| 1 | M | 47.1 | Very low | 67.9 | Low | 232 Ų | 232 | 136.5 Ų | 136.5 | 100% | 1.143 | 82% | 0.819 | S | S | * | * | | | | 0 | 136.7 | 0 | -61.7 | 166.9 | 86.6 | 0 | 0 | 107.1 | | |
| 2 | F | 64.5 | Low | 68.3 | Low | 214 Ų | 214 | 134.1 Ų | 134.1 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | | | trans | -137.9 | 134.5 | 171.1 | -76.2 | -77.9 | 0 | 0 | 0 | 108 | | |
| 3 | A | 67.6 | Low | 68.3 | Low | 89 Ų | 89 | 132.2 Ų | 132.2 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 146.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 4 | P | 72.1 | Confident | 67.4 | Low | 115 Ų | 115 | 134.8 Ų | 134.8 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.6 | 167.2 | 28.9 | -34 | 0 | 0 | 0 | 109.4 | | |
| 5 | P | 68.2 | Low | 66.5 | Low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 139.2 | 179 | 27.2 | -34.3 | 0 | 0 | 0 | 110.6 | A7 | P5-A7 PolarHBondContact O-N 3.36Å; P5-A7 VanDerWaalsContact O-N 3.16Å |
| 6 | T | 65.3 | Low | 65.3 | Low | 136 Ų | 136 | 133.1 Ų | 133.1 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 119.7 | 177.4 | -47.5 | 0 | 0 | 0 | 0 | 110.1 | L8 | T6-L8 PolarHBondContact O-N 3.41Š|
| 7 | A | 68.2 | Low | 64.1 | Low | 93 Ų | 93 | 129.1 Ų | 129.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 120.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | P5 | P5-A7 PolarHBondContact O-N 3.36Å; P5-A7 VanDerWaalsContact O-N 3.16Å |
| 8 | L | 68.5 | Low | 63.3 | Low | 160 Ų | 160 | 128.1 Ų | 128.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 143 | 172.3 | -67.6 | 172 | 0 | 0 | 0 | 109.4 | T6 | T6-L8 PolarHBondContact O-N 3.41Š|
| 9 | P | 78 | Confident | 62.5 | Low | 106 Ų | 106 | 129.8 Ų | 129.8 | 69% | 0.688 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 148.2 | 173.2 | 27.3 | -34.6 | 0 | 0 | 0 | 110.1 | | |
| 10 | P | 76.9 | Confident | 61.6 | Low | 116 Ų | 116 | 133 Ų | 133 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 144.2 | 174.4 | 27 | -34.4 | 0 | 0 | 0 | 110 | | |
| 11 | P | 71.1 | Confident | 60.8 | Low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 144.1 | 174.4 | 27.3 | -34.4 | 0 | 0 | 0 | 109.8 | | |
| 12 | P | 71.7 | Confident | 60.4 | Low | 108 Ų | 108 | 127 Ų | 127 | 70% | 0.701 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 148.5 | 175.8 | 26.6 | -34.5 | 0 | 0 | 0 | 110.2 | L14 | P12-L14 PolarHBondContact O-N 3.36Š|
| 13 | P | 68.4 | Low | 59.2 | Low | 109 Ų | 109 | 119.8 Ų | 119.8 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 138.2 | 174.5 | 26.3 | -34 | 0 | 0 | 0 | 109.6 | T15 | P13-T15 PolarHBondContact O-N 3.36Š|
| 14 | L | 56.5 | Low | 57.9 | Low | 169 Ų | 169 | 123 Ų | 123 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | | | trans | -71.9 | 77.8 | 176 | -66.5 | 177.3 | 0 | 0 | 0 | 110 | P12 S16 | P12-L14 PolarHBondContact O-N 3.36Å; L14-S16 PolarHBondContact O-N 3.27Å; L14-S16 VanDerWaalsContact O-N 3.09Å |
| 15 | T | 53.7 | Low | 56.4 | Low | 119 Ų | 119 | 123.7 Ų | 123.7 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | | | trans | -62.6 | 109.8 | 169.5 | 45.1 | 0 | 0 | 0 | 0 | 108.3 | P13 G17 | P13-T15 PolarHBondContact O-N 3.36Å; T15-G17 PolarHBondContact O-N 2.82Å |
| 16 | S | 47.8 | Very low | 54.8 | Low | 124 Ų | 124 | 123.2 Ų | 123.2 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | trans | -74.1 | 71.2 | 169.8 | -64.6 | 0 | 0 | 0 | 0 | 108.6 | L14 S18 | L14-S16 PolarHBondContact O-N 3.27Å; L14-S16 VanDerWaalsContact O-N 3.09Å; S16-S18 PolarHBondContact O-N 3.48Å |
| 17 | G | 44.6 | Very low | 53.8 | Low | 64 Ų | 64 | 119.7 Ų | 119.7 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | | | trans | -68.1 | 91.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T15 L19 | T15-G17 PolarHBondContact O-N 2.82Å; G17-L19 PolarHBondContact O-N 2.78Å |
| 18 | S | 49.6 | Very low | 52.5 | Low | 111 Ų | 111 | 120.6 Ų | 120.6 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -54.3 | 131.5 | 155.9 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | S16 Q20 | S16-S18 PolarHBondContact O-N 3.48Å; S18-Q20 PolarHBondContact O-N 3.43Å |
| 19 | L | 47.5 | Very low | 51.5 | Low | 162 Ų | 162 | 119.1 Ų | 119.1 | 85% | 0.848 | 77% | 0.769 | S | S | * | * | | | trans | -54.1 | 129.1 | 178 | -72.6 | 165.1 | 0 | 0 | 0 | 109.8 | G17 V21 | G17-L19 PolarHBondContact O-N 2.78Å; L19-V21 PolarHBondContact O-N 3.26Å |
| 20 | Q | 45.2 | Very low | 50.3 | Low | 192 Ų | 192 | 121.7 Ų | 121.7 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | | | trans | -70.8 | 111.7 | 177.8 | -70.9 | 176.8 | -38.1 | 0 | 0 | 109.4 | S18 P22 | S18-Q20 PolarHBondContact O-N 3.43Å; Q20-P22 WeakPolarHBondContact O-CD 3.17Å |
| 21 | V | 43.7 | Very low | 50.1 | Low | 110 Ų | 110 | 118.4 Ų | 118.4 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | | | trans | -87.4 | 116.5 | 162.7 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | L19 G23 | L19-V21 PolarHBondContact O-N 3.26Å; V21-G23 PolarHBondContact O-N 2.82Å |
| 22 | P | 40.1 | Very low | 50.4 | Low | 129 Ų | 129 | 120.2 Ų | 120.2 | 84% | 0.838 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -69.9 | 123.2 | 178 | -17.6 | 32 | 0 | 0 | 0 | 110.6 | Q20 | Q20-P22 WeakPolarHBondContact O-CD 3.17Š|
| 23 | G | 39.7 | Very low | 50.9 | Low | 63 Ų | 63 | 122.4 Ų | 122.4 | 65% | 0.649 | 75% | 0.745 | S | S | * | * | | | trans | 162.7 | -2.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | V21 | V21-G23 PolarHBondContact O-N 2.82Š|
| 24 | H | 38.4 | Very low | 51.7 | Low | 158 Ų | 158 | 119.4 Ų | 119.4 | 73% | 0.731 | 72% | 0.723 | S | S | * | * | | | trans | -133.2 | 122 | -170.4 | -42.7 | -47.6 | 0 | 0 | 0 | 111.9 | | |
| 25 | P | 42.4 | Very low | 53 | Low | 128 Ų | 128 | 116 Ų | 116 | 83% | 0.831 | 71% | 0.705 | S | S | * | * | | | trans | -76.4 | 166.3 | 176.3 | 32 | -34.6 | 0 | 0 | 0 | 112.4 | | |
| 26 | A | 34.1 | Very low | 54.6 | Low | 114 Ų | 114 | 113.9 Ų | 113.9 | 94% | 0.942 | 69% | 0.689 | S | S | * | * | | | trans | -67.8 | 139.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 27 | G | 43.3 | Very low | 56.6 | Low | 62 Ų | 62 | 115.3 Ų | 115.3 | 64% | 0.639 | 68% | 0.675 | S | S | * | * | | | trans | -144 | 134 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T29 | G27-T29 PolarHBondContact O-N 3.04Š|
| 28 | S | 41 | Very low | 58.8 | Low | 113 Ų | 113 | 117.9 Ų | 117.9 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | | | trans | -67.7 | 114.1 | -173.5 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 29 | T | 48.2 | Very low | 60.6 | Low | 129 Ų | 129 | 116.6 Ų | 116.6 | 79% | 0.791 | 65% | 0.652 | S | S | * | * | | | trans | -116.3 | 98.4 | 169.9 | 51.7 | 0 | 0 | 0 | 0 | 109.5 | G27 S31 | G27-T29 PolarHBondContact O-N 3.04Å; T29-S31 PolarHBondContact O-N 2.9Å |
| 30 | Y | 53.1 | Low | 62.7 | Low | 159 Ų | 159 | 114.4 Ų | 114.4 | 62% | 0.624 | 64% | 0.64 | S | S | * | * | | | trans | -54.7 | 130.6 | 164.4 | -97.9 | -105 | 0 | 0 | 0 | 108.9 | D34 | Y30-D34 HydrophobicContact CD1-CB 3.79Å; Y30-D34 HydrophobicContact CE1-CB 4.44Å |
| 31 | S | 71.6 | Confident | 64.6 | Low | 48 Ų | 48 | 109.7 Ų | 109.7 | 34% | 0.336 | 62% | 0.621 | S | S | . | * | | | trans | -67.3 | 149.7 | -179.4 | 81.9 | 0 | 0 | 0 | 0 | 110.3 | T29 Q33 D34 I35 | T29-S31 PolarHBondContact O-N 2.9Å; S31-Q33 PolarHBondContact O-N 3.39Å; S31-Q33 PolarHBondContact OG-N 2.93Å; S31-D34 WeakPolarHBondContact CB-OD2 3.21Å; S31-D34 WeakPolarHBondContact O-CB 3.31Å; S31-D34 PolarHBondContact O-N 3.08Å; S31-D34 PolarHBondContact OG-N 3.33Å; S31-D34 VanDerWaalsContact OG-N 3.1Å; S31-D34 PolarHBondContact OG-OD2 3.4Å; S31-I35 PolarHBondContact O-N 3.17Å; S31-I35 VanDerWaalsContact O-N 3.1Å |
| 32 | E | 78 | Confident | 66.4 | Low | 153 Ų | 153 | 108.5 Ų | 108.5 | 72% | 0.715 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -52.7 | -31.8 | 173 | -166.8 | -172.8 | 143.6 | 0 | 0 | 111.3 | I35 L36 | E32-I35 PolarHBondContact O-N 3.46Å; E32-L36 HydrophobicContact CG-CD1 4.24Å; E32-L36 WeakPolarHBondContact O-CB 3.35Å; E32-L36 WeakPolarHBondContact O-CD1 3.39Å; E32-L36 WeakPolarHBondContact O-CG 3.34Å; E32-L36 PolarHBondContact O-N 3.1Å |
| 33 | Q | 81.9 | Confident | 68.6 | Low | 155 Ų | 155 | 108.6 Ų | 108.6 | 72% | 0.724 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.8 | -35.7 | 176.6 | -54.7 | -176.2 | 6.9 | 0 | 0 | 113.1 | S31 R37 | S31-Q33 PolarHBondContact O-N 3.39Å; S31-Q33 PolarHBondContact OG-N 2.93Å; Q33-R37 VanDerWaalsContact O-CB 3.28Å; Q33-R37 WeakPolarHBondContact O-CB 3.45Å; Q33-R37 PolarHBondContact O-N 3.46Å |
| 34 | D | 84.6 | Confident | 70.7 | Confident | 46 Ų | 46 | 111.3 Ų | 111.3 | 25% | 0.246 | 59% | 0.592 | C | S | . | * | H | α-helix | trans | -69 | -43.1 | 173.9 | -69.5 | -70.2 | 0 | 0 | 0 | 111.2 | Y30 S31 R37 Q38 | Y30-D34 HydrophobicContact CD1-CB 3.79Å; Y30-D34 HydrophobicContact CE1-CB 4.44Å; S31-D34 WeakPolarHBondContact CB-OD2 3.21Å; S31-D34 WeakPolarHBondContact O-CB 3.31Å; S31-D34 PolarHBondContact O-N 3.08Å; S31-D34 PolarHBondContact OG-N 3.33Å; S31-D34 VanDerWaalsContact OG-N 3.1Å; S31-D34 PolarHBondContact OG-OD2 3.4Å; D34-R37 PolarHBondContact O-N 2.96Å; D34-R37 IonicContact OD1-CZ 3.54Å; D34-R37 IonicContact OD1-NH1 3.9Å; D34-R37 PolarHBondContact OD1-NH1 2.77Å; D34-R37 IonicContact OD1-NH2 3.14Å; D34-R37 PolarHBondContact OD1-NH2 2.82Å; D34-Q38 WeakPolarHBondContact O-CB 3.28Å; D34-Q38 PolarHBondContact O-N 3.02Å |
| 35 | I | 83.9 | Confident | 72.7 | Confident | 96 Ų | 96 | 108.8 Ų | 108.8 | 49% | 0.492 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.3 | -47.4 | 177.9 | -64.7 | 163.2 | 0 | 0 | 0 | 110.1 | S31 E32 R37 Q38 E39 | S31-I35 PolarHBondContact O-N 3.17Å; S31-I35 VanDerWaalsContact O-N 3.1Å; E32-I35 PolarHBondContact O-N 3.46Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-R37 PolarHBondContact O-N 3.19Å; I35-Q38 PolarHBondContact O-N 3.43Å; I35-E39 PolarHBondContact O-N 3.18Å |
| 36 | L | 88.8 | Confident | 74.2 | Confident | 76 Ų | 76 | 105.4 Ų | 105.4 | 40% | 0.398 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.2 | -40.4 | 173.4 | -74.5 | 166.5 | 0 | 0 | 0 | 112.2 | E32 L40 | E32-L36 HydrophobicContact CG-CD1 4.24Å; E32-L36 WeakPolarHBondContact O-CB 3.35Å; E32-L36 WeakPolarHBondContact O-CD1 3.39Å; E32-L36 WeakPolarHBondContact O-CG 3.34Å; E32-L36 PolarHBondContact O-N 3.1Å; L36-L40 WeakPolarHBondContact O-CB 3.18Å; L36-L40 VanDerWaalsContact O-CG 3.25Å; L36-L40 WeakPolarHBondContact O-CG 3.29Å; L36-L40 PolarHBondContact O-N 2.95Å |
| 37 | R | 89.6 | Confident | 75.9 | Confident | 154 Ų | 154 | 102.7 Ų | 102.7 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.9 | -37.7 | 177 | -169.2 | -178.4 | 69.7 | -109 | -3.4 | 111.8 | Q33 D34 I35 N41 | Q33-R37 VanDerWaalsContact O-CB 3.28Å; Q33-R37 WeakPolarHBondContact O-CB 3.45Å; Q33-R37 PolarHBondContact O-N 3.46Å; D34-R37 PolarHBondContact O-N 2.96Å; D34-R37 IonicContact OD1-CZ 3.54Å; D34-R37 IonicContact OD1-NH1 3.9Å; D34-R37 PolarHBondContact OD1-NH1 2.77Å; D34-R37 IonicContact OD1-NH2 3.14Å; D34-R37 PolarHBondContact OD1-NH2 2.82Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-R37 PolarHBondContact O-N 3.19Å; R37-N41 WeakPolarHBondContact O-CB 3.48Å; R37-N41 PolarHBondContact O-N 3.04Å |
| 38 | Q | 89.7 | Confident | 76.9 | Confident | 117 Ų | 117 | 104 Ų | 104 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.2 | -46 | 176.8 | -174.8 | 171.8 | -7.8 | 0 | 0 | 111.2 | D34 I35 L40 N41 T42 | D34-Q38 WeakPolarHBondContact O-CB 3.28Å; D34-Q38 PolarHBondContact O-N 3.02Å; I35-Q38 PolarHBondContact O-N 3.43Å; Q38-L40 PolarHBondContact O-N 3.1Å; Q38-N41 PolarHBondContact O-N 3.2Å; Q38-T42 PolarHBondContact O-N 3.15Å; Q38-T42 PolarHBondContact O-OG1 3.02Å; Q38-T42 VanDerWaalsContact O-OG1 3.04Å |
| 39 | E | 88.6 | Confident | 77.7 | Confident | 85 Ų | 85 | 102.6 Ų | 102.6 | 40% | 0.397 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60 | -45 | 176 | -162.9 | -161.5 | 171.8 | 0 | 0 | 111.5 | I35 N41 T42 R43 | I35-E39 PolarHBondContact O-N 3.18Å; E39-N41 VanDerWaalsContact C-N 3.33Å; E39-N41 PolarHBondContact O-N 3.46Å; E39-T42 PolarHBondContact O-N 2.97Å; E39-R43 HydrophobicContact CG-CG 4.5Å; E39-R43 WeakPolarHBondContact O-CB 3.49Å; E39-R43 WeakPolarHBondContact O-CG 3.16Å; E39-R43 PolarHBondContact O-N 2.89Å; E39-R43 IonicContact OE1-CZ 2.89Å; E39-R43 IonicContact OE1-NE 3.63Å; E39-R43 PolarHBondContact OE1-NE 3.12Å; E39-R43 IonicContact OE1-NH2 2.68Å; E39-R43 PolarHBondContact OE1-NH2 3.08Å |
| 40 | L | 90.4 | Very high | 78.2 | Confident | 116 Ų | 116 | 99.7 Ų | 99.7 | 61% | 0.607 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.2 | -38.2 | 176.4 | -74.2 | 171.5 | 0 | 0 | 0 | 112.4 | L36 Q38 F44 | L36-L40 WeakPolarHBondContact O-CB 3.18Å; L36-L40 VanDerWaalsContact O-CG 3.25Å; L36-L40 WeakPolarHBondContact O-CG 3.29Å; L36-L40 PolarHBondContact O-N 2.95Å; Q38-L40 PolarHBondContact O-N 3.1Å; L40-F44 VanDerWaalsContact O-CB 3.28Å; L40-F44 WeakPolarHBondContact O-CB 3.31Å; L40-F44 PolarHBondContact O-N 3.28Å |
| 41 | N | 85.6 | Confident | 78.2 | Confident | 93 Ų | 93 | 99.4 Ų | 99.4 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -49.1 | 175.4 | -168.4 | -57.7 | 0 | 0 | 0 | 111.3 | R37 Q38 E39 R43 F44 L45 | R37-N41 WeakPolarHBondContact O-CB 3.48Å; R37-N41 PolarHBondContact O-N 3.04Å; Q38-N41 PolarHBondContact O-N 3.2Å; E39-N41 VanDerWaalsContact C-N 3.33Å; E39-N41 PolarHBondContact O-N 3.46Å; N41-R43 PolarHBondContact O-N 2.87Å; N41-F44 WeakPolarHBondContact O-CB 3.44Å; N41-F44 PolarHBondContact O-N 3.06Å; N41-F44 VanDerWaalsContact O-N 3.14Å; N41-L45 WeakPolarHBondContact O-CG 3.02Å; N41-L45 PolarHBondContact O-N 3.33Å; N41-L45 WeakPolarHBondContact OD1-CD1 3.41Å |
| 42 | T | 81.8 | Confident | 77.2 | Confident | 84 Ų | 84 | 107.2 Ų | 107.2 | 52% | 0.515 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 176.8 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | Q38 E39 L45 A46 | Q38-T42 PolarHBondContact O-N 3.15Å; Q38-T42 PolarHBondContact O-OG1 3.02Å; Q38-T42 VanDerWaalsContact O-OG1 3.04Å; E39-T42 PolarHBondContact O-N 2.97Å; T42-L45 PolarHBondContact O-N 3.49Å; T42-A46 WeakPolarHBondContact O-CB 3.44Å; T42-A46 PolarHBondContact O-N 2.93Å |
| 43 | R | 86.1 | Confident | 75.5 | Confident | 131 Ų | 131 | 101.9 Ų | 101.9 | 49% | 0.494 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -39.7 | 174.8 | -74.9 | 177.9 | 178.5 | -119.5 | 11.3 | 112.2 | E39 N41 A46 S47 | E39-R43 HydrophobicContact CG-CG 4.5Å; E39-R43 WeakPolarHBondContact O-CB 3.49Å; E39-R43 WeakPolarHBondContact O-CG 3.16Å; E39-R43 PolarHBondContact O-N 2.89Å; E39-R43 IonicContact OE1-CZ 2.89Å; E39-R43 IonicContact OE1-NE 3.63Å; E39-R43 PolarHBondContact OE1-NE 3.12Å; E39-R43 IonicContact OE1-NH2 2.68Å; E39-R43 PolarHBondContact OE1-NH2 3.08Å; N41-R43 PolarHBondContact O-N 2.87Å; R43-A46 PolarHBondContact O-N 3.06Å; R43-S47 WeakPolarHBondContact O-CB 3.36Å; R43-S47 PolarHBondContact O-N 3.11Å; R43-S47 PolarHBondContact O-OG 2.89Å |
| 44 | F | 82.7 | Confident | 73.6 | Confident | 120 Ų | 120 | 99.6 Ų | 99.6 | 53% | 0.526 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -47.5 | 177.3 | -176.2 | -109.4 | 0 | 0 | 0 | 111.5 | L40 N41 A46 S47 Q48 | L40-F44 VanDerWaalsContact O-CB 3.28Å; L40-F44 WeakPolarHBondContact O-CB 3.31Å; L40-F44 PolarHBondContact O-N 3.28Å; N41-F44 WeakPolarHBondContact O-CB 3.44Å; N41-F44 PolarHBondContact O-N 3.06Å; N41-F44 VanDerWaalsContact O-N 3.14Å; F44-A46 PolarHBondContact O-N 3.39Å; F44-S47 PolarHBondContact O-N 2.94Å; F44-S47 PolarHBondContact O-OG 2.68Å; F44-Q48 PolarHBondContact O-N 3.45Å; F44-Q48 VanDerWaalsContact O-N 3.08Å |
| 45 | L | 80.8 | Confident | 71.6 | Confident | 105 Ų | 105 | 102.4 Ų | 102.4 | 55% | 0.55 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.4 | -44.9 | 174.7 | -68.6 | 171.7 | 0 | 0 | 0 | 112 | N41 T42 S47 Q48 S49 | N41-L45 WeakPolarHBondContact O-CG 3.02Å; N41-L45 PolarHBondContact O-N 3.33Å; N41-L45 WeakPolarHBondContact OD1-CD1 3.41Å; T42-L45 PolarHBondContact O-N 3.49Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 3.2Å; L45-Q48 PolarHBondContact O-N 3.14Å; L45-S49 PolarHBondContact O-N 3.42Å |
| 46 | A | 73.4 | Confident | 69.6 | Low | 58 Ų | 58 | 105.6 Ų | 105.6 | 48% | 0.479 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -66.7 | -29.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T42 R43 F44 S49 A50 | T42-A46 WeakPolarHBondContact O-CB 3.44Å; T42-A46 PolarHBondContact O-N 2.93Å; R43-A46 PolarHBondContact O-N 3.06Å; F44-A46 PolarHBondContact O-N 3.39Å; A46-S49 PolarHBondContact O-OG 3.07Å; A46-A50 PolarHBondContact O-N 3.37Å |
| 47 | S | 71.6 | Confident | 67.4 | Low | 56 Ų | 56 | 104.9 Ų | 104.9 | 39% | 0.392 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.4 | -35.9 | 174.3 | 68.7 | 0 | 0 | 0 | 0 | 112.5 | R43 F44 L45 S49 A50 D51 | R43-S47 WeakPolarHBondContact O-CB 3.36Å; R43-S47 PolarHBondContact O-N 3.11Å; R43-S47 PolarHBondContact O-OG 2.89Å; F44-S47 PolarHBondContact O-N 2.94Å; F44-S47 PolarHBondContact O-OG 2.68Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 3.2Å; S47-S49 VanDerWaalsContact C-N 3.31Å; S47-S49 PolarHBondContact O-N 3.14Å; S47-A50 PolarHBondContact O-N 3.16Å; S47-D51 PolarHBondContact O-N 3.08Å |
| 48 | Q | 64.5 | Low | 65.9 | Low | 90 Ų | 90 | 103.4 Ų | 103.4 | 42% | 0.421 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.9 | -24.2 | 178.5 | -71.9 | -160.6 | 9.1 | 0 | 0 | 114.1 | F44 L45 | F44-Q48 PolarHBondContact O-N 3.45Å; F44-Q48 VanDerWaalsContact O-N 3.08Å; L45-Q48 PolarHBondContact O-N 3.14Å |
| 49 | S | 57.1 | Low | 63.9 | Low | 84 Ų | 84 | 103.2 Ų | 103.2 | 59% | 0.587 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -79.9 | -26.6 | 172 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | L45 A46 S47 | L45-S49 PolarHBondContact O-N 3.42Å; A46-S49 PolarHBondContact O-OG 3.07Å; S47-S49 VanDerWaalsContact C-N 3.31Å; S47-S49 PolarHBondContact O-N 3.14Å |
| 50 | A | 57.6 | Low | 62.1 | Low | 68 Ų | 68 | 104.4 Ų | 104.4 | 56% | 0.562 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -70.1 | -51.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A46 S47 R52 G53 | A46-A50 PolarHBondContact O-N 3.37Å; S47-A50 PolarHBondContact O-N 3.16Å; A50-R52 PolarHBondContact O-N 2.97Å; A50-G53 PolarHBondContact O-N 3.23Å |
| 51 | D | 53.4 | Low | 59.8 | Low | 152 Ų | 152 | 108.8 Ų | 108.8 | 81% | 0.813 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -7 | -175.3 | -88.1 | -47.5 | 0 | 0 | 0 | 114.9 | S47 | S47-D51 PolarHBondContact O-N 3.08Š|
| 52 | R | 51.1 | Low | 58.1 | Low | 213 Ų | 213 | 112 Ų | 112 | 80% | 0.804 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | -3.4 | 171.2 | -68.6 | -177.1 | 178.4 | 150 | 2.3 | 113.7 | A50 | A50-R52 PolarHBondContact O-N 2.97Š|
| 53 | G | 41.9 | Very low | 56.2 | Low | 40 Ų | 40 | 119.9 Ų | 119.9 | 41% | 0.412 | 67% | 0.666 | S | S | . | * | | | trans | -86.5 | -8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | A50 S55 L56 | A50-G53 PolarHBondContact O-N 3.23Å; G53-S55 PolarHBondContact O-N 3.31Å; G53-L56 PolarHBondContact O-N 3.39Å |
| 54 | A | 42.7 | Very low | 54.2 | Low | 107 Ų | 107 | 119.5 Ų | 119.5 | 88% | 0.884 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 21.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 55 | S | 42.9 | Very low | 52.2 | Low | 106 Ų | 106 | 120.7 Ų | 120.7 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.3 | -13.3 | 179 | -171.9 | 0 | 0 | 0 | 0 | 116 | G53 | G53-S55 PolarHBondContact O-N 3.31Š|
| 56 | L | 40.7 | Very low | 50.3 | Low | 162 Ų | 162 | 123.8 Ų | 123.8 | 85% | 0.848 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -144.2 | 58.5 | -166.3 | -70.6 | 176 | 0 | 0 | 0 | 115.2 | G53 | G53-L56 PolarHBondContact O-N 3.39Š|
| 57 | G | 42.5 | Very low | 49.2 | Very low | 62 Ų | 62 | 126.2 Ų | 126.2 | 64% | 0.639 | 70% | 0.696 | S | S | * | * | | | trans | 73.1 | 168.6 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 58 | P | 58.4 | Low | 47.9 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | | | trans | -76.8 | 147.8 | 175.7 | 31.7 | -34.1 | 0 | 0 | 0 | 112 | | |
| 59 | P | 48.9 | Very low | 47.2 | Very low | 114 Ų | 114 | 133.4 Ų | 133.4 | 74% | 0.74 | 72% | 0.724 | S | S | * | * | | | trans | -70 | 134.7 | -176.8 | 27.5 | -34.5 | 0 | 0 | 0 | 112.6 | Y61 | P59-Y61 VanDerWaalsContact C-N 3.29Å; P59-Y61 PolarHBondContact O-N 2.86Å |
| 60 | P | 49.8 | Very low | 46.3 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -86 | 49.3 | -165.3 | 36.5 | -39.6 | 0 | 0 | 0 | 114.4 | | |
| 61 | Y | 41.6 | Very low | 46.2 | Very low | 208 Ų | 208 | 140.6 Ų | 140.6 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | | | trans | -131.2 | 27.9 | -176.2 | -68.1 | -71.6 | 0 | 0 | 0 | 115.4 | P59 | P59-Y61 VanDerWaalsContact C-N 3.29Å; P59-Y61 PolarHBondContact O-N 2.86Å |
| 62 | L | 50.1 | Low | 45.7 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | | | trans | -126 | 110 | 157.6 | -73.2 | 176.4 | 0 | 0 | 0 | 109.1 | T64 | L62-T64 PolarHBondContact O-N 3.18Š|
| 63 | R | 43 | Very low | 46 | Very low | 250 Ų | 250 | 138.1 Ų | 138.1 | 94% | 0.943 | 73% | 0.729 | S | S | * | * | | | trans | -77.4 | 76.2 | 176 | -175 | 178.8 | 176.5 | 163.4 | -2 | 109.2 | E65 | R63-E65 PolarHBondContact O-N 2.9Å; R63-E65 VanDerWaalsContact O-N 3.11Å |
| 64 | T | 44.4 | Very low | 46.2 | Very low | 123 Ų | 123 | 144.6 Ų | 144.6 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | trans | -59.2 | 113.3 | 165.4 | -63.1 | 0 | 0 | 0 | 0 | 108.2 | L62 F66 | L62-T64 PolarHBondContact O-N 3.18Å; T64-F66 PolarHBondContact O-N 3.45Å |
| 65 | E | 39.7 | Very low | 47 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 68% | 0.678 | 74% | 0.739 | S | S | * | * | | | trans | -68.4 | 118.3 | 171.9 | -170.9 | 172.9 | 165.5 | 0 | 0 | 108.8 | R63 H67 | R63-E65 PolarHBondContact O-N 2.9Å; R63-E65 VanDerWaalsContact O-N 3.11Å; E65-H67 PolarHBondContact O-N 3.14Å; E65-H67 PolarHBondContact O-ND1 3.46Å; E65-H67 IonicContact OE1-CE1 3.42Å; E65-H67 IonicContact OE2-CE1 3.53Å |
| 66 | F | 40.9 | Very low | 47.4 | Very low | 171 Ų | 171 | 147.5 Ų | 147.5 | 75% | 0.75 | 74% | 0.74 | S | S | * | * | | | trans | -73.2 | 71.6 | -173.9 | -174.8 | -101.7 | 0 | 0 | 0 | 111.3 | T64 Q68 | T64-F66 PolarHBondContact O-N 3.45Å; F66-Q68 HydrophobicContact CD1-CG 4.12Å; F66-Q68 HydrophobicContact CE1-CG 3.55Å; F66-Q68 HydrophobicContact CZ-CG 4.21Å; F66-Q68 PolarHBondContact O-N 3.2Å |
| 67 | H | 51.4 | Low | 48.2 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 50% | 0.5 | 73% | 0.73 | S | S | . | * | | | trans | -69.2 | 110.3 | 169.1 | -75 | 80.6 | 0 | 0 | 0 | 109.2 | E65 H69 | E65-H67 PolarHBondContact O-N 3.14Å; E65-H67 PolarHBondContact O-ND1 3.46Å; E65-H67 IonicContact OE1-CE1 3.42Å; E65-H67 IonicContact OE2-CE1 3.53Å; H67-H69 VanDerWaalsContact C-N 3.32Å; H67-H69 AromaticContact CD2-CE1 3.85Å; H67-H69 AromaticContact CD2-NE2 3.89Å; H67-H69 AromaticContact CG-NE2 3.96Å; H67-H69 PolarHBondContact O-N 3.11Å |
| 68 | Q | 43.7 | Very low | 48.4 | Very low | 168 Ų | 168 | 152.4 Ų | 152.4 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | | | trans | -71.1 | 89.2 | 168 | -72.7 | -169.4 | 56 | 0 | 0 | 109.8 | F66 | F66-Q68 HydrophobicContact CD1-CG 4.12Å; F66-Q68 HydrophobicContact CE1-CG 3.55Å; F66-Q68 HydrophobicContact CZ-CG 4.21Å; F66-Q68 PolarHBondContact O-N 3.2Å |
| 69 | H | 50.1 | Low | 48.5 | Very low | 129 Ų | 129 | 153.3 Ų | 153.3 | 60% | 0.597 | 74% | 0.735 | S | S | * | * | | | trans | -94.4 | 95.4 | 168.7 | -64.8 | -32 | 0 | 0 | 0 | 109.6 | H67 H71 | H67-H69 VanDerWaalsContact C-N 3.32Å; H67-H69 AromaticContact CD2-CE1 3.85Å; H67-H69 AromaticContact CD2-NE2 3.89Å; H67-H69 AromaticContact CG-NE2 3.96Å; H67-H69 PolarHBondContact O-N 3.11Å; H69-H71 PolarHBondContact O-N 3.47Å |
| 70 | Q | 38 | Very low | 48.4 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 76% | 0.762 | 74% | 0.74 | S | S | * | * | | | trans | -70.7 | 88.7 | 178.9 | -174.1 | -166.3 | 29.9 | 0 | 0 | 110.6 | Q72 | Q70-Q72 PolarHBondContact O-N 2.89Š|
| 71 | H | 55 | Low | 48.4 | Very low | 140 Ų | 140 | 156.2 Ų | 156.2 | 65% | 0.648 | 74% | 0.738 | S | S | * | * | | | trans | -88.6 | 100.4 | 174.2 | -65.7 | -54.4 | 0 | 0 | 0 | 111.1 | H69 H73 | H69-H71 PolarHBondContact O-N 3.47Å; H71-H73 PolarHBondContact O-N 2.87Å |
| 72 | Q | 43.9 | Very low | 48.5 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 76% | 0.762 | 73% | 0.734 | S | S | * | * | | | trans | -72.1 | 108.7 | 168.3 | -67.1 | -176 | -4.7 | 0 | 0 | 109.7 | Q70 | Q70-Q72 PolarHBondContact O-N 2.89Š|
| 73 | H | 55.5 | Low | 48.7 | Very low | 151 Ų | 151 | 155.2 Ų | 155.2 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | | | trans | -91.9 | 101.6 | 169.8 | -68.6 | -56.7 | 0 | 0 | 0 | 110.1 | H71 H75 | H71-H73 PolarHBondContact O-N 2.87Å; H73-H75 PolarHBondContact O-N 3.3Å |
| 74 | Q | 46.3 | Very low | 48.4 | Very low | 175 Ų | 175 | 148.5 Ų | 148.5 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | | | trans | -78.5 | 99.9 | 179.9 | -174.9 | 174.7 | 1.4 | 0 | 0 | 110.8 | T76 | Q74-T76 PolarHBondContact O-N 3.5Š|
| 75 | H | 61.1 | Low | 48.7 | Very low | 151 Ų | 151 | 152.2 Ų | 152.2 | 70% | 0.699 | 73% | 0.729 | S | S | * | * | | | trans | -74.7 | 106.2 | 175.6 | -68.6 | -73.8 | 0 | 0 | 0 | 111.6 | H73 H77 | H73-H75 PolarHBondContact O-N 3.3Å; H75-H77 PolarHBondContact O-N 3.37Å; H75-H77 VanDerWaalsContact O-N 3.14Å |
| 76 | T | 51.4 | Low | 49.1 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | | | trans | -83.6 | 78 | 177.5 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | Q74 Q78 | Q74-T76 PolarHBondContact O-N 3.5Å; T76-Q78 PolarHBondContact O-N 2.86Å; T76-Q78 VanDerWaalsContact O-N 3.12Å |
| 77 | H | 56.2 | Low | 50.2 | Low | 140 Ų | 140 | 147.8 Ų | 147.8 | 65% | 0.648 | 73% | 0.728 | S | S | * | * | | | trans | -71.9 | 104.4 | 172.9 | -69.5 | -73.1 | 0 | 0 | 0 | 111.4 | H75 H79 | H75-H77 PolarHBondContact O-N 3.37Å; H75-H77 VanDerWaalsContact O-N 3.14Å; H77-H79 WeakPolarHBondContact CB-NE2 3.37Å; H77-H79 PolarHBondContact O-CD2 2.91Å; H77-H79 PolarHBondContact O-N 2.85Å; H77-H79 VanDerWaalsContact O-N 3.14Å |
| 78 | Q | 46.4 | Very low | 50 | Low | 188 Ų | 188 | 151.2 Ų | 151.2 | 88% | 0.879 | 74% | 0.742 | S | S | * | * | | | trans | -80.3 | 91.6 | 177.4 | -171.6 | 176.6 | 7.8 | 0 | 0 | 111.1 | T76 | T76-Q78 PolarHBondContact O-N 2.86Å; T76-Q78 VanDerWaalsContact O-N 3.12Å |
| 79 | H | 61.4 | Low | 50.4 | Low | 141 Ų | 141 | 147.4 Ų | 147.4 | 65% | 0.653 | 73% | 0.732 | S | S | * | * | | | trans | -88.3 | 119.1 | 170.9 | -56.5 | -77.1 | 0 | 0 | 0 | 110.4 | H77 | H77-H79 WeakPolarHBondContact CB-NE2 3.37Å; H77-H79 PolarHBondContact O-CD2 2.91Å; H77-H79 PolarHBondContact O-N 2.85Å; H77-H79 VanDerWaalsContact O-N 3.14Å |
| 80 | T | 46.7 | Very low | 50.4 | Low | 137 Ų | 137 | 149.6 Ų | 149.6 | 84% | 0.84 | 74% | 0.742 | S | S | * | * | | | trans | -107.6 | 128.6 | 169.2 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 81 | H | 50.7 | Low | 50.6 | Low | 148 Ų | 148 | 146.2 Ų | 146.2 | 69% | 0.685 | 74% | 0.742 | S | S | * | * | | | trans | -114.5 | 139.9 | -168.2 | -80.8 | -103.2 | 0 | 0 | 0 | 113.1 | | |
| 82 | Q | 42.3 | Very low | 50.4 | Low | 157 Ų | 157 | 147 Ų | 147 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | trans | 11 | 122.7 | 154.9 | -62.9 | -179.9 | -14.6 | 0 | 0 | 120.5 | | |
| 83 | H | 54.1 | Low | 50.5 | Low | 189 Ų | 189 | 144.5 Ų | 144.5 | 88% | 0.875 | 75% | 0.748 | S | S | * | * | | | | -137.2 | 118.1 | 123.2 | -57.9 | -65.4 | 0 | 0 | 0 | 106.1 | | |
| 84 | T | 38.2 | Very low | 50.1 | Low | 108 Ų | 108 | 143.3 Ų | 143.3 | 66% | 0.663 | 75% | 0.753 | S | S | * | * | | | | 72.6 | 92 | 50.7 | -53.5 | 0 | 0 | 0 | 0 | 113.2 | | |
| 85 | F | 50.7 | Low | 50 | Low | 202 Ų | 202 | 141.6 Ų | 141.6 | 89% | 0.886 | 76% | 0.755 | S | S | * | * | | | trans | -159.2 | 134.9 | 143.8 | -134.2 | -88.1 | 0 | 0 | 0 | 112 | | |
| 86 | T | 48.3 | Very low | 49.3 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 63% | 0.632 | 75% | 0.752 | S | S | * | * | | | trans | -150.8 | 139.7 | 176.1 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | | |
| 87 | P | 62.5 | Low | 49.3 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | | | trans | -112 | 113.4 | 147.4 | 32 | -22.4 | 0 | 0 | 0 | 108.9 | | |
| 88 | F | 48.1 | Very low | 49 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | | 83.2 | 146.3 | 73.9 | -88.8 | -107.4 | 0 | 0 | 0 | 114 | | |
| 89 | P | 52.7 | Low | 49 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 57% | 0.571 | 75% | 0.752 | S | S | * | * | | | | -141.9 | -133 | -125.9 | 44.7 | -23.9 | 0 | 0 | 0 | 114 | | |
| 90 | H | 49.1 | Very low | 48.2 | Very low | 175 Ų | 175 | 136.3 Ų | 136.3 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | trans | 79.1 | 139.5 | -179.8 | -44 | -66.5 | 0 | 0 | 0 | 114.1 | | |
| 91 | A | 41.8 | Very low | 48.1 | Very low | 93 Ų | 93 | 135 Ų | 135 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | | | cis | -138.3 | -167.1 | -0.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 92 | I | 50.3 | Low | 47.9 | Very low | 156 Ų | 156 | 132.5 Ų | 132.5 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | cis | -153.2 | 154.4 | 8.4 | -159.2 | 159 | 0 | 0 | 0 | 109.3 | | |
| 93 | P | 46.4 | Very low | 48.3 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | | | trans | -100.5 | 172.3 | -169.8 | 38 | -33.5 | 0 | 0 | 0 | 115.4 | | |
| 94 | P | 47.7 | Very low | 48.1 | Very low | 125 Ų | 125 | 126.5 Ų | 126.5 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | trans | -98.7 | 164.7 | -165.8 | 38.7 | -37 | 0 | 0 | 0 | 116.1 | | |
| 95 | T | 44.7 | Very low | 48.6 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | | | trans | -156 | 144.6 | 176.3 | -52.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 96 | A | 46.8 | Very low | 48.3 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 65% | 0.645 | 74% | 0.743 | S | S | * | * | | | cis | -170 | -171.4 | -30.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 97 | I | 50.1 | Low | 48.2 | Very low | 150 Ų | 150 | 127.5 Ų | 127.5 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | | | trans | 78.1 | 92.4 | 154.3 | -55.4 | 150.3 | 0 | 0 | 0 | 118.9 | | |
| 98 | M | 50.4 | Low | 47.6 | Very low | 179 Ų | 179 | 129 Ų | 129 | 88% | 0.882 | 74% | 0.741 | S | S | * | * | | | | 65.9 | 163.9 | 125 | -68.9 | -165.9 | 70.8 | 0 | 0 | 123.5 | | |
| 99 | P | 46.3 | Very low | 47.3 | Very low | 96 Ų | 96 | 125 Ų | 125 | 62% | 0.623 | 74% | 0.736 | S | S | * | * | | | trans | -124.9 | -173 | -157.6 | 44 | -30 | 0 | 0 | 0 | 116.6 | | |
| 100 | T | 45.1 | Very low | 46.7 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 80% | 0.798 | 75% | 0.747 | S | S | * | * | | | trans | 68.8 | 162.1 | 166.2 | 29.3 | 0 | 0 | 0 | 0 | 118 | | |
| 101 | P | 44.5 | Very low | 47.5 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | | | cis | -137.7 | 140 | -17.2 | 32 | -11.5 | 0 | 0 | 0 | 117.2 | | |
| 102 | A | 46 | Very low | 48.2 | Very low | 95 Ų | 95 | 129.1 Ų | 129.1 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | | | trans | 58.5 | -163.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 103 | P | 50.2 | Low | 48 | Very low | 119 Ų | 119 | 126 Ų | 126 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | | | | -106.8 | -145.5 | -79.5 | 38.9 | -26 | 0 | 0 | 0 | 110.2 | | |
| 104 | P | 49.7 | Very low | 48 | Very low | 102 Ų | 102 | 128 Ų | 128 | 66% | 0.662 | 75% | 0.752 | S | S | * | * | | | cis | -139.6 | -167.2 | -8.6 | 31.1 | -4.9 | 0 | 0 | 0 | 116.2 | | |
| 105 | M | 49.6 | Very low | 48 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | | | trans | 76.3 | 147.9 | 159.8 | -50.9 | -47.4 | -112.1 | 0 | 0 | 118.1 | | |
| 106 | L | 43.1 | Very low | 48.1 | Very low | 128 Ų | 128 | 124.8 Ų | 124.8 | 67% | 0.67 | 75% | 0.748 | S | S | * | * | | | cis | -125.6 | -79.4 | 20.4 | -82 | 166.7 | 0 | 0 | 0 | 116.9 | | |
| 107 | F | 48 | Very low | 48.2 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | | | trans | -152.7 | 166.3 | -142.2 | -74.9 | -23.1 | 0 | 0 | 0 | 111.2 | | |
| 108 | H | 48.4 | Very low | 47.9 | Very low | 151 Ų | 151 | 127.4 Ų | 127.4 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | cis | -169.5 | 168.5 | -8.1 | -108.6 | 153.2 | 0 | 0 | 0 | 107.6 | | |
| 109 | S | 42.4 | Very low | 47.7 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | cis | -161.7 | -168 | -16.7 | -159.5 | 0 | 0 | 0 | 0 | 108.8 | | |
| 110 | Y | 40.7 | Very low | 47.3 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 81% | 0.808 | 77% | 0.766 | S | S | * | * | | | trans | -128.4 | 175.5 | 172.5 | -89.1 | -98.7 | 0 | 0 | 0 | 111.6 | | |
| 111 | P | 66.1 | Low | 47.5 | Very low | 123 Ų | 123 | 130.1 Ų | 130.1 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | | -126.4 | 154.6 | 119.5 | 37 | -33.2 | 0 | 0 | 0 | 113.8 | | |
| 112 | P | 55.6 | Low | 47.4 | Very low | 112 Ų | 112 | 130.8 Ų | 130.8 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | | | trans | -125.6 | 177.1 | -168 | 42.8 | -29.2 | 0 | 0 | 0 | 116.1 | | |
| 113 | A | 45.7 | Very low | 47.5 | Very low | 92 Ų | 92 | 131.4 Ų | 131.4 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | 61.4 | 126.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 114 | V | 47.2 | Very low | 47.3 | Very low | 153 Ų | 153 | 132.3 Ų | 132.3 | 93% | 0.927 | 77% | 0.77 | S | S | * | * | | | | -138.4 | 151.9 | 115.8 | -83.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 115 | S | 47.4 | Very low | 47 | Very low | 132 Ų | 132 | 130.5 Ų | 130.5 | 92% | 0.923 | 77% | 0.771 | S | S | * | * | | | trans | -111.5 | 137 | 178 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 116 | G | 46.2 | Very low | 47.6 | Very low | 63 Ų | 63 | 129.4 Ų | 129.4 | 65% | 0.649 | 78% | 0.775 | S | S | * | * | | | trans | 159.8 | 143 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 117 | I | 50.3 | Low | 47.4 | Very low | 172 Ų | 172 | 134.1 Ų | 134.1 | 88% | 0.882 | 79% | 0.79 | S | S | * | * | | | trans | 77.9 | 138.2 | 167.3 | -52.8 | 175.7 | 0 | 0 | 0 | 114.5 | | |
| 118 | P | 43.9 | Very low | 46.9 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | | | trans | -109.5 | -177.3 | -152.5 | 44.8 | -34.7 | 0 | 0 | 0 | 113.7 | | |
| 119 | P | 45.2 | Very low | 46.9 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -91.6 | 130.1 | -144.4 | 34.2 | -36.2 | 0 | 0 | 0 | 116.3 | | |
| 120 | M | 38.8 | Very low | 47.1 | Very low | 179 Ų | 179 | 130.1 Ų | 130.1 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -148.6 | 158.6 | 155.1 | -74.2 | -161.8 | 77.9 | 0 | 0 | 110.7 | | |
| 121 | I | 48.7 | Very low | 47.4 | Very low | 156 Ų | 156 | 128 Ų | 128 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | | | trans | 77.6 | 122.8 | 175 | -49.4 | 176.2 | 0 | 0 | 0 | 114.8 | | |
| 122 | P | 42 | Very low | 46.2 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | | | trans | -100.1 | 144.1 | -172.3 | 37.3 | -34.3 | 0 | 0 | 0 | 114.9 | | |
| 123 | P | 49.1 | Very low | 45.5 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | -135.9 | 179 | 155 | 39.8 | -25.8 | 0 | 0 | 0 | 114.3 | | |
| 124 | T | 44.5 | Very low | 45.7 | Very low | 137 Ų | 137 | 130 Ų | 130 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | | | trans | 57.4 | 55.3 | 166.2 | 61.9 | 0 | 0 | 0 | 0 | 118.1 | | |
| 125 | G | 44.3 | Very low | 45.8 | Very low | 65 Ų | 65 | 128.2 Ų | 128.2 | 67% | 0.67 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 161.1 | 144.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 126 | P | 61.1 | Low | 46.1 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 156.3 | -172.4 | 28.5 | -35.5 | 0 | 0 | 0 | 114 | G128 | P126-G128 PolarHBondContact O-N 3.24Š|
| 127 | F | 39 | Very low | 46.1 | Very low | 227 Ų | 227 | 131.5 Ų | 131.5 | 100% | 0.996 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -54.6 | 126 | 170.1 | -95.8 | -115.6 | 0 | 0 | 0 | 111.1 | | |
| 128 | G | 38.9 | Very low | 45.9 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | trans | 175.2 | 35.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116 | P126 | P126-G128 PolarHBondContact O-N 3.24Š|
| 129 | S | 47.1 | Very low | 46.3 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -112.8 | 122.5 | 179.8 | 52.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 130 | L | 46.4 | Very low | 46.3 | Very low | 122 Ų | 122 | 131 Ų | 131 | 64% | 0.639 | 78% | 0.776 | S | S | * | * | | | trans | -86.8 | 117.7 | 178.3 | -66.1 | 148.4 | 0 | 0 | 0 | 110.3 | | |
| 131 | Q | 47.8 | Very low | 46.6 | Very low | 162 Ų | 162 | 128.7 Ų | 128.7 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | | | trans | -154.6 | 71 | 171.9 | -148.2 | 158 | -55.6 | 0 | 0 | 112.9 | | |
| 132 | G | 42 | Very low | 46.8 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -138.8 | 63.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 133 | A | 40.2 | Very low | 47.1 | Very low | 80 Ų | 80 | 129.3 Ų | 129.3 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 61.4 | 134 | 178.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | Q135 | A133-Q135 PolarHBondContact O-N 3.5Š|
| 134 | F | 49 | Very low | 47.1 | Very low | 211 Ų | 211 | 129.6 Ų | 129.6 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | S | Bend | trans | 64.3 | 21.1 | 170.6 | -52.6 | -70.7 | 0 | 0 | 0 | 119.3 | | |
| 135 | Q | 49.5 | Very low | 47 | Very low | 116 Ų | 116 | 128 Ų | 128 | 54% | 0.542 | 77% | 0.771 | S | S | . | * | P | Polyproline II helix | trans | -93.6 | 126.3 | 161.3 | -84.3 | -164.2 | -15.6 | 0 | 0 | 112.6 | A133 | A133-Q135 PolarHBondContact O-N 3.5Š|
| 136 | P | 54.2 | Low | 47 | Very low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 126.2 | 157.5 | 31.2 | -30.6 | 0 | 0 | 0 | 109.1 | | |
| 137 | K | 45.6 | Very low | 46.1 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 63% | 0.626 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 124 | -178.9 | -68.5 | -174.7 | 174.9 | -173.1 | 0 | 111.4 | | |
| 138 | T | 47.4 | Very low | 46.2 | Very low | 147 Ų | 147 | 129.9 Ų | 129.9 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 119.1 | 160.2 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 139 | S | 51.6 | Low | 46.3 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | | | trans | -139.7 | 150.3 | 174.9 | 53.5 | 0 | 0 | 0 | 0 | 110.7 | | |
| 140 | N | 44.9 | Very low | 46 | Very low | 147 Ų | 147 | 130.4 Ų | 130.4 | 79% | 0.786 | 77% | 0.765 | S | S | * | * | | | trans | -69.7 | 150.9 | -160.4 | -63.4 | -38.6 | 0 | 0 | 0 | 114.9 | I142 | N140-I142 VanDerWaalsContact C-N 3.34Å; N140-I142 PolarHBondContact O-N 3.16Å; N140-I142 VanDerWaalsContact O-N 3.14Å |
| 141 | P | 44.6 | Very low | 46.1 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 84% | 0.844 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -87.7 | 62.9 | 178.8 | 37.6 | -36.7 | 0 | 0 | 0 | 112.2 | | |
| 142 | I | 53.4 | Low | 45.7 | Very low | 143 Ų | 143 | 127.3 Ų | 127.3 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | | | trans | -149.6 | 103.3 | 167.9 | -161.8 | 71.3 | 0 | 0 | 0 | 110.9 | N140 | N140-I142 VanDerWaalsContact C-N 3.34Å; N140-I142 PolarHBondContact O-N 3.16Å; N140-I142 VanDerWaalsContact O-N 3.14Å |
| 143 | D | 48.7 | Very low | 45.9 | Very low | 149 Ų | 149 | 132.7 Ų | 132.7 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -170.2 | 148.9 | 130.4 | -115.1 | -31.3 | 0 | 0 | 0 | 113.3 | | |
| 144 | V | 49.9 | Very low | 45.9 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | | | trans | 1.2 | 111.5 | 164.1 | -176.4 | 0 | 0 | 0 | 0 | 116.7 | A146 | V144-A146 HydrophobicContact CG1-CB 4.18Š|
| 145 | A | 40.6 | Very low | 45.8 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 87% | 0.868 | 76% | 0.762 | S | S | * | * | | | cis | 65.1 | 55.1 | 48.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 146 | A | 45 | Very low | 45.8 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 68% | 0.678 | 78% | 0.777 | S | S | * | * | | | trans | -153.2 | 77.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | V144 | V144-A146 HydrophobicContact CG1-CB 4.18Š|
| 147 | R | 41.7 | Very low | 45.2 | Very low | 250 Ų | 250 | 136.7 Ų | 136.7 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | | | trans | 171.4 | 155.6 | 132.5 | -95.7 | 163.6 | 157 | -131.2 | -8.8 | 113.1 | | |
| 148 | P | 41.3 | Very low | 44.9 | Very low | 129 Ų | 129 | 138.9 Ų | 138.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -112.5 | 156.5 | -161.6 | 40 | -31.5 | 0 | 0 | 0 | 115.9 | | |
| 149 | G | 41.1 | Very low | 44.5 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | | | trans | 126.9 | 118.9 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 150 | T | 41.8 | Very low | 44.4 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | | | | 63.6 | 113.9 | 129.4 | -45 | 0 | 0 | 0 | 0 | 117.2 | | |
| 151 | V | 47.1 | Very low | 44.5 | Very low | 108 Ų | 108 | 139.6 Ų | 139.6 | 66% | 0.655 | 78% | 0.775 | S | S | * | * | | | cis | -142.6 | 147.2 | 18.4 | -173.7 | 0 | 0 | 0 | 0 | 109.8 | | |
| 152 | P | 41.1 | Very low | 44.9 | Very low | 112 Ų | 112 | 141.8 Ų | 141.8 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | | | trans | -85.4 | 124.1 | 168.1 | 33.2 | -31.6 | 0 | 0 | 0 | 112.4 | | |
| 153 | H | 45.6 | Very low | 44.9 | Very low | 189 Ų | 189 | 141.1 Ų | 141.1 | 88% | 0.875 | 78% | 0.781 | S | S | * | * | | | trans | -112.8 | 130.7 | 158.1 | -95.8 | -67.9 | 0 | 0 | 0 | 110.2 | | |
| 154 | T | 40 | Very low | 44.8 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | | | trans | -111.8 | 171.7 | -170.6 | 52.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 155 | L | 46 | Very low | 45.5 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 76% | 0.764 | 76% | 0.763 | S | S | * | * | | | trans | 72.4 | 116.5 | 169.3 | -86 | 66.1 | 0 | 0 | 0 | 118.4 | | |
| 156 | L | 50.6 | Low | 46.1 | Very low | 162 Ų | 162 | 141 Ų | 141 | 85% | 0.848 | 76% | 0.76 | S | S | * | * | | | trans | 65.6 | 100.4 | 136.5 | -53.9 | 172.7 | 0 | 0 | 0 | 119.3 | | |
| 157 | Q | 40.6 | Very low | 46.5 | Very low | 191 Ų | 191 | 146 Ų | 146 | 89% | 0.893 | 76% | 0.761 | S | S | * | * | | | | 178.4 | 87.2 | 108.9 | -171.9 | -179.5 | 46.1 | 0 | 0 | 112.1 | | |
| 158 | K | 39.8 | Very low | 47.2 | Very low | 191 Ų | 191 | 139.9 Ų | 139.9 | 83% | 0.83 | 75% | 0.754 | S | S | * | * | | | trans | -155.5 | 138.7 | 156.8 | -140.5 | 71.4 | 178.4 | -177.2 | 0 | 114 | | |
| 159 | D | 39.6 | Very low | 47.7 | Very low | 86 Ų | 86 | 140 Ų | 140 | 46% | 0.46 | 75% | 0.745 | S | S | . | * | | | trans | -28.5 | 139.6 | -179 | -43.9 | -15.9 | 0 | 0 | 0 | 117.9 | R161 | D159-R161 HydrophobicContact CB-CB 4.1Å; D159-R161 VanDerWaalsContact CB-CD 3.48Å; D159-R161 HydrophobicContact CB-CG 3.6Å; D159-R161 PolarHBondContact O-N 2.88Å; D159-R161 WeakPolarHBondContact OD2-CD 3.28Å; D159-R161 IonicContact OD2-NH1 2.67Å; D159-R161 PolarHBondContact OD2-NH1 3.4Å |
| 160 | P | 48.9 | Very low | 48.3 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 92% | 0.922 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -64.9 | 61.6 | 159.1 | -23 | 36 | 0 | 0 | 0 | 113.7 | | |
| 161 | R | 47.7 | Very low | 49 | Very low | 186 Ų | 186 | 148 Ų | 148 | 70% | 0.702 | 75% | 0.752 | S | S | * | * | | | trans | -108.6 | 24.2 | -179.1 | -75 | 173.1 | 74.1 | 171.5 | 2.6 | 113.6 | D159 T163 | D159-R161 HydrophobicContact CB-CB 4.1Å; D159-R161 VanDerWaalsContact CB-CD 3.48Å; D159-R161 HydrophobicContact CB-CG 3.6Å; D159-R161 PolarHBondContact O-N 2.88Å; D159-R161 WeakPolarHBondContact OD2-CD 3.28Å; D159-R161 IonicContact OD2-NH1 2.67Å; D159-R161 PolarHBondContact OD2-NH1 3.4Å; R161-T163 PolarHBondContact O-N 3.38Å; R161-T163 PolarHBondContact O-OG1 2.8Å |
| 162 | L | 53 | Low | 49.6 | Very low | 177 Ų | 177 | 152 Ų | 152 | 93% | 0.927 | 76% | 0.761 | S | S | * | * | | | trans | -58.4 | 112.5 | 167.4 | -77.5 | 173.3 | 0 | 0 | 0 | 108.7 | D164 | L162-D164 PolarHBondContact O-N 3.37Š|
| 163 | T | 53.2 | Low | 50.7 | Low | 128 Ų | 128 | 152.6 Ų | 152.6 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | -89.8 | 94 | -164.6 | -63.2 | 0 | 0 | 0 | 0 | 109.3 | R161 P165 | R161-T163 PolarHBondContact O-N 3.38Å; R161-T163 PolarHBondContact O-OG1 2.8Å; T163-P165 WeakPolarHBondContact O-CD 3.46Å |
| 164 | D | 45.9 | Very low | 52 | Low | 65 Ų | 65 | 146.2 Ų | 146.2 | 35% | 0.348 | 75% | 0.75 | S | S | . | * | | | trans | -69.4 | 114.2 | 173.3 | 176 | -0.7 | 0 | 0 | 0 | 110.5 | L162 F166 R167 | L162-D164 PolarHBondContact O-N 3.37Å; D164-F166 PolarHBondContact O-N 3.46Å; D164-F166 WeakPolarHBondContact OD1-CB 3.47Å; D164-F166 PolarHBondContact OD1-N 2.77Å; D164-R167 HydrophobicContact CB-CG 4.06Å; D164-R167 PolarHBondContact O-N 2.78Å; D164-R167 WeakPolarHBondContact OD2-CG 3.06Å; D164-R167 IonicContact OD2-NE 2.59Å; D164-R167 PolarHBondContact OD2-NE 3.11Å |
| 165 | P | 64.9 | Low | 53.6 | Low | 115 Ų | 115 | 151.1 Ų | 151.1 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -19.1 | -180 | -21.9 | 34.6 | 0 | 0 | 0 | 114.1 | T163 | T163-P165 WeakPolarHBondContact O-CD 3.46Š|
| 166 | F | 53.5 | Low | 55.4 | Low | 187 Ų | 187 | 153.4 Ų | 153.4 | 82% | 0.82 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -0.1 | -177.9 | -61.8 | -82.8 | 0 | 0 | 0 | 113.2 | D164 P168 | D164-F166 PolarHBondContact O-N 3.46Å; D164-F166 WeakPolarHBondContact OD1-CB 3.47Å; D164-F166 PolarHBondContact OD1-N 2.77Å; F166-P168 WeakPolarHBondContact O-CD 3.33Å |
| 167 | R | 54.4 | Low | 57 | Low | 186 Ų | 186 | 149 Ų | 149 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -82.4 | 117.5 | 169.4 | -77.1 | 174.6 | -169.3 | -110.8 | -6.9 | 110.2 | D164 M169 | D164-R167 HydrophobicContact CB-CG 4.06Å; D164-R167 PolarHBondContact O-N 2.78Å; D164-R167 WeakPolarHBondContact OD2-CG 3.06Å; D164-R167 IonicContact OD2-NE 2.59Å; D164-R167 PolarHBondContact OD2-NE 3.11Å; R167-M169 PolarHBondContact O-N 3.01Å |
| 168 | P | 55.7 | Low | 59.2 | Low | 122 Ų | 122 | 143.7 Ų | 143.7 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 116.6 | 168.4 | -21.3 | 33.7 | 0 | 0 | 0 | 108.4 | F166 L170 | F166-P168 WeakPolarHBondContact O-CD 3.33Å; P168-L170 PolarHBondContact O-N 2.88Å |
| 169 | M | 51.5 | Low | 61.8 | Low | 132 Ų | 132 | 140 Ų | 140 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 130.9 | 177.7 | -76.9 | 173.1 | -90.5 | 0 | 0 | 109.3 | R167 R171 | R167-M169 PolarHBondContact O-N 3.01Å; M169-R171 HydrophobicContact CB-CG 4.15Å; M169-R171 PolarHBondContact O-N 3.46Å |
| 170 | L | 54.5 | Low | 64.3 | Low | 181 Ų | 181 | 141.1 Ų | 141.1 | 95% | 0.948 | 72% | 0.721 | S | S | * | * | | | trans | -68.5 | 58.9 | 174.6 | -91.5 | 156.8 | 0 | 0 | 0 | 111.7 | P168 K172 | P168-L170 PolarHBondContact O-N 2.88Å; L170-K172 PolarHBondContact O-N 3.37Å |
| 171 | R | 56.4 | Low | 66.5 | Low | 189 Ų | 189 | 138 Ų | 138 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | | | trans | -68.2 | 116.7 | 165.6 | -67.8 | 178 | 176.1 | 165.7 | -2.2 | 106.1 | M169 | M169-R171 HydrophobicContact CB-CG 4.15Å; M169-R171 PolarHBondContact O-N 3.46Å |
| 172 | K | 59.9 | Low | 68.7 | Low | 194 Ų | 194 | 133.8 Ų | 133.8 | 84% | 0.843 | 69% | 0.687 | S | S | * | * | | | trans | -44.9 | 128 | 178.3 | -63.1 | 176.7 | -179.4 | 178.5 | 0 | 108.9 | L170 G174 | L170-K172 PolarHBondContact O-N 3.37Å; K172-G174 PolarHBondContact O-N 2.8Å; K172-G174 VanDerWaalsContact O-N 3.15Å |
| 173 | P | 64.2 | Low | 70.7 | Confident | 124 Ų | 124 | 128.9 Ų | 128.9 | 81% | 0.805 | 66% | 0.661 | S | S | * | * | | | trans | -48.1 | 124.9 | 179.6 | -30.5 | 36 | 0 | 0 | 0 | 110.5 | K175 | P173-K175 PolarHBondContact O-N 3.19Š|
| 174 | G | 71.7 | Confident | 72.7 | Confident | 55 Ų | 55 | 125.3 Ų | 125.3 | 57% | 0.567 | 64% | 0.644 | S | S | * | * | | | trans | -58.3 | 132.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | K172 W176 | K172-G174 PolarHBondContact O-N 2.8Å; K172-G174 VanDerWaalsContact O-N 3.15Å; G174-W176 PolarHBondContact O-N 3Å |
| 175 | K | 74.5 | Confident | 75.1 | Confident | 214 Ų | 214 | 129.5 Ų | 129.5 | 93% | 0.93 | 66% | 0.655 | S | S | * | * | | | trans | -66.7 | 101.2 | 170.7 | -70.7 | -172.5 | 176.4 | -173.2 | 0 | 107.9 | P173 C177 | P173-K175 PolarHBondContact O-N 3.19Å; K175-C177 PolarHBondContact O-N 2.8Å |
| 176 | W | 84 | Confident | 76.6 | Confident | 194 Ų | 194 | 128.5 Ų | 128.5 | 74% | 0.735 | 64% | 0.641 | S | S | * | * | | | trans | -61.9 | 127.6 | 174.3 | -68.7 | 76.5 | 0 | 0 | 0 | 108.9 | G174 H180 V181 | G174-W176 PolarHBondContact O-N 3Å; W176-H180 HydrophobicContact CE3-CB 4.05Å; W176-V181 HydrophobicContact CB-CG2 4.31Å |
| 177 | C | 83.2 | Confident | 78.6 | Confident | 70 Ų | 70 | 123.9 Ų | 123.9 | 47% | 0.473 | 62% | 0.623 | S | S | . | * | | | trans | -69.9 | 142.3 | 169.5 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | K175 M179 H180 V181 | K175-C177 PolarHBondContact O-N 2.8Å; C177-M179 PolarHBondContact O-N 2.97Å; C177-M179 VanDerWaalsContact O-N 3.12Å; C177-H180 WeakPolarHBondContact O-CB 3.28Å; C177-H180 PolarHBondContact O-N 3.47Å; C177-V181 PolarHBondContact O-N 3.11Å |
| 178 | A | 87.4 | Confident | 80.6 | Confident | 80 Ų | 80 | 120.3 Ų | 120.3 | 66% | 0.661 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -53.4 | -33.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | H180 V181 H182 | A178-H180 VanDerWaalsContact C-N 3.32Å; A178-H180 PolarHBondContact O-N 3.19Å; A178-V181 PolarHBondContact O-N 2.96Å; A178-H182 PolarHBondContact O-N 3.07Å |
| 179 | M | 92.8 | Very high | 82.4 | Confident | 114 Ų | 114 | 119.6 Ų | 119.6 | 56% | 0.562 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.1 | -39.7 | 173.1 | -169 | 64 | 71.9 | 0 | 0 | 112.9 | C177 H182 I183 | C177-M179 PolarHBondContact O-N 2.97Å; C177-M179 VanDerWaalsContact O-N 3.12Å; M179-H182 PolarHBondContact O-N 2.9Å; M179-I183 HydrophobicContact CG-CD1 3.95Å; M179-I183 WeakPolarHBondContact O-CB 3.25Å; M179-I183 WeakPolarHBondContact O-CD1 3.06Å; M179-I183 VanDerWaalsContact O-CG1 3.26Å; M179-I183 WeakPolarHBondContact O-CG1 3.45Å; M179-I183 PolarHBondContact O-N 3.37Å; M179-I183 HydrophobicContact SD-CD1 4.38Å |
| 180 | H | 93.7 | Very high | 84.5 | Confident | 109 Ų | 109 | 119.2 Ų | 119.2 | 51% | 0.505 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.5 | -37.6 | 177.4 | -63.9 | -179.3 | 0 | 0 | 0 | 111.5 | W176 C177 A178 A184 | W176-H180 HydrophobicContact CE3-CB 4.05Å; C177-H180 WeakPolarHBondContact O-CB 3.28Å; C177-H180 PolarHBondContact O-N 3.47Å; A178-H180 VanDerWaalsContact C-N 3.32Å; A178-H180 PolarHBondContact O-N 3.19Å; H180-A184 WeakPolarHBondContact O-CB 3.4Å; H180-A184 PolarHBondContact O-N 3.19Å |
| 181 | V | 93.8 | Very high | 86.4 | Confident | 76 Ų | 76 | 116.4 Ų | 116.4 | 46% | 0.461 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.6 | -44 | 176 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | W176 C177 A178 A184 W185 | W176-V181 HydrophobicContact CB-CG2 4.31Å; C177-V181 PolarHBondContact O-N 3.11Å; A178-V181 PolarHBondContact O-N 2.96Å; V181-A184 PolarHBondContact O-N 2.85Å; V181-W185 WeakPolarHBondContact O-CB 3.37Å; V181-W185 PolarHBondContact O-N 2.8Å |
| 182 | H | 94.7 | Very high | 87.9 | Confident | 97 Ų | 97 | 110.5 Ų | 110.5 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.5 | -50 | 176.3 | -173.9 | 82.1 | 0 | 0 | 0 | 112.3 | A178 M179 A184 W185 Q186 | A178-H182 PolarHBondContact O-N 3.07Å; M179-H182 PolarHBondContact O-N 2.9Å; H182-A184 PolarHBondContact O-N 2.88Å; H182-W185 PolarHBondContact O-N 3.38Å; H182-Q186 PolarHBondContact NE2-NE2 3.47Å; H182-Q186 VanDerWaalsContact NE2-NE2 3.11Å; H182-Q186 WeakPolarHBondContact O-CG 3.48Å; H182-Q186 PolarHBondContact O-N 3.25Å |
| 183 | I | 94.3 | Very high | 89.4 | Confident | 75 Ų | 75 | 107.6 Ų | 107.6 | 39% | 0.385 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 178.2 | -67.8 | 165.8 | 0 | 0 | 0 | 110.9 | M179 W185 Q186 I187 | M179-I183 HydrophobicContact CG-CD1 3.95Å; M179-I183 WeakPolarHBondContact O-CB 3.25Å; M179-I183 WeakPolarHBondContact O-CD1 3.06Å; M179-I183 VanDerWaalsContact O-CG1 3.26Å; M179-I183 WeakPolarHBondContact O-CG1 3.45Å; M179-I183 PolarHBondContact O-N 3.37Å; M179-I183 HydrophobicContact SD-CD1 4.38Å; I183-W185 PolarHBondContact O-N 3.39Å; I183-Q186 PolarHBondContact O-N 3.12Å; I183-I187 HydrophobicContact CG2-CD1 3.75Å; I183-I187 HydrophobicContact CG2-CG1 4.45Å; I183-I187 WeakPolarHBondContact O-CB 3.3Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.16Å; I183-I187 PolarHBondContact O-N 3.48Å |
| 184 | A | 95.9 | Very high | 90.4 | Very high | 52 Ų | 52 | 104.2 Ų | 104.2 | 43% | 0.43 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | H180 V181 H182 Y188 | H180-A184 WeakPolarHBondContact O-CB 3.4Å; H180-A184 PolarHBondContact O-N 3.19Å; V181-A184 PolarHBondContact O-N 2.85Å; H182-A184 PolarHBondContact O-N 2.88Å; A184-Y188 VanDerWaalsContact O-CB 3.25Å; A184-Y188 WeakPolarHBondContact O-CB 3.42Å; A184-Y188 PolarHBondContact O-N 2.9Å |
| 185 | W | 96.4 | Very high | 91.1 | Very high | 154 Ų | 154 | 107.1 Ų | 107.1 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.9 | -44.2 | 174.7 | 178.6 | 92.5 | 0 | 0 | 0 | 112 | V181 H182 I183 I187 Y188 H189 | V181-W185 WeakPolarHBondContact O-CB 3.37Å; V181-W185 PolarHBondContact O-N 2.8Å; H182-W185 PolarHBondContact O-N 3.38Å; I183-W185 PolarHBondContact O-N 3.39Å; W185-I187 PolarHBondContact O-N 2.89Å; W185-Y188 PolarHBondContact O-N 2.87Å; W185-H189 WeakPolarHBondContact O-CB 3.44Å; W185-H189 PolarHBondContact O-N 2.99Å |
| 186 | Q | 96.3 | Very high | 91.3 | Very high | 94 Ų | 94 | 104.6 Ų | 104.6 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -46.5 | 176 | -75.1 | -179.8 | -39.4 | 0 | 0 | 111.7 | H182 I183 H189 H190 | H182-Q186 PolarHBondContact NE2-NE2 3.47Å; H182-Q186 VanDerWaalsContact NE2-NE2 3.11Å; H182-Q186 WeakPolarHBondContact O-CG 3.48Å; H182-Q186 PolarHBondContact O-N 3.25Å; I183-Q186 PolarHBondContact O-N 3.12Å; Q186-H189 PolarHBondContact O-N 2.89Å; Q186-H190 VanDerWaalsContact O-CB 3.28Å; Q186-H190 WeakPolarHBondContact O-CB 3.26Å; Q186-H190 PolarHBondContact O-N 3.27Å |
| 187 | I | 95.5 | Very high | 90.7 | Very high | 89 Ų | 89 | 101.9 Ų | 101.9 | 46% | 0.456 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.9 | -45.5 | 177 | -68.6 | 168.2 | 0 | 0 | 0 | 110.5 | I183 W185 H190 Q191 | I183-I187 HydrophobicContact CG2-CD1 3.75Å; I183-I187 HydrophobicContact CG2-CG1 4.45Å; I183-I187 WeakPolarHBondContact O-CB 3.3Å; I183-I187 VanDerWaalsContact O-CG1 3.29Å; I183-I187 WeakPolarHBondContact O-CG1 3.16Å; I183-I187 PolarHBondContact O-N 3.48Å; W185-I187 PolarHBondContact O-N 2.89Å; I187-H190 PolarHBondContact O-N 3.41Å; I187-Q191 WeakPolarHBondContact O-CB 3.21Å; I187-Q191 WeakPolarHBondContact O-CG 3.25Å; I187-Q191 PolarHBondContact O-N 3.32Å |
| 188 | Y | 95.7 | Very high | 89.9 | Confident | 112 Ų | 112 | 105.8 Ų | 105.8 | 44% | 0.439 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 177.6 | 174.7 | -104.7 | 0 | 0 | 0 | 112.2 | A184 W185 H190 Q191 Q192 | A184-Y188 VanDerWaalsContact O-CB 3.25Å; A184-Y188 WeakPolarHBondContact O-CB 3.42Å; A184-Y188 PolarHBondContact O-N 2.9Å; W185-Y188 PolarHBondContact O-N 2.87Å; Y188-H190 PolarHBondContact O-N 2.93Å; Y188-Q191 PolarHBondContact O-N 3.41Å; Y188-Q192 HydrophobicContact CD1-CG 4.4Å; Y188-Q192 HydrophobicContact CD2-CG 4.37Å; Y188-Q192 HydrophobicContact CE1-CG 4Å; Y188-Q192 HydrophobicContact CE2-CG 3.98Å; Y188-Q192 WeakPolarHBondContact O-CB 3.49Å; Y188-Q192 WeakPolarHBondContact O-CG 3.38Å; Y188-Q192 PolarHBondContact O-N 2.95Å; Y188-Q192 PolarHBondContact OH-NE2 3.49Å |
| 189 | H | 95 | Very high | 88.6 | Confident | 107 Ų | 107 | 108.6 Ų | 108.6 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 178.9 | -170.4 | -103.7 | 0 | 0 | 0 | 111.8 | W185 Q186 Q192 K193 | W185-H189 WeakPolarHBondContact O-CB 3.44Å; W185-H189 PolarHBondContact O-N 2.99Å; Q186-H189 PolarHBondContact O-N 2.89Å; H189-Q192 PolarHBondContact O-N 3.48Å; H189-K193 WeakPolarHBondContact O-CB 3.3Å; H189-K193 PolarHBondContact O-N 2.9Å |
| 190 | H | 94.7 | Very high | 86.7 | Confident | 124 Ų | 124 | 106.9 Ų | 106.9 | 57% | 0.574 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.6 | -46.8 | 171.7 | -173.8 | 92.5 | 0 | 0 | 0 | 111.5 | Q186 I187 Y188 Q192 K193 V194 | Q186-H190 VanDerWaalsContact O-CB 3.28Å; Q186-H190 WeakPolarHBondContact O-CB 3.26Å; Q186-H190 PolarHBondContact O-N 3.27Å; I187-H190 PolarHBondContact O-N 3.41Å; Y188-H190 PolarHBondContact O-N 2.93Å; H190-Q192 VanDerWaalsContact C-N 3.31Å; H190-Q192 PolarHBondContact O-N 3.35Å; H190-K193 PolarHBondContact O-N 3.14Å; H190-K193 VanDerWaalsContact O-N 3.16Å; H190-V194 WeakPolarHBondContact O-CG2 3.22Å; H190-V194 PolarHBondContact O-N 3.38Å |
| 191 | Q | 93.7 | Very high | 84.2 | Confident | 122 Ų | 122 | 104.7 Ų | 104.7 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61 | -37.7 | 174.6 | -74.4 | -179.2 | 23.7 | 0 | 0 | 112.3 | I187 Y188 K195 | I187-Q191 WeakPolarHBondContact O-CB 3.21Å; I187-Q191 WeakPolarHBondContact O-CG 3.25Å; I187-Q191 PolarHBondContact O-N 3.32Å; Y188-Q191 PolarHBondContact O-N 3.41Å; Q191-K195 WeakPolarHBondContact O-CB 3.41Å; Q191-K195 PolarHBondContact O-N 2.93Å |
| 192 | Q | 88.8 | Confident | 82.4 | Confident | 64 Ų | 64 | 105.9 Ų | 105.9 | 30% | 0.299 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.7 | -34.8 | 174.5 | -71.6 | -71.8 | 18.4 | 0 | 0 | 112.4 | Y188 H189 H190 K196 | Y188-Q192 HydrophobicContact CD1-CG 4.4Å; Y188-Q192 HydrophobicContact CD2-CG 4.37Å; Y188-Q192 HydrophobicContact CE1-CG 4Å; Y188-Q192 HydrophobicContact CE2-CG 3.98Å; Y188-Q192 WeakPolarHBondContact O-CB 3.49Å; Y188-Q192 WeakPolarHBondContact O-CG 3.38Å; Y188-Q192 PolarHBondContact O-N 2.95Å; Y188-Q192 PolarHBondContact OH-NE2 3.49Å; H189-Q192 PolarHBondContact O-N 3.48Å; H190-Q192 VanDerWaalsContact C-N 3.31Å; H190-Q192 PolarHBondContact O-N 3.35Å; Q192-K196 VanDerWaalsContact O-CB 3.3Å; Q192-K196 WeakPolarHBondContact O-CB 3.19Å; Q192-K196 VanDerWaalsContact O-CG 3.25Å; Q192-K196 WeakPolarHBondContact O-CG 3.4Å; Q192-K196 PolarHBondContact O-N 3.12Å |
| 193 | K | 90.6 | Very high | 80.2 | Confident | 133 Ų | 133 | 109.1 Ų | 109.1 | 58% | 0.578 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.4 | -49 | 172.4 | -174.4 | 177.9 | 178.3 | -179.3 | 0 | 111.2 | H189 H190 K195 K196 Q197 | H189-K193 WeakPolarHBondContact O-CB 3.3Å; H189-K193 PolarHBondContact O-N 2.9Å; H190-K193 PolarHBondContact O-N 3.14Å; H190-K193 VanDerWaalsContact O-N 3.16Å; K193-K195 PolarHBondContact O-N 3.24Å; K193-K196 PolarHBondContact O-N 2.81Å; K193-Q197 WeakPolarHBondContact O-CB 3.26Å; K193-Q197 PolarHBondContact O-N 2.84Å |
| 194 | V | 86.8 | Confident | 78 | Confident | 53 Ų | 53 | 113 Ų | 113 | 32% | 0.321 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 176 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | H190 K196 Q197 M198 | H190-V194 WeakPolarHBondContact O-CG2 3.22Å; H190-V194 PolarHBondContact O-N 3.38Å; V194-K196 PolarHBondContact O-N 3.2Å; V194-Q197 CarbonylContact O-C 3.52Å; V194-Q197 PolarHBondContact O-N 3.32Å; V194-Q197 VanDerWaalsContact O-N 3.11Å; V194-M198 HydrophobicContact CG1-CG 4.19Å; V194-M198 HydrophobicContact CG1-SD 3.68Å; V194-M198 WeakPolarHBondContact O-CB 3.41Å; V194-M198 WeakPolarHBondContact O-CG 3.49Å; V194-M198 PolarHBondContact O-N 2.92Å |
| 195 | K | 85 | Confident | 75.6 | Confident | 117 Ų | 117 | 118.6 Ų | 118.6 | 51% | 0.509 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -61.4 | -43.3 | 175.2 | -175.6 | 173 | 177.7 | 176.5 | 0 | 111.8 | Q191 K193 Q197 M198 Q199 | Q191-K195 WeakPolarHBondContact O-CB 3.41Å; Q191-K195 PolarHBondContact O-N 2.93Å; K193-K195 PolarHBondContact O-N 3.24Å; K195-Q197 VanDerWaalsContact C-N 3.26Å; K195-Q197 PolarHBondContact O-N 3.47Å; K195-M198 PolarHBondContact O-N 3.43Å; K195-Q199 WeakPolarHBondContact O-CA 3.25Å; K195-Q199 WeakPolarHBondContact O-CB 3.5Å; K195-Q199 PolarHBondContact O-N 3.29Å |
| 196 | K | 79.2 | Confident | 73.2 | Confident | 160 Ų | 160 | 116.5 Ų | 116.5 | 70% | 0.696 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.9 | -27.6 | 174.6 | -76.4 | 176.7 | 178.8 | -175.4 | 0 | 113.3 | Q192 K193 V194 S200 | Q192-K196 VanDerWaalsContact O-CB 3.3Å; Q192-K196 WeakPolarHBondContact O-CB 3.19Å; Q192-K196 VanDerWaalsContact O-CG 3.25Å; Q192-K196 WeakPolarHBondContact O-CG 3.4Å; Q192-K196 PolarHBondContact O-N 3.12Å; K193-K196 PolarHBondContact O-N 2.81Å; V194-K196 PolarHBondContact O-N 3.2Å; K196-S200 WeakPolarHBondContact O-CB 3.49Å; K196-S200 PolarHBondContact O-N 2.89Å; K196-S200 PolarHBondContact O-OG 2.91Å |
| 197 | Q | 72.4 | Confident | 71 | Confident | 137 Ų | 137 | 121.1 Ų | 121.1 | 64% | 0.64 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -88.1 | -21.4 | 177.8 | -173.7 | 175.3 | -11.8 | 0 | 0 | 113.7 | K193 V194 K195 S200 | K193-Q197 WeakPolarHBondContact O-CB 3.26Å; K193-Q197 PolarHBondContact O-N 2.84Å; V194-Q197 CarbonylContact O-C 3.52Å; V194-Q197 PolarHBondContact O-N 3.32Å; V194-Q197 VanDerWaalsContact O-N 3.11Å; K195-Q197 VanDerWaalsContact C-N 3.26Å; K195-Q197 PolarHBondContact O-N 3.47Å; Q197-S200 WeakPolarHBondContact CA-OG 3.43Å; Q197-S200 PolarHBondContact O-OG 3.37Å |
| 198 | M | 65 | Low | 68.4 | Low | 152 Ų | 152 | 120.4 Ų | 120.4 | 75% | 0.749 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -95.7 | -21.4 | 172.9 | -65.8 | -176 | 76.2 | 0 | 0 | 112.5 | V194 K195 | V194-M198 HydrophobicContact CG1-CG 4.19Å; V194-M198 HydrophobicContact CG1-SD 3.68Å; V194-M198 WeakPolarHBondContact O-CB 3.41Å; V194-M198 WeakPolarHBondContact O-CG 3.49Å; V194-M198 PolarHBondContact O-N 2.92Å; K195-M198 PolarHBondContact O-N 3.43Å |
| 199 | Q | 59.7 | Low | 66 | Low | 139 Ų | 139 | 122.4 Ų | 122.4 | 65% | 0.65 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -102.2 | 4.7 | 172.6 | -158.8 | 172.7 | -4.2 | 0 | 0 | 111.9 | K195 D201 | K195-Q199 WeakPolarHBondContact O-CA 3.25Å; K195-Q199 WeakPolarHBondContact O-CB 3.5Å; K195-Q199 PolarHBondContact O-N 3.29Å; Q199-D201 PolarHBondContact O-N 3.45Å |
| 200 | S | 52.9 | Low | 63.4 | Low | 78 Ų | 78 | 123.5 Ų | 123.5 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -73.3 | 71 | 157.5 | 55.9 | 0 | 0 | 0 | 0 | 109.2 | K196 Q197 | K196-S200 WeakPolarHBondContact O-CB 3.49Å; K196-S200 PolarHBondContact O-N 2.89Å; K196-S200 PolarHBondContact O-OG 2.91Å; Q197-S200 WeakPolarHBondContact CA-OG 3.43Å; Q197-S200 PolarHBondContact O-OG 3.37Å |
| 201 | D | 41.4 | Very low | 61.3 | Low | 63 Ų | 63 | 123.5 Ų | 123.5 | 34% | 0.337 | 63% | 0.631 | S | S | . | * | | | trans | 23 | 101.8 | 162.7 | -154.9 | -17.7 | 0 | 0 | 0 | 118 | Q199 H203 K204 | Q199-D201 PolarHBondContact O-N 3.45Å; D201-H203 PolarHBondContact O-N 2.64Å; D201-H203 VanDerWaalsContact OD1-CA 3.3Å; D201-H203 WeakPolarHBondContact OD1-CA 3.4Å; D201-H203 WeakPolarHBondContact OD1-CB 3.35Å; D201-H203 PolarHBondContact OD1-N 2.81Å; D201-K204 HydrophobicContact CB-CB 4Å; D201-K204 PolarHBondContact O-N 3.06Å; D201-K204 PolarHBondContact OD1-N 3.32Å; D201-K204 WeakPolarHBondContact OD2-CB 3.29Å; D201-K204 VanDerWaalsContact OD2-CD 3.25Å; D201-K204 WeakPolarHBondContact OD2-CD 3.49Å; D201-K204 WeakPolarHBondContact OD2-CG 3.25Å |
| 202 | P | 56.4 | Low | 59.2 | Low | 102 Ų | 102 | 123.7 Ų | 123.7 | 66% | 0.662 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 0.9 | 168.8 | 28.4 | -33.9 | 0 | 0 | 0 | 114.1 | | |
| 203 | H | 49.1 | Very low | 57.4 | Low | 164 Ų | 164 | 128.4 Ų | 128.4 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | 15.4 | -178.9 | -54.5 | -57.9 | 0 | 0 | 0 | 114.3 | D201 | D201-H203 PolarHBondContact O-N 2.64Å; D201-H203 VanDerWaalsContact OD1-CA 3.3Å; D201-H203 WeakPolarHBondContact OD1-CA 3.4Å; D201-H203 WeakPolarHBondContact OD1-CB 3.35Å; D201-H203 PolarHBondContact OD1-N 2.81Å |
| 204 | K | 46.9 | Very low | 55.4 | Low | 158 Ų | 158 | 130 Ų | 130 | 69% | 0.687 | 67% | 0.665 | S | S | * | * | | | trans | -130.4 | 39.3 | 168.4 | -74.7 | -175.6 | -174.9 | -58.1 | 0 | 113.8 | D201 D206 | D201-K204 HydrophobicContact CB-CB 4Å; D201-K204 PolarHBondContact O-N 3.06Å; D201-K204 PolarHBondContact OD1-N 3.32Å; D201-K204 WeakPolarHBondContact OD2-CB 3.29Å; D201-K204 VanDerWaalsContact OD2-CD 3.25Å; D201-K204 WeakPolarHBondContact OD2-CD 3.49Å; D201-K204 WeakPolarHBondContact OD2-CG 3.25Å; K204-D206 PolarHBondContact O-N 2.98Å; K204-D206 VanDerWaalsContact O-N 3.07Å |
| 205 | L | 46.7 | Very low | 53.3 | Low | 169 Ų | 169 | 132.7 Ų | 132.7 | 89% | 0.885 | 69% | 0.686 | S | S | * | * | | | trans | -85.3 | 59.3 | 171.4 | -134.7 | 168.8 | 0 | 0 | 0 | 110 | | |
| 206 | D | 45.9 | Very low | 51.3 | Low | 110 Ų | 110 | 137.1 Ų | 137.1 | 59% | 0.588 | 70% | 0.7 | S | S | * | * | | | trans | -158.1 | 116.8 | -154.6 | -155.4 | 66.4 | 0 | 0 | 0 | 108.6 | K204 | K204-D206 PolarHBondContact O-N 2.98Å; K204-D206 VanDerWaalsContact O-N 3.07Å |
| 207 | F | 50.3 | Low | 49.9 | Very low | 191 Ų | 191 | 134.7 Ų | 134.7 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | S | Bend | cis | -133.8 | 172 | -5.5 | -84.5 | -74 | 0 | 0 | 0 | 109.7 | | |
| 208 | G | 39.6 | Very low | 49.1 | Very low | 73 Ų | 73 | 134.5 Ų | 134.5 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | S | Bend | trans | 176.7 | -38.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 209 | L | 45.9 | Very low | 48.1 | Very low | 155 Ų | 155 | 130 Ų | 130 | 81% | 0.812 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -97 | 126.2 | 173.9 | -62.8 | 179.9 | 0 | 0 | 0 | 110.1 | | |
| 210 | K | 41.4 | Very low | 48 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 57% | 0.565 | 71% | 0.71 | S | S | * | * | | | trans | -57.7 | 136.3 | 172.1 | -62.6 | 179.2 | 67.1 | -154 | 0 | 109.4 | E212 | K210-E212 WeakPolarHBondContact CE-OE2 3.35Å; K210-E212 IonicContact NZ-OE2 3.46Å; K210-E212 PolarHBondContact NZ-OE2 3.23Å; K210-E212 PolarHBondContact O-N 3.29Å |
| 211 | P | 49.5 | Very low | 47.4 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 30.3 | -174.4 | 31.6 | -37.4 | 0 | 0 | 0 | 114.6 | | |
| 212 | E | 50.1 | Low | 48 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 58% | 0.584 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.5 | -15.1 | -175.8 | -56.3 | -173.5 | 118.7 | 0 | 0 | 112.6 | K210 | K210-E212 WeakPolarHBondContact CE-OE2 3.35Å; K210-E212 IonicContact NZ-OE2 3.46Å; K210-E212 PolarHBondContact NZ-OE2 3.23Å; K210-E212 PolarHBondContact O-N 3.29Å |
| 213 | F | 50.1 | Low | 47.5 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 72% | 0.719 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -94.1 | -7.1 | -172 | -82.7 | -83.1 | 0 | 0 | 0 | 116 | | |
| 214 | L | 49.6 | Very low | 47 | Very low | 166 Ų | 166 | 135 Ų | 135 | 87% | 0.869 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -109 | -2.9 | 178.3 | -65.1 | 176.9 | 0 | 0 | 0 | 113.9 | | |
| 215 | S | 42.2 | Very low | 46.6 | Very low | 109 Ų | 109 | 131.8 Ų | 131.8 | 76% | 0.762 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -95.5 | 5.8 | 178.8 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 216 | R | 43.2 | Very low | 46.5 | Very low | 210 Ų | 210 | 130.5 Ų | 130.5 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -135.2 | 122 | 179.7 | -170.1 | 177.5 | -175.1 | -167.9 | 0.8 | 110 | | |
| 217 | P | 50.3 | Low | 46.3 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 71% | 0.708 | 75% | 0.751 | S | S | * | * | | | trans | -67.2 | 149.4 | 174.8 | 29 | -34.5 | 0 | 0 | 0 | 110.5 | G219 | P217-G219 PolarHBondContact O-N 2.81Š|
| 218 | P | 54.9 | Low | 45.8 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 87% | 0.87 | 75% | 0.747 | S | S | * | * | | | trans | -71.4 | 80.4 | 174.1 | 30.3 | -34.7 | 0 | 0 | 0 | 110.5 | | |
| 219 | G | 43.4 | Very low | 46.1 | Very low | 56 Ų | 56 | 132.1 Ų | 132.1 | 58% | 0.577 | 74% | 0.744 | S | S | * | * | | | trans | -65.7 | 143.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P217 S221 | P217-G219 PolarHBondContact O-N 2.81Å; G219-S221 PolarHBondContact O-N 2.79Å |
| 220 | P | 57.7 | Low | 46.2 | Very low | 123 Ų | 123 | 133 Ų | 133 | 80% | 0.799 | 74% | 0.744 | S | S | * | * | | | trans | -65.5 | 122.4 | -176 | 26.5 | -34.2 | 0 | 0 | 0 | 111.2 | L222 | P220-L222 PolarHBondContact O-N 3.09Š|
| 221 | S | 40.7 | Very low | 46.1 | Very low | 120 Ų | 120 | 132.6 Ų | 132.6 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | | | trans | -80 | 107.9 | 174.6 | -171.3 | 0 | 0 | 0 | 0 | 109.9 | G219 | G219-S221 PolarHBondContact O-N 2.79Š|
| 222 | L | 54 | Low | 46 | Very low | 135 Ų | 135 | 133.9 Ų | 133.9 | 71% | 0.707 | 75% | 0.747 | S | S | * | * | | | trans | -138.5 | 98.9 | 173.3 | -73.9 | 178.8 | 0 | 0 | 0 | 110 | P220 | P220-L222 PolarHBondContact O-N 3.09Š|
| 223 | F | 45.6 | Very low | 45.6 | Very low | 199 Ų | 199 | 132.3 Ų | 132.3 | 87% | 0.873 | 76% | 0.755 | S | S | * | * | | | trans | 64.6 | 145 | 173.1 | -48.1 | -82.8 | 0 | 0 | 0 | 116.1 | | |
| 224 | G | 37.8 | Very low | 45.1 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | | | cis | 114.9 | 38.2 | -2.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 225 | A | 40.2 | Very low | 44.8 | Very low | 90 Ų | 90 | 133.6 Ų | 133.6 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | | | trans | -146.3 | 95.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 226 | I | 44.7 | Very low | 44.6 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 72% | 0.723 | 76% | 0.758 | S | S | * | * | | | trans | 14.4 | 143.3 | 139.5 | 5.5 | 173.7 | 0 | 0 | 0 | 122 | | |
| 227 | H | 40.7 | Very low | 44.5 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 65% | 0.648 | 76% | 0.757 | S | S | * | * | | | trans | 69.5 | 149.1 | 163 | -47.4 | -64.5 | 0 | 0 | 0 | 117.3 | | |
| 228 | H | 39.5 | Very low | 44 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | | | cis | -160.1 | 163.4 | -23.5 | -99.7 | -27.7 | 0 | 0 | 0 | 108.9 | | |
| 229 | P | 46.4 | Very low | 43.2 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | -85.9 | 175.2 | -177.6 | 36.2 | -36.9 | 0 | 0 | 0 | 114.5 | | |
| 230 | H | 47.3 | Very low | 42.8 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | | | trans | 95.6 | 144.1 | -167.1 | -75.2 | -84.3 | 0 | 0 | 0 | 113.8 | | |
| 231 | D | 39.6 | Very low | 41.8 | Very low | 121 Ų | 121 | 136 Ų | 136 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | | | cis | -154.4 | 176.4 | -17.7 | -144.3 | -32.9 | 0 | 0 | 0 | 110.2 | | |
| 232 | L | 47.3 | Very low | 41.7 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | 18.4 | 142.5 | 154.1 | -79.9 | 159.6 | 0 | 0 | 0 | 122.4 | | |
| 233 | A | 41.4 | Very low | 40.7 | Very low | 92 Ų | 92 | 131.9 Ų | 131.9 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | | | trans | 77.3 | 97.4 | 152.1 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 234 | R | 40.8 | Very low | 40.4 | Very low | 234 Ų | 234 | 126.8 Ų | 126.8 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | | | | -14.9 | 148.1 | 129.5 | -82.4 | 178.2 | 174 | 176.2 | -2.3 | 115.2 | | |
| 235 | P | 42.9 | Very low | 40.2 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | | -142.9 | 176.8 | 50.4 | 40.8 | -22.8 | 0 | 0 | 0 | 118 | | |
| 236 | S | 38.9 | Very low | 40 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | | | trans | -58.9 | 148.1 | 175.1 | -32.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 237 | T | 40.9 | Very low | 40 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | | -173.3 | 140.4 | 125.6 | 19.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 238 | L | 39 | Very low | 39.9 | Very low | 140 Ų | 140 | 131.3 Ų | 131.3 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | | | trans | 53.9 | 108.9 | 141.5 | -55.6 | 169.4 | 0 | 0 | 0 | 122.2 | | |
| 239 | F | 39.1 | Very low | 40.1 | Very low | 193 Ų | 193 | 126.7 Ų | 126.7 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | 73.4 | 166.8 | 131 | -83.5 | -85 | 0 | 0 | 0 | 123.1 | | |
| 240 | S | 35 | Very low | 40.2 | Very low | 118 Ų | 118 | 128.5 Ų | 128.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | 81.9 | 122.5 | 165.7 | -66.4 | 0 | 0 | 0 | 0 | 118.8 | | |
| 241 | A | 37.1 | Very low | 40.3 | Very low | 109 Ų | 109 | 125.5 Ų | 125.5 | 90% | 0.901 | 79% | 0.789 | S | S | * | * | | | trans | -90 | 143.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 242 | A | 38.2 | Very low | 40.8 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -147.2 | 131.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 243 | G | 33.5 | Very low | 41 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 80% | 0.802 | S | S | * | * | | | cis | 83.4 | 84.6 | 7.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 244 | A | 37.9 | Very low | 41.4 | Very low | 92 Ų | 92 | 128.1 Ų | 128.1 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | S | Bend | trans | 37.5 | 89.1 | 165 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 245 | A | 33.6 | Very low | 42.2 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 80% | 0.802 | 80% | 0.799 | S | S | * | * | | | trans | 7.1 | 106 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 246 | H | 36.1 | Very low | 42.4 | Very low | 183 Ų | 183 | 122.1 Ų | 122.1 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | | | trans | -142.8 | 156.1 | 155.8 | -80.8 | -64.7 | 0 | 0 | 0 | 111.1 | | |
| 247 | P | 44.3 | Very low | 42.4 | Very low | 116 Ų | 116 | 125.4 Ų | 125.4 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | | | trans | -89.9 | 168.2 | -163 | 35.1 | -37.2 | 0 | 0 | 0 | 116.3 | | |
| 248 | T | 38.4 | Very low | 42.6 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -42.8 | 139.1 | 175 | 48.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 249 | G | 44.4 | Very low | 42.6 | Very low | 64 Ų | 64 | 125.5 Ų | 125.5 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | | | trans | -166.3 | 34.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 250 | T | 49.2 | Very low | 42.6 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | | | trans | 62.2 | 160.1 | 164.4 | 62 | 0 | 0 | 0 | 0 | 120.2 | | |
| 251 | P | 49.5 | Very low | 42.9 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | | | trans | -130.2 | 91.6 | -166.4 | 37.8 | -17.3 | 0 | 0 | 0 | 115.7 | | |
| 252 | F | 48.5 | Very low | 43.6 | Very low | 221 Ų | 221 | 128.4 Ų | 128.4 | 97% | 0.969 | 79% | 0.788 | S | S | * | * | | | trans | -154 | 111.2 | 162.7 | -91.3 | -74.4 | 0 | 0 | 0 | 111.4 | | |
| 253 | G | 52.9 | Low | 43.7 | Very low | 72 Ų | 72 | 130.4 Ų | 130.4 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | 160.2 | 134.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 254 | P | 48.7 | Very low | 44.4 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -89.9 | 148.6 | 178.6 | 34.8 | -33.8 | 0 | 0 | 0 | 113.4 | | |
| 255 | P | 59 | Low | 44.3 | Very low | 119 Ų | 119 | 131.9 Ų | 131.9 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | trans | -80.3 | 156.6 | 170.2 | 36.2 | -36.2 | 0 | 0 | 0 | 111.1 | | |
| 256 | P | 47.1 | Very low | 44.5 | Very low | 111 Ų | 111 | 132 Ų | 132 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | | | | -155.5 | 155.6 | 92.9 | 38.2 | -18.6 | 0 | 0 | 0 | 119 | | |
| 257 | H | 38.5 | Very low | 45 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | | | trans | 58.2 | 135.4 | 142.2 | -73.6 | -58.2 | 0 | 0 | 0 | 125.1 | | |
| 258 | H | 44.1 | Very low | 45.2 | Very low | 173 Ų | 173 | 132.2 Ų | 132.2 | 80% | 0.801 | 78% | 0.776 | S | S | * | * | | | trans | 85.3 | 162.6 | 130.1 | 91.9 | -49 | 0 | 0 | 0 | 125.4 | | |
| 259 | S | 40.5 | Very low | 45.5 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 77% | 0.77 | S | S | * | * | | | trans | 59.1 | 100.7 | 177.2 | 57.7 | 0 | 0 | 0 | 0 | 117.8 | | |
| 260 | N | 39.1 | Very low | 45.5 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | | | | 66.5 | 136.3 | 58 | -145.7 | 68 | 0 | 0 | 0 | 115.6 | | |
| 261 | F | 40.4 | Very low | 45.3 | Very low | 183 Ų | 183 | 135.2 Ų | 135.2 | 80% | 0.803 | 76% | 0.756 | S | S | * | * | | | trans | 90.6 | 146.1 | 170.3 | -55.9 | -71.7 | 0 | 0 | 0 | 120.8 | | |
| 262 | L | 50.8 | Low | 45 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 89% | 0.89 | 76% | 0.76 | S | S | * | * | | | trans | 77.2 | 134.8 | 166.5 | -50.2 | -171.8 | 0 | 0 | 0 | 119.4 | | |
| 263 | N | 41.6 | Very low | 44.6 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | trans | -120.7 | 131.2 | 178.6 | 163.1 | 48.1 | 0 | 0 | 0 | 109.6 | A265 | N263-A265 PolarHBondContact OD1-N 3.41Š|
| 264 | P | 47.2 | Very low | 44.2 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | | | trans | -121.6 | 127.6 | 144.5 | 34.2 | -23.3 | 0 | 0 | 0 | 110.1 | | |
| 265 | A | 35.7 | Very low | 43.7 | Very low | 79 Ų | 79 | 137 Ų | 137 | 65% | 0.653 | 74% | 0.742 | S | S | * | * | | | cis | 87.6 | 128.1 | 41.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | N263 | N263-A265 PolarHBondContact OD1-N 3.41Š|
| 266 | A | 39.1 | Very low | 43 | Very low | 99 Ų | 99 | 137.4 Ų | 137.4 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | | | trans | 74 | 172.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 267 | H | 46.9 | Very low | 42.7 | Very low | 175 Ų | 175 | 141.2 Ų | 141.2 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | | | trans | 73.9 | 118.9 | 174.4 | -125.8 | -114.3 | 0 | 0 | 0 | 116 | | |
| 268 | L | 48.1 | Very low | 42.8 | Very low | 129 Ų | 129 | 139 Ų | 139 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | | | cis | -147.7 | 144.1 | -13.3 | -84 | 177.8 | 0 | 0 | 0 | 107 | | |
| 269 | E | 45.3 | Very low | 42.7 | Very low | 165 Ų | 165 | 133.7 Ų | 133.7 | 77% | 0.771 | 74% | 0.74 | S | S | * | * | | | | 68.8 | 141.2 | 79.3 | -116.8 | -93.4 | 138.4 | 0 | 0 | 114.3 | | |
| 270 | P | 44.4 | Very low | 43.1 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 45% | 0.448 | 75% | 0.75 | S | S | . | * | | | | -133.7 | -171.7 | -51.1 | 43.7 | -31.5 | 0 | 0 | 0 | 113.4 | | |
| 271 | F | 43.4 | Very low | 43 | Very low | 185 Ų | 185 | 135.4 Ų | 135.4 | 81% | 0.811 | 75% | 0.754 | S | S | * | * | | | | 162.1 | 147.2 | 124.6 | -91.3 | -66.5 | 0 | 0 | 0 | 113.6 | | |
| 272 | N | 44.6 | Very low | 42.8 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | 54.1 | 85.3 | 167.9 | -68.5 | -31.5 | 0 | 0 | 0 | 119.3 | | |
| 273 | R | 38.7 | Very low | 42.5 | Very low | 213 Ų | 213 | 130.1 Ų | 130.1 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | -87.5 | 166.3 | 136.6 | -63.5 | -173.4 | 179.3 | -163.7 | 0.4 | 108.9 | | |
| 274 | P | 44.5 | Very low | 42.2 | Very low | 133 Ų | 133 | 127 Ų | 127 | 86% | 0.864 | 75% | 0.754 | S | S | * | * | | | | -122.4 | 155.1 | 92.8 | 35.8 | -34.2 | 0 | 0 | 0 | 113.3 | | |
| 275 | S | 39.7 | Very low | 42.2 | Very low | 69 Ų | 69 | 125.1 Ų | 125.1 | 48% | 0.483 | 76% | 0.756 | S | S | . | * | | | trans | -131.7 | 129 | 177.7 | 178.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 276 | T | 43.3 | Very low | 42.1 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -149.8 | 122.7 | 168.9 | -21.1 | 0 | 0 | 0 | 0 | 106 | | |
| 277 | F | 41.4 | Very low | 41.7 | Very low | 191 Ų | 191 | 128.7 Ų | 128.7 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | | | cis | -97.9 | 154.6 | 3.2 | -99.8 | -117.3 | 0 | 0 | 0 | 113.7 | | |
| 278 | T | 39.6 | Very low | 41.5 | Very low | 126 Ų | 126 | 131 Ų | 131 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -143.5 | 131.6 | 154.8 | -78.3 | 0 | 0 | 0 | 0 | 105.7 | | |
| 279 | G | 43.4 | Very low | 41.3 | Very low | 63 Ų | 63 | 128.7 Ų | 128.7 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | trans | -151.1 | 85.5 | -165.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 280 | L | 46.9 | Very low | 41.2 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | 60.5 | 112.3 | 159.7 | -47 | 179.5 | 0 | 0 | 0 | 115.8 | | |
| 281 | A | 37.4 | Very low | 41.5 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | | 78.6 | 164.1 | 56.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 282 | A | 37.7 | Very low | 41.5 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | trans | -68 | -179.1 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 283 | V | 44.5 | Very low | 41.1 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | | | trans | 74.2 | 124.6 | -156 | -170.4 | 0 | 0 | 0 | 0 | 109 | | |
| 284 | G | 33.8 | Very low | 41.5 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | cis | 117.6 | 77.9 | 26.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 285 | G | 47.5 | Very low | 41.1 | Very low | 76 Ų | 76 | 118.9 Ų | 118.9 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | | | trans | -143 | 51 | -155.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 286 | N | 34.3 | Very low | 41.4 | Very low | 163 Ų | 163 | 121.3 Ų | 121.3 | 87% | 0.872 | 81% | 0.805 | S | S | * | * | | | trans | -64.3 | 143.4 | 158.7 | -88.2 | 23.2 | 0 | 0 | 0 | 109.6 | | |
| 287 | A | 31.3 | Very low | 41 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | | | trans | 58.3 | 88.4 | 158.4 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 288 | F | 41.2 | Very low | 41.1 | Very low | 224 Ų | 224 | 117.4 Ų | 117.4 | 98% | 0.982 | 80% | 0.799 | S | S | * | * | | | trans | -152 | 130.3 | 139.9 | -95.8 | -78.9 | 0 | 0 | 0 | 108.1 | | |
| 289 | G | 44.3 | Very low | 41.1 | Very low | 79 Ų | 79 | 119 Ų | 119 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | | | cis | -176.6 | 124.2 | -12.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 290 | G | 43.2 | Very low | 41.1 | Very low | 78 Ų | 78 | 120.8 Ų | 120.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -174.6 | 70.6 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 291 | L | 50.4 | Low | 41 | Very low | 184 Ų | 184 | 118.3 Ų | 118.3 | 96% | 0.963 | 80% | 0.797 | S | S | * | * | | | trans | -37.3 | 136.3 | -179.9 | -48.9 | 171.2 | 0 | 0 | 0 | 114.8 | | |
| 292 | G | 43.4 | Very low | 41.4 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | cis | -171.7 | 178.3 | 2.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 293 | N | 37.5 | Very low | 41.4 | Very low | 161 Ų | 161 | 122.8 Ų | 122.8 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | | | trans | -90.7 | -170.9 | -179 | -123.5 | -13.7 | 0 | 0 | 0 | 110.9 | | |
| 294 | P | 45.9 | Very low | 41.3 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | | | cis | -123.6 | -169.9 | 4 | 45.1 | -28.6 | 0 | 0 | 0 | 112.9 | | |
| 295 | S | 37 | Very low | 41.7 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 80% | 0.796 | S | S | * | * | | | cis | -158.6 | 146 | 13.2 | -151.7 | 0 | 0 | 0 | 0 | 114.2 | | |
| 296 | V | 44.5 | Very low | 41.5 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | trans | 15.5 | 129.1 | 141.3 | -160.9 | 0 | 0 | 0 | 0 | 117.8 | | |
| 297 | T | 36.2 | Very low | 41.3 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | | -173.3 | 150.8 | 67.8 | -36.2 | 0 | 0 | 0 | 0 | 112 | | |
| 298 | P | 42.5 | Very low | 41.8 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | | | trans | -109.9 | 147.3 | 177.8 | 38.4 | -31.8 | 0 | 0 | 0 | 116.6 | | |
| 299 | N | 39.6 | Very low | 41.6 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | | | trans | -168.3 | 166.7 | 164.3 | -119.2 | -105 | 0 | 0 | 0 | 108.6 | | |
| 300 | S | 43.8 | Very low | 41.6 | Very low | 101 Ų | 101 | 128 Ų | 128 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | | | cis | -150.4 | -162.5 | 1.2 | -154.7 | 0 | 0 | 0 | 0 | 111 | | |
| 301 | V | 44.1 | Very low | 41.4 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 70% | 0.703 | 78% | 0.783 | S | S | * | * | | | trans | -102.3 | 145.5 | 172.2 | -68.4 | 0 | 0 | 0 | 0 | 113.1 | | |
| 302 | F | 47.3 | Very low | 40.7 | Very low | 212 Ų | 212 | 129.5 Ų | 129.5 | 93% | 0.93 | 77% | 0.768 | S | S | * | * | | | trans | 166.5 | 158.8 | 135 | -98.8 | -68.9 | 0 | 0 | 0 | 110.1 | | |
| 303 | G | 37.7 | Very low | 40.6 | Very low | 70 Ų | 70 | 134.9 Ų | 134.9 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | | | trans | -162 | 161.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 304 | H | 42.9 | Very low | 40.6 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 84% | 0.838 | 77% | 0.765 | S | S | * | * | | | trans | -136.3 | 172.7 | 168.9 | -156.1 | -92.4 | 0 | 0 | 0 | 110.5 | | |
| 305 | K | 40.7 | Very low | 40.1 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | | | trans | -121.5 | 169.7 | -161.4 | -55.6 | 170.5 | 177.4 | -71.1 | 0 | 113.6 | | |
| 306 | D | 43.3 | Very low | 40.9 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | | | trans | 91.3 | 140.5 | 146.7 | -55.4 | -42.2 | 0 | 0 | 0 | 122.1 | | |
| 307 | S | 31.4 | Very low | 41 | Very low | 118 Ų | 118 | 135.1 Ų | 135.1 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | 81.5 | 104.6 | 159.3 | -145.3 | 0 | 0 | 0 | 0 | 120.8 | | |
| 308 | P | 41.9 | Very low | 41.9 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 81% | 0.805 | 75% | 0.748 | S | S | * | * | | | trans | -106.8 | 149.1 | 167.6 | 37.7 | -29.6 | 0 | 0 | 0 | 113.6 | | |
| 309 | S | 35.1 | Very low | 42.9 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | | | trans | -155.7 | 134.2 | 163.9 | -159.5 | 0 | 0 | 0 | 0 | 114 | | |
| 310 | V | 44.7 | Very low | 43.4 | Very low | 122 Ų | 122 | 134 Ų | 134 | 74% | 0.739 | 74% | 0.735 | S | S | * | * | | | trans | 15 | 124.3 | 166.4 | -58.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 311 | Q | 40.1 | Very low | 44 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | | | | 178.1 | 146.1 | 92.8 | -91.5 | -160.7 | 10.5 | 0 | 0 | 113.2 | | |
| 312 | N | 34.3 | Very low | 44.7 | Very low | 118 Ų | 118 | 136.1 Ų | 136.1 | 63% | 0.631 | 72% | 0.719 | S | S | * | * | | | trans | 56 | 128.6 | 151.2 | -158.1 | 17.6 | 0 | 0 | 0 | 120 | | |
| 313 | F | 41 | Very low | 45.5 | Very low | 191 Ų | 191 | 132.6 Ų | 132.6 | 84% | 0.838 | 71% | 0.709 | S | S | * | * | | | | -174.6 | 154.8 | 113.4 | -92.5 | -57.1 | 0 | 0 | 0 | 113.1 | | |
| 314 | S | 37.8 | Very low | 46.3 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 71% | 0.714 | S | S | * | * | | | trans | -69.7 | 158.9 | -169.4 | -170.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 315 | N | 36.8 | Very low | 47 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 70% | 0.7 | S | S | * | * | | | trans | -53.4 | 133.2 | 176.2 | -103 | -52.2 | 0 | 0 | 0 | 113.7 | H317 | N315-H317 PolarHBondContact O-N 3.06Å; N315-H317 VanDerWaalsContact O-N 3.14Å |
| 316 | P | 52.9 | Low | 47.4 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 78% | 0.779 | 70% | 0.697 | S | S | * | * | | | trans | -77 | 97.9 | 170.2 | 31.6 | -32.5 | 0 | 0 | 0 | 110.3 | E318 | P316-E318 PolarHBondContact O-N 3.24Š|
| 317 | H | 46.3 | Very low | 47.8 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 54% | 0.542 | 68% | 0.681 | S | S | . | * | | | trans | -70.1 | 125.8 | -176.1 | -147.1 | -41.7 | 0 | 0 | 0 | 111.9 | N315 N321 R325 | N315-H317 PolarHBondContact O-N 3.06Å; N315-H317 VanDerWaalsContact O-N 3.14Å; H317-N321 PolarHBondContact CE1-ND2 2.84Å; H317-N321 PolarHBondContact CE1-OD1 3.42Å; H317-N321 PolarHBondContact ND1-ND2 3.2Å; H317-R325 PolarHBondContact CD2-NH2 3.49Å; H317-R325 PolarHBondContact NE2-NH2 3.11Å |
| 318 | E | 54.8 | Low | 49.2 | Very low | 96 Ų | 96 | 130 Ų | 130 | 45% | 0.449 | 68% | 0.681 | S | S | . | * | | | trans | -36.6 | 131.9 | -177.5 | -161.6 | 66 | -130.2 | 0 | 0 | 115.2 | P316 W320 N321 | P316-E318 PolarHBondContact O-N 3.24Å; E318-W320 HydrophobicContact CG-CB 3.93Å; E318-W320 HydrophobicContact CG-CG 4.17Å; E318-W320 PolarHBondContact O-N 3.04Å; E318-N321 WeakPolarHBondContact O-CB 3.45Å; E318-N321 PolarHBondContact O-N 2.82Å |
| 319 | P | 63.8 | Low | 50.2 | Low | 87 Ų | 87 | 128.9 Ų | 128.9 | 57% | 0.565 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -23.5 | 178 | 23 | -34.3 | 0 | 0 | 0 | 113.7 | N321 R322 | P319-N321 VanDerWaalsContact C-N 3.27Å; P319-N321 PolarHBondContact O-N 3.47Å; P319-R322 WeakPolarHBondContact O-CA 3.33Å; P319-R322 WeakPolarHBondContact O-CB 3.48Å; P319-R322 PolarHBondContact O-N 3.37Å |
| 320 | W | 51 | Low | 50.8 | Low | 190 Ų | 190 | 130 Ų | 130 | 72% | 0.72 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -31.8 | 171.8 | -66 | 70.2 | 0 | 0 | 0 | 112.7 | E318 R322 L323 | E318-W320 HydrophobicContact CG-CB 3.93Å; E318-W320 HydrophobicContact CG-CG 4.17Å; E318-W320 PolarHBondContact O-N 3.04Å; W320-R322 PolarHBondContact O-N 3.35Å; W320-L323 PolarHBondContact O-N 2.96Å |
| 321 | N | 56.1 | Low | 51.7 | Low | 61 Ų | 61 | 129.9 Ų | 129.9 | 33% | 0.326 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -68.3 | -20.2 | 172.6 | -82.3 | -99.8 | 0 | 0 | 0 | 112.2 | H317 E318 P319 L323 H324 R325 | H317-N321 PolarHBondContact CE1-ND2 2.84Å; H317-N321 PolarHBondContact CE1-OD1 3.42Å; H317-N321 PolarHBondContact ND1-ND2 3.2Å; E318-N321 WeakPolarHBondContact O-CB 3.45Å; E318-N321 PolarHBondContact O-N 2.82Å; P319-N321 VanDerWaalsContact C-N 3.27Å; P319-N321 PolarHBondContact O-N 3.47Å; N321-L323 PolarHBondContact O-N 2.67Å; N321-H324 PolarHBondContact O-N 3.01Å; N321-R325 VanDerWaalsContact O-CB 3.25Å; N321-R325 WeakPolarHBondContact O-CB 3.17Å; N321-R325 WeakPolarHBondContact O-CD 3.33Å; N321-R325 WeakPolarHBondContact O-CG 3.23Å; N321-R325 PolarHBondContact O-N 2.75Å |
| 322 | R | 58.8 | Low | 52.5 | Low | 200 Ų | 200 | 127 Ų | 127 | 76% | 0.755 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -73.6 | -10.9 | 176.1 | -142.6 | 178.5 | -163.9 | -131.2 | 6.6 | 113.3 | P319 W320 | P319-R322 WeakPolarHBondContact O-CA 3.33Å; P319-R322 WeakPolarHBondContact O-CB 3.48Å; P319-R322 PolarHBondContact O-N 3.37Å; W320-R322 PolarHBondContact O-N 3.35Å |
| 323 | L | 63.6 | Low | 53.7 | Low | 139 Ų | 139 | 126.2 Ų | 126.2 | 73% | 0.728 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -92.3 | -23.7 | 174.1 | -63.7 | 170.8 | 0 | 0 | 0 | 113.1 | W320 N321 | W320-L323 PolarHBondContact O-N 2.96Å; N321-L323 PolarHBondContact O-N 2.67Å |
| 324 | H | 55.7 | Low | 54.8 | Low | 177 Ų | 177 | 122.2 Ų | 122.2 | 82% | 0.819 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -109.2 | -20 | -179.1 | -66 | -63.7 | 0 | 0 | 0 | 114.1 | N321 | N321-H324 PolarHBondContact O-N 3.01Å |
| 325 | R | 55.7 | Low | 56.3 | Low | 143 Ų | 143 | 122.6 Ų | 122.6 | 54% | 0.54 | 66% | 0.658 | S | S | . | * | S | Bend | trans | -71.7 | 140 | 162.2 | -70.2 | 168.3 | 177.4 | -94.1 | 1.5 | 108.6 | H317 N321 | H317-R325 PolarHBondContact CD2-NH2 3.49Å; H317-R325 PolarHBondContact NE2-NH2 3.11Å; N321-R325 VanDerWaalsContact O-CB 3.25Å; N321-R325 WeakPolarHBondContact O-CB 3.17Å; N321-R325 WeakPolarHBondContact O-CD 3.33Å; N321-R325 WeakPolarHBondContact O-CG 3.23Å; N321-R325 PolarHBondContact O-N 2.75Å |
| 326 | T | 50.8 | Low | 56.7 | Low | 104 Ų | 104 | 127 Ų | 127 | 64% | 0.638 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 133.3 | 170.6 | 35.9 | 0 | 0 | 0 | 0 | 110 | | |
| 327 | P | 50.4 | Low | 56.4 | Low | 67 Ų | 67 | 129.5 Ų | 129.5 | 44% | 0.435 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 145.2 | -179.7 | 24.7 | -32.2 | 0 | 0 | 0 | 109.8 | S329 F330 | P327-S329 PolarHBondContact O-N 3.42Å; P327-F330 HydrophobicContact CG-CD2 4.06Å; P327-F330 PolarHBondContact O-N 2.99Å |
| 328 | P | 61.2 | Low | 56.3 | Low | 128 Ų | 128 | 133.2 Ų | 133.2 | 83% | 0.831 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 7.8 | -172.6 | 27.9 | -36.2 | 0 | 0 | 0 | 114.8 | | |
| 329 | S | 62.2 | Low | 56.1 | Low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -4.1 | 171.3 | 61.2 | 0 | 0 | 0 | 0 | 114 | P327 | P327-S329 PolarHBondContact O-N 3.42Š|
| 330 | F | 48.5 | Very low | 54.8 | Low | 136 Ų | 136 | 134.6 Ų | 134.6 | 60% | 0.596 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -87.5 | 132.5 | 174.1 | -97.4 | -99 | 0 | 0 | 0 | 111.5 | P327 T332 | P327-F330 HydrophobicContact CG-CD2 4.06Å; P327-F330 PolarHBondContact O-N 2.99Å; F330-T332 PolarHBondContact O-N 3.43Å |
| 331 | P | 63.8 | Low | 54 | Low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 73% | 0.725 | S | S | * | * | | | trans | -65.6 | 108.4 | 173.5 | 27.5 | -32.9 | 0 | 0 | 0 | 108.9 | | |
| 332 | T | 56.3 | Low | 53.4 | Low | 116 Ų | 116 | 139.7 Ų | 139.7 | 71% | 0.712 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 124.6 | 175.3 | -62.6 | 0 | 0 | 0 | 0 | 108.2 | F330 | F330-T332 PolarHBondContact O-N 3.43Š|
| 333 | P | 60 | Low | 52.4 | Low | 102 Ų | 102 | 138.2 Ų | 138.2 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 145.4 | 179.1 | 26.7 | -34.2 | 0 | 0 | 0 | 110.1 | | |
| 334 | P | 63.6 | Low | 51.3 | Low | 106 Ų | 106 | 143.6 Ų | 143.6 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 132.8 | -179.9 | -26.6 | 34.8 | 0 | 0 | 0 | 111.6 | W336 | P334-W336 PolarHBondContact O-N 3.19Å; P334-W336 VanDerWaalsContact O-N 3.08Å |
| 335 | P | 69.4 | Low | 50.6 | Low | 118 Ų | 118 | 140.1 Ų | 140.1 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | | | trans | -65.2 | 112.9 | 175.4 | 26.6 | -32.8 | 0 | 0 | 0 | 109 | L337 | P335-L337 PolarHBondContact O-N 3.02Š|
| 336 | W | 46.6 | Very low | 49.6 | Very low | 243 Ų | 243 | 138.1 Ų | 138.1 | 92% | 0.92 | 77% | 0.77 | S | S | * | * | | | trans | -62.4 | 121.5 | 173.7 | -81.8 | 65.3 | 0 | 0 | 0 | 109.2 | P334 K338 | P334-W336 PolarHBondContact O-N 3.19Å; P334-W336 VanDerWaalsContact O-N 3.08Å; W336-K338 PolarHBondContact O-N 2.93Å; W336-K338 VanDerWaalsContact O-N 3.11Å |
| 337 | L | 46.2 | Very low | 48.9 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | | | trans | -61.2 | 113.2 | -178 | -62 | 174.8 | 0 | 0 | 0 | 110 | P335 | P335-L337 PolarHBondContact O-N 3.02Š|
| 338 | K | 44.8 | Very low | 48.2 | Very low | 195 Ų | 195 | 140.1 Ų | 140.1 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | -89.2 | 138.5 | 163.4 | -70.3 | -174.8 | 176.9 | -177.8 | 0 | 108.5 | W336 G340 | W336-K338 PolarHBondContact O-N 2.93Å; W336-K338 VanDerWaalsContact O-N 3.11Å; K338-G340 PolarHBondContact O-N 3.24Å |
| 339 | P | 49.9 | Very low | 47.1 | Very low | 136 Ų | 136 | 138.9 Ų | 138.9 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | | | trans | -70.2 | 127.7 | -168.6 | -21.8 | 34.6 | 0 | 0 | 0 | 114.4 | | |
| 340 | G | 35.7 | Very low | 46 | Very low | 75 Ų | 75 | 138.8 Ų | 138.8 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | 46.1 | 94.9 | 142.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | K338 | K338-G340 PolarHBondContact O-N 3.24Š|
| 341 | E | 34.8 | Very low | 45.9 | Very low | 202 Ų | 202 | 141 Ų | 141 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | | | trans | -101.8 | 120.9 | 139.8 | -73 | -174.8 | -158.6 | 0 | 0 | 108 | | |
| 342 | L | 44.3 | Very low | 44.8 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -108.3 | 98.8 | -177.6 | -176.1 | 69.5 | 0 | 0 | 0 | 111 | | |
| 343 | E | 37.6 | Very low | 44.4 | Very low | 168 Ų | 168 | 146.1 Ų | 146.1 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | | | trans | 38.8 | 148 | 141.5 | -59.1 | -169.4 | 146 | 0 | 0 | 122.9 | | |
| 344 | R | 40.9 | Very low | 43.4 | Very low | 253 Ų | 253 | 149 Ų | 149 | 96% | 0.955 | 82% | 0.824 | S | S | * | * | | | trans | -124.7 | 84.8 | 157.7 | -82.7 | -173.2 | 170.1 | 137.1 | -1.4 | 111.7 | | |
| 345 | S | 39.7 | Very low | 42.3 | Very low | 104 Ų | 104 | 154.5 Ų | 154.5 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | | | trans | 31.9 | 126 | 144.2 | -48.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 346 | A | 35.7 | Very low | 40.7 | Very low | 100 Ų | 100 | 155.8 Ų | 155.8 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | | | trans | -149.1 | 78.8 | 134.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 347 | S | 34.9 | Very low | 40.7 | Very low | 113 Ų | 113 | 151.4 Ų | 151.4 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | | | | 87.8 | 95.5 | 84.4 | -70.1 | 0 | 0 | 0 | 0 | 115.1 | | |
| 348 | A | 37.4 | Very low | 40.4 | Very low | 101 Ų | 101 | 149.1 Ų | 149.1 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | -160.9 | 135.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 349 | A | 37.6 | Very low | 40.1 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | | | trans | 71.2 | 138.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 350 | A | 39.5 | Very low | 39.5 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | | | trans | 55.1 | 103 | 162.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 351 | H | 45.5 | Very low | 39.5 | Very low | 182 Ų | 182 | 153.2 Ų | 153.2 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | | | cis | 87 | 143.8 | 49.2 | -166 | -75.1 | 0 | 0 | 0 | 114.4 | | |
| 352 | D | 40.6 | Very low | 39.8 | Very low | 114 Ų | 114 | 149.5 Ų | 149.5 | 61% | 0.61 | 80% | 0.798 | S | S | * | * | | | trans | 77.2 | 68 | 175 | -138.9 | 81.4 | 0 | 0 | 0 | 118.3 | | |
| 353 | R | 48.3 | Very low | 39.3 | Very low | 229 Ų | 229 | 146.2 Ų | 146.2 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | | 178.4 | 71.9 | 119.9 | -93.3 | 161.2 | -160.9 | -169.7 | 2.3 | 112.1 | | |
| 354 | D | 38.2 | Very low | 39.2 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -100.3 | 89.1 | 161.2 | -159.1 | -51.9 | 0 | 0 | 0 | 107.6 | | |
| 355 | R | 40.6 | Very low | 39.2 | Very low | 221 Ų | 221 | 137.6 Ų | 137.6 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | | | trans | -171.2 | 141.7 | 176.5 | -109 | 174.2 | -168.4 | 174.2 | 4.2 | 110.7 | | |
| 356 | D | 35.8 | Very low | 38.8 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 78% | 0.775 | 78% | 0.778 | S | S | * | * | | | trans | 37.4 | 81.6 | 158.4 | -68.9 | -107.6 | 0 | 0 | 0 | 119.4 | | |
| 357 | V | 47 | Very low | 39.2 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 91% | 0.909 | 77% | 0.765 | S | S | * | * | | | trans | -136.6 | 33.8 | 135.8 | -72 | 0 | 0 | 0 | 0 | 111.8 | K359 | V357-K359 PolarHBondContact O-N 2.87Š|
| 358 | D | 40.1 | Very low | 39.9 | Very low | 124 Ų | 124 | 140.4 Ų | 140.4 | 66% | 0.663 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -83 | 109 | 167.4 | -169.3 | -71.9 | 0 | 0 | 0 | 109 | | |
| 359 | K | 37.4 | Very low | 40.3 | Very low | 158 Ų | 158 | 145.9 Ų | 145.9 | 69% | 0.687 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 87.7 | 137.6 | -176.1 | -49.4 | 156.8 | -169.8 | 68.9 | 0 | 116.4 | V357 | V357-K359 PolarHBondContact O-N 2.87Š|
| 360 | R | 38.1 | Very low | 40.7 | Very low | 209 Ų | 209 | 146.4 Ų | 146.4 | 79% | 0.789 | 75% | 0.745 | S | S | * | * | | | trans | 88.9 | 154.1 | 145.1 | -142.4 | 174 | -71.5 | 179.9 | -1.3 | 117.8 | | |
| 361 | D | 35.9 | Very low | 41 | Very low | 126 Ų | 126 | 151.3 Ų | 151.3 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | | | trans | 60.6 | 107.9 | 174.1 | -52.8 | -47.7 | 0 | 0 | 0 | 116.2 | | |
| 362 | S | 41.1 | Very low | 41 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 86% | 0.86 | 74% | 0.736 | S | S | * | * | | | cis | -122.4 | 135.2 | 25.7 | -46.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 363 | S | 33.7 | Very low | 41 | Very low | 88 Ų | 88 | 150.2 Ų | 150.2 | 62% | 0.615 | 75% | 0.749 | S | S | * | * | | | cis | 103.8 | 43 | 17.6 | 86 | 0 | 0 | 0 | 0 | 117.8 | | |
| 364 | V | 35.9 | Very low | 40.4 | Very low | 148 Ų | 148 | 144 Ų | 144 | 90% | 0.897 | 74% | 0.736 | S | S | * | * | | | trans | -168.3 | 137.8 | 151.4 | 130.7 | 0 | 0 | 0 | 0 | 107.4 | | |
| 365 | S | 40.2 | Very low | 40.4 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 65% | 0.65 | 72% | 0.718 | S | S | * | * | | | cis | -119.1 | 134.5 | -15 | -165 | 0 | 0 | 0 | 0 | 105.4 | | |
| 366 | K | 31 | Very low | 40.1 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 70% | 0.696 | 71% | 0.705 | S | S | * | * | | | | 51.9 | 126.1 | 68.2 | -150.9 | -161.5 | 165.3 | -70.5 | 0 | 112 | | |
| 367 | D | 43.8 | Very low | 40.4 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 57% | 0.567 | 70% | 0.704 | S | S | * | * | | | trans | 81 | 121.8 | 172.1 | -47.6 | -36.2 | 0 | 0 | 0 | 115.7 | | |
| 368 | D | 51 | Low | 40 | Very low | 109 Ų | 109 | 140 Ų | 140 | 58% | 0.583 | 70% | 0.696 | S | S | * | * | | | cis | -151.6 | 168.6 | -11.9 | -140.8 | -65.9 | 0 | 0 | 0 | 113.7 | E370 | D368-E370 HydrophobicContact CB-CG 4.06Å; D368-E370 PolarHBondContact OD1-N 3.43Å |
| 369 | K | 44.5 | Very low | 40.1 | Very low | 216 Ų | 216 | 139.2 Ų | 139.2 | 94% | 0.939 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -110.5 | 31.3 | 171.2 | -161.3 | -178.7 | 173.9 | 178.8 | 0 | 110.9 | | |
| 370 | E | 46.8 | Very low | 40.2 | Very low | 113 Ų | 113 | 136.1 Ų | 136.1 | 53% | 0.528 | 70% | 0.696 | S | S | . | * | | | trans | -127.1 | 156.1 | 171.3 | 73.6 | 175.1 | -152.6 | 0 | 0 | 110.4 | D368 | D368-E370 HydrophobicContact CB-CG 4.06Å; D368-E370 PolarHBondContact OD1-N 3.43Å |
| 371 | R | 46.5 | Very low | 40 | Very low | 199 Ų | 199 | 133.9 Ų | 133.9 | 75% | 0.751 | 69% | 0.694 | S | S | * | * | | | trans | 63 | 125.1 | -169.4 | -60.4 | -177.3 | -174.7 | 75.4 | 8 | 113 | | |
| 372 | E | 44.3 | Very low | 40.7 | Very low | 147 Ų | 147 | 133.7 Ų | 133.7 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | | | cis | -162.1 | 118.8 | 2.5 | -171.1 | 153.6 | -166.3 | 0 | 0 | 107.1 | V374 | E372-V374 HydrophobicContact CG-CB 4.5Å; E372-V374 HydrophobicContact CG-CG1 3.35Å; E372-V374 WeakPolarHBondContact OE1-CG1 3.31Å |
| 373 | S | 40.3 | Very low | 40.8 | Very low | 127 Ų | 127 | 132 Ų | 132 | 89% | 0.888 | 69% | 0.689 | S | S | * | * | | | cis | 75.1 | 16.5 | 28.2 | -156.9 | 0 | 0 | 0 | 0 | 116.5 | | |
| 374 | V | 37.4 | Very low | 40.8 | Very low | 97 Ų | 97 | 133.3 Ų | 133.3 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | | | trans | -155.3 | 141 | 154.6 | 44.1 | 0 | 0 | 0 | 0 | 107.9 | E372 | E372-V374 HydrophobicContact CG-CB 4.5Å; E372-V374 HydrophobicContact CG-CG1 3.35Å; E372-V374 WeakPolarHBondContact OE1-CG1 3.31Å |
| 375 | E | 36.2 | Very low | 40.6 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 51% | 0.505 | 69% | 0.686 | S | S | . | * | | | cis | -168.9 | 160.8 | -20.8 | 176 | 163.7 | 127.4 | 0 | 0 | 107.8 | R377 | E375-R377 IonicContact OE1-NH2 3.12Š|
| 376 | K | 36.3 | Very low | 40.6 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 56% | 0.557 | 69% | 0.694 | S | S | * | * | | | trans | -5.9 | 124.5 | 155.5 | -44.2 | 147.7 | -149 | 150.9 | 0 | 114.9 | | |
| 377 | R | 41.6 | Very low | 41.4 | Very low | 199 Ų | 199 | 130 Ų | 130 | 75% | 0.751 | 70% | 0.697 | S | S | * | * | | | | -179.3 | 121.2 | 113.5 | -90.7 | 153.5 | -119.2 | 106.1 | -3.7 | 107.1 | E375 | E375-R377 IonicContact OE1-NH2 3.12Š|
| 378 | H | 37.8 | Very low | 41.3 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 75% | 0.745 | 70% | 0.704 | S | S | * | * | | | | 61.1 | 143.1 | 58.4 | -61.2 | -65 | 0 | 0 | 0 | 112.4 | | |
| 379 | P | 42.3 | Very low | 41.7 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 71% | 0.708 | 72% | 0.717 | S | S | * | * | | | cis | -131.1 | 178.5 | 20.2 | 40.4 | -23.4 | 0 | 0 | 0 | 116.3 | | |
| 380 | S | 40 | Very low | 41.4 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 64% | 0.643 | 70% | 0.703 | S | S | * | * | | | trans | 33.6 | 127.9 | 146.3 | 59.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 381 | H | 33.6 | Very low | 40.8 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 75% | 0.75 | 71% | 0.714 | S | S | * | * | | | cis | 49 | 92.3 | 19 | -154.7 | -83 | 0 | 0 | 0 | 116.3 | | |
| 382 | P | 51.3 | Low | 40.5 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | | | trans | -121.9 | 81.8 | 151.4 | 36.7 | -25.6 | 0 | 0 | 0 | 111.8 | | |
| 383 | S | 41.5 | Very low | 40.5 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | | | | -74.7 | 136.2 | 129.6 | -174.8 | 0 | 0 | 0 | 0 | 105.6 | | |
| 384 | P | 35.2 | Very low | 40.4 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 75% | 0.747 | 72% | 0.716 | S | S | * | * | | | cis | -140.2 | 163.9 | 40.5 | 41.7 | -25.4 | 0 | 0 | 0 | 117.4 | | |
| 385 | A | 31.1 | Very low | 40.6 | Very low | 86 Ų | 86 | 121.1 Ų | 121.1 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | | | | 170 | 134.8 | 128.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P387 | A385-P387 WeakPolarHBondContact O-CD 3.47Š|
| 386 | P | 39.7 | Very low | 40.5 | Very low | 125 Ų | 125 | 121.1 Ų | 121.1 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | | | trans | -96.8 | 113.4 | 165.8 | 33.5 | -27.3 | 0 | 0 | 0 | 111.8 | V388 | P386-V388 PolarHBondContact O-N 3.4Š|
| 387 | P | 48.4 | Very low | 40.6 | Very low | 119 Ų | 119 | 124.8 Ų | 124.8 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | trans | -84.1 | 109.3 | 165.6 | 31.5 | -30.1 | 0 | 0 | 0 | 110.4 | A385 | A385-P387 WeakPolarHBondContact O-CD 3.47Š|
| 388 | V | 41.7 | Very low | 40.2 | Very low | 115 Ų | 115 | 120.4 Ų | 120.4 | 70% | 0.697 | 73% | 0.733 | S | S | * | * | | | trans | -58.7 | 138.7 | 165.5 | -86.8 | 0 | 0 | 0 | 0 | 112.4 | P386 V390 | P386-V388 PolarHBondContact O-N 3.4Å; V388-V390 HydrophobicContact CB-CG2 3.67Å; V388-V390 HydrophobicContact CG1-CG2 4.48Å; V388-V390 HydrophobicContact CG2-CG2 3.43Å; V388-V390 VanDerWaalsContact CG2-CG2 3.43Å |
| 389 | P | 59.1 | Low | 40.1 | Very low | 133 Ų | 133 | 116.8 Ų | 116.8 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | | | trans | -85.7 | 98.9 | 144 | 31.7 | -26.7 | 0 | 0 | 0 | 108.6 | | |
| 390 | V | 37.8 | Very low | 39.8 | Very low | 107 Ų | 107 | 117.4 Ų | 117.4 | 65% | 0.648 | 73% | 0.728 | S | S | * | * | | | trans | -87.4 | 153.4 | 171.5 | -151.8 | 0 | 0 | 0 | 0 | 109.6 | V388 | V388-V390 HydrophobicContact CB-CG2 3.67Å; V388-V390 HydrophobicContact CG1-CG2 4.48Å; V388-V390 HydrophobicContact CG2-CG2 3.43Å; V388-V390 VanDerWaalsContact CG2-CG2 3.43Å |
| 391 | S | 34.8 | Very low | 39.8 | Very low | 109 Ų | 109 | 120 Ų | 120 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | | | trans | 79.1 | 146.9 | 153.2 | -58.7 | 0 | 0 | 0 | 0 | 120 | | |
| 392 | A | 41.2 | Very low | 40.2 | Very low | 97 Ų | 97 | 117.3 Ų | 117.3 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | | | trans | 73.2 | 138.8 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 393 | L | 42.6 | Very low | 39.3 | Very low | 145 Ų | 145 | 116.9 Ų | 116.9 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | | | cis | -159.2 | 92.5 | -18.3 | 176.7 | 53.1 | 0 | 0 | 0 | 111.3 | H395 | L393-H395 PolarHBondContact O-ND1 2.98Š|
| 394 | G | 38.8 | Very low | 38.9 | Very low | 77 Ų | 77 | 117.6 Ų | 117.6 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | | | trans | 61.6 | -160.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 395 | H | 42.2 | Very low | 38.9 | Very low | 145 Ų | 145 | 122.9 Ų | 122.9 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | | | cis | -129.1 | 139.3 | 0.9 | -94.3 | 72.9 | 0 | 0 | 0 | 108.5 | L393 | L393-H395 PolarHBondContact O-ND1 2.98Š|
| 396 | N | 33.1 | Very low | 39 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 58% | 0.583 | 74% | 0.735 | S | S | * | * | | | | 44.7 | 125 | 97.5 | -76.4 | -37.3 | 0 | 0 | 0 | 112.6 | | |
| 397 | R | 39.2 | Very low | 38.6 | Very low | 204 Ų | 204 | 124.1 Ų | 124.1 | 77% | 0.77 | 73% | 0.733 | S | S | * | * | | | cis | -165 | 164.7 | 26.2 | -110 | 156.3 | -154.5 | -84.6 | -2.6 | 110.2 | | |
| 398 | S | 33.6 | Very low | 38.1 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | | | | 49.3 | 139.2 | 101.4 | -117.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 399 | S | 34.6 | Very low | 37.8 | Very low | 85 Ų | 85 | 126.1 Ų | 126.1 | 59% | 0.594 | 73% | 0.732 | S | S | * | * | | | cis | -174.8 | 158.9 | 5.1 | -158.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 400 | T | 35.8 | Very low | 36.7 | Very low | 123 Ų | 123 | 123.7 Ų | 123.7 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | | | trans | 39.1 | 123.4 | 142.2 | 53.3 | 0 | 0 | 0 | 0 | 121.5 | | |
| 401 | D | 40.9 | Very low | 36.4 | Very low | 147 Ų | 147 | 126.8 Ų | 126.8 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | | | | -18 | 152.7 | 129.2 | -96.4 | -83.2 | 0 | 0 | 0 | 115.5 | | |
| 402 | P | 42.2 | Very low | 36.5 | Very low | 105 Ų | 105 | 126.3 Ų | 126.3 | 68% | 0.682 | 73% | 0.725 | S | S | * | * | | | cis | -157.4 | 179.2 | 44.1 | 47.4 | -27.9 | 0 | 0 | 0 | 118.4 | | |
| 403 | T | 32.3 | Very low | 36.1 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 69% | 0.693 | 73% | 0.725 | S | S | * | * | | | trans | 60.2 | 146.3 | 149 | -24.7 | 0 | 0 | 0 | 0 | 122.4 | | |
| 404 | T | 33.3 | Very low | 35.7 | Very low | 103 Ų | 103 | 131 Ų | 131 | 63% | 0.632 | 72% | 0.718 | S | S | * | * | | | trans | 80.9 | 144.9 | 162.3 | 79.7 | 0 | 0 | 0 | 0 | 117.2 | | |
| 405 | R | 34.5 | Very low | 35.5 | Very low | 227 Ų | 227 | 137.4 Ų | 137.4 | 86% | 0.857 | 72% | 0.724 | S | S | * | * | | | trans | 44.3 | 95.4 | 164.4 | -58.4 | 177.8 | -177.1 | 97.3 | -4.3 | 114.2 | | |
| 406 | G | 33.7 | Very low | 35.1 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 76% | 0.763 | 73% | 0.728 | S | S | * | * | | | cis | 73.5 | 179.5 | 40.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 407 | H | 31.5 | Very low | 35.7 | Very low | 163 Ų | 163 | 141.7 Ų | 141.7 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | trans | 74.6 | 94.6 | 174.1 | -164.6 | -102.2 | 0 | 0 | 0 | 116.8 | | |
| 408 | L | 37.1 | Very low | 35.5 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 67% | 0.67 | 73% | 0.727 | S | S | * | * | | | trans | 74.9 | 160.4 | 158.9 | -46.8 | -174.8 | 0 | 0 | 0 | 117.1 | | |
| 409 | N | 34.6 | Very low | 35.8 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 79% | 0.786 | 74% | 0.737 | S | S | * | * | | | cis | -109.8 | 133.8 | -3.8 | 35.8 | 16.9 | 0 | 0 | 0 | 111.7 | | |
| 410 | T | 36 | Very low | 35.6 | Very low | 82 Ų | 82 | 143.3 Ų | 143.3 | 50% | 0.503 | 74% | 0.74 | S | S | . | * | | | | 60.5 | 98.2 | 74.4 | -39.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 411 | E | 33.5 | Very low | 35.5 | Very low | 173 Ų | 173 | 144 Ų | 144 | 81% | 0.808 | 73% | 0.732 | S | S | * | * | | | | 58.3 | 145.6 | 73 | -57.3 | 178.7 | 128.2 | 0 | 0 | 112.2 | | |
| 412 | A | 35.2 | Very low | 35 | Very low | 99 Ų | 99 | 143 Ų | 143 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | | | trans | 61.3 | 155.3 | -154.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 413 | R | 32.9 | Very low | 34.8 | Very low | 211 Ų | 211 | 147.2 Ų | 147.2 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | | | cis | -132.4 | 151.3 | 16.1 | -161.8 | 164.5 | -179.3 | -167.5 | -8.6 | 113.4 | | |
| 414 | E | 35.6 | Very low | 34.9 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 61% | 0.607 | 72% | 0.723 | S | S | * | * | | | trans | -4.5 | 125.8 | 162.3 | -58.7 | 165.9 | 104.1 | 0 | 0 | 114.9 | D416 | E414-D416 PolarHBondContact O-N 2.58Š|
| 415 | K | 33.7 | Very low | 35 | Very low | 211 Ų | 211 | 151.1 Ų | 151.1 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | | | | 55.4 | 25.1 | 68.8 | -152 | -160.8 | -179.5 | -175.3 | 0 | 113.5 | | |
| 416 | D | 33.9 | Very low | 34.9 | Very low | 141 Ų | 141 | 144.9 Ų | 144.9 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | | | trans | -83 | 119.9 | 164.7 | -128.2 | -44.2 | 0 | 0 | 0 | 110.9 | E414 P418 | E414-D416 PolarHBondContact O-N 2.58Å; D416-P418 VanDerWaalsContact OD1-CD 3.31Å; D416-P418 WeakPolarHBondContact OD1-CD 3.29Å |
| 417 | K | 46 | Very low | 34.8 | Very low | 202 Ų | 202 | 144.8 Ų | 144.8 | 88% | 0.878 | 72% | 0.722 | S | S | * | * | | | trans | -135 | 72.7 | 177.3 | -171.6 | -162.8 | 174.1 | 178.7 | 0 | 111.7 | | |
| 418 | P | 34.6 | Very low | 34.8 | Very low | 72 Ų | 72 | 141.7 Ų | 141.7 | 47% | 0.468 | 72% | 0.719 | S | S | . | * | | | trans | -99.4 | 142.6 | 148.4 | 29.6 | -13.6 | 0 | 0 | 0 | 107.6 | D416 E420 | D416-P418 VanDerWaalsContact OD1-CD 3.31Å; D416-P418 WeakPolarHBondContact OD1-CD 3.29Å; P418-E420 HydrophobicContact CB-CB 4.1Å; P418-E420 HydrophobicContact CG-CB 4.35Å |
| 419 | K | 40.1 | Very low | 34.7 | Very low | 219 Ų | 219 | 146.8 Ų | 146.8 | 95% | 0.952 | 73% | 0.729 | S | S | * | * | | | cis | 45.6 | 32 | 42 | -143.5 | -173.2 | 178.1 | -175.7 | 0 | 114.2 | | |
| 420 | E | 31.3 | Very low | 34.5 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 65% | 0.65 | 72% | 0.721 | S | S | * | * | | | trans | -113.9 | 128.3 | 160.8 | 176.3 | 150 | -112.6 | 0 | 0 | 107 | P418 | P418-E420 HydrophobicContact CB-CB 4.1Å; P418-E420 HydrophobicContact CG-CB 4.35Å |
| 421 | K | 32 | Very low | 34.1 | Very low | 138 Ų | 138 | 148 Ų | 148 | 60% | 0.6 | 73% | 0.726 | S | S | * | * | | | cis | -147.5 | 160.9 | -11.9 | -122 | -177.6 | -174.4 | 121.2 | 0 | 108.6 | R423 | K421-R423 PolarHBondContact O-N 3.1Š|
| 422 | E | 31.9 | Very low | 34 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 59% | 0.593 | 72% | 0.722 | S | S | * | * | | | | 32.2 | 93 | 98.7 | -163.3 | -154 | 139.4 | 0 | 0 | 111 | | |
| 423 | R | 36.8 | Very low | 33.8 | Very low | 192 Ų | 192 | 146.9 Ų | 146.9 | 73% | 0.725 | 72% | 0.716 | S | S | * | * | | | | -140.6 | 136.1 | 68.3 | -99.9 | -174.7 | 169.7 | 94.4 | 4.5 | 114.4 | K421 H425 | K421-R423 PolarHBondContact O-N 3.1Å; R423-H425 PolarHBondContact O-N 2.92Å |
| 424 | D | 33.8 | Very low | 33.8 | Very low | 120 Ų | 120 | 142.3 Ų | 142.3 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | | | trans | -36.5 | 121.9 | 136.8 | -69 | -91.6 | 0 | 0 | 0 | 111.8 | S426 | D424-S426 VanDerWaalsContact C-N 3.29Š|
| 425 | H | 35.7 | Very low | 33.8 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | | | trans | -101.4 | 68.5 | 136.6 | -79.6 | 27.7 | 0 | 0 | 0 | 106.9 | R423 G427 | R423-H425 PolarHBondContact O-N 2.92Å; H425-G427 PolarHBondContact O-N 3.1Å |
| 426 | S | 33.1 | Very low | 34 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 67% | 0.671 | 71% | 0.705 | S | S | * | * | | | trans | -67.1 | 70.4 | 170.2 | 58 | 0 | 0 | 0 | 0 | 109.5 | D424 S428 | D424-S426 VanDerWaalsContact C-N 3.29Å; S426-S428 VanDerWaalsContact C-N 3.27Å; S426-S428 PolarHBondContact O-N 3.37Å |
| 427 | G | 31.9 | Very low | 34.5 | Very low | 73 Ų | 73 | 141.9 Ų | 141.9 | 75% | 0.753 | 71% | 0.708 | S | S | * | * | | | trans | -74.8 | 71 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | H425 | H425-G427 PolarHBondContact O-N 3.1Š|
| 428 | S | 31 | Very low | 34.2 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | | | trans | 55.2 | 80.6 | 164.3 | -120.7 | 0 | 0 | 0 | 0 | 116.9 | S426 K430 | S426-S428 VanDerWaalsContact C-N 3.27Å; S426-S428 PolarHBondContact O-N 3.37Å; S428-K430 VanDerWaalsContact CB-O 3.26Å; S428-K430 WeakPolarHBondContact CB-O 3.47Å; S428-K430 PolarHBondContact OG-O 3.06Å |
| 429 | R | 34.9 | Very low | 34.8 | Very low | 234 Ų | 234 | 141 Ų | 141 | 88% | 0.883 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -62.1 | 131.8 | 133.5 | 172.4 | -172.8 | 179.8 | -169.5 | 2.8 | 106 | | |
| 430 | K | 30.3 | Very low | 34.9 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 61% | 0.613 | 70% | 0.701 | S | S | * | * | | | trans | 70.7 | 156.1 | -172.7 | -67.3 | 174.2 | 162.8 | -143.8 | 0 | 113.3 | S428 | S428-K430 VanDerWaalsContact CB-O 3.26Å; S428-K430 WeakPolarHBondContact CB-O 3.47Å; S428-K430 PolarHBondContact OG-O 3.06Å |
| 431 | D | 28.6 | Very low | 35.5 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 62% | 0.615 | 70% | 0.704 | S | S | * | * | | | cis | -155.3 | 167.5 | -7.8 | -112.9 | -32.2 | 0 | 0 | 0 | 107.8 | | |
| 432 | L | 31 | Very low | 35.8 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | | | trans | 55 | 118.6 | 151.5 | -89.3 | 71.9 | 0 | 0 | 0 | 122.1 | | |
| 433 | T | 29.8 | Very low | 36.2 | Very low | 112 Ų | 112 | 139 Ų | 139 | 69% | 0.687 | 71% | 0.714 | S | S | * | * | | | | 68.7 | 144.6 | 129.1 | 59.9 | 0 | 0 | 0 | 0 | 123.9 | | |
| 434 | T | 33.1 | Very low | 36.2 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 71% | 0.706 | 71% | 0.713 | S | S | * | * | | | trans | 65.7 | 139.7 | 150.8 | 44.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 435 | E | 36.1 | Very low | 36.9 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | | | cis | -167.1 | 162 | -22.4 | -123.8 | 176.1 | -135.2 | 0 | 0 | 107.9 | | |
| 436 | E | 38.2 | Very low | 36.8 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 58% | 0.575 | 71% | 0.714 | S | S | * | * | | | cis | -122 | -76.7 | -3.1 | 174.8 | -123.6 | 155.2 | 0 | 0 | 111.4 | K438 A439 | E436-K438 VanDerWaalsContact OE1-CA 3.31Å; E436-K438 WeakPolarHBondContact OE1-CA 3.18Å; E436-K438 PolarHBondContact OE1-N 3.17Å; E436-K438 PolarHBondContact OE2-N 3.44Å; E436-A439 PolarHBondContact OE1-N 3.02Å |
| 437 | H | 43.7 | Very low | 36.8 | Very low | 175 Ų | 175 | 140 Ų | 140 | 81% | 0.81 | 72% | 0.717 | S | S | * | * | | | cis | -137 | 120.7 | -14.9 | -153.1 | 23 | 0 | 0 | 0 | 113.5 | | |
| 438 | K | 41.3 | Very low | 36.9 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 78% | 0.778 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 59.1 | 82.7 | 180 | -152.5 | 157.4 | -170.5 | 167.9 | 0 | 119 | E436 | E436-K438 VanDerWaalsContact OE1-CA 3.31Å; E436-K438 WeakPolarHBondContact OE1-CA 3.18Å; E436-K438 PolarHBondContact OE1-N 3.17Å; E436-K438 PolarHBondContact OE2-N 3.44Å |
| 439 | A | 45.8 | Very low | 37.1 | Very low | 77 Ų | 77 | 140.6 Ų | 140.6 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | | | trans | 73.8 | 112.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 118 | E436 | E436-A439 PolarHBondContact OE1-N 3.02Š|
| 440 | K | 43.3 | Very low | 37 | Very low | 172 Ų | 172 | 138.3 Ų | 138.3 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | | | | 90 | 124.9 | 56.6 | -179 | 172.2 | -174 | 171.2 | 0 | 110.7 | | |
| 441 | E | 43 | Very low | 37 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 71% | 0.71 | 71% | 0.714 | S | S | * | * | | | cis | -143.8 | -176.5 | 19.5 | -152.1 | 144.7 | -155.2 | 0 | 0 | 114.6 | | |
| 442 | S | 37.8 | Very low | 37.5 | Very low | 92 Ų | 92 | 138.7 Ų | 138.7 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | | | trans | -64.7 | -178.5 | -178.2 | 56.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 443 | H | 40.8 | Very low | 37.8 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 76% | 0.764 | 72% | 0.723 | S | S | * | * | | | cis | -178.2 | 149 | 42.4 | 179.6 | -80.2 | 0 | 0 | 0 | 109.9 | | |
| 444 | L | 37.7 | Very low | 38.3 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | | | cis | -159.2 | 172 | -23.5 | -93.9 | -171.3 | 0 | 0 | 0 | 107.6 | | |
| 445 | P | 47.7 | Very low | 38.4 | Very low | 110 Ų | 110 | 141.2 Ų | 141.2 | 71% | 0.714 | 73% | 0.726 | S | S | * | * | | | trans | -99 | -148.5 | -175.8 | 41.5 | -36.6 | 0 | 0 | 0 | 113.7 | | |
| 446 | E | 33 | Very low | 38.4 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | | | trans | 77.8 | 150 | 173.8 | -76.8 | -151 | 88.7 | 0 | 0 | 117.8 | | |
| 447 | R | 34.4 | Very low | 38.6 | Very low | 197 Ų | 197 | 135.9 Ų | 135.9 | 74% | 0.743 | 73% | 0.733 | S | S | * | * | | | cis | -158.8 | -176.1 | -21 | -138.2 | -156.9 | -162.2 | -103.4 | -8 | 111.9 | | |
| 448 | D | 33.8 | Very low | 38.4 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 73% | 0.73 | S | S | * | * | | | trans | -46.4 | 151.8 | 170.7 | -54.4 | -93.2 | 0 | 0 | 0 | 116.5 | | |
| 449 | G | 34.5 | Very low | 38.4 | Very low | 57 Ų | 57 | 131.2 Ų | 131.2 | 59% | 0.588 | 73% | 0.734 | S | S | * | * | | | | 129.8 | 111 | 128 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 450 | H | 33.3 | Very low | 38.3 | Very low | 185 Ų | 185 | 134.2 Ų | 134.2 | 86% | 0.856 | 73% | 0.734 | S | S | * | * | | | trans | 58.3 | 132.4 | 146.8 | -53.5 | 93.5 | 0 | 0 | 0 | 120.9 | | |
| 451 | S | 31 | Very low | 38.5 | Very low | 105 Ų | 105 | 130.6 Ų | 130.6 | 73% | 0.734 | 73% | 0.729 | S | S | * | * | | | trans | 77.6 | 129.7 | 144.3 | -67.5 | 0 | 0 | 0 | 0 | 121 | | |
| 452 | H | 38.3 | Very low | 38.5 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 74% | 0.741 | 73% | 0.728 | S | S | * | * | | | trans | 73.3 | 134.8 | 148.6 | -78.3 | -108.3 | 0 | 0 | 0 | 121.2 | | |
| 453 | E | 36.4 | Very low | 38.8 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | | | trans | -13.1 | 152.1 | 164.9 | 66 | -138.5 | 129.9 | 0 | 0 | 122.2 | | |
| 454 | G | 40.5 | Very low | 38.9 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 73% | 0.733 | S | S | * | * | | | trans | 160.6 | 40.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 455 | R | 36.3 | Very low | 38.9 | Very low | 170 Ų | 170 | 132 Ų | 132 | 64% | 0.642 | 73% | 0.734 | S | S | * | * | | | trans | -8.4 | 144.2 | 160.7 | 167.8 | 173.7 | 167.2 | -140 | -7.3 | 121.4 | E532 | R455-E532 IonicContact CZ-OE1 2.69Å; R455-E532 IonicContact CZ-OE2 3.31Å; R455-E532 IonicContact NH1-OE1 3.04Å; R455-E532 PolarHBondContact NH1-OE1 2.86Å; R455-E532 IonicContact NH1-OE2 3.65Å; R455-E532 PolarHBondContact NH1-OE2 3.42Å; R455-E532 VanDerWaalsContact NH2-CD 3.29Å; R455-E532 IonicContact NH2-OE1 3.38Å; R455-E532 IonicContact NH2-OE2 3.6Å; R455-E532 PolarHBondContact NH2-OE2 2.96Å |
| 456 | A | 36.1 | Very low | 38.7 | Very low | 88 Ų | 88 | 137.6 Ų | 137.6 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | 75.6 | 157.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 457 | A | 41.4 | Very low | 38.9 | Very low | 98 Ų | 98 | 136 Ų | 136 | 81% | 0.81 | 74% | 0.743 | S | S | * | * | | | cis | -170.1 | 161.7 | -26.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 458 | G | 40.3 | Very low | 39.7 | Very low | 72 Ų | 72 | 131.9 Ų | 131.9 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | | | trans | 81.8 | 176.2 | 155 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 459 | E | 41.9 | Very low | 39.9 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | | | cis | -152 | 149 | -14.5 | -63.7 | -163.3 | 133.6 | 0 | 0 | 110.5 | | |
| 460 | E | 42.7 | Very low | 40.6 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 65% | 0.654 | 76% | 0.756 | S | S | * | * | | | | 150.3 | 136.1 | 128.1 | -92 | -75.3 | 90.4 | 0 | 0 | 114.8 | K462 | E460-K462 IonicContact OE2-NZ 2.57Å; E460-K462 PolarHBondContact OE2-NZ 3.23Å |
| 461 | P | 48.5 | Very low | 40.7 | Very low | 96 Ų | 96 | 135.9 Ų | 135.9 | 62% | 0.623 | 76% | 0.756 | S | S | * | * | | | trans | -115.6 | 179.1 | 175.4 | 42.7 | -31.6 | 0 | 0 | 0 | 112.8 | | |
| 462 | K | 42.2 | Very low | 41.4 | Very low | 162 Ų | 162 | 137.2 Ų | 137.2 | 70% | 0.704 | 76% | 0.76 | S | S | * | * | | | trans | 174.9 | 142.4 | 158.1 | -99.3 | 141.3 | -160.5 | 147.3 | 0 | 109.3 | E460 | E460-K462 IonicContact OE2-NZ 2.57Å; E460-K462 PolarHBondContact OE2-NZ 3.23Å |
| 463 | Q | 44.7 | Very low | 41.8 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | cis | -150.2 | 144.6 | 10.7 | -62.4 | -156.1 | 17.9 | 0 | 0 | 114.7 | | |
| 464 | L | 41.9 | Very low | 42.3 | Very low | 151 Ų | 151 | 139 Ų | 139 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | trans | 47.1 | 152.2 | 134.6 | -75.7 | 75.4 | 0 | 0 | 0 | 122.8 | | |
| 465 | S | 38.3 | Very low | 42.7 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | cis | -175.8 | 161.2 | -21.1 | -169.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 466 | R | 42.9 | Very low | 43.2 | Very low | 229 Ų | 229 | 136 Ų | 136 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | 91.7 | 117 | 150 | -165.8 | 170.2 | -78.5 | 161.6 | -4.9 | 121.1 | | |
| 467 | V | 37.8 | Very low | 43.8 | Very low | 133 Ų | 133 | 138.5 Ų | 138.5 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | | | trans | -126.8 | -147.3 | 161.3 | -139.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 468 | P | 52.2 | Low | 43.8 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 77% | 0.771 | S | S | * | * | | | | -118 | 179 | -67 | 39.3 | -26.5 | 0 | 0 | 0 | 113.8 | | |
| 469 | S | 36.8 | Very low | 43.8 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | -176.1 | 163.9 | 145 | -88 | 0 | 0 | 0 | 0 | 116.4 | | |
| 470 | P | 48.5 | Very low | 43.9 | Very low | 111 Ų | 111 | 139 Ų | 139 | 72% | 0.721 | 76% | 0.764 | S | S | * | * | | | trans | -127.2 | -158.9 | -167.8 | 42 | -23.9 | 0 | 0 | 0 | 116.5 | | |
| 471 | Y | 37.2 | Very low | 43.8 | Very low | 220 Ų | 220 | 143.8 Ų | 143.8 | 86% | 0.863 | 78% | 0.776 | S | S | * | * | | | trans | 81 | 150.2 | -173.8 | -84.6 | -98.5 | 0 | 0 | 0 | 115.3 | | |
| 472 | V | 45.1 | Very low | 43.8 | Very low | 133 Ų | 133 | 145 Ų | 145 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | | | cis | -138.1 | 168.8 | 20.9 | -176.7 | 0 | 0 | 0 | 0 | 113 | | |
| 473 | R | 45.8 | Very low | 43.4 | Very low | 223 Ų | 223 | 144.3 Ų | 144.3 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | | | trans | -60.3 | 165.2 | 173 | -74.9 | 178.8 | 162.9 | -170.8 | -4.3 | 116.4 | | |
| 474 | T | 46.9 | Very low | 43.1 | Very low | 140 Ų | 140 | 141 Ų | 141 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | | | | -168.7 | 163.8 | 90.9 | 29.7 | 0 | 0 | 0 | 0 | 115.4 | | |
| 475 | P | 48.6 | Very low | 42.9 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -131.1 | 174.7 | -161.3 | 43.8 | -27.9 | 0 | 0 | 0 | 118.2 | | |
| 476 | G | 47.8 | Very low | 43.1 | Very low | 61 Ų | 61 | 141.2 Ų | 141.2 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | trans | 173.2 | 115.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 477 | V | 49.4 | Very low | 42.8 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | | | | 61.3 | 133.2 | 69.6 | -47.1 | 0 | 0 | 0 | 0 | 114.7 | | |
| 478 | D | 40.1 | Very low | 42.9 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | cis | -163.3 | 169.5 | -24.1 | -157 | -85.1 | 0 | 0 | 0 | 110.1 | | |
| 479 | S | 39.9 | Very low | 42.2 | Very low | 97 Ų | 97 | 141.5 Ų | 141.5 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | 75.6 | 147.4 | 149.5 | -84.2 | 0 | 0 | 0 | 0 | 125.2 | | |
| 480 | T | 44 | Very low | 42.6 | Very low | 125 Ų | 125 | 140 Ų | 140 | 77% | 0.767 | 78% | 0.782 | S | S | * | * | | | trans | 81.8 | 80.1 | 153 | 25.2 | 0 | 0 | 0 | 0 | 123.7 | | |
| 481 | R | 41.1 | Very low | 42.3 | Very low | 241 Ų | 241 | 142.7 Ų | 142.7 | 91% | 0.909 | 79% | 0.785 | S | S | * | * | | | | 71.9 | 163.9 | 125.2 | -77.3 | -171.3 | 172.1 | -167.6 | -1.8 | 121.2 | | |
| 482 | P | 49.2 | Very low | 42.7 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | | | trans | -127.3 | -177 | -155.9 | 44.5 | -30.7 | 0 | 0 | 0 | 116.8 | | |
| 483 | N | 33.4 | Very low | 42.6 | Very low | 149 Ų | 149 | 139.9 Ų | 139.9 | 80% | 0.797 | 77% | 0.769 | S | S | * | * | | | trans | 104.9 | 153.6 | 153.7 | -164.5 | 43.3 | 0 | 0 | 0 | 119.1 | | |
| 484 | S | 37.5 | Very low | 42.4 | Very low | 84 Ų | 84 | 139.4 Ų | 139.4 | 59% | 0.587 | 77% | 0.773 | S | S | * | * | | | trans | 75.7 | 94.8 | 162.3 | -87 | 0 | 0 | 0 | 0 | 121.2 | | |
| 485 | T | 39.1 | Very low | 42.5 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | | 34.8 | 117.2 | 113.8 | 59 | 0 | 0 | 0 | 0 | 120.2 | | |
| 486 | S | 42.7 | Very low | 41.9 | Very low | 129 Ų | 129 | 139.1 Ų | 139.1 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | | | | -160.9 | 168.4 | 128.1 | 55.4 | 0 | 0 | 0 | 0 | 111 | | |
| 487 | S | 35 | Very low | 41.7 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | trans | -121.9 | 138.2 | -179.5 | 172.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 488 | R | 40.2 | Very low | 41.3 | Very low | 214 Ų | 214 | 139.4 Ų | 139.4 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | trans | -155.9 | 119 | 151.9 | -158 | 154.8 | -162.4 | -179.1 | 3.5 | 116.5 | | |
| 489 | E | 38.5 | Very low | 41 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | | | trans | 11.9 | 124.3 | 138.9 | -47.4 | 168.2 | 123.4 | 0 | 0 | 121 | | |
| 490 | A | 45.3 | Very low | 41.5 | Very low | 92 Ų | 92 | 146.8 Ų | 146.8 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | | | trans | -168.2 | 99.5 | 135.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 491 | E | 42.1 | Very low | 41.1 | Very low | 166 Ų | 166 | 146.5 Ų | 146.5 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | | 71.7 | 148.1 | 98.5 | -81.6 | -66.6 | 89.2 | 0 | 0 | 115.6 | | |
| 492 | P | 44.4 | Very low | 41.1 | Very low | 85 Ų | 85 | 139.6 Ų | 139.6 | 55% | 0.552 | 77% | 0.769 | S | S | * | * | | | trans | -138.3 | -173 | -134.1 | 30.9 | -5.9 | 0 | 0 | 0 | 114.9 | | |
| 493 | R | 43.4 | Very low | 40.5 | Very low | 209 Ų | 209 | 142.7 Ų | 142.7 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | | | | 147.5 | 140.1 | 126.3 | -79.2 | 161.4 | -171.5 | -170.3 | 4.7 | 114.8 | | |
| 494 | K | 41.6 | Very low | 40.9 | Very low | 213 Ų | 213 | 144.8 Ų | 144.8 | 93% | 0.926 | 77% | 0.772 | S | S | * | * | | | trans | 57.1 | 119.6 | 151.2 | -68.1 | -175.7 | 173.8 | -170.1 | 0 | 119.8 | | |
| 495 | G | 50.4 | Low | 40.9 | Very low | 84 Ų | 84 | 148.2 Ų | 148.2 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | 169.5 | 91.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 496 | E | 34.1 | Very low | 40.8 | Very low | 177 Ų | 177 | 147 Ų | 147 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | | | trans | -157.1 | 156.4 | 179.8 | -158.4 | -109 | 175.9 | 0 | 0 | 108.4 | | |
| 497 | P | 44 | Very low | 40.6 | Very low | 101 Ų | 101 | 148 Ų | 148 | 66% | 0.656 | 78% | 0.777 | S | S | * | * | | | cis | -113.7 | 178.8 | -30.4 | 33.7 | -20.4 | 0 | 0 | 0 | 112.9 | | |
| 498 | A | 42.4 | Very low | 41.2 | Very low | 107 Ų | 107 | 149.3 Ų | 149.3 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | | | trans | -140.3 | 144.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 499 | Y | 33.9 | Very low | 41.8 | Very low | 209 Ų | 209 | 146.8 Ų | 146.8 | 82% | 0.82 | 78% | 0.775 | S | S | * | * | | | trans | -111.9 | 131.8 | -168.7 | 163 | -83.4 | 0 | 0 | 0 | 111.3 | | |
| 500 | E | 49 | Very low | 42.1 | Very low | 185 Ų | 185 | 146 Ų | 146 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -149.7 | 136.2 | 150.9 | -157.1 | 168.3 | -150.8 | 0 | 0 | 112.4 | | |
| 501 | N | 35.6 | Very low | 42.8 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 63% | 0.631 | 78% | 0.778 | S | S | * | * | | | trans | -146.6 | 128.6 | 172.1 | -154 | -90.8 | 0 | 0 | 0 | 104.1 | | |
| 502 | P | 42 | Very low | 43.4 | Very low | 97 Ų | 97 | 150 Ų | 150 | 63% | 0.63 | 78% | 0.78 | S | S | * | * | | | | -158 | 169.1 | 80.3 | 41.1 | -20.8 | 0 | 0 | 0 | 118.6 | | |
| 503 | K | 36 | Very low | 44 | Very low | 184 Ų | 184 | 152.6 Ų | 152.6 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | 40 | 114.1 | 143.5 | -63.5 | 166 | -177.1 | 174.7 | 0 | 119 | | |
| 504 | K | 42.4 | Very low | 44.1 | Very low | 194 Ų | 194 | 151.9 Ų | 151.9 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | | | | 176.2 | 128.8 | 105.2 | 54.3 | -146.4 | 167.3 | -168.8 | 0 | 114.9 | | |
| 505 | N | 37 | Very low | 44.6 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | | | trans | 42.4 | 126 | 142 | -55.7 | -14 | 0 | 0 | 0 | 122.5 | | |
| 506 | A | 36 | Very low | 44.5 | Very low | 103 Ų | 103 | 151.8 Ų | 151.8 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | 54.5 | 117 | 136.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 507 | E | 39.5 | Very low | 44.7 | Very low | 150 Ų | 150 | 149.3 Ų | 149.3 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | | -171.7 | 92.4 | 112.2 | -167.6 | -178.5 | 163.3 | 0 | 0 | 110.3 | K509 | E507-K509 HydrophobicContact CG-CG 4.21Å; E507-K509 PolarHBondContact O-N 3.08Å; E507-K509 WeakPolarHBondContact OE1-CE 3.41Å; E507-K509 WeakPolarHBondContact OE1-CG 3.26Å; E507-K509 IonicContact OE1-NZ 2.75Å |
| 508 | V | 46.8 | Very low | 44.7 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 86% | 0.861 | 76% | 0.756 | S | S | * | * | | | trans | -91.3 | 97.5 | 169.9 | 179 | 0 | 0 | 0 | 0 | 108.4 | V510 | V508-V510 PolarHBondContact O-N 3.41Š|
| 509 | K | 53.2 | Low | 44.5 | Very low | 161 Ų | 161 | 153.2 Ų | 153.2 | 70% | 0.7 | 75% | 0.748 | S | S | * | * | | | trans | -64.6 | 113.2 | 174.9 | -70.5 | -177.1 | 177 | 177.7 | 0 | 110.3 | E507 K511 | E507-K509 HydrophobicContact CG-CG 4.21Å; E507-K509 PolarHBondContact O-N 3.08Å; E507-K509 WeakPolarHBondContact OE1-CE 3.41Å; E507-K509 WeakPolarHBondContact OE1-CG 3.26Å; E507-K509 IonicContact OE1-NZ 2.75Å; K509-K511 PolarHBondContact O-N 3.11Å; K509-K511 VanDerWaalsContact O-N 3.09Å |
| 510 | V | 44.6 | Very low | 44.9 | Very low | 135 Ų | 135 | 149.5 Ų | 149.5 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | | | trans | -71.3 | 99.3 | 163.7 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | V508 E512 | V508-V510 PolarHBondContact O-N 3.41Å; V510-E512 PolarHBondContact O-N 3.15Å; V510-E512 VanDerWaalsContact O-N 3.12Å |
| 511 | K | 61.3 | Low | 44.4 | Very low | 163 Ų | 163 | 146.2 Ų | 146.2 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | | | trans | -77.7 | 93.1 | 168.2 | -167.5 | -169.2 | -175.5 | -166.8 | 0 | 108.4 | K509 E513 | K509-K511 PolarHBondContact O-N 3.11Å; K509-K511 VanDerWaalsContact O-N 3.09Å; K511-E513 WeakPolarHBondContact CE-OE2 3.2Å; K511-E513 IonicContact NZ-OE2 3.78Å; K511-E513 PolarHBondContact NZ-OE2 2.72Å; K511-E513 PolarHBondContact O-N 3.36Å |
| 512 | E | 54.6 | Low | 44.6 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | | | trans | -63.1 | 115.9 | 161.3 | -178 | 171.3 | -169.4 | 0 | 0 | 108.6 | V510 | V510-E512 PolarHBondContact O-N 3.15Å; V510-E512 VanDerWaalsContact O-N 3.12Å |
| 513 | E | 56.1 | Low | 44.2 | Very low | 140 Ų | 140 | 148.5 Ų | 148.5 | 65% | 0.654 | 74% | 0.741 | S | S | * | * | | | trans | -126.4 | 82.3 | 172.8 | -166.9 | 170.6 | 147.8 | 0 | 0 | 110 | K511 K515 | K511-E513 WeakPolarHBondContact CE-OE2 3.2Å; K511-E513 IonicContact NZ-OE2 3.78Å; K511-E513 PolarHBondContact NZ-OE2 2.72Å; K511-E513 PolarHBondContact O-N 3.36Å; E513-K515 PolarHBondContact O-N 2.93Å |
| 514 | R | 45 | Very low | 44 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 73% | 0.732 | 74% | 0.737 | S | S | * | * | | | trans | -16.4 | 116.2 | 151 | 179.5 | -174.3 | -175.3 | -166.2 | 1.9 | 113.3 | D517 | R514-D517 IonicContact CZ-OD2 3.44Å; R514-D517 IonicContact NE-OD2 2.81Å; R514-D517 PolarHBondContact NE-OD2 3.14Å; R514-D517 IonicContact NH2-OD2 2.7Å; R514-D517 PolarHBondContact NH2-OD2 3.43Å |
| 515 | K | 51.9 | Low | 43.8 | Very low | 156 Ų | 156 | 139.9 Ų | 139.9 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | | | trans | -113.4 | 133.7 | 168.9 | -175 | 168.1 | -171.7 | -84 | 0 | 110 | E513 | E513-K515 PolarHBondContact O-N 2.93Š|
| 516 | E | 49.3 | Very low | 43.8 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 65% | 0.65 | 73% | 0.733 | S | S | * | * | | | trans | 55.3 | 74.7 | 165 | -72.9 | 158 | -179.3 | 0 | 0 | 117.4 | | |
| 517 | D | 38.5 | Very low | 43.7 | Very low | 125 Ų | 125 | 140 Ų | 140 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | | | | -92.4 | 87.2 | 126.8 | -57.9 | -64.6 | 0 | 0 | 0 | 106.8 | R514 | R514-D517 IonicContact CZ-OD2 3.44Å; R514-D517 IonicContact NE-OD2 2.81Å; R514-D517 PolarHBondContact NE-OD2 3.14Å; R514-D517 IonicContact NH2-OD2 2.7Å; R514-D517 PolarHBondContact NH2-OD2 3.43Å |
| 518 | H | 43.3 | Very low | 43.5 | Very low | 155 Ų | 155 | 140.6 Ų | 140.6 | 72% | 0.718 | 73% | 0.725 | S | S | * | * | | | trans | -111.3 | 67 | 170 | -163.1 | -26.1 | 0 | 0 | 0 | 109.4 | | |
| 519 | D | 39.1 | Very low | 42.8 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 72% | 0.722 | 72% | 0.722 | S | S | * | * | | | trans | -65.9 | 157.7 | 174 | -134.4 | -51 | 0 | 0 | 0 | 111.4 | | |
| 520 | L | 42.2 | Very low | 42 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 69% | 0.686 | 73% | 0.726 | S | S | * | * | | | trans | -49.1 | 127.2 | -161.4 | -61.4 | 154.7 | 0 | 0 | 0 | 117.1 | T522 | L520-T522 VanDerWaalsContact C-N 3.27Å; L520-T522 WeakPolarHBondContact CB-OG1 3.45Å; L520-T522 PolarHBondContact O-N 2.85Å |
| 521 | P | 38.3 | Very low | 41.7 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 76% | 0.76 | 73% | 0.727 | S | S | * | * | | | trans | -85.7 | 70.9 | 142 | 34.6 | -30.1 | 0 | 0 | 0 | 109.3 | | |
| 522 | T | 39.2 | Very low | 40.1 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | | | trans | -63.6 | 132.9 | 170.8 | -68.9 | 0 | 0 | 0 | 0 | 109.8 | L520 | L520-T522 VanDerWaalsContact C-N 3.27Å; L520-T522 WeakPolarHBondContact CB-OG1 3.45Å; L520-T522 PolarHBondContact O-N 2.85Å |
| 523 | E | 34.4 | Very low | 39.2 | Very low | 172 Ų | 172 | 135.1 Ų | 135.1 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | 41.1 | 104.2 | 153.4 | -143.4 | 168.1 | 131.2 | 0 | 0 | 117.1 | | |
| 524 | A | 31.2 | Very low | 38.5 | Very low | 87 Ų | 87 | 134.3 Ų | 134.3 | 72% | 0.719 | 72% | 0.72 | S | S | * | * | | | | 65.2 | 157.6 | 68.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 525 | P | 39 | Very low | 38.5 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 72% | 0.719 | S | S | * | * | | | | -125.9 | 134.1 | -105.5 | 27.7 | -8.1 | 0 | 0 | 0 | 115.8 | | |
| 526 | Q | 36.8 | Very low | 38.2 | Very low | 183 Ų | 183 | 128.1 Ų | 128.1 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | | | trans | -150.9 | 130.4 | 157.3 | -91.7 | 123.7 | 87.2 | 0 | 0 | 108.1 | | |
| 527 | A | 33.5 | Very low | 37.6 | Very low | 77 Ų | 77 | 126.1 Ų | 126.1 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | | | cis | 102.3 | 138.3 | 15.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 528 | H | 36 | Very low | 37.5 | Very low | 162 Ų | 162 | 125.5 Ų | 125.5 | 75% | 0.75 | 73% | 0.728 | S | S | * | * | | | trans | 84 | 119.3 | 163.1 | -53.5 | -55.8 | 0 | 0 | 0 | 121.2 | | |
| 529 | R | 31.6 | Very low | 37.1 | Very low | 212 Ų | 212 | 123.9 Ų | 123.9 | 80% | 0.8 | 73% | 0.733 | S | S | * | * | | | trans | 67.3 | 103.3 | 131.3 | -66.5 | -178.4 | -178.1 | -165.6 | 1 | 117.8 | | |
| 530 | T | 35.7 | Very low | 36.9 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 78% | 0.779 | 73% | 0.731 | S | S | * | * | | | | 69.8 | 120.6 | 75.6 | 63.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 531 | S | 39 | Very low | 36.6 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 84% | 0.839 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 68.8 | 155.9 | -176.2 | -161.2 | 0 | 0 | 0 | 0 | 115 | | |
| 532 | E | 28.3 | Very low | 36.6 | Very low | 124 Ų | 124 | 119 Ų | 119 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -68.4 | 127.4 | 163.9 | 92.7 | -179.5 | -114.3 | 0 | 0 | 109.7 | R455 | R455-E532 IonicContact CZ-OE1 2.69Å; R455-E532 IonicContact CZ-OE2 3.31Å; R455-E532 IonicContact NH1-OE1 3.04Å; R455-E532 PolarHBondContact NH1-OE1 2.86Å; R455-E532 IonicContact NH1-OE2 3.65Å; R455-E532 PolarHBondContact NH1-OE2 3.42Å; R455-E532 VanDerWaalsContact NH2-CD 3.29Å; R455-E532 IonicContact NH2-OE1 3.38Å; R455-E532 IonicContact NH2-OE2 3.6Å; R455-E532 PolarHBondContact NH2-OE2 2.96Å |
| 533 | A | 35 | Very low | 36.6 | Very low | 81 Ų | 81 | 120.2 Ų | 120.2 | 67% | 0.669 | 75% | 0.746 | S | S | * | * | | | trans | 53.8 | 158.8 | 153.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 534 | P | 41.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 118.2 Ų | 118.2 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | | | cis | -118.7 | -117.6 | -31.4 | 35 | -14.4 | 0 | 0 | 0 | 110.5 | | |
| 535 | P | 45.3 | Very low | 37.2 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | | | trans | -125.2 | -152.4 | -154.1 | 44.9 | -22.2 | 0 | 0 | 0 | 112.1 | | |
| 536 | P | 45.2 | Very low | 37.5 | Very low | 108 Ų | 108 | 122.9 Ų | 122.9 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | cis | -128.4 | -171.4 | -20.9 | 34.8 | -14.5 | 0 | 0 | 0 | 114.1 | | |
| 537 | S | 37.5 | Very low | 37.6 | Very low | 98 Ų | 98 | 117.4 Ų | 117.4 | 69% | 0.685 | 75% | 0.745 | S | S | * | * | | | trans | 65.4 | 113.4 | 144.9 | 62.7 | 0 | 0 | 0 | 0 | 123 | | |
| 538 | S | 34.6 | Very low | 38.5 | Very low | 112 Ų | 112 | 119.2 Ų | 119.2 | 78% | 0.783 | 75% | 0.751 | S | S | * | * | | | | 73.1 | 131 | 119.1 | -54.3 | 0 | 0 | 0 | 0 | 123.7 | | |
| 539 | S | 35.6 | Very low | 39 | Very low | 120 Ų | 120 | 119.3 Ų | 119.3 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | | | trans | 105.5 | 147.9 | 134.2 | 80.8 | 0 | 0 | 0 | 0 | 121.7 | | |
| 540 | A | 35.3 | Very low | 39.6 | Very low | 81 Ų | 81 | 113.1 Ų | 113.1 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | | | trans | 80.2 | 108.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 541 | S | 35.1 | Very low | 39.7 | Very low | 120 Ų | 120 | 112.5 Ų | 112.5 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | | | trans | 78.3 | 152.8 | 132.8 | 84.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 542 | A | 38.5 | Very low | 39.8 | Very low | 81 Ų | 81 | 115 Ų | 115 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | | | cis | -156.9 | 177.1 | 1.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 543 | S | 38.7 | Very low | 40.7 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | 72.8 | 137.8 | 143.1 | -74.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 544 | V | 40.4 | Very low | 40.8 | Very low | 129 Ų | 129 | 117.9 Ų | 117.9 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | | | cis | -148.2 | 165.3 | -8.2 | -154.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 545 | H | 37.9 | Very low | 40.6 | Very low | 172 Ų | 172 | 117.2 Ų | 117.2 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | | | trans | -66.7 | -172.4 | 169.6 | -54.2 | -87.3 | 0 | 0 | 0 | 114.5 | | |
| 546 | P | 45.5 | Very low | 40.2 | Very low | 125 Ų | 125 | 118.1 Ų | 118.1 | 81% | 0.812 | 76% | 0.758 | S | S | * | * | | | cis | -141.2 | -176.6 | 7.1 | 42 | -20.7 | 0 | 0 | 0 | 118.8 | | |
| 547 | G | 39.7 | Very low | 39.8 | Very low | 67 Ų | 67 | 116.3 Ų | 116.3 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | -94 | -135.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 548 | P | 53.3 | Low | 39.6 | Very low | 116 Ų | 116 | 117.2 Ų | 117.2 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | | | cis | -144.1 | -156.2 | 0.3 | 33.4 | -7 | 0 | 0 | 0 | 115.1 | | |
| 549 | L | 45.9 | Very low | 39.5 | Very low | 164 Ų | 164 | 118.3 Ų | 118.3 | 86% | 0.859 | 76% | 0.762 | S | S | * | * | | | trans | 82.7 | 148.2 | 162.4 | -49.7 | -175.9 | 0 | 0 | 0 | 119.2 | | |
| 550 | A | 43.3 | Very low | 39.6 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | | | cis | -168.8 | 162.4 | -21 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 551 | S | 37.6 | Very low | 39.5 | Very low | 114 Ų | 114 | 119 Ų | 119 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | | | trans | 61.1 | 127.4 | 156.5 | -67.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 552 | M | 42.1 | Very low | 39.7 | Very low | 172 Ų | 172 | 121.8 Ų | 121.8 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | | | | 94.4 | 164.4 | 52.5 | -69.8 | -79.3 | 174.5 | 0 | 0 | 112.8 | | |
| 553 | P | 46.1 | Very low | 39.9 | Very low | 95 Ų | 95 | 122.6 Ų | 122.6 | 62% | 0.617 | 76% | 0.764 | S | S | * | * | | | | -136.7 | -172.7 | -83.4 | 39.7 | -19.7 | 0 | 0 | 0 | 115.5 | | |
| 554 | M | 38.3 | Very low | 39.6 | Very low | 172 Ų | 172 | 125.8 Ų | 125.8 | 85% | 0.847 | 77% | 0.768 | S | S | * | * | | | trans | 68.4 | 167.9 | 157.2 | -76.1 | -151.1 | -68.3 | 0 | 0 | 118 | | |
| 555 | T | 36.6 | Very low | 39.7 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | cis | -168.7 | 159.2 | -27.4 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 556 | V | 38 | Very low | 39.5 | Very low | 129 Ų | 129 | 121.9 Ų | 121.9 | 78% | 0.782 | 75% | 0.754 | S | S | * | * | | | trans | 38.5 | 149.6 | 171.1 | -121.6 | 0 | 0 | 0 | 0 | 123.1 | V558 | V556-V558 HydrophobicContact CG1-CG2 4.16Š|
| 557 | G | 35.7 | Very low | 39 | Very low | 70 Ų | 70 | 123.5 Ų | 123.5 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | trans | 139.7 | 76.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 558 | V | 33.9 | Very low | 38.7 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.715 | 76% | 0.757 | S | S | * | * | | | | 79.4 | 131.8 | 69.2 | 176.8 | 0 | 0 | 0 | 0 | 114.5 | V556 | V556-V558 HydrophobicContact CG1-CG2 4.16Š|
| 559 | T | 32.3 | Very low | 38 | Very low | 135 Ų | 135 | 124 Ų | 124 | 83% | 0.828 | 76% | 0.762 | S | S | * | * | | | trans | 65 | 133.4 | 176.4 | 49.9 | 0 | 0 | 0 | 0 | 119.2 | | |
| 560 | G | 38.3 | Very low | 38 | Very low | 60 Ų | 60 | 123.3 Ų | 123.3 | 62% | 0.619 | 76% | 0.758 | S | S | * | * | | | trans | 178.4 | 40.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H562 | G560-H562 PolarHBondContact O-N 3.45Š|
| 561 | I | 32.8 | Very low | 37.8 | Very low | 155 Ų | 155 | 124.7 Ų | 124.7 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | | | trans | -82.3 | 94.5 | -167.7 | 43.5 | 162.7 | 0 | 0 | 0 | 113.2 | | |
| 562 | H | 39 | Very low | 38.1 | Very low | 178 Ų | 178 | 129.9 Ų | 129.9 | 82% | 0.824 | 76% | 0.756 | S | S | * | * | | | trans | -132.4 | 93.7 | 173.1 | -45.6 | -41.9 | 0 | 0 | 0 | 111.8 | G560 | G560-H562 PolarHBondContact O-N 3.45Š|
| 563 | A | 41.8 | Very low | 38 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | trans | -114.9 | 104.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 564 | M | 33.9 | Very low | 37.8 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | | | trans | -167.8 | 108.2 | 175.6 | -106.1 | 158.2 | 74.6 | 0 | 0 | 111.3 | | |
| 565 | N | 41.4 | Very low | 37.7 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 79% | 0.786 | 74% | 0.744 | S | S | * | * | | | | -169.7 | 102.8 | 115.4 | -139.1 | 26.4 | 0 | 0 | 0 | 107.7 | | |
| 566 | S | 34.1 | Very low | 37.8 | Very low | 72 Ų | 72 | 130 Ų | 130 | 50% | 0.503 | 75% | 0.746 | S | S | . | * | | | | 71.7 | 118.7 | 90.4 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 567 | I | 34.8 | Very low | 37.7 | Very low | 160 Ų | 160 | 129.6 Ų | 129.6 | 82% | 0.821 | 74% | 0.743 | S | S | * | * | | | | 52 | 108.3 | 83 | -51.9 | 155.4 | 0 | 0 | 0 | 108.8 | | |
| 568 | G | 34.5 | Very low | 38.5 | Very low | 72 Ų | 72 | 131.6 Ų | 131.6 | 74% | 0.742 | 74% | 0.744 | S | S | * | * | | | cis | 98.7 | 126 | 24.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 569 | S | 37.6 | Very low | 38.8 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | | | trans | -147 | 131.4 | 169 | -169.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 570 | L | 45.2 | Very low | 39.3 | Very low | 149 Ų | 149 | 135.5 Ų | 135.5 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | | | trans | -88.1 | -154 | 162.7 | -155.7 | 78.4 | 0 | 0 | 0 | 108 | | |
| 571 | D | 39.4 | Very low | 39.3 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 59% | 0.588 | 75% | 0.748 | S | S | * | * | | | trans | 74.1 | 88 | 157.8 | -66.3 | -63.7 | 0 | 0 | 0 | 119.8 | | |
| 572 | R | 44.6 | Very low | 39.6 | Very low | 224 Ų | 224 | 137 Ų | 137 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | | | | -165.7 | 127.9 | 100.6 | -93.5 | 146.1 | -171.4 | -172.9 | 1.2 | 109.3 | | |
| 573 | T | 39.6 | Very low | 39.3 | Very low | 102 Ų | 102 | 133.9 Ų | 133.9 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | | | cis | 68.9 | 104.1 | 23.3 | -42.2 | 0 | 0 | 0 | 0 | 114 | | |
| 574 | R | 42.6 | Very low | 39.4 | Very low | 185 Ų | 185 | 135.1 Ų | 135.1 | 70% | 0.698 | 75% | 0.753 | S | S | * | * | | | | -179.1 | 125 | 129.3 | -95.2 | 150.1 | -164.9 | -77.5 | -4.6 | 113.6 | | |
| 575 | M | 35.1 | Very low | 39.8 | Very low | 146 Ų | 146 | 134.2 Ų | 134.2 | 72% | 0.719 | 75% | 0.75 | S | S | * | * | | | trans | 58.2 | 145.9 | 130.4 | -45.7 | 178.8 | -45.7 | 0 | 0 | 118.1 | | |
| 576 | V | 39.2 | Very low | 39.8 | Very low | 118 Ų | 118 | 133 Ų | 133 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | | | cis | -158.1 | 119.7 | 37.6 | 160 | 0 | 0 | 0 | 0 | 105.7 | | |
| 577 | T | 36.3 | Very low | 39.9 | Very low | 119 Ų | 119 | 133.5 Ų | 133.5 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | | | | 54.7 | 151.8 | 73 | 67 | 0 | 0 | 0 | 0 | 116.5 | | |
| 578 | P | 52 | Low | 39.9 | Very low | 112 Ų | 112 | 129.4 Ų | 129.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | | -134.7 | 176.1 | -56 | 40.8 | -26.3 | 0 | 0 | 0 | 112.6 | | |
| 579 | F | 40.2 | Very low | 40.2 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | | | trans | -163.5 | 168.8 | 144.1 | -132.6 | -126.2 | 0 | 0 | 0 | 115.1 | | |
| 580 | M | 42.3 | Very low | 40.2 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | | | trans | -65.2 | 160.2 | -173.6 | -63.4 | 95.9 | 70.1 | 0 | 0 | 115.3 | | |
| 581 | G | 39.9 | Very low | 39.7 | Very low | 68 Ų | 68 | 142.1 Ų | 142.1 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | cis | 154.2 | -171.7 | -7.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 582 | L | 37.7 | Very low | 39.8 | Very low | 179 Ų | 179 | 141.2 Ų | 141.2 | 94% | 0.937 | 77% | 0.774 | S | S | * | * | | | trans | 69.1 | 112.7 | 169.5 | -51.9 | -179.5 | 0 | 0 | 0 | 118.7 | | |
| 583 | S | 34.1 | Very low | 39.3 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | | | trans | -94.3 | 170.4 | 155.6 | -45.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 584 | P | 42.2 | Very low | 39.6 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 75% | 0.753 | S | S | * | * | | | | -146.8 | 168.1 | 84.4 | 38.2 | -21 | 0 | 0 | 0 | 116.2 | | |
| 585 | I | 42.6 | Very low | 39 | Very low | 163 Ų | 163 | 129.4 Ų | 129.4 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | | | trans | -114.2 | 137.9 | 169.6 | -55.5 | 166.5 | 0 | 0 | 0 | 108.2 | | |
| 586 | P | 40.9 | Very low | 39.5 | Very low | 122 Ų | 122 | 130.1 Ų | 130.1 | 79% | 0.792 | 74% | 0.74 | S | S | * | * | | | trans | -147.1 | 153.5 | 145.3 | 36 | -19.4 | 0 | 0 | 0 | 116.5 | | |
| 587 | G | 37.1 | Very low | 39.8 | Very low | 81 Ų | 81 | 130.6 Ų | 130.6 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | | | trans | 87.8 | 147.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 588 | G | 35.6 | Very low | 40 | Very low | 74 Ų | 74 | 135 Ų | 135 | 76% | 0.763 | 74% | 0.737 | S | S | * | * | | | cis | 129 | 136.8 | 9.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 589 | E | 39.8 | Very low | 39.4 | Very low | 195 Ų | 195 | 133.6 Ų | 133.6 | 91% | 0.911 | 72% | 0.724 | S | S | * | * | | | cis | -145.4 | -161.3 | 11.6 | -56 | -166.2 | 167.5 | 0 | 0 | 113.2 | | |
| 590 | R | 37.5 | Very low | 39.7 | Very low | 219 Ų | 219 | 129.8 Ų | 129.8 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | | | trans | -63.1 | 144.8 | -174.8 | -60.1 | 162.7 | 163.1 | -175.6 | -5.7 | 114.6 | | |
| 591 | F | 34.7 | Very low | 40.2 | Very low | 196 Ų | 196 | 130.6 Ų | 130.6 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | | | | -172.8 | 176.4 | 117.9 | -102.2 | -58.7 | 0 | 0 | 0 | 110.4 | | |
| 592 | P | 42.9 | Very low | 41 | Very low | 90 Ų | 90 | 137.7 Ų | 137.7 | 58% | 0.584 | 73% | 0.727 | S | S | * | * | | | | -124.3 | 167.9 | -125 | 44.2 | -31.3 | 0 | 0 | 0 | 118.7 | | |
| 593 | Y | 32.1 | Very low | 41.5 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 43% | 0.427 | 70% | 0.702 | S | S | . | * | | | trans | 65.3 | 170.6 | 170.1 | -82.6 | -60.5 | 0 | 0 | 0 | 114.9 | D613 R617 | Y593-D613 WeakPolarHBondContact CE1-OD2 3.22Å; Y593-D613 PolarHBondContact OH-OD1 3.06Å; Y593-D613 PolarHBondContact OH-OD2 3.43Å; Y593-R617 HydrophobicContact CD1-CG 4.05Å; Y593-R617 HydrophobicContact CD2-CG 4.18Å; Y593-R617 HydrophobicContact CE1-CG 4.04Å; Y593-R617 HydrophobicContact CE2-CG 4.21Å; Y593-R617 HydrophobicContact CG-CG 4.1Å; Y593-R617 PolarHBondContact OH-NE 3.18Å; Y593-R617 PolarHBondContact OH-NH2 2.82Å |
| 594 | P | 46.1 | Very low | 42.6 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 60% | 0.597 | 70% | 0.701 | S | S | * | * | | | cis | -110.7 | 165.5 | 0.5 | 29.8 | -11.5 | 0 | 0 | 0 | 115.5 | F596 | P594-F596 HydrophobicContact CG-CE2 3.86Å; P594-F596 HydrophobicContact CG-CZ 4.45Å |
| 595 | S | 30.7 | Very low | 43.3 | Very low | 63 Ų | 63 | 134.9 Ų | 134.9 | 44% | 0.441 | 70% | 0.703 | S | S | . | * | | | trans | -88 | 115.9 | 176.4 | -52.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 596 | F | 45 | Very low | 44.1 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | | | trans | -95.6 | 146.6 | 168 | -75.4 | -79.3 | 0 | 0 | 0 | 111 | P594 | P594-F596 HydrophobicContact CG-CE2 3.86Å; P594-F596 HydrophobicContact CG-CZ 4.45Å |
| 597 | H | 47 | Very low | 44.4 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 59% | 0.593 | 69% | 0.685 | S | S | * | * | | | trans | -118.7 | 17.9 | -142.8 | 54.8 | -100.6 | 0 | 0 | 0 | 114.7 | D599 | H597-D599 PolarHBondContact O-N 3.04Š|
| 598 | W | 40.4 | Very low | 45.5 | Very low | 210 Ų | 210 | 137 Ų | 137 | 80% | 0.795 | 68% | 0.681 | S | S | * | * | | | trans | -84.5 | 11.7 | -155.7 | 55.9 | -104.1 | 0 | 0 | 0 | 117.6 | | |
| 599 | D | 38.6 | Very low | 46.1 | Very low | 84 Ų | 84 | 142.1 Ų | 142.1 | 45% | 0.449 | 68% | 0.678 | S | S | . | * | | | trans | -139.1 | 81.1 | 166.7 | -166.4 | 4 | 0 | 0 | 0 | 115.1 | H597 M601 R602 | H597-D599 PolarHBondContact O-N 3.04Å; D599-M601 VanDerWaalsContact C-N 3.34Å; D599-M601 PolarHBondContact OD1-N 3.36Å; D599-R602 WeakPolarHBondContact OD1-CB 3.41Å; D599-R602 WeakPolarHBondContact OD1-CG 3.45Å; D599-R602 PolarHBondContact OD1-N 2.9Å; D599-R602 WeakPolarHBondContact OD2-CB 3.19Å; D599-R602 WeakPolarHBondContact OD2-CD 3.25Å; D599-R602 VanDerWaalsContact OD2-CG 3.29Å; D599-R602 WeakPolarHBondContact OD2-CG 3.44Å |
| 600 | P | 47.5 | Very low | 46.9 | Very low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -88.4 | -0.7 | 160.1 | -4.5 | 25.1 | 0 | 0 | 0 | 112.8 | | |
| 601 | M | 51.5 | Low | 47.5 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 82% | 0.823 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -100.9 | -18.8 | -162.1 | -81.6 | -75.3 | -68 | 0 | 0 | 114 | D599 | D599-M601 VanDerWaalsContact C-N 3.34Å; D599-M601 PolarHBondContact OD1-N 3.36Å |
| 602 | R | 57.9 | Low | 48.6 | Very low | 218 Ų | 218 | 133.3 Ų | 133.3 | 82% | 0.823 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -87.5 | -16.9 | -177.7 | -74.4 | -169.3 | 165.5 | -100.5 | -3.3 | 116.1 | D599 | D599-R602 WeakPolarHBondContact OD1-CB 3.41Å; D599-R602 WeakPolarHBondContact OD1-CG 3.45Å; D599-R602 PolarHBondContact OD1-N 2.9Å; D599-R602 WeakPolarHBondContact OD2-CB 3.19Å; D599-R602 WeakPolarHBondContact OD2-CD 3.25Å; D599-R602 VanDerWaalsContact OD2-CG 3.29Å; D599-R602 WeakPolarHBondContact OD2-CG 3.44Å |
| 603 | D | 47 | Very low | 49.1 | Very low | 76 Ų | 76 | 131.3 Ų | 131.3 | 41% | 0.406 | 64% | 0.635 | S | S | . | * | | | trans | -149.8 | 91.9 | 177 | -171.3 | -7.5 | 0 | 0 | 0 | 112 | L605 R606 | D603-L605 PolarHBondContact O-N 2.74Å; D603-L605 PolarHBondContact OD1-N 2.68Å; D603-L605 VanDerWaalsContact OD1-N 3.1Å; D603-R606 HydrophobicContact CB-CB 4.3Å; D603-R606 VanDerWaalsContact OD2-CD 3.28Å; D603-R606 WeakPolarHBondContact OD2-CD 3.33Å; D603-R606 WeakPolarHBondContact OD2-CG 3.37Å |
| 604 | P | 57.5 | Low | 49.9 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -3.2 | 179.2 | -23.8 | 35.4 | 0 | 0 | 0 | 115.7 | | |
| 605 | L | 57.6 | Low | 50.2 | Low | 161 Ų | 161 | 136.1 Ų | 136.1 | 84% | 0.843 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -0.3 | -173 | -59.2 | 177.2 | 0 | 0 | 0 | 113.8 | D603 | D603-L605 PolarHBondContact O-N 2.74Å; D603-L605 PolarHBondContact OD1-N 2.68Å; D603-L605 VanDerWaalsContact OD1-N 3.1Å |
| 606 | R | 59.3 | Low | 51.4 | Low | 210 Ų | 210 | 143.1 Ų | 143.1 | 79% | 0.792 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -99.3 | -29.8 | -156.4 | -124.8 | -170 | 171.5 | -155.7 | -9.3 | 120 | D603 | D603-R606 HydrophobicContact CB-CB 4.3Å; D603-R606 VanDerWaalsContact OD2-CD 3.28Å; D603-R606 WeakPolarHBondContact OD2-CD 3.33Å; D603-R606 WeakPolarHBondContact OD2-CG 3.37Å |
| 607 | D | 47 | Very low | 51.6 | Low | 87 Ų | 87 | 140.3 Ų | 140.3 | 47% | 0.465 | 66% | 0.656 | S | S | . | * | | | trans | -159.5 | 94.6 | 175.3 | -165.4 | -16.7 | 0 | 0 | 0 | 113.1 | Y609 R610 | D607-Y609 VanDerWaalsContact C-N 3.25Å; D607-Y609 PolarHBondContact O-N 2.93Å; D607-Y609 PolarHBondContact OD1-N 2.95Å; D607-Y609 VanDerWaalsContact OD1-N 3.08Å; D607-R610 HydrophobicContact CB-CG 4.13Å; D607-R610 WeakPolarHBondContact OD2-CG 3.28Å; D607-R610 IonicContact OD2-NE 3.16Å; D607-R610 PolarHBondContact OD2-NE 3.4Å |
| 608 | P | 59 | Low | 51.3 | Low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 8.3 | 179 | 33.4 | -35.3 | 0 | 0 | 0 | 114.5 | | |
| 609 | Y | 48.9 | Very low | 52 | Low | 181 Ų | 181 | 134.4 Ų | 134.4 | 71% | 0.71 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.4 | 1.8 | -176 | -74.9 | -80.3 | 0 | 0 | 0 | 114.5 | D607 | D607-Y609 VanDerWaalsContact C-N 3.25Å; D607-Y609 PolarHBondContact O-N 2.93Å; D607-Y609 PolarHBondContact OD1-N 2.95Å; D607-Y609 VanDerWaalsContact OD1-N 3.08Å |
| 610 | R | 55.8 | Low | 52.6 | Low | 150 Ų | 150 | 136.8 Ų | 136.8 | 57% | 0.566 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -72.3 | -29.5 | -169.1 | -90.3 | -77.4 | 167.1 | 177.4 | 0 | 116.5 | D607 L612 D613 | D607-R610 HydrophobicContact CB-CG 4.13Å; D607-R610 WeakPolarHBondContact OD2-CG 3.28Å; D607-R610 IonicContact OD2-NE 3.16Å; D607-R610 PolarHBondContact OD2-NE 3.4Å; R610-L612 PolarHBondContact O-N 3.28Å; R610-D613 PolarHBondContact O-N 3.42Å |
| 611 | D | 51.9 | Low | 52.7 | Low | 139 Ų | 139 | 134.6 Ų | 134.6 | 74% | 0.743 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -64.3 | -22 | -175.8 | -66.4 | -72.8 | 0 | 0 | 0 | 114 | D613 | D611-D613 VanDerWaalsContact C-N 3.35Å; D611-D613 PolarHBondContact O-N 3.36Å |
| 612 | L | 56.8 | Low | 52.6 | Low | 137 Ų | 137 | 136.7 Ų | 136.7 | 72% | 0.717 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -73.3 | -20 | -176.4 | -69.4 | 167.3 | 0 | 0 | 0 | 114.3 | R610 | R610-L612 PolarHBondContact O-N 3.28Š|
| 613 | D | 53.9 | Low | 52.1 | Low | 48 Ų | 48 | 132 Ų | 132 | 26% | 0.257 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -88.2 | -17.2 | -172.6 | -161.6 | 48.2 | 0 | 0 | 0 | 114.1 | Y593 R610 D611 H615 | Y593-D613 WeakPolarHBondContact CE1-OD2 3.22Å; Y593-D613 PolarHBondContact OH-OD1 3.06Å; Y593-D613 PolarHBondContact OH-OD2 3.43Å; R610-D613 PolarHBondContact O-N 3.42Å; D611-D613 VanDerWaalsContact C-N 3.35Å; D611-D613 PolarHBondContact O-N 3.36Å; D613-H615 VanDerWaalsContact C-N 3.3Å; D613-H615 PolarHBondContact O-N 3.45Å |
| 614 | M | 49 | Very low | 52 | Low | 124 Ų | 124 | 137.9 Ų | 137.9 | 61% | 0.611 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -70.4 | -23 | 179.9 | -86 | -171.4 | 60.8 | 0 | 0 | 113.8 | R616 | M614-R616 VanDerWaalsContact C-N 3.26Å; M614-R616 PolarHBondContact O-N 3.33Å |
| 615 | H | 52.5 | Low | 51.6 | Low | 177 Ų | 177 | 139.5 Ų | 139.5 | 82% | 0.819 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -76.2 | -3 | -177.7 | -81.8 | -70.5 | 0 | 0 | 0 | 115.4 | D613 | D613-H615 VanDerWaalsContact C-N 3.3Å; D613-H615 PolarHBondContact O-N 3.45Å |
| 616 | R | 55.5 | Low | 51 | Low | 211 Ų | 211 | 139.6 Ų | 139.6 | 80% | 0.796 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -99.2 | 7.2 | -178 | -81.1 | -179.2 | 168.7 | 168.6 | -2.4 | 115 | M614 | M614-R616 VanDerWaalsContact C-N 3.26Å; M614-R616 PolarHBondContact O-N 3.33Å |
| 617 | R | 49 | Very low | 50.3 | Low | 102 Ų | 102 | 140.4 Ų | 140.4 | 39% | 0.385 | 68% | 0.676 | S | S | . | * | S | Bend | trans | -102.1 | -13.3 | -153.2 | -82.7 | -66 | 175.5 | 173.7 | -5.4 | 121.2 | Y593 | Y593-R617 HydrophobicContact CD1-CG 4.05Å; Y593-R617 HydrophobicContact CD2-CG 4.18Å; Y593-R617 HydrophobicContact CE1-CG 4.04Å; Y593-R617 HydrophobicContact CE2-CG 4.21Å; Y593-R617 HydrophobicContact CG-CG 4.1Å; Y593-R617 PolarHBondContact OH-NE 3.18Å; Y593-R617 PolarHBondContact OH-NH2 2.82Å |
| 618 | D | 41.8 | Very low | 50 | Low | 108 Ų | 108 | 144.3 Ų | 144.3 | 58% | 0.578 | 70% | 0.697 | S | S | * | * | | | trans | -143.6 | 121.5 | 173.7 | 177.9 | 30.5 | 0 | 0 | 0 | 112.6 | L620 G621 | D618-L620 PolarHBondContact OD1-N 2.69Å; D618-G621 WeakPolarHBondContact OD2-CA 3.35Å; D618-G621 PolarHBondContact OD2-N 3.4Å |
| 619 | P | 54.9 | Low | 49 | Very low | 106 Ų | 106 | 145 Ų | 145 | 69% | 0.688 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -94.4 | -2.8 | 174.2 | 36.2 | -32.3 | 0 | 0 | 0 | 114.8 | | |
| 620 | L | 50.5 | Low | 48.9 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -109.1 | -19.1 | -171 | -63.8 | 178.4 | 0 | 0 | 0 | 115.2 | D618 R622 | D618-L620 PolarHBondContact OD1-N 2.69Å; L620-R622 PolarHBondContact O-N 3.39Å |
| 621 | G | 48.9 | Very low | 48.3 | Very low | 58 Ų | 58 | 141.6 Ų | 141.6 | 60% | 0.598 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 3.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | D618 | D618-G621 WeakPolarHBondContact OD2-CA 3.35Å; D618-G621 PolarHBondContact OD2-N 3.4Å |
| 622 | R | 49 | Very low | 47.9 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 80% | 0.796 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | -16.1 | -163 | -138.2 | 172.7 | -168.9 | 176.7 | 3.1 | 116.1 | L620 | L620-R622 PolarHBondContact O-N 3.39Š|
| 623 | D | 47.7 | Very low | 47.4 | Very low | 120 Ų | 120 | 148.2 Ų | 148.2 | 64% | 0.642 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -95.4 | -11.1 | -160.9 | -55.9 | -39.2 | 0 | 0 | 0 | 115 | | |
| 624 | F | 45.8 | Very low | 46.7 | Very low | 199 Ų | 199 | 154.8 Ų | 154.8 | 87% | 0.873 | 75% | 0.752 | S | S | * | * | G | 310 helix | trans | -87.8 | 0.9 | -174.5 | -84 | -86.7 | 0 | 0 | 0 | 115.5 | | |
| 625 | L | 49.2 | Very low | 46.3 | Very low | 155 Ų | 155 | 153.5 Ų | 153.5 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -110.3 | 7.1 | -171.7 | -70.3 | 174.1 | 0 | 0 | 0 | 115.6 | | |
| 626 | L | 43.8 | Very low | 45.6 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 85% | 0.848 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -115.1 | 25.4 | -177 | -90.8 | 84.1 | 0 | 0 | 0 | 114.7 | | |
| 627 | R | 45.1 | Very low | 45.2 | Very low | 227 Ų | 227 | 146 Ų | 146 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | | | trans | -143.8 | 80.9 | -176.9 | -167.6 | 175.2 | -178.1 | 155.6 | 1 | 114.7 | | |
| 628 | N | 41 | Very low | 44.7 | Very low | 170 Ų | 170 | 151.9 Ų | 151.9 | 91% | 0.909 | 77% | 0.77 | S | S | * | * | | | trans | -170.6 | 132.9 | 144.2 | -91.5 | -37.5 | 0 | 0 | 0 | 109.8 | | |
| 629 | D | 37.8 | Very low | 44.8 | Very low | 126 Ų | 126 | 153.7 Ų | 153.7 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | | | trans | -111.8 | 123.7 | -170.1 | 178.3 | 16.8 | 0 | 0 | 0 | 111.4 | L631 | D629-L631 PolarHBondContact O-N 3.31Å; D629-L631 VanDerWaalsContact O-N 3.1Å |
| 630 | P | 48 | Very low | 44 | Very low | 125 Ų | 125 | 157.8 Ų | 157.8 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -87.4 | 61.2 | -170.7 | 36.3 | -38 | 0 | 0 | 0 | 114.2 | | |
| 631 | L | 41.3 | Very low | 43.4 | Very low | 135 Ų | 135 | 158.3 Ų | 158.3 | 71% | 0.707 | 78% | 0.781 | S | S | * | * | | | trans | -107.3 | 40.5 | -178.7 | -79.3 | 178.9 | 0 | 0 | 0 | 115.9 | D629 | D629-L631 PolarHBondContact O-N 3.31Å; D629-L631 VanDerWaalsContact O-N 3.1Å |
| 632 | H | 44.6 | Very low | 43 | Very low | 185 Ų | 185 | 158.8 Ų | 158.8 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -138.6 | 138.5 | 168.1 | -81.7 | -63.5 | 0 | 0 | 0 | 114.5 | | |
| 633 | R | 45.6 | Very low | 42.8 | Very low | 231 Ų | 231 | 154.6 Ų | 154.6 | 87% | 0.872 | 77% | 0.772 | S | S | * | * | | | trans | 71.3 | 57 | 169.2 | -60.7 | -175.8 | 177.3 | 171.6 | -0 | 117.4 | S635 | R633-S635 PolarHBondContact O-N 3.08Š|
| 634 | L | 40.8 | Very low | 42.6 | Very low | 185 Ų | 185 | 157.5 Ų | 157.5 | 97% | 0.969 | 78% | 0.775 | S | S | * | * | | | trans | -61.2 | 103.4 | 138.8 | -73 | 168.7 | 0 | 0 | 0 | 109.4 | | |
| 635 | S | 38.9 | Very low | 42.1 | Very low | 98 Ų | 98 | 153.4 Ų | 153.4 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | trans | -158.5 | 87 | 168.4 | 57.9 | 0 | 0 | 0 | 0 | 111.9 | R633 | R633-S635 PolarHBondContact O-N 3.08Š|
| 636 | T | 38.9 | Very low | 41.8 | Very low | 132 Ų | 132 | 153.8 Ų | 153.8 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | -77.1 | -170.1 | 164.2 | 57.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 637 | P | 45.8 | Very low | 41.9 | Very low | 99 Ų | 99 | 156.4 Ų | 156.4 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | | | cis | -148.1 | -173.5 | 8.3 | 34 | -7.9 | 0 | 0 | 0 | 118.5 | | |
| 638 | R | 40.1 | Very low | 41.5 | Very low | 225 Ų | 225 | 153.5 Ų | 153.5 | 85% | 0.849 | 77% | 0.766 | S | S | * | * | | | trans | 78 | 161.7 | 159.6 | -47.4 | -171.7 | 174.7 | 160.7 | -3.1 | 117.2 | | |
| 639 | L | 42.5 | Very low | 41.8 | Very low | 146 Ų | 146 | 155.9 Ų | 155.9 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | cis | -140 | 152.8 | 13.5 | -85.8 | 170.2 | 0 | 0 | 0 | 113.3 | | |
| 640 | Y | 38.5 | Very low | 42 | Very low | 191 Ų | 191 | 156.7 Ų | 156.7 | 75% | 0.749 | 76% | 0.762 | S | S | * | * | | | trans | 60 | 133.5 | 154.3 | -109.2 | -118 | 0 | 0 | 0 | 119.5 | | |
| 641 | E | 38.1 | Very low | 41.9 | Very low | 145 Ų | 145 | 156.9 Ų | 156.9 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | | | | 63.8 | 142.5 | 51 | -83.7 | -155 | 135.9 | 0 | 0 | 114.3 | | |
| 642 | A | 41 | Very low | 42 | Very low | 68 Ų | 68 | 155.1 Ų | 155.1 | 56% | 0.562 | 75% | 0.751 | S | S | * | * | | | cis | -161.5 | -163.5 | -8.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 643 | D | 43.5 | Very low | 41.5 | Very low | 122 Ų | 122 | 153.6 Ų | 153.6 | 65% | 0.652 | 75% | 0.749 | S | S | * | * | | | trans | 72.4 | 141.3 | 162.1 | -81.1 | -37.3 | 0 | 0 | 0 | 118.4 | | |
| 644 | R | 45.2 | Very low | 41.3 | Very low | 182 Ų | 182 | 152.7 Ų | 152.7 | 69% | 0.687 | 75% | 0.748 | S | S | * | * | | | cis | -152.1 | 131.4 | -6.3 | -155 | 164.7 | -83.1 | 177.4 | -1.7 | 110.7 | F646 | R644-F646 HydrophobicContact CG-CD2 4.2Å; R644-F646 HydrophobicContact CG-CE2 4.13Å |
| 645 | S | 35.5 | Very low | 41.1 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | | | trans | -74.4 | 124.6 | 172.1 | 53.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 646 | F | 42.8 | Very low | 40.8 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | | | trans | -123.3 | 81.8 | 173.4 | -105.4 | -82.6 | 0 | 0 | 0 | 113.5 | R644 | R644-F646 HydrophobicContact CG-CD2 4.2Å; R644-F646 HydrophobicContact CG-CE2 4.13Å |
| 647 | R | 44.2 | Very low | 40.6 | Very low | 216 Ų | 216 | 152.2 Ų | 152.2 | 82% | 0.815 | 73% | 0.73 | S | S | * | * | | | trans | 64.3 | 125.7 | 150.6 | -62.1 | -172.1 | 171.2 | -162.6 | -6.5 | 118.6 | | |
| 648 | D | 38.5 | Very low | 40.2 | Very low | 166 Ų | 166 | 156.4 Ų | 156.4 | 89% | 0.888 | 74% | 0.74 | S | S | * | * | | | trans | -40.9 | 136.7 | 152.7 | -49 | -95.4 | 0 | 0 | 0 | 111.6 | | |
| 649 | R | 45.8 | Very low | 40 | Very low | 221 Ų | 221 | 153.1 Ų | 153.1 | 83% | 0.834 | 73% | 0.734 | S | S | * | * | | | trans | -134.1 | 124.3 | 154.6 | -157.7 | 161.4 | -166.1 | 137.5 | 4.3 | 109.3 | | |
| 650 | E | 43 | Very low | 39.6 | Very low | 142 Ų | 142 | 153.2 Ų | 153.2 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | | | trans | -60.5 | 154.1 | -174 | -175.9 | 176.2 | -163.7 | 0 | 0 | 112.3 | H652 | E650-H652 VanDerWaalsContact C-N 3.33Å; E650-H652 PolarHBondContact O-N 3.34Å; E650-H652 IonicContact OE2-CE1 3.47Å |
| 651 | P | 44.3 | Very low | 39.3 | Very low | 130 Ų | 130 | 151.3 Ų | 151.3 | 84% | 0.844 | 73% | 0.728 | S | S | * | * | | | trans | -70.8 | 86.4 | 177.4 | -12.5 | 29 | 0 | 0 | 0 | 110.7 | | |
| 652 | H | 43.8 | Very low | 39.2 | Very low | 97 Ų | 97 | 152.7 Ų | 152.7 | 45% | 0.449 | 73% | 0.734 | S | S | . | * | | | trans | -78.7 | 139.3 | 176 | -61.9 | -33.2 | 0 | 0 | 0 | 111.7 | E650 Y654 | E650-H652 VanDerWaalsContact C-N 3.33Å; E650-H652 PolarHBondContact O-N 3.34Å; E650-H652 IonicContact OE2-CE1 3.47Å; H652-Y654 PolarHBondContact O-N 3.21Å |
| 653 | D | 34.4 | Very low | 38.5 | Very low | 153 Ų | 153 | 158.6 Ų | 158.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -54.9 | 130.4 | 173.1 | -80.2 | -72.3 | 0 | 0 | 0 | 112.8 | | |
| 654 | Y | 42 | Very low | 38.3 | Very low | 213 Ų | 213 | 157.2 Ų | 157.2 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | | | trans | -126 | 63.8 | 166.3 | -82.9 | -75.3 | 0 | 0 | 0 | 111.1 | H652 | H652-Y654 PolarHBondContact O-N 3.21Š|
| 655 | S | 35.2 | Very low | 37.7 | Very low | 92 Ų | 92 | 156.5 Ų | 156.5 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | | | trans | -72 | 151.3 | 147 | -73.3 | 0 | 0 | 0 | 0 | 109.8 | | |
| 656 | H | 34.2 | Very low | 37.6 | Very low | 167 Ų | 167 | 155.8 Ų | 155.8 | 77% | 0.773 | 76% | 0.758 | S | S | * | * | | | trans | 86.9 | 148.7 | 175.3 | -55 | -75.5 | 0 | 0 | 0 | 119.9 | | |
| 657 | H | 34.4 | Very low | 37.8 | Very low | 145 Ų | 145 | 153.8 Ų | 153.8 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | | | trans | 73 | 74 | 164.1 | -58.4 | -51.1 | 0 | 0 | 0 | 120.3 | | |
| 658 | H | 37.8 | Very low | 37.7 | Very low | 187 Ų | 187 | 148.2 Ų | 148.2 | 87% | 0.866 | 75% | 0.745 | S | S | * | * | | | | -120.1 | 81 | 117.9 | -121.7 | 57.3 | 0 | 0 | 0 | 112 | | |
| 659 | H | 34.6 | Very low | 38.5 | Very low | 156 Ų | 156 | 145.6 Ų | 145.6 | 72% | 0.722 | 74% | 0.737 | S | S | * | * | | | trans | -84.4 | 117.7 | 156.6 | -91.2 | 8.1 | 0 | 0 | 0 | 107.7 | | |
| 660 | H | 35 | Very low | 38.7 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 69% | 0.69 | 73% | 0.733 | S | S | * | * | | | trans | -161.5 | 104.9 | 146.9 | -101.3 | -64.8 | 0 | 0 | 0 | 112.2 | | |
| 661 | H | 32.2 | Very low | 39.3 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | | | trans | 67 | 161.2 | 153.7 | -54 | -54.5 | 0 | 0 | 0 | 121.8 | | |
| 662 | H | 34.5 | Very low | 39.8 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | | | trans | 79.1 | 72.3 | 161.3 | -52.7 | -61.2 | 0 | 0 | 0 | 120.5 | | |
| 663 | H | 28.1 | Very low | 40.5 | Very low | 193 Ų | 193 | 150.6 Ų | 150.6 | 89% | 0.894 | 74% | 0.742 | S | S | * | * | | | | 64.4 | 160.9 | 130 | -113.1 | -127.7 | 0 | 0 | 0 | 120 | | |
| 664 | P | 38.2 | Very low | 41.5 | Very low | 93 Ų | 93 | 151 Ų | 151 | 60% | 0.604 | 74% | 0.739 | S | S | * | * | | | trans | -98.9 | 174.6 | -161.4 | 38.1 | -34.8 | 0 | 0 | 0 | 115.3 | | |
| 665 | L | 32.9 | Very low | 42.2 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | | | trans | 97.3 | 132.7 | 164.3 | -52.2 | 176 | 0 | 0 | 0 | 117.7 | | |
| 666 | A | 34.6 | Very low | 43.5 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | | | trans | 66.5 | 86.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 667 | V | 45 | Very low | 45.3 | Very low | 121 Ų | 121 | 141.3 Ų | 141.3 | 73% | 0.733 | 70% | 0.7 | S | S | * | * | | | trans | -132.6 | 128.8 | 141.7 | -172.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 668 | D | 42.7 | Very low | 47 | Very low | 99 Ų | 99 | 140.6 Ų | 140.6 | 53% | 0.529 | 70% | 0.697 | S | S | . | * | | | trans | -48.8 | 125.5 | -170.1 | -168.4 | -23.9 | 0 | 0 | 0 | 116.4 | R670 R671 | D668-R670 PolarHBondContact O-N 3.49Å; D668-R670 VanDerWaalsContact O-N 3.17Å; D668-R670 WeakPolarHBondContact OD1-CB 3.49Å; D668-R670 PolarHBondContact OD1-N 2.96Å; D668-R671 PolarHBondContact O-N 3.16Å |
| 669 | P | 56.3 | Low | 49.1 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 71% | 0.714 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -16.2 | 178.1 | 28.7 | -36.5 | 0 | 0 | 0 | 113.9 | R671 E672 | P669-R671 PolarHBondContact O-N 3.19Å; P669-R671 VanDerWaalsContact O-N 3.16Å; P669-E672 PolarHBondContact O-N 2.95Å |
| 670 | R | 50.1 | Low | 51.3 | Low | 202 Ų | 202 | 134.9 Ų | 134.9 | 76% | 0.762 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -60.8 | -23.5 | 176 | -166.2 | 177.4 | -174.8 | 107.5 | 5.5 | 112.9 | D668 | D668-R670 PolarHBondContact O-N 3.49Å; D668-R670 VanDerWaalsContact O-N 3.17Å; D668-R670 WeakPolarHBondContact OD1-CB 3.49Å; D668-R670 PolarHBondContact OD1-N 2.96Å |
| 671 | R | 55.5 | Low | 53.6 | Low | 178 Ų | 178 | 133.6 Ų | 133.6 | 67% | 0.672 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -82.9 | -19.4 | -175 | -175.9 | 172.7 | -80.7 | 153 | -4.9 | 114.6 | D668 P669 | D668-R671 PolarHBondContact O-N 3.16Å; P669-R671 PolarHBondContact O-N 3.19Å; P669-R671 VanDerWaalsContact O-N 3.16Å |
| 672 | E | 53.5 | Low | 56.1 | Low | 158 Ų | 158 | 134.8 Ų | 134.8 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82 | -32.5 | 176.4 | -67.9 | -161.3 | 129.4 | 0 | 0 | 112.7 | P669 E674 R675 G676 | P669-E672 PolarHBondContact O-N 2.95Å; E672-E674 VanDerWaalsContact C-N 3.31Å; E672-E674 PolarHBondContact O-N 3.21Å; E672-R675 WeakPolarHBondContact O-CA 3.38Å; E672-R675 WeakPolarHBondContact O-CB 3.48Å; E672-R675 PolarHBondContact O-N 3.47Å; E672-G676 PolarHBondContact O-N 3Å |
| 673 | H | 59.8 | Low | 58.7 | Low | 158 Ų | 158 | 132.9 Ų | 132.9 | 73% | 0.731 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -57.1 | -41.2 | -177.3 | -172.2 | 62.4 | 0 | 0 | 0 | 113 | R675 G676 G677 | H673-R675 VanDerWaalsContact C-N 3.29Å; H673-R675 PolarHBondContact O-N 3.45Å; H673-G676 PolarHBondContact O-N 2.95Å; H673-G677 PolarHBondContact O-N 3.11Å |
| 674 | E | 55 | Low | 61.6 | Low | 160 Ų | 160 | 132.1 Ų | 132.1 | 75% | 0.748 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.3 | -20.7 | 176.2 | -63.7 | -172.8 | 143.7 | 0 | 0 | 113.6 | E672 | E672-E674 VanDerWaalsContact C-N 3.31Å; E672-E674 PolarHBondContact O-N 3.21Å |
| 675 | R | 56.5 | Low | 64 | Low | 203 Ų | 203 | 132.5 Ų | 132.5 | 77% | 0.766 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -83.5 | -37.1 | 173.4 | -80.8 | -166.6 | 171.7 | -148.5 | -0 | 112.8 | E672 H673 L679 | E672-R675 WeakPolarHBondContact O-CA 3.38Å; E672-R675 WeakPolarHBondContact O-CB 3.48Å; E672-R675 PolarHBondContact O-N 3.47Å; H673-R675 VanDerWaalsContact C-N 3.29Å; H673-R675 PolarHBondContact O-N 3.45Å; R675-L679 PolarHBondContact O-N 2.78Å |
| 676 | G | 63.3 | Low | 66.6 | Low | 32 Ų | 32 | 129.8 Ų | 129.8 | 33% | 0.33 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -59 | -60.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | E672 H673 H678 L679 D680 | E672-G676 PolarHBondContact O-N 3Å; H673-G676 PolarHBondContact O-N 2.95Å; G676-H678 PolarHBondContact O-N 3.28Å; G676-L679 WeakPolarHBondContact O-CA 3.48Å; G676-L679 WeakPolarHBondContact O-CB 3.4Å; G676-L679 PolarHBondContact O-N 3.25Å; G676-D680 PolarHBondContact O-N 3.25Å |
| 677 | G | 71.8 | Confident | 69.1 | Low | 34 Ų | 34 | 128.4 Ų | 128.4 | 35% | 0.351 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -56.6 | -31 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H673 E681 | H673-G677 PolarHBondContact O-N 3.11Å; G677-E681 WeakPolarHBondContact O-CB 3.28Å; G677-E681 PolarHBondContact O-N 3.28Å |
| 678 | H | 70.6 | Confident | 71.1 | Confident | 131 Ų | 131 | 127.5 Ų | 127.5 | 61% | 0.606 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -71.3 | -28.1 | 174.8 | -171.5 | -50.9 | 0 | 0 | 0 | 112.8 | G676 R682 | G676-H678 PolarHBondContact O-N 3.28Å; H678-R682 WeakPolarHBondContact O-CB 3.36Å; H678-R682 PolarHBondContact O-N 2.84Å |
| 679 | L | 80 | Confident | 73 | Confident | 116 Ų | 116 | 130.9 Ų | 130.9 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.3 | -46.6 | 170.9 | -71.8 | 170.7 | 0 | 0 | 0 | 110.6 | R675 G676 E681 R682 E683 | R675-L679 PolarHBondContact O-N 2.78Å; G676-L679 WeakPolarHBondContact O-CA 3.48Å; G676-L679 WeakPolarHBondContact O-CB 3.4Å; G676-L679 PolarHBondContact O-N 3.25Å; L679-E681 PolarHBondContact O-N 3.37Å; L679-R682 WeakPolarHBondContact O-CB 3.37Å; L679-R682 PolarHBondContact O-N 2.91Å; L679-R682 VanDerWaalsContact O-N 3.11Å; L679-E683 PolarHBondContact O-N 3.35Å |
| 680 | D | 82.8 | Confident | 74.2 | Confident | 107 Ų | 107 | 128.5 Ų | 128.5 | 57% | 0.572 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -58.6 | -44.8 | 177.7 | -57.5 | -54.6 | 0 | 0 | 0 | 111.8 | G676 E683 R684 | G676-D680 PolarHBondContact O-N 3.25Å; D680-E683 PolarHBondContact O-N 3.16Å; D680-R684 VanDerWaalsContact O-CB 3.29Å; D680-R684 WeakPolarHBondContact O-CB 3.39Å; D680-R684 PolarHBondContact O-N 3.01Å |
| 681 | E | 82.5 | Confident | 75.5 | Confident | 121 Ų | 121 | 123.6 Ų | 123.6 | 57% | 0.565 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.8 | -34.2 | 176.7 | -171.7 | 174.5 | 174.9 | 0 | 0 | 111.8 | G677 L679 R684 L685 | G677-E681 WeakPolarHBondContact O-CB 3.28Å; G677-E681 PolarHBondContact O-N 3.28Å; L679-E681 PolarHBondContact O-N 3.37Å; E681-R684 PolarHBondContact O-N 3.17Å; E681-L685 HydrophobicContact CG-CD1 4.07Å; E681-L685 HydrophobicContact CG-CG 4.4Å; E681-L685 VanDerWaalsContact O-CB 3.31Å; E681-L685 WeakPolarHBondContact O-CB 3.48Å; E681-L685 VanDerWaalsContact O-CG 3.23Å; E681-L685 WeakPolarHBondContact O-CG 3.39Å; E681-L685 PolarHBondContact O-N 3.24Å |
| 682 | R | 85 | Confident | 76.5 | Confident | 175 Ų | 175 | 122.5 Ų | 122.5 | 66% | 0.66 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -66.7 | -40.8 | 175 | 177.3 | 176.3 | 175.9 | 167.5 | -1.6 | 111.9 | H678 L679 H686 | H678-R682 WeakPolarHBondContact O-CB 3.36Å; H678-R682 PolarHBondContact O-N 2.84Å; L679-R682 WeakPolarHBondContact O-CB 3.37Å; L679-R682 PolarHBondContact O-N 2.91Å; L679-R682 VanDerWaalsContact O-N 3.11Å; R682-H686 PolarHBondContact O-N 3.18Å |
| 683 | E | 87.9 | Confident | 77.3 | Confident | 135 Ų | 135 | 119 Ų | 119 | 63% | 0.631 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.2 | -45.2 | 174.7 | -173.4 | 173.1 | 167.6 | 0 | 0 | 110.8 | L679 D680 L685 H686 V687 | L679-E683 PolarHBondContact O-N 3.35Å; D680-E683 PolarHBondContact O-N 3.16Å; E683-L685 VanDerWaalsContact C-N 3.31Å; E683-L685 PolarHBondContact O-N 2.92Å; E683-H686 WeakPolarHBondContact O-CA 3.47Å; E683-H686 WeakPolarHBondContact O-CB 3.35Å; E683-H686 PolarHBondContact O-N 3.25Å; E683-V687 PolarHBondContact O-N 3.07Å |
| 684 | R | 90.6 | Very high | 77.2 | Confident | 177 Ų | 177 | 117 Ų | 117 | 67% | 0.668 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -57.4 | -40.4 | 174.5 | -172.7 | -178.4 | -178.4 | 86.3 | 2.3 | 112.9 | D680 E681 H686 L688 | D680-R684 VanDerWaalsContact O-CB 3.29Å; D680-R684 WeakPolarHBondContact O-CB 3.39Å; D680-R684 PolarHBondContact O-N 3.01Å; E681-R684 PolarHBondContact O-N 3.17Å; R684-H686 VanDerWaalsContact C-N 3.31Å; R684-L688 HydrophobicContact CG-CD1 4.25Å; R684-L688 WeakPolarHBondContact O-CB 3.11Å; R684-L688 VanDerWaalsContact O-CG 3.26Å; R684-L688 WeakPolarHBondContact O-CG 3.33Å; R684-L688 PolarHBondContact O-N 2.76Å; R684-L688 VanDerWaalsContact O-N 3.11Å |
| 685 | L | 87.2 | Confident | 77.3 | Confident | 101 Ų | 101 | 113.9 Ų | 113.9 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -75.2 | -17.4 | 175.2 | -72.7 | 171.8 | 0 | 0 | 0 | 113.7 | E681 E683 | E681-L685 HydrophobicContact CG-CD1 4.07Å; E681-L685 HydrophobicContact CG-CG 4.4Å; E681-L685 VanDerWaalsContact O-CB 3.31Å; E681-L685 WeakPolarHBondContact O-CB 3.48Å; E681-L685 VanDerWaalsContact O-CG 3.23Å; E681-L685 WeakPolarHBondContact O-CG 3.39Å; E681-L685 PolarHBondContact O-N 3.24Å; E683-L685 VanDerWaalsContact C-N 3.31Å; E683-L685 PolarHBondContact O-N 2.92Å |
| 686 | H | 87.8 | Confident | 77.3 | Confident | 109 Ų | 109 | 111.5 Ų | 111.5 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -74.1 | -59.2 | 169.8 | -152.4 | -80.6 | 0 | 0 | 0 | 108.6 | R682 E683 R684 L688 R689 E690 | R682-H686 PolarHBondContact O-N 3.18Å; E683-H686 WeakPolarHBondContact O-CA 3.47Å; E683-H686 WeakPolarHBondContact O-CB 3.35Å; E683-H686 PolarHBondContact O-N 3.25Å; R684-H686 VanDerWaalsContact C-N 3.31Å; H686-L688 VanDerWaalsContact C-N 3.31Å; H686-L688 PolarHBondContact O-N 3.42Å; H686-R689 WeakPolarHBondContact O-CA 3.31Å; H686-R689 VanDerWaalsContact O-CB 3.28Å; H686-R689 WeakPolarHBondContact O-CB 3.33Å; H686-R689 PolarHBondContact O-N 2.95Å; H686-E690 IonicContact CE1-OE1 3.22Å; H686-E690 PolarHBondContact CE1-OE1 2.69Å; H686-E690 IonicContact CE1-OE2 3.53Å; H686-E690 IonicContact CG-OE1 3.63Å; H686-E690 IonicContact CG-OE2 2.68Å; H686-E690 IonicContact ND1-OE1 3.76Å; H686-E690 PolarHBondContact ND1-OE1 3.31Å; H686-E690 VanDerWaalsContact ND1-OE1 3.14Å; H686-E690 IonicContact ND1-OE2 2.74Å; H686-E690 PolarHBondContact ND1-OE2 3.26Å; H686-E690 PolarHBondContact O-N 3.22Å; H686-E690 VanDerWaalsContact O-N 3.08Å; H686-E690 VanDerWaalsContact O-OE1 3.11Å |
| 687 | V | 86.8 | Confident | 76.8 | Confident | 70 Ų | 70 | 116.1 Ų | 116.1 | 42% | 0.424 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -53.7 | -44.5 | 179.4 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | E683 R689 E690 D691 | E683-V687 PolarHBondContact O-N 3.07Å; V687-R689 PolarHBondContact O-N 3.34Å; V687-E690 PolarHBondContact N-OE2 2.97Å; V687-E690 PolarHBondContact O-N 2.81Å; V687-E690 VanDerWaalsContact O-N 3.16Å; V687-D691 WeakPolarHBondContact O-CB 3.43Å; V687-D691 PolarHBondContact O-N 3.38Å |
| 688 | L | 88.6 | Confident | 75.4 | Confident | 101 Ų | 101 | 122.2 Ų | 122.2 | 53% | 0.529 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.1 | -19.4 | 176.3 | -73.9 | 170.8 | 0 | 0 | 0 | 114.5 | R684 H686 | R684-L688 HydrophobicContact CG-CD1 4.25Å; R684-L688 WeakPolarHBondContact O-CB 3.11Å; R684-L688 VanDerWaalsContact O-CG 3.26Å; R684-L688 WeakPolarHBondContact O-CG 3.33Å; R684-L688 PolarHBondContact O-N 2.76Å; R684-L688 VanDerWaalsContact O-N 3.11Å; H686-L688 VanDerWaalsContact C-N 3.31Å; H686-L688 PolarHBondContact O-N 3.42Å |
| 689 | R | 82.6 | Confident | 74.1 | Confident | 170 Ų | 170 | 121.2 Ų | 121.2 | 64% | 0.642 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -83 | -43.8 | 171.1 | 169.5 | 172 | -67.8 | 139.3 | 9.4 | 111.2 | H686 V687 Y692 E693 | H686-R689 WeakPolarHBondContact O-CA 3.31Å; H686-R689 VanDerWaalsContact O-CB 3.28Å; H686-R689 WeakPolarHBondContact O-CB 3.33Å; H686-R689 PolarHBondContact O-N 2.95Å; V687-R689 PolarHBondContact O-N 3.34Å; R689-Y692 PolarHBondContact O-N 3.04Å; R689-E693 PolarHBondContact O-N 3.23Å; R689-E693 VanDerWaalsContact O-N 3.11Å |
| 690 | E | 80.6 | Confident | 72.5 | Confident | 60 Ų | 60 | 122 Ų | 122 | 28% | 0.28 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -58.9 | -49 | 174.2 | -77.9 | 84.1 | -108 | 0 | 0 | 111 | H686 V687 Y692 E693 H694 | H686-E690 IonicContact CE1-OE1 3.22Å; H686-E690 PolarHBondContact CE1-OE1 2.69Å; H686-E690 IonicContact CE1-OE2 3.53Å; H686-E690 IonicContact CG-OE1 3.63Å; H686-E690 IonicContact CG-OE2 2.68Å; H686-E690 IonicContact ND1-OE1 3.76Å; H686-E690 PolarHBondContact ND1-OE1 3.31Å; H686-E690 VanDerWaalsContact ND1-OE1 3.14Å; H686-E690 IonicContact ND1-OE2 2.74Å; H686-E690 PolarHBondContact ND1-OE2 3.26Å; H686-E690 PolarHBondContact O-N 3.22Å; H686-E690 VanDerWaalsContact O-N 3.08Å; H686-E690 VanDerWaalsContact O-OE1 3.11Å; V687-E690 PolarHBondContact N-OE2 2.97Å; V687-E690 PolarHBondContact O-N 2.81Å; V687-E690 VanDerWaalsContact O-N 3.16Å; E690-Y692 PolarHBondContact O-N 2.87Å; E690-Y692 VanDerWaalsContact O-N 3.12Å; E690-E693 PolarHBondContact O-N 3.32Å; E690-H694 VanDerWaalsContact C-CD2 3.44Å; E690-H694 WeakPolarHBondContact O-CB 3.38Å; E690-H694 PolarHBondContact O-CD2 2.7Å; E690-H694 PolarHBondContact O-N 3.29Å |
| 691 | D | 78.4 | Confident | 70.3 | Confident | 99 Ų | 99 | 125.7 Ų | 125.7 | 53% | 0.529 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57.7 | -26.1 | 176.6 | -78.5 | -26.5 | 0 | 0 | 0 | 113.5 | V687 P695 | V687-D691 WeakPolarHBondContact O-CB 3.43Å; V687-D691 PolarHBondContact O-N 3.38Å; D691-P695 WeakPolarHBondContact O-CD 3.14Å; D691-P695 WeakPolarHBondContact O-CG 3.39Å |
| 692 | Y | 74.9 | Confident | 68.5 | Low | 156 Ų | 156 | 125.6 Ų | 125.6 | 61% | 0.612 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -85.6 | -29 | 177.5 | -170.5 | -94.2 | 0 | 0 | 0 | 113.2 | R689 E690 R696 | R689-Y692 PolarHBondContact O-N 3.04Å; E690-Y692 PolarHBondContact O-N 2.87Å; E690-Y692 VanDerWaalsContact O-N 3.12Å; Y692-R696 WeakPolarHBondContact O-CD 2.76Å; Y692-R696 VanDerWaalsContact O-CG 3.31Å; Y692-R696 WeakPolarHBondContact O-CG 3.16Å |
| 693 | E | 70 | Confident | 66.1 | Low | 85 Ų | 85 | 121.4 Ų | 121.4 | 40% | 0.397 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -91 | -33.7 | 179.9 | -68.9 | -68.6 | 111.6 | 0 | 0 | 112.6 | R689 E690 R696 | R689-E693 PolarHBondContact O-N 3.23Å; R689-E693 VanDerWaalsContact O-N 3.11Å; E690-E693 PolarHBondContact O-N 3.32Å; E693-R696 WeakPolarHBondContact O-CB 3.06Å; E693-R696 PolarHBondContact O-N 3.12Å; E693-R696 IonicContact OE1-CZ 2.82Å; E693-R696 IonicContact OE1-NH1 3.93Å; E693-R696 PolarHBondContact OE1-NH1 2.76Å |
| 694 | H | 59.1 | Low | 63.7 | Low | 114 Ų | 114 | 120.5 Ų | 120.5 | 53% | 0.528 | 62% | 0.616 | S | S | . | * | G | 310 helix | trans | -49.9 | -48.8 | 175.2 | -77.9 | -49.2 | 0 | 0 | 0 | 115.1 | E690 R696 L697 | E690-H694 VanDerWaalsContact C-CD2 3.44Å; E690-H694 WeakPolarHBondContact O-CB 3.38Å; E690-H694 PolarHBondContact O-CD2 2.7Å; E690-H694 PolarHBondContact O-N 3.29Å; H694-R696 PolarHBondContact O-N 3.01Å; H694-R696 VanDerWaalsContact O-N 3.15Å; H694-L697 PolarHBondContact O-N 3.19Å |
| 695 | P | 56.9 | Low | 61.7 | Low | 95 Ų | 95 | 120.3 Ų | 120.3 | 62% | 0.617 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -71.3 | -5 | 178.7 | 28.8 | -36.1 | 0 | 0 | 0 | 113.9 | D691 | D691-P695 WeakPolarHBondContact O-CD 3.14Å; D691-P695 WeakPolarHBondContact O-CG 3.39Å |
| 696 | R | 56.9 | Low | 59.3 | Low | 154 Ų | 154 | 122.8 Ų | 122.8 | 58% | 0.581 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -97.3 | -11.9 | -177.5 | -53.1 | -178.1 | 73.4 | -157.4 | 1 | 113.2 | Y692 E693 H694 | Y692-R696 WeakPolarHBondContact O-CD 2.76Å; Y692-R696 VanDerWaalsContact O-CG 3.31Å; Y692-R696 WeakPolarHBondContact O-CG 3.16Å; E693-R696 WeakPolarHBondContact O-CB 3.06Å; E693-R696 PolarHBondContact O-N 3.12Å; E693-R696 IonicContact OE1-CZ 2.82Å; E693-R696 IonicContact OE1-NH1 3.93Å; E693-R696 PolarHBondContact OE1-NH1 2.76Å; H694-R696 PolarHBondContact O-N 3.01Å; H694-R696 VanDerWaalsContact O-N 3.15Å |
| 697 | L | 52.6 | Low | 57.3 | Low | 129 Ų | 129 | 120.9 Ų | 120.9 | 68% | 0.675 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -96.5 | 2.1 | -178.9 | -63.6 | 177.7 | 0 | 0 | 0 | 114.2 | H694 | H694-L697 PolarHBondContact O-N 3.19Š|
| 698 | H | 42.5 | Very low | 55.1 | Low | 162 Ų | 162 | 126 Ų | 126 | 75% | 0.75 | 67% | 0.67 | S | S | * | * | | | trans | -126.4 | 88.3 | -178.6 | -69.6 | -65.4 | 0 | 0 | 0 | 113.8 | | |
| 699 | P | 42.3 | Very low | 53.4 | Low | 109 Ų | 109 | 129 Ų | 129 | 71% | 0.708 | 69% | 0.686 | S | S | * | * | | | trans | -125.8 | 174.2 | 133.2 | 37.1 | -29.9 | 0 | 0 | 0 | 112.1 | | |
| 700 | V | 45.8 | Very low | 51.8 | Low | 134 Ų | 134 | 125.3 Ų | 125.3 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | | | trans | 85.1 | 103.5 | 174.1 | -172.4 | 0 | 0 | 0 | 0 | 116.2 | | |
| 701 | H | 37.2 | Very low | 50 | Low | 183 Ų | 183 | 131 Ų | 131 | 85% | 0.847 | 71% | 0.71 | S | S | * | * | | | trans | -66.1 | 150 | 152.6 | -76.3 | -100.5 | 0 | 0 | 0 | 110 | | |
| 702 | P | 44.4 | Very low | 48.5 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | | | | -135.3 | 156.2 | 106.1 | 37.4 | -29 | 0 | 0 | 0 | 113.7 | | |
| 703 | A | 36.1 | Very low | 46.6 | Very low | 87 Ų | 87 | 129.2 Ų | 129.2 | 72% | 0.719 | 73% | 0.726 | S | S | * | * | | | trans | -99.9 | 178.6 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 704 | S | 37.6 | Very low | 45.6 | Very low | 115 Ų | 115 | 132.7 Ų | 132.7 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | | | trans | 82.1 | 100.8 | 169.8 | -54.5 | 0 | 0 | 0 | 0 | 117.5 | | |
| 705 | L | 46.6 | Very low | 45.1 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 91% | 0.911 | 76% | 0.76 | S | S | * | * | | | trans | 153 | 132.5 | 158.9 | -88 | 160.2 | 0 | 0 | 0 | 105.6 | | |
| 706 | D | 38.8 | Very low | 44.6 | Very low | 152 Ų | 152 | 136.3 Ų | 136.3 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | | | cis | -148.4 | 162 | -5.2 | 177.2 | 30 | 0 | 0 | 0 | 107.8 | | |
| 707 | G | 44.5 | Very low | 44.2 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | 159.5 | 79 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L709 | G707-L709 PolarHBondContact O-N 3.09Š|
| 708 | H | 40.6 | Very low | 43.8 | Very low | 177 Ų | 177 | 132.3 Ų | 132.3 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | | | trans | -92.6 | 86.6 | -168.2 | -165.8 | -67.5 | 0 | 0 | 0 | 114.3 | | |
| 709 | L | 54.2 | Low | 44.2 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -134.8 | 137.7 | 167.6 | -76.1 | 179.2 | 0 | 0 | 0 | 113.1 | G707 | G707-L709 PolarHBondContact O-N 3.09Š|
| 710 | P | 47.8 | Very low | 44.7 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 59% | 0.591 | 79% | 0.794 | S | S | * | * | | | trans | -92.4 | -173.2 | 175.7 | 37.4 | -34.3 | 0 | 0 | 0 | 113 | | |
| 711 | H | 43.7 | Very low | 44.6 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | | | trans | 109.5 | 147.7 | 169.8 | -59.2 | -60.7 | 0 | 0 | 0 | 115.9 | | |
| 712 | P | 46.8 | Very low | 45.4 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | | | trans | -110.5 | 170 | -133.1 | 40.8 | -37.3 | 0 | 0 | 0 | 116.2 | | |
| 713 | S | 34.1 | Very low | 45.4 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | 6.4 | 133.5 | 149.7 | -48.9 | 0 | 0 | 0 | 0 | 119.3 | | |
| 714 | L | 48.5 | Very low | 45.5 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | | -174 | 140.9 | 119.3 | -98.9 | 161.3 | 0 | 0 | 0 | 113.4 | | |
| 715 | L | 49.3 | Very low | 46.6 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | | | trans | 70.3 | 93.7 | 153.8 | -57.1 | 172 | 0 | 0 | 0 | 122.1 | | |
| 716 | T | 45.5 | Very low | 46.5 | Very low | 129 Ų | 129 | 138.1 Ų | 138.1 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -68.7 | -177.7 | 133.1 | 44.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 717 | P | 49.9 | Very low | 47.4 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | | | cis | -132 | -173.7 | -3.7 | 40.5 | -22.8 | 0 | 0 | 0 | 115.2 | | |
| 718 | G | 43.5 | Very low | 47.1 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | | | trans | -170 | 131.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 719 | L | 50.6 | Low | 47.6 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 91% | 0.911 | 77% | 0.768 | S | S | * | * | | | trans | -128.9 | -171.4 | 177.8 | -58.1 | 171.6 | 0 | 0 | 0 | 108.1 | | |
| 720 | P | 52.4 | Low | 46.7 | Very low | 118 Ų | 118 | 135.9 Ų | 135.9 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | | | cis | -137.3 | 169.2 | -6.7 | 40.7 | -22.3 | 0 | 0 | 0 | 117.6 | | |
| 721 | S | 43.7 | Very low | 46.4 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 54% | 0.538 | 78% | 0.781 | S | S | . | * | | | trans | 4.1 | 146.5 | 145.5 | -153.7 | 0 | 0 | 0 | 0 | 123.7 | H723 | S721-H723 PolarHBondContact OG-CD2 3.44Å; S721-H723 PolarHBondContact OG-NE2 2.59Å |
| 722 | M | 54.2 | Low | 46.2 | Very low | 189 Ų | 189 | 130.7 Ų | 130.7 | 93% | 0.931 | 77% | 0.769 | S | S | * | * | | | trans | -136.3 | 151.7 | 143.8 | -83.9 | -62.9 | -78 | 0 | 0 | 110.3 | | |
| 723 | H | 45.2 | Very low | 45.8 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 63% | 0.634 | 77% | 0.772 | S | S | * | * | | | trans | -119.3 | 141.1 | -159.2 | -82 | -117.9 | 0 | 0 | 0 | 116.1 | S721 | S721-H723 PolarHBondContact OG-CD2 3.44Å; S721-H723 PolarHBondContact OG-NE2 2.59Å |
| 724 | Y | 38.3 | Very low | 46.2 | Very low | 180 Ų | 180 | 135.3 Ų | 135.3 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | | | trans | 44.5 | 155.5 | 135.7 | -72.7 | -92 | 0 | 0 | 0 | 122.1 | R726 | Y724-R726 HydrophobicContact CD1-CB 3.94Å; Y724-R726 HydrophobicContact CE1-CB 4.34Å |
| 725 | P | 59.5 | Low | 45.7 | Very low | 135 Ų | 135 | 135.3 Ų | 135.3 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | | | | -127.2 | 146.1 | 94.7 | 36.6 | -31.6 | 0 | 0 | 0 | 113.7 | | |
| 726 | R | 45.3 | Very low | 45.3 | Very low | 196 Ų | 196 | 130.9 Ų | 130.9 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | | | trans | -124.8 | 125.5 | 171.6 | -178.1 | -173 | -172.5 | -177.7 | 4.7 | 109.1 | Y724 | Y724-R726 HydrophobicContact CD1-CB 3.94Å; Y724-R726 HydrophobicContact CE1-CB 4.34Å |
| 727 | I | 57.5 | Low | 45.1 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 87% | 0.872 | 76% | 0.76 | S | S | * | * | | | trans | -102.1 | 138.2 | 163.9 | 53.9 | 175.5 | 0 | 0 | 0 | 109.3 | | |
| 728 | S | 37.9 | Very low | 45.2 | Very low | 77 Ų | 77 | 132.3 Ų | 132.3 | 54% | 0.538 | 76% | 0.755 | S | S | . | * | | | trans | -112.2 | 170.1 | -177 | -54 | 0 | 0 | 0 | 0 | 110.3 | | |
| 729 | P | 51.2 | Low | 45.2 | Very low | 132 Ų | 132 | 134.9 Ų | 134.9 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | | -128.2 | 150.6 | 116.2 | 35.6 | -31 | 0 | 0 | 0 | 113 | | |
| 730 | T | 36.5 | Very low | 45 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 85% | 0.847 | 75% | 0.749 | S | S | * | * | | | trans | -143.3 | 102.2 | 173.1 | -63.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 731 | A | 41.7 | Very low | 44.4 | Very low | 106 Ų | 106 | 136.7 Ų | 136.7 | 88% | 0.876 | 75% | 0.752 | S | S | * | * | | | trans | 179.3 | 146.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | | |
| 732 | G | 37.8 | Very low | 44.5 | Very low | 55 Ų | 55 | 138.6 Ų | 138.6 | 57% | 0.567 | 76% | 0.763 | S | S | * | * | | | cis | 167 | 165.9 | -1.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 733 | H | 38.8 | Very low | 44.6 | Very low | 172 Ų | 172 | 135 Ų | 135 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | | | trans | 66.9 | 160.1 | 176.9 | -51.1 | -90.8 | 0 | 0 | 0 | 116.4 | | |
| 734 | Q | 42.8 | Very low | 44.5 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 67% | 0.673 | 77% | 0.765 | S | S | * | * | | | cis | -165.8 | 143.8 | -40.1 | 58.7 | -154.5 | -6.6 | 0 | 0 | 109.5 | | |
| 735 | N | 38 | Very low | 44.6 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | 66.1 | 143.7 | 176.5 | -48.9 | -50.8 | 0 | 0 | 0 | 116.6 | | |
| 736 | G | 40.2 | Very low | 43.7 | Very low | 64 Ų | 64 | 129.7 Ų | 129.7 | 66% | 0.66 | 77% | 0.768 | S | S | * | * | | | cis | 174.9 | 155.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 737 | L | 43 | Very low | 43.5 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | | | trans | 71.1 | 112.3 | 148.5 | -80 | 72.6 | 0 | 0 | 0 | 120.9 | | |
| 738 | L | 51.9 | Low | 42.4 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | 75.3 | 138.3 | 142 | -50.8 | 172 | 0 | 0 | 0 | 117.1 | | |
| 739 | N | 41.9 | Very low | 42.7 | Very low | 127 Ų | 127 | 127 Ų | 127 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | | | cis | -160.2 | 151.9 | 2 | -131.2 | -19.8 | 0 | 0 | 0 | 114.6 | | |
| 740 | K | 46.3 | Very low | 43.1 | Very low | 195 Ų | 195 | 126.3 Ų | 126.3 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | 76 | 144.7 | 161.7 | -61.3 | -177 | 176.8 | -175.3 | 0 | 120.4 | | |
| 741 | T | 40.4 | Very low | 44.6 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | | | trans | -108.9 | 163.3 | -168.4 | 26.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 742 | P | 46.1 | Very low | 45.6 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | | | trans | -92 | 173 | 176 | 38.9 | -36.5 | 0 | 0 | 0 | 113 | | |
| 743 | P | 56.5 | Low | 46.2 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 74% | 0.74 | 79% | 0.788 | S | S | * | * | | | trans | -135.3 | 142.5 | 145.7 | 36.6 | -23.8 | 0 | 0 | 0 | 115.2 | | |
| 744 | T | 43.7 | Very low | 46.5 | Very low | 142 Ų | 142 | 131 Ų | 131 | 87% | 0.871 | 79% | 0.789 | S | S | * | * | | | trans | 62.2 | 128.5 | 140.4 | -51.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 745 | A | 39 | Very low | 46.3 | Very low | 97 Ų | 97 | 129.3 Ų | 129.3 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | | | trans | -75.3 | 151.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 746 | A | 42.3 | Very low | 46.6 | Very low | 102 Ų | 102 | 128 Ų | 128 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -151.1 | 156.2 | 145.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 747 | L | 39.4 | Very low | 46.6 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 90% | 0.901 | 80% | 0.803 | S | S | * | * | | | trans | -75.6 | 160.4 | -169.4 | -63.9 | 158.4 | 0 | 0 | 0 | 113.9 | | |
| 748 | S | 34.2 | Very low | 46.5 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | 70.6 | 74.9 | 153.2 | -172.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 749 | A | 45.3 | Very low | 46 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | trans | -152.7 | 139.9 | 147.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 750 | P | 58.4 | Low | 46 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 154.5 | 167.8 | 32.5 | -34 | 0 | 0 | 0 | 111.3 | | |
| 751 | P | 69.4 | Low | 45.9 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 146 | -179.6 | 28 | -34.9 | 0 | 0 | 0 | 112.4 | | |
| 752 | P | 61.7 | Low | 46.1 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 145.8 | -175.2 | 29.7 | -35.5 | 0 | 0 | 0 | 113.2 | I754 | P752-I754 PolarHBondContact O-N 2.57Š|
| 753 | L | 49.9 | Very low | 45.5 | Very low | 169 Ų | 169 | 126.5 Ų | 126.5 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 122.4 | 175.8 | -67.3 | 174.1 | 0 | 0 | 0 | 111.5 | S755 | L753-S755 PolarHBondContact O-N 3.14Š|
| 754 | I | 46.9 | Very low | 44.8 | Very low | 159 Ų | 159 | 126.5 Ų | 126.5 | 82% | 0.815 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 119.9 | 176 | -45.2 | 175.1 | 0 | 0 | 0 | 109.2 | P752 | P752-I754 PolarHBondContact O-N 2.57Š|
| 755 | S | 37.2 | Very low | 44.8 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | | | trans | -102.9 | 113.1 | 174.2 | -68.4 | 0 | 0 | 0 | 0 | 111.4 | L753 | L753-S755 PolarHBondContact O-N 3.14Š|
| 756 | T | 46 | Very low | 45.1 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 78% | 0.779 | 82% | 0.82 | S | S | * | * | | | trans | -128.1 | 110.8 | 167 | 50.5 | 0 | 0 | 0 | 0 | 106.3 | | |
| 757 | L | 40.2 | Very low | 45.2 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | | | cis | 71.8 | 107.2 | 33.6 | -154.9 | 77.5 | 0 | 0 | 0 | 113.2 | | |
| 758 | G | 40.6 | Very low | 45.3 | Very low | 82 Ų | 82 | 134.4 Ų | 134.4 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | trans | 112.1 | 122.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 759 | G | 41 | Very low | 45.9 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | | | cis | -148.7 | 177.7 | -3.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 760 | R | 42.3 | Very low | 46 | Very low | 240 Ų | 240 | 137.4 Ų | 137.4 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | trans | -101.8 | -144.5 | -172.8 | -58.3 | 175.5 | 86.8 | -130.1 | 12 | 112.2 | | |
| 761 | P | 42.9 | Very low | 45 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | | | | -119.4 | 172.4 | -122.9 | 36.4 | -17.4 | 0 | 0 | 0 | 115.4 | | |
| 762 | G | 45.3 | Very low | 43.9 | Very low | 80 Ų | 80 | 135.9 Ų | 135.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -141.3 | 133.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 763 | S | 33.2 | Very low | 43 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | trans | -141.1 | -163.9 | -176.1 | -152.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 764 | P | 42.2 | Very low | 43 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | | -117.8 | 163.6 | -112.1 | 38.2 | -22.7 | 0 | 0 | 0 | 114.9 | | |
| 765 | R | 44 | Very low | 43.2 | Very low | 229 Ų | 229 | 137.9 Ų | 137.9 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | | | trans | -162.1 | 132.3 | 164.5 | -112.3 | 167.1 | -171.9 | -152.5 | 1 | 114.3 | | |
| 766 | R | 45.4 | Very low | 43.6 | Very low | 214 Ų | 214 | 138.4 Ų | 138.4 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | | 44.6 | 144.7 | 127.7 | -69.2 | -170.5 | 160.7 | -134.7 | -0.9 | 120.3 | | |
| 767 | T | 44.6 | Very low | 43.4 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 63% | 0.632 | 78% | 0.783 | S | S | * | * | | | cis | -167 | 138.8 | 6.6 | 6.8 | 0 | 0 | 0 | 0 | 113 | | |
| 768 | T | 40.3 | Very low | 43.9 | Very low | 133 Ų | 133 | 140 Ų | 140 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | | | trans | 45.7 | 152.3 | 145 | 44.6 | 0 | 0 | 0 | 0 | 124.7 | | |
| 769 | P | 47.7 | Very low | 44.3 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | | | trans | -117.7 | 175.8 | -171.4 | 44.4 | -33.6 | 0 | 0 | 0 | 115.9 | | |
| 770 | L | 46.4 | Very low | 44.4 | Very low | 163 Ų | 163 | 143.9 Ų | 143.9 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -149.5 | 148.9 | 162.9 | -76 | -178.9 | 0 | 0 | 0 | 113.3 | | |
| 771 | S | 38.7 | Very low | 44.6 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | | | trans | 41.4 | 146.5 | 140.5 | -64.7 | 0 | 0 | 0 | 0 | 123.1 | | |
| 772 | A | 44.7 | Very low | 44.8 | Very low | 89 Ų | 89 | 139.3 Ų | 139.3 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | cis | -162.2 | -166 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 773 | E | 43 | Very low | 45.1 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | | | trans | -55.7 | 176.8 | 176.1 | -48.4 | 167.1 | 99.4 | 0 | 0 | 113.6 | | |
| 774 | I | 50.2 | Low | 46.1 | Very low | 131 Ų | 131 | 143.7 Ų | 143.7 | 67% | 0.672 | 75% | 0.748 | S | S | * | * | | | cis | -171 | 169.7 | 33.2 | -164.9 | 140.3 | 0 | 0 | 0 | 113.1 | | |
| 775 | R | 51.1 | Low | 46.6 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | | | trans | 81.7 | 115 | 145.3 | -141.5 | 91.3 | -163 | 176.6 | 10.9 | 122.4 | | |
| 776 | E | 45 | Very low | 47.3 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 56% | 0.561 | 75% | 0.75 | S | S | * | * | | | trans | 43.5 | 123.3 | 137 | -61.6 | -171.1 | 103.6 | 0 | 0 | 126.1 | | |
| 777 | R | 42.3 | Very low | 48 | Very low | 216 Ų | 216 | 140.6 Ų | 140.6 | 82% | 0.815 | 75% | 0.751 | S | S | * | * | | | trans | 57.1 | 131.1 | 130.7 | -87.1 | -177.2 | 164.8 | 85.6 | 4.4 | 122.6 | | |
| 778 | P | 51.3 | Low | 48.9 | Very low | 122 Ų | 122 | 140.1 Ų | 140.1 | 79% | 0.792 | 76% | 0.758 | S | S | * | * | | | trans | -96.4 | 160.9 | 166 | 39 | -33.8 | 0 | 0 | 0 | 113.5 | | |
| 779 | P | 47.9 | Very low | 49.2 | Very low | 123 Ų | 123 | 149.3 Ų | 149.3 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | | | trans | -111.5 | 159.6 | 154.5 | 36.7 | -28.1 | 0 | 0 | 0 | 112.9 | | |
| 780 | S | 44.3 | Very low | 49.3 | Very low | 115 Ų | 115 | 151 Ų | 151 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -75.7 | 162.7 | 175 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | | |
| 781 | H | 46.2 | Very low | 49.5 | Very low | 149 Ų | 149 | 150.3 Ų | 150.3 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | | | | 147.5 | 120.2 | 120.8 | 178.7 | -96.5 | 0 | 0 | 0 | 113.2 | L783 | H781-L783 WeakPolarHBondContact CE1-CD1 3.49Š|
| 782 | T | 47.1 | Very low | 50.1 | Low | 116 Ų | 116 | 152.4 Ų | 152.4 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | | | trans | -176.9 | 122 | 130.1 | 32.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 783 | L | 51.4 | Low | 50.4 | Low | 112 Ų | 112 | 156.1 Ų | 156.1 | 59% | 0.586 | 78% | 0.776 | S | S | * | * | | | trans | 46.1 | 139.6 | 130.2 | -76 | 49.9 | 0 | 0 | 0 | 119.8 | H781 | H781-L783 WeakPolarHBondContact CE1-CD1 3.49Š|
| 784 | K | 54.6 | Low | 50.8 | Low | 179 Ų | 179 | 155.2 Ų | 155.2 | 78% | 0.778 | 78% | 0.775 | S | S | * | * | | | cis | -158.2 | 144.9 | 13.7 | -131.5 | 153.2 | -168.6 | 175.4 | 0 | 111.9 | | |
| 785 | D | 52.5 | Low | 50.9 | Low | 153 Ų | 153 | 156.8 Ų | 156.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | trans | -70.9 | 177.8 | 166.4 | -71.4 | -81.6 | 0 | 0 | 0 | 113.4 | | |
| 786 | I | 58 | Low | 50.9 | Low | 157 Ų | 157 | 154.4 Ų | 154.4 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | | | trans | 125.2 | 129.9 | 158.7 | -69.5 | 158.5 | 0 | 0 | 0 | 111.5 | | |
| 787 | E | 60.8 | Low | 51.3 | Low | 181 Ų | 181 | 157 Ų | 157 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | cis | -158.7 | 165.9 | -28.7 | -163.6 | 171.9 | 152.6 | 0 | 0 | 106.7 | | |
| 788 | A | 63 | Low | 52.1 | Low | 93 Ų | 93 | 152.1 Ų | 152.1 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | -79.1 | 146.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 789 | R | 47.7 | Very low | 52.1 | Low | 325 Ų | 325 | 154.8 Ų | 154.8 | 100% | 1.226 | 80% | 0.803 | S | S | * | * | | | trans | -146.2 | 0 | 148.1 | -91.7 | -164.3 | 174.3 | -167 | -2.2 | 109.5 | | |