å; D555-R563 WeakPolarHBondContact O-CG 2.99Å; D555-R563 PolarHBondContact O-NE 3.39Å |
| 556 | D | 74.8 | Confident | 72.7 | Confident | 101 Ų | 101 | 113.4 Ų | 113.4 | 54% | 0.54 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -72 | -12.4 | 176.1 | 71.5 | 1.8 | 0 | 0 | 0 | 114.4 | R554 R563 | R554-D556 WeakPolarHBondContact CB-OD1 3.48Å; R554-D556 PolarHBondContact O-N 3.3Å; R554-D556 VanDerWaalsContact O-N 3.1Å; D556-R563 PolarHBondContact O-NH2 3.35Å |
| 557 | T | 85.8 | Confident | 73.2 | Confident | 65 Ų | 65 | 110.5 Ų | 110.5 | 40% | 0.399 | 57% | 0.568 | S | S | . | * | G | 310 helix | trans | -93.9 | -15.3 | 176.1 | -48.5 | 0 | 0 | 0 | 0 | 111.4 | V551 R554 D555 | V551-T557 HydrophobicContact CG1-CG2 3.98Å; R554-T557 WeakPolarHBondContact O-CA 3.37Å; R554-T557 WeakPolarHBondContact O-CB 3.47Å; R554-T557 PolarHBondContact O-N 3.39Å; D555-T557 PolarHBondContact O-N 3.12Å |
| 558 | L | 82.3 | Confident | 73.7 | Confident | 66 Ų | 66 | 107.3 Ų | 107.3 | 35% | 0.346 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -73.6 | 147.9 | 168.5 | -60.8 | 178 | 0 | 0 | 0 | 110.8 | D555 R563 | D555-L558 PolarHBondContact O-N 2.79Å; L558-R563 HydrophobicContact CB-CG 4.31Å; L558-R563 PolarHBondContact O-NE 2.71Å; L558-R563 PolarHBondContact O-NH2 3.25Å |
| 559 | P | 79.4 | Confident | 73.9 | Confident | 74 Ų | 74 | 110.4 Ų | 110.4 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | | | trans | -57.7 | 147.2 | 171 | -20.7 | 31.9 | 0 | 0 | 0 | 110.8 | D561 Y562 R563 | P559-D561 VanDerWaalsContact C-N 3.26Å; P559-D561 PolarHBondContact O-N 2.96Å; P559-D561 VanDerWaalsContact O-N 3.1Å; P559-Y562 HydrophobicContact CB-CD2 4.2Å; P559-Y562 HydrophobicContact CG-CD2 4.41Å; P559-Y562 PolarHBondContact O-N 3.3Å; P559-R563 WeakPolarHBondContact O-CG 3.34Å; P559-R563 PolarHBondContact O-N 3.33Å |
| 560 | P | 78.6 | Confident | 73.9 | Confident | 91 Ų | 91 | 111.1 Ų | 111.1 | 59% | 0.591 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -49.9 | -41 | -173 | -31 | 37 | 0 | 0 | 0 | 115.2 | Y562 R563 | P560-Y562 PolarHBondContact O-N 3.35Å; P560-R563 PolarHBondContact O-N 2.94Å |
| 561 | D | 78.5 | Confident | 74.3 | Confident | 153 Ų | 153 | 111.8 Ų | 111.8 | 82% | 0.818 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -72.4 | -7.1 | -177.9 | -48.4 | -48.3 | 0 | 0 | 0 | 114 | P559 | P559-D561 VanDerWaalsContact C-N 3.26Å; P559-D561 PolarHBondContact O-N 2.96Å; P559-D561 VanDerWaalsContact O-N 3.1Å |
| 562 | Y | 71.1 | Confident | 74.1 | Confident | 181 Ų | 181 | 111 Ų | 111 | 71% | 0.71 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -115.6 | 5.7 | 179.7 | -70.6 | -90.8 | 0 | 0 | 0 | 113.1 | P559 P560 | P559-Y562 HydrophobicContact CB-CD2 4.2Å; P559-Y562 HydrophobicContact CG-CD2 4.41Å; P559-Y562 PolarHBondContact O-N 3.3Å; P560-Y562 PolarHBondContact O-N 3.35Å |
| 563 | R | 82.9 | Confident | 74 | Confident | 98 Ų | 98 | 114.6 Ų | 114.6 | 37% | 0.37 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -76.7 | 144 | 176.9 | -57.9 | -169.8 | -179 | -166.8 | -6.1 | 110.5 | D555 D556 L558 P559 P560 N565 | D555-R563 WeakPolarHBondContact O-CD 3.37Å; D555-R563 WeakPolarHBondContact O-CG 2.99Å; D555-R563 PolarHBondContact O-NE 3.39Å; D556-R563 PolarHBondContact O-NH2 3.35Å; L558-R563 HydrophobicContact CB-CG 4.31Å; L558-R563 PolarHBondContact O-NE 2.71Å; L558-R563 PolarHBondContact O-NH2 3.25Å; P559-R563 WeakPolarHBondContact O-CG 3.34Å; P559-R563 PolarHBondContact O-N 3.33Å; P560-R563 PolarHBondContact O-N 2.94Å; R563-N565 PolarHBondContact O-N 2.83Å |
| 564 | F | 75.4 | Confident | 73.2 | Confident | 136 Ų | 136 | 112.3 Ų | 112.3 | 60% | 0.596 | 57% | 0.568 | S | S | * | * | | | trans | -74.9 | 90.2 | -179.3 | -175.2 | -102.5 | 0 | 0 | 0 | 111.8 | K566 L569 | F564-K566 VanDerWaalsContact C-N 3.28Å; F564-K566 HydrophobicContact CD1-CB 4.05Å; F564-K566 HydrophobicContact CE1-CB 3.76Å; F564-K566 HydrophobicContact CE1-CD 4.39Å; F564-K566 HydrophobicContact CE1-CG 4.02Å; F564-K566 PolarHBondContact O-N 3.39Å; F564-L569 HydrophobicContact CE2-CD2 4.39Å; F564-L569 HydrophobicContact CZ-CD2 3.92Å |
| 565 | N | 71.4 | Confident | 72.6 | Confident | 78 Ų | 78 | 111.4 Ų | 111.4 | 42% | 0.417 | 58% | 0.58 | S | S | . | * | | | trans | -71.9 | 77.3 | 177.4 | -67.8 | -15.8 | 0 | 0 | 0 | 111.6 | R563 E567 E568 L569 | R563-N565 PolarHBondContact O-N 2.83Å; N565-E567 PolarHBondContact O-N 3Å; N565-E568 HydrophobicContact CB-CB 4.04Å; N565-E568 HydrophobicContact CB-CG 3.95Å; N565-E568 WeakPolarHBondContact CB-OE2 3.4Å; N565-E568 PolarHBondContact ND2-OE2 2.87Å; N565-E568 PolarHBondContact O-N 3.06Å; N565-L569 PolarHBondContact O-N 2.87Å |
| 566 | K | 72.8 | Confident | 72 | Confident | 114 Ų | 114 | 116 Ų | 116 | 50% | 0.496 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -56.7 | -37.5 | 179.5 | -170.2 | 171.1 | 176.7 | 178.4 | 0 | 112.3 | F564 E568 L569 E570 | F564-K566 VanDerWaalsContact C-N 3.28Å; F564-K566 HydrophobicContact CD1-CB 4.05Å; F564-K566 HydrophobicContact CE1-CB 3.76Å; F564-K566 HydrophobicContact CE1-CD 4.39Å; F564-K566 HydrophobicContact CE1-CG 4.02Å; F564-K566 PolarHBondContact O-N 3.39Å; K566-E568 PolarHBondContact O-N 3.08Å; K566-L569 PolarHBondContact O-N 3.11Å; K566-E570 WeakPolarHBondContact CE-OE1 3.07Å; K566-E570 PolarHBondContact O-N 3.25Å |
| 567 | E | 68.1 | Low | 71.2 | Confident | 124 Ų | 124 | 117.1 Ų | 117.1 | 58% | 0.579 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.9 | -9.8 | 176.5 | -58.8 | 82.4 | 174.6 | 0 | 0 | 113.7 | N565 K571 | N565-E567 PolarHBondContact O-N 3Å; E567-K571 WeakPolarHBondContact O-CD 3.33Å; E567-K571 WeakPolarHBondContact O-CE 3.48Å; E567-K571 WeakPolarHBondContact O-CG 3.41Å; E567-K571 PolarHBondContact O-NZ 2.89Å |
| 568 | E | 68.3 | Low | 70.3 | Confident | 117 Ų | 117 | 122.3 Ų | 122.3 | 55% | 0.547 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -89.6 | -39.3 | 167.7 | -68.6 | -168.9 | 123.1 | 0 | 0 | 111.1 | N565 K566 E570 K571 L572 | N565-E568 HydrophobicContact CB-CB 4.04Å; N565-E568 HydrophobicContact CB-CG 3.95Å; N565-E568 WeakPolarHBondContact CB-OE2 3.4Å; N565-E568 PolarHBondContact ND2-OE2 2.87Å; N565-E568 PolarHBondContact O-N 3.06Å; K566-E568 PolarHBondContact O-N 3.08Å; E568-E570 VanDerWaalsContact C-N 3.33Å; E568-E570 PolarHBondContact O-N 3.43Å; E568-K571 WeakPolarHBondContact O-CB 3.33Å; E568-K571 PolarHBondContact O-N 2.99Å; E568-L572 PolarHBondContact O-N 3.03Å |
| 569 | L | 65.1 | Low | 69.3 | Low | 106 Ų | 106 | 124.9 Ų | 124.9 | 56% | 0.555 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -62.2 | -39.6 | 174.6 | -170 | 62.6 | 0 | 0 | 0 | 111.9 | F564 N565 K566 K571 L572 | F564-L569 HydrophobicContact CE2-CD2 4.39Å; F564-L569 HydrophobicContact CZ-CD2 3.92Å; N565-L569 PolarHBondContact O-N 2.87Å; K566-L569 PolarHBondContact O-N 3.11Å; L569-K571 PolarHBondContact O-N 3.49Å; L569-L572 HydrophobicContact CD1-CD1 4.43Å; L569-L572 PolarHBondContact O-N 2.93Å |
| 570 | E | 68.8 | Low | 68.4 | Low | 142 Ų | 142 | 126 Ų | 126 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -10.1 | 174.6 | -69.4 | -178.8 | -168.5 | 0 | 0 | 114.1 | K566 E568 | K566-E570 WeakPolarHBondContact CE-OE1 3.07Å; K566-E570 PolarHBondContact O-N 3.25Å; E568-E570 VanDerWaalsContact C-N 3.33Å; E568-E570 PolarHBondContact O-N 3.43Å |
| 571 | K | 69.7 | Low | 67.6 | Low | 153 Ų | 153 | 127.5 Ų | 127.5 | 67% | 0.665 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -15.1 | 171.9 | -73 | 172.9 | -164.1 | 118.4 | 0 | 113.2 | E567 E568 L569 | E567-K571 WeakPolarHBondContact O-CD 3.33Å; E567-K571 WeakPolarHBondContact O-CE 3.48Å; E567-K571 WeakPolarHBondContact O-CG 3.41Å; E567-K571 PolarHBondContact O-NZ 2.89Å; E568-K571 WeakPolarHBondContact O-CB 3.33Å; E568-K571 PolarHBondContact O-N 2.99Å; L569-K571 PolarHBondContact O-N 3.49Å |
| 572 | L | 63.6 | Low | 67.1 | Low | 118 Ų | 118 | 121.8 Ų | 121.8 | 62% | 0.618 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -74.4 | 130.2 | 172.3 | -65.7 | 178 | 0 | 0 | 0 | 109.1 | E568 L569 A574 | E568-L572 PolarHBondContact O-N 3.03Å; L569-L572 HydrophobicContact CD1-CD1 4.43Å; L569-L572 PolarHBondContact O-N 2.93Å; L572-A574 PolarHBondContact O-N 3.19Å |
| 573 | P | 66.7 | Low | 66.8 | Low | 117 Ų | 117 | 119 Ų | 119 | 76% | 0.76 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 129 | 175.2 | 26.8 | -33.3 | 0 | 0 | 0 | 108.7 | | |
| 574 | A | 61.9 | Low | 66.3 | Low | 91 Ų | 91 | 116.7 Ų | 116.7 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 129.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L572 K576 | L572-A574 PolarHBondContact O-N 3.19Å; A574-K576 PolarHBondContact O-N 2.99Å |
| 575 | P | 66.4 | Low | 66.1 | Low | 121 Ų | 121 | 115.6 Ų | 115.6 | 79% | 0.786 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 141.3 | 178 | 24.5 | -33.2 | 0 | 0 | 0 | 109 | | |
| 576 | K | 60.4 | Low | 66.3 | Low | 189 Ų | 189 | 113.6 Ų | 113.6 | 82% | 0.822 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 137.6 | 172.6 | -73.7 | -173 | 178.8 | 64.3 | 0 | 107.8 | A574 E578 | A574-K576 PolarHBondContact O-N 2.99Å; K576-E578 PolarHBondContact O-N 3.2Å; K576-E578 VanDerWaalsContact O-N 3.15Å |
| 577 | P | 59.3 | Low | 66.4 | Low | 126 Ų | 126 | 113.3 Ų | 113.3 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 124 | 173.9 | 25.2 | -33.3 | 0 | 0 | 0 | 108.6 | | |
| 578 | E | 65 | Low | 66.7 | Low | 174 Ų | 174 | 113.1 Ų | 113.1 | 81% | 0.813 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 150.6 | 165.6 | -74.2 | -175.6 | 116.5 | 0 | 0 | 109.3 | K576 A580 | K576-E578 PolarHBondContact O-N 3.2Å; K576-E578 VanDerWaalsContact O-N 3.15Å; E578-A580 PolarHBondContact O-N 3.19Å |
| 579 | P | 63.1 | Low | 67 | Low | 119 Ų | 119 | 112.2 Ų | 112.2 | 77% | 0.773 | 65% | 0.646 | S | S | * | * | | | trans | -63.8 | 104.2 | 169.7 | 28.2 | -32.9 | 0 | 0 | 0 | 108.3 | M581 | P579-M581 PolarHBondContact O-N 3.05Š|
| 580 | A | 59.5 | Low | 67.3 | Low | 98 Ų | 98 | 112.6 Ų | 112.6 | 81% | 0.81 | 65% | 0.648 | S | S | * | * | | | trans | -63.3 | 101.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | E578 G582 | E578-A580 PolarHBondContact O-N 3.19Å; A580-G582 PolarHBondContact O-N 3.31Å |
| 581 | M | 61.1 | Low | 67.4 | Low | 123 Ų | 123 | 109.2 Ų | 109.2 | 61% | 0.606 | 64% | 0.64 | S | S | * | * | | | trans | -54.9 | 130.2 | -178.8 | -59.6 | -158.2 | -46.8 | 0 | 0 | 109.4 | P579 E585 I589 | P579-M581 PolarHBondContact O-N 3.05Å; M581-E585 WeakPolarHBondContact CA-OE2 3.49Å; M581-I589 HydrophobicContact CE-CD1 4.26Å; M581-I589 HydrophobicContact SD-CD1 4.27Å |
| 582 | G | 69 | Low | 66.9 | Low | 33 Ų | 33 | 103.4 Ų | 103.4 | 34% | 0.34 | 62% | 0.624 | S | S | . | * | | | trans | -61.1 | 146.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | A580 G584 E585 A586 | A580-G582 PolarHBondContact O-N 3.31Å; G582-G584 PolarHBondContact O-N 3.09Å; G582-G584 VanDerWaalsContact O-N 3.11Å; G582-E585 PolarHBondContact N-OE2 2.65Å; G582-E585 WeakPolarHBondContact O-CA 3.35Å; G582-E585 WeakPolarHBondContact O-CB 3.49Å; G582-E585 PolarHBondContact O-N 3.46Å; G582-A586 PolarHBondContact O-N 2.85Å |
| 583 | T | 65.3 | Low | 66.8 | Low | 122 Ų | 122 | 104.2 Ų | 104.2 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -57.4 | -27.4 | 172.4 | 46.4 | 0 | 0 | 0 | 0 | 112.1 | L587 | T583-L587 WeakPolarHBondContact O-CB 3.44Å; T583-L587 WeakPolarHBondContact O-CD1 3.45Å; T583-L587 VanDerWaalsContact O-CG 3.22Å; T583-L587 WeakPolarHBondContact O-CG 3.23Å; T583-L587 PolarHBondContact O-N 3.5Å; T583-L587 VanDerWaalsContact O-N 3.09Å |
| 584 | G | 72.4 | Confident | 66.3 | Low | 49 Ų | 49 | 107.2 Ų | 107.2 | 51% | 0.505 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -66.5 | -39.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G582 L587 D588 | G582-G584 PolarHBondContact O-N 3.09Å; G582-G584 VanDerWaalsContact O-N 3.11Å; G584-L587 PolarHBondContact O-N 3.45Å; G584-D588 WeakPolarHBondContact O-CB 3.25Å; G584-D588 PolarHBondContact O-N 3.22Å |
| 585 | E | 70.4 | Confident | 66.1 | Low | 114 Ų | 114 | 109.1 Ų | 109.1 | 53% | 0.533 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -71 | -40.4 | 177.7 | -62.8 | 174.5 | 140.8 | 0 | 0 | 111 | M581 G582 L587 D588 I589 | M581-E585 WeakPolarHBondContact CA-OE2 3.49Å; G582-E585 PolarHBondContact N-OE2 2.65Å; G582-E585 WeakPolarHBondContact O-CA 3.35Å; G582-E585 WeakPolarHBondContact O-CB 3.49Å; G582-E585 PolarHBondContact O-N 3.46Å; E585-L587 VanDerWaalsContact C-N 3.3Å; E585-L587 PolarHBondContact O-N 3.44Å; E585-D588 PolarHBondContact O-N 3.28Å; E585-I589 WeakPolarHBondContact O-CD1 3.38Å; E585-I589 VanDerWaalsContact O-CG1 3.26Å; E585-I589 WeakPolarHBondContact O-CG1 3.33Å; E585-I589 PolarHBondContact O-N 2.7Å |
| 586 | A | 74.6 | Confident | 65 | Low | 36 Ų | 36 | 107.1 Ų | 107.1 | 30% | 0.298 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.6 | -39.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | G582 L590 | G582-A586 PolarHBondContact O-N 2.85Å; A586-L590 WeakPolarHBondContact O-CB 3.41Å; A586-L590 WeakPolarHBondContact O-CD1 3.44Å; A586-L590 WeakPolarHBondContact O-CG 3.5Å; A586-L590 PolarHBondContact O-N 3.22Å; A586-L590 VanDerWaalsContact O-N 3.1Å |
| 587 | L | 75.6 | Confident | 64.6 | Low | 107 Ų | 107 | 103.9 Ų | 103.9 | 56% | 0.56 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -74 | -32.1 | 175.8 | -72.4 | 170.9 | 0 | 0 | 0 | 113.2 | T583 G584 E585 L590 S591 | T583-L587 WeakPolarHBondContact O-CB 3.44Å; T583-L587 WeakPolarHBondContact O-CD1 3.45Å; T583-L587 VanDerWaalsContact O-CG 3.22Å; T583-L587 WeakPolarHBondContact O-CG 3.23Å; T583-L587 PolarHBondContact O-N 3.5Å; T583-L587 VanDerWaalsContact O-N 3.09Å; G584-L587 PolarHBondContact O-N 3.45Å; E585-L587 VanDerWaalsContact C-N 3.3Å; E585-L587 PolarHBondContact O-N 3.44Å; L587-L590 CarbonylContact O-C 3.57Å; L587-L590 PolarHBondContact O-N 3.14Å; L587-S591 VanDerWaalsContact O-CB 3.25Å; L587-S591 WeakPolarHBondContact O-CB 3.34Å; L587-S591 PolarHBondContact O-N 2.77Å; L587-S591 PolarHBondContact O-OG 3.24Å |
| 588 | D | 74.8 | Confident | 63.6 | Low | 120 Ų | 120 | 102.7 Ų | 102.7 | 64% | 0.642 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.4 | -44.4 | 175.5 | -165.5 | 51.1 | 0 | 0 | 0 | 111.1 | G584 E585 L590 S591 G592 | G584-D588 WeakPolarHBondContact O-CB 3.25Å; G584-D588 PolarHBondContact O-N 3.22Å; E585-D588 PolarHBondContact O-N 3.28Å; D588-L590 VanDerWaalsContact C-N 3.34Å; D588-L590 PolarHBondContact O-N 2.89Å; D588-S591 PolarHBondContact O-N 2.98Å; D588-G592 PolarHBondContact O-N 2.88Å |
| 589 | I | 74.9 | Confident | 62.3 | Low | 99 Ų | 99 | 98.8 Ų | 98.8 | 51% | 0.508 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -57 | -47 | 170.8 | -67 | 163.5 | 0 | 0 | 0 | 110.5 | M581 E585 S591 | M581-I589 HydrophobicContact CE-CD1 4.26Å; M581-I589 HydrophobicContact SD-CD1 4.27Å; E585-I589 WeakPolarHBondContact O-CD1 3.38Å; E585-I589 VanDerWaalsContact O-CG1 3.26Å; E585-I589 WeakPolarHBondContact O-CG1 3.33Å; E585-I589 PolarHBondContact O-N 2.7Å; I589-S591 PolarHBondContact O-N 3.27Å |
| 590 | L | 70.7 | Confident | 61.1 | Low | 114 Ų | 114 | 97.1 Ų | 97.1 | 60% | 0.597 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.9 | -12.6 | 177.3 | -71.7 | 169.3 | 0 | 0 | 0 | 114.3 | A586 L587 D588 F594 | A586-L590 WeakPolarHBondContact O-CB 3.41Å; A586-L590 WeakPolarHBondContact O-CD1 3.44Å; A586-L590 WeakPolarHBondContact O-CG 3.5Å; A586-L590 PolarHBondContact O-N 3.22Å; A586-L590 VanDerWaalsContact O-N 3.1Å; L587-L590 CarbonylContact O-C 3.57Å; L587-L590 PolarHBondContact O-N 3.14Å; D588-L590 VanDerWaalsContact C-N 3.34Å; D588-L590 PolarHBondContact O-N 2.89Å; L590-F594 VanDerWaalsContact O-CD2 3.26Å; L590-F594 WeakPolarHBondContact O-CD2 3.4Å; L590-F594 WeakPolarHBondContact O-CE2 3.43Å |
| 591 | S | 71.3 | Confident | 59.9 | Low | 70 Ų | 70 | 97.9 Ų | 97.9 | 49% | 0.49 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -103.4 | -31.3 | -179.3 | -59.6 | 0 | 0 | 0 | 0 | 113.3 | L587 D588 I589 D593 F594 | L587-S591 VanDerWaalsContact O-CB 3.25Å; L587-S591 WeakPolarHBondContact O-CB 3.34Å; L587-S591 PolarHBondContact O-N 2.77Å; L587-S591 PolarHBondContact O-OG 3.24Å; D588-S591 PolarHBondContact O-N 2.98Å; I589-S591 PolarHBondContact O-N 3.27Å; S591-D593 PolarHBondContact O-N 2.95Å; S591-F594 PolarHBondContact O-N 3.4Å |
| 592 | G | 58.9 | Low | 58.4 | Low | 32 Ų | 32 | 97.6 Ų | 97.6 | 33% | 0.33 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -63 | -40.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D588 F594 T595 S596 | D588-G592 PolarHBondContact O-N 2.88Å; G592-F594 PolarHBondContact O-N 2.93Å; G592-T595 PolarHBondContact O-N 2.92Å; G592-S596 PolarHBondContact O-N 3.11Å; G592-S596 VanDerWaalsContact O-N 3.12Å |
| 593 | D | 60.9 | Low | 56.7 | Low | 135 Ų | 135 | 102 Ų | 102 | 72% | 0.722 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -15.5 | -176.6 | -77.7 | -8.3 | 0 | 0 | 0 | 114 | S591 | S591-D593 PolarHBondContact O-N 2.95Š|
| 594 | F | 56.6 | Low | 55.1 | Low | 180 Ų | 180 | 104 Ų | 104 | 79% | 0.789 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -11 | 177.4 | -75.6 | -80.8 | 0 | 0 | 0 | 114.7 | L590 S591 G592 | L590-F594 VanDerWaalsContact O-CD2 3.26Å; L590-F594 WeakPolarHBondContact O-CD2 3.4Å; L590-F594 WeakPolarHBondContact O-CE2 3.43Å; S591-F594 PolarHBondContact O-N 3.4Å; G592-F594 PolarHBondContact O-N 2.93Å |
| 595 | T | 57.3 | Low | 53.3 | Low | 130 Ų | 130 | 105.3 Ų | 105.3 | 80% | 0.798 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.7 | -17.2 | -179.7 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | G592 S597 | G592-T595 PolarHBondContact O-N 2.92Å; T595-S597 PolarHBondContact O-N 3.29Å |
| 596 | S | 45 | Very low | 51.3 | Low | 80 Ų | 80 | 106.6 Ų | 106.6 | 56% | 0.559 | 66% | 0.663 | S | S | * | * | | | trans | -87 | 100.4 | 172.6 | -165.1 | 0 | 0 | 0 | 0 | 111 | G592 S598 | G592-S596 PolarHBondContact O-N 3.11Å; G592-S596 VanDerWaalsContact O-N 3.12Å; S596-S598 VanDerWaalsContact C-N 3.33Å; S596-S598 PolarHBondContact O-N 2.85Å |
| 597 | S | 50.2 | Low | 49.2 | Very low | 121 Ų | 121 | 111 Ų | 111 | 85% | 0.846 | 69% | 0.686 | S | S | * | * | | | trans | -63.9 | 95.7 | 165 | 175.5 | 0 | 0 | 0 | 0 | 108.7 | T595 A599 | T595-S597 PolarHBondContact O-N 3.29Å; S597-A599 PolarHBondContact O-N 3.42Å |
| 598 | S | 39.8 | Very low | 46.9 | Very low | 101 Ų | 101 | 108.6 Ų | 108.6 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | | | trans | -64.6 | 92.4 | -168.9 | -167.3 | 0 | 0 | 0 | 0 | 112.4 | S596 A600 | S596-S598 VanDerWaalsContact C-N 3.33Å; S596-S598 PolarHBondContact O-N 2.85Å; S598-A600 PolarHBondContact O-N 3.17Å |
| 599 | A | 37.9 | Very low | 44.9 | Very low | 92 Ų | 92 | 110.9 Ų | 110.9 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | | | trans | -62.6 | 115.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | S597 | S597-A599 PolarHBondContact O-N 3.42Š|
| 600 | A | 36.9 | Very low | 43 | Very low | 83 Ų | 83 | 111.9 Ų | 111.9 | 69% | 0.686 | 71% | 0.712 | S | S | * | * | | | trans | -54.1 | 126.8 | -167.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S598 V602 | S598-A600 PolarHBondContact O-N 3.17Å; A600-V602 PolarHBondContact O-N 3.26Å |
| 601 | P | 35 | Very low | 40.9 | Very low | 114 Ų | 114 | 111.3 Ų | 111.3 | 74% | 0.74 | 72% | 0.717 | S | S | * | * | | | trans | -64.6 | 109.6 | 171.3 | 26.1 | -32.2 | 0 | 0 | 0 | 108.8 | S603 | P601-S603 PolarHBondContact O-N 3.37Å; P601-S603 VanDerWaalsContact O-N 3.14Å |
| 602 | V | 29.5 | Very low | 39.1 | Very low | 118 Ų | 118 | 112.3 Ų | 112.3 | 72% | 0.715 | 73% | 0.73 | S | S | * | * | | | trans | -48.4 | 119.4 | 175.2 | 170.4 | 0 | 0 | 0 | 0 | 109.5 | A600 Q604 | A600-V602 PolarHBondContact O-N 3.26Å; V602-Q604 HydrophobicContact CG1-CB 4.38Å; V602-Q604 HydrophobicContact CG1-CG 4.03Å; V602-Q604 PolarHBondContact O-N 2.75Å |
| 603 | S | 33.5 | Very low | 38.2 | Very low | 126 Ų | 126 | 116.5 Ų | 116.5 | 88% | 0.881 | 75% | 0.751 | S | S | * | * | | | trans | -71.5 | 76.3 | 169.1 | -70 | 0 | 0 | 0 | 0 | 109.7 | P601 A605 | P601-S603 PolarHBondContact O-N 3.37Å; P601-S603 VanDerWaalsContact O-N 3.14Å; S603-A605 PolarHBondContact O-N 3.45Å |
| 604 | Q | 31 | Very low | 37.5 | Very low | 164 Ų | 164 | 115.8 Ų | 115.8 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 117.8 | 173 | -113.1 | 177.2 | 3.2 | 0 | 0 | 109 | V602 | V602-Q604 HydrophobicContact CG1-CB 4.38Å; V602-Q604 HydrophobicContact CG1-CG 4.03Å; V602-Q604 PolarHBondContact O-N 2.75Å |
| 605 | A | 34.3 | Very low | 36.2 | Very low | 76 Ų | 76 | 112 Ų | 112 | 63% | 0.628 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 158.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S603 V607 | S603-A605 PolarHBondContact O-N 3.45Å; A605-V607 PolarHBondContact O-N 3.05Å; A605-V607 VanDerWaalsContact O-N 3.11Å |
| 606 | P | 28.6 | Very low | 34.9 | Very low | 140 Ų | 140 | 114.3 Ų | 114.3 | 91% | 0.909 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 116.9 | -175.7 | -24.6 | 34.7 | 0 | 0 | 0 | 113.1 | | |
| 607 | V | 30.2 | Very low | 34.4 | Very low | 128 Ų | 128 | 115.7 Ų | 115.7 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 132.1 | 161.4 | -172 | 0 | 0 | 0 | 0 | 106.3 | A605 | A605-V607 PolarHBondContact O-N 3.05Å; A605-V607 VanDerWaalsContact O-N 3.11Å |
| 608 | G | 27.8 | Very low | 34.2 | Very low | 57 Ų | 57 | 114.6 Ų | 114.6 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | | | cis | 117.6 | 147.7 | 16.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 609 | L | 32.6 | Very low | 33.9 | Very low | 169 Ų | 169 | 117.1 Ų | 117.1 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | | | trans | -143.5 | 149.4 | 175.9 | -78.9 | -178.6 | 0 | 0 | 0 | 109.1 | | |
| 610 | P | 35.9 | Very low | 34.1 | Very low | 120 Ų | 120 | 117.8 Ų | 117.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | cis | -131.8 | 158.8 | 27.8 | 41.1 | -26.2 | 0 | 0 | 0 | 118.1 | | |
| 611 | S | 26.9 | Very low | 34.4 | Very low | 102 Ų | 102 | 118.1 Ų | 118.1 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | 68.9 | 106.8 | 135.9 | -172.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 612 | A | 31.6 | Very low | 34.7 | Very low | 91 Ų | 91 | 119.9 Ų | 119.9 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | 82.7 | 159.7 | 133 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 613 | P | 40.9 | Very low | 35.6 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -109.9 | -166.4 | -158.6 | 47 | -38.2 | 0 | 0 | 0 | 112.2 | | |
| 614 | P | 46.1 | Very low | 36.2 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | cis | -142.3 | -161.6 | 6.8 | 44.9 | -24.8 | 0 | 0 | 0 | 116.4 | | |
| 615 | A | 29.4 | Very low | 36.8 | Very low | 100 Ų | 100 | 120.6 Ų | 120.6 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | trans | 107.6 | 138.3 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 616 | Q | 30.5 | Very low | 36.8 | Very low | 180 Ų | 180 | 122.1 Ų | 122.1 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | | | trans | -92 | 154.3 | -161.1 | -58 | 156.5 | -77.1 | 0 | 0 | 114.8 | | |
| 617 | S | 34.5 | Very low | 37.1 | Very low | 109 Ų | 109 | 118.9 Ų | 118.9 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | | | trans | 63.6 | 175.3 | 139.2 | 71.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 618 | P | 45.7 | Very low | 37.3 | Very low | 98 Ų | 98 | 119.7 Ų | 119.7 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | | -133.7 | 175.6 | -66.3 | 39.7 | -25.8 | 0 | 0 | 0 | 115.3 | | |
| 619 | N | 33.8 | Very low | 37.4 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | 75.5 | 160.8 | 159.7 | -60.7 | -24.1 | 0 | 0 | 0 | 119.8 | | |
| 620 | A | 41.7 | Very low | 37.5 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 87% | 0.868 | 80% | 0.798 | S | S | * | * | | | trans | 82.3 | 32.2 | 158.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 621 | A | 44 | Very low | 37.3 | Very low | 91 Ų | 91 | 123.4 Ų | 123.4 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | -156.8 | 142.7 | 147.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 622 | L | 41.1 | Very low | 37.5 | Very low | 151 Ų | 151 | 124.6 Ų | 124.6 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | | | cis | -129.1 | 127.1 | 12.1 | -69.7 | 159.5 | 0 | 0 | 0 | 111 | A624 | L622-A624 VanDerWaalsContact C-N 3.33Å; L622-A624 PolarHBondContact O-N 2.85Å |
| 623 | V | 47.3 | Very low | 37.3 | Very low | 164 Ų | 164 | 126 Ų | 126 | 99% | 0.994 | 81% | 0.812 | S | S | * | * | | | trans | -90.3 | 78.1 | 159.7 | 179.3 | 0 | 0 | 0 | 0 | 107.5 | | |
| 624 | A | 47.2 | Very low | 36.8 | Very low | 74 Ų | 74 | 124.3 Ų | 124.3 | 61% | 0.612 | 81% | 0.808 | S | S | * | * | | | trans | -159.5 | 150.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | L622 | L622-A624 VanDerWaalsContact C-N 3.33Å; L622-A624 PolarHBondContact O-N 2.85Å |
| 625 | L | 42.1 | Very low | 36.5 | Very low | 184 Ų | 184 | 123.5 Ų | 123.5 | 96% | 0.963 | 81% | 0.811 | S | S | * | * | | | trans | 65.7 | 42.7 | 170.4 | -144.5 | 80.9 | 0 | 0 | 0 | 117.3 | | |
| 626 | A | 36 | Very low | 36.7 | Very low | 108 Ų | 108 | 124.5 Ų | 124.5 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -100.9 | 108.3 | 151.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 627 | G | 32.9 | Very low | 36.6 | Very low | 72 Ų | 72 | 120.5 Ų | 120.5 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | -158.9 | 135.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 628 | D | 34.7 | Very low | 36.3 | Very low | 145 Ų | 145 | 122 Ų | 122 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | S | Bend | trans | 81.5 | 149.3 | 171.9 | -142.7 | 1.5 | 0 | 0 | 0 | 118.9 | | |
| 629 | F | 30.1 | Very low | 35.5 | Very low | 180 Ų | 180 | 125.4 Ų | 125.4 | 79% | 0.789 | 81% | 0.81 | S | S | * | * | | | trans | 58.4 | 79.8 | 175.5 | -76.9 | -86.7 | 0 | 0 | 0 | 121 | | |
| 630 | V | 34.8 | Very low | 35.1 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | | | trans | -138 | 144.6 | 135.8 | -178.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 631 | A | 32.4 | Very low | 34.5 | Very low | 96 Ų | 96 | 123.1 Ų | 123.1 | 79% | 0.793 | 81% | 0.805 | S | S | * | * | | | trans | -79.4 | 164.5 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 632 | S | 30.8 | Very low | 34.1 | Very low | 127 Ų | 127 | 124 Ų | 124 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | | | trans | -69.7 | 129.8 | -170.3 | -49.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 633 | S | 28.2 | Very low | 33.3 | Very low | 121 Ų | 121 | 122.4 Ų | 122.4 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | 172.1 | 128.8 | 133 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | | |
| 634 | A | 30.4 | Very low | 32.5 | Very low | 84 Ų | 84 | 121.3 Ų | 121.3 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | | | cis | -160.7 | 149.2 | -16.2 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 635 | A | 38.9 | Very low | 31.7 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | | | trans | 66.1 | 148.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 636 | P | 33.9 | Very low | 31.6 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | | | cis | -139.3 | 166.6 | 40.4 | 41.1 | -22.6 | 0 | 0 | 0 | 118.8 | | |
| 637 | S | 28.2 | Very low | 31.1 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 67% | 0.671 | 79% | 0.791 | S | S | * | * | | | trans | -9.7 | 130.2 | 152.8 | 173.1 | 0 | 0 | 0 | 0 | 118.7 | | |
| 638 | V | 28 | Very low | 31.2 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | | | | -161.2 | 137.1 | 115.5 | 140.8 | 0 | 0 | 0 | 0 | 111 | | |
| 639 | K | 28.5 | Very low | 31 | Very low | 169 Ų | 169 | 122.1 Ų | 122.1 | 74% | 0.735 | 79% | 0.789 | S | S | * | * | | | trans | -83.7 | 158.4 | -178.3 | -64.8 | 168.7 | 152.2 | 59.7 | 0 | 112.5 | | |
| 640 | S | 25.8 | Very low | 31.3 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | | | trans | 70.4 | 142.1 | 150.3 | -61.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 641 | A | 29.7 | Very low | 31.5 | Very low | 90 Ų | 90 | 119.4 Ų | 119.4 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | cis | -167.3 | -170.1 | -5 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 642 | P | 35.4 | Very low | 31.8 | Very low | 109 Ų | 109 | 120.9 Ų | 120.9 | 71% | 0.708 | 78% | 0.782 | S | S | * | * | | | cis | -132.8 | 165.9 | -5.3 | 41.2 | -24.9 | 0 | 0 | 0 | 116.3 | | |
| 643 | C | 24.7 | Very low | 31.9 | Very low | 119 Ų | 119 | 123.8 Ų | 123.8 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | 41.7 | 144.8 | 141.9 | -53.3 | 0 | 0 | 0 | 0 | 121 | | |
| 644 | V | 28.9 | Very low | 32.5 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | | | cis | -147.6 | 149.9 | 43.7 | 166.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 645 | A | 31.5 | Very low | 33.4 | Very low | 83 Ų | 83 | 127.3 Ų | 127.3 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | | | trans | -91.2 | 165.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 646 | P | 39.4 | Very low | 33.8 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | | -135.3 | 174.4 | 90.1 | 21.9 | -1.9 | 0 | 0 | 0 | 112.5 | | |
| 647 | D | 26.1 | Very low | 34.4 | Very low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | | | cis | -176.1 | 179.6 | -25.6 | -164.8 | -5.9 | 0 | 0 | 0 | 105.7 | | |
| 648 | A | 33.6 | Very low | 35.5 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 65% | 0.653 | 78% | 0.778 | S | S | * | * | | | trans | 78.4 | 95 | 174 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 649 | D | 32.2 | Very low | 36.9 | Very low | 155 Ų | 155 | 126.8 Ų | 126.8 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | 50.1 | 95.3 | 134.1 | -61.7 | -43 | 0 | 0 | 0 | 123.3 | | |
| 650 | I | 35.3 | Very low | 38.4 | Very low | 152 Ų | 152 | 122.5 Ų | 122.5 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | | | | -5.8 | 129.7 | 121.9 | -72.4 | 170.8 | 0 | 0 | 0 | 114.7 | | |
| 651 | P | 39.4 | Very low | 40.6 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | | | | -138.9 | 145.6 | 77.6 | 38.2 | -23 | 0 | 0 | 0 | 119.2 | | |
| 652 | T | 38.6 | Very low | 42.8 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | | | trans | -49.9 | 124.4 | 169.4 | -50 | 0 | 0 | 0 | 0 | 114.7 | | |
| 653 | Q | 32.5 | Very low | 44.8 | Very low | 188 Ų | 188 | 121.3 Ų | 121.3 | 88% | 0.879 | 73% | 0.727 | S | S | * | * | | | trans | -157.1 | 110.2 | 140.7 | -116.2 | 173.8 | 15.7 | 0 | 0 | 112.5 | | |
| 654 | L | 41.1 | Very low | 47.4 | Very low | 158 Ų | 158 | 118.5 Ų | 118.5 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | | | trans | -82.1 | 159.3 | 138.7 | -63.1 | 173.3 | 0 | 0 | 0 | 106.9 | | |
| 655 | P | 49.2 | Very low | 49.7 | Very low | 121 Ų | 121 | 116.7 Ų | 116.7 | 79% | 0.786 | 70% | 0.698 | S | S | * | * | | | cis | -135.3 | 150.5 | 8 | 39 | -22.7 | 0 | 0 | 0 | 115.7 | | |
| 656 | A | 48.1 | Very low | 52.1 | Low | 96 Ų | 96 | 116.3 Ų | 116.3 | 79% | 0.793 | 69% | 0.69 | S | S | * | * | | | trans | -179.5 | 86.3 | 148.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 657 | E | 46.7 | Very low | 53.6 | Low | 141 Ų | 141 | 116.6 Ų | 116.6 | 66% | 0.659 | 69% | 0.685 | S | S | * | * | | | trans | -154.9 | 33 | 172.9 | -128.3 | -176.9 | 148.6 | 0 | 0 | 115.6 | D659 N660 | E657-D659 VanDerWaalsContact C-N 3.3Å; E657-N660 HydrophobicContact CG-CB 3.91Å; E657-N660 VanDerWaalsContact CG-ND2 3.32Å; E657-N660 WeakPolarHBondContact CG-ND2 3.48Å; E657-N660 PolarHBondContact OE1-ND2 3.07Å |
| 658 | A | 51.5 | Low | 55.7 | Low | 82 Ų | 82 | 114 Ų | 114 | 68% | 0.678 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -69.8 | -30.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A661 | A658-A661 WeakPolarHBondContact O-CB 3.44Å; A658-A661 PolarHBondContact O-N 3.34Å |
| 659 | D | 56.9 | Low | 57.5 | Low | 130 Ų | 130 | 117 Ų | 117 | 70% | 0.695 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -36 | -172.7 | -53.6 | -69.7 | 0 | 0 | 0 | 112.8 | E657 A661 L662 | E657-D659 VanDerWaalsContact C-N 3.3Å; D659-A661 PolarHBondContact O-N 2.87Å; D659-A661 VanDerWaalsContact O-N 3.16Å; D659-L662 PolarHBondContact O-N 3.29Å; D659-L662 VanDerWaalsContact O-N 3.15Å |
| 660 | N | 59.8 | Low | 59.1 | Low | 79 Ų | 79 | 118 Ų | 118 | 42% | 0.422 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -71 | -6.9 | 176 | -57.3 | -8.1 | 0 | 0 | 0 | 112.7 | E657 L662 D663 A664 | E657-N660 HydrophobicContact CG-CB 3.91Å; E657-N660 VanDerWaalsContact CG-ND2 3.32Å; E657-N660 WeakPolarHBondContact CG-ND2 3.48Å; E657-N660 PolarHBondContact OE1-ND2 3.07Å; N660-L662 PolarHBondContact O-N 3.3Å; N660-D663 PolarHBondContact O-N 3.05Å; N660-A664 VanDerWaalsContact O-CB 3.3Å; N660-A664 WeakPolarHBondContact O-CB 3.37Å; N660-A664 PolarHBondContact O-N 3.46Å |
| 661 | A | 71.9 | Confident | 60.1 | Low | 54 Ų | 54 | 118.6 Ų | 118.6 | 45% | 0.446 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -62.2 | -31.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A658 D659 L665 | A658-A661 WeakPolarHBondContact O-CB 3.44Å; A658-A661 PolarHBondContact O-N 3.34Å; D659-A661 PolarHBondContact O-N 2.87Å; D659-A661 VanDerWaalsContact O-N 3.16Å; A661-L665 WeakPolarHBondContact O-CD1 3.29Å; A661-L665 VanDerWaalsContact O-CG 3.23Å; A661-L665 WeakPolarHBondContact O-CG 3.48Å; A661-L665 PolarHBondContact O-N 3Å |
| 662 | L | 75.9 | Confident | 60.9 | Low | 133 Ų | 133 | 120.7 Ų | 120.7 | 70% | 0.696 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -78.3 | -35 | 173.8 | -64.5 | 179.4 | 0 | 0 | 0 | 112.1 | D659 N660 L665 S666 | D659-L662 PolarHBondContact O-N 3.29Å; D659-L662 VanDerWaalsContact O-N 3.15Å; N660-L662 PolarHBondContact O-N 3.3Å; L662-L665 PolarHBondContact O-N 3.31Å; L662-S666 PolarHBondContact O-N 3.39Å |
| 663 | D | 78.4 | Confident | 61.8 | Low | 106 Ų | 106 | 118.4 Ų | 118.4 | 57% | 0.567 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -68.2 | -44.1 | 177 | -157.9 | 51.5 | 0 | 0 | 0 | 111.2 | N660 L665 S666 D667 | N660-D663 PolarHBondContact O-N 3.05Å; D663-L665 VanDerWaalsContact C-N 3.29Å; D663-L665 PolarHBondContact O-N 2.95Å; D663-S666 CarbonylContact O-C 3.57Å; D663-S666 WeakPolarHBondContact O-CA 3.06Å; D663-S666 VanDerWaalsContact O-CB 3.25Å; D663-S666 WeakPolarHBondContact O-CB 3.12Å; D663-S666 PolarHBondContact O-N 3.21Å; D663-D667 PolarHBondContact O-N 2.86Å |
| 664 | A | 77.9 | Confident | 62.7 | Low | 61 Ų | 61 | 115.7 Ų | 115.7 | 50% | 0.504 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -61.7 | -34 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | N660 T668 | N660-A664 VanDerWaalsContact O-CB 3.3Å; N660-A664 WeakPolarHBondContact O-CB 3.37Å; N660-A664 PolarHBondContact O-N 3.46Å; A664-T668 WeakPolarHBondContact O-CG2 3.49Å; A664-T668 PolarHBondContact O-N 3.42Å |
| 665 | L | 77.8 | Confident | 63.1 | Low | 103 Ų | 103 | 112.5 Ų | 112.5 | 54% | 0.539 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -71.6 | -36 | 171.3 | -75.1 | 170.1 | 0 | 0 | 0 | 111.7 | A661 L662 D663 T668 L669 | A661-L665 WeakPolarHBondContact O-CD1 3.29Å; A661-L665 VanDerWaalsContact O-CG 3.23Å; A661-L665 WeakPolarHBondContact O-CG 3.48Å; A661-L665 PolarHBondContact O-N 3Å; L662-L665 PolarHBondContact O-N 3.31Å; D663-L665 VanDerWaalsContact C-N 3.29Å; D663-L665 PolarHBondContact O-N 2.95Å; L665-T668 PolarHBondContact O-N 2.92Å; L665-T668 PolarHBondContact O-OG1 2.94Å; L665-L669 PolarHBondContact O-N 3.48Å |
| 666 | S | 80.9 | Confident | 63.2 | Low | 74 Ų | 74 | 112.5 Ų | 112.5 | 52% | 0.517 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -61 | -44 | 172.5 | -164.8 | 0 | 0 | 0 | 0 | 111.4 | L662 D663 T668 L669 | L662-S666 PolarHBondContact O-N 3.39Å; D663-S666 CarbonylContact O-C 3.57Å; D663-S666 WeakPolarHBondContact O-CA 3.06Å; D663-S666 VanDerWaalsContact O-CB 3.25Å; D663-S666 WeakPolarHBondContact O-CB 3.12Å; D663-S666 PolarHBondContact O-N 3.21Å; S666-T668 VanDerWaalsContact C-N 3.26Å; S666-T668 PolarHBondContact O-N 2.7Å; S666-L669 CarbonylContact O-C 3.55Å; S666-L669 WeakPolarHBondContact O-CA 3.32Å; S666-L669 WeakPolarHBondContact O-CB 3.5Å; S666-L669 PolarHBondContact O-N 3.12Å |
| 667 | D | 71.6 | Confident | 63.2 | Low | 132 Ų | 132 | 117 Ų | 117 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -67.4 | -22.8 | 177.1 | -113.7 | 11.3 | 0 | 0 | 0 | 113.5 | D663 | D663-D667 PolarHBondContact O-N 2.86Å |
| 668 | T | 71.1 | Confident | 63.1 | Low | 102 Ų | 102 | 116.1 Ų | 116.1 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -75.5 | -22.3 | 166.9 | 64.5 | 0 | 0 | 0 | 0 | 113.5 | A664 L665 S666 K670 | A664-T668 WeakPolarHBondContact O-CG2 3.49Å; A664-T668 PolarHBondContact O-N 3.42Å; L665-T668 PolarHBondContact O-N 2.92Å; L665-T668 PolarHBondContact O-OG1 2.94Å; S666-T668 VanDerWaalsContact C-N 3.26Å; S666-T668 PolarHBondContact O-N 2.7Å; T668-K670 PolarHBondContact O-N 3.22Å |
| 669 | L | 70 | Confident | 63.1 | Low | 141 Ų | 141 | 116.3 Ų | 116.3 | 74% | 0.738 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -92.8 | 61.3 | 176.8 | -71.1 | 172.9 | 0 | 0 | 0 | 111.7 | L665 S666 D671 | L665-L669 PolarHBondContact O-N 3.48Å; S666-L669 CarbonylContact O-C 3.55Å; S666-L669 WeakPolarHBondContact O-CA 3.32Å; S666-L669 WeakPolarHBondContact O-CB 3.5Å; S666-L669 PolarHBondContact O-N 3.12Å; L669-D671 PolarHBondContact O-N 3.09Å |
| 670 | K | 67.3 | Low | 62.9 | Low | 176 Ų | 176 | 116.3 Ų | 116.3 | 77% | 0.765 | 69% | 0.692 | S | S | * | * | | | trans | -53.2 | 132.7 | 177.2 | -65.7 | 177.1 | -179 | 175.2 | 0 | 112.1 | T668 I672 | T668-K670 PolarHBondContact O-N 3.22Å; K670-I672 PolarHBondContact O-N 3.29Å |
| 671 | D | 55.4 | Low | 62.4 | Low | 165 Ų | 165 | 119.1 Ų | 119.1 | 88% | 0.882 | 71% | 0.712 | S | S | * | * | | | trans | -47.6 | 118.9 | 177.5 | -79 | -61.8 | 0 | 0 | 0 | 112.7 | L669 A673 | L669-D671 PolarHBondContact O-N 3.09Å; D671-A673 VanDerWaalsContact C-N 3.31Å; D671-A673 PolarHBondContact O-N 3.12Å |
| 672 | I | 55.7 | Low | 61.2 | Low | 166 Ų | 166 | 122.5 Ų | 122.5 | 85% | 0.851 | 73% | 0.73 | S | S | * | * | | | trans | -80.2 | 84.6 | 175.3 | -55.8 | 178.9 | 0 | 0 | 0 | 108.3 | K670 | K670-I672 PolarHBondContact O-N 3.29Š|
| 673 | A | 58.5 | Low | 60.1 | Low | 78 Ų | 78 | 121.1 Ų | 121.1 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 135.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D671 A675 | D671-A673 VanDerWaalsContact C-N 3.31Å; D671-A673 PolarHBondContact O-N 3.12Å; A673-A675 PolarHBondContact O-N 2.88Å; A673-A675 VanDerWaalsContact O-N 3.11Å |
| 674 | P | 49.9 | Very low | 58.8 | Low | 131 Ų | 131 | 125.8 Ų | 125.8 | 85% | 0.851 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 116.8 | -178.4 | -25.9 | 35 | 0 | 0 | 0 | 112.3 | | |
| 675 | A | 50.8 | Low | 57.1 | Low | 92 Ų | 92 | 129.9 Ų | 129.9 | 76% | 0.76 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 137.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A673 | A673-A675 PolarHBondContact O-N 2.88Å; A673-A675 VanDerWaalsContact O-N 3.11Å |
| 676 | P | 51.7 | Low | 55.6 | Low | 120 Ų | 120 | 129.9 Ų | 129.9 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 143.3 | -179.2 | 28.1 | -34.8 | 0 | 0 | 0 | 112 | | |
| 677 | Q | 47.8 | Very low | 53.9 | Low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 131.8 | 179.8 | -78.7 | -167.5 | -22.2 | 0 | 0 | 112.7 | | |
| 678 | P | 44.3 | Very low | 52.9 | Low | 124 Ų | 124 | 135.4 Ų | 135.4 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 138.1 | 164.6 | -14.6 | 30.5 | 0 | 0 | 0 | 111.9 | | |
| 679 | A | 52.4 | Low | 52.1 | Low | 85 Ų | 85 | 139.7 Ų | 139.7 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 154.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 680 | P | 51.2 | Low | 51.7 | Low | 130 Ų | 130 | 142.5 Ų | 142.5 | 84% | 0.844 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 146.4 | -171.9 | 30.7 | -36 | 0 | 0 | 0 | 113.8 | | |
| 681 | V | 48.8 | Very low | 51.2 | Low | 139 Ų | 139 | 144.2 Ų | 144.2 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | trans | -140.4 | 156.5 | 175 | -92.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 682 | P | 47.2 | Very low | 50.8 | Low | 125 Ų | 125 | 143.5 Ų | 143.5 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | | | trans | -97.2 | 162.5 | -139.1 | 36.4 | -38.5 | 0 | 0 | 0 | 116.8 | | |
| 683 | A | 53.7 | Low | 50.3 | Low | 103 Ų | 103 | 142 Ų | 142 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | | | trans | -82.4 | 120.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 684 | K | 51.5 | Low | 50.1 | Low | 204 Ų | 204 | 146.5 Ų | 146.5 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | | | trans | -155 | 146.7 | 158.5 | -59.1 | -168.4 | -179.2 | -176.3 | 0 | 105.6 | | |
| 685 | D | 41.7 | Very low | 50.5 | Low | 148 Ų | 148 | 147.9 Ų | 147.9 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | | | cis | -158.1 | 173.5 | 6.7 | -162.4 | 0.4 | 0 | 0 | 0 | 110.3 | | |
| 686 | V | 46.3 | Very low | 51.2 | Low | 102 Ų | 102 | 152.8 Ų | 152.8 | 62% | 0.618 | 82% | 0.817 | S | S | * | * | | | trans | 60.4 | 103.5 | 162.2 | -163.1 | 0 | 0 | 0 | 0 | 119.8 | | |
| 687 | V | 45.4 | Very low | 51.7 | Low | 139 Ų | 139 | 154.1 Ų | 154.1 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | trans | -131.1 | 138.2 | 130.7 | 179.3 | 0 | 0 | 0 | 0 | 108 | | |
| 688 | K | 49.4 | Very low | 52.7 | Low | 184 Ų | 184 | 150.3 Ų | 150.3 | 80% | 0.8 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 116.6 | 173.8 | -69.9 | 179.7 | -179.8 | 176.2 | 0 | 109.9 | | |
| 689 | E | 55.4 | Low | 54.2 | Low | 192 Ų | 192 | 150.6 Ų | 150.6 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 145.8 | 175.5 | -62.6 | -177.6 | 159.1 | 0 | 0 | 111.5 | | |
| 690 | K | 62.1 | Low | 54.9 | Low | 200 Ų | 200 | 153.8 Ų | 153.8 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 136.2 | 172.7 | -64.2 | 175.5 | -177.1 | 174.6 | 0 | 108 | L692 | K690-L692 PolarHBondContact O-N 2.9Å; K690-L692 VanDerWaalsContact O-N 3.09Å |
| 691 | K | 55.7 | Low | 55.6 | Low | 211 Ų | 211 | 149.6 Ų | 149.6 | 92% | 0.917 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 118.8 | 171.5 | -81.1 | -165.8 | 172.5 | -168.4 | 0 | 109.7 | | |
| 692 | L | 48.2 | Very low | 57 | Low | 151 Ų | 151 | 149.1 Ų | 149.1 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 130.3 | 166.2 | -177.5 | 142.5 | 0 | 0 | 0 | 108.3 | K690 E694 | K690-L692 PolarHBondContact O-N 2.9Å; K690-L692 VanDerWaalsContact O-N 3.09Å; L692-E694 PolarHBondContact O-N 3.28Å |
| 693 | V | 44.2 | Very low | 58.5 | Low | 134 Ų | 134 | 149.8 Ų | 149.8 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 123.4 | 168.6 | 171.6 | 0 | 0 | 0 | 0 | 106.7 | E695 | V693-E695 PolarHBondContact O-N 3.1Š|
| 694 | E | 54.1 | Low | 59.5 | Low | 172 Ų | 172 | 149.4 Ų | 149.4 | 80% | 0.804 | 73% | 0.731 | S | S | * | * | | | trans | -58.5 | 103.8 | -176.1 | -172.9 | 175.1 | -152.2 | 0 | 0 | 110.8 | L692 K696 | L692-E694 PolarHBondContact O-N 3.28Å; E694-K696 PolarHBondContact O-N 2.88Å |
| 695 | E | 58.3 | Low | 60.5 | Low | 161 Ų | 161 | 144.2 Ų | 144.2 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | | | trans | -66.4 | 123 | 174.7 | -172.1 | 179.1 | 161.5 | 0 | 0 | 108.5 | V693 L697 | V693-E695 PolarHBondContact O-N 3.1Å; E695-L697 PolarHBondContact O-N 3.01Å |
| 696 | K | 65.9 | Low | 62.4 | Low | 194 Ų | 194 | 140.6 Ų | 140.6 | 84% | 0.843 | 70% | 0.696 | S | S | * | * | | | trans | -73.6 | 80.9 | -178.9 | -70.4 | -176 | 178.7 | 178.4 | 0 | 110.5 | E694 I698 | E694-K696 PolarHBondContact O-N 2.88Å; K696-I698 PolarHBondContact O-N 2.91Å; K696-I698 VanDerWaalsContact O-N 3.12Å |
| 697 | L | 62.1 | Low | 63.9 | Low | 148 Ų | 148 | 138.5 Ų | 138.5 | 78% | 0.775 | 68% | 0.682 | S | S | * | * | | | trans | -41.1 | 116.3 | 170.9 | -75.2 | 162.7 | 0 | 0 | 0 | 110.1 | E695 K699 | E695-L697 PolarHBondContact O-N 3.01Å; L697-K699 PolarHBondContact O-N 3.2Å |
| 698 | I | 68 | Low | 65.6 | Low | 110 Ų | 110 | 135.5 Ų | 135.5 | 56% | 0.564 | 67% | 0.665 | S | S | * | * | | | trans | -69.6 | 104.1 | -179.3 | -53.8 | 177.7 | 0 | 0 | 0 | 107.5 | K696 M700 | K696-I698 PolarHBondContact O-N 2.91Å; K696-I698 VanDerWaalsContact O-N 3.12Å; I698-M700 HydrophobicContact CB-CE 4.04Å; I698-M700 HydrophobicContact CG2-CE 3.57Å; I698-M700 WeakPolarHBondContact O-CE 3.45Å; I698-M700 PolarHBondContact O-N 3.1Å |
| 699 | K | 77.5 | Confident | 66.8 | Low | 130 Ų | 130 | 131.7 Ų | 131.7 | 57% | 0.565 | 66% | 0.659 | S | S | * | * | | | trans | -67.7 | 110 | 179.5 | -48.6 | -170 | -148.7 | 80.1 | 0 | 109 | L697 G701 E702 | L697-K699 PolarHBondContact O-N 3.2Å; K699-G701 PolarHBondContact O-N 3.48Å; K699-E702 HydrophobicContact CB-CB 4.01Å; K699-E702 WeakPolarHBondContact CB-OE2 3.5Å; K699-E702 WeakPolarHBondContact CD-OE2 3.39Å; K699-E702 WeakPolarHBondContact CG-OE2 2.97Å; K699-E702 IonicContact NZ-OE1 2.81Å; K699-E702 PolarHBondContact NZ-OE1 2.73Å; K699-E702 IonicContact NZ-OE2 2.73Å; K699-E702 PolarHBondContact NZ-OE2 3.01Å; K699-E702 WeakPolarHBondContact O-CB 3.14Å; K699-E702 PolarHBondContact O-N 2.99Å; K699-E702 VanDerWaalsContact O-N 3.09Å |
| 700 | M | 65.6 | Low | 67.7 | Low | 152 Ų | 152 | 131.2 Ų | 131.2 | 75% | 0.749 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.5 | 125.4 | 172.2 | -64 | -65.1 | 98 | 0 | 0 | 108.7 | I698 | I698-M700 HydrophobicContact CB-CE 4.04Å; I698-M700 HydrophobicContact CG2-CE 3.57Å; I698-M700 WeakPolarHBondContact O-CE 3.45Å; I698-M700 PolarHBondContact O-N 3.1Å |
| 701 | G | 66.9 | Low | 68 | Low | 43 Ų | 43 | 128.7 Ų | 128.7 | 44% | 0.443 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 96.9 | -5.5 | -174 | 0 | 0 | 0 | 0 | 0 | 116.1 | K699 R703 | K699-G701 PolarHBondContact O-N 3.48Å; G701-R703 VanDerWaalsContact C-N 3.28Å; G701-R703 PolarHBondContact O-N 3.33Å |
| 702 | E | 77.5 | Confident | 69.2 | Low | 128 Ų | 128 | 124.3 Ų | 124.3 | 60% | 0.598 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -78.6 | -8.3 | 176.2 | -175.4 | 167 | -157.2 | 0 | 0 | 113.7 | K699 | K699-E702 HydrophobicContact CB-CB 4.01Å; K699-E702 WeakPolarHBondContact CB-OE2 3.5Å; K699-E702 WeakPolarHBondContact CD-OE2 3.39Å; K699-E702 WeakPolarHBondContact CG-OE2 2.97Å; K699-E702 IonicContact NZ-OE1 2.81Å; K699-E702 PolarHBondContact NZ-OE1 2.73Å; K699-E702 IonicContact NZ-OE2 2.73Å; K699-E702 PolarHBondContact NZ-OE2 3.01Å; K699-E702 WeakPolarHBondContact O-CB 3.14Å; K699-E702 PolarHBondContact O-N 2.99Å; K699-E702 VanDerWaalsContact O-N 3.09Å |
| 703 | R | 78.6 | Confident | 70.6 | Confident | 139 Ų | 139 | 119 Ų | 119 | 53% | 0.525 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -107.9 | 138.4 | 175.5 | -66.5 | -172.4 | -179.1 | 99.5 | 0.9 | 111.3 | G701 D705 T706 | G701-R703 VanDerWaalsContact C-N 3.28Å; G701-R703 PolarHBondContact O-N 3.33Å; R703-D705 WeakPolarHBondContact CB-OD1 3.03Å; R703-D705 PolarHBondContact O-N 3.29Å; R703-D705 VanDerWaalsContact O-N 3.12Å; R703-T706 WeakPolarHBondContact O-CB 3.13Å; R703-T706 PolarHBondContact O-N 3.37Å; R703-T706 PolarHBondContact O-OG1 3.49Å |
| 704 | D | 74.4 | Confident | 71.9 | Confident | 95 Ų | 95 | 116.9 Ų | 116.9 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | G | 310 helix | trans | -59.2 | -23.4 | 177.5 | -67 | -54.1 | 0 | 0 | 0 | 113.2 | T706 L707 | D704-T706 PolarHBondContact O-N 3.26Å; D704-L707 PolarHBondContact O-N 3.36Å |
| 705 | D | 73.6 | Confident | 72.6 | Confident | 95 Ų | 95 | 116.9 Ų | 116.9 | 51% | 0.508 | 58% | 0.583 | S | S | . | * | G | 310 helix | trans | -67.7 | -23.4 | 173.4 | 59.3 | 23.8 | 0 | 0 | 0 | 113.5 | R703 L707 R712 | R703-D705 WeakPolarHBondContact CB-OD1 3.03Å; R703-D705 PolarHBondContact O-N 3.29Å; R703-D705 VanDerWaalsContact O-N 3.12Å; D705-L707 VanDerWaalsContact C-N 3.31Å; D705-R712 PolarHBondContact O-NH2 3.1Å |
| 706 | T | 81.3 | Confident | 73.1 | Confident | 72 Ų | 72 | 115.7 Ų | 115.7 | 44% | 0.442 | 58% | 0.578 | S | S | . | * | G | 310 helix | trans | -85.3 | -11.6 | -178.3 | -46.3 | 0 | 0 | 0 | 0 | 111.1 | R703 D704 | R703-T706 WeakPolarHBondContact O-CB 3.13Å; R703-T706 PolarHBondContact O-N 3.37Å; R703-T706 PolarHBondContact O-OG1 3.49Å; D704-T706 PolarHBondContact O-N 3.26Å |
| 707 | L | 78.1 | Confident | 73.3 | Confident | 59 Ų | 59 | 110 Ų | 110 | 31% | 0.309 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -73.9 | 144.4 | 170.2 | -61.5 | 175.7 | 0 | 0 | 0 | 111 | D704 D705 F711 R712 | D704-L707 PolarHBondContact O-N 3.36Å; D705-L707 VanDerWaalsContact C-N 3.31Å; L707-F711 HydrophobicContact CB-CB 4.49Å; L707-R712 HydrophobicContact CB-CG 4.2Å; L707-R712 PolarHBondContact O-NE 3.15Å |
| 708 | P | 80.1 | Confident | 73.5 | Confident | 75 Ų | 75 | 106.7 Ų | 106.7 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | | | trans | -55.9 | 148.1 | 172.3 | -21.7 | 31.7 | 0 | 0 | 0 | 111.1 | E710 F711 R712 | P708-E710 PolarHBondContact O-N 3.19Å; P708-F711 HydrophobicContact CB-CD2 4.27Å; P708-F711 HydrophobicContact CG-CD2 4.4Å; P708-F711 PolarHBondContact O-N 3Å; P708-R712 PolarHBondContact O-N 3.37Å |
| 709 | P | 75.1 | Confident | 73.4 | Confident | 105 Ų | 105 | 107.7 Ų | 107.7 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -52.7 | -32 | -173.9 | -29.5 | 36.3 | 0 | 0 | 0 | 115.2 | F711 | P709-F711 VanDerWaalsContact C-N 3.3Å; P709-F711 PolarHBondContact O-N 3.18Å |
| 710 | E | 74.3 | Confident | 72.8 | Confident | 182 Ų | 182 | 108.4 Ų | 108.4 | 85% | 0.85 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -71.3 | -20.3 | 178.7 | -59.9 | 177.3 | 174.1 | 0 | 0 | 113.8 | P708 | P708-E710 PolarHBondContact O-N 3.19Š|
| 711 | F | 68.3 | Low | 72.3 | Confident | 146 Ų | 146 | 107.3 Ų | 107.3 | 64% | 0.64 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -109.4 | 0.3 | -178.5 | -70.6 | -88.9 | 0 | 0 | 0 | 113.5 | L707 P708 P709 P713 | L707-F711 HydrophobicContact CB-CB 4.49Å; P708-F711 HydrophobicContact CB-CD2 4.27Å; P708-F711 HydrophobicContact CG-CD2 4.4Å; P708-F711 PolarHBondContact O-N 3Å; P709-F711 VanDerWaalsContact C-N 3.3Å; P709-F711 PolarHBondContact O-N 3.18Å; F711-P713 WeakPolarHBondContact O-CD 3.24Å |
| 712 | R | 81.5 | Confident | 71.3 | Confident | 120 Ų | 120 | 110.5 Ų | 110.5 | 45% | 0.453 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -71.2 | 123.8 | 175.3 | -65.4 | -173.4 | -178.9 | 171.1 | -3.3 | 109.5 | D705 L707 P708 T714 | D705-R712 PolarHBondContact O-NH2 3.1Å; L707-R712 HydrophobicContact CB-CG 4.2Å; L707-R712 PolarHBondContact O-NE 3.15Å; P708-R712 PolarHBondContact O-N 3.37Å; R712-T714 PolarHBondContact O-N 3.02Å; R712-T714 VanDerWaalsContact O-N 3.1Å |
| 713 | P | 78.3 | Confident | 69.7 | Low | 39 Ų | 39 | 111.3 Ų | 111.3 | 25% | 0.253 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 119.2 | -178.8 | -26.9 | 35.1 | 0 | 0 | 0 | 111.5 | F711 L718 | F711-P713 WeakPolarHBondContact O-CD 3.24Å; P713-L718 HydrophobicContact CB-CD1 4.24Å; P713-L718 HydrophobicContact CB-CG 4.31Å |
| 714 | T | 71.3 | Confident | 67.9 | Low | 90 Ų | 90 | 112 Ų | 112 | 55% | 0.552 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 156.9 | 179.2 | 67.3 | 0 | 0 | 0 | 0 | 110.3 | R712 E716 D717 L718 | R712-T714 PolarHBondContact O-N 3.02Å; R712-T714 VanDerWaalsContact O-N 3.1Å; T714-E716 PolarHBondContact O-N 3.24Å; T714-E716 VanDerWaalsContact O-N 3.12Å; T714-D717 PolarHBondContact O-N 3.32Å; T714-L718 PolarHBondContact O-N 2.7Å; T714-L718 VanDerWaalsContact O-N 3.12Å |
| 715 | K | 68.2 | Low | 66.2 | Low | 172 Ų | 172 | 117.2 Ų | 117.2 | 75% | 0.748 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -34 | -177.8 | -169.1 | 174.2 | -179.6 | -179.3 | 0 | 112.4 | E719 | K715-E719 WeakPolarHBondContact O-CG 3.46Å; K715-E719 PolarHBondContact O-N 3.32Å |
| 716 | E | 67.7 | Low | 64.2 | Low | 136 Ų | 136 | 117.6 Ų | 117.6 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | -28.1 | 176.5 | -62.3 | -177.4 | 102.7 | 0 | 0 | 113.7 | T714 E719 K720 | T714-E716 PolarHBondContact O-N 3.24Å; T714-E716 VanDerWaalsContact O-N 3.12Å; E716-E719 PolarHBondContact O-N 3.33Å; E716-K720 VanDerWaalsContact O-CD 3.28Å; E716-K720 WeakPolarHBondContact O-CD 3.38Å; E716-K720 WeakPolarHBondContact O-CE 3.37Å; E716-K720 VanDerWaalsContact O-CG 3.22Å; E716-K720 WeakPolarHBondContact O-CG 3.04Å; E716-K720 PolarHBondContact O-N 2.93Å; E716-K720 VanDerWaalsContact O-N 3.14Å |
| 717 | D | 70.3 | Confident | 62.2 | Low | 75 Ų | 75 | 119.2 Ų | 119.2 | 40% | 0.401 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -77.4 | -36.4 | 176.5 | -164.8 | 61.5 | 0 | 0 | 0 | 111.4 | T714 E719 K720 R721 | T714-D717 PolarHBondContact O-N 3.32Å; D717-E719 PolarHBondContact O-N 2.78Å; D717-K720 PolarHBondContact O-N 2.85Å; D717-K720 VanDerWaalsContact O-N 3.09Å; D717-R721 PolarHBondContact O-N 3.29Å; D717-R721 VanDerWaalsContact O-N 3.15Å |
| 718 | L | 66.8 | Low | 60.3 | Low | 78 Ų | 78 | 120.6 Ų | 120.6 | 41% | 0.408 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.3 | -13.6 | 167.7 | -90.1 | 157.8 | 0 | 0 | 0 | 114.5 | P713 T714 K723 | P713-L718 HydrophobicContact CB-CD1 4.24Å; P713-L718 HydrophobicContact CB-CG 4.31Å; T714-L718 PolarHBondContact O-N 2.7Å; T714-L718 VanDerWaalsContact O-N 3.12Å; L718-K723 WeakPolarHBondContact O-CE 3.43Å |
| 719 | E | 65.8 | Low | 58.3 | Low | 130 Ų | 130 | 126.6 Ų | 126.6 | 61% | 0.607 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -104 | -10.2 | 170.3 | -57.7 | -149.6 | 128.2 | 0 | 0 | 113.8 | K715 E716 D717 K723 | K715-E719 WeakPolarHBondContact O-CG 3.46Å; K715-E719 PolarHBondContact O-N 3.32Å; E716-E719 PolarHBondContact O-N 3.33Å; D717-E719 PolarHBondContact O-N 2.78Å; E719-K723 IonicContact OE1-NZ 2.78Å; E719-K723 PolarHBondContact OE1-NZ 3.25Å; E719-K723 VanDerWaalsContact OE1-NZ 3.07Å |
| 720 | K | 65.7 | Low | 56.1 | Low | 146 Ų | 146 | 129.4 Ų | 129.4 | 64% | 0.635 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -86.9 | -19.4 | 170.7 | -71.9 | 159.4 | -165.4 | 165.2 | 0 | 112.9 | E716 D717 | E716-K720 VanDerWaalsContact O-CD 3.28Å; E716-K720 WeakPolarHBondContact O-CD 3.38Å; E716-K720 WeakPolarHBondContact O-CE 3.37Å; E716-K720 VanDerWaalsContact O-CG 3.22Å; E716-K720 WeakPolarHBondContact O-CG 3.04Å; E716-K720 PolarHBondContact O-N 2.93Å; E716-K720 VanDerWaalsContact O-N 3.14Å; D717-K720 PolarHBondContact O-N 2.85Å; D717-K720 VanDerWaalsContact O-N 3.09Å |
| 721 | R | 54.2 | Low | 54.3 | Low | 128 Ų | 128 | 129.9 Ų | 129.9 | 48% | 0.483 | 66% | 0.662 | S | S | . | * | S | Bend | trans | -74 | 130.9 | 166.8 | -72.2 | -169 | -83.1 | 176.8 | -4.9 | 110.8 | D717 K723 | D717-R721 PolarHBondContact O-N 3.29Å; D717-R721 VanDerWaalsContact O-N 3.15Å; R721-K723 PolarHBondContact O-N 3.23Å |
| 722 | P | 46.7 | Very low | 52.8 | Low | 110 Ų | 110 | 129.9 Ų | 129.9 | 71% | 0.714 | 66% | 0.664 | S | S | * | * | | | trans | -66.2 | 124.1 | -176.4 | 26 | -33.8 | 0 | 0 | 0 | 111.9 | D724 | P722-D724 VanDerWaalsContact C-N 3.35Å; P722-D724 PolarHBondContact O-N 3.44Å |
| 723 | K | 44.6 | Very low | 50.9 | Low | 146 Ų | 146 | 130.4 Ų | 130.4 | 64% | 0.635 | 68% | 0.682 | S | S | * | * | | | trans | -89.2 | 66.8 | 177.6 | -67.4 | 172.8 | -175.5 | 165.2 | 0 | 110.6 | L718 E719 R721 K725 | L718-K723 WeakPolarHBondContact O-CE 3.43Å; E719-K723 IonicContact OE1-NZ 2.78Å; E719-K723 PolarHBondContact OE1-NZ 3.25Å; E719-K723 VanDerWaalsContact OE1-NZ 3.07Å; R721-K723 PolarHBondContact O-N 3.23Å; K723-K725 PolarHBondContact O-N 2.93Å; K723-K725 VanDerWaalsContact O-N 3.16Å |
| 724 | D | 39.5 | Very low | 48.9 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | | | trans | -66.3 | 110.5 | 178.5 | -74.5 | -34.6 | 0 | 0 | 0 | 111.5 | P722 | P722-D724 VanDerWaalsContact C-N 3.35Å; P722-D724 PolarHBondContact O-N 3.44Å |
| 725 | K | 38.5 | Very low | 47.8 | Very low | 206 Ų | 206 | 138.4 Ų | 138.4 | 90% | 0.896 | 71% | 0.713 | S | S | * | * | | | trans | -147.5 | 57.3 | -178.1 | -154.8 | -179.1 | -175.7 | 179.4 | 0 | 115 | K723 | K723-K725 PolarHBondContact O-N 2.93Å; K723-K725 VanDerWaalsContact O-N 3.16Å |
| 726 | A | 32.3 | Very low | 47.1 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -159.2 | 148.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 727 | A | 39.5 | Very low | 46.6 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 88% | 0.884 | 72% | 0.722 | S | S | * | * | | | trans | -87.2 | 117.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 728 | A | 37.5 | Very low | 46.8 | Very low | 87 Ų | 87 | 140 Ų | 140 | 72% | 0.719 | 73% | 0.731 | S | S | * | * | | | trans | -178.4 | 124.6 | 139.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 729 | K | 37.6 | Very low | 47.6 | Very low | 202 Ų | 202 | 141 Ų | 141 | 88% | 0.878 | 74% | 0.737 | S | S | * | * | | | trans | 57.8 | 97 | 155 | -57.1 | 175.8 | -179 | 177.5 | 0 | 118.8 | | |
| 730 | L | 30.3 | Very low | 48.5 | Very low | 164 Ų | 164 | 140.8 Ų | 140.8 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | | | | -163.9 | 117.5 | 118 | -109.7 | 163.8 | 0 | 0 | 0 | 114 | | |
| 731 | K | 35.6 | Very low | 49.3 | Very low | 192 Ų | 192 | 140.4 Ų | 140.4 | 84% | 0.835 | 74% | 0.74 | S | S | * | * | | | trans | 5.8 | 131.2 | 162.7 | -62.7 | 177.3 | 179 | -176.9 | 0 | 121.1 | | |
| 732 | E | 37.3 | Very low | 50.7 | Low | 146 Ų | 146 | 137.3 Ų | 137.3 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | | | trans | -55.4 | 170 | 161.6 | -49.8 | 166.5 | 113.3 | 0 | 0 | 114.6 | L734 | E732-L734 WeakPolarHBondContact OE1-CD1 3.37Š|
| 733 | P | 40.8 | Very low | 52.5 | Low | 131 Ų | 131 | 133.8 Ų | 133.8 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | | | | -110.1 | 114.1 | 112.7 | 31.3 | -33.5 | 0 | 0 | 0 | 112.4 | Q735 | P733-Q735 PolarHBondContact O-N 2.91Š|
| 734 | L | 36.6 | Very low | 54.4 | Low | 111 Ų | 111 | 131.2 Ų | 131.2 | 58% | 0.581 | 71% | 0.708 | S | S | * | * | | | trans | -64.6 | 114 | 177.9 | 179 | 73.5 | 0 | 0 | 0 | 110.8 | E732 K736 | E732-L734 WeakPolarHBondContact OE1-CD1 3.37Å; L734-K736 PolarHBondContact O-N 2.81Å |
| 735 | Q | 48.6 | Very low | 56.4 | Low | 186 Ų | 186 | 129.7 Ų | 129.7 | 87% | 0.869 | 70% | 0.7 | S | S | * | * | | | trans | -67.2 | 118.2 | 152.2 | -82.1 | -170.4 | -32.5 | 0 | 0 | 107.2 | P733 S737 | P733-Q735 PolarHBondContact O-N 2.91Å; Q735-S737 PolarHBondContact O-N 3.12Å |
| 736 | K | 53.1 | Low | 58.7 | Low | 192 Ų | 192 | 125.4 Ų | 125.4 | 84% | 0.835 | 69% | 0.686 | S | S | * | * | | | trans | -65.8 | 105.9 | 178.2 | -64.2 | 178.9 | -177.7 | 178.9 | 0 | 108.9 | L734 M738 | L734-K736 PolarHBondContact O-N 2.81Å; K736-M738 PolarHBondContact O-N 3.12Å |
| 737 | S | 57.7 | Low | 61.1 | Low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 133.3 | 159.7 | 48.4 | 0 | 0 | 0 | 0 | 108.7 | Q735 | Q735-S737 PolarHBondContact O-N 3.12Š|
| 738 | M | 74.6 | Confident | 63 | Low | 119 Ų | 119 | 124.1 Ų | 124.1 | 59% | 0.586 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 138.4 | 166.9 | -162.2 | 72.6 | 156.3 | 0 | 0 | 108.1 | K736 L746 | K736-M738 PolarHBondContact O-N 3.12Å; M738-L746 HydrophobicContact CE-CD1 3.5Å; M738-L746 VanDerWaalsContact CE-CD1 3.5Å |
| 739 | D | 84.2 | Confident | 64.8 | Low | 100 Ų | 100 | 122.9 Ų | 122.9 | 54% | 0.535 | 65% | 0.651 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 136.9 | 174.3 | -169.4 | -61.3 | 0 | 0 | 0 | 108.6 | Q741 T742 A743 | D739-Q741 PolarHBondContact O-N 2.92Å; D739-Q741 VanDerWaalsContact O-N 3.14Å; D739-Q741 WeakPolarHBondContact OD1-CB 3.15Å; D739-Q741 PolarHBondContact OD1-N 2.72Å; D739-T742 WeakPolarHBondContact CB-OG1 3.17Å; D739-T742 PolarHBondContact N-OG1 3.44Å; D739-T742 CarbonylContact O-C 3.59Å; D739-T742 WeakPolarHBondContact O-CA 3.08Å; D739-T742 PolarHBondContact O-N 3.28Å; D739-T742 PolarHBondContact O-OG1 3.3Å; D739-A743 PolarHBondContact O-N 3.3Å |
| 740 | D | 83.4 | Confident | 66.6 | Low | 124 Ų | 124 | 120.3 Ų | 120.3 | 66% | 0.663 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -57.3 | -29.5 | -179.8 | -67.8 | -44.9 | 0 | 0 | 0 | 111.8 | A743 L744 | D740-A743 PolarHBondContact O-N 3.06Å; D740-L744 WeakPolarHBondContact O-CB 3.13Å; D740-L744 VanDerWaalsContact O-CG 3.25Å; D740-L744 WeakPolarHBondContact O-CG 3.17Å; D740-L744 PolarHBondContact O-N 3.36Å |
| 741 | Q | 83.9 | Confident | 68.3 | Low | 138 Ų | 138 | 120.7 Ų | 120.7 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.1 | -40.8 | 172.2 | -62.6 | -58.5 | -81.5 | 0 | 0 | 112.2 | D739 A743 L744 D745 | D739-Q741 PolarHBondContact O-N 2.92Å; D739-Q741 VanDerWaalsContact O-N 3.14Å; D739-Q741 WeakPolarHBondContact OD1-CB 3.15Å; D739-Q741 PolarHBondContact OD1-N 2.72Å; Q741-A743 VanDerWaalsContact C-N 3.34Å; Q741-L744 PolarHBondContact O-N 2.97Å; Q741-D745 WeakPolarHBondContact O-CB 3.5Å; Q741-D745 PolarHBondContact O-N 3.27Å |
| 742 | T | 81.8 | Confident | 69.2 | Low | 64 Ų | 64 | 116.7 Ų | 116.7 | 39% | 0.393 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -70.4 | -27.7 | 173.2 | 43 | 0 | 0 | 0 | 0 | 113.4 | D739 L746 | D739-T742 WeakPolarHBondContact CB-OG1 3.17Å; D739-T742 PolarHBondContact N-OG1 3.44Å; D739-T742 CarbonylContact O-C 3.59Å; D739-T742 WeakPolarHBondContact O-CA 3.08Å; D739-T742 PolarHBondContact O-N 3.28Å; D739-T742 PolarHBondContact O-OG1 3.3Å; T742-L746 WeakPolarHBondContact O-CG 3.28Å; T742-L746 PolarHBondContact O-N 3.46Å |
| 743 | A | 84.5 | Confident | 69.7 | Low | 35 Ų | 35 | 115.5 Ų | 115.5 | 29% | 0.289 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -70.5 | -42.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D739 D740 Q741 L747 | D739-A743 PolarHBondContact O-N 3.3Å; D740-A743 PolarHBondContact O-N 3.06Å; Q741-A743 VanDerWaalsContact C-N 3.34Å; A743-L747 WeakPolarHBondContact O-CB 3.46Å; A743-L747 WeakPolarHBondContact O-CG 3.22Å; A743-L747 PolarHBondContact O-N 3.15Å; A743-L747 VanDerWaalsContact O-N 3.09Å |
| 744 | L | 84.6 | Confident | 69.9 | Low | 93 Ų | 93 | 114.6 Ų | 114.6 | 49% | 0.487 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.4 | -32.4 | 178.1 | -72 | 170.4 | 0 | 0 | 0 | 113.4 | D740 Q741 L747 S748 | D740-L744 WeakPolarHBondContact O-CB 3.13Å; D740-L744 VanDerWaalsContact O-CG 3.25Å; D740-L744 WeakPolarHBondContact O-CG 3.17Å; D740-L744 PolarHBondContact O-N 3.36Å; Q741-L744 PolarHBondContact O-N 2.97Å; L744-L747 PolarHBondContact O-N 3.09Å; L744-S748 VanDerWaalsContact O-CB 3.26Å; L744-S748 WeakPolarHBondContact O-CB 3.42Å; L744-S748 PolarHBondContact O-N 3.22Å; L744-S748 PolarHBondContact O-OG 3.3Å |
| 745 | D | 83.1 | Confident | 70 | Confident | 119 Ų | 119 | 117 Ų | 117 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -65.6 | -47.8 | 174.7 | -172.1 | 58.1 | 0 | 0 | 0 | 111.2 | Q741 L747 S748 G749 | Q741-D745 WeakPolarHBondContact O-CB 3.5Å; Q741-D745 PolarHBondContact O-N 3.27Å; D745-L747 VanDerWaalsContact C-N 3.3Å; D745-L747 PolarHBondContact O-N 3.14Å; D745-S748 PolarHBondContact O-N 3.41Å; D745-G749 PolarHBondContact O-N 3.33Å |
| 746 | L | 86.3 | Confident | 69.2 | Low | 116 Ų | 116 | 117 Ų | 117 | 61% | 0.607 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -58.9 | -39.6 | 173 | -72.2 | 172.4 | 0 | 0 | 0 | 112.4 | M738 T742 | M738-L746 HydrophobicContact CE-CD1 3.5Å; M738-L746 VanDerWaalsContact CE-CD1 3.5Å; T742-L746 WeakPolarHBondContact O-CG 3.28Å; T742-L746 PolarHBondContact O-N 3.46Å |
| 747 | L | 82 | Confident | 68.1 | Low | 109 Ų | 109 | 111.9 Ų | 111.9 | 57% | 0.571 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -72.8 | -24.6 | 174.6 | -74.3 | 166.9 | 0 | 0 | 0 | 113.5 | A743 L744 D745 F751 | A743-L747 WeakPolarHBondContact O-CB 3.46Å; A743-L747 WeakPolarHBondContact O-CG 3.22Å; A743-L747 PolarHBondContact O-N 3.15Å; A743-L747 VanDerWaalsContact O-N 3.09Å; L744-L747 PolarHBondContact O-N 3.09Å; D745-L747 VanDerWaalsContact C-N 3.3Å; D745-L747 PolarHBondContact O-N 3.14Å; L747-F751 WeakPolarHBondContact O-CD2 3.36Å |
| 748 | S | 79.3 | Confident | 66.8 | Low | 74 Ų | 74 | 112.8 Ų | 112.8 | 52% | 0.517 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -82.6 | -28.1 | -179.9 | -62 | 0 | 0 | 0 | 0 | 112.5 | L744 D745 D750 F751 | L744-S748 VanDerWaalsContact O-CB 3.26Å; L744-S748 WeakPolarHBondContact O-CB 3.42Å; L744-S748 PolarHBondContact O-N 3.22Å; L744-S748 PolarHBondContact O-OG 3.3Å; D745-S748 PolarHBondContact O-N 3.41Å; S748-D750 VanDerWaalsContact C-N 3.31Å; S748-D750 PolarHBondContact O-N 3.21Å; S748-F751 PolarHBondContact O-N 3.16Å |
| 749 | G | 75 | Confident | 64.7 | Low | 60 Ų | 60 | 111.1 Ų | 111.1 | 62% | 0.619 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58.7 | -38 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D745 F751 | D745-G749 PolarHBondContact O-N 3.33Å; G749-F751 VanDerWaalsContact C-N 3.3Å; G749-F751 PolarHBondContact O-N 3.07Å |
| 750 | D | 75.2 | Confident | 62.8 | Low | 148 Ų | 148 | 111.7 Ų | 111.7 | 79% | 0.791 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -11.8 | -178.1 | -89.1 | -19 | 0 | 0 | 0 | 114.5 | S748 | S748-D750 VanDerWaalsContact C-N 3.31Å; S748-D750 PolarHBondContact O-N 3.21Å |
| 751 | F | 66.5 | Low | 60.1 | Low | 173 Ų | 173 | 112 Ų | 112 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | 0.2 | -173.5 | -74.6 | -90.9 | 0 | 0 | 0 | 115.1 | L747 S748 G749 T753 | L747-F751 WeakPolarHBondContact O-CD2 3.36Å; S748-F751 PolarHBondContact O-N 3.16Å; G749-F751 VanDerWaalsContact C-N 3.3Å; G749-F751 PolarHBondContact O-N 3.07Å; F751-T753 PolarHBondContact O-N 3.23Å |
| 752 | S | 54.8 | Low | 57.9 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -96.5 | 86.5 | -179.1 | -135 | 0 | 0 | 0 | 0 | 113.7 | | |
| 753 | T | 47.1 | Very low | 55.3 | Low | 121 Ų | 121 | 113.8 Ų | 113.8 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | | | trans | -37.4 | 170.7 | 167.3 | 60.7 | 0 | 0 | 0 | 0 | 118 | F751 | F751-T753 PolarHBondContact O-N 3.23Š|
| 754 | P | 45.3 | Very low | 52.5 | Low | 113 Ų | 113 | 116.7 Ų | 116.7 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | | | cis | -143.7 | 173.1 | -43.3 | 42 | -25.2 | 0 | 0 | 0 | 114.8 | | |
| 755 | D | 38.5 | Very low | 49.7 | Very low | 161 Ų | 161 | 117.9 Ų | 117.9 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | | | trans | 54.9 | 152.2 | 146.8 | -118.1 | -33.8 | 0 | 0 | 0 | 125.6 | | |
| 756 | Q | 33.5 | Very low | 46.9 | Very low | 186 Ų | 186 | 118.5 Ų | 118.5 | 87% | 0.869 | 74% | 0.738 | S | S | * | * | | | trans | 98 | 113.7 | 163.6 | -152.7 | 178.3 | 22.2 | 0 | 0 | 118.5 | | |
| 757 | A | 29.6 | Very low | 44.2 | Very low | 85 Ų | 85 | 121.5 Ų | 121.5 | 70% | 0.702 | 75% | 0.746 | S | S | * | * | | | cis | -163.7 | 149.7 | -17.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 758 | S | 29.3 | Very low | 41.6 | Very low | 124 Ų | 124 | 124.2 Ų | 124.2 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | | | | -172.5 | 144.1 | 125.4 | -156.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 759 | A | 30.8 | Very low | 39.2 | Very low | 84 Ų | 84 | 129.2 Ų | 129.2 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | | | trans | -142.6 | 177.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 760 | P | 44.8 | Very low | 38.5 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | cis | -140.6 | -176.6 | 6.1 | 34.2 | -10.1 | 0 | 0 | 0 | 116 | | |
| 761 | V | 27.3 | Very low | 37.6 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 79% | 0.788 | 77% | 0.774 | S | S | * | * | | | trans | 47 | 120.9 | 155.7 | -65.8 | 0 | 0 | 0 | 0 | 123.7 | | |
| 762 | S | 36.1 | Very low | 35.8 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | | 28 | 137.5 | 128.7 | -61.4 | 0 | 0 | 0 | 0 | 124.8 | | |
| 763 | T | 26.8 | Very low | 34.6 | Very low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 78% | 0.78 | S | S | * | * | | | trans | 85.3 | 114.2 | 142.5 | 46.4 | 0 | 0 | 0 | 0 | 123.3 | | |
| 764 | A | 27.1 | Very low | 34.5 | Very low | 97 Ų | 97 | 129.4 Ų | 129.4 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | 71.9 | 154.5 | 151 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 765 | T | 25 | Very low | 33.7 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 72% | 0.718 | 79% | 0.785 | S | S | * | * | | | cis | -151.5 | 156 | 19.6 | 41.6 | 0 | 0 | 0 | 0 | 113.4 | | |
| 766 | T | 25.5 | Very low | 33.2 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 82% | 0.816 | 78% | 0.783 | S | S | * | * | | | trans | 60.4 | 155.6 | 151.5 | 47.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 767 | K | 28.5 | Very low | 33 | Very low | 179 Ų | 179 | 125.2 Ų | 125.2 | 78% | 0.778 | 78% | 0.778 | S | S | * | * | | | cis | -174.2 | 128.3 | -15.2 | 164 | -166.9 | 174 | -174.9 | 0 | 109.7 | | |
| 768 | L | 26.7 | Very low | 34.1 | Very low | 165 Ų | 165 | 126.9 Ų | 126.9 | 86% | 0.864 | 78% | 0.782 | S | S | * | * | | | trans | 179.4 | -179.6 | 138.7 | -101.7 | 167.6 | 0 | 0 | 0 | 112.9 | | |
| 769 | E | 30.6 | Very low | 34.1 | Very low | 179 Ų | 179 | 125.3 Ų | 125.3 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | trans | -111.6 | 180 | -153.5 | -104.8 | -156.9 | 81.3 | 0 | 0 | 116.2 | | |
| 770 | P | 59.8 | Low | 34.4 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | | | trans | -120.8 | -128.9 | -144.2 | 48.5 | -32.4 | 0 | 0 | 0 | 111.5 | | |
| 771 | P | 55.3 | Low | 33.6 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | cis | -97.3 | -159.6 | -2.6 | 15.1 | 10.9 | 0 | 0 | 0 | 111.5 | | |
| 772 | V | 28.8 | Very low | 33.9 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | | | cis | -147.9 | -175.3 | 15.6 | -143.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 773 | L | 30.8 | Very low | 34.1 | Very low | 157 Ų | 157 | 134 Ų | 134 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -130.2 | -171.3 | 179.5 | -63.1 | 170.7 | 0 | 0 | 0 | 108.9 | | |
| 774 | P | 43.5 | Very low | 34.3 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | | | cis | -142.4 | 179.2 | 0.3 | 39.3 | -18.4 | 0 | 0 | 0 | 118.4 | | |
| 775 | M | 29.2 | Very low | 34.4 | Very low | 180 Ų | 180 | 134.9 Ų | 134.9 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | trans | 98.8 | 126.6 | 131.3 | -106.5 | 178.2 | 171.7 | 0 | 0 | 124.6 | | |
| 776 | A | 28.1 | Very low | 34.8 | Very low | 99 Ų | 99 | 135.4 Ų | 135.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | 82.9 | 144.6 | 135.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 777 | A | 29.4 | Very low | 35.2 | Very low | 93 Ų | 93 | 137.4 Ų | 137.4 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | | | trans | -140.1 | -170.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 778 | P | 52.4 | Low | 35.6 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 81% | 0.808 | S | S | * | * | | | cis | -130 | -157.4 | -9.2 | 42.8 | -24.6 | 0 | 0 | 0 | 112.5 | | |
| 779 | A | 30.6 | Very low | 36.2 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | | | trans | 67.4 | 140 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 780 | L | 36.3 | Very low | 36.1 | Very low | 175 Ų | 175 | 132.5 Ų | 132.5 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | | | cis | 69.8 | 92.4 | 25.4 | -61.7 | -175.6 | 0 | 0 | 0 | 116.3 | | |
| 781 | D | 28.6 | Very low | 34.6 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | -155.1 | 169.7 | 156.3 | -150.2 | -21.8 | 0 | 0 | 0 | 110.6 | | |
| 782 | S | 33 | Very low | 33.5 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 81% | 0.808 | S | S | * | * | | | trans | 69 | 92 | 170.6 | -57.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 783 | L | 39.4 | Very low | 33.5 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | | | trans | -85.1 | 174.5 | 140.1 | -77.3 | 169.6 | 0 | 0 | 0 | 109.8 | | |
| 784 | A | 31.1 | Very low | 33.4 | Very low | 90 Ų | 90 | 134.2 Ų | 134.2 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | | | trans | 71.7 | 145.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 785 | D | 29.8 | Very low | 32.7 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | | | cis | -127.9 | 162.8 | 24.6 | -110.9 | -43.4 | 0 | 0 | 0 | 115.5 | | |
| 786 | T | 34.6 | Very low | 32.8 | Very low | 128 Ų | 128 | 135.3 Ų | 135.3 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | -119.6 | 108.1 | -179.3 | 52.4 | 0 | 0 | 0 | 0 | 113.4 | | |
| 787 | L | 31.9 | Very low | 32.8 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | | | trans | -142 | 136.2 | 161.1 | -74.2 | 179.4 | 0 | 0 | 0 | 111 | | |
| 788 | T | 37 | Very low | 32.8 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | | | trans | -122.4 | 155.3 | 167.1 | 60.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 789 | P | 40.1 | Very low | 31.7 | Very low | 122 Ų | 122 | 142.3 Ų | 142.3 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | | | | -148.8 | 138.3 | 93.9 | 35.4 | -17.2 | 0 | 0 | 0 | 116.8 | | |
| 790 | D | 28.1 | Very low | 31.8 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | | | trans | 63.3 | 168.1 | 145.4 | -137 | -18.5 | 0 | 0 | 0 | 121.7 | | |
| 791 | A | 29.3 | Very low | 31.9 | Very low | 76 Ų | 76 | 144.4 Ų | 144.4 | 63% | 0.628 | 81% | 0.814 | S | S | * | * | | | trans | 79.6 | 103.2 | 164.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 792 | I | 31.9 | Very low | 31.9 | Very low | 155 Ų | 155 | 146.1 Ų | 146.1 | 80% | 0.795 | 81% | 0.814 | S | S | * | * | | | trans | 68.7 | 87 | 134.8 | -47.8 | 174 | 0 | 0 | 0 | 119.3 | | |
| 793 | K | 28.8 | Very low | 31.8 | Very low | 206 Ų | 206 | 149.6 Ų | 149.6 | 90% | 0.896 | 82% | 0.816 | S | S | * | * | | | | 42.7 | 91.7 | 113.5 | -168.6 | -174.3 | -175.6 | 178.4 | 0 | 118.7 | | |
| 794 | A | 29.1 | Very low | 31.2 | Very low | 103 Ų | 103 | 147 Ų | 147 | 85% | 0.851 | 80% | 0.799 | S | S | * | * | | | trans | -141.2 | 163.2 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 795 | K | 27.6 | Very low | 31.2 | Very low | 198 Ų | 198 | 150 Ų | 150 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | | | trans | -123 | 157.8 | 176.1 | -77.5 | -171.5 | 176.9 | -175.7 | 0 | 110.6 | | |
| 796 | S | 31.5 | Very low | 31.1 | Very low | 114 Ų | 114 | 148.4 Ų | 148.4 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | 73 | 156.2 | 165.5 | 89.2 | 0 | 0 | 0 | 0 | 115 | | |
| 797 | K | 28.7 | Very low | 30.8 | Very low | 186 Ų | 186 | 150.5 Ų | 150.5 | 81% | 0.809 | 80% | 0.795 | S | S | * | * | | | cis | -166.3 | 147.7 | -15.2 | -122.8 | 179.1 | -178.7 | -176.1 | 0 | 108.8 | | |
| 798 | T | 28.5 | Very low | 31.8 | Very low | 119 Ų | 119 | 147.1 Ų | 147.1 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | 72.8 | 145.4 | 146.9 | -54.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 799 | D | 29.6 | Very low | 31.6 | Very low | 155 Ų | 155 | 145.4 Ų | 145.4 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | trans | 97.3 | 161.4 | 155.1 | -109.8 | -60.3 | 0 | 0 | 0 | 123.1 | | |
| 800 | K | 32.6 | Very low | 31.3 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -122.5 | 149.5 | -147.9 | -172.6 | 176.1 | 179.4 | 176.8 | 0 | 112.7 | | |
| 801 | P | 39.4 | Very low | 31.5 | Very low | 125 Ų | 125 | 140.6 Ų | 140.6 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | | | trans | -93.9 | 175 | -163.5 | 37.2 | -38.9 | 0 | 0 | 0 | 116.2 | | |
| 802 | K | 28 | Very low | 31.6 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | trans | -142.2 | 118.4 | 170.7 | -159.3 | 171.7 | -176.3 | 179.8 | 0 | 106.6 | | |
| 803 | K | 30.1 | Very low | 31.8 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | | | | 55.6 | 134.9 | 89.1 | -121.1 | -173.2 | 165.8 | -145.9 | 0 | 112.2 | | |
| 804 | Q | 28.1 | Very low | 32.1 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 56% | 0.561 | 77% | 0.772 | S | S | * | * | | | cis | -169.3 | 165.5 | 32 | -166.2 | 165.4 | -74.6 | 0 | 0 | 111.8 | | |
| 805 | E | 30 | Very low | 32.5 | Very low | 154 Ų | 154 | 139 Ų | 139 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | | | trans | 70.8 | 156 | 151.5 | -101.9 | 160.3 | 154.2 | 0 | 0 | 119.8 | | |
| 806 | T | 27.7 | Very low | 32.7 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | | | cis | -140.8 | 163 | 6.4 | -41.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 807 | Q | 28.9 | Very low | 32.8 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | trans | -87 | -163.6 | 175.4 | -124.8 | -173.9 | 12.7 | 0 | 0 | 112.4 | | |
| 808 | P | 51.8 | Low | 33.3 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | | | cis | -141.8 | -175.2 | -19.7 | 36.6 | -16.1 | 0 | 0 | 0 | 116.9 | | |
| 809 | A | 34.1 | Very low | 33.6 | Very low | 98 Ų | 98 | 135.2 Ų | 135.2 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | trans | 72.2 | 148.5 | 142.7 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 810 | A | 33.5 | Very low | 34.1 | Very low | 100 Ų | 100 | 132.7 Ų | 132.7 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | | | cis | -158.2 | -179.7 | -15.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 811 | A | 33.3 | Very low | 33.9 | Very low | 83 Ų | 83 | 131.6 Ų | 131.6 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | | | cis | -160.2 | 171.8 | 16.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 812 | D | 31.2 | Very low | 33.5 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | | | trans | 39.5 | 144.3 | 137.3 | -79.8 | 29.9 | 0 | 0 | 0 | 123.4 | | |
| 813 | V | 35.8 | Very low | 33.8 | Very low | 108 Ų | 108 | 127.9 Ų | 127.9 | 66% | 0.655 | 75% | 0.753 | S | S | * | * | | | cis | -168.1 | 155.8 | -7.5 | 111.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 814 | L | 35.1 | Very low | 34.4 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | | | trans | 12.6 | 157.7 | 153.9 | -48.8 | 171 | 0 | 0 | 0 | 121.9 | | |
| 815 | S | 36.6 | Very low | 34.8 | Very low | 98 Ų | 98 | 125.3 Ų | 125.3 | 69% | 0.685 | 76% | 0.763 | S | S | * | * | | | cis | 179.5 | 161 | -15.4 | -89.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 816 | A | 32.1 | Very low | 35 | Very low | 97 Ų | 97 | 122.8 Ų | 122.8 | 80% | 0.802 | 76% | 0.762 | S | S | * | * | | | trans | 67.6 | 167 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 817 | Q | 34.1 | Very low | 35.3 | Very low | 177 Ų | 177 | 122.3 Ų | 122.3 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | | | cis | -148.9 | -162.6 | -14.6 | -140.7 | -165.2 | -24.8 | 0 | 0 | 112 | | |
| 818 | L | 38.4 | Very low | 35.6 | Very low | 153 Ų | 153 | 120.5 Ų | 120.5 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | | | trans | -81.2 | 148.9 | -173.7 | -58.6 | 162.3 | 0 | 0 | 0 | 114.6 | | |
| 819 | S | 35.9 | Very low | 34.9 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -177.1 | 132.9 | 148.8 | -104.5 | 0 | 0 | 0 | 0 | 108 | | |
| 820 | S | 39 | Very low | 34.9 | Very low | 103 Ų | 103 | 124.7 Ų | 124.7 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | | 72.1 | 113.4 | 53.5 | 79.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 821 | D | 28.9 | Very low | 35 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | | | | -170.2 | -173.8 | 123.6 | -151.6 | 0.8 | 0 | 0 | 0 | 112.8 | | |
| 822 | V | 30.8 | Very low | 35.5 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | | | trans | -104.5 | 161.4 | -158.1 | 173.5 | 0 | 0 | 0 | 0 | 115.3 | | |
| 823 | V | 34.8 | Very low | 35.9 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | -61.5 | 158.2 | 176.3 | -134.6 | 0 | 0 | 0 | 0 | 113.8 | | |
| 824 | P | 42.3 | Very low | 35.9 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | | | | -146.8 | -165.3 | 96 | 40.7 | -23.9 | 0 | 0 | 0 | 115.4 | | |
| 825 | T | 36.7 | Very low | 35.9 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 73% | 0.73 | 82% | 0.821 | S | S | * | * | | | trans | -105 | 149.1 | -153 | 51.4 | 0 | 0 | 0 | 0 | 117.4 | | |
| 826 | S | 34.9 | Very low | 35.9 | Very low | 100 Ų | 100 | 134.4 Ų | 134.4 | 70% | 0.699 | 83% | 0.829 | S | S | * | * | | | trans | 82.4 | 161.5 | 135.1 | 76.8 | 0 | 0 | 0 | 0 | 123.2 | | |
| 827 | T | 34.1 | Very low | 36.1 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 71% | 0.712 | 83% | 0.83 | S | S | * | * | | | trans | 78.3 | 94.9 | 157.5 | 51.7 | 0 | 0 | 0 | 0 | 122.3 | | |
| 828 | T | 34.2 | Very low | 36.2 | Very low | 134 Ų | 134 | 134.1 Ų | 134.1 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | | | | 66.3 | 144.8 | 129.4 | 51.8 | 0 | 0 | 0 | 0 | 124.1 | | |
| 829 | K | 36.7 | Very low | 36.1 | Very low | 210 Ų | 210 | 132.8 Ų | 132.8 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | | | trans | 98.2 | 113.3 | 145.1 | -145.2 | 171.1 | -170.3 | 174.6 | 0 | 115.7 | | |
| 830 | G | 33.8 | Very low | 36.1 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | | | trans | -97.1 | 178 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 831 | G | 36.7 | Very low | 35.9 | Very low | 79 Ų | 79 | 136.8 Ų | 136.8 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | | | trans | -153.4 | 145.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 832 | K | 44.1 | Very low | 36.4 | Very low | 209 Ų | 209 | 134.7 Ų | 134.7 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | | | trans | -70.3 | 145.2 | -173.1 | -56.4 | 167.8 | -179.3 | 175.8 | 0 | 112.6 | | |
| 833 | S | 38.4 | Very low | 37 | Very low | 201 Ų | 201 | 135.8 Ų | 135.8 | 100% | 1.406 | 85% | 0.853 | S | S | * | * | | | | -152.5 | 0 | 130 | -73.6 | 0 | 0 | 0 | 0 | 108.4 | | |