| 1 | M | 34.1 | Very low | 39.8 | Very low | 245 Ų | 245 | 176.7 Ų | 176.7 | 100% | 1.207 | 83% | 0.831 | S | S | * | * | | | | 0 | 120.6 | 0 | -70 | -179 | -163.5 | 0 | 0 | 107.7 | | |
| 2 | N | 38.5 | Very low | 39.7 | Very low | 127 Ų | 127 | 174.8 Ų | 174.8 | 68% | 0.679 | 82% | 0.821 | S | S | * | * | | | trans | -96.6 | 110.5 | -166.5 | -172.3 | 10.7 | 0 | 0 | 0 | 109.9 | Q4 | N2-Q4 WeakPolarHBondContact OD1-CG 3.48Š|
| 3 | N | 40.5 | Very low | 39.9 | Very low | 157 Ų | 157 | 172.9 Ų | 172.9 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | | | trans | -116.8 | 65.6 | 175.5 | -88.3 | -25.2 | 0 | 0 | 0 | 109.3 | R5 | N3-R5 VanDerWaalsContact C-N 3.27Å; N3-R5 PolarHBondContact O-N 3.41Å |
| 4 | Q | 41.2 | Very low | 40.1 | Very low | 142 Ų | 142 | 172.1 Ų | 172.1 | 66% | 0.664 | 82% | 0.82 | S | S | * | * | | | trans | -73.3 | 86 | 165.4 | -78.3 | 175 | -12.8 | 0 | 0 | 108.3 | N2 H6 | N2-Q4 WeakPolarHBondContact OD1-CG 3.48Å; Q4-H6 PolarHBondContact O-N 2.86Å |
| 5 | R | 39.5 | Very low | 40.2 | Very low | 236 Ų | 236 | 173.1 Ų | 173.1 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | | | trans | -65.1 | 101.4 | 164.4 | -90.1 | -179.7 | 162.7 | 173.6 | -4.5 | 107.2 | N3 M7 | N3-R5 VanDerWaalsContact C-N 3.27Å; N3-R5 PolarHBondContact O-N 3.41Å; R5-M7 PolarHBondContact O-N 3.16Å |
| 6 | H | 40.6 | Very low | 40.5 | Very low | 160 Ų | 160 | 167.3 Ų | 167.3 | 74% | 0.741 | 81% | 0.814 | S | S | * | * | | | trans | -54.2 | 101.9 | 166.1 | -62.8 | -79.6 | 0 | 0 | 0 | 108.1 | Q4 L8 | Q4-H6 PolarHBondContact O-N 2.86Å; H6-L8 PolarHBondContact O-N 3.21Å |
| 7 | M | 38.6 | Very low | 40.6 | Very low | 183 Ų | 183 | 164 Ų | 164 | 90% | 0.901 | 81% | 0.812 | S | S | * | * | | | trans | -65.6 | 92.9 | 161.8 | -90.7 | -170.8 | -68.2 | 0 | 0 | 105.8 | R5 E9 | R5-M7 PolarHBondContact O-N 3.16Å; M7-E9 PolarHBondContact O-N 3.26Å |
| 8 | L | 44.4 | Very low | 40.8 | Very low | 154 Ų | 154 | 164.2 Ų | 164.2 | 81% | 0.806 | 81% | 0.81 | S | S | * | * | | | trans | -63.4 | 93.9 | 165.2 | -70 | 166.7 | 0 | 0 | 0 | 106 | H6 R10 | H6-L8 PolarHBondContact O-N 3.21Å; L8-R10 PolarHBondContact O-N 3.15Å |
| 9 | E | 41.5 | Very low | 41.2 | Very low | 178 Ų | 178 | 161.7 Ų | 161.7 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | -47.9 | 107.8 | 167.1 | -169.8 | 170.9 | -158.7 | 0 | 0 | 107 | M7 L11 | M7-E9 PolarHBondContact O-N 3.26Å; E9-L11 PolarHBondContact O-N 2.83Å |
| 10 | R | 38.6 | Very low | 41.2 | Very low | 216 Ų | 216 | 161.3 Ų | 161.3 | 82% | 0.815 | 81% | 0.808 | S | S | * | * | | | trans | -69.5 | 90.2 | 178.7 | -75.3 | 179.6 | 172.2 | 175.9 | -3.1 | 106.7 | L8 H12 | L8-R10 PolarHBondContact O-N 3.15Å; R10-H12 VanDerWaalsContact C-N 3.27Å; R10-H12 PolarHBondContact O-N 2.77Å |
| 11 | L | 39.9 | Very low | 41.1 | Very low | 146 Ų | 146 | 160.7 Ų | 160.7 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | | | trans | -59.8 | 96.1 | 168.8 | -158.3 | 80 | 0 | 0 | 0 | 106.5 | E9 L13 | E9-L11 PolarHBondContact O-N 2.83Å; L11-L13 PolarHBondContact O-N 3.39Å |
| 12 | H | 39.1 | Very low | 41.4 | Very low | 154 Ų | 154 | 154.7 Ų | 154.7 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | trans | -67.5 | 92.6 | 169.8 | -69.8 | 140.5 | 0 | 0 | 0 | 106 | R10 L14 | R10-H12 VanDerWaalsContact C-N 3.27Å; R10-H12 PolarHBondContact O-N 2.77Å; H12-L14 PolarHBondContact O-N 2.92Å |
| 13 | L | 41.7 | Very low | 41.5 | Very low | 150 Ų | 150 | 154.2 Ų | 154.2 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | -64.2 | 87.9 | 167.1 | -154.6 | 78 | 0 | 0 | 0 | 105.5 | L11 Q15 | L11-L13 PolarHBondContact O-N 3.39Å; L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.11Å |
| 14 | L | 43 | Very low | 41.5 | Very low | 161 Ų | 161 | 150.2 Ų | 150.2 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | | | trans | -54.4 | 107.3 | 164.9 | -85.7 | 135.4 | 0 | 0 | 0 | 104.5 | H12 A16 | H12-L14 PolarHBondContact O-N 2.92Å; L14-A16 PolarHBondContact O-N 3.15Å |
| 15 | Q | 41.6 | Very low | 41.4 | Very low | 188 Ų | 188 | 152.6 Ų | 152.6 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | | | trans | -59.8 | 91.7 | 177.9 | -167.9 | 175.1 | -10.8 | 0 | 0 | 105.9 | L13 S17 | L13-Q15 VanDerWaalsContact C-N 3.32Å; L13-Q15 PolarHBondContact O-N 3.11Å; Q15-S17 PolarHBondContact O-N 3.43Å |
| 16 | A | 45.7 | Very low | 41.5 | Very low | 80 Ų | 80 | 150.3 Ų | 150.3 | 66% | 0.661 | 78% | 0.784 | S | S | * | * | | | trans | -57.6 | 111.1 | 172 | 0 | 0 | 0 | 0 | 0 | 104.1 | L14 Q18 | L14-A16 PolarHBondContact O-N 3.15Å; A16-Q18 PolarHBondContact O-N 3.47Å |
| 17 | S | 40.9 | Very low | 41.3 | Very low | 111 Ų | 111 | 145.9 Ų | 145.9 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | | | trans | -56.7 | 92.3 | 172.3 | 53.7 | 0 | 0 | 0 | 0 | 106.2 | Q15 P19 | Q15-S17 PolarHBondContact O-N 3.43Å; S17-P19 WeakPolarHBondContact O-CD 3.4Å |
| 18 | Q | 45.7 | Very low | 41.5 | Very low | 168 Ų | 168 | 144 Ų | 144 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | | | trans | -62 | 122.3 | 176.1 | -70.9 | -173.9 | -11.1 | 0 | 0 | 105.3 | A16 N20 | A16-Q18 PolarHBondContact O-N 3.47Å; Q18-N20 PolarHBondContact O-N 2.86Å; Q18-N20 VanDerWaalsContact O-N 3.17Å |
| 19 | P | 46.8 | Very low | 41.2 | Very low | 117 Ų | 117 | 140.2 Ų | 140.2 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | -60.9 | 123.7 | 169.8 | 24.3 | -29.5 | 0 | 0 | 0 | 106.7 | S17 L21 | S17-P19 WeakPolarHBondContact O-CD 3.4Å; P19-L21 PolarHBondContact O-N 3.34Å |
| 20 | N | 42 | Very low | 41.3 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | | | trans | -50.2 | 104.1 | 177.2 | -73.3 | -28.3 | 0 | 0 | 0 | 109.1 | Q18 C22 | Q18-N20 PolarHBondContact O-N 2.86Å; Q18-N20 VanDerWaalsContact O-N 3.17Å; N20-C22 PolarHBondContact O-N 3.02Å; N20-C22 VanDerWaalsContact O-N 3.13Å |
| 21 | L | 38.4 | Very low | 41.3 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | trans | -82.3 | 90.7 | 178.7 | -175.2 | 69.5 | 0 | 0 | 0 | 107.9 | P19 I23 | P19-L21 PolarHBondContact O-N 3.34Å; L21-I23 HydrophobicContact CD2-CD1 4.39Å; L21-I23 HydrophobicContact CD2-CG1 4.39Å; L21-I23 HydrophobicContact CG-CG1 4.24Å; L21-I23 PolarHBondContact O-N 2.74Å |
| 22 | C | 41.1 | Very low | 41.8 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -77.3 | 98.9 | 174 | -62.4 | 0 | 0 | 0 | 0 | 109.3 | N20 G24 | N20-C22 PolarHBondContact O-N 3.02Å; N20-C22 VanDerWaalsContact O-N 3.13Å; C22-G24 PolarHBondContact O-N 2.81Å |
| 23 | I | 40.5 | Very low | 42.2 | Very low | 118 Ų | 118 | 132 Ų | 132 | 61% | 0.605 | 77% | 0.766 | S | S | * | * | | | trans | -79.9 | 98 | 169.1 | -60.2 | 169.6 | 0 | 0 | 0 | 107 | L21 F25 | L21-I23 HydrophobicContact CD2-CD1 4.39Å; L21-I23 HydrophobicContact CD2-CG1 4.39Å; L21-I23 HydrophobicContact CG-CG1 4.24Å; L21-I23 PolarHBondContact O-N 2.74Å; I23-F25 HydrophobicContact CG2-CE1 4.47Å; I23-F25 HydrophobicContact CG2-CE2 4.32Å; I23-F25 HydrophobicContact CG2-CZ 4.19Å; I23-F25 PolarHBondContact O-N 2.93Å |
| 24 | G | 40.2 | Very low | 42.4 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | trans | -75.6 | 109.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | C22 K26 | C22-G24 PolarHBondContact O-N 2.81Å; G24-K26 PolarHBondContact O-N 2.96Å; G24-K26 VanDerWaalsContact O-N 3.16Å |
| 25 | F | 40.2 | Very low | 42.1 | Very low | 192 Ų | 192 | 131.8 Ų | 131.8 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | | | trans | -71.1 | 106.5 | 165.1 | -65 | -80.3 | 0 | 0 | 0 | 107.7 | I23 G27 | I23-F25 HydrophobicContact CG2-CE1 4.47Å; I23-F25 HydrophobicContact CG2-CE2 4.32Å; I23-F25 HydrophobicContact CG2-CZ 4.19Å; I23-F25 PolarHBondContact O-N 2.93Å; F25-G27 VanDerWaalsContact C-N 3.32Å; F25-G27 PolarHBondContact O-N 3.22Å |
| 26 | K | 40.4 | Very low | 42.1 | Very low | 189 Ų | 189 | 129.5 Ų | 129.5 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | | | trans | -72.8 | 96.7 | 165.6 | -161.1 | 124 | 179 | -179.5 | 0 | 105.4 | G24 D28 | G24-K26 PolarHBondContact O-N 2.96Å; G24-K26 VanDerWaalsContact O-N 3.16Å; K26-D28 PolarHBondContact O-N 2.98Å |
| 27 | G | 37.9 | Very low | 42.2 | Very low | 66 Ų | 66 | 135.4 Ų | 135.4 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | | | trans | -62 | 115.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | F25 G29 | F25-G27 VanDerWaalsContact C-N 3.32Å; F25-G27 PolarHBondContact O-N 3.22Å; G27-G29 PolarHBondContact O-N 2.77Å |
| 28 | D | 41.6 | Very low | 42.3 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | | | trans | -65.5 | 80.3 | 164.4 | -67.7 | -35.4 | 0 | 0 | 0 | 106 | K26 D30 | K26-D28 PolarHBondContact O-N 2.98Å; D28-D30 PolarHBondContact O-N 3.02Å |
| 29 | G | 38.6 | Very low | 42.1 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | | | trans | -84.1 | 97.9 | 173 | 0 | 0 | 0 | 0 | 0 | 107.2 | G27 D31 | G27-G29 PolarHBondContact O-N 2.77Å; G29-D31 PolarHBondContact O-N 3.01Å |
| 30 | D | 42.3 | Very low | 41.7 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | -56.1 | 126.2 | 176.2 | -64.3 | -49 | 0 | 0 | 0 | 111.3 | D28 V32 | D28-D30 PolarHBondContact O-N 3.02Å; D30-V32 VanDerWaalsContact O-CG2 3.32Å; D30-V32 WeakPolarHBondContact O-CG2 3.31Å; D30-V32 PolarHBondContact O-N 2.74Å; D30-V32 VanDerWaalsContact O-N 3.15Å |
| 31 | D | 40.4 | Very low | 41.5 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | | | trans | 7.4 | 86.4 | 144.5 | -147.9 | 19 | 0 | 0 | 0 | 116.4 | G29 | G29-D31 PolarHBondContact O-N 3.01Š|
| 32 | V | 49.7 | Very low | 41.7 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | | | trans | -114.9 | 93 | 161.7 | -143.1 | 0 | 0 | 0 | 0 | 107.7 | D30 E34 | D30-V32 VanDerWaalsContact O-CG2 3.32Å; D30-V32 WeakPolarHBondContact O-CG2 3.31Å; D30-V32 PolarHBondContact O-N 2.74Å; D30-V32 VanDerWaalsContact O-N 3.15Å; V32-E34 HydrophobicContact CG1-CG 4.28Å; V32-E34 VanDerWaalsContact CG1-OE1 3.28Å; V32-E34 WeakPolarHBondContact CG1-OE1 3.05Å; V32-E34 PolarHBondContact O-N 2.79Å |
| 33 | V | 47.8 | Very low | 41.4 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 76% | 0.758 | 77% | 0.765 | S | S | * | * | | | trans | -74.9 | 94.5 | 161.8 | -76.9 | 0 | 0 | 0 | 0 | 106.7 | D35 | V33-D35 PolarHBondContact O-N 2.86Š|
| 34 | E | 44.8 | Very low | 41.5 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | -76.1 | 108.2 | 172 | -67.6 | -72.3 | 162.4 | 0 | 0 | 108.1 | V32 | V32-E34 HydrophobicContact CG1-CG 4.28Å; V32-E34 VanDerWaalsContact CG1-OE1 3.28Å; V32-E34 WeakPolarHBondContact CG1-OE1 3.05Å; V32-E34 PolarHBondContact O-N 2.79Å |
| 35 | D | 38 | Very low | 41.5 | Very low | 139 Ų | 139 | 142.4 Ų | 142.4 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | -72.4 | 144.7 | 164.6 | -108.3 | -19.4 | 0 | 0 | 0 | 109.5 | V33 | V33-D35 PolarHBondContact O-N 2.86Š|
| 36 | D | 41.6 | Very low | 41.6 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 74% | 0.743 | 78% | 0.78 | S | S | * | * | | | trans | 68.5 | 89.2 | 154.8 | -56 | -31.1 | 0 | 0 | 0 | 120 | E38 | D36-E38 PolarHBondContact O-N 2.99Š|
| 37 | E | 47.1 | Very low | 41.4 | Very low | 205 Ų | 205 | 136.2 Ų | 136.2 | 96% | 0.958 | 78% | 0.775 | S | S | * | * | | | trans | -71.3 | 105 | 159 | -74.2 | -99.1 | 170.5 | 0 | 0 | 110.4 | | |
| 38 | E | 44 | Very low | 41.4 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | | | trans | -87.6 | 125.6 | 179.3 | -159.5 | -174.7 | -156.2 | 0 | 0 | 111.4 | D36 G40 | D36-E38 PolarHBondContact O-N 2.99Å; E38-G40 VanDerWaalsContact C-N 3.32Å; E38-G40 PolarHBondContact O-N 2.88Å |
| 39 | E | 40.6 | Very low | 41.5 | Very low | 208 Ų | 208 | 138.4 Ų | 138.4 | 97% | 0.972 | 77% | 0.77 | S | S | * | * | | | trans | -73.7 | 81.2 | 167.1 | -73.1 | -172.8 | 172.9 | 0 | 0 | 110.3 | | |
| 40 | G | 39.2 | Very low | 41.6 | Very low | 58 Ų | 58 | 140.5 Ų | 140.5 | 60% | 0.598 | 76% | 0.763 | S | S | * | * | | | trans | -115.5 | 92.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E38 S42 | E38-G40 VanDerWaalsContact C-N 3.32Å; E38-G40 PolarHBondContact O-N 2.88Å; G40-S42 PolarHBondContact O-N 2.98Å |
| 41 | N | 36.6 | Very low | 41.6 | Very low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | -85.6 | 94.4 | 178.5 | -166.5 | 69.3 | 0 | 0 | 0 | 111 | | |
| 42 | S | 43.9 | Very low | 41.5 | Very low | 96 Ų | 96 | 140.1 Ų | 140.1 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | trans | -133.8 | 112.9 | 166.4 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | G40 D44 | G40-S42 PolarHBondContact O-N 2.98Å; S42-D44 PolarHBondContact O-N 3.11Å; S42-D44 VanDerWaalsContact O-N 3.11Å |
| 43 | N | 34.6 | Very low | 41.1 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | -69.7 | 94 | 174.3 | -67.7 | -56 | 0 | 0 | 0 | 110.5 | | |
| 44 | D | 41 | Very low | 40.9 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 78% | 0.775 | 77% | 0.767 | S | S | * | * | | | trans | -112 | 100.4 | 160.6 | -76.5 | -34.4 | 0 | 0 | 0 | 109.2 | S42 E46 | S42-D44 PolarHBondContact O-N 3.11Å; S42-D44 VanDerWaalsContact O-N 3.11Å; D44-E46 VanDerWaalsContact C-N 3.28Å; D44-E46 PolarHBondContact O-N 3.28Å; D44-E46 VanDerWaalsContact O-N 3.12Å |
| 45 | I | 40.9 | Very low | 40.6 | Very low | 171 Ų | 171 | 140 Ų | 140 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | trans | -77.7 | 83.9 | 166.9 | -59.7 | 171.1 | 0 | 0 | 0 | 106.6 | | |
| 46 | E | 42.6 | Very low | 40.9 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | | | trans | -138.9 | 104.1 | 156.8 | -100.8 | 178 | 175.5 | 0 | 0 | 105.2 | D44 | D44-E46 VanDerWaalsContact C-N 3.28Å; D44-E46 PolarHBondContact O-N 3.28Å; D44-E46 VanDerWaalsContact O-N 3.12Å |
| 47 | G | 36.4 | Very low | 40.9 | Very low | 69 Ų | 69 | 137.3 Ų | 137.3 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | | | | 93.2 | 87.9 | 82.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 48 | N | 36.9 | Very low | 40.4 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 66% | 0.658 | 75% | 0.748 | S | S | * | * | | | trans | 66.7 | 57.3 | 155.5 | -161.9 | 54 | 0 | 0 | 0 | 116 | N50 | N48-N50 PolarHBondContact ND2-ND2 2.91Å; N48-N50 PolarHBondContact O-N 2.97Å; N48-N50 PolarHBondContact OD1-OD1 2.76Å |
| 49 | I | 43.7 | Very low | 40.2 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | trans | -72.7 | 88.5 | 155.6 | -35.2 | -179.7 | 0 | 0 | 0 | 107.1 | N51 | I49-N51 HydrophobicContact CG2-CB 4.12Å; I49-N51 VanDerWaalsContact CG2-ND2 3.29Å; I49-N51 WeakPolarHBondContact CG2-ND2 3.34Å; I49-N51 WeakPolarHBondContact CG2-OD1 3.33Å; I49-N51 PolarHBondContact O-N 3.01Å |
| 50 | N | 41 | Very low | 40 | Very low | 119 Ų | 119 | 128.3 Ų | 128.3 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | | | trans | -61.3 | 61.5 | 154.1 | -73.6 | -17.7 | 0 | 0 | 0 | 108.2 | N48 N52 | N48-N50 PolarHBondContact ND2-ND2 2.91Å; N48-N50 PolarHBondContact O-N 2.97Å; N48-N50 PolarHBondContact OD1-OD1 2.76Å; N50-N52 PolarHBondContact O-N 2.9Å |
| 51 | N | 43.4 | Very low | 40.1 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | | | trans | -70.8 | 98.1 | 162.2 | -81.4 | -20.4 | 0 | 0 | 0 | 104.2 | I49 S53 | I49-N51 HydrophobicContact CG2-CB 4.12Å; I49-N51 VanDerWaalsContact CG2-ND2 3.29Å; I49-N51 WeakPolarHBondContact CG2-ND2 3.34Å; I49-N51 WeakPolarHBondContact CG2-OD1 3.33Å; I49-N51 PolarHBondContact O-N 3.01Å; N51-S53 PolarHBondContact O-N 2.98Å |
| 52 | N | 38.2 | Very low | 40.5 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | | | trans | -29.3 | 80.7 | 146.5 | -78.9 | -16.1 | 0 | 0 | 0 | 109.2 | N50 L54 | N50-N52 PolarHBondContact O-N 2.9Å; N52-L54 VanDerWaalsContact C-N 3.28Å; N52-L54 PolarHBondContact O-N 3.12Å |
| 53 | S | 40.9 | Very low | 40.1 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | | | trans | -57.2 | 109.6 | 154.9 | 177.9 | 0 | 0 | 0 | 0 | 102 | N51 I55 | N51-S53 PolarHBondContact O-N 2.98Å; S53-I55 PolarHBondContact O-N 3.05Å |
| 54 | L | 44 | Very low | 40.2 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 85% | 0.848 | 73% | 0.73 | S | S | * | * | | | trans | -48.9 | 101.1 | 161.6 | -83.3 | 97.4 | 0 | 0 | 0 | 104.3 | N52 A56 | N52-L54 VanDerWaalsContact C-N 3.28Å; N52-L54 PolarHBondContact O-N 3.12Å; L54-A56 PolarHBondContact O-N 2.66Å |
| 55 | I | 38.9 | Very low | 40.2 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | | | trans | -64.5 | 83.1 | 163.1 | -60.2 | 168.6 | 0 | 0 | 0 | 101.5 | S53 D57 | S53-I55 PolarHBondContact O-N 3.05Å; I55-D57 PolarHBondContact O-N 3.23Å |
| 56 | A | 43.3 | Very low | 40.3 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 66% | 0.661 | 73% | 0.726 | S | S | * | * | | | trans | -58 | 101.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 102.1 | L54 E58 | L54-A56 PolarHBondContact O-N 2.66Å; A56-E58 VanDerWaalsContact C-N 3.28Å; A56-E58 WeakPolarHBondContact O-CA 3.47Å; A56-E58 PolarHBondContact O-N 2.8Å |
| 57 | D | 41.5 | Very low | 40.3 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 73% | 0.726 | S | S | * | * | | | trans | -40.4 | 101.1 | -178.4 | -78.1 | -42.5 | 0 | 0 | 0 | 107.3 | I55 C59 | I55-D57 PolarHBondContact O-N 3.23Å; D57-C59 PolarHBondContact O-N 2.96Å |
| 58 | E | 37.4 | Very low | 40.9 | Very low | 150 Ų | 150 | 138.4 Ų | 138.4 | 70% | 0.701 | 73% | 0.734 | S | S | * | * | | | trans | -73.7 | 87.7 | -172.5 | -166.1 | 171.2 | -162.3 | 0 | 0 | 103.3 | A56 H60 | A56-E58 VanDerWaalsContact C-N 3.28Å; A56-E58 WeakPolarHBondContact O-CA 3.47Å; A56-E58 PolarHBondContact O-N 2.8Å; E58-H60 PolarHBondContact O-N 2.71Å; E58-H60 PolarHBondContact O-ND1 2.77Å; E58-H60 IonicContact OE2-CE1 3.72Å |
| 59 | C | 38.6 | Very low | 41.2 | Very low | 115 Ų | 115 | 140.5 Ų | 140.5 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | | | trans | -63.1 | 92 | 172.3 | -74 | 0 | 0 | 0 | 0 | 105.5 | D57 S61 | D57-C59 PolarHBondContact O-N 2.96Å; C59-S61 PolarHBondContact O-N 2.87Å |
| 60 | H | 37.4 | Very low | 41.2 | Very low | 138 Ų | 138 | 139.5 Ų | 139.5 | 64% | 0.639 | 74% | 0.742 | S | S | * | * | | | trans | -66.3 | 66.7 | 172.2 | -69.6 | 81.6 | 0 | 0 | 0 | 108.9 | E58 F62 | E58-H60 PolarHBondContact O-N 2.71Å; E58-H60 PolarHBondContact O-ND1 2.77Å; E58-H60 IonicContact OE2-CE1 3.72Å; H60-F62 PolarHBondContact O-N 3.47Å |
| 61 | S | 41.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 141.5 Ų | 141.5 | 70% | 0.699 | 75% | 0.745 | S | S | * | * | | | trans | -80.1 | 98 | 165.2 | -171.5 | 0 | 0 | 0 | 0 | 106.6 | C59 G63 | C59-S61 PolarHBondContact O-N 2.87Å; S61-G63 PolarHBondContact O-N 2.88Å |
| 62 | F | 43.5 | Very low | 41.4 | Very low | 198 Ų | 198 | 140.2 Ų | 140.2 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | | | trans | -46.6 | 113.8 | 168 | -66.1 | -91.7 | 0 | 0 | 0 | 109.9 | H60 | H60-F62 PolarHBondContact O-N 3.47Š|
| 63 | G | 35.9 | Very low | 41.7 | Very low | 55 Ų | 55 | 145.3 Ų | 145.3 | 57% | 0.567 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 100.4 | 117.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S61 | S61-G63 PolarHBondContact O-N 2.88Š|
| 64 | H | 38.4 | Very low | 41.9 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 73% | 0.731 | 76% | 0.755 | S | S | * | * | | | trans | 82 | 97.2 | 167.2 | -57.8 | -16 | 0 | 0 | 0 | 115.5 | H66 | H64-H66 WeakPolarHBondContact CB-NE2 3.32Å; H64-H66 PolarHBondContact O-CD2 2.83Å; H64-H66 VanDerWaalsContact O-CD2 3.26Å; H64-H66 PolarHBondContact O-N 2.95Å |
| 65 | I | 39.5 | Very low | 41.9 | Very low | 170 Ų | 170 | 148 Ų | 148 | 87% | 0.872 | 75% | 0.748 | S | S | * | * | | | trans | -62.2 | 83 | 157.4 | -47.6 | 166.5 | 0 | 0 | 0 | 106.5 | K67 | I65-K67 PolarHBondContact O-N 3.02Š|
| 66 | H | 43.8 | Very low | 42 | Very low | 148 Ų | 148 | 152.1 Ų | 152.1 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | | | trans | -67.1 | 104.3 | 167.1 | -69.3 | -78.1 | 0 | 0 | 0 | 105.8 | H64 K68 | H64-H66 WeakPolarHBondContact CB-NE2 3.32Å; H64-H66 PolarHBondContact O-CD2 2.83Å; H64-H66 VanDerWaalsContact O-CD2 3.26Å; H64-H66 PolarHBondContact O-N 2.95Å; H66-K68 PolarHBondContact O-N 2.97Å |
| 67 | K | 42 | Very low | 42.1 | Very low | 195 Ų | 195 | 152.8 Ų | 152.8 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | trans | -48.1 | 119.9 | 162.7 | -72.7 | -175.2 | 177.1 | -177.5 | 0 | 105.5 | I65 E69 | I65-K67 PolarHBondContact O-N 3.02Å; K67-E69 PolarHBondContact O-N 3.36Å |
| 68 | K | 49 | Very low | 42.3 | Very low | 204 Ų | 204 | 155.6 Ų | 155.6 | 89% | 0.887 | 77% | 0.766 | S | S | * | * | | | trans | -57.9 | 91.4 | 179.7 | -71 | -176.1 | 179.1 | 178.3 | 0 | 107.4 | H66 | H66-K68 PolarHBondContact O-N 2.97Š|
| 69 | E | 44.1 | Very low | 42.4 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | | | trans | -66.4 | 123.8 | 170.4 | -155.1 | 163.7 | -163.4 | 0 | 0 | 104.9 | K67 F71 | K67-E69 PolarHBondContact O-N 3.36Å; E69-F71 PolarHBondContact O-N 3.18Å |
| 70 | P | 42.5 | Very low | 42.9 | Very low | 112 Ų | 112 | 153.2 Ų | 153.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | | | trans | -58.9 | 113.5 | -177.5 | 21 | -30.1 | 0 | 0 | 0 | 107.8 | T72 | P70-T72 PolarHBondContact O-N 2.97Š|
| 71 | F | 44.6 | Very low | 43.2 | Very low | 160 Ų | 160 | 152.1 Ų | 152.1 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | | | trans | -51.2 | 110 | 174.3 | -71 | -79 | 0 | 0 | 0 | 108 | E69 R73 E75 | E69-F71 PolarHBondContact O-N 3.18Å; F71-R73 PolarHBondContact O-N 3.35Å; F71-E75 VanDerWaalsContact CD1-CD 3.47Å; F71-E75 WeakPolarHBondContact CD1-OE2 3.41Å; F71-E75 WeakPolarHBondContact CE1-OE2 3.16Å |
| 72 | T | 44.4 | Very low | 43.3 | Very low | 104 Ų | 104 | 154 Ų | 154 | 64% | 0.638 | 76% | 0.761 | S | S | * | * | | | trans | -57.4 | 139.7 | 167.2 | 63.4 | 0 | 0 | 0 | 0 | 106.6 | P70 Q74 | P70-T72 PolarHBondContact O-N 2.97Å; T72-Q74 PolarHBondContact O-N 3.33Å |
| 73 | R | 44.2 | Very low | 43.5 | Very low | 258 Ų | 258 | 150.9 Ų | 150.9 | 97% | 0.974 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | 11.1 | -172.6 | -132.1 | 179.2 | -165.8 | -122.7 | 5.2 | 115.4 | F71 | F71-R73 PolarHBondContact O-N 3.35Š|
| 74 | Q | 44.7 | Very low | 44 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -0 | -172.3 | -71.2 | -176.5 | -1.2 | 0 | 0 | 114.7 | T72 R76 | T72-Q74 PolarHBondContact O-N 3.33Å; Q74-R76 PolarHBondContact O-N 2.97Å |
| 75 | E | 44 | Very low | 44.4 | Very low | 148 Ų | 148 | 153.1 Ų | 153.1 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | | | trans | -74.1 | 64.3 | 165.2 | -67.9 | -171.3 | 178.4 | 0 | 0 | 110.2 | F71 A77 | F71-E75 VanDerWaalsContact CD1-CD 3.47Å; F71-E75 WeakPolarHBondContact CD1-OE2 3.41Å; F71-E75 WeakPolarHBondContact CE1-OE2 3.16Å; E75-A77 PolarHBondContact O-N 3.05Å |
| 76 | R | 41.9 | Very low | 44.6 | Very low | 225 Ų | 225 | 154.1 Ų | 154.1 | 85% | 0.849 | 76% | 0.762 | S | S | * | * | | | trans | -67.7 | 122.4 | 176.1 | -137.2 | 177.3 | -163.9 | -174.2 | 3.5 | 107.1 | Q74 F78 | Q74-R76 PolarHBondContact O-N 2.97Å; R76-F78 PolarHBondContact O-N 2.88Å |
| 77 | A | 45.4 | Very low | 44.7 | Very low | 94 Ų | 94 | 156.5 Ų | 156.5 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | | | trans | -37 | 123.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E75 S79 | E75-A77 PolarHBondContact O-N 3.05Å; A77-S79 PolarHBondContact O-N 2.97Å; A77-S79 VanDerWaalsContact O-N 3.07Å |
| 78 | F | 46 | Very low | 44.9 | Very low | 201 Ų | 201 | 151.5 Ų | 151.5 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | | | trans | -63.8 | 110.8 | 170.2 | -69 | -86.1 | 0 | 0 | 0 | 108.1 | R76 L80 | R76-F78 PolarHBondContact O-N 2.88Å; F78-L80 PolarHBondContact O-N 2.84Å |
| 79 | S | 40.2 | Very low | 44.6 | Very low | 77 Ų | 77 | 150 Ų | 150 | 54% | 0.538 | 76% | 0.762 | S | S | . | * | | | trans | -69 | 112.5 | 176.2 | -165.9 | 0 | 0 | 0 | 0 | 109.1 | A77 T81 N82 | A77-S79 PolarHBondContact O-N 2.97Å; A77-S79 VanDerWaalsContact O-N 3.07Å; S79-T81 PolarHBondContact O-N 3.2Å; S79-T81 PolarHBondContact OG-OG1 2.82Å; S79-N82 PolarHBondContact O-N 3.11Å |
| 80 | L | 49 | Very low | 44.9 | Very low | 137 Ų | 137 | 149.7 Ų | 149.7 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -63.1 | -5.2 | 176 | -66.9 | 171.3 | 0 | 0 | 0 | 113.2 | F78 N82 L83 | F78-L80 PolarHBondContact O-N 2.84Å; L80-N82 PolarHBondContact O-N 3.1Å; L80-N82 VanDerWaalsContact O-N 3.17Å; L80-L83 HydrophobicContact CB-CD1 4.37Å; L80-L83 HydrophobicContact CD2-CD1 4.08Å; L80-L83 PolarHBondContact O-N 2.9Å |
| 81 | T | 43.5 | Very low | 45 | Very low | 116 Ų | 116 | 150.8 Ų | 150.8 | 71% | 0.712 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -63.7 | -15.8 | 175.9 | 43.2 | 0 | 0 | 0 | 0 | 114.1 | S79 L83 | S79-T81 PolarHBondContact O-N 3.2Å; S79-T81 PolarHBondContact OG-OG1 2.82Å; T81-L83 VanDerWaalsContact C-N 3.34Å |
| 82 | N | 44 | Very low | 45.1 | Very low | 140 Ų | 140 | 147.9 Ų | 147.9 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -89.6 | 9.9 | 176.5 | -75.6 | -6.8 | 0 | 0 | 0 | 114.5 | S79 L80 I84 | S79-N82 PolarHBondContact O-N 3.11Å; L80-N82 PolarHBondContact O-N 3.1Å; L80-N82 VanDerWaalsContact O-N 3.17Å; N82-I84 VanDerWaalsContact C-N 3.26Å; N82-I84 PolarHBondContact O-N 3.01Å |
| 83 | L | 46.4 | Very low | 45.2 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | | | trans | -69.9 | 89.8 | 169.5 | -69.3 | 172.2 | 0 | 0 | 0 | 108.9 | L80 T81 P85 | L80-L83 HydrophobicContact CB-CD1 4.37Å; L80-L83 HydrophobicContact CD2-CD1 4.08Å; L80-L83 PolarHBondContact O-N 2.9Å; T81-L83 VanDerWaalsContact C-N 3.34Å; L83-P85 WeakPolarHBondContact O-CD 3.32Å |
| 84 | I | 47.4 | Very low | 45.4 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -56.5 | 120.2 | 168.5 | -61.5 | 171.8 | 0 | 0 | 0 | 106.4 | N82 Q86 | N82-I84 VanDerWaalsContact C-N 3.26Å; N82-I84 PolarHBondContact O-N 3.01Å; I84-Q86 PolarHBondContact O-N 2.77Å |
| 85 | P | 45.9 | Very low | 45.6 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -59.3 | 111.2 | 176.2 | -18.5 | 29.8 | 0 | 0 | 0 | 108.1 | L83 K87 | L83-P85 WeakPolarHBondContact O-CD 3.32Å; P85-K87 PolarHBondContact O-N 2.95Å |
| 86 | Q | 44.9 | Very low | 45.6 | Very low | 190 Ų | 190 | 150.8 Ų | 150.8 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | | | trans | -66.1 | 108 | 169.9 | -71.1 | -173 | 0.4 | 0 | 0 | 106.6 | I84 A88 | I84-Q86 PolarHBondContact O-N 2.77Å; Q86-A88 PolarHBondContact O-N 2.97Å |
| 87 | K | 45.5 | Very low | 45.8 | Very low | 199 Ų | 199 | 146 Ų | 146 | 87% | 0.865 | 76% | 0.764 | S | S | * | * | | | trans | -64.5 | 101.8 | 168.9 | -75.5 | -176 | 175.9 | -177.6 | 0 | 107.1 | P85 E89 | P85-K87 PolarHBondContact O-N 2.95Å; K87-E89 PolarHBondContact O-N 3.06Å |
| 88 | A | 45.5 | Very low | 45.7 | Very low | 90 Ų | 90 | 147.5 Ų | 147.5 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | -73.9 | 110.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q86 I90 | Q86-A88 PolarHBondContact O-N 2.97Å; A88-I90 PolarHBondContact O-N 3.02Å |
| 89 | E | 42.6 | Very low | 45.6 | Very low | 172 Ų | 172 | 143.4 Ų | 143.4 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -75.8 | 110.3 | 166.5 | -74.9 | -178.1 | 173.3 | 0 | 0 | 108 | K87 L91 | K87-E89 PolarHBondContact O-N 3.06Å; E89-L91 PolarHBondContact O-N 2.95Å |
| 90 | I | 50 | Low | 45.6 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | | | trans | -78.4 | 102.3 | 169.9 | -57.9 | 172.5 | 0 | 0 | 0 | 106.2 | A88 S92 | A88-I90 PolarHBondContact O-N 3.02Å; I90-S92 PolarHBondContact O-N 3.03Å |
| 91 | L | 45.1 | Very low | 45.2 | Very low | 135 Ų | 135 | 146.7 Ų | 146.7 | 71% | 0.707 | 76% | 0.759 | S | S | * | * | | | trans | -67.8 | 102.4 | 172.1 | -68 | 168.6 | 0 | 0 | 0 | 108.4 | E89 F93 | E89-L91 PolarHBondContact O-N 2.95Å; L91-F93 PolarHBondContact O-N 2.95Å |
| 92 | S | 45.9 | Very low | 44.8 | Very low | 98 Ų | 98 | 145.8 Ų | 145.8 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | trans | -73.6 | 111.6 | 171 | 63.2 | 0 | 0 | 0 | 0 | 108.9 | I90 N94 | I90-S92 PolarHBondContact O-N 3.03Å; S92-N94 PolarHBondContact O-N 2.98Å; S92-N94 VanDerWaalsContact O-N 3.11Å |
| 93 | F | 46.7 | Very low | 44.5 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 85% | 0.846 | 76% | 0.76 | S | S | * | * | | | trans | -66.8 | 109.4 | 168.8 | -65 | -84.4 | 0 | 0 | 0 | 108.2 | L91 E95 | L91-F93 PolarHBondContact O-N 2.95Å; F93-E95 PolarHBondContact O-N 3.09Å |
| 94 | N | 49.7 | Very low | 43.9 | Very low | 135 Ų | 135 | 147.4 Ų | 147.4 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | | | trans | -64.4 | 106.5 | 163.6 | -71.3 | -21.7 | 0 | 0 | 0 | 106.4 | S92 Y96 | S92-N94 PolarHBondContact O-N 2.98Å; S92-N94 VanDerWaalsContact O-N 3.11Å; N94-Y96 PolarHBondContact O-N 3.06Å |
| 95 | E | 47.7 | Very low | 43.4 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.874 | 76% | 0.761 | S | S | * | * | | | trans | -57.8 | 108.9 | 168.4 | -163.2 | 169.9 | -158.4 | 0 | 0 | 106.3 | F93 N97 | F93-E95 PolarHBondContact O-N 3.09Å; E95-N97 PolarHBondContact O-N 3.27Å |
| 96 | Y | 45.4 | Very low | 43 | Very low | 224 Ų | 224 | 146.7 Ų | 146.7 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | | | trans | -61.7 | 93 | 172.7 | -84.9 | -96.4 | 0 | 0 | 0 | 106.6 | N94 N98 | N94-Y96 PolarHBondContact O-N 3.06Å; Y96-N98 PolarHBondContact O-N 3.48Å |
| 97 | N | 45.7 | Very low | 42.7 | Very low | 124 Ų | 124 | 146.6 Ų | 146.6 | 66% | 0.663 | 77% | 0.765 | S | S | * | * | | | trans | -67.9 | 87.9 | 173.5 | -173.5 | 16.1 | 0 | 0 | 0 | 107.4 | E95 N99 | E95-N97 PolarHBondContact O-N 3.27Å; N97-N99 PolarHBondContact O-N 2.98Å; N97-N99 PolarHBondContact OD1-ND2 3.42Å; N97-N99 PolarHBondContact OD1-OD1 3.46Å |
| 98 | N | 41.8 | Very low | 42.2 | Very low | 126 Ų | 126 | 146 Ų | 146 | 67% | 0.674 | 77% | 0.765 | S | S | * | * | | | trans | -76.4 | 56.4 | 176.1 | -162.6 | 16.3 | 0 | 0 | 0 | 109.3 | Y96 N100 | Y96-N98 PolarHBondContact O-N 3.48Å; N98-N100 PolarHBondContact O-N 3.47Å; N98-N100 VanDerWaalsContact O-N 3.15Å; N98-N100 PolarHBondContact OD1-ND2 3.5Å |
| 99 | N | 45.7 | Very low | 41.9 | Very low | 116 Ų | 116 | 152 Ų | 152 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | | | trans | -86.7 | 61.3 | 167.2 | -82.6 | -5.8 | 0 | 0 | 0 | 108.6 | N97 N101 | N97-N99 PolarHBondContact O-N 2.98Å; N97-N99 PolarHBondContact OD1-ND2 3.42Å; N97-N99 PolarHBondContact OD1-OD1 3.46Å; N99-N101 PolarHBondContact O-N 3.5Å; N99-N101 VanDerWaalsContact O-N 3.16Å |
| 100 | N | 39 | Very low | 41.5 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | | | trans | -80.8 | 65.9 | 154.4 | -75.1 | -36.6 | 0 | 0 | 0 | 107.9 | N98 | N98-N100 PolarHBondContact O-N 3.47Å; N98-N100 VanDerWaalsContact O-N 3.15Å; N98-N100 PolarHBondContact OD1-ND2 3.5Å |
| 101 | N | 40.1 | Very low | 41.2 | Very low | 142 Ų | 142 | 148.3 Ų | 148.3 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | | | trans | -120.9 | 98.6 | 159 | -86.6 | -30 | 0 | 0 | 0 | 104.6 | N99 | N99-N101 PolarHBondContact O-N 3.5Å; N99-N101 VanDerWaalsContact O-N 3.16Å |
| 102 | S | 35.9 | Very low | 40.7 | Very low | 96 Ų | 96 | 149.6 Ų | 149.6 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | | 84.6 | 88.4 | 97.6 | 172.7 | 0 | 0 | 0 | 0 | 109.6 | N104 | S102-N104 PolarHBondContact O-N 3.27Š|
| 103 | D | 36.8 | Very low | 40.3 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | | | trans | 24.4 | 97.3 | 133.7 | -57 | -33.9 | 0 | 0 | 0 | 115.2 | | |
| 104 | N | 35 | Very low | 39.8 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 83% | 0.829 | 76% | 0.763 | S | S | * | * | | | trans | -149 | 97.4 | 145.1 | -97.7 | -28 | 0 | 0 | 0 | 108 | S102 | S102-N104 PolarHBondContact O-N 3.27Š|
| 105 | S | 37.5 | Very low | 39.1 | Very low | 92 Ų | 92 | 147 Ų | 147 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | | | trans | 4.3 | 125.4 | 142.3 | 52 | 0 | 0 | 0 | 0 | 116.6 | | |
| 106 | D | 35.6 | Very low | 38.6 | Very low | 153 Ų | 153 | 147.1 Ų | 147.1 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | | | | 21.9 | 106.2 | 123.7 | -58.2 | -41.4 | 0 | 0 | 0 | 115 | | |
| 107 | E | 39.9 | Very low | 38.2 | Very low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 75% | 0.753 | S | S | * | * | | | | 178 | 135.1 | 122.1 | -97.1 | 176.4 | -174.2 | 0 | 0 | 111.2 | R109 | E107-R109 PolarHBondContact O-N 3.36Š|
| 108 | H | 34.9 | Very low | 37.9 | Very low | 188 Ų | 188 | 142 Ų | 142 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | | | trans | -44.5 | 113.9 | 173.1 | -67.2 | -89.5 | 0 | 0 | 0 | 113.5 | | |
| 109 | R | 38.1 | Very low | 37.6 | Very low | 215 Ų | 215 | 143.6 Ų | 143.6 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | trans | -147.5 | 78.7 | 155.1 | -139.6 | 170.4 | 176.5 | 170.7 | -3.1 | 112.8 | E107 N111 | E107-R109 PolarHBondContact O-N 3.36Å; R109-N111 PolarHBondContact NE-ND2 3.48Å; R109-N111 PolarHBondContact O-N 3.47Å; R109-N111 VanDerWaalsContact O-N 3.15Å |
| 110 | N | 34.6 | Very low | 37.3 | Very low | 140 Ų | 140 | 147.5 Ų | 147.5 | 75% | 0.749 | 76% | 0.764 | S | S | * | * | | | trans | -49.6 | 102.1 | 147.8 | 52 | -20.8 | 0 | 0 | 0 | 111 | | |
| 111 | N | 44.7 | Very low | 37.3 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | | | trans | -144 | 111.9 | 159.3 | -81.2 | -37.2 | 0 | 0 | 0 | 109.9 | R109 T113 | R109-N111 PolarHBondContact NE-ND2 3.48Å; R109-N111 PolarHBondContact O-N 3.47Å; R109-N111 VanDerWaalsContact O-N 3.15Å; N111-T113 PolarHBondContact O-N 3.47Å |
| 112 | N | 34.7 | Very low | 37.2 | Very low | 161 Ų | 161 | 151.2 Ų | 151.2 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | | | trans | -15.7 | 107.7 | 160.8 | -84.3 | -25.2 | 0 | 0 | 0 | 114.4 | | |
| 113 | T | 37 | Very low | 37.5 | Very low | 146 Ų | 146 | 151.6 Ų | 151.6 | 90% | 0.896 | 77% | 0.771 | S | S | * | * | | | trans | -113 | 112.3 | 149.3 | -53.6 | 0 | 0 | 0 | 0 | 108 | N111 | N111-T113 PolarHBondContact O-N 3.47Š|
| 114 | T | 36 | Very low | 37.6 | Very low | 102 Ų | 102 | 153.9 Ų | 153.9 | 63% | 0.626 | 77% | 0.774 | S | S | * | * | | | trans | -73.1 | 135.9 | -171.6 | -45.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 115 | N | 35.2 | Very low | 37.7 | Very low | 123 Ų | 123 | 153 Ų | 153 | 66% | 0.658 | 77% | 0.769 | S | S | * | * | | | trans | 44 | 101.2 | 148.4 | -55.5 | -18 | 0 | 0 | 0 | 119.4 | | |
| 116 | H | 37.8 | Very low | 37.3 | Very low | 190 Ų | 190 | 154.3 Ų | 154.3 | 88% | 0.88 | 78% | 0.777 | S | S | * | * | | | | -136.6 | 99.4 | 127.6 | -86.5 | -63.9 | 0 | 0 | 0 | 109.5 | N118 | H116-N118 VanDerWaalsContact C-N 3.32Å; H116-N118 PolarHBondContact O-N 3.33Å |
| 117 | T | 37.1 | Very low | 37.2 | Very low | 118 Ų | 118 | 152.7 Ų | 152.7 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | | | trans | -58.2 | 87 | 166.3 | 0.1 | 0 | 0 | 0 | 0 | 109.2 | E119 | T117-E119 HydrophobicContact CG2-CG 4.49Å; T117-E119 PolarHBondContact O-N 2.76Å |
| 118 | N | 38.6 | Very low | 36.8 | Very low | 124 Ų | 124 | 153.5 Ų | 153.5 | 66% | 0.663 | 77% | 0.774 | S | S | * | * | | | trans | -89.3 | 94.8 | 154.2 | -81.7 | -19 | 0 | 0 | 0 | 106.5 | H116 Y120 | H116-N118 VanDerWaalsContact C-N 3.32Å; H116-N118 PolarHBondContact O-N 3.33Å; N118-Y120 HydrophobicContact CB-CD2 3.88Å; N118-Y120 HydrophobicContact CB-CE2 3.77Å; N118-Y120 PolarHBondContact O-N 3.05Å |
| 119 | E | 35.9 | Very low | 36.5 | Very low | 159 Ų | 159 | 154.9 Ų | 154.9 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -60.4 | 72.6 | 168.5 | -66 | -178.6 | 154.1 | 0 | 0 | 109.7 | T117 H121 | T117-E119 HydrophobicContact CG2-CG 4.49Å; T117-E119 PolarHBondContact O-N 2.76Å; E119-H121 PolarHBondContact O-N 2.79Å |
| 120 | Y | 39 | Very low | 36.1 | Very low | 198 Ų | 198 | 153.3 Ų | 153.3 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -72 | 102.3 | 162.1 | -78.7 | -81.7 | 0 | 0 | 0 | 106.8 | N118 K122 | N118-Y120 HydrophobicContact CB-CD2 3.88Å; N118-Y120 HydrophobicContact CB-CE2 3.77Å; N118-Y120 PolarHBondContact O-N 3.05Å; Y120-K122 PolarHBondContact O-N 2.93Å |
| 121 | H | 39.1 | Very low | 36.3 | Very low | 179 Ų | 179 | 152 Ų | 152 | 83% | 0.829 | 78% | 0.777 | S | S | * | * | | | trans | -36.6 | 102.5 | 175.5 | -66.7 | -73.3 | 0 | 0 | 0 | 111.4 | E119 S123 | E119-H121 PolarHBondContact O-N 2.79Å; H121-S123 PolarHBondContact O-N 2.89Å |
| 122 | K | 36.9 | Very low | 35.7 | Very low | 182 Ų | 182 | 151 Ų | 151 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -62.3 | 104.7 | 172.5 | -164.1 | 174.7 | -173.1 | 180 | 0 | 107 | Y120 K124 | Y120-K122 PolarHBondContact O-N 2.93Å; K122-K124 PolarHBondContact O-N 3.22Å |
| 123 | S | 43.1 | Very low | 35.7 | Very low | 103 Ų | 103 | 149.3 Ų | 149.3 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -48.9 | 124.3 | 172 | 52.5 | 0 | 0 | 0 | 0 | 108.6 | H121 N125 | H121-S123 PolarHBondContact O-N 2.89Å; S123-N125 PolarHBondContact O-N 2.71Å; S123-N125 VanDerWaalsContact O-N 3.11Å |
| 124 | K | 38.8 | Very low | 35.7 | Very low | 199 Ų | 199 | 150.2 Ų | 150.2 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | | | trans | -46.6 | 119.9 | 179.4 | -68.9 | 175.7 | 177.9 | 176.4 | 0 | 109 | K122 C126 | K122-K124 PolarHBondContact O-N 3.22Å; K124-C126 PolarHBondContact O-N 3.04Å; K124-C126 VanDerWaalsContact O-N 3.1Å |
| 125 | N | 37.1 | Very low | 35.6 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -43.8 | 118.3 | 173.8 | -80.4 | -20.7 | 0 | 0 | 0 | 109.3 | S123 T127 | S123-N125 PolarHBondContact O-N 2.71Å; S123-N125 VanDerWaalsContact O-N 3.11Å; N125-T127 PolarHBondContact O-N 2.84Å |
| 126 | C | 30.3 | Very low | 35.3 | Very low | 120 Ų | 120 | 152.4 Ų | 152.4 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -57.9 | 109.8 | 160.5 | -65.1 | 0 | 0 | 0 | 0 | 106.8 | K124 K128 | K124-C126 PolarHBondContact O-N 3.04Å; K124-C126 VanDerWaalsContact O-N 3.1Å; C126-K128 PolarHBondContact O-N 3Å |
| 127 | T | 32.4 | Very low | 34.8 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -57.5 | 105.7 | 167.2 | 14.4 | 0 | 0 | 0 | 0 | 107 | N125 Y129 | N125-T127 PolarHBondContact O-N 2.84Å; T127-Y129 PolarHBondContact O-N 3.33Å |
| 128 | K | 31.8 | Very low | 34.5 | Very low | 204 Ų | 204 | 154.3 Ų | 154.3 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | | | trans | -57.9 | 112.8 | 165.9 | -73.2 | 179.7 | 176.9 | 179.8 | 0 | 105.9 | C126 E130 | C126-K128 PolarHBondContact O-N 3Å; K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 3.41Å |
| 129 | Y | 29.4 | Very low | 34.2 | Very low | 217 Ų | 217 | 156 Ų | 156 | 85% | 0.851 | 80% | 0.801 | S | S | * | * | | | trans | -64.9 | 102.1 | 166.6 | -82.4 | -92.5 | 0 | 0 | 0 | 106.7 | T127 S131 | T127-Y129 PolarHBondContact O-N 3.33Å; Y129-S131 VanDerWaalsContact C-N 3.31Å; Y129-S131 PolarHBondContact O-N 2.87Å |
| 130 | E | 29.7 | Very low | 33.8 | Very low | 183 Ų | 183 | 156.6 Ų | 156.6 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | | | trans | -68.2 | 97.5 | 165.7 | -165.3 | 168.4 | -162.5 | 0 | 0 | 106 | K128 S132 | K128-E130 VanDerWaalsContact C-N 3.33Å; K128-E130 PolarHBondContact O-N 3.41Å; E130-S132 VanDerWaalsContact C-N 3.35Å; E130-S132 PolarHBondContact O-N 3.06Å |
| 131 | S | 37.1 | Very low | 33.2 | Very low | 113 Ų | 113 | 154.6 Ų | 154.6 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | | | trans | -67.4 | 97.6 | 173.5 | 41 | 0 | 0 | 0 | 0 | 107.8 | Y129 | Y129-S131 VanDerWaalsContact C-N 3.31Å; Y129-S131 PolarHBondContact O-N 2.87Å |
| 132 | S | 32.6 | Very low | 32.8 | Very low | 95 Ų | 95 | 154.9 Ų | 154.9 | 66% | 0.664 | 81% | 0.806 | S | S | * | * | | | trans | -50.9 | 137.1 | 171.6 | -65.4 | 0 | 0 | 0 | 0 | 110.3 | E130 L134 | E130-S132 VanDerWaalsContact C-N 3.35Å; E130-S132 PolarHBondContact O-N 3.06Å; S132-L134 PolarHBondContact O-N 2.81Å; S132-L134 VanDerWaalsContact O-N 3.09Å |
| 133 | P | 35.4 | Very low | 32.3 | Very low | 124 Ų | 124 | 150 Ų | 150 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | | | trans | -60.5 | 117.4 | 174.6 | 23.2 | -30.3 | 0 | 0 | 0 | 108.7 | S135 | P133-S135 PolarHBondContact O-N 3.4Š|
| 134 | L | 37 | Very low | 31.6 | Very low | 166 Ų | 166 | 153.9 Ų | 153.9 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | trans | -54.1 | 111.6 | 170.3 | -113.2 | 74.5 | 0 | 0 | 0 | 107.4 | S132 I136 | S132-L134 PolarHBondContact O-N 2.81Å; S132-L134 VanDerWaalsContact O-N 3.09Å; L134-I136 PolarHBondContact O-N 2.71Å |
| 135 | S | 33.7 | Very low | 31.2 | Very low | 115 Ų | 115 | 155.3 Ų | 155.3 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -63.5 | 111.1 | 173.6 | 44.5 | 0 | 0 | 0 | 0 | 108.4 | P133 N137 | P133-S135 PolarHBondContact O-N 3.4Å; S135-N137 PolarHBondContact O-N 3.48Å |
| 136 | I | 29.3 | Very low | 31.1 | Very low | 155 Ų | 155 | 158 Ų | 158 | 80% | 0.795 | 82% | 0.823 | S | S | * | * | | | trans | -56.8 | 102.2 | 165.9 | -60.5 | 159 | 0 | 0 | 0 | 106.4 | L134 | L134-I136 PolarHBondContact O-N 2.71Š|
| 137 | N | 27.5 | Very low | 31.2 | Very low | 149 Ų | 149 | 160.8 Ų | 160.8 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | | | trans | -179.7 | 135.9 | 147.5 | -94.6 | -37.9 | 0 | 0 | 0 | 112.4 | S135 | S135-N137 PolarHBondContact O-N 3.48Š|
| 138 | K | 30.8 | Very low | 31.3 | Very low | 199 Ų | 199 | 163.4 Ų | 163.4 | 87% | 0.865 | 83% | 0.828 | S | S | * | * | | | trans | 82.5 | 82.3 | 168.7 | -57.7 | 178.4 | 179.4 | -179.8 | 0 | 116.5 | | |
| 139 | L | 31.7 | Very low | 31.4 | Very low | 159 Ų | 159 | 163.9 Ų | 163.9 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | | | | -164.1 | 78.9 | 112.4 | -152.1 | 65.4 | 0 | 0 | 0 | 110.2 | Q141 | L139-Q141 PolarHBondContact O-N 3.02Š|
| 140 | I | 27.1 | Very low | 31.9 | Very low | 173 Ų | 173 | 158 Ų | 158 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | -87.9 | 87.1 | 163.7 | -58.2 | 170.6 | 0 | 0 | 0 | 105.9 | | |
| 141 | Q | 27.6 | Very low | 32.4 | Very low | 155 Ų | 155 | 157.9 Ų | 157.9 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | | | trans | -149.1 | 109.8 | 165.6 | -88.3 | -169.1 | 21.6 | 0 | 0 | 110.9 | L139 | L139-Q141 PolarHBondContact O-N 3.02Š|
| 142 | H | 28.9 | Very low | 32.3 | Very low | 185 Ų | 185 | 159.2 Ų | 159.2 | 86% | 0.856 | 81% | 0.805 | S | S | * | * | | | trans | 62.8 | 107.1 | 147.5 | -60.7 | -72.2 | 0 | 0 | 0 | 119.8 | | |
| 143 | G | 27.8 | Very low | 32.5 | Very low | 81 Ų | 81 | 161.7 Ų | 161.7 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | 169.1 | 66.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 144 | E | 28.2 | Very low | 32.5 | Very low | 183 Ų | 183 | 163.5 Ų | 163.5 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | | | trans | -60.8 | 145.1 | 170.5 | -64.5 | 178 | 148 | 0 | 0 | 111.2 | | |
| 145 | R | 29.9 | Very low | 32.6 | Very low | 230 Ų | 230 | 161 Ų | 161 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | | | trans | 72.9 | 75.5 | 162.3 | -66.3 | 179.8 | 168.9 | 155.2 | -1.8 | 118.4 | | |
| 146 | E | 34.2 | Very low | 33 | Very low | 193 Ų | 193 | 159.9 Ų | 159.9 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | | | | -131.3 | 87.4 | 127.9 | -77.1 | -165.9 | 157 | 0 | 0 | 108.1 | H148 | E146-H148 PolarHBondContact O-N 3.17Š|
| 147 | Q | 33.8 | Very low | 33.6 | Very low | 177 Ų | 177 | 158.8 Ų | 158.8 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -60.4 | 112.6 | 168.3 | -73.3 | -165.7 | -15.5 | 0 | 0 | 108 | R149 | Q147-R149 PolarHBondContact O-N 3.17Š|
| 148 | H | 33.3 | Very low | 34.3 | Very low | 176 Ų | 176 | 156.8 Ų | 156.8 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | trans | 6 | 82.1 | 148.3 | -57.2 | -84.1 | 0 | 0 | 0 | 113.8 | E146 P150 | E146-H148 PolarHBondContact O-N 3.17Å; H148-P150 WeakPolarHBondContact O-CD 3.1Å; H148-P150 VanDerWaalsContact O-N 3.11Å |
| 149 | R | 33.9 | Very low | 34.6 | Very low | 213 Ų | 213 | 152.2 Ų | 152.2 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -65.9 | 108.3 | 159.8 | -172.9 | 174.1 | 178.1 | 174.4 | -0.3 | 105.2 | Q147 Q151 | Q147-R149 PolarHBondContact O-N 3.17Å; R149-Q151 PolarHBondContact O-N 2.67Å |
| 150 | P | 39.8 | Very low | 34.9 | Very low | 94 Ų | 94 | 149.6 Ų | 149.6 | 61% | 0.61 | 73% | 0.734 | S | S | * | * | | | trans | -67.4 | 131.1 | -168.2 | -18.1 | 32.7 | 0 | 0 | 0 | 109.1 | H148 H152 | H148-P150 WeakPolarHBondContact O-CD 3.1Å; H148-P150 VanDerWaalsContact O-N 3.11Å; P150-H152 HydrophobicContact CB-CB 4.39Å; P150-H152 PolarHBondContact O-N 2.83Å |
| 151 | Q | 41.3 | Very low | 35.3 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | 16.9 | 173.9 | -68.5 | 177.2 | -24.7 | 0 | 0 | 113.9 | R149 | R149-Q151 PolarHBondContact O-N 2.67Š|
| 152 | H | 33.8 | Very low | 35.9 | Very low | 141 Ų | 141 | 147.2 Ų | 147.2 | 65% | 0.653 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -17.3 | -174.2 | -119.8 | -69.9 | 0 | 0 | 0 | 114.2 | P150 | P150-H152 HydrophobicContact CB-CB 4.39Å; P150-H152 PolarHBondContact O-N 2.83Å |
| 153 | E | 37.8 | Very low | 36.4 | Very low | 148 Ų | 148 | 143.7 Ų | 143.7 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -77.3 | -25.2 | 178.3 | -82.3 | -176.1 | 156.1 | 0 | 0 | 113.7 | I155 | E153-I155 PolarHBondContact O-N 3.09Å |
| 154 | Q | 35.3 | Very low | 36.8 | Very low | 162 Ų | 162 | 150 Ų | 150 | 76% | 0.757 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -72.7 | -29.1 | -179 | -81.3 | -173.2 | 2.6 | 0 | 0 | 113.2 | | |
| 155 | I | 38.9 | Very low | 37.3 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 57% | 0.574 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -74.3 | -31.3 | -177.8 | -61 | 175.6 | 0 | 0 | 0 | 111.4 | E153 L157 | E153-I155 PolarHBondContact O-N 3.09Å; I155-L157 PolarHBondContact O-N 3.17Å |
| 156 | V | 42.9 | Very low | 37.8 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 56% | 0.558 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -72.5 | -30 | -177.5 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | I158 | V156-I158 PolarHBondContact O-N 2.86Å |
| 157 | L | 41.3 | Very low | 37.7 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -73.4 | -28.7 | -176.2 | -139.5 | 78.9 | 0 | 0 | 0 | 113.4 | I155 | I155-L157 PolarHBondContact O-N 3.17Å |
| 158 | I | 41.6 | Very low | 38 | Very low | 108 Ų | 108 | 143 Ų | 143 | 55% | 0.554 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -71.2 | -38.8 | -176.6 | -60.5 | 176.1 | 0 | 0 | 0 | 110.9 | V156 N160 K161 | V156-I158 PolarHBondContact O-N 2.86Å; I158-N160 VanDerWaalsContact C-N 3.32Å; I158-N160 PolarHBondContact O-N 2.94Å; I158-K161 PolarHBondContact O-N 3.41Å |
| 159 | N | 37.5 | Very low | 38.2 | Very low | 102 Ų | 102 | 141.2 Ų | 141.2 | 55% | 0.545 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -69.2 | -28.3 | -178.1 | -75.2 | -15.6 | 0 | 0 | 0 | 113.5 | K161 | N159-K161 PolarHBondContact O-N 3.15Å |
| 160 | N | 39 | Very low | 38.2 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 56% | 0.561 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -73.9 | -23.6 | 177.1 | -84.3 | -23.9 | 0 | 0 | 0 | 113.7 | I158 | I158-N160 VanDerWaalsContact C-N 3.32Å; I158-N160 PolarHBondContact O-N 2.94Å |
| 161 | K | 34.3 | Very low | 38.1 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -76.8 | -36.7 | 176.3 | -88.4 | -171.7 | 173.5 | -175.5 | 0 | 112.9 | I158 N159 N163 R164 | I158-K161 PolarHBondContact O-N 3.41Å; N159-K161 PolarHBondContact O-N 3.15Å; K161-N163 VanDerWaalsContact C-N 3.34Å; K161-N163 PolarHBondContact O-N 3.19Å; K161-R164 PolarHBondContact O-N 3.27Å |
| 162 | I | 41.1 | Very low | 37.6 | Very low | 106 Ų | 106 | 134.9 Ų | 134.9 | 54% | 0.544 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -68 | -36.1 | -179.7 | -62.8 | 172 | 0 | 0 | 0 | 111.1 | | |
| 163 | N | 39.2 | Very low | 37.6 | Very low | 112 Ų | 112 | 134.4 Ų | 134.4 | 60% | 0.599 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -75 | -24.3 | -179.5 | -78 | -16.9 | 0 | 0 | 0 | 114.4 | K161 | K161-N163 VanDerWaalsContact C-N 3.34Å; K161-N163 PolarHBondContact O-N 3.19Å |
| 164 | R | 35.3 | Very low | 37.3 | Very low | 212 Ų | 212 | 134.2 Ų | 134.2 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -78.2 | -25.2 | 175.5 | -73.8 | -169.4 | 177.8 | -170.3 | 0.2 | 113.4 | K161 K166 Q167 | K161-R164 PolarHBondContact O-N 3.27Å; R164-K166 PolarHBondContact O-N 3.07Å; R164-Q167 PolarHBondContact O-N 3.13Å |
| 165 | L | 39.9 | Very low | 37.3 | Very low | 160 Ų | 160 | 131.7 Ų | 131.7 | 84% | 0.838 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -10 | -177.9 | -152.7 | 71.2 | 0 | 0 | 0 | 113.6 | Q167 | L165-Q167 VanDerWaalsContact C-N 3.31Å; L165-Q167 PolarHBondContact O-N 3.07Å |
| 166 | K | 40.4 | Very low | 36.9 | Very low | 173 Ų | 173 | 132 Ų | 132 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | -3.6 | 175.7 | -74.7 | -170.3 | 177.3 | -177.5 | 0 | 114.5 | R164 N168 | R164-K166 PolarHBondContact O-N 3.07Å; K166-N168 PolarHBondContact O-N 3.19Å |
| 167 | Q | 32.7 | Very low | 36.2 | Very low | 157 Ų | 157 | 133 Ų | 133 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -95.1 | 101.5 | -179 | -65.6 | -160.8 | -9.2 | 0 | 0 | 112.1 | R164 L165 | R164-Q167 PolarHBondContact O-N 3.13Å; L165-Q167 VanDerWaalsContact C-N 3.31Å; L165-Q167 PolarHBondContact O-N 3.07Å |
| 168 | N | 38.2 | Very low | 35.9 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 78% | 0.781 | 72% | 0.716 | S | S | * | * | | | trans | 54.9 | 64.2 | 142.5 | -55.5 | -0.8 | 0 | 0 | 0 | 117.7 | K166 T170 | K166-N168 PolarHBondContact O-N 3.19Å; N168-T170 PolarHBondContact O-N 3.39Å |
| 169 | T | 37.3 | Very low | 35.5 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 86% | 0.859 | 73% | 0.726 | S | S | * | * | | | trans | -84.1 | 88.3 | 149.6 | 36.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 170 | T | 33.9 | Very low | 35.2 | Very low | 115 Ų | 115 | 135 Ų | 135 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | -60.4 | 128.5 | 164.2 | -45.2 | 0 | 0 | 0 | 0 | 107.6 | N168 T172 | N168-T170 PolarHBondContact O-N 3.39Å; T170-T172 PolarHBondContact O-N 2.66Å |
| 171 | P | 38.9 | Very low | 35.1 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | | | trans | -64.9 | 107.5 | -178.7 | 20.9 | -28.7 | 0 | 0 | 0 | 110.2 | T173 | P171-T173 PolarHBondContact O-N 2.75Š|
| 172 | T | 31.1 | Very low | 35.2 | Very low | 127 Ų | 127 | 132.2 Ų | 132.2 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | | | trans | -64.8 | 105.1 | 170.7 | -53.5 | 0 | 0 | 0 | 0 | 108.4 | T170 L174 | T170-T172 PolarHBondContact O-N 2.66Å; T172-L174 HydrophobicContact CG2-CD1 4.47Å; T172-L174 PolarHBondContact O-N 3.21Å; T172-L174 VanDerWaalsContact O-N 3.17Å |
| 173 | T | 33.2 | Very low | 34.9 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | | | trans | -74.8 | 101.6 | 173.6 | -33.9 | 0 | 0 | 0 | 0 | 107.8 | P171 | P171-T173 PolarHBondContact O-N 2.75Š|
| 174 | L | 31 | Very low | 34.6 | Very low | 143 Ų | 143 | 133 Ų | 133 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | | | trans | -70.4 | 132 | 170.6 | -127 | 79.4 | 0 | 0 | 0 | 108.5 | T172 S176 | T172-L174 HydrophobicContact CG2-CD1 4.47Å; T172-L174 PolarHBondContact O-N 3.21Å; T172-L174 VanDerWaalsContact O-N 3.17Å; L174-S176 PolarHBondContact O-N 2.73Å; L174-S176 VanDerWaalsContact O-N 3.15Å |
| 175 | P | 34.8 | Very low | 34.6 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 71% | 0.708 | 76% | 0.757 | S | S | * | * | | | trans | -65.2 | 115 | 172.8 | 23.9 | -30.2 | 0 | 0 | 0 | 109.2 | T177 | P175-T177 VanDerWaalsContact C-N 3.29Å; P175-T177 PolarHBondContact O-N 3.26Å |
| 176 | S | 31.7 | Very low | 34.2 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | | | trans | -74.7 | 85.8 | 173.8 | 63.6 | 0 | 0 | 0 | 0 | 109.1 | L174 N178 | L174-S176 PolarHBondContact O-N 2.73Å; L174-S176 VanDerWaalsContact O-N 3.15Å; S176-N178 PolarHBondContact O-N 2.79Å |
| 177 | T | 28 | Very low | 33.8 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 69% | 0.687 | 75% | 0.753 | S | S | * | * | | | trans | -67.4 | 120.3 | 158.1 | -33.3 | 0 | 0 | 0 | 0 | 106.3 | P175 | P175-T177 VanDerWaalsContact C-N 3.29Å; P175-T177 PolarHBondContact O-N 3.26Å |
| 178 | N | 35.7 | Very low | 33.9 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | | | trans | 157.7 | 118.3 | 138.8 | -73 | -16.8 | 0 | 0 | 0 | 111.5 | S176 | S176-N178 PolarHBondContact O-N 2.79Š|
| 179 | T | 32.1 | Very low | 33.8 | Very low | 123 Ų | 123 | 125.9 Ų | 125.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | 53.2 | 89.8 | 139 | 53.9 | 0 | 0 | 0 | 0 | 118.2 | T181 | T179-T181 PolarHBondContact O-N 3.22Å; T179-T181 VanDerWaalsContact O-N 3.09Å |
| 180 | S | 30.4 | Very low | 33.7 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | | | trans | 1.6 | 91.9 | 138.1 | 178.9 | 0 | 0 | 0 | 0 | 116 | | |
| 181 | T | 37.7 | Very low | 33.8 | Very low | 122 Ų | 122 | 127.9 Ų | 127.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | | | trans | -133.5 | 106.4 | 142.3 | -18.3 | 0 | 0 | 0 | 0 | 107.2 | T179 N183 | T179-T181 PolarHBondContact O-N 3.22Å; T179-T181 VanDerWaalsContact O-N 3.09Å; T181-N183 PolarHBondContact O-N 3.01Å |
| 182 | S | 35.9 | Very low | 33.9 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | trans | -69.9 | 69.4 | -174.4 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | T184 | S182-T184 VanDerWaalsContact C-N 3.34Å; S182-T184 PolarHBondContact O-N 3.02Å |
| 183 | N | 34.9 | Very low | 34.1 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | -94.7 | 79.8 | 162.5 | -67.6 | -10.5 | 0 | 0 | 0 | 106.7 | T181 N185 | T181-N183 PolarHBondContact O-N 3.01Å; N183-N185 PolarHBondContact O-N 2.93Å |
| 184 | T | 32.8 | Very low | 34.3 | Very low | 104 Ų | 104 | 131 Ų | 131 | 64% | 0.638 | 76% | 0.755 | S | S | * | * | | | trans | -64.7 | 86.5 | 176.8 | -1.7 | 0 | 0 | 0 | 0 | 108.2 | S182 Q186 | S182-T184 VanDerWaalsContact C-N 3.34Å; S182-T184 PolarHBondContact O-N 3.02Å; T184-Q186 HydrophobicContact CG2-CG 4.4Å; T184-Q186 PolarHBondContact O-N 2.71Å |
| 185 | N | 35.4 | Very low | 34.5 | Very low | 153 Ų | 153 | 128 Ų | 128 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | | | trans | -64.3 | 83.3 | 161.6 | -72 | -33.3 | 0 | 0 | 0 | 106.9 | N183 C187 | N183-N185 PolarHBondContact O-N 2.93Å; N185-C187 PolarHBondContact O-N 2.89Å |
| 186 | Q | 31.8 | Very low | 34.6 | Very low | 154 Ų | 154 | 132.1 Ų | 132.1 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | trans | -70.7 | 102.2 | 174.5 | -65.9 | -162.9 | 37.9 | 0 | 0 | 107.4 | T184 I188 | T184-Q186 HydrophobicContact CG2-CG 4.4Å; T184-Q186 PolarHBondContact O-N 2.71Å; Q186-I188 VanDerWaalsContact C-N 3.31Å; Q186-I188 PolarHBondContact O-N 3.41Å |
| 187 | C | 32.7 | Very low | 34.9 | Very low | 116 Ų | 116 | 133.9 Ų | 133.9 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | | | trans | -62.1 | 97 | 163.9 | -82.2 | 0 | 0 | 0 | 0 | 108.1 | N185 T189 | N185-C187 PolarHBondContact O-N 2.89Å; C187-T189 PolarHBondContact O-N 2.76Å |
| 188 | I | 33.5 | Very low | 35.2 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | | | trans | -71.4 | 100.4 | 170 | -55.2 | 173.2 | 0 | 0 | 0 | 106.3 | Q186 S190 | Q186-I188 VanDerWaalsContact C-N 3.31Å; Q186-I188 PolarHBondContact O-N 3.41Å; I188-S190 VanDerWaalsContact C-N 3.3Å; I188-S190 PolarHBondContact O-N 2.78Å |
| 189 | T | 36.3 | Very low | 35.3 | Very low | 126 Ų | 126 | 132.1 Ų | 132.1 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | -71 | 93.2 | 165.4 | -48.1 | 0 | 0 | 0 | 0 | 107.3 | C187 K191 | C187-T189 PolarHBondContact O-N 2.76Å; T189-K191 PolarHBondContact O-N 2.73Å |
| 190 | S | 36.4 | Very low | 35.3 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | trans | -60.4 | 107.2 | 169.8 | 43.1 | 0 | 0 | 0 | 0 | 108.2 | I188 S192 | I188-S190 VanDerWaalsContact C-N 3.3Å; I188-S190 PolarHBondContact O-N 2.78Å; S190-S192 PolarHBondContact O-N 2.7Å; S190-S192 VanDerWaalsContact O-N 3.12Å |
| 191 | K | 36 | Very low | 35.8 | Very low | 193 Ų | 193 | 134.2 Ų | 134.2 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | | | trans | -57.5 | 119.7 | 168.8 | -73.2 | -177.7 | 178.7 | 178 | 0 | 106.9 | T189 I193 | T189-K191 PolarHBondContact O-N 2.73Å; K191-I193 PolarHBondContact O-N 3.16Å |
| 192 | S | 39.7 | Very low | 35.7 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | | | trans | -52.4 | 113.2 | 170.3 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | S190 Q194 | S190-S192 PolarHBondContact O-N 2.7Å; S190-S192 VanDerWaalsContact O-N 3.12Å; S192-Q194 PolarHBondContact O-N 3.34Å |
| 193 | I | 35.3 | Very low | 35.7 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | | | trans | -68.2 | 96.5 | 165.1 | -60.5 | 169.1 | 0 | 0 | 0 | 103.2 | K191 S195 | K191-I193 PolarHBondContact O-N 3.16Å; I193-S195 PolarHBondContact O-N 2.86Å |
| 194 | Q | 38.8 | Very low | 35.7 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | | | trans | -59.3 | 93 | 168.6 | -129.5 | 173.6 | 11.4 | 0 | 0 | 105.5 | S192 K196 | S192-Q194 PolarHBondContact O-N 3.34Å; Q194-K196 PolarHBondContact O-N 2.7Å |
| 195 | S | 34.1 | Very low | 36.1 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 57% | 0.566 | 76% | 0.755 | S | S | * | * | | | trans | -55.4 | 115.4 | 171.6 | 174.9 | 0 | 0 | 0 | 0 | 105.5 | I193 H197 | I193-S195 PolarHBondContact O-N 2.86Å; S195-H197 PolarHBondContact O-N 3.19Å |
| 196 | K | 37.8 | Very low | 36.2 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | | | trans | -66.1 | 71.3 | 168.6 | -71.2 | 177.4 | 177.6 | 177.7 | 0 | 107.5 | Q194 T198 | Q194-K196 PolarHBondContact O-N 2.7Å; K196-T198 PolarHBondContact O-N 3.07Å |
| 197 | H | 38.1 | Very low | 36.1 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 73% | 0.731 | 75% | 0.748 | S | S | * | * | | | trans | -74.4 | 87.7 | 152.1 | -92.1 | -65.8 | 0 | 0 | 0 | 105.9 | S195 T199 | S195-H197 PolarHBondContact O-N 3.19Å; H197-T199 PolarHBondContact O-N 2.71Å |
| 198 | T | 33.1 | Very low | 36.2 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 73% | 0.73 | 75% | 0.747 | S | S | * | * | | | trans | -60.3 | 80.6 | 159.6 | -45.2 | 0 | 0 | 0 | 0 | 106.7 | K196 | K196-T198 PolarHBondContact O-N 3.07Š|
| 199 | T | 37.6 | Very low | 36.2 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 56% | 0.564 | 75% | 0.745 | S | S | * | * | | | trans | -101.9 | 103.4 | 163.3 | -43.1 | 0 | 0 | 0 | 0 | 105.1 | H197 I201 | H197-T199 PolarHBondContact O-N 2.71Å; T199-I201 HydrophobicContact CG2-CD1 3.78Å; T199-I201 HydrophobicContact CG2-CG1 3.49Å; T199-I201 VanDerWaalsContact CG2-CG1 3.49Å; T199-I201 PolarHBondContact O-N 2.95Å |
| 200 | D | 33.6 | Very low | 36.2 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 83% | 0.834 | 75% | 0.746 | S | S | * | * | | | trans | -56.9 | 83 | 164.7 | -88.8 | -41.6 | 0 | 0 | 0 | 108.5 | | |
| 201 | I | 40.2 | Very low | 36.3 | Very low | 135 Ų | 135 | 137.3 Ų | 137.3 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | | | trans | -105.3 | 94.4 | 169.3 | -48.5 | -178.2 | 0 | 0 | 0 | 106.3 | T199 | T199-I201 HydrophobicContact CG2-CD1 3.78Å; T199-I201 HydrophobicContact CG2-CG1 3.49Å; T199-I201 VanDerWaalsContact CG2-CG1 3.49Å; T199-I201 PolarHBondContact O-N 2.95Å |
| 202 | T | 36 | Very low | 36.5 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | | | trans | -0.1 | 115.8 | 154.8 | -31.3 | 0 | 0 | 0 | 0 | 114.3 | N204 | T202-N204 PolarHBondContact O-N 2.8Š|
| 203 | K | 36.4 | Very low | 36.6 | Very low | 206 Ų | 206 | 129.9 Ų | 129.9 | 90% | 0.896 | 73% | 0.73 | S | S | * | * | | | trans | -39.7 | 99.2 | 170.5 | -69.3 | 173.9 | 178 | 176.2 | 0 | 111.1 | | |
| 204 | N | 34.6 | Very low | 37.1 | Very low | 128 Ų | 128 | 128.6 Ų | 128.6 | 68% | 0.684 | 73% | 0.725 | S | S | * | * | | | trans | -105 | 103.3 | 160.7 | -152.5 | -8.7 | 0 | 0 | 0 | 106.9 | T202 N206 S207 | T202-N204 PolarHBondContact O-N 2.8Å; N204-N206 PolarHBondContact O-N 3.38Å; N204-S207 PolarHBondContact O-N 2.64Å |
| 205 | P | 40.3 | Very low | 37.4 | Very low | 120 Ų | 120 | 126.5 Ų | 126.5 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | 3.8 | -168.2 | 24.4 | -32.4 | 0 | 0 | 0 | 115.2 | | |
| 206 | N | 38.1 | Very low | 37.6 | Very low | 142 Ų | 142 | 127.2 Ų | 127.2 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 7.4 | -179.5 | -68.3 | -2.9 | 0 | 0 | 0 | 114.5 | N204 I208 | N204-N206 PolarHBondContact O-N 3.38Å; N206-I208 PolarHBondContact O-N 2.92Å; N206-I208 VanDerWaalsContact O-N 3.11Å |
| 207 | S | 28.5 | Very low | 38 | Very low | 91 Ų | 91 | 122.9 Ų | 122.9 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | | | trans | -82.1 | 92.7 | 175.2 | -167.1 | 0 | 0 | 0 | 0 | 110.2 | N204 T209 | N204-S207 PolarHBondContact O-N 2.64Å; S207-T209 VanDerWaalsContact C-N 3.28Å; S207-T209 PolarHBondContact O-N 3.44Å |
| 208 | I | 34.9 | Very low | 38.1 | Very low | 150 Ų | 150 | 124.1 Ų | 124.1 | 77% | 0.769 | 71% | 0.71 | S | S | * | * | | | trans | -67.1 | 94 | 163.8 | -59.5 | 171.5 | 0 | 0 | 0 | 105.8 | N206 T210 | N206-I208 PolarHBondContact O-N 2.92Å; N206-I208 VanDerWaalsContact O-N 3.11Å; I208-T210 VanDerWaalsContact C-N 3.28Å; I208-T210 PolarHBondContact O-N 3.15Å |
| 209 | T | 33.7 | Very low | 38.3 | Very low | 117 Ų | 117 | 124 Ų | 124 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | | | trans | -68.3 | 92.9 | 167 | 43.1 | 0 | 0 | 0 | 0 | 107.5 | S207 S211 | S207-T209 VanDerWaalsContact C-N 3.28Å; S207-T209 PolarHBondContact O-N 3.44Å; T209-S211 PolarHBondContact O-N 2.87Å |
| 210 | T | 36.3 | Very low | 38.5 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | -65.3 | 90.3 | 164.7 | -12.5 | 0 | 0 | 0 | 0 | 106.5 | I208 G212 | I208-T210 VanDerWaalsContact C-N 3.28Å; I208-T210 PolarHBondContact O-N 3.15Å; T210-G212 PolarHBondContact O-N 2.91Å |
| 211 | S | 40 | Very low | 38.8 | Very low | 113 Ų | 113 | 123.9 Ų | 123.9 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | | | trans | -70.4 | 65.7 | 163.5 | 58.7 | 0 | 0 | 0 | 0 | 107.7 | T209 S213 | T209-S211 PolarHBondContact O-N 2.87Å; S211-S213 PolarHBondContact O-N 3.28Å |
| 212 | G | 38.7 | Very low | 39.3 | Very low | 52 Ų | 52 | 122.5 Ų | 122.5 | 54% | 0.536 | 72% | 0.72 | S | S | . | * | | | trans | -67.8 | 91.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | T210 N214 | T210-G212 PolarHBondContact O-N 2.91Å; G212-N214 PolarHBondContact O-N 3.21Å; G212-N214 PolarHBondContact O-OD1 2.77Å |
| 213 | S | 42.3 | Very low | 40.1 | Very low | 91 Ų | 91 | 126 Ų | 126 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | | | trans | -63.8 | 80.6 | 166.5 | -161 | 0 | 0 | 0 | 0 | 106.5 | S211 N215 | S211-S213 PolarHBondContact O-N 3.28Å; S213-N215 PolarHBondContact O-N 3.12Å; S213-N215 PolarHBondContact OG-OD1 3Å |
| 214 | N | 46 | Very low | 40.5 | Very low | 128 Ų | 128 | 126.6 Ų | 126.6 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | | | trans | -65.7 | 81 | 162.4 | 41.6 | -12.5 | 0 | 0 | 0 | 105.9 | G212 N216 | G212-N214 PolarHBondContact O-N 3.21Å; G212-N214 PolarHBondContact O-OD1 2.77Å; N214-N216 PolarHBondContact O-N 3.3Å |
| 215 | N | 44.5 | Very low | 40.7 | Very low | 130 Ų | 130 | 126.5 Ų | 126.5 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | | | trans | -64.6 | 66.9 | 168.7 | -65.4 | -19.9 | 0 | 0 | 0 | 107.9 | S213 S217 | S213-N215 PolarHBondContact O-N 3.12Å; S213-N215 PolarHBondContact OG-OD1 3Å; N215-S217 PolarHBondContact O-N 3.11Å |
| 216 | N | 39.4 | Very low | 40.8 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 51% | 0.513 | 75% | 0.747 | S | S | . | * | | | trans | -75.5 | 85.6 | 168 | -71.3 | -0.6 | 0 | 0 | 0 | 105.7 | N214 Y218 | N214-N216 PolarHBondContact O-N 3.3Å; N216-Y218 HydrophobicContact CB-CD2 4.43Å; N216-Y218 HydrophobicContact CB-CE1 4.44Å; N216-Y218 HydrophobicContact CB-CE2 3.63Å; N216-Y218 PolarHBondContact ND2-OH 3.34Å; N216-Y218 VanDerWaalsContact O-CD2 3.31Å; N216-Y218 WeakPolarHBondContact O-CD2 3.29Å; N216-Y218 WeakPolarHBondContact O-CE2 3.28Å; N216-Y218 PolarHBondContact O-N 3.23Å |
| 217 | S | 45 | Very low | 40.9 | Very low | 104 Ų | 104 | 126 Ų | 126 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | | | trans | -74.3 | 112.4 | 166.5 | 57.7 | 0 | 0 | 0 | 0 | 107.8 | N215 | N215-S217 PolarHBondContact O-N 3.11Š|
| 218 | Y | 39.9 | Very low | 41.7 | Very low | 184 Ų | 184 | 128.1 Ų | 128.1 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 120.7 | 168.9 | -53.8 | -84.8 | 0 | 0 | 0 | 107.6 | N216 | N216-Y218 HydrophobicContact CB-CD2 4.43Å; N216-Y218 HydrophobicContact CB-CE1 4.44Å; N216-Y218 HydrophobicContact CB-CE2 3.63Å; N216-Y218 PolarHBondContact ND2-OH 3.34Å; N216-Y218 VanDerWaalsContact O-CD2 3.31Å; N216-Y218 WeakPolarHBondContact O-CD2 3.29Å; N216-Y218 WeakPolarHBondContact O-CE2 3.28Å; N216-Y218 PolarHBondContact O-N 3.23Å |
| 219 | C | 38 | Very low | 42.1 | Very low | 116 Ų | 116 | 126.7 Ų | 126.7 | 78% | 0.784 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 119.3 | 171.4 | -68.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 220 | T | 43 | Very low | 42.6 | Very low | 127 Ų | 127 | 127.3 Ų | 127.3 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 123.7 | 169 | 52.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 221 | V | 38.4 | Very low | 43.1 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 123.3 | 172.7 | -164.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 222 | S | 50.7 | Low | 43.3 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -94.3 | 134.9 | 171.2 | -61.5 | 0 | 0 | 0 | 0 | 109 | | |
| 223 | F | 52.6 | Low | 43.7 | Very low | 198 Ų | 198 | 134.8 Ų | 134.8 | 87% | 0.868 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 134.7 | 171.4 | -57.6 | -86.8 | 0 | 0 | 0 | 108.5 | | |
| 224 | V | 44.7 | Very low | 43.8 | Very low | 217 Ų | 217 | 138.7 Ų | 138.7 | 100% | 1.315 | 78% | 0.778 | S | S | * | * | | | trans | -94.9 | 0 | 168.4 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | | |