| 1 | M | 40.5 | Very low | 51.7 | Low | 226 Ų | 226 | 135.6 Ų | 135.6 | 100% | 1.113 | 82% | 0.817 | S | S | * | * | | | | 0 | 139.8 | 0 | -71 | 157.1 | 71.3 | 0 | 0 | 107.7 | | |
| 2 | F | 47.3 | Very low | 51.8 | Low | 199 Ų | 199 | 133.3 Ų | 133.3 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | | | trans | 30.1 | 112 | 171.5 | -57.6 | -73.5 | 0 | 0 | 0 | 119.7 | | |
| 3 | A | 52.8 | Low | 51.6 | Low | 90 Ų | 90 | 131.9 Ų | 131.9 | 74% | 0.744 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 157.3 | 164 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 4 | P | 53.6 | Low | 50.6 | Low | 119 Ų | 119 | 134.9 Ų | 134.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 149.2 | 177.7 | 28.4 | -35.9 | 0 | 0 | 0 | 112.2 | | |
| 5 | P | 53.9 | Low | 50.3 | Low | 126 Ų | 126 | 134.5 Ų | 134.5 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 137.6 | -173.9 | 29.8 | -35.1 | 0 | 0 | 0 | 112.9 | A7 | P5-A7 PolarHBondContact O-N 3.37Š|
| 6 | T | 50 | Low | 49.5 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 121.5 | 171.7 | -49.1 | 0 | 0 | 0 | 0 | 110.7 | | |
| 7 | A | 54.7 | Low | 48.6 | Very low | 94 Ų | 94 | 130.5 Ų | 130.5 | 78% | 0.777 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 131.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | P5 | P5-A7 PolarHBondContact O-N 3.37Š|
| 8 | L | 56.6 | Low | 48 | Very low | 160 Ų | 160 | 129.7 Ų | 129.7 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 147.6 | 176.5 | -68 | 170.5 | 0 | 0 | 0 | 111.1 | | |
| 9 | P | 58.5 | Low | 47.4 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 152.5 | 170.7 | 30.4 | -35.1 | 0 | 0 | 0 | 111.2 | | |
| 10 | P | 53.3 | Low | 46.8 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 147.7 | 176.2 | 28.7 | -35 | 0 | 0 | 0 | 111.5 | | |
| 11 | P | 47.3 | Very low | 46.1 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 149.6 | 179.9 | 29.6 | -35.2 | 0 | 0 | 0 | 112.1 | | |
| 12 | P | 53.2 | Low | 45.9 | Very low | 108 Ų | 108 | 128.9 Ų | 128.9 | 70% | 0.701 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 152.9 | 174.4 | 30.4 | -35.3 | 0 | 0 | 0 | 111.7 | | |
| 13 | P | 48.6 | Very low | 45.5 | Very low | 115 Ų | 115 | 122.3 Ų | 122.3 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66 | 136.9 | 176.3 | 28.2 | -34.6 | 0 | 0 | 0 | 111.3 | T15 | P13-T15 PolarHBondContact O-N 3.27Š|
| 14 | L | 37.8 | Very low | 44.4 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -71.6 | 107.7 | -179.7 | -62.4 | 175.9 | 0 | 0 | 0 | 110.9 | | |
| 15 | T | 46.9 | Very low | 44 | Very low | 130 Ų | 130 | 127.4 Ų | 127.4 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | | | trans | -88.6 | 114.8 | 168.3 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | P13 G17 | P13-T15 PolarHBondContact O-N 3.27Å; T15-G17 PolarHBondContact O-N 3.04Å |
| 16 | S | 37.3 | Very low | 43 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | -74.7 | 62.7 | 175.3 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | S18 | S16-S18 PolarHBondContact O-N 3.13Š|
| 17 | G | 34.6 | Very low | 42.4 | Very low | 70 Ų | 70 | 122.3 Ų | 122.3 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -79 | 103.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | T15 | T15-G17 PolarHBondContact O-N 3.04Š|
| 18 | S | 37.3 | Very low | 41.7 | Very low | 116 Ų | 116 | 122.3 Ų | 122.3 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | | | trans | -66.7 | 141.6 | 166.8 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | S16 | S16-S18 PolarHBondContact O-N 3.13Š|
| 19 | L | 36.2 | Very low | 41.1 | Very low | 161 Ų | 161 | 121.4 Ų | 121.4 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -27.5 | 127.5 | -178.2 | -70.2 | 158.8 | 0 | 0 | 0 | 116.1 | | |
| 20 | Q | 35.3 | Very low | 40.8 | Very low | 196 Ų | 196 | 122.6 Ų | 122.6 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | | | trans | -70.3 | 131.8 | 166.9 | -68.4 | -177.2 | -17.7 | 0 | 0 | 111 | | |
| 21 | V | 32.6 | Very low | 41.1 | Very low | 138 Ų | 138 | 119.3 Ų | 119.3 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | | | trans | -113.2 | 132.2 | 159.8 | 177.1 | 0 | 0 | 0 | 0 | 107.4 | | |
| 22 | A | 35.5 | Very low | 41.9 | Very low | 104 Ų | 104 | 121.5 Ų | 121.5 | 86% | 0.86 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -77 | 135.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 23 | G | 39.6 | Very low | 42.3 | Very low | 61 Ų | 61 | 123.6 Ų | 123.6 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | 162.8 | -15 | 167.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 24 | H | 30.5 | Very low | 43.7 | Very low | 176 Ų | 176 | 120.7 Ų | 120.7 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | | | trans | -134.3 | 131.4 | -170.7 | -59.5 | -66.8 | 0 | 0 | 0 | 114.5 | A26 | H24-A26 PolarHBondContact O-N 3.36Š|
| 25 | P | 44 | Very low | 45.7 | Very low | 139 Ų | 139 | 116.8 Ų | 116.8 | 90% | 0.903 | 72% | 0.717 | S | S | * | * | | | trans | -81.8 | 68.5 | 168.6 | 35 | -33.8 | 0 | 0 | 0 | 110.4 | | |
| 26 | A | 33.7 | Very low | 47.6 | Very low | 87 Ų | 87 | 115.1 Ų | 115.1 | 72% | 0.719 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 143.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | H24 | H24-A26 PolarHBondContact O-N 3.36Š|
| 27 | G | 37.2 | Very low | 49.8 | Very low | 68 Ų | 68 | 117.1 Ų | 117.1 | 70% | 0.701 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 150.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T29 | G27-T29 PolarHBondContact O-N 3.04Š|
| 28 | S | 38.9 | Very low | 52.2 | Low | 94 Ų | 94 | 119 Ų | 119 | 66% | 0.657 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 119.8 | 170.5 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | Y30 | S28-Y30 PolarHBondContact O-N 3.39Š|
| 29 | T | 44.7 | Very low | 54.6 | Low | 140 Ų | 140 | 117.2 Ų | 117.2 | 86% | 0.859 | 66% | 0.66 | S | S | * | * | | | trans | -73.7 | 73.7 | 174.3 | 54 | 0 | 0 | 0 | 0 | 110 | G27 S31 | G27-T29 PolarHBondContact O-N 3.04Å; T29-S31 PolarHBondContact O-N 3.14Å |
| 30 | Y | 52.7 | Low | 57.1 | Low | 136 Ų | 136 | 115 Ų | 115 | 53% | 0.533 | 65% | 0.648 | S | S | . | * | | | trans | -58.3 | 132.4 | 166 | -82.3 | -91.5 | 0 | 0 | 0 | 109.1 | S28 D34 | S28-Y30 PolarHBondContact O-N 3.39Å; Y30-D34 HydrophobicContact CD1-CB 4Å |
| 31 | S | 60.1 | Low | 59.2 | Low | 49 Ų | 49 | 110.1 Ų | 110.1 | 34% | 0.343 | 63% | 0.628 | S | S | . | * | | | trans | -64.7 | 150.5 | 171.5 | 78.9 | 0 | 0 | 0 | 0 | 109.6 | T29 Q33 D34 I35 | T29-S31 PolarHBondContact O-N 3.14Å; S31-Q33 PolarHBondContact O-N 3.16Å; S31-Q33 VanDerWaalsContact O-N 3.16Å; S31-Q33 PolarHBondContact OG-N 3.06Å; S31-D34 PolarHBondContact O-N 3.22Å; S31-D34 VanDerWaalsContact OG-CG 3.26Å; S31-D34 PolarHBondContact OG-N 3.02Å; S31-D34 PolarHBondContact OG-OD2 3.45Å; S31-I35 WeakPolarHBondContact O-CG1 3.18Å; S31-I35 PolarHBondContact O-N 2.86Å |
| 32 | E | 62.3 | Low | 61.6 | Low | 161 Ų | 161 | 107.5 Ų | 107.5 | 75% | 0.752 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.3 | -29.6 | 174 | -63.6 | -175.8 | 126.8 | 0 | 0 | 111.5 | I35 L36 | E32-I35 PolarHBondContact O-N 3.46Å; E32-L36 WeakPolarHBondContact O-CB 3.38Å; E32-L36 WeakPolarHBondContact O-CD1 3.15Å; E32-L36 WeakPolarHBondContact O-CG 3.45Å; E32-L36 PolarHBondContact O-N 3.05Å |
| 33 | Q | 62.2 | Low | 63.8 | Low | 151 Ų | 151 | 109.9 Ų | 109.9 | 71% | 0.706 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.1 | -36.8 | 174 | -60.9 | -173.8 | -1.4 | 0 | 0 | 112.2 | S31 R37 | S31-Q33 PolarHBondContact O-N 3.16Å; S31-Q33 VanDerWaalsContact O-N 3.16Å; S31-Q33 PolarHBondContact OG-N 3.06Å; Q33-R37 WeakPolarHBondContact O-CB 3.49Å; Q33-R37 WeakPolarHBondContact O-CG 3.34Å; Q33-R37 PolarHBondContact O-N 3.45Å |
| 34 | D | 77.5 | Confident | 65.6 | Low | 55 Ų | 55 | 112.6 Ų | 112.6 | 29% | 0.294 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -73.9 | -35.2 | 173.9 | -67 | -56.3 | 0 | 0 | 0 | 112.2 | Y30 S31 R37 Q38 | Y30-D34 HydrophobicContact CD1-CB 4Å; S31-D34 PolarHBondContact O-N 3.22Å; S31-D34 VanDerWaalsContact OG-CG 3.26Å; S31-D34 PolarHBondContact OG-N 3.02Å; S31-D34 PolarHBondContact OG-OD2 3.45Å; D34-R37 PolarHBondContact O-N 2.81Å; D34-R37 IonicContact OD1-CZ 2.95Å; D34-R37 IonicContact OD1-NH1 3.95Å; D34-R37 PolarHBondContact OD1-NH1 3Å; D34-Q38 WeakPolarHBondContact O-CB 3.49Å; D34-Q38 PolarHBondContact O-N 3.36Å |
| 35 | I | 81.4 | Confident | 67.8 | Low | 90 Ų | 90 | 109.3 Ų | 109.3 | 46% | 0.462 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.4 | -45.9 | 171.6 | -65.6 | 166.8 | 0 | 0 | 0 | 109.9 | S31 E32 Q38 E39 | S31-I35 WeakPolarHBondContact O-CG1 3.18Å; S31-I35 PolarHBondContact O-N 2.86Å; E32-I35 PolarHBondContact O-N 3.46Å; I35-Q38 PolarHBondContact O-N 3.43Å; I35-E39 VanDerWaalsContact O-CB 3.32Å; I35-E39 WeakPolarHBondContact O-CB 3.17Å; I35-E39 PolarHBondContact O-N 3.14Å |
| 36 | L | 85.4 | Confident | 68.7 | Low | 96 Ų | 96 | 105 Ų | 105 | 50% | 0.503 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.7 | -40.4 | 175.8 | -72.3 | 166.5 | 0 | 0 | 0 | 112.2 | E32 E39 L40 | E32-L36 WeakPolarHBondContact O-CB 3.38Å; E32-L36 WeakPolarHBondContact O-CD1 3.15Å; E32-L36 WeakPolarHBondContact O-CG 3.45Å; E32-L36 PolarHBondContact O-N 3.05Å; L36-E39 PolarHBondContact O-N 3.14Å; L36-L40 VanDerWaalsContact O-CB 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.19Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.42Å |
| 37 | R | 84.1 | Confident | 70 | Confident | 172 Ų | 172 | 103.9 Ų | 103.9 | 65% | 0.649 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.4 | -44.1 | 172.5 | -76.3 | 169.6 | 69.5 | -126.4 | -0.5 | 111.6 | Q33 D34 N41 | Q33-R37 WeakPolarHBondContact O-CB 3.49Å; Q33-R37 WeakPolarHBondContact O-CG 3.34Å; Q33-R37 PolarHBondContact O-N 3.45Å; D34-R37 PolarHBondContact O-N 2.81Å; D34-R37 IonicContact OD1-CZ 2.95Å; D34-R37 IonicContact OD1-NH1 3.95Å; D34-R37 PolarHBondContact OD1-NH1 3Å; R37-N41 WeakPolarHBondContact O-CB 3.36Å; R37-N41 PolarHBondContact O-N 3.33Å |
| 38 | Q | 86.1 | Confident | 71 | Confident | 108 Ų | 108 | 106 Ų | 106 | 51% | 0.505 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67 | -40.1 | 178.1 | -178.5 | 173.3 | -10.2 | 0 | 0 | 111.2 | D34 I35 T42 | D34-Q38 WeakPolarHBondContact O-CB 3.49Å; D34-Q38 PolarHBondContact O-N 3.36Å; I35-Q38 PolarHBondContact O-N 3.43Å; Q38-T42 VanDerWaalsContact O-CB 3.24Å; Q38-T42 WeakPolarHBondContact O-CB 3.2Å; Q38-T42 PolarHBondContact O-N 3.39Å; Q38-T42 PolarHBondContact O-OG1 3.38Å |
| 39 | E | 86.9 | Confident | 71.6 | Confident | 80 Ų | 80 | 105.2 Ų | 105.2 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.5 | -47.6 | 176 | -163.5 | -164.2 | -174 | 0 | 0 | 111.2 | I35 L36 N41 T42 R43 | I35-E39 VanDerWaalsContact O-CB 3.32Å; I35-E39 WeakPolarHBondContact O-CB 3.17Å; I35-E39 PolarHBondContact O-N 3.14Å; L36-E39 PolarHBondContact O-N 3.14Å; E39-N41 VanDerWaalsContact C-N 3.34Å; E39-N41 PolarHBondContact O-N 3.35Å; E39-T42 PolarHBondContact O-N 3.18Å; E39-R43 VanDerWaalsContact CD-NE 3.29Å; E39-R43 HydrophobicContact CG-CG 4.38Å; E39-R43 WeakPolarHBondContact O-CB 3.44Å; E39-R43 VanDerWaalsContact O-CG 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.24Å; E39-R43 PolarHBondContact O-N 2.99Å; E39-R43 IonicContact OE1-CZ 3.21Å; E39-R43 IonicContact OE1-NE 3.84Å; E39-R43 PolarHBondContact OE1-NE 3.13Å; E39-R43 IonicContact OE1-NH2 2.67Å; E39-R43 PolarHBondContact OE1-NH2 3.21Å; E39-R43 IonicContact OE2-NE 2.23Å; E39-R43 IonicContact OE2-NH2 2.88Å |
| 40 | L | 88.4 | Confident | 72 | Confident | 115 Ų | 115 | 102.3 Ų | 102.3 | 60% | 0.602 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.6 | -41.1 | 176.6 | -72.9 | 171.1 | 0 | 0 | 0 | 111.8 | L36 R43 F44 | L36-L40 VanDerWaalsContact O-CB 3.3Å; L36-L40 WeakPolarHBondContact O-CB 3.19Å; L36-L40 VanDerWaalsContact O-CG 3.23Å; L36-L40 WeakPolarHBondContact O-CG 3.43Å; L36-L40 PolarHBondContact O-N 3.42Å; L40-R43 PolarHBondContact O-N 3.19Å; L40-F44 VanDerWaalsContact O-CB 3.23Å; L40-F44 WeakPolarHBondContact O-CB 3.32Å; L40-F44 PolarHBondContact O-N 3.39Å |
| 41 | N | 80.3 | Confident | 71.9 | Confident | 93 Ų | 93 | 103.1 Ų | 103.1 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -42.9 | 174.8 | -167.2 | -3 | 0 | 0 | 0 | 111.4 | R37 E39 F44 L45 | R37-N41 WeakPolarHBondContact O-CB 3.36Å; R37-N41 PolarHBondContact O-N 3.33Å; E39-N41 VanDerWaalsContact C-N 3.34Å; E39-N41 PolarHBondContact O-N 3.35Å; N41-F44 PolarHBondContact O-N 3.44Å; N41-L45 WeakPolarHBondContact O-CB 3.19Å; N41-L45 WeakPolarHBondContact O-CG 3.16Å; N41-L45 PolarHBondContact O-N 3.47Å |
| 42 | T | 82.7 | Confident | 71.4 | Confident | 83 Ų | 83 | 111.1 Ų | 111.1 | 51% | 0.509 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -62.8 | -44 | 175.6 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | Q38 E39 F44 A46 | Q38-T42 VanDerWaalsContact O-CB 3.24Å; Q38-T42 WeakPolarHBondContact O-CB 3.2Å; Q38-T42 PolarHBondContact O-N 3.39Å; Q38-T42 PolarHBondContact O-OG1 3.38Å; E39-T42 PolarHBondContact O-N 3.18Å; T42-F44 VanDerWaalsContact C-N 3.34Å; T42-A46 WeakPolarHBondContact O-CB 3.4Å; T42-A46 PolarHBondContact O-N 3.44Å |
| 43 | R | 80.4 | Confident | 70.8 | Confident | 153 Ų | 153 | 107.5 Ų | 107.5 | 58% | 0.577 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -64.2 | -37.4 | 174.5 | -73.4 | 170.9 | 175 | -129.5 | 11.3 | 111.6 | E39 L40 S47 | E39-R43 VanDerWaalsContact CD-NE 3.29Å; E39-R43 HydrophobicContact CG-CG 4.38Å; E39-R43 WeakPolarHBondContact O-CB 3.44Å; E39-R43 VanDerWaalsContact O-CG 3.26Å; E39-R43 WeakPolarHBondContact O-CG 3.24Å; E39-R43 PolarHBondContact O-N 2.99Å; E39-R43 IonicContact OE1-CZ 3.21Å; E39-R43 IonicContact OE1-NE 3.84Å; E39-R43 PolarHBondContact OE1-NE 3.13Å; E39-R43 IonicContact OE1-NH2 2.67Å; E39-R43 PolarHBondContact OE1-NH2 3.21Å; E39-R43 IonicContact OE2-NE 2.23Å; E39-R43 IonicContact OE2-NH2 2.88Å; L40-R43 PolarHBondContact O-N 3.19Å; R43-S47 WeakPolarHBondContact O-CB 3.48Å; R43-S47 PolarHBondContact O-N 2.67Å; R43-S47 PolarHBondContact O-OG 3.16Å |
| 44 | F | 77.8 | Confident | 69.7 | Low | 119 Ų | 119 | 103.9 Ų | 103.9 | 52% | 0.522 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.9 | -48.8 | 176.5 | -176.5 | -117.9 | 0 | 0 | 0 | 111.8 | L40 N41 T42 A46 S47 Q48 | L40-F44 VanDerWaalsContact O-CB 3.23Å; L40-F44 WeakPolarHBondContact O-CB 3.32Å; L40-F44 PolarHBondContact O-N 3.39Å; N41-F44 PolarHBondContact O-N 3.44Å; T42-F44 VanDerWaalsContact C-N 3.34Å; F44-A46 PolarHBondContact O-N 2.85Å; F44-S47 WeakPolarHBondContact CA-OG 3.22Å; F44-S47 PolarHBondContact O-N 3.19Å; F44-S47 PolarHBondContact O-OG 2.99Å; F44-Q48 PolarHBondContact O-N 3.39Å |
| 45 | L | 77.6 | Confident | 68.3 | Low | 106 Ų | 106 | 107.4 Ų | 107.4 | 56% | 0.555 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -58.1 | -45.2 | 172.8 | -74.4 | 163.9 | 0 | 0 | 0 | 111.7 | N41 S47 Q48 S49 | N41-L45 WeakPolarHBondContact O-CB 3.19Å; N41-L45 WeakPolarHBondContact O-CG 3.16Å; N41-L45 PolarHBondContact O-N 3.47Å; L45-S47 PolarHBondContact O-N 3.01Å; L45-Q48 PolarHBondContact O-N 3.2Å; L45-S49 PolarHBondContact O-N 2.64Å |
| 46 | A | 62 | Low | 66.5 | Low | 50 Ų | 50 | 110.7 Ų | 110.7 | 41% | 0.413 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -61.6 | -41.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | T42 F44 Q48 S49 A50 | T42-A46 WeakPolarHBondContact O-CB 3.4Å; T42-A46 PolarHBondContact O-N 3.44Å; F44-A46 PolarHBondContact O-N 2.85Å; A46-Q48 PolarHBondContact O-N 2.63Å; A46-S49 PolarHBondContact O-N 2.84Å; A46-S49 VanDerWaalsContact O-N 3.13Å; A46-S49 PolarHBondContact O-OG 2.94Å; A46-A50 PolarHBondContact O-N 2.96Å |
| 47 | S | 62.4 | Low | 64.5 | Low | 63 Ų | 63 | 109.1 Ų | 109.1 | 44% | 0.441 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.8 | -38.9 | 177.3 | 72.9 | 0 | 0 | 0 | 0 | 112.6 | R43 F44 L45 S49 A50 | R43-S47 WeakPolarHBondContact O-CB 3.48Å; R43-S47 PolarHBondContact O-N 2.67Å; R43-S47 PolarHBondContact O-OG 3.16Å; F44-S47 WeakPolarHBondContact CA-OG 3.22Å; F44-S47 PolarHBondContact O-N 3.19Å; F44-S47 PolarHBondContact O-OG 2.99Å; L45-S47 PolarHBondContact O-N 3.01Å; S47-S49 VanDerWaalsContact C-N 3.32Å; S47-S49 PolarHBondContact O-N 3.39Å; S47-A50 WeakPolarHBondContact O-CB 3.31Å; S47-A50 PolarHBondContact O-N 3.47Å |
| 48 | Q | 56.6 | Low | 62.7 | Low | 113 Ų | 113 | 106.9 Ų | 106.9 | 53% | 0.528 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -67.6 | -31.3 | 172.7 | -68.8 | -170.1 | 46.1 | 0 | 0 | 112.8 | F44 L45 A46 A50 | F44-Q48 PolarHBondContact O-N 3.39Å; L45-Q48 PolarHBondContact O-N 3.2Å; A46-Q48 PolarHBondContact O-N 2.63Å; Q48-A50 VanDerWaalsContact C-N 3.33Å |
| 49 | S | 51.9 | Low | 60.8 | Low | 76 Ų | 76 | 106.9 Ų | 106.9 | 53% | 0.531 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -71.7 | -26 | 174.4 | 77.3 | 0 | 0 | 0 | 0 | 113.3 | L45 A46 S47 R52 | L45-S49 PolarHBondContact O-N 2.64Å; A46-S49 PolarHBondContact O-N 2.84Å; A46-S49 VanDerWaalsContact O-N 3.13Å; A46-S49 PolarHBondContact O-OG 2.94Å; S47-S49 VanDerWaalsContact C-N 3.32Å; S47-S49 PolarHBondContact O-N 3.39Å; S49-R52 PolarHBondContact O-N 2.86Å |
| 50 | A | 53.7 | Low | 59 | Low | 80 Ų | 80 | 108.9 Ų | 108.9 | 66% | 0.661 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -70.1 | -33.4 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | A46 S47 Q48 R52 | A46-A50 PolarHBondContact O-N 2.96Å; S47-A50 WeakPolarHBondContact O-CB 3.31Å; S47-A50 PolarHBondContact O-N 3.47Å; Q48-A50 VanDerWaalsContact C-N 3.33Å; A50-R52 PolarHBondContact O-N 2.78Å |
| 51 | D | 50.4 | Low | 56.9 | Low | 153 Ų | 153 | 113.3 Ų | 113.3 | 82% | 0.818 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -4.1 | 178.5 | -110.7 | -44.8 | 0 | 0 | 0 | 113.9 | | |
| 52 | R | 49.1 | Very low | 55.3 | Low | 216 Ų | 216 | 116.9 Ų | 116.9 | 82% | 0.815 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125 | 79 | 170.5 | -71.6 | -170.8 | 179.4 | -176.3 | 1.9 | 110.1 | S49 A50 A54 | S49-R52 PolarHBondContact O-N 2.86Å; A50-R52 PolarHBondContact O-N 2.78Å; R52-A54 PolarHBondContact O-N 3.33Å |
| 53 | G | 50.8 | Low | 53.2 | Low | 85 Ų | 85 | 124.8 Ų | 124.8 | 88% | 0.876 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -40.7 | 92.6 | -171 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 54 | A | 38.7 | Very low | 51.4 | Low | 75 Ų | 75 | 123.9 Ų | 123.9 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | | | trans | -120.7 | 110.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | R52 L56 | R52-A54 PolarHBondContact O-N 3.33Å; A54-L56 PolarHBondContact O-N 2.91Å |
| 55 | S | 48.5 | Very low | 49.6 | Very low | 129 Ų | 129 | 125.4 Ų | 125.4 | 90% | 0.902 | 72% | 0.72 | S | S | * | * | | | trans | -73.1 | 87.5 | 178.5 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | | |
| 56 | L | 42.6 | Very low | 47.7 | Very low | 159 Ų | 159 | 129 Ų | 129 | 83% | 0.832 | 73% | 0.731 | S | S | * | * | | | trans | -110.7 | 142.9 | 165.5 | -64.2 | 177.6 | 0 | 0 | 0 | 109.3 | A54 | A54-L56 PolarHBondContact O-N 2.91Š|
| 57 | G | 44.5 | Very low | 47.2 | Very low | 64 Ų | 64 | 132.6 Ų | 132.6 | 66% | 0.66 | 74% | 0.739 | S | S | * | * | | | trans | -72.4 | 176.7 | -165.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 58 | P | 46 | Very low | 46 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | | | trans | -58.9 | 146.4 | 175 | 26.8 | -34.9 | 0 | 0 | 0 | 111.4 | | |
| 59 | P | 45.9 | Very low | 45.3 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | | | trans | -65.8 | 143.4 | -175.4 | 26.7 | -34.9 | 0 | 0 | 0 | 112.1 | Y61 | P59-Y61 PolarHBondContact O-N 3.4Š|
| 60 | P | 48.6 | Very low | 44.8 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | trans | -82.1 | 84.8 | -170.3 | 33.4 | -36.8 | 0 | 0 | 0 | 112.7 | | |
| 61 | Y | 44.3 | Very low | 44.4 | Very low | 208 Ų | 208 | 146 Ų | 146 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | | | trans | -128.8 | 154 | 160.7 | -71 | -79.1 | 0 | 0 | 0 | 110.1 | P59 | P59-Y61 PolarHBondContact O-N 3.4Š|
| 62 | L | 46.4 | Very low | 44 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | trans | 71.7 | 82.8 | -163.2 | -50.9 | -178.5 | 0 | 0 | 0 | 114 | T64 | L62-T64 PolarHBondContact O-N 3.45Š|
| 63 | R | 40 | Very low | 43.9 | Very low | 248 Ų | 248 | 143.7 Ų | 143.7 | 94% | 0.936 | 77% | 0.766 | S | S | * | * | | | trans | -66.3 | 101.9 | 158.6 | 173.1 | -172.2 | -179.9 | -179.7 | -0.2 | 108.5 | E65 | R63-E65 PolarHBondContact O-N 2.77Š|
| 64 | T | 40.6 | Very low | 43.5 | Very low | 135 Ų | 135 | 148.6 Ų | 148.6 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | | | trans | -64.9 | 125.4 | 164.9 | 21.9 | 0 | 0 | 0 | 0 | 109.6 | L62 F66 | L62-T64 PolarHBondContact O-N 3.45Å; T64-F66 PolarHBondContact O-N 3.24Å |
| 65 | E | 41.3 | Very low | 44 | Very low | 150 Ų | 150 | 152 Ų | 152 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | trans | -73.9 | 114.3 | 172.4 | 57.4 | -165.3 | 162.6 | 0 | 0 | 110.2 | R63 H67 | R63-E65 PolarHBondContact O-N 2.77Å; E65-H67 PolarHBondContact O-N 3.23Å; E65-H67 VanDerWaalsContact O-N 3.14Å; E65-H67 IonicContact OE2-CE1 2.84Å; E65-H67 PolarHBondContact OE2-CE1 2.83Å |
| 66 | F | 38.2 | Very low | 43.8 | Very low | 182 Ų | 182 | 152.2 Ų | 152.2 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | | | trans | -87.6 | 81.4 | -179.3 | -164.4 | -92.7 | 0 | 0 | 0 | 110.3 | T64 Q68 | T64-F66 PolarHBondContact O-N 3.24Å; F66-Q68 HydrophobicContact CD1-CG 3.98Å; F66-Q68 HydrophobicContact CE1-CG 3.82Å; F66-Q68 PolarHBondContact O-N 2.86Å; F66-Q68 VanDerWaalsContact O-N 3.14Å |
| 67 | H | 49.6 | Very low | 43.9 | Very low | 125 Ų | 125 | 152 Ų | 152 | 58% | 0.579 | 76% | 0.759 | S | S | * | * | | | trans | -68 | 105.3 | 172 | -76.6 | 103.8 | 0 | 0 | 0 | 110.3 | E65 H69 | E65-H67 PolarHBondContact O-N 3.23Å; E65-H67 VanDerWaalsContact O-N 3.14Å; E65-H67 IonicContact OE2-CE1 2.84Å; E65-H67 PolarHBondContact OE2-CE1 2.83Å; H67-H69 PolarHBondContact O-N 2.67Å; H67-H69 VanDerWaalsContact O-N 3.13Å |
| 68 | Q | 38.9 | Very low | 43.6 | Very low | 167 Ų | 167 | 158.2 Ų | 158.2 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | trans | -71.6 | 101.9 | 169.2 | -77.6 | -167.9 | 33.4 | 0 | 0 | 110.1 | F66 Q70 | F66-Q68 HydrophobicContact CD1-CG 3.98Å; F66-Q68 HydrophobicContact CE1-CG 3.82Å; F66-Q68 PolarHBondContact O-N 2.86Å; F66-Q68 VanDerWaalsContact O-N 3.14Å; Q68-Q70 PolarHBondContact O-N 3.44Å |
| 69 | H | 41.9 | Very low | 43.5 | Very low | 142 Ų | 142 | 159 Ų | 159 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | | | trans | -83.9 | 103.2 | 162.8 | -64.2 | -65.9 | 0 | 0 | 0 | 109.4 | H67 H71 | H67-H69 PolarHBondContact O-N 2.67Å; H67-H69 VanDerWaalsContact O-N 3.13Å; H69-H71 PolarHBondContact O-N 2.88Å |
| 70 | Q | 39.9 | Very low | 43.3 | Very low | 173 Ų | 173 | 160.7 Ų | 160.7 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | | | trans | -74 | 102.7 | 171.6 | -174.1 | -169.7 | 30.8 | 0 | 0 | 109.4 | Q68 | Q68-Q70 PolarHBondContact O-N 3.44Š|
| 71 | H | 47.1 | Very low | 42.9 | Very low | 133 Ų | 133 | 162 Ų | 162 | 62% | 0.616 | 77% | 0.767 | S | S | * | * | | | trans | -96.7 | 112.6 | 171.3 | -65 | -61.8 | 0 | 0 | 0 | 110.7 | H69 H73 | H69-H71 PolarHBondContact O-N 2.88Å; H71-H73 PolarHBondContact O-N 3.48Å |
| 72 | Q | 40.9 | Very low | 42.6 | Very low | 180 Ų | 180 | 159 Ų | 159 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | | | trans | -73.9 | 113.7 | 162.2 | -75.4 | -173.8 | -14.4 | 0 | 0 | 108.8 | | |
| 73 | H | 46.9 | Very low | 42.4 | Very low | 139 Ų | 139 | 158.8 Ų | 158.8 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | | | trans | -97.9 | 107.6 | 170.3 | -68.2 | -62.9 | 0 | 0 | 0 | 109.9 | H71 H75 | H71-H73 PolarHBondContact O-N 3.48Å; H73-H75 PolarHBondContact O-N 2.87Å |
| 74 | Q | 42.3 | Very low | 42 | Very low | 188 Ų | 188 | 152 Ų | 152 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | | | trans | -82.1 | 103.4 | 173 | -171.7 | 170.8 | 13.9 | 0 | 0 | 109.3 | T76 | Q74-T76 PolarHBondContact O-N 3.46Š|
| 75 | H | 48.9 | Very low | 42 | Very low | 148 Ų | 148 | 154.6 Ų | 154.6 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | | | trans | -81.4 | 113.4 | -179.3 | -67.8 | -69.6 | 0 | 0 | 0 | 111.9 | H73 H77 | H73-H75 PolarHBondContact O-N 2.87Å; H75-H77 PolarHBondContact O-N 3.33Å |
| 76 | T | 45.3 | Very low | 42.1 | Very low | 133 Ų | 133 | 153.1 Ų | 153.1 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | | | trans | -85.9 | 102.1 | 169.4 | 53.7 | 0 | 0 | 0 | 0 | 110.1 | Q74 Q78 | Q74-T76 PolarHBondContact O-N 3.46Å; T76-Q78 PolarHBondContact O-N 3.04Å |
| 77 | H | 43.4 | Very low | 42.8 | Very low | 153 Ų | 153 | 150.2 Ų | 150.2 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | | | trans | -77 | 114.7 | 173.3 | -71.8 | -69 | 0 | 0 | 0 | 111.1 | H75 | H75-H77 PolarHBondContact O-N 3.33Š|
| 78 | Q | 39.2 | Very low | 42.3 | Very low | 196 Ų | 196 | 153.2 Ų | 153.2 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | | | trans | -97.4 | 115.1 | 164.5 | -172.4 | 173.5 | 70 | 0 | 0 | 108.9 | T76 | T76-Q78 PolarHBondContact O-N 3.04Š|
| 79 | H | 44.3 | Very low | 43.1 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 65% | 0.648 | 74% | 0.744 | S | S | * | * | | | trans | -94.9 | 139.2 | 176.3 | -66.6 | -83.6 | 0 | 0 | 0 | 110.8 | | |
| 80 | T | 42.1 | Very low | 42.9 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 88% | 0.877 | 75% | 0.75 | S | S | * | * | | | trans | -127.6 | 144.4 | 163.2 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 81 | H | 39 | Very low | 42.5 | Very low | 150 Ų | 150 | 146.6 Ų | 146.6 | 69% | 0.694 | 75% | 0.745 | S | S | * | * | | | trans | -128.9 | 140 | -159.7 | -85 | -74.3 | 0 | 0 | 0 | 113.7 | | |
| 82 | Q | 38.9 | Very low | 42.3 | Very low | 145 Ų | 145 | 147.3 Ų | 147.3 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | trans | 65.6 | 161.6 | 165.6 | -61.8 | -160 | 43 | 0 | 0 | 116.3 | | |
| 83 | H | 42.1 | Very low | 42.6 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | | | cis | -122.7 | 137.1 | 8.1 | -58.6 | -87.5 | 0 | 0 | 0 | 109.7 | | |
| 84 | T | 32 | Very low | 42.7 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | | | | 69 | 90.9 | 66.2 | -49.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 85 | F | 38.7 | Very low | 42.3 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | | | trans | -166.3 | 127 | 135.8 | -131.4 | -90.6 | 0 | 0 | 0 | 113.1 | | |
| 86 | T | 45.3 | Very low | 41.6 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 73% | 0.73 | 75% | 0.749 | S | S | * | * | | | trans | -159.6 | 140.9 | 171.4 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 87 | P | 51.5 | Low | 41.4 | Very low | 120 Ų | 120 | 139 Ų | 139 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | -114 | 139.8 | 152.7 | -0.6 | 22.1 | 0 | 0 | 0 | 113.3 | | |
| 88 | F | 39.4 | Very low | 40.9 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | | | trans | -86.8 | -167.9 | 169.9 | -98.5 | -74.9 | 0 | 0 | 0 | 109.5 | | |
| 89 | P | 54.8 | Low | 41.7 | Very low | 90 Ų | 90 | 135.1 Ų | 135.1 | 58% | 0.584 | 75% | 0.745 | S | S | * | * | | | cis | -158 | -176.2 | 29.8 | 42.9 | -18.1 | 0 | 0 | 0 | 121.9 | | |
| 90 | H | 37.9 | Very low | 41.4 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | | | trans | 74 | 149.5 | 160.3 | -53.3 | -37.9 | 0 | 0 | 0 | 118.5 | | |
| 91 | A | 32.9 | Very low | 41.6 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 69% | 0.694 | 75% | 0.748 | S | S | * | * | | | cis | -154.8 | 144.6 | -3.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 92 | I | 42.9 | Very low | 41.5 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | | | | 69.6 | 133.5 | 66.8 | -63.3 | 171.8 | 0 | 0 | 0 | 112.4 | | |
| 93 | P | 45.8 | Very low | 42.5 | Very low | 116 Ų | 116 | 129.6 Ų | 129.6 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | | | cis | -129.3 | -133.7 | -2.4 | 36 | -10.3 | 0 | 0 | 0 | 114.7 | | |
| 94 | P | 49.7 | Very low | 43 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 68% | 0.675 | 75% | 0.751 | S | S | * | * | | | | -139.1 | -150.2 | -115.9 | 47 | -24 | 0 | 0 | 0 | 116.3 | | |
| 95 | T | 34.4 | Very low | 43.2 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | | | trans | 67.4 | 117 | 167.2 | 43.3 | 0 | 0 | 0 | 0 | 117.1 | | |
| 96 | A | 33.8 | Very low | 43.4 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | | | cis | 95.2 | 110 | 49.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 97 | I | 40.3 | Very low | 42.9 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | | | trans | -98.3 | 132.2 | 174.8 | -66 | 169.5 | 0 | 0 | 0 | 108.3 | | |
| 98 | M | 33.8 | Very low | 42.2 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 84% | 0.837 | 74% | 0.743 | S | S | * | * | | | trans | -99.2 | 157 | 163.9 | -72.7 | -127.8 | 77.4 | 0 | 0 | 111.1 | | |
| 99 | P | 55.1 | Low | 42.2 | Very low | 98 Ų | 98 | 131.4 Ų | 131.4 | 64% | 0.636 | 75% | 0.745 | S | S | * | * | | | trans | -107.6 | -137.3 | -163.4 | 43.4 | -35.3 | 0 | 0 | 0 | 112.4 | | |
| 100 | T | 38.5 | Very low | 42 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 82% | 0.816 | 75% | 0.752 | S | S | * | * | | | trans | 77.8 | 147 | 176.1 | 40.2 | 0 | 0 | 0 | 0 | 117.5 | | |
| 101 | P | 46.6 | Very low | 42.1 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 79% | 0.786 | 76% | 0.758 | S | S | * | * | | | trans | -143.1 | -157.4 | -134.1 | 43.1 | -21.5 | 0 | 0 | 0 | 115.1 | | |
| 102 | A | 36.7 | Very low | 42.5 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | | | trans | 110.7 | 152.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 103 | P | 60.6 | Low | 42.4 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -102.8 | -158.1 | -170.1 | 45.9 | -35.6 | 0 | 0 | 0 | 109.9 | | |
| 104 | P | 52.3 | Low | 42 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | | | cis | -141.8 | -174.1 | 10.4 | 35.8 | -11.2 | 0 | 0 | 0 | 116.9 | | |
| 105 | M | 35.2 | Very low | 41.9 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 82% | 0.823 | 77% | 0.774 | S | S | * | * | | | | 154.7 | 161.9 | 122.6 | -78.4 | -157 | -63.1 | 0 | 0 | 113.1 | | |
| 106 | F | 43.5 | Very low | 42.2 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | | | trans | -125.7 | 149.7 | -176.2 | 33.9 | -99.4 | 0 | 0 | 0 | 108 | | |
| 107 | D | 36.2 | Very low | 42.4 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 60% | 0.599 | 77% | 0.769 | S | S | * | * | | | trans | -179.5 | 132.8 | 141.8 | -99 | -18.1 | 0 | 0 | 0 | 117.5 | | |
| 108 | K | 36.1 | Very low | 42.4 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 67% | 0.665 | 77% | 0.767 | S | S | * | * | | | trans | 55 | 99.7 | 130 | -59.9 | 166.2 | -175.3 | 123.1 | 0 | 123.1 | | |
| 109 | Y | 39.3 | Very low | 42.6 | Very low | 220 Ų | 220 | 145.7 Ų | 145.7 | 86% | 0.863 | 76% | 0.76 | S | S | * | * | | | | 66.8 | -175.3 | 124.8 | -65.1 | -67.5 | 0 | 0 | 0 | 118.9 | | |
| 110 | P | 50.1 | Low | 41.6 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | | -139.5 | 146.3 | -99.9 | 38.9 | -17.2 | 0 | 0 | 0 | 117.5 | | |
| 111 | T | 39.9 | Very low | 41.6 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 92% | 0.92 | 76% | 0.763 | S | S | * | * | | | trans | -121.6 | 137.4 | 172.5 | -54.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 112 | K | 42.7 | Very low | 41.2 | Very low | 192 Ų | 192 | 150.2 Ų | 150.2 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | trans | -93.4 | 142.6 | -174.8 | -42.9 | 163.4 | -172.8 | 173.3 | 0 | 110.6 | | |
| 113 | V | 40.4 | Very low | 40.9 | Very low | 152 Ų | 152 | 154.9 Ų | 154.9 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | | | trans | -167 | 160.1 | 140.2 | -99.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 114 | D | 36.6 | Very low | 39.5 | Very low | 122 Ų | 122 | 154.5 Ų | 154.5 | 65% | 0.652 | 77% | 0.771 | S | S | * | * | | | trans | -99 | 131.6 | -170.8 | -178.3 | 30.2 | 0 | 0 | 0 | 112.5 | F116 | D114-F116 PolarHBondContact O-N 2.69Å; D114-F116 VanDerWaalsContact OD2-CD2 3.31Å; D114-F116 WeakPolarHBondContact OD2-CD2 3.39Å; D114-F116 WeakPolarHBondContact OD2-CE2 3.23Å |
| 115 | P | 47.3 | Very low | 38.5 | Very low | 124 Ų | 124 | 159.5 Ų | 159.5 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | | | trans | -98.2 | 80.5 | -172 | 37.2 | -35.3 | 0 | 0 | 0 | 114.8 | | |
| 116 | F | 41.9 | Very low | 39 | Very low | 162 Ų | 162 | 156.9 Ų | 156.9 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | -104.3 | 145.2 | 164.6 | -77.4 | -90.1 | 0 | 0 | 0 | 112.2 | D114 | D114-F116 PolarHBondContact O-N 2.69Å; D114-F116 VanDerWaalsContact OD2-CD2 3.31Å; D114-F116 WeakPolarHBondContact OD2-CD2 3.39Å; D114-F116 WeakPolarHBondContact OD2-CE2 3.23Å |
| 117 | Y | 37.8 | Very low | 39.2 | Very low | 193 Ų | 193 | 154.6 Ų | 154.6 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | trans | 63.4 | 108.9 | -172.9 | -69 | -102.6 | 0 | 0 | 0 | 114.2 | H119 | Y117-H119 AromaticContact CD1-NE2 3.86Š|
| 118 | R | 39.3 | Very low | 39.6 | Very low | 220 Ų | 220 | 153.9 Ų | 153.9 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | | | | 80 | 157.3 | 65.4 | -75.8 | -162.4 | 176.4 | -143.2 | 1.3 | 114.4 | | |
| 119 | H | 39.4 | Very low | 39.5 | Very low | 148 Ų | 148 | 153.9 Ų | 153.9 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | 42.3 | 107.3 | 168.5 | 43 | 50.2 | 0 | 0 | 0 | 117.9 | Y117 | Y117-H119 AromaticContact CD1-NE2 3.86Š|
| 120 | S | 32.6 | Very low | 39.6 | Very low | 94 Ų | 94 | 149.5 Ų | 149.5 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | | | | 93.4 | 110 | 52.3 | -176.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 121 | L | 38.2 | Very low | 39.5 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -124.7 | 103.3 | 175.4 | -74.5 | 169.2 | 0 | 0 | 0 | 110 | | |
| 122 | F | 38.7 | Very low | 39.6 | Very low | 186 Ų | 186 | 147.6 Ų | 147.6 | 82% | 0.816 | 79% | 0.791 | S | S | * | * | | | trans | -74.9 | 160.9 | 164.5 | -77.1 | -92.2 | 0 | 0 | 0 | 110.5 | | |
| 123 | H | 30.4 | Very low | 39.7 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | | | trans | -108 | 151.8 | 160.6 | -78.3 | 49.1 | 0 | 0 | 0 | 109.5 | | |
| 124 | S | 31.8 | Very low | 39.9 | Very low | 110 Ų | 110 | 142.7 Ų | 142.7 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -110.7 | -178.7 | -155 | -166.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 125 | Y | 31.6 | Very low | 39.7 | Very low | 209 Ų | 209 | 144.7 Ų | 144.7 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | | | trans | 119.3 | 143.9 | 157.3 | -81.8 | -89.6 | 0 | 0 | 0 | 116.2 | | |
| 126 | P | 45.4 | Very low | 39.7 | Very low | 113 Ų | 113 | 146.5 Ų | 146.5 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | | | cis | -113.2 | 174.9 | -27.2 | 8.8 | 15.3 | 0 | 0 | 0 | 112.7 | | |
| 127 | P | 48.4 | Very low | 39.6 | Very low | 121 Ų | 121 | 143.5 Ų | 143.5 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | -96.6 | 139.6 | -174.1 | 35.9 | -33.7 | 0 | 0 | 0 | 116.6 | | |
| 128 | A | 43.3 | Very low | 40 | Very low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | | | trans | 48.5 | 130.8 | 138.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | | |
| 129 | V | 34.9 | Very low | 40.1 | Very low | 154 Ų | 154 | 136.3 Ų | 136.3 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | | | | -122.2 | 152.6 | 127.9 | -81.5 | 0 | 0 | 0 | 0 | 109 | | |
| 130 | S | 41.7 | Very low | 40.1 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | | | trans | -121.9 | 146.5 | -169.9 | -177 | 0 | 0 | 0 | 0 | 111.9 | | |
| 131 | G | 47 | Very low | 41.6 | Very low | 64 Ų | 64 | 133.9 Ų | 133.9 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | | | trans | 122.9 | 89.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 132 | I | 41.4 | Very low | 41.5 | Very low | 158 Ų | 158 | 136 Ų | 136 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | | | trans | -177.5 | 123.2 | 142.2 | -92.5 | 148 | 0 | 0 | 0 | 107.2 | | |
| 133 | P | 46.1 | Very low | 41.6 | Very low | 123 Ų | 123 | 129.9 Ų | 129.9 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | | | trans | -101.4 | 115.9 | 170.5 | 33.7 | -26.5 | 0 | 0 | 0 | 111.6 | | |
| 134 | P | 44.9 | Very low | 42 | Very low | 118 Ų | 118 | 126.5 Ų | 126.5 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | | | trans | -79.6 | 141.1 | 168.8 | 31.1 | -31.8 | 0 | 0 | 0 | 111.5 | | |
| 135 | M | 32.7 | Very low | 42.7 | Very low | 164 Ų | 164 | 128.1 Ų | 128.1 | 81% | 0.808 | 79% | 0.787 | S | S | * | * | | | trans | -68.1 | 157.9 | -172.1 | -70.2 | 170.9 | 55 | 0 | 0 | 115.4 | | |
| 136 | I | 47 | Very low | 43.2 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | trans | -112.9 | 124 | 153.1 | -58.8 | 171.8 | 0 | 0 | 0 | 108.7 | | |
| 137 | P | 39.3 | Very low | 42.8 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 64% | 0.643 | 79% | 0.793 | S | S | * | * | | | trans | -103.8 | 162.3 | 148.9 | 31.1 | -20.3 | 0 | 0 | 0 | 111.2 | | |
| 138 | P | 45.5 | Very low | 42.2 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | | | trans | -114.4 | -175.8 | -132.4 | 39.5 | -32.6 | 0 | 0 | 0 | 117.1 | | |
| 139 | T | 42.8 | Very low | 42.1 | Very low | 143 Ų | 143 | 129 Ų | 129 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -50.5 | 136.9 | 178.4 | 50.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 140 | G | 38.9 | Very low | 42.9 | Very low | 70 Ų | 70 | 130.5 Ų | 130.5 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | | | trans | -179.8 | 126.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 141 | P | 62.6 | Low | 43.1 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 79% | 0.792 | 78% | 0.784 | S | S | * | * | | | trans | -103.6 | 111.4 | -175.4 | 35.6 | -30.2 | 0 | 0 | 0 | 114.7 | | |
| 142 | F | 37 | Very low | 42.5 | Very low | 210 Ų | 210 | 137.1 Ų | 137.1 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | | | trans | -144.4 | 152.3 | 159.3 | -71.9 | -88.4 | 0 | 0 | 0 | 108.2 | | |
| 143 | G | 41 | Very low | 42.7 | Very low | 57 Ų | 57 | 135.6 Ų | 135.6 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | | | cis | 140.7 | 108.3 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 144 | S | 39.3 | Very low | 42.4 | Very low | 117 Ų | 117 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | | | trans | 69.4 | 155.8 | -176.6 | 85.1 | 0 | 0 | 0 | 0 | 115 | | |
| 145 | L | 45 | Very low | 42.1 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | | | cis | -129.6 | 133.8 | 2.4 | -79.8 | 168.1 | 0 | 0 | 0 | 113.1 | | |
| 146 | Q | 43.8 | Very low | 42.9 | Very low | 188 Ų | 188 | 134.9 Ų | 134.9 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | | | trans | 19.4 | 136.6 | 144.3 | -64.5 | 172.2 | -40.2 | 0 | 0 | 123 | | |
| 147 | G | 35.5 | Very low | 42.6 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -152.4 | 31 | 174.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 148 | A | 37 | Very low | 42.9 | Very low | 82 Ų | 82 | 137.3 Ų | 137.3 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 66.6 | 157.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 149 | F | 41.4 | Very low | 42.9 | Very low | 209 Ų | 209 | 138.9 Ų | 138.9 | 92% | 0.917 | 81% | 0.812 | S | S | * | * | | | trans | 61.8 | 60.4 | 170.2 | -54.4 | -69.7 | 0 | 0 | 0 | 119.5 | | |
| 150 | Q | 50.8 | Low | 42.4 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | | | trans | -93.4 | 144.7 | 151.9 | -71.6 | -178.8 | -64.5 | 0 | 0 | 111.3 | | |
| 151 | P | 45.8 | Very low | 42.2 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | -70.4 | 137.6 | 165.6 | 30.7 | -33.5 | 0 | 0 | 0 | 110.5 | T153 | P151-T153 PolarHBondContact O-N 2.83Å; P151-T153 VanDerWaalsContact O-N 3.1Å |
| 152 | K | 35.5 | Very low | 40.8 | Very low | 216 Ų | 216 | 143.8 Ų | 143.8 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | | | trans | -71.2 | 102 | -178.1 | -68.3 | -178.8 | 178.7 | 179.2 | 0 | 111.5 | | |
| 153 | T | 45.3 | Very low | 40.9 | Very low | 126 Ų | 126 | 140 Ų | 140 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 131 | 161 | 52.5 | 0 | 0 | 0 | 0 | 109.8 | P151 | P151-T153 PolarHBondContact O-N 2.83Å; P151-T153 VanDerWaalsContact O-N 3.1Å |
| 154 | S | 38.7 | Very low | 40.8 | Very low | 114 Ų | 114 | 140.8 Ų | 140.8 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138.2 | 178.4 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | | |
| 155 | N | 39.2 | Very low | 40.8 | Very low | 144 Ų | 144 | 142 Ų | 142 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 134.4 | 178.9 | -66.4 | -17.1 | 0 | 0 | 0 | 112.2 | | |
| 156 | P | 50.3 | Low | 40.3 | Very low | 132 Ų | 132 | 141.3 Ų | 141.3 | 86% | 0.857 | 83% | 0.827 | S | S | * | * | | | trans | -97.4 | 64.9 | 161.5 | 37.2 | -30.7 | 0 | 0 | 0 | 110 | | |
| 157 | I | 40.3 | Very low | 39.9 | Very low | 147 Ų | 147 | 137.3 Ų | 137.3 | 75% | 0.754 | 82% | 0.817 | S | S | * | * | | | trans | -138.8 | 95.1 | 174.9 | -113.7 | 167.6 | 0 | 0 | 0 | 109 | | |
| 158 | D | 44.3 | Very low | 39.9 | Very low | 164 Ų | 164 | 142.9 Ų | 142.9 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | | | trans | -160.5 | 56.1 | 165.1 | -129 | -16.6 | 0 | 0 | 0 | 110 | | |
| 159 | V | 45.5 | Very low | 39.9 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | | | trans | -135.4 | 80.2 | 172.1 | -175 | 0 | 0 | 0 | 0 | 108.3 | | |
| 160 | A | 32.8 | Very low | 39.8 | Very low | 94 Ų | 94 | 142.4 Ų | 142.4 | 78% | 0.777 | 82% | 0.821 | S | S | * | * | | | trans | -97 | 135.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 161 | A | 34.4 | Very low | 39.1 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 82% | 0.817 | S | S | * | * | | | trans | 49.2 | 91.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 162 | R | 34.7 | Very low | 39 | Very low | 247 Ų | 247 | 144.4 Ų | 144.4 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | | | | -122 | 124.1 | 126.7 | -80.7 | -168.1 | 172.4 | -163.1 | -2.2 | 108.9 | | |
| 163 | P | 38.1 | Very low | 38.9 | Very low | 130 Ų | 130 | 142.1 Ų | 142.1 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | | | trans | -79.6 | 141.9 | -179.6 | 31.5 | -33.7 | 0 | 0 | 0 | 111.7 | | |
| 164 | G | 39.5 | Very low | 38.2 | Very low | 73 Ų | 73 | 141.6 Ų | 141.6 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | 100.4 | 82.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 165 | T | 38.7 | Very low | 38.9 | Very low | 144 Ų | 144 | 142.3 Ų | 142.3 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -166.9 | 147.9 | 132.6 | -76 | 0 | 0 | 0 | 0 | 108.7 | | |
| 166 | V | 34.3 | Very low | 39.3 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | | | trans | -75.9 | 133.1 | -167.8 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 167 | P | 36.5 | Very low | 39.2 | Very low | 103 Ų | 103 | 148 Ų | 148 | 67% | 0.669 | 81% | 0.814 | S | S | * | * | | | trans | -80.7 | 122.8 | 171.8 | 31.6 | -32.6 | 0 | 0 | 0 | 111.6 | T169 | P167-T169 PolarHBondContact O-N 2.94Š|
| 168 | H | 34.3 | Very low | 39.5 | Very low | 196 Ų | 196 | 147.8 Ų | 147.8 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | | | trans | -82.7 | 102 | 175 | -124.5 | -44.9 | 0 | 0 | 0 | 110.8 | | |
| 169 | T | 37.5 | Very low | 39.5 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | -100.3 | 100.2 | 176.3 | 54.3 | 0 | 0 | 0 | 0 | 112 | P167 | P167-T169 PolarHBondContact O-N 2.94Š|
| 170 | L | 39.8 | Very low | 40.2 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -156.7 | 154.8 | 155.4 | -142.1 | 70.8 | 0 | 0 | 0 | 111.6 | | |
| 171 | L | 35.4 | Very low | 41 | Very low | 150 Ų | 150 | 145.6 Ų | 145.6 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | 63 | 61.5 | 175 | -59.8 | 176 | 0 | 0 | 0 | 116.8 | | |
| 172 | Q | 44.7 | Very low | 41.9 | Very low | 192 Ų | 192 | 149.9 Ų | 149.9 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | | | trans | -63.9 | 137 | 132 | -98.6 | -164.6 | 8.3 | 0 | 0 | 108.6 | | |
| 173 | K | 33.2 | Very low | 42.8 | Very low | 168 Ų | 168 | 143.9 Ų | 143.9 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | | | trans | -151.2 | 134.7 | 161.8 | -167.3 | 143.8 | -174.8 | 173.1 | 0 | 113.6 | | |
| 174 | D | 29.1 | Very low | 43.2 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 62% | 0.62 | 77% | 0.766 | S | S | * | * | | | trans | 52.9 | 81.7 | 163.1 | -57.1 | -24.3 | 0 | 0 | 0 | 120 | R176 | D174-R176 PolarHBondContact O-N 3.34Š|
| 175 | P | 54.2 | Low | 43.9 | Very low | 129 Ų | 129 | 149 Ų | 149 | 84% | 0.838 | 78% | 0.775 | S | S | * | * | | | trans | -67.7 | 31.4 | 165.5 | -19.9 | 34.2 | 0 | 0 | 0 | 115.9 | | |
| 176 | R | 47 | Very low | 45 | Very low | 230 Ų | 230 | 151 Ų | 151 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | | | trans | -139.1 | 52.6 | -163.6 | -70.1 | -172.2 | 174.6 | 172 | -1.1 | 116.5 | D174 | D174-R176 PolarHBondContact O-N 3.34Š|
| 177 | L | 48.1 | Very low | 46.5 | Very low | 165 Ų | 165 | 154 Ų | 154 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -161.1 | 67.5 | 148.4 | -158.8 | 67.6 | 0 | 0 | 0 | 114.2 | D179 | L177-D179 PolarHBondContact O-N 2.98Å; L177-D179 VanDerWaalsContact O-N 3.17Å |
| 178 | T | 47 | Very low | 47.8 | Very low | 142 Ų | 142 | 155 Ų | 155 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | | | trans | -80.1 | 93.6 | 163.4 | 49 | 0 | 0 | 0 | 0 | 110.3 | | |
| 179 | D | 45.3 | Very low | 49.6 | Very low | 59 Ų | 59 | 148.2 Ų | 148.2 | 32% | 0.316 | 76% | 0.759 | S | S | . | * | | | trans | -40.5 | 117 | 168.5 | 176.7 | -2 | 0 | 0 | 0 | 112.8 | L177 F181 R182 | L177-D179 PolarHBondContact O-N 2.98Å; L177-D179 VanDerWaalsContact O-N 3.17Å; D179-F181 PolarHBondContact O-N 3.34Å; D179-F181 VanDerWaalsContact O-N 3.17Å; D179-F181 PolarHBondContact OD1-N 3.41Å; D179-R182 HydrophobicContact CB-CG 4.13Å; D179-R182 PolarHBondContact O-N 2.87Å; D179-R182 WeakPolarHBondContact OD2-CG 3.39Å; D179-R182 IonicContact OD2-CZ 3.83Å; D179-R182 IonicContact OD2-NE 3.7Å; D179-R182 PolarHBondContact OD2-NE 2.65Å |
| 180 | P | 58.8 | Low | 51.6 | Low | 120 Ų | 120 | 152.4 Ų | 152.4 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -19 | -179.5 | -24.2 | 34.6 | 0 | 0 | 0 | 115.1 | | |
| 181 | F | 50.9 | Low | 54 | Low | 186 Ų | 186 | 153.8 Ų | 153.8 | 82% | 0.816 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -4.4 | -176.5 | -66.5 | -80.8 | 0 | 0 | 0 | 113.6 | D179 P183 | D179-F181 PolarHBondContact O-N 3.34Å; D179-F181 VanDerWaalsContact O-N 3.17Å; D179-F181 PolarHBondContact OD1-N 3.41Å; F181-P183 WeakPolarHBondContact O-CD 3.23Å |
| 182 | R | 53.8 | Low | 56.5 | Low | 187 Ų | 187 | 149.5 Ų | 149.5 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -82.2 | 120.1 | 169.3 | -72.9 | 174.5 | -166.1 | -124.6 | -5.5 | 109.2 | D179 M184 | D179-R182 HydrophobicContact CB-CG 4.13Å; D179-R182 PolarHBondContact O-N 2.87Å; D179-R182 WeakPolarHBondContact OD2-CG 3.39Å; D179-R182 IonicContact OD2-CZ 3.83Å; D179-R182 IonicContact OD2-NE 3.7Å; D179-R182 PolarHBondContact OD2-NE 2.65Å; R182-M184 PolarHBondContact O-N 2.83Å |
| 183 | P | 51.6 | Low | 58.6 | Low | 120 Ų | 120 | 144.4 Ų | 144.4 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.1 | 160.8 | -19.6 | 32.2 | 0 | 0 | 0 | 107.3 | F181 L185 | F181-P183 WeakPolarHBondContact O-CD 3.23Å; P183-L185 PolarHBondContact O-N 3.09Å |
| 184 | M | 47.7 | Very low | 61.6 | Low | 131 Ų | 131 | 142.1 Ų | 142.1 | 65% | 0.645 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 131 | 172 | -77.2 | 174.7 | -83.8 | 0 | 0 | 107.9 | R182 R186 | R182-M184 PolarHBondContact O-N 2.83Å; M184-R186 HydrophobicContact CB-CG 3.92Å; M184-R186 PolarHBondContact O-N 2.95Å; M184-R186 PolarHBondContact SD-NE 2.85Å; M184-R186 VanDerWaalsContact SD-NE 3.43Å; M184-R186 PolarHBondContact SD-NH2 3.48Å; M184-R186 VanDerWaalsContact SD-NH2 3.36Å |
| 185 | L | 54.7 | Low | 64.8 | Low | 180 Ų | 180 | 141.5 Ų | 141.5 | 94% | 0.942 | 72% | 0.72 | S | S | * | * | | | trans | -70.1 | 60.3 | 167.5 | -88.6 | 160.1 | 0 | 0 | 0 | 110.1 | P183 K187 | P183-L185 PolarHBondContact O-N 3.09Å; L185-K187 PolarHBondContact O-N 2.77Å; L185-K187 VanDerWaalsContact O-N 3.08Å |
| 186 | R | 61.5 | Low | 66.8 | Low | 185 Ų | 185 | 139.3 Ų | 139.3 | 70% | 0.698 | 70% | 0.704 | S | S | * | * | | | trans | -57.7 | 109 | 161.2 | -64.8 | -71.7 | 177.2 | 119.8 | -6 | 105 | M184 | M184-R186 HydrophobicContact CB-CG 3.92Å; M184-R186 PolarHBondContact O-N 2.95Å; M184-R186 PolarHBondContact SD-NE 2.85Å; M184-R186 VanDerWaalsContact SD-NE 3.43Å; M184-R186 PolarHBondContact SD-NH2 3.48Å; M184-R186 VanDerWaalsContact SD-NH2 3.36Å |
| 187 | K | 64.7 | Low | 69 | Low | 194 Ų | 194 | 132.9 Ų | 132.9 | 84% | 0.843 | 68% | 0.684 | S | S | * | * | | | trans | -44.3 | 128.9 | 173.1 | -62.6 | 179.6 | -179.2 | -179.3 | 0 | 107.9 | L185 G189 | L185-K187 PolarHBondContact O-N 2.77Å; L185-K187 VanDerWaalsContact O-N 3.08Å; K187-G189 PolarHBondContact O-N 3.22Å |
| 188 | P | 64.6 | Low | 71.4 | Confident | 125 Ų | 125 | 128.4 Ų | 128.4 | 81% | 0.812 | 66% | 0.66 | S | S | * | * | | | trans | -48.1 | 120.9 | -177.6 | -30.9 | 35.9 | 0 | 0 | 0 | 110.3 | K190 | P188-K190 PolarHBondContact O-N 2.7Š|
| 189 | G | 73.1 | Confident | 73.7 | Confident | 53 Ų | 53 | 124.1 Ų | 124.1 | 55% | 0.546 | 64% | 0.639 | S | S | . | * | | | trans | -57.5 | 131.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | K187 W191 | K187-G189 PolarHBondContact O-N 3.22Å; G189-W191 VanDerWaalsContact C-N 3.29Å; G189-W191 PolarHBondContact O-N 2.84Å |
| 190 | K | 78.1 | Confident | 76.2 | Confident | 208 Ų | 208 | 128.4 Ų | 128.4 | 90% | 0.904 | 65% | 0.651 | S | S | * | * | | | trans | -69 | 91.4 | 173.3 | -71.3 | -170.6 | 176.6 | -173.4 | 0 | 108.4 | P188 C192 | P188-K190 PolarHBondContact O-N 2.7Å; K190-C192 PolarHBondContact O-N 2.69Å |
| 191 | W | 90.1 | Very high | 78 | Confident | 190 Ų | 190 | 127.2 Ų | 127.2 | 72% | 0.72 | 64% | 0.635 | S | S | * | * | | | trans | -60.7 | 115.2 | 171.8 | -65.8 | 87.1 | 0 | 0 | 0 | 108.5 | G189 H195 V196 | G189-W191 VanDerWaalsContact C-N 3.29Å; G189-W191 PolarHBondContact O-N 2.84Å; W191-H195 HydrophobicContact CE3-CB 3.69Å; W191-H195 HydrophobicContact CZ3-CB 4.2Å; W191-V196 HydrophobicContact CB-CG2 4.19Å |
| 192 | C | 88.8 | Confident | 80.2 | Confident | 59 Ų | 59 | 122.6 Ų | 122.6 | 40% | 0.399 | 62% | 0.618 | S | S | . | * | | | trans | -72.8 | 156.7 | 170.1 | 66.2 | 0 | 0 | 0 | 0 | 109.7 | K190 M194 H195 V196 | K190-C192 PolarHBondContact O-N 2.69Å; C192-M194 PolarHBondContact O-N 3Å; C192-M194 VanDerWaalsContact O-N 3.1Å; C192-H195 PolarHBondContact O-N 2.85Å; C192-V196 PolarHBondContact O-N 3.47Å |
| 193 | A | 89.4 | Confident | 82.3 | Confident | 86 Ų | 86 | 120.1 Ų | 120.1 | 71% | 0.711 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -55.9 | -31.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V196 H197 | A193-V196 PolarHBondContact O-N 3.42Å; A193-H197 WeakPolarHBondContact O-CB 3.3Å; A193-H197 PolarHBondContact O-N 3.13Å |
| 194 | M | 95.9 | Very high | 84.4 | Confident | 120 Ų | 120 | 119.1 Ų | 119.1 | 59% | 0.591 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.5 | -42.6 | 175.3 | -172 | 61.1 | 73.3 | 0 | 0 | 112.8 | C192 V196 H197 I198 | C192-M194 PolarHBondContact O-N 3Å; C192-M194 VanDerWaalsContact O-N 3.1Å; M194-V196 VanDerWaalsContact C-N 3.33Å; M194-V196 PolarHBondContact O-N 3.17Å; M194-H197 PolarHBondContact O-N 3.48Å; M194-I198 HydrophobicContact CG-CD1 3.89Å; M194-I198 WeakPolarHBondContact O-CB 3.27Å; M194-I198 VanDerWaalsContact O-CG1 3.3Å; M194-I198 WeakPolarHBondContact O-CG1 3.14Å; M194-I198 PolarHBondContact O-N 3.41Å; M194-I198 HydrophobicContact SD-CD1 4.2Å; M194-I198 HydrophobicContact SD-CG1 4.43Å |
| 195 | H | 95.6 | Very high | 86.7 | Confident | 102 Ų | 102 | 118.8 Ų | 118.8 | 47% | 0.472 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.7 | -35.9 | 176 | -64.2 | 166.7 | 0 | 0 | 0 | 111.9 | W191 C192 A199 | W191-H195 HydrophobicContact CE3-CB 3.69Å; W191-H195 HydrophobicContact CZ3-CB 4.2Å; C192-H195 PolarHBondContact O-N 2.85Å; H195-A199 WeakPolarHBondContact O-CB 3.49Å; H195-A199 PolarHBondContact O-N 3.5Å |
| 196 | V | 95.4 | Very high | 88.6 | Confident | 84 Ų | 84 | 115.8 Ų | 115.8 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.4 | -42.1 | 174.8 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | W191 C192 A193 M194 A199 W200 | W191-V196 HydrophobicContact CB-CG2 4.19Å; C192-V196 PolarHBondContact O-N 3.47Å; A193-V196 PolarHBondContact O-N 3.42Å; M194-V196 VanDerWaalsContact C-N 3.33Å; M194-V196 PolarHBondContact O-N 3.17Å; V196-A199 PolarHBondContact O-N 3.31Å; V196-W200 WeakPolarHBondContact O-CB 3.33Å; V196-W200 PolarHBondContact O-N 3.47Å |
| 197 | H | 95 | Very high | 90 | Very high | 95 Ų | 95 | 110 Ų | 110 | 44% | 0.44 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.7 | -49.3 | 175.6 | -174.6 | 84.1 | 0 | 0 | 0 | 112.1 | A193 M194 A199 W200 Q201 | A193-H197 WeakPolarHBondContact O-CB 3.3Å; A193-H197 PolarHBondContact O-N 3.13Å; M194-H197 PolarHBondContact O-N 3.48Å; H197-A199 PolarHBondContact O-N 3.26Å; H197-W200 PolarHBondContact O-N 3.04Å; H197-Q201 PolarHBondContact NE2-NE2 3.36Å; H197-Q201 WeakPolarHBondContact O-CG 3.23Å; H197-Q201 PolarHBondContact O-N 3.04Å |
| 198 | I | 96.5 | Very high | 91.3 | Very high | 71 Ų | 71 | 107.2 Ų | 107.2 | 36% | 0.364 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.9 | -67.4 | 166.1 | 0 | 0 | 0 | 110.9 | M194 W200 Q201 I202 | M194-I198 HydrophobicContact CG-CD1 3.89Å; M194-I198 WeakPolarHBondContact O-CB 3.27Å; M194-I198 VanDerWaalsContact O-CG1 3.3Å; M194-I198 WeakPolarHBondContact O-CG1 3.14Å; M194-I198 PolarHBondContact O-N 3.41Å; M194-I198 HydrophobicContact SD-CD1 4.2Å; M194-I198 HydrophobicContact SD-CG1 4.43Å; I198-W200 VanDerWaalsContact C-N 3.33Å; I198-W200 PolarHBondContact O-N 3.29Å; I198-Q201 PolarHBondContact O-N 3.11Å; I198-I202 HydrophobicContact CG2-CD1 3.75Å; I198-I202 HydrophobicContact CG2-CG1 4.41Å; I198-I202 WeakPolarHBondContact O-CB 3.26Å; I198-I202 VanDerWaalsContact O-CG1 3.28Å; I198-I202 WeakPolarHBondContact O-CG1 3.32Å; I198-I202 PolarHBondContact O-N 3.22Å |
| 199 | A | 96.9 | Very high | 92.4 | Very high | 51 Ų | 51 | 103.9 Ų | 103.9 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | H195 V196 H197 Y203 | H195-A199 WeakPolarHBondContact O-CB 3.49Å; H195-A199 PolarHBondContact O-N 3.5Å; V196-A199 PolarHBondContact O-N 3.31Å; H197-A199 PolarHBondContact O-N 3.26Å; A199-Y203 VanDerWaalsContact O-CB 3.27Å; A199-Y203 WeakPolarHBondContact O-CB 3.43Å; A199-Y203 PolarHBondContact O-N 3.06Å |
| 200 | W | 97.2 | Very high | 92.9 | Very high | 149 Ų | 149 | 107.2 Ų | 107.2 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.7 | -43.5 | 174 | 178.4 | 88.8 | 0 | 0 | 0 | 112.2 | V196 H197 I198 I202 Y203 H204 | V196-W200 WeakPolarHBondContact O-CB 3.33Å; V196-W200 PolarHBondContact O-N 3.47Å; H197-W200 PolarHBondContact O-N 3.04Å; I198-W200 VanDerWaalsContact C-N 3.33Å; I198-W200 PolarHBondContact O-N 3.29Å; W200-I202 PolarHBondContact O-N 2.97Å; W200-Y203 PolarHBondContact O-N 3Å; W200-H204 HydrophobicContact CZ2-CB 4.43Å; W200-H204 VanDerWaalsContact O-CB 3.24Å; W200-H204 WeakPolarHBondContact O-CB 3.49Å; W200-H204 PolarHBondContact O-N 2.7Å |
| 201 | Q | 97.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 104.4 Ų | 104.4 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.7 | -46.7 | 175.6 | -75 | 178.3 | -39.3 | 0 | 0 | 111.6 | H197 I198 H204 H205 | H197-Q201 PolarHBondContact NE2-NE2 3.36Å; H197-Q201 WeakPolarHBondContact O-CG 3.23Å; H197-Q201 PolarHBondContact O-N 3.04Å; I198-Q201 PolarHBondContact O-N 3.11Å; Q201-H204 PolarHBondContact O-N 2.81Å; Q201-H205 VanDerWaalsContact O-CB 3.27Å; Q201-H205 WeakPolarHBondContact O-CB 3.25Å; Q201-H205 PolarHBondContact O-N 2.89Å |
| 202 | I | 96.9 | Very high | 92 | Very high | 89 Ų | 89 | 99.4 Ų | 99.4 | 46% | 0.456 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 177.2 | -68.5 | 168.3 | 0 | 0 | 0 | 110.5 | I198 W200 H205 Q206 | I198-I202 HydrophobicContact CG2-CD1 3.75Å; I198-I202 HydrophobicContact CG2-CG1 4.41Å; I198-I202 WeakPolarHBondContact O-CB 3.26Å; I198-I202 VanDerWaalsContact O-CG1 3.28Å; I198-I202 WeakPolarHBondContact O-CG1 3.32Å; I198-I202 PolarHBondContact O-N 3.22Å; W200-I202 PolarHBondContact O-N 2.97Å; I202-H205 PolarHBondContact O-N 3.37Å; I202-Q206 WeakPolarHBondContact O-CB 3.5Å; I202-Q206 VanDerWaalsContact O-CG 3.32Å; I202-Q206 WeakPolarHBondContact O-CG 3.28Å; I202-Q206 PolarHBondContact O-N 2.88Å |
| 203 | Y | 96.8 | Very high | 90.9 | Very high | 135 Ų | 135 | 104 Ų | 104 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 177.1 | 174.1 | -96.1 | 0 | 0 | 0 | 111.8 | A199 W200 H205 Q206 Q207 | A199-Y203 VanDerWaalsContact O-CB 3.27Å; A199-Y203 WeakPolarHBondContact O-CB 3.43Å; A199-Y203 PolarHBondContact O-N 3.06Å; W200-Y203 PolarHBondContact O-N 3Å; Y203-H205 VanDerWaalsContact C-N 3.35Å; Y203-H205 PolarHBondContact O-N 2.85Å; Y203-Q206 PolarHBondContact O-N 3.49Å; Y203-Q207 HydrophobicContact CD1-CG 4.12Å; Y203-Q207 HydrophobicContact CD2-CG 4.49Å; Y203-Q207 HydrophobicContact CE1-CG 3.68Å; Y203-Q207 HydrophobicContact CE2-CG 4.1Å; Y203-Q207 WeakPolarHBondContact O-CG 3.47Å; Y203-Q207 PolarHBondContact O-N 3.11Å; Y203-Q207 PolarHBondContact OH-NE2 3.33Å |
| 204 | H | 96.2 | Very high | 89.4 | Confident | 100 Ų | 100 | 106.8 Ų | 106.8 | 46% | 0.463 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -37.9 | -179.9 | -171.9 | -103.1 | 0 | 0 | 0 | 111.9 | W200 Q201 Q207 K208 | W200-H204 HydrophobicContact CZ2-CB 4.43Å; W200-H204 VanDerWaalsContact O-CB 3.24Å; W200-H204 WeakPolarHBondContact O-CB 3.49Å; W200-H204 PolarHBondContact O-N 2.7Å; Q201-H204 PolarHBondContact O-N 2.81Å; H204-Q207 PolarHBondContact O-N 2.88Å; H204-K208 WeakPolarHBondContact O-CB 3.32Å; H204-K208 PolarHBondContact O-N 3.48Å |
| 205 | H | 95.6 | Very high | 87.4 | Confident | 124 Ų | 124 | 104.1 Ų | 104.1 | 57% | 0.574 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.8 | -46.6 | 171.3 | -175.8 | 90.8 | 0 | 0 | 0 | 111.5 | Q201 I202 Y203 Q207 K208 V209 | Q201-H205 VanDerWaalsContact O-CB 3.27Å; Q201-H205 WeakPolarHBondContact O-CB 3.25Å; Q201-H205 PolarHBondContact O-N 2.89Å; I202-H205 PolarHBondContact O-N 3.37Å; Y203-H205 VanDerWaalsContact C-N 3.35Å; Y203-H205 PolarHBondContact O-N 2.85Å; H205-Q207 VanDerWaalsContact C-N 3.33Å; H205-Q207 PolarHBondContact O-N 3.17Å; H205-K208 PolarHBondContact O-N 3.09Å; H205-K208 VanDerWaalsContact O-N 3.17Å; H205-V209 WeakPolarHBondContact O-CG2 3.18Å; H205-V209 PolarHBondContact O-N 3.09Å |
| 206 | Q | 95.1 | Very high | 84.8 | Confident | 117 Ų | 117 | 102.2 Ų | 102.2 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -38.5 | 175.1 | -73.2 | 177.2 | 14.9 | 0 | 0 | 112.3 | I202 Y203 K210 | I202-Q206 WeakPolarHBondContact O-CB 3.5Å; I202-Q206 VanDerWaalsContact O-CG 3.32Å; I202-Q206 WeakPolarHBondContact O-CG 3.28Å; I202-Q206 PolarHBondContact O-N 2.88Å; Y203-Q206 PolarHBondContact O-N 3.49Å; Q206-K210 WeakPolarHBondContact O-CB 3.36Å; Q206-K210 PolarHBondContact O-N 3.07Å |
| 207 | Q | 91.5 | Very high | 82.9 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 29% | 0.29 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.5 | -39.5 | 173.5 | -68.9 | -57.9 | -29.9 | 0 | 0 | 111.9 | Y203 H204 H205 K211 | Y203-Q207 HydrophobicContact CD1-CG 4.12Å; Y203-Q207 HydrophobicContact CD2-CG 4.49Å; Y203-Q207 HydrophobicContact CE1-CG 3.68Å; Y203-Q207 HydrophobicContact CE2-CG 4.1Å; Y203-Q207 WeakPolarHBondContact O-CG 3.47Å; Y203-Q207 PolarHBondContact O-N 3.11Å; Y203-Q207 PolarHBondContact OH-NE2 3.33Å; H204-Q207 PolarHBondContact O-N 2.88Å; H205-Q207 VanDerWaalsContact C-N 3.33Å; H205-Q207 PolarHBondContact O-N 3.17Å; Q207-K211 VanDerWaalsContact O-CB 3.28Å; Q207-K211 WeakPolarHBondContact O-CB 3.46Å; Q207-K211 VanDerWaalsContact O-CG 3.25Å; Q207-K211 WeakPolarHBondContact O-CG 3.41Å; Q207-K211 PolarHBondContact O-N 3.38Å |
| 208 | K | 90.8 | Very high | 80.9 | Confident | 136 Ų | 136 | 106.7 Ų | 106.7 | 59% | 0.591 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.1 | -48.6 | 175 | -173.4 | 176.9 | 179.2 | 179.9 | 0 | 111.4 | H204 H205 K211 Q212 | H204-K208 WeakPolarHBondContact O-CB 3.32Å; H204-K208 PolarHBondContact O-N 3.48Å; H205-K208 PolarHBondContact O-N 3.09Å; H205-K208 VanDerWaalsContact O-N 3.17Å; K208-K211 PolarHBondContact O-N 3.46Å; K208-Q212 WeakPolarHBondContact O-CB 3.42Å; K208-Q212 PolarHBondContact O-N 3.17Å |
| 209 | V | 87.8 | Confident | 78.5 | Confident | 56 Ų | 56 | 111.3 Ų | 111.3 | 34% | 0.339 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 177.1 | 172.9 | 0 | 0 | 0 | 0 | 111 | H205 K211 Q212 M213 | H205-V209 WeakPolarHBondContact O-CG2 3.18Å; H205-V209 PolarHBondContact O-N 3.09Å; V209-K211 PolarHBondContact O-N 2.88Å; V209-Q212 PolarHBondContact O-N 3.45Å; V209-M213 HydrophobicContact CG1-CG 4.36Å; V209-M213 HydrophobicContact CG1-SD 4.14Å; V209-M213 WeakPolarHBondContact O-CB 3.4Å; V209-M213 WeakPolarHBondContact O-CG 3.31Å; V209-M213 PolarHBondContact O-N 2.82Å |
| 210 | K | 83.7 | Confident | 76.2 | Confident | 123 Ų | 123 | 113.2 Ų | 113.2 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.5 | -45 | 176.5 | -174.4 | -179.2 | 177.9 | -175.7 | 0 | 111.5 | Q206 Q212 M213 Q214 | Q206-K210 WeakPolarHBondContact O-CB 3.36Å; Q206-K210 PolarHBondContact O-N 3.07Å; K210-Q212 VanDerWaalsContact C-N 3.34Å; K210-Q212 PolarHBondContact O-N 3.43Å; K210-M213 PolarHBondContact O-N 3.19Å; K210-Q214 VanDerWaalsContact CE-OE1 3.32Å; K210-Q214 WeakPolarHBondContact O-CB 3.33Å; K210-Q214 PolarHBondContact O-N 3.39Å |
| 211 | K | 79.3 | Confident | 73.8 | Confident | 149 Ų | 149 | 113.2 Ų | 113.2 | 65% | 0.648 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 175 | -76.6 | 178.8 | 178.3 | -173 | 0 | 111.3 | Q207 K208 V209 Q214 S215 | Q207-K211 VanDerWaalsContact O-CB 3.28Å; Q207-K211 WeakPolarHBondContact O-CB 3.46Å; Q207-K211 VanDerWaalsContact O-CG 3.25Å; Q207-K211 WeakPolarHBondContact O-CG 3.41Å; Q207-K211 PolarHBondContact O-N 3.38Å; K208-K211 PolarHBondContact O-N 3.46Å; V209-K211 PolarHBondContact O-N 2.88Å; K211-Q214 PolarHBondContact O-N 2.86Å; K211-S215 VanDerWaalsContact O-CB 3.27Å; K211-S215 WeakPolarHBondContact O-CB 3.28Å; K211-S215 PolarHBondContact O-N 3.38Å; K211-S215 PolarHBondContact O-OG 3.42Å; K211-S215 VanDerWaalsContact O-OG 3.04Å |
| 212 | Q | 70.4 | Confident | 71.6 | Confident | 84 Ų | 84 | 115.3 Ų | 115.3 | 39% | 0.393 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -68.8 | -31 | 178.6 | -174.6 | 175.9 | -14.1 | 0 | 0 | 113.8 | K208 V209 K210 S215 | K208-Q212 WeakPolarHBondContact O-CB 3.42Å; K208-Q212 PolarHBondContact O-N 3.17Å; V209-Q212 PolarHBondContact O-N 3.45Å; K210-Q212 VanDerWaalsContact C-N 3.34Å; K210-Q212 PolarHBondContact O-N 3.43Å; Q212-S215 WeakPolarHBondContact CA-OG 3.35Å; Q212-S215 PolarHBondContact O-OG 3.21Å; Q212-S215 VanDerWaalsContact O-OG 3.11Å |
| 213 | M | 65.9 | Low | 69.5 | Low | 157 Ų | 157 | 114.3 Ų | 114.3 | 77% | 0.773 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -85.6 | -17.7 | 174.5 | -67.5 | -168.8 | 77.2 | 0 | 0 | 113.5 | V209 K210 | V209-M213 HydrophobicContact CG1-CG 4.36Å; V209-M213 HydrophobicContact CG1-SD 4.14Å; V209-M213 WeakPolarHBondContact O-CB 3.4Å; V209-M213 WeakPolarHBondContact O-CG 3.31Å; V209-M213 PolarHBondContact O-N 2.82Å; K210-M213 PolarHBondContact O-N 3.19Å |
| 214 | Q | 58.9 | Low | 67.1 | Low | 144 Ų | 144 | 115.2 Ų | 115.2 | 67% | 0.673 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -100 | -14 | 177.3 | -165.7 | 166.8 | -2.1 | 0 | 0 | 112.5 | K210 K211 D216 | K210-Q214 VanDerWaalsContact CE-OE1 3.32Å; K210-Q214 WeakPolarHBondContact O-CB 3.33Å; K210-Q214 PolarHBondContact O-N 3.39Å; K211-Q214 PolarHBondContact O-N 2.86Å; Q214-D216 PolarHBondContact O-N 2.82Å |
| 215 | S | 52.6 | Low | 64.3 | Low | 64 Ų | 64 | 118.5 Ų | 118.5 | 45% | 0.448 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -78.4 | 92.6 | 166.2 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | K211 Q212 | K211-S215 VanDerWaalsContact O-CB 3.27Å; K211-S215 WeakPolarHBondContact O-CB 3.28Å; K211-S215 PolarHBondContact O-N 3.38Å; K211-S215 PolarHBondContact O-OG 3.42Å; K211-S215 VanDerWaalsContact O-OG 3.04Å; Q212-S215 WeakPolarHBondContact CA-OG 3.35Å; Q212-S215 PolarHBondContact O-OG 3.21Å; Q212-S215 VanDerWaalsContact O-OG 3.11Å |
| 216 | D | 41.8 | Very low | 61.9 | Low | 61 Ų | 61 | 117 Ų | 117 | 33% | 0.326 | 59% | 0.594 | S | S | . | * | | | trans | 37.2 | 97.1 | 165.8 | -169 | 6.2 | 0 | 0 | 0 | 117 | Q214 H218 K219 | Q214-D216 PolarHBondContact O-N 2.82Å; D216-H218 PolarHBondContact O-N 3.45Å; D216-H218 WeakPolarHBondContact OD1-CA 3.47Å; D216-H218 VanDerWaalsContact OD1-CB 3.31Å; D216-H218 WeakPolarHBondContact OD1-CB 3.24Å; D216-H218 IonicContact OD1-CD2 2.92Å; D216-H218 PolarHBondContact OD1-CD2 3Å; D216-H218 IonicContact OD1-CG 2.93Å; D216-H218 PolarHBondContact OD1-N 3.36Å; D216-K219 HydrophobicContact CB-CB 4.31Å; D216-K219 PolarHBondContact O-N 2.87Å; D216-K219 VanDerWaalsContact O-N 3.09Å; D216-K219 WeakPolarHBondContact OD2-CD 3.27Å; D216-K219 WeakPolarHBondContact OD2-CE 3.27Å; D216-K219 WeakPolarHBondContact OD2-CG 3.37Å |
| 217 | P | 55.7 | Low | 59.6 | Low | 106 Ų | 106 | 117.7 Ų | 117.7 | 69% | 0.688 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -4.4 | 174.4 | 28.5 | -35.1 | 0 | 0 | 0 | 114.3 | | |
| 218 | H | 52.4 | Low | 57.4 | Low | 168 Ų | 168 | 123.9 Ų | 123.9 | 78% | 0.778 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.4 | 4.5 | 175.8 | -54.1 | -75.3 | 0 | 0 | 0 | 114.4 | D216 | D216-H218 PolarHBondContact O-N 3.45Å; D216-H218 WeakPolarHBondContact OD1-CA 3.47Å; D216-H218 VanDerWaalsContact OD1-CB 3.31Å; D216-H218 WeakPolarHBondContact OD1-CB 3.24Å; D216-H218 IonicContact OD1-CD2 2.92Å; D216-H218 PolarHBondContact OD1-CD2 3Å; D216-H218 IonicContact OD1-CG 2.93Å; D216-H218 PolarHBondContact OD1-N 3.36Å |
| 219 | K | 46.1 | Very low | 55.3 | Low | 167 Ų | 167 | 125.4 Ų | 125.4 | 73% | 0.726 | 64% | 0.637 | S | S | * | * | | | trans | -126.6 | 11.3 | -179.8 | -77.6 | -177.6 | -166.9 | -58.9 | 0 | 116.6 | D216 D221 | D216-K219 HydrophobicContact CB-CB 4.31Å; D216-K219 PolarHBondContact O-N 2.87Å; D216-K219 VanDerWaalsContact O-N 3.09Å; D216-K219 WeakPolarHBondContact OD2-CD 3.27Å; D216-K219 WeakPolarHBondContact OD2-CE 3.27Å; D216-K219 WeakPolarHBondContact OD2-CG 3.37Å; K219-D221 PolarHBondContact O-N 3.05Å |
| 220 | L | 48.2 | Very low | 53 | Low | 92 Ų | 92 | 127.2 Ų | 127.2 | 48% | 0.482 | 65% | 0.652 | S | S | . | * | | | trans | -81 | 67.8 | 169.4 | -72.9 | 178.8 | 0 | 0 | 0 | 112.3 | F222 | L220-F222 HydrophobicContact CB-CD2 4.31Å; L220-F222 HydrophobicContact CB-CE2 4.44Å; L220-F222 HydrophobicContact CD1-CE2 4.25Å; L220-F222 HydrophobicContact CD2-CD2 4.37Å; L220-F222 HydrophobicContact CD2-CE2 3.78Å; L220-F222 HydrophobicContact CD2-CZ 4.18Å; L220-F222 HydrophobicContact CG-CE2 4.39Å; L220-F222 PolarHBondContact O-N 3.19Å |
| 221 | D | 47.8 | Very low | 50.7 | Low | 149 Ų | 149 | 132.1 Ų | 132.1 | 80% | 0.797 | 67% | 0.668 | S | S | * | * | | | trans | -72.7 | 77 | 158.4 | -176.1 | 17.2 | 0 | 0 | 0 | 109.6 | K219 G223 | K219-D221 PolarHBondContact O-N 3.05Å; D221-G223 PolarHBondContact O-N 3.4Å |
| 222 | F | 49.4 | Very low | 48.8 | Very low | 139 Ų | 139 | 130.2 Ų | 130.2 | 61% | 0.61 | 67% | 0.671 | S | S | * | * | | | trans | -74.6 | 103.4 | 156.9 | -76.2 | -64.6 | 0 | 0 | 0 | 107.2 | L220 L224 | L220-F222 HydrophobicContact CB-CD2 4.31Å; L220-F222 HydrophobicContact CB-CE2 4.44Å; L220-F222 HydrophobicContact CD1-CE2 4.25Å; L220-F222 HydrophobicContact CD2-CD2 4.37Å; L220-F222 HydrophobicContact CD2-CE2 3.78Å; L220-F222 HydrophobicContact CD2-CZ 4.18Å; L220-F222 HydrophobicContact CG-CE2 4.39Å; L220-F222 PolarHBondContact O-N 3.19Å; F222-L224 PolarHBondContact O-N 3.44Å |
| 223 | G | 52.9 | Low | 47.6 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | | | trans | -65.2 | 51 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | D221 | D221-G223 PolarHBondContact O-N 3.4Š|
| 224 | L | 47.3 | Very low | 46 | Very low | 155 Ų | 155 | 128.3 Ų | 128.3 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | | | trans | -105.5 | 94.1 | 166.4 | -65.1 | 178.5 | 0 | 0 | 0 | 107.7 | F222 | F222-L224 PolarHBondContact O-N 3.44Š|
| 225 | K | 36.3 | Very low | 45.3 | Very low | 168 Ų | 168 | 127.5 Ų | 127.5 | 73% | 0.73 | 70% | 0.696 | S | S | * | * | | | trans | -55.3 | 125.6 | 179.6 | -71.6 | -173.8 | 174.4 | -176.7 | 0 | 110.5 | E227 | K225-E227 PolarHBondContact O-N 3.29Š|
| 226 | P | 46.7 | Very low | 44.8 | Very low | 93 Ų | 93 | 129.4 Ų | 129.4 | 60% | 0.604 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -61.5 | -18.7 | -178 | -24.4 | 34 | 0 | 0 | 0 | 115 | F228 L229 | P226-F228 VanDerWaalsContact C-N 3.29Å; P226-F228 PolarHBondContact O-N 3.49Å; P226-L229 PolarHBondContact O-N 2.86Å |
| 227 | E | 45.9 | Very low | 44.6 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 61% | 0.612 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -70.8 | -16.4 | -163.5 | -44.1 | -38.3 | 128 | 0 | 0 | 115.3 | K225 L229 | K225-E227 PolarHBondContact O-N 3.29Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 3.36Å |
| 228 | F | 46.1 | Very low | 43.7 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -77.7 | -7.3 | -179 | -82.3 | -77.6 | 0 | 0 | 0 | 114.9 | P226 | P226-F228 VanDerWaalsContact C-N 3.29Å; P226-F228 PolarHBondContact O-N 3.49Å |
| 229 | L | 47 | Very low | 42.7 | Very low | 167 Ų | 167 | 133 Ų | 133 | 87% | 0.874 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -102.3 | -0.6 | 178.6 | -64.5 | 177.9 | 0 | 0 | 0 | 114.1 | P226 E227 | P226-L229 PolarHBondContact O-N 2.86Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 3.36Å |
| 230 | S | 39.1 | Very low | 42 | Very low | 94 Ų | 94 | 129.5 Ų | 129.5 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -107.4 | 10.9 | -164.3 | -60.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 231 | R | 36.1 | Very low | 41.3 | Very low | 227 Ų | 227 | 131.7 Ų | 131.7 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | | | trans | -135.6 | 121.1 | -179.7 | -166.1 | 169.6 | -173.6 | 164.6 | 2 | 113.2 | | |
| 232 | P | 38.4 | Very low | 40.6 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | | | trans | -75.5 | 147.4 | 173.1 | 31.7 | -34.3 | 0 | 0 | 0 | 111.4 | G234 | P232-G234 PolarHBondContact O-N 2.79Š|
| 233 | P | 45.2 | Very low | 39.8 | Very low | 136 Ų | 136 | 132.4 Ų | 132.4 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | trans | -75.6 | 103.7 | 176.4 | 29.6 | -33 | 0 | 0 | 0 | 111.3 | | |
| 234 | G | 32 | Very low | 39.1 | Very low | 65 Ų | 65 | 135.4 Ų | 135.4 | 67% | 0.67 | 76% | 0.755 | S | S | * | * | | | trans | -82.7 | 157.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P232 | P232-G234 PolarHBondContact O-N 2.79Š|
| 235 | P | 44.4 | Very low | 38.7 | Very low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | | | trans | -91.4 | 134.8 | -162.2 | 33.6 | -35.3 | 0 | 0 | 0 | 115.8 | | |
| 236 | S | 42.6 | Very low | 38.3 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | trans | 62.8 | 139.9 | 148 | -157.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 237 | L | 38.1 | Very low | 38.2 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 73% | 0.728 | 74% | 0.744 | S | S | * | * | | | | 166.8 | 113.1 | 111.8 | -86.9 | 166.4 | 0 | 0 | 0 | 112.1 | | |
| 238 | F | 35.4 | Very low | 37.7 | Very low | 205 Ų | 205 | 130.9 Ų | 130.9 | 90% | 0.899 | 74% | 0.744 | S | S | * | * | | | trans | 59 | 147.6 | 166.9 | -62.3 | -78.2 | 0 | 0 | 0 | 118.8 | | |
| 239 | G | 31.2 | Very low | 37.2 | Very low | 67 Ų | 67 | 130.9 Ų | 130.9 | 69% | 0.691 | 74% | 0.738 | S | S | * | * | | | cis | -158.1 | 167.6 | 1.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 240 | A | 32.7 | Very low | 36.6 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 78% | 0.777 | 74% | 0.74 | S | S | * | * | | | trans | -65.7 | 173.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 241 | I | 33.6 | Very low | 36.4 | Very low | 138 Ų | 138 | 128.6 Ų | 128.6 | 71% | 0.708 | 73% | 0.733 | S | S | * | * | | | cis | -148.6 | 167.6 | 23.1 | 10.5 | 172.9 | 0 | 0 | 0 | 108.3 | | |
| 242 | H | 31.2 | Very low | 36.5 | Very low | 155 Ų | 155 | 124.3 Ų | 124.3 | 72% | 0.718 | 73% | 0.732 | S | S | * | * | | | cis | -132.9 | 175.7 | 11.8 | -85.6 | -82.3 | 0 | 0 | 0 | 111.6 | | |
| 243 | H | 33.4 | Very low | 36.3 | Very low | 148 Ų | 148 | 126.7 Ų | 126.7 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | | | trans | -135.2 | 145.2 | 162.5 | -48.5 | -40.5 | 0 | 0 | 0 | 110.6 | H245 | H243-H245 VanDerWaalsContact C-N 3.28Å; H243-H245 AromaticContact CD2-CD2 3.61Å; H243-H245 AromaticContact CD2-NE2 3.88Å; H243-H245 AromaticContact CG-CD2 3.96Å; H243-H245 PolarHBondContact O-N 2.88Å |
| 244 | P | 38.3 | Very low | 35.7 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 74% | 0.737 | S | S | * | * | | | trans | -75.9 | 87.1 | 142.1 | 31.7 | -28 | 0 | 0 | 0 | 108.9 | D246 | P244-D246 PolarHBondContact O-N 3.41Š|
| 245 | H | 39 | Very low | 35.3 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 57% | 0.574 | 75% | 0.748 | S | S | * | * | | | trans | -27.3 | 99.8 | 143.8 | -47.3 | -74.2 | 0 | 0 | 0 | 115.5 | H243 L247 | H243-H245 VanDerWaalsContact C-N 3.28Å; H243-H245 AromaticContact CD2-CD2 3.61Å; H243-H245 AromaticContact CD2-NE2 3.88Å; H243-H245 AromaticContact CG-CD2 3.96Å; H243-H245 PolarHBondContact O-N 2.88Å; H245-L247 HydrophobicContact CB-CD1 4.35Å |
| 246 | D | 28.9 | Very low | 34.6 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 78% | 0.781 | 74% | 0.743 | S | S | * | * | | | | -135.6 | 149.3 | 120.3 | -145.8 | -3.1 | 0 | 0 | 0 | 112.1 | P244 | P244-D246 PolarHBondContact O-N 3.41Š|
| 247 | L | 44.3 | Very low | 34 | Very low | 107 Ų | 107 | 130.9 Ų | 130.9 | 56% | 0.56 | 75% | 0.751 | S | S | * | * | | | trans | -150.8 | 168.1 | -169.8 | -86.7 | 165 | 0 | 0 | 0 | 106.1 | H245 | H245-L247 HydrophobicContact CB-CD1 4.35Š|
| 248 | A | 33.8 | Very low | 33.6 | Very low | 75 Ų | 75 | 128.2 Ų | 128.2 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | | | cis | -162.9 | 160.4 | 33.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 249 | R | 35.9 | Very low | 33.4 | Very low | 192 Ų | 192 | 123.1 Ų | 123.1 | 73% | 0.725 | 75% | 0.753 | S | S | * | * | | | | 22.9 | 149.2 | 124 | -51.9 | 173.9 | 179.3 | 173.3 | 0.1 | 118.7 | | |
| 250 | P | 35.1 | Very low | 33.3 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | | | | -103 | 125.3 | 121.7 | 31.5 | -31.3 | 0 | 0 | 0 | 110.9 | | |
| 251 | S | 35.3 | Very low | 33.3 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 51% | 0.51 | 76% | 0.759 | S | S | . | * | | | trans | -126.5 | 122.6 | 163.5 | 53.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 252 | T | 38.4 | Very low | 33.5 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | | | trans | 49.3 | 107.8 | 162.3 | 55.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 253 | L | 34.1 | Very low | 33.5 | Very low | 159 Ų | 159 | 126.1 Ų | 126.1 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -64.4 | 149.5 | 164 | -68.7 | 170.9 | 0 | 0 | 0 | 111.2 | | |
| 254 | F | 31.6 | Very low | 33.3 | Very low | 196 Ų | 196 | 123 Ų | 123 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | trans | 63.6 | 87.2 | 173.1 | -62.6 | -76.3 | 0 | 0 | 0 | 118.1 | | |
| 255 | S | 24.7 | Very low | 32.9 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 90% | 0.895 | 77% | 0.773 | S | S | * | * | | | | -132.5 | 144.9 | 121.4 | -169.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 256 | A | 28.6 | Very low | 33.6 | Very low | 87 Ų | 87 | 122.3 Ų | 122.3 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | -107.7 | 142.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 257 | A | 30.9 | Very low | 33.7 | Very low | 109 Ų | 109 | 125.2 Ų | 125.2 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | | | trans | 44.2 | 109.9 | 157.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 258 | G | 29.1 | Very low | 33.1 | Very low | 82 Ų | 82 | 123.5 Ų | 123.5 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | | | trans | -141 | 116.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 259 | A | 31.6 | Very low | 33.5 | Very low | 99 Ų | 99 | 126.2 Ų | 126.2 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -81.5 | 156.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 260 | A | 28.6 | Very low | 33.9 | Very low | 93 Ų | 93 | 122.5 Ų | 122.5 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -89.1 | 128.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 261 | H | 32.3 | Very low | 34.5 | Very low | 179 Ų | 179 | 120.2 Ų | 120.2 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | | | trans | -141.3 | 149.2 | 161.6 | -73.2 | -64.7 | 0 | 0 | 0 | 110.4 | | |
| 262 | P | 39.3 | Very low | 34.8 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 68% | 0.682 | 80% | 0.803 | S | S | * | * | | | trans | -96.9 | 162.4 | -170.6 | 37.9 | -36.6 | 0 | 0 | 0 | 114.8 | | |
| 263 | T | 29.6 | Very low | 34.5 | Very low | 140 Ų | 140 | 128 Ų | 128 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | | | trans | 50.4 | 111.8 | 151.7 | 52.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 264 | G | 28.9 | Very low | 34.5 | Very low | 83 Ų | 83 | 124.7 Ų | 124.7 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | | | trans | 176.5 | 112.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 265 | T | 31.2 | Very low | 34.8 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | | | trans | -111.2 | 172.4 | 164.2 | 54.4 | 0 | 0 | 0 | 0 | 109.2 | | |
| 266 | P | 52.7 | Low | 35.2 | Very low | 101 Ų | 101 | 123.7 Ų | 123.7 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | | | cis | -132 | -163 | -12.8 | 19.4 | 8.1 | 0 | 0 | 0 | 112.5 | | |
| 267 | F | 32.5 | Very low | 35.5 | Very low | 207 Ų | 207 | 127.5 Ų | 127.5 | 91% | 0.908 | 79% | 0.789 | S | S | * | * | | | trans | 69.6 | 145.1 | 161.1 | -75.5 | -81.2 | 0 | 0 | 0 | 121.3 | | |
| 268 | G | 30.8 | Very low | 35.5 | Very low | 70 Ų | 70 | 129.2 Ų | 129.2 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | | | trans | 111.7 | 135.7 | 143.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 269 | P | 41.8 | Very low | 36.7 | Very low | 132 Ų | 132 | 130.9 Ų | 130.9 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | trans | -109.9 | -148.7 | 176 | 47.7 | -37.9 | 0 | 0 | 0 | 111.5 | | |
| 270 | P | 44.8 | Very low | 36.8 | Very low | 114 Ų | 114 | 130.6 Ų | 130.6 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | | | trans | -119.7 | -152 | -135.7 | 36.7 | -12.2 | 0 | 0 | 0 | 112.6 | | |
| 271 | P | 47.5 | Very low | 37.1 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | | | cis | -125.6 | -173.6 | -39.4 | 19.8 | 4.6 | 0 | 0 | 0 | 113.5 | | |
| 272 | H | 41.1 | Very low | 37.3 | Very low | 179 Ų | 179 | 130.6 Ų | 130.6 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | 70.2 | 144.2 | 160.7 | -55.2 | -70.8 | 0 | 0 | 0 | 121.2 | | |
| 273 | H | 33.8 | Very low | 37.1 | Very low | 193 Ų | 193 | 132.1 Ų | 132.1 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | | | trans | -169.9 | 177 | 136.4 | 54.2 | -87.6 | 0 | 0 | 0 | 110.1 | | |
| 274 | S | 32.5 | Very low | 37.5 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | | | trans | -154.5 | 172.9 | -172.3 | 65.9 | 0 | 0 | 0 | 0 | 114 | | |
| 275 | N | 38.2 | Very low | 38.9 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | | | trans | 99.5 | 145.9 | 153.9 | -54.1 | -16.7 | 0 | 0 | 0 | 121.9 | | |
| 276 | F | 33.5 | Very low | 39 | Very low | 179 Ų | 179 | 135.4 Ų | 135.4 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | 98.6 | 105.7 | 137.6 | -72.2 | -43.6 | 0 | 0 | 0 | 124.2 | | |
| 277 | L | 35.1 | Very low | 38.1 | Very low | 168 Ų | 168 | 136 Ų | 136 | 88% | 0.88 | 76% | 0.756 | S | S | * | * | | | trans | 109 | 163.4 | 130 | -67.8 | 171.3 | 0 | 0 | 0 | 121.4 | | |
| 278 | N | 30.9 | Very low | 38.5 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 77% | 0.77 | 75% | 0.754 | S | S | * | * | | | trans | -131.3 | -167.8 | -151.6 | -143.9 | 13.7 | 0 | 0 | 0 | 109.1 | | |
| 279 | P | 53.9 | Low | 39.2 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 76% | 0.76 | 75% | 0.752 | S | S | * | * | | | cis | -120 | -164.1 | 14.8 | 39.7 | -18.3 | 0 | 0 | 0 | 112.8 | | |
| 280 | A | 33.3 | Very low | 38.9 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | | | cis | -150.8 | -164 | 14.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 281 | A | 35.6 | Very low | 38.4 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 87% | 0.868 | 75% | 0.749 | S | S | * | * | | | trans | -150.6 | 169 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 282 | H | 35.5 | Very low | 37.9 | Very low | 166 Ų | 166 | 142.6 Ų | 142.6 | 77% | 0.769 | 76% | 0.76 | S | S | * | * | | | trans | -134.3 | 100.1 | 178.1 | -178.8 | -73.7 | 0 | 0 | 0 | 113.9 | | |
| 283 | L | 35.8 | Very low | 37.7 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 72% | 0.723 | 75% | 0.753 | S | S | * | * | | | trans | 47.1 | 116.7 | 147.1 | -52.3 | 179.5 | 0 | 0 | 0 | 123.5 | | |
| 284 | E | 37.2 | Very low | 37.8 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | | | | 68.8 | 159.9 | 129.9 | -66.5 | -66.7 | 93.4 | 0 | 0 | 121.9 | | |
| 285 | P | 59.3 | Low | 38.2 | Very low | 82 Ų | 82 | 137.2 Ų | 137.2 | 53% | 0.532 | 76% | 0.757 | S | S | . | * | | | | -141.9 | 162.6 | -61.9 | 37.6 | -19 | 0 | 0 | 0 | 116.8 | | |
| 286 | F | 34.2 | Very low | 38 | Very low | 183 Ų | 183 | 136.3 Ų | 136.3 | 80% | 0.803 | 77% | 0.766 | S | S | * | * | | | | 157.4 | 122.6 | 128.4 | -94.6 | -68.1 | 0 | 0 | 0 | 118.9 | | |
| 287 | N | 32 | Very low | 38.2 | Very low | 112 Ų | 112 | 132 Ų | 132 | 60% | 0.599 | 76% | 0.764 | S | S | * | * | | | trans | 48.7 | 109.1 | 144.6 | -84.4 | -29.7 | 0 | 0 | 0 | 126.6 | | |
| 288 | R | 42.4 | Very low | 38.5 | Very low | 226 Ų | 226 | 130.9 Ų | 130.9 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | | | | 68.6 | 164.3 | 120 | -67.4 | 180 | -167.2 | -128.6 | -0.3 | 122.4 | | |
| 289 | P | 44.5 | Very low | 38.7 | Very low | 105 Ų | 105 | 127.6 Ų | 127.6 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | cis | -146.2 | 171.8 | -45.4 | 43.1 | -26.1 | 0 | 0 | 0 | 117.4 | | |
| 290 | S | 35.2 | Very low | 37.7 | Very low | 109 Ų | 109 | 125.4 Ų | 125.4 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | 65.8 | 160.8 | 145.3 | -70.2 | 0 | 0 | 0 | 0 | 121.6 | | |
| 291 | T | 34.2 | Very low | 37.9 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | cis | -162.6 | 148.4 | -2.2 | 10.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 292 | F | 38.8 | Very low | 37.9 | Very low | 188 Ų | 188 | 127.6 Ų | 127.6 | 83% | 0.825 | 76% | 0.757 | S | S | * | * | | | trans | 58.8 | 120.8 | 133.7 | -137.4 | -115.9 | 0 | 0 | 0 | 125.9 | | |
| 293 | T | 36.6 | Very low | 38.1 | Very low | 110 Ų | 110 | 129.8 Ų | 129.8 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | | | trans | 38.7 | 139.2 | 130.9 | -42.5 | 0 | 0 | 0 | 0 | 124.7 | | |
| 294 | G | 34.4 | Very low | 38.2 | Very low | 72 Ų | 72 | 126.6 Ų | 126.6 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | trans | -166.6 | 136.9 | 154.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 295 | L | 41.6 | Very low | 38 | Very low | 168 Ų | 168 | 122.6 Ų | 122.6 | 88% | 0.88 | 77% | 0.768 | S | S | * | * | | | trans | -138.5 | 143.9 | -177.9 | -88 | 174.7 | 0 | 0 | 0 | 112.6 | | |
| 296 | A | 34.8 | Very low | 37.4 | Very low | 103 Ų | 103 | 127.6 Ų | 127.6 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | 55.3 | -173.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 297 | A | 37.2 | Very low | 37.4 | Very low | 89 Ų | 89 | 122.6 Ų | 122.6 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | cis | -160.2 | 170.6 | -1.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 298 | V | 42.2 | Very low | 37.5 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | | | cis | -163.3 | 140.3 | -17.1 | 115.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 299 | G | 34.6 | Very low | 37.3 | Very low | 75 Ų | 75 | 119.7 Ų | 119.7 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | | | | 128.1 | 162 | 108.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 300 | G | 32.8 | Very low | 36.5 | Very low | 70 Ų | 70 | 119.6 Ų | 119.6 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | | | cis | 175.2 | -177 | -4.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 301 | N | 36.4 | Very low | 36.6 | Very low | 168 Ų | 168 | 121 Ų | 121 | 90% | 0.898 | 80% | 0.803 | S | S | * | * | | | trans | 69.7 | 145.4 | 169.5 | -70.4 | 20.8 | 0 | 0 | 0 | 118.4 | | |
| 302 | A | 36.8 | Very low | 36.6 | Very low | 77 Ų | 77 | 120.8 Ų | 120.8 | 64% | 0.636 | 80% | 0.802 | S | S | * | * | | | cis | -163 | 169.1 | -13.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 303 | F | 39.2 | Very low | 36.6 | Very low | 212 Ų | 212 | 117 Ų | 117 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | | | trans | 63.9 | 144.4 | 176.5 | -90.7 | -103.5 | 0 | 0 | 0 | 117 | | |
| 304 | G | 37 | Very low | 36.3 | Very low | 71 Ų | 71 | 119.3 Ų | 119.3 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | cis | 137.9 | 104.6 | -8.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 305 | G | 34 | Very low | 36.4 | Very low | 81 Ų | 81 | 121.8 Ų | 121.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | 164.1 | 132.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 306 | L | 47.4 | Very low | 36.1 | Very low | 187 Ų | 187 | 122.2 Ų | 122.2 | 98% | 0.979 | 81% | 0.81 | S | S | * | * | | | trans | -109.6 | 148 | 170.8 | -64.4 | 166.8 | 0 | 0 | 0 | 108.7 | | |
| 307 | G | 34 | Very low | 36.2 | Very low | 78 Ų | 78 | 127.8 Ų | 127.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | 172.1 | 112.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 308 | N | 32.7 | Very low | 35.9 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | | | trans | -77.9 | 164.7 | 158.4 | -101.3 | -39.3 | 0 | 0 | 0 | 109.6 | | |
| 309 | P | 39.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 81% | 0.805 | 81% | 0.811 | S | S | * | * | | | | -129.6 | 133.2 | 104.6 | 35.4 | -29.6 | 0 | 0 | 0 | 113.2 | | |
| 310 | S | 27.4 | Very low | 35.3 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | | | trans | -106.6 | 117.1 | 164.9 | 175.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 311 | V | 36.7 | Very low | 35.3 | Very low | 137 Ų | 137 | 133.4 Ų | 133.4 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | | | trans | -145.6 | 123.9 | 159.9 | -159.3 | 0 | 0 | 0 | 0 | 108.6 | | |
| 312 | T | 34.4 | Very low | 35.2 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 76% | 0.761 | 79% | 0.791 | S | S | * | * | | | trans | -72.7 | 158.5 | 170.5 | -0.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 313 | P | 39.6 | Very low | 35.3 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 80% | 0.803 | S | S | * | * | | | | -146.4 | 168.6 | 63.8 | 39 | -19.4 | 0 | 0 | 0 | 117.4 | | |
| 314 | N | 30.9 | Very low | 35.2 | Very low | 158 Ų | 158 | 126.7 Ų | 126.7 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | 39.9 | 104 | 150.1 | -59.8 | -1.3 | 0 | 0 | 0 | 119.9 | | |
| 315 | S | 36.3 | Very low | 35.4 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | -147.7 | 140.2 | 138.7 | -169.2 | 0 | 0 | 0 | 0 | 110.2 | | |
| 316 | M | 33.7 | Very low | 35.5 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -99.9 | 103 | -173.5 | -63 | -164.2 | -55.8 | 0 | 0 | 112.1 | | |
| 317 | F | 37.8 | Very low | 35 | Very low | 219 Ų | 219 | 131.4 Ų | 131.4 | 96% | 0.961 | 78% | 0.784 | S | S | * | * | | | trans | 173.3 | 132 | 132.9 | -116.6 | -112.5 | 0 | 0 | 0 | 110.4 | | |
| 318 | G | 30.4 | Very low | 34.9 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 144.7 | 91.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 319 | H | 30.3 | Very low | 35.3 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 75% | 0.75 | 79% | 0.785 | S | S | * | * | | | trans | -171.6 | 143.8 | 155.8 | -124.9 | -1.6 | 0 | 0 | 0 | 105.3 | D321 | H319-D321 IonicContact CE1-OD1 3.1Å; H319-D321 PolarHBondContact CE1-OD1 3.46Å; H319-D321 IonicContact CE1-OD2 2.68Å; H319-D321 IonicContact ND1-OD1 3.6Å; H319-D321 PolarHBondContact ND1-OD1 3.46Å; H319-D321 IonicContact ND1-OD2 3.7Å; H319-D321 IonicContact NE2-OD1 3.71Å; H319-D321 PolarHBondContact NE2-OD1 3.45Å; H319-D321 IonicContact NE2-OD2 3.8Å; H319-D321 PolarHBondContact NE2-OD2 2.9Å |
| 320 | K | 34.6 | Very low | 34.7 | Very low | 158 Ų | 158 | 136.9 Ų | 136.9 | 69% | 0.687 | 79% | 0.787 | S | S | * | * | | | cis | -138.3 | 164.3 | 17.6 | -79.1 | -70.8 | -170.9 | -169.8 | 0 | 109.3 | | |
| 321 | D | 32.1 | Very low | 35.7 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 55% | 0.545 | 79% | 0.788 | S | S | . | * | | | cis | -163.9 | -156.4 | -30.4 | -105.7 | 13 | 0 | 0 | 0 | 106.7 | H319 | H319-D321 IonicContact CE1-OD1 3.1Å; H319-D321 PolarHBondContact CE1-OD1 3.46Å; H319-D321 IonicContact CE1-OD2 2.68Å; H319-D321 IonicContact ND1-OD1 3.6Å; H319-D321 PolarHBondContact ND1-OD1 3.46Å; H319-D321 IonicContact ND1-OD2 3.7Å; H319-D321 IonicContact NE2-OD1 3.71Å; H319-D321 PolarHBondContact NE2-OD1 3.45Å; H319-D321 IonicContact NE2-OD2 3.8Å; H319-D321 PolarHBondContact NE2-OD2 2.9Å |
| 322 | G | 34.7 | Very low | 35.9 | Very low | 72 Ų | 72 | 138.7 Ų | 138.7 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | -85.4 | -167.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 323 | P | 39.5 | Very low | 36.2 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | | | cis | -119.4 | 175.9 | 18.9 | 42.2 | -31.8 | 0 | 0 | 0 | 116 | | |
| 324 | S | 37.3 | Very low | 36.7 | Very low | 107 Ų | 107 | 137.9 Ų | 137.9 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -99.1 | 138.1 | 175.5 | 176 | 0 | 0 | 0 | 0 | 112.4 | | |
| 325 | V | 39.8 | Very low | 37.4 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | | | trans | -139.1 | 151.8 | 150.1 | -75.2 | 0 | 0 | 0 | 0 | 109.4 | | |
| 326 | Q | 37 | Very low | 38.1 | Very low | 173 Ų | 173 | 136.8 Ų | 136.8 | 81% | 0.808 | 74% | 0.744 | S | S | * | * | | | trans | -86.9 | 141.8 | -170.6 | -74 | -160.3 | -3 | 0 | 0 | 114.5 | | |
| 327 | N | 37.1 | Very low | 39.1 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 65% | 0.647 | 74% | 0.74 | S | S | * | * | | | trans | 32.7 | 109.7 | 130.2 | -176.7 | 41.1 | 0 | 0 | 0 | 118.8 | | |
| 328 | F | 31.6 | Very low | 39.8 | Very low | 206 Ų | 206 | 134 Ų | 134 | 90% | 0.904 | 73% | 0.726 | S | S | * | * | | | trans | -144.3 | 125.5 | 134.8 | -85.4 | -66 | 0 | 0 | 0 | 111.7 | | |
| 329 | S | 40.3 | Very low | 40.7 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 73% | 0.73 | S | S | * | * | | | trans | -77.6 | 123.8 | 164.9 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | | |
| 330 | N | 28.1 | Very low | 41.9 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 85% | 0.85 | 73% | 0.732 | S | S | * | * | | | trans | -98.7 | 139.3 | 177.8 | -151.6 | 35 | 0 | 0 | 0 | 111.5 | | |
| 331 | P | 48.6 | Very low | 42.3 | Very low | 114 Ų | 114 | 140 Ų | 140 | 74% | 0.74 | 74% | 0.736 | S | S | * | * | | | trans | -108.4 | 79.2 | -154.6 | 39.9 | -34 | 0 | 0 | 0 | 114.8 | | |
| 332 | H | 38.9 | Very low | 43.2 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | -150.9 | 106.7 | 166.9 | -158.6 | -97.9 | 0 | 0 | 0 | 113.6 | | |
| 333 | E | 42.2 | Very low | 44.1 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 59% | 0.593 | 74% | 0.744 | S | S | * | * | | | trans | 165.5 | 72 | 148.7 | -92.6 | 160 | -153.3 | 0 | 0 | 111.6 | W335 N336 | E333-W335 PolarHBondContact O-N 2.89Å; E333-N336 HydrophobicContact CB-CB 4.39Å; E333-N336 PolarHBondContact OE2-ND2 3.23Å |
| 334 | P | 49.4 | Very low | 44.3 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 58% | 0.584 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -63.4 | -22.3 | 176.7 | 25.8 | -33.9 | 0 | 0 | 0 | 113.5 | | |
| 335 | W | 46.4 | Very low | 44.6 | Very low | 150 Ų | 150 | 143.1 Ų | 143.1 | 57% | 0.568 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -79 | -33.4 | -175.1 | -66.3 | 102.4 | 0 | 0 | 0 | 114.3 | E333 R337 L338 S760 | E333-W335 PolarHBondContact O-N 2.89Å; W335-R337 PolarHBondContact O-N 2.92Å; W335-L338 HydrophobicContact CE3-CD1 4.25Å; W335-L338 HydrophobicContact CZ3-CD1 4.25Å; W335-L338 PolarHBondContact O-N 3.11Å; W335-S760 WeakPolarHBondContact CH2-OG 3.32Å; W335-S760 WeakPolarHBondContact CZ2-OG 3.37Å |
| 336 | N | 50.7 | Low | 44.8 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 58% | 0.578 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -72.4 | 0.7 | -176 | -79.7 | -27 | 0 | 0 | 0 | 114.5 | E333 | E333-N336 HydrophobicContact CB-CB 4.39Å; E333-N336 PolarHBondContact OE2-ND2 3.23Å |
| 337 | R | 55 | Low | 45.1 | Very low | 212 Ų | 212 | 139.6 Ų | 139.6 | 80% | 0.8 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -99 | -16.6 | 179.4 | -141 | 177.2 | -167.3 | -158.8 | 3.4 | 114.6 | W335 H339 | W335-R337 PolarHBondContact O-N 2.92Å; R337-H339 PolarHBondContact O-N 3.11Å |
| 338 | L | 51.6 | Low | 45.7 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 67% | 0.665 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -19.1 | -174.1 | -96.5 | 158.5 | 0 | 0 | 0 | 114.8 | W335 | W335-L338 HydrophobicContact CE3-CD1 4.25Å; W335-L338 HydrophobicContact CZ3-CD1 4.25Å; W335-L338 PolarHBondContact O-N 3.11Å |
| 339 | H | 50.5 | Low | 46.5 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 10 | 180 | -67.7 | -69.3 | 0 | 0 | 0 | 114.4 | R337 | R337-H339 PolarHBondContact O-N 3.11Š|
| 340 | R | 54.1 | Low | 46.8 | Very low | 208 Ų | 208 | 134.6 Ų | 134.6 | 79% | 0.785 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -106.9 | 125.5 | 171.4 | -64.3 | -171 | -174.3 | -131.4 | 1.9 | 109.7 | | |
| 341 | T | 43.5 | Very low | 47.4 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | | | trans | -57.4 | 136.6 | 173.3 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 342 | P | 50.2 | Low | 46.9 | Very low | 78 Ų | 78 | 141.1 Ų | 141.1 | 51% | 0.506 | 73% | 0.727 | S | S | . | * | | | trans | -64.6 | 150.2 | 177.3 | 27.7 | -34.7 | 0 | 0 | 0 | 111.1 | S344 | P342-S344 PolarHBondContact O-N 2.81Š|
| 343 | P | 53.7 | Low | 46.7 | Very low | 144 Ų | 144 | 142.5 Ų | 142.5 | 94% | 0.935 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 31.5 | -173 | 34.1 | -38.6 | 0 | 0 | 0 | 114 | | |
| 344 | S | 44.3 | Very low | 46.4 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.2 | 3.4 | -177.3 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | P342 | P342-S344 PolarHBondContact O-N 2.81Š|
| 345 | F | 43.8 | Very low | 45.6 | Very low | 163 Ų | 163 | 142.2 Ų | 142.2 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -92.8 | 142.3 | 166.3 | -103.4 | -103.5 | 0 | 0 | 0 | 110.6 | T347 | F345-T347 PolarHBondContact O-N 2.95Å; F345-T347 VanDerWaalsContact O-N 3.11Å |
| 346 | P | 44.1 | Very low | 45 | Very low | 117 Ų | 117 | 142 Ų | 142 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | trans | -68.8 | 109.8 | 175.4 | 28.3 | -33.3 | 0 | 0 | 0 | 109.9 | | |
| 347 | T | 42.1 | Very low | 44.3 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 127.8 | 171.2 | -43.7 | 0 | 0 | 0 | 0 | 108.9 | F345 | F345-T347 PolarHBondContact O-N 2.95Å; F345-T347 VanDerWaalsContact O-N 3.11Å |
| 348 | P | 50.8 | Low | 43.4 | Very low | 101 Ų | 101 | 142.7 Ų | 142.7 | 66% | 0.656 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148 | 169.7 | 27.3 | -34.2 | 0 | 0 | 0 | 109.2 | | |
| 349 | P | 47.5 | Very low | 42.6 | Very low | 113 Ų | 113 | 145.9 Ų | 145.9 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 130.6 | -179.2 | -27.1 | 34.9 | 0 | 0 | 0 | 110.9 | W351 | P349-W351 PolarHBondContact O-N 3.39Š|
| 350 | P | 48 | Very low | 41.8 | Very low | 115 Ų | 115 | 143 Ų | 143 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 123.3 | 178.2 | 25.2 | -32.8 | 0 | 0 | 0 | 108.7 | L352 | P350-L352 PolarHBondContact O-N 3.42Å; P350-L352 VanDerWaalsContact O-N 3.09Å |
| 351 | W | 40 | Very low | 40.4 | Very low | 250 Ų | 250 | 137.7 Ų | 137.7 | 95% | 0.947 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 118.8 | 175 | -90.2 | 82.2 | 0 | 0 | 0 | 109.2 | P349 K353 | P349-W351 PolarHBondContact O-N 3.39Å; W351-K353 PolarHBondContact O-N 3.38Å; W351-K353 VanDerWaalsContact O-N 3.11Å |
| 352 | L | 38.8 | Very low | 39.7 | Very low | 161 Ų | 161 | 137.2 Ų | 137.2 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -62.9 | 114.7 | 177 | -65.6 | 174.7 | 0 | 0 | 0 | 108.4 | P350 | P350-L352 PolarHBondContact O-N 3.42Å; P350-L352 VanDerWaalsContact O-N 3.09Å |
| 353 | K | 34.2 | Very low | 38.7 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 131.4 | 165 | -66.9 | -177.2 | 176.6 | -175.2 | 0 | 107.7 | W351 G355 | W351-K353 PolarHBondContact O-N 3.38Å; W351-K353 VanDerWaalsContact O-N 3.11Å; K353-G355 PolarHBondContact O-N 3.23Å |
| 354 | P | 36.6 | Very low | 37.5 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 130.3 | 168.7 | -27.3 | 36.4 | 0 | 0 | 0 | 110.1 | | |
| 355 | G | 32.3 | Very low | 36.8 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 162 | -150.8 | 0 | 0 | 0 | 0 | 0 | 117 | K353 | K353-G355 PolarHBondContact O-N 3.23Š|
| 356 | E | 32.9 | Very low | 36.6 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 69% | 0.687 | 80% | 0.799 | S | S | * | * | | | trans | -83.3 | 111.4 | 150.9 | -178.4 | -159 | 173.3 | 0 | 0 | 107.9 | R359 | E356-R359 IonicContact OE1-CZ 3.99Å; E356-R359 IonicContact OE1-NH1 3.13Å; E356-R359 PolarHBondContact OE1-NH1 2.93Å; E356-R359 IonicContact OE1-NH2 2.75Å; E356-R359 PolarHBondContact OE1-NH2 3.1Å |
| 357 | L | 35.7 | Very low | 36 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -158.9 | 90 | 154.6 | -171.5 | 63.1 | 0 | 0 | 0 | 110.6 | | |
| 358 | E | 36 | Very low | 36 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | | | | 175.7 | 160.2 | 118.2 | -82.7 | -133.1 | 122.2 | 0 | 0 | 110 | | |
| 359 | R | 36.4 | Very low | 35.3 | Very low | 194 Ų | 194 | 141.4 Ų | 141.4 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | | | trans | -128.1 | 133.6 | 177.2 | -74.5 | 179 | 174.6 | 67.6 | 12.4 | 109.7 | E356 | E356-R359 IonicContact OE1-CZ 3.99Å; E356-R359 IonicContact OE1-NH1 3.13Å; E356-R359 PolarHBondContact OE1-NH1 2.93Å; E356-R359 IonicContact OE1-NH2 2.75Å; E356-R359 PolarHBondContact OE1-NH2 3.1Å |
| 360 | S | 31.9 | Very low | 35.1 | Very low | 126 Ų | 126 | 145.7 Ų | 145.7 | 88% | 0.881 | 79% | 0.793 | S | S | * | * | | | trans | 70.4 | 135.4 | 167 | -51.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 361 | A | 26.3 | Very low | 34.8 | Very low | 95 Ų | 95 | 145.8 Ų | 145.8 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | cis | -156.9 | -165.6 | -6.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 362 | S | 28.8 | Very low | 35.3 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | cis | -163.5 | -164.2 | 11.6 | -158.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 363 | A | 27.7 | Very low | 35.6 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | trans | 75.4 | 159.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 364 | A | 28.5 | Very low | 36.1 | Very low | 99 Ų | 99 | 137.7 Ų | 137.7 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -143.3 | -177.5 | -158.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 365 | A | 30.3 | Very low | 36.7 | Very low | 100 Ų | 100 | 141.6 Ų | 141.6 | 83% | 0.826 | 77% | 0.766 | S | S | * | * | | | trans | 72.1 | 150 | -170 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 366 | H | 38.8 | Very low | 36.9 | Very low | 177 Ų | 177 | 144.9 Ų | 144.9 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | | | cis | -131.1 | 163.2 | 9.9 | -169.5 | -89 | 0 | 0 | 0 | 112 | | |
| 367 | D | 32.8 | Very low | 37.2 | Very low | 102 Ų | 102 | 144.1 Ų | 144.1 | 55% | 0.545 | 78% | 0.776 | S | S | . | * | | | trans | -85.1 | 175.4 | 177 | -171.3 | 37.5 | 0 | 0 | 0 | 112.8 | | |
| 368 | R | 41.5 | Very low | 37.4 | Very low | 201 Ų | 201 | 141.4 Ų | 141.4 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | | | trans | -8.2 | 135.4 | 166.4 | -64.9 | 161.3 | -172.7 | 112.7 | -5.6 | 118.6 | | |
| 369 | D | 36 | Very low | 37.8 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | -146.3 | 151.1 | 131.6 | -150.8 | -71.2 | 0 | 0 | 0 | 110.5 | | |
| 370 | R | 42.6 | Very low | 37.9 | Very low | 203 Ų | 203 | 136 Ų | 136 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | trans | 42.3 | 87 | 175.2 | -74.7 | 146 | -145.8 | -129.8 | -4.9 | 120.2 | V372 | R370-V372 VanDerWaalsContact C-N 3.28Å; R370-V372 HydrophobicContact CB-CB 4.41Å; R370-V372 HydrophobicContact CB-CG2 3.97Å; R370-V372 HydrophobicContact CG-CB 4.41Å; R370-V372 HydrophobicContact CG-CG2 3.76Å; R370-V372 PolarHBondContact O-N 3.09Å |
| 371 | D | 43.6 | Very low | 38.2 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 63% | 0.626 | 77% | 0.771 | S | S | * | * | | | trans | -77.2 | 81.4 | 140.2 | -165.8 | -39.9 | 0 | 0 | 0 | 108.7 | K374 | D371-K374 IonicContact OD1-NZ 2.64Å; D371-K374 IonicContact OD2-NZ 3.43Å; D371-K374 PolarHBondContact OD2-NZ 3.19Å |
| 372 | V | 48.8 | Very low | 39 | Very low | 111 Ų | 111 | 138 Ų | 138 | 67% | 0.673 | 76% | 0.756 | S | S | * | * | | | trans | -143.3 | 48 | -179.8 | -159.8 | 0 | 0 | 0 | 0 | 112.4 | R370 | R370-V372 VanDerWaalsContact C-N 3.28Å; R370-V372 HydrophobicContact CB-CB 4.41Å; R370-V372 HydrophobicContact CB-CG2 3.97Å; R370-V372 HydrophobicContact CG-CB 4.41Å; R370-V372 HydrophobicContact CG-CG2 3.76Å; R370-V372 PolarHBondContact O-N 3.09Å |
| 373 | D | 45.2 | Very low | 39.7 | Very low | 149 Ų | 149 | 139.7 Ų | 139.7 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | | | trans | -153.9 | 33.3 | 155 | -129.2 | -35.1 | 0 | 0 | 0 | 115.6 | R375 | D373-R375 PolarHBondContact O-N 2.87Š|
| 374 | K | 45.3 | Very low | 40.6 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | | | trans | -79.3 | 63.8 | 166 | -74 | 175.3 | -175.1 | 146.8 | 0 | 110.9 | D371 | D371-K374 IonicContact OD1-NZ 2.64Å; D371-K374 IonicContact OD2-NZ 3.43Å; D371-K374 PolarHBondContact OD2-NZ 3.19Å |
| 375 | R | 50 | Low | 41.6 | Very low | 218 Ų | 218 | 144 Ų | 144 | 82% | 0.823 | 74% | 0.739 | S | S | * | * | | | trans | -142.8 | 40.7 | 176.2 | -149 | -161.9 | -63.4 | -174.1 | 1.5 | 116 | D373 | D373-R375 PolarHBondContact O-N 2.87Š|
| 376 | D | 36.5 | Very low | 42.5 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | | | trans | -149.5 | 108.8 | 140.7 | -123.7 | -38 | 0 | 0 | 0 | 112.2 | | |
| 377 | S | 37.7 | Very low | 42.6 | Very low | 131 Ų | 131 | 147 Ų | 147 | 92% | 0.916 | 73% | 0.728 | S | S | * | * | | | trans | -163.7 | 44.6 | 179.1 | -76 | 0 | 0 | 0 | 0 | 111.2 | | |
| 378 | S | 40.8 | Very low | 43 | Very low | 100 Ų | 100 | 146.2 Ų | 146.2 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | | | trans | -129.6 | 57.5 | 179.1 | 57 | 0 | 0 | 0 | 0 | 112.8 | | |
| 379 | V | 43.6 | Very low | 43.2 | Very low | 136 Ų | 136 | 141.6 Ų | 141.6 | 82% | 0.824 | 72% | 0.724 | S | S | * | * | | | trans | -136.4 | 69 | 166.8 | 124.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 380 | S | 38.8 | Very low | 43.6 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 85% | 0.853 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -163.7 | 46.7 | 177.3 | -160.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 381 | K | 37.9 | Very low | 43.9 | Very low | 177 Ų | 177 | 142.5 Ų | 142.5 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -135.7 | -18.9 | 178.3 | -153.7 | 173.3 | -178.5 | -176.5 | 0 | 114.1 | | |
| 382 | D | 43.6 | Very low | 44 | Very low | 87 Ų | 87 | 147.3 Ų | 147.3 | 47% | 0.465 | 74% | 0.739 | S | S | . | * | G | 310 helix | trans | -88.2 | -18.2 | -165.9 | -37.9 | -96 | 0 | 0 | 0 | 112.2 | K384 E385 | D382-K384 PolarHBondContact O-N 3.33Å; D382-E385 VanDerWaalsContact O-CG 3.23Å; D382-E385 WeakPolarHBondContact O-CG 3.37Å |
| 383 | D | 43.2 | Very low | 43.4 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -79 | -6.3 | 175.8 | -155.7 | 43.1 | 0 | 0 | 0 | 112.6 | | |
| 384 | K | 47.4 | Very low | 42.7 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 73% | 0.726 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -97.6 | -14.7 | -178.1 | -157.5 | 54.7 | 171.8 | 170.1 | 0 | 114.4 | D382 | D382-K384 PolarHBondContact O-N 3.33Š|
| 385 | E | 50 | Low | 42 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 57% | 0.57 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -29.6 | 179.5 | 49.4 | 176 | -137.7 | 0 | 0 | 113.2 | D382 E387 S388 | D382-E385 VanDerWaalsContact O-CG 3.23Å; D382-E385 WeakPolarHBondContact O-CG 3.37Å; E385-E387 PolarHBondContact O-N 3.28Å; E385-S388 WeakPolarHBondContact O-CB 3.45Å; E385-S388 PolarHBondContact O-N 2.92Å |
| 386 | R | 49.5 | Very low | 41.3 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 71% | 0.709 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -61.9 | -36 | -176.8 | -115.7 | -178 | 179.4 | 89.7 | 0.1 | 114.3 | S388 V389 | R386-S388 PolarHBondContact O-N 3.5Å; R386-V389 WeakPolarHBondContact O-CG2 3.41Å |
| 387 | E | 40.4 | Very low | 41.2 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 72% | 0.715 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -72.6 | -13.4 | 175.6 | -161.9 | -177.6 | -166.2 | 0 | 0 | 112.8 | E385 | E385-E387 PolarHBondContact O-N 3.28Š|
| 388 | S | 39.7 | Very low | 40.6 | Very low | 85 Ų | 85 | 141.5 Ų | 141.5 | 59% | 0.594 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -92.7 | -18.5 | -174.1 | -163.9 | 0 | 0 | 0 | 0 | 114.4 | E385 R386 | E385-S388 WeakPolarHBondContact O-CB 3.45Å; E385-S388 PolarHBondContact O-N 2.92Å; R386-S388 PolarHBondContact O-N 3.5Å |
| 389 | V | 45.7 | Very low | 40.4 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -84.3 | -21.3 | -174 | -64.8 | 0 | 0 | 0 | 0 | 114.2 | R386 K391 | R386-V389 WeakPolarHBondContact O-CG2 3.41Å; V389-K391 PolarHBondContact O-N 3.24Å |
| 390 | E | 45.8 | Very low | 39.8 | Very low | 167 Ų | 167 | 140.2 Ų | 140.2 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 8.2 | -170.5 | -53.5 | -171.4 | 139.8 | 0 | 0 | 114.9 | | |
| 391 | K | 48.8 | Very low | 39.7 | Very low | 189 Ų | 189 | 140.5 Ų | 140.5 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.3 | 33 | -162 | -129.4 | 164.9 | -168.8 | 162.5 | 0 | 115.8 | V389 | V389-K391 PolarHBondContact O-N 3.24Š|
| 392 | R | 45.3 | Very low | 39.4 | Very low | 218 Ų | 218 | 138.7 Ų | 138.7 | 82% | 0.823 | 74% | 0.742 | S | S | * | * | | | trans | -135.5 | 32.1 | 178.8 | -70.9 | -162.3 | -173.2 | 168.2 | 5.8 | 117.2 | | |
| 393 | H | 36.1 | Very low | 39 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | | | trans | -137.1 | 114.1 | 162.4 | -45.1 | -84.8 | 0 | 0 | 0 | 106.5 | | |
| 394 | S | 31.4 | Very low | 39 | Very low | 103 Ų | 103 | 140.4 Ų | 140.4 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | cis | -143.9 | 135.3 | 39.2 | 177.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 395 | S | 29.2 | Very low | 38 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 81% | 0.811 | 76% | 0.756 | S | S | * | * | | | trans | -150.2 | 84.6 | 161.2 | 62.2 | 0 | 0 | 0 | 0 | 109 | | |
| 396 | H | 34.9 | Very low | 36.8 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 154.6 | 176.4 | -86.2 | -85.8 | 0 | 0 | 0 | 111.8 | | |
| 397 | P | 35.1 | Very low | 35.7 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 151.5 | -157.3 | 31.3 | -37 | 0 | 0 | 0 | 114.4 | | |
| 398 | S | 25.8 | Very low | 35.3 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 138.6 | 160.5 | -167.6 | 0 | 0 | 0 | 0 | 109.5 | | |
| 399 | P | 37.1 | Very low | 34.6 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 141.4 | -176 | 30.4 | -35 | 0 | 0 | 0 | 112.9 | | |
| 400 | A | 30.8 | Very low | 33.9 | Very low | 92 Ų | 92 | 136.4 Ų | 136.4 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 151.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 401 | P | 35.2 | Very low | 33.1 | Very low | 127 Ų | 127 | 132.5 Ų | 132.5 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 155.1 | -170.1 | 33.7 | -36.6 | 0 | 0 | 0 | 114.2 | | |
| 402 | V | 33.3 | Very low | 32.2 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | | | trans | -137.2 | 140.7 | 165.9 | -85.6 | 0 | 0 | 0 | 0 | 111 | | |
| 403 | L | 33.7 | Very low | 31.3 | Very low | 166 Ų | 166 | 129 Ų | 129 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | | | trans | -140.9 | 170.7 | 175 | -64.4 | 178.1 | 0 | 0 | 0 | 106.5 | | |
| 404 | P | 42.9 | Very low | 30.8 | Very low | 108 Ų | 108 | 124.9 Ų | 124.9 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | cis | -134.9 | -151.9 | 9.2 | 30.1 | -4.1 | 0 | 0 | 0 | 112.9 | | |
| 405 | V | 27.6 | Very low | 30.7 | Very low | 119 Ų | 119 | 124.7 Ų | 124.7 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | | | trans | 75.5 | 131.4 | 163.1 | 175.3 | 0 | 0 | 0 | 0 | 115.2 | | |
| 406 | N | 25.1 | Very low | 30.7 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 74% | 0.742 | S | S | * | * | | | cis | -164.2 | 169.9 | -11.1 | -105.8 | 1.9 | 0 | 0 | 0 | 106.2 | | |
| 407 | A | 26.8 | Very low | 30.4 | Very low | 81 Ų | 81 | 125.5 Ų | 125.5 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | | | cis | -172.9 | -173.8 | -21.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 408 | L | 30.5 | Very low | 30.3 | Very low | 166 Ų | 166 | 127.5 Ų | 127.5 | 87% | 0.869 | 74% | 0.743 | S | S | * | * | | | trans | 77 | 117.9 | 167.6 | -149.2 | 75 | 0 | 0 | 0 | 116.3 | | |
| 409 | G | 26.5 | Very low | 30.6 | Very low | 58 Ų | 58 | 132.5 Ų | 132.5 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | | | cis | 166.6 | -170.7 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 410 | H | 30.3 | Very low | 30.1 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | | | trans | 82.1 | 133 | 170.7 | -53.7 | 90.5 | 0 | 0 | 0 | 117.3 | | |
| 411 | T | 28.5 | Very low | 30 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 52% | 0.521 | 74% | 0.737 | S | S | . | * | | | cis | -161.9 | 161.1 | -9.1 | 40.7 | 0 | 0 | 0 | 0 | 112.5 | | |
| 412 | R | 30.6 | Very low | 29.7 | Very low | 228 Ų | 228 | 135.2 Ų | 135.2 | 86% | 0.86 | 74% | 0.737 | S | S | * | * | | | trans | 70.8 | 144.5 | 160.7 | -24.2 | -173.8 | -166.5 | -91.7 | -14.4 | 115.1 | | |
| 413 | S | 26.3 | Very low | 29.4 | Very low | 105 Ų | 105 | 133.8 Ų | 133.8 | 73% | 0.734 | 73% | 0.725 | S | S | * | * | | | cis | -148.5 | 141.3 | 4.1 | 179.2 | 0 | 0 | 0 | 0 | 108.1 | | |
| 414 | S | 24.8 | Very low | 29.3 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 68% | 0.678 | 73% | 0.726 | S | S | * | * | | | | 42.6 | 133.5 | 88.1 | -141.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 415 | T | 29.2 | Very low | 28.6 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 61% | 0.607 | 73% | 0.731 | S | S | * | * | | | cis | -157.9 | -176.9 | 22.1 | -29.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 416 | E | 30.3 | Very low | 28.9 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 66% | 0.659 | 73% | 0.732 | S | S | * | * | | | trans | 56.7 | 130.2 | 173.4 | -81.9 | 56 | -95.7 | 0 | 0 | 118.8 | | |
| 417 | Q | 29.2 | Very low | 29.2 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | | | cis | 99.6 | 144.4 | 23.2 | -68.1 | -166.6 | 51.9 | 0 | 0 | 116.9 | | |
| 418 | I | 32.4 | Very low | 29.4 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | | | trans | 86.6 | 128.9 | 177.7 | -58.3 | 166.5 | 0 | 0 | 0 | 114 | | |
| 419 | R | 31.4 | Very low | 29.4 | Very low | 221 Ų | 221 | 139.4 Ų | 139.4 | 83% | 0.834 | 72% | 0.72 | S | S | * | * | | | cis | 103.8 | 132.8 | 4.5 | -170.4 | -178.5 | -74.5 | 178.2 | -4.1 | 115.2 | | |
| 420 | A | 26.4 | Very low | 29.4 | Very low | 75 Ų | 75 | 142.4 Ų | 142.4 | 62% | 0.62 | 72% | 0.722 | S | S | * | * | | | cis | -110.8 | -116.8 | -10.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 421 | H | 29.3 | Very low | 29.5 | Very low | 161 Ų | 161 | 142.9 Ų | 142.9 | 75% | 0.745 | 72% | 0.722 | S | S | * | * | | | cis | -150.5 | 151.3 | 7.3 | -74.6 | -94 | 0 | 0 | 0 | 113.5 | | |
| 422 | L | 29.7 | Very low | 29.9 | Very low | 158 Ų | 158 | 144.6 Ų | 144.6 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | | | trans | 46.8 | 111.9 | 151 | -62.2 | 178.5 | 0 | 0 | 0 | 124 | | |
| 423 | N | 25.2 | Very low | 29.7 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 59% | 0.588 | 74% | 0.735 | S | S | * | * | | | | 73.6 | 119.3 | 120.5 | -157.8 | -20.3 | 0 | 0 | 0 | 121.3 | E425 | N423-E425 PolarHBondContact OD1-N 3.46Å; N423-E425 VanDerWaalsContact OD1-N 3.15Å |
| 424 | T | 32 | Very low | 30 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | | | trans | -147.6 | 107.7 | 141.7 | -59.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 425 | E | 28 | Very low | 30.4 | Very low | 172 Ų | 172 | 152 Ų | 152 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | -108 | 111.7 | 179.7 | -70.9 | -176.6 | 125.2 | 0 | 0 | 112.9 | N423 | N423-E425 PolarHBondContact OD1-N 3.46Å; N423-E425 VanDerWaalsContact OD1-N 3.15Å |
| 426 | A | 34.3 | Very low | 30.4 | Very low | 89 Ų | 89 | 153.9 Ų | 153.9 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | | | trans | 173.9 | 115.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 427 | R | 31.3 | Very low | 30.5 | Very low | 214 Ų | 214 | 156.5 Ų | 156.5 | 81% | 0.808 | 75% | 0.75 | S | S | * | * | | | | 64.6 | 121.4 | 52.5 | -164 | 173.1 | -177 | 180 | -1.3 | 110.9 | | |
| 428 | E | 30.4 | Very low | 30.5 | Very low | 129 Ų | 129 | 153.5 Ų | 153.5 | 60% | 0.603 | 74% | 0.739 | S | S | * | * | | | cis | -139.3 | 148.8 | 15 | -142.7 | 144.1 | -144 | 0 | 0 | 108.1 | | |
| 429 | K | 30.5 | Very low | 30.3 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 68% | 0.683 | 74% | 0.736 | S | S | * | * | | | | 45.3 | 145.8 | 70.4 | -97.9 | 176.8 | 145.9 | -96 | 0 | 114.6 | | |
| 430 | D | 27.9 | Very low | 30.2 | Very low | 120 Ų | 120 | 148.1 Ų | 148.1 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | | | cis | -140.6 | -172 | 31.3 | -134.7 | -49.2 | 0 | 0 | 0 | 117.7 | | |
| 431 | K | 32.2 | Very low | 30.2 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | | | trans | -89.3 | 161.1 | -167.6 | -87.8 | -171.4 | 169.8 | -172.4 | 0 | 115 | | |
| 432 | P | 37.1 | Very low | 30.1 | Very low | 122 Ų | 122 | 149.2 Ų | 149.2 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | | | trans | -77 | 147 | 165.6 | 33.8 | -35 | 0 | 0 | 0 | 112.1 | | |
| 433 | K | 26.7 | Very low | 29.9 | Very low | 197 Ų | 197 | 151.3 Ų | 151.3 | 86% | 0.857 | 73% | 0.732 | S | S | * | * | | | trans | -155.6 | 130.4 | 155.4 | -158.7 | 176.2 | 179.2 | -175.9 | 0 | 113.9 | | |
| 434 | E | 32.8 | Very low | 30.1 | Very low | 167 Ų | 167 | 153.7 Ų | 153.7 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | | | trans | -74.4 | 129.1 | 163.7 | 172.3 | -151.2 | 152.2 | 0 | 0 | 111 | | |
| 435 | R | 31.2 | Very low | 29.8 | Very low | 222 Ų | 222 | 153.5 Ų | 153.5 | 84% | 0.838 | 73% | 0.73 | S | S | * | * | | | trans | -160 | 152.9 | 136.4 | -147.7 | 160.1 | -177.5 | 77.4 | 0.6 | 113.5 | | |
| 436 | E | 29.9 | Very low | 30 | Very low | 137 Ų | 137 | 153.2 Ų | 153.2 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | | | trans | -89.7 | 144.4 | -179.2 | -165.6 | -168.3 | 145.8 | 0 | 0 | 112 | | |
| 437 | R | 32.7 | Very low | 29.6 | Very low | 196 Ų | 196 | 153.4 Ų | 153.4 | 74% | 0.74 | 74% | 0.735 | S | S | * | * | | | trans | 63.2 | 158.7 | 151.5 | -85.4 | 177.7 | 179.3 | 122.5 | 0.2 | 119.4 | | |
| 438 | D | 28.7 | Very low | 29.6 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 52% | 0.524 | 73% | 0.734 | S | S | . | * | | | cis | -153.1 | 164.2 | 15.7 | -125.4 | -27.6 | 0 | 0 | 0 | 115.5 | | |
| 439 | H | 29.1 | Very low | 29.7 | Very low | 159 Ų | 159 | 148.7 Ų | 148.7 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | | | trans | 53.7 | 151.5 | 151.5 | -60.3 | -17.9 | 0 | 0 | 0 | 120.8 | | |
| 440 | S | 29.2 | Very low | 29.8 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | | | cis | -172.3 | -178.3 | -11.7 | 53.8 | 0 | 0 | 0 | 0 | 106.9 | | |
| 441 | E | 26.6 | Very low | 30.1 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 75% | 0.752 | 75% | 0.746 | S | S | * | * | | | cis | -163.3 | 169.4 | 3.2 | -141.7 | -63.5 | 85.6 | 0 | 0 | 107.8 | | |
| 442 | S | 26 | Very low | 30 | Very low | 97 Ų | 97 | 150.7 Ų | 150.7 | 68% | 0.678 | 75% | 0.751 | S | S | * | * | | | trans | 74.9 | 149.7 | 156 | -172 | 0 | 0 | 0 | 0 | 119.2 | | |
| 443 | R | 26.7 | Very low | 29.7 | Very low | 203 Ų | 203 | 149.2 Ų | 149.2 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | cis | 179.3 | 141.3 | -35.4 | 177 | 172.7 | -175.8 | -164 | 5 | 108.9 | | |
| 444 | K | 28.9 | Very low | 29.9 | Very low | 160 Ų | 160 | 148.4 Ų | 148.4 | 70% | 0.696 | 75% | 0.745 | S | S | * | * | | | trans | 71.5 | 111.1 | 165.4 | -84.5 | 176.2 | 170.4 | -164.2 | 0 | 121 | | |
| 445 | D | 26.5 | Very low | 29.5 | Very low | 141 Ų | 141 | 148.2 Ų | 148.2 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | | | | 40.3 | 107.1 | 106.8 | -53.5 | -47 | 0 | 0 | 0 | 120.9 | | |
| 446 | L | 31.1 | Very low | 29.4 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 87% | 0.874 | 74% | 0.74 | S | S | * | * | | | | 164.7 | 136.4 | 95.4 | -102 | 163.5 | 0 | 0 | 0 | 115.8 | | |
| 447 | A | 26.2 | Very low | 29.3 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | trans | 65.8 | 163.6 | 145.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 448 | A | 31.4 | Very low | 29 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | | | trans | 61.5 | 94 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 449 | D | 31.6 | Very low | 29.9 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 76% | 0.758 | S | S | * | * | | | | 80.4 | 149.9 | 69.5 | -158.4 | 24.7 | 0 | 0 | 0 | 115.8 | | |
| 450 | E | 33 | Very low | 29.8 | Very low | 140 Ų | 140 | 142 Ų | 142 | 65% | 0.654 | 76% | 0.762 | S | S | * | * | | | trans | 54.1 | 112.1 | 171.8 | -73.1 | -165.1 | 163.3 | 0 | 0 | 123.4 | | |
| 451 | H | 33.8 | Very low | 29.9 | Very low | 158 Ų | 158 | 144.2 Ų | 144.2 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | | | | 82.4 | 135.3 | 124.6 | -67.7 | -23 | 0 | 0 | 0 | 125 | | |
| 452 | K | 31.3 | Very low | 29.9 | Very low | 195 Ų | 195 | 142.1 Ų | 142.1 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | | | trans | 63.4 | 102.7 | 148.5 | -87.7 | -168.9 | 171.6 | -178.3 | 0 | 122.3 | | |
| 453 | A | 29.6 | Very low | 30.1 | Very low | 91 Ų | 91 | 140.7 Ų | 140.7 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | | | | 59.4 | 146 | 105.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 454 | K | 31.2 | Very low | 30.1 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 78% | 0.783 | 76% | 0.756 | S | S | * | * | | | trans | 73.1 | 130.9 | 176.4 | -74.3 | -177.5 | 164.8 | -80.1 | 0 | 114.6 | | |
| 455 | E | 25.7 | Very low | 30 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | cis | 93.2 | 129.4 | 41.2 | -176.5 | -172.3 | -155.6 | 0 | 0 | 112.2 | | |
| 456 | G | 28.8 | Very low | 30.1 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | | | trans | 106.4 | 106.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 457 | H | 26.2 | Very low | 29.9 | Very low | 181 Ų | 181 | 135.3 Ų | 135.3 | 84% | 0.838 | 75% | 0.748 | S | S | * | * | | | cis | 103.5 | 136.9 | 39.2 | -165.3 | -61.4 | 0 | 0 | 0 | 112 | | |
| 458 | L | 27.4 | Very low | 30.2 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | | | trans | -50.5 | 170.4 | 171 | -63.8 | 148.5 | 0 | 0 | 0 | 113 | | |
| 459 | P | 47.9 | Very low | 30.2 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | | | cis | -152.2 | -156.5 | 29.6 | 42.3 | -18.2 | 0 | 0 | 0 | 117.2 | | |
| 460 | E | 25.8 | Very low | 30 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | 96.6 | 145.2 | 149 | -149.2 | 175.9 | 149 | 0 | 0 | 119.2 | | |
| 461 | K | 31.5 | Very low | 29.8 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 67% | 0.674 | 76% | 0.76 | S | S | * | * | | | cis | -171.2 | 168.3 | -41.7 | -167.3 | 177.6 | 165.2 | -73.6 | 0 | 110.1 | | |
| 462 | D | 27.7 | Very low | 29.5 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | | | trans | 71.3 | 147.5 | 160 | -67.8 | -39.7 | 0 | 0 | 0 | 121.9 | | |
| 463 | G | 29.1 | Very low | 29.5 | Very low | 67 Ų | 67 | 132 Ų | 132 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | | | trans | 123.8 | 65.5 | 170 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 464 | H | 28.4 | Very low | 29.7 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | | | | 52.7 | 119.7 | 83 | -67.9 | 106.6 | 0 | 0 | 0 | 116.5 | | |
| 465 | G | 25.6 | Very low | 30 | Very low | 72 Ų | 72 | 132.2 Ų | 132.2 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | | | trans | 144.7 | 104.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 466 | H | 28.7 | Very low | 30.3 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | | | trans | 0.3 | 131.8 | 143.5 | -72.5 | -88.9 | 0 | 0 | 0 | 119.7 | | |
| 467 | E | 27.6 | Very low | 30.6 | Very low | 139 Ų | 139 | 136 Ų | 136 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | | | | 94.9 | 130.2 | 65.4 | -168 | -174.3 | 170.7 | 0 | 0 | 112.7 | R469 | E467-R469 IonicContact OE1-NH1 3.48Å; E467-R469 PolarHBondContact OE1-NH1 2.9Å |
| 468 | G | 31 | Very low | 30.7 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | trans | -159 | 141.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 469 | R | 32.5 | Very low | 30.8 | Very low | 217 Ų | 217 | 131.3 Ų | 131.3 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | | | trans | -131.2 | 169.9 | -161.3 | -124.8 | -179.9 | 178.8 | 120.4 | -13.6 | 112.6 | E467 | E467-R469 IonicContact OE1-NH1 3.48Å; E467-R469 PolarHBondContact OE1-NH1 2.9Å |
| 470 | A | 27.2 | Very low | 29.7 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | | | trans | 76.8 | 154.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 471 | A | 28.7 | Very low | 30.1 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | cis | -169.9 | 162.3 | -26 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 472 | G | 27.8 | Very low | 30.3 | Very low | 78 Ų | 78 | 133.4 Ų | 133.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | trans | 84.3 | 158.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 473 | E | 30.7 | Very low | 30.8 | Very low | 194 Ų | 194 | 133 Ų | 133 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | | | cis | -146.1 | 179.1 | -4.7 | -147.9 | -169 | 164.5 | 0 | 0 | 110.5 | | |
| 474 | E | 35.3 | Very low | 31.7 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -143.2 | 127 | -156.9 | 51.3 | 177.2 | 93 | 0 | 0 | 115.4 | | |
| 475 | A | 35.8 | Very low | 31.6 | Very low | 97 Ų | 97 | 137.1 Ų | 137.1 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | | | trans | -173.4 | 152.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 476 | K | 33.4 | Very low | 31.9 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | cis | -156.7 | 121.9 | -23.4 | -103.2 | -165.3 | 176.2 | 170.7 | 0 | 106.7 | | |
| 477 | Q | 33.7 | Very low | 31.9 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 67% | 0.673 | 79% | 0.789 | S | S | * | * | | | | 91.5 | 119.8 | 85.5 | -77.8 | -177.9 | -2.3 | 0 | 0 | 117 | | |
| 478 | L | 29.8 | Very low | 32.4 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | | | trans | 59.3 | 163.4 | 136.4 | -78.1 | 83.9 | 0 | 0 | 0 | 122 | | |
| 479 | A | 28.2 | Very low | 33 | Very low | 76 Ų | 76 | 144.2 Ų | 144.2 | 63% | 0.628 | 79% | 0.791 | S | S | * | * | | | cis | -176.9 | 167.5 | -32.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 480 | R | 26.6 | Very low | 33 | Very low | 222 Ų | 222 | 140.1 Ų | 140.1 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | 66.7 | 114.3 | 154.6 | -76.6 | 177.2 | 172.3 | 133.4 | -1.8 | 121.7 | | |
| 481 | V | 33.8 | Very low | 33.5 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | | 38.3 | 122 | 108 | 179.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 482 | P | 34.4 | Very low | 33.7 | Very low | 126 Ų | 126 | 143 Ų | 143 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | | -151.7 | 179.1 | 74.5 | 41.9 | -22.6 | 0 | 0 | 0 | 118.7 | | |
| 483 | S | 38.1 | Very low | 33.7 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | | | trans | -113.5 | 141.3 | 166 | 174.9 | 0 | 0 | 0 | 0 | 107.2 | | |
| 484 | P | 49 | Very low | 33.7 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 76% | 0.755 | S | S | * | * | | | | -161.1 | 172.5 | 75.6 | 44.7 | -23.4 | 0 | 0 | 0 | 120.3 | | |
| 485 | Y | 26.5 | Very low | 33.6 | Very low | 220 Ų | 220 | 139.7 Ų | 139.7 | 86% | 0.863 | 75% | 0.754 | S | S | * | * | | | trans | 55 | 123.1 | 144.1 | -107.3 | -89.7 | 0 | 0 | 0 | 124.3 | | |
| 486 | V | 31.6 | Very low | 34 | Very low | 137 Ų | 137 | 141.1 Ų | 141.1 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | | | trans | -145.5 | 136 | 137.8 | 175.3 | 0 | 0 | 0 | 0 | 112 | | |
| 487 | R | 29.2 | Very low | 33.6 | Very low | 231 Ų | 231 | 140.7 Ų | 140.7 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | | | trans | -3.2 | 148.3 | 166.4 | -62.9 | -179.2 | 173.7 | -174.9 | -3 | 124.2 | | |
| 488 | T | 37.6 | Very low | 33.3 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | trans | -86.5 | 173.4 | 155.4 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 489 | P | 43.6 | Very low | 33.4 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 71% | 0.714 | 76% | 0.76 | S | S | * | * | | | | -146.7 | 149.4 | 109.7 | 44.5 | -30.2 | 0 | 0 | 0 | 114.2 | | |
| 490 | V | 33 | Very low | 33.3 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 80% | 0.8 | 77% | 0.767 | S | S | * | * | | | | 81.7 | 129.5 | 108.7 | 163.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 491 | V | 36.3 | Very low | 33.2 | Very low | 107 Ų | 107 | 133.7 Ų | 133.7 | 65% | 0.648 | 77% | 0.765 | S | S | * | * | | | cis | -164.2 | 145.5 | 1.8 | 101.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 492 | E | 33.4 | Very low | 33 | Very low | 149 Ų | 149 | 136.6 Ų | 136.6 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | | | trans | 50.2 | 162.4 | 144 | -76.5 | -172.3 | 81.5 | 0 | 0 | 124 | | |
| 493 | S | 28.7 | Very low | 32.9 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | | | cis | -156.2 | 171.2 | -4.7 | -126.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 494 | A | 29 | Very low | 32.8 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | | | cis | -148.3 | 138.9 | -7.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 495 | R | 34.8 | Very low | 32.1 | Very low | 217 Ų | 217 | 139 Ų | 139 | 82% | 0.819 | 76% | 0.755 | S | S | * | * | | | | 59 | 137.5 | 99.1 | -59.1 | -175.8 | -177.8 | 177.3 | 4.3 | 118.1 | | |
| 496 | P | 43.3 | Very low | 32.8 | Very low | 128 Ų | 128 | 131.9 Ų | 131.9 | 83% | 0.831 | 74% | 0.736 | S | S | * | * | | | trans | -85.6 | 146.9 | 158.4 | 35.5 | -32 | 0 | 0 | 0 | 111.9 | | |
| 497 | N | 24.5 | Very low | 33.1 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | | | trans | -157.8 | 177.9 | 156.3 | -158.3 | 7.8 | 0 | 0 | 0 | 111.6 | | |
| 498 | S | 28.9 | Very low | 33.2 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | | | trans | -91.2 | 170 | -158 | -50.9 | 0 | 0 | 0 | 0 | 116.1 | | |
| 499 | T | 30.5 | Very low | 32.8 | Very low | 132 Ų | 132 | 131.4 Ų | 131.4 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | | | trans | 95.1 | 131.6 | 153.3 | 71.4 | 0 | 0 | 0 | 0 | 121.3 | | |
| 500 | S | 26.6 | Very low | 31.9 | Very low | 110 Ų | 110 | 135.2 Ų | 135.2 | 77% | 0.769 | 74% | 0.742 | S | S | * | * | | | trans | 89.6 | 125.2 | 147.7 | 80.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 501 | S | 24.3 | Very low | 32.1 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | | | trans | 79.5 | 114.7 | 135.8 | -123.5 | 0 | 0 | 0 | 0 | 123.1 | | |
| 502 | R | 30.7 | Very low | 31.8 | Very low | 194 Ų | 194 | 134.1 Ų | 134.1 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | | | | 88.8 | 112.2 | 128.1 | -164.3 | 169.8 | -173.1 | 131 | 28.4 | 120.7 | | |
| 503 | E | 30.7 | Very low | 31.5 | Very low | 151 Ų | 151 | 137 Ų | 137 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | | | trans | 53.7 | 134.2 | 148.1 | -64.6 | 160.4 | -177.7 | 0 | 0 | 119.1 | | |
| 504 | A | 35.9 | Very low | 31.5 | Very low | 88 Ų | 88 | 140 Ų | 140 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | | | cis | -141 | 144.5 | 2.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 505 | E | 34.2 | Very low | 31.8 | Very low | 157 Ų | 157 | 143 Ų | 143 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | | 50.5 | 140.1 | 71.1 | -82.3 | -70.4 | 97.8 | 0 | 0 | 114.2 | | |
| 506 | P | 43 | Very low | 32.2 | Very low | 70 Ų | 70 | 137 Ų | 137 | 46% | 0.455 | 75% | 0.753 | S | S | . | * | | | cis | -132.6 | -171.6 | -42 | 27.5 | -3.9 | 0 | 0 | 0 | 110.3 | | |
| 507 | R | 37.2 | Very low | 31.6 | Very low | 217 Ų | 217 | 139.1 Ų | 139.1 | 82% | 0.819 | 75% | 0.749 | S | S | * | * | | | cis | -161.6 | 132.6 | 47.5 | -76.6 | -178 | 172.4 | 117.2 | 6.9 | 109 | | |
| 508 | K | 31.3 | Very low | 32.1 | Very low | 193 Ų | 193 | 140.4 Ų | 140.4 | 84% | 0.839 | 75% | 0.747 | S | S | * | * | | | | 62.7 | 133.1 | 84.7 | -63.4 | -171.7 | 178.6 | -172.7 | 0 | 114 | | |
| 509 | G | 29.8 | Very low | 32.2 | Very low | 76 Ų | 76 | 141.8 Ų | 141.8 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | | | cis | -164.5 | -162.9 | 8.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 510 | E | 24.5 | Very low | 32.1 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | | | trans | -76.8 | 165.6 | -163.2 | -90.8 | -159.4 | 122.9 | 0 | 0 | 117.5 | | |
| 511 | P | 37.6 | Very low | 32.4 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | -86.9 | 169.8 | 176.1 | 37.8 | -37.1 | 0 | 0 | 0 | 113.6 | | |
| 512 | A | 28.5 | Very low | 33 | Very low | 97 Ų | 97 | 146.1 Ų | 146.1 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -143.6 | 136 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 513 | Y | 28.1 | Very low | 33.3 | Very low | 209 Ų | 209 | 146.1 Ų | 146.1 | 82% | 0.82 | 77% | 0.771 | S | S | * | * | | | trans | 34.6 | 101.1 | 160.2 | -101 | -94.6 | 0 | 0 | 0 | 118.6 | | |
| 514 | E | 29 | Very low | 33.9 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | | | | 92.2 | 127.6 | 63.3 | -172.2 | 169.2 | -135.5 | 0 | 0 | 114.6 | | |
| 515 | N | 34.1 | Very low | 34.1 | Very low | 140 Ų | 140 | 151.2 Ų | 151.2 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | | | trans | -26.9 | 166.7 | 167.4 | -103.3 | -57 | 0 | 0 | 0 | 118.9 | | |
| 516 | P | 43.5 | Very low | 34.7 | Very low | 92 Ų | 92 | 152.5 Ų | 152.5 | 60% | 0.597 | 79% | 0.793 | S | S | * | * | | | cis | -145.7 | 156 | 10.8 | 36.9 | -15.8 | 0 | 0 | 0 | 119.7 | | |
| 517 | K | 31.5 | Very low | 34.6 | Very low | 171 Ų | 171 | 156 Ų | 156 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | | | | 164.3 | 113 | 114.8 | -87.4 | 151.8 | -169.4 | 163.5 | 0 | 114.9 | | |
| 518 | K | 35.1 | Very low | 34.5 | Very low | 187 Ų | 187 | 155.5 Ų | 155.5 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | 68.9 | 141.9 | 138.8 | -55.2 | 178.6 | -177.4 | -175.4 | 0 | 120.5 | | |
| 519 | S | 30.8 | Very low | 35 | Very low | 120 Ų | 120 | 154.2 Ų | 154.2 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | | | trans | 52.5 | 96 | 162.8 | 45.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 520 | S | 28.1 | Very low | 35.4 | Very low | 121 Ų | 121 | 157.5 Ų | 157.5 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 121.8 | 170.2 | 53.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 521 | E | 31.8 | Very low | 35.9 | Very low | 187 Ų | 187 | 154.9 Ų | 154.9 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 154.1 | 163.5 | -169 | 163.9 | -168.6 | 0 | 0 | 110.9 | | |
| 522 | V | 38.5 | Very low | 35.9 | Very low | 139 Ų | 139 | 156 Ų | 156 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 130.9 | -172.4 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 523 | K | 36.6 | Very low | 36 | Very low | 194 Ų | 194 | 157.8 Ų | 157.8 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -68 | 132 | -175.2 | -60.2 | 172 | -178.7 | 173.9 | 0 | 113.3 | | |
| 524 | V | 43.1 | Very low | 36.3 | Very low | 154 Ų | 154 | 154.5 Ų | 154.5 | 93% | 0.933 | 77% | 0.77 | S | S | * | * | | | trans | -124.2 | 148.2 | 136.6 | -178 | 0 | 0 | 0 | 0 | 107.1 | | |
| 525 | K | 40 | Very low | 36.6 | Very low | 193 Ų | 193 | 152.8 Ų | 152.8 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | -127.2 | 113.3 | -158.5 | 172.5 | -152.9 | 167.7 | -170 | 0 | 112.4 | | |
| 526 | E | 46.5 | Very low | 37.3 | Very low | 184 Ų | 184 | 152.2 Ų | 152.2 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -159.5 | 93.7 | 146.5 | -145.8 | 166.9 | 152 | 0 | 0 | 108.1 | | |
| 527 | E | 42.3 | Very low | 36.5 | Very low | 142 Ų | 142 | 157.1 Ų | 157.1 | 66% | 0.664 | 79% | 0.79 | S | S | * | * | | | | 88.3 | 135.3 | 100.3 | -145.5 | -143.4 | 105.4 | 0 | 0 | 115 | | |
| 528 | R | 34.8 | Very low | 36.4 | Very low | 207 Ų | 207 | 152.9 Ų | 152.9 | 78% | 0.781 | 79% | 0.787 | S | S | * | * | | | trans | 87.2 | 74.5 | 152.8 | -134.4 | 175.9 | -168 | 91.4 | -2.1 | 120.9 | | |
| 529 | K | 41.6 | Very low | 36.8 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | | 74.5 | 99.5 | 124.6 | -165.6 | 174.4 | -177.7 | -168.6 | 0 | 118.3 | D531 | K529-D531 WeakPolarHBondContact CE-OD2 3.39Å; K529-D531 IonicContact NZ-OD2 3.15Å; K529-D531 PolarHBondContact NZ-OD2 3.28Å |
| 530 | E | 38.6 | Very low | 36.9 | Very low | 146 Ų | 146 | 151.5 Ų | 151.5 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | | | trans | -70.6 | 156.9 | 149.1 | 174.3 | 175.5 | -133.2 | 0 | 0 | 112.3 | H532 | E530-H532 HydrophobicContact CG-CB 4.19Å; E530-H532 IonicContact OE1-CD2 2.7Å; E530-H532 PolarHBondContact OE1-CD2 2.92Å; E530-H532 VanDerWaalsContact OE1-CD2 3.26Å |
| 531 | D | 33.5 | Very low | 36.9 | Very low | 135 Ų | 135 | 149.9 Ų | 149.9 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | | | trans | -147.6 | 140 | 155 | -114.5 | -47.7 | 0 | 0 | 0 | 106.7 | K529 | K529-D531 WeakPolarHBondContact CE-OD2 3.39Å; K529-D531 IonicContact NZ-OD2 3.15Å; K529-D531 PolarHBondContact NZ-OD2 3.28Å |
| 532 | H | 37.6 | Very low | 36.8 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | | | trans | -150.9 | 141.9 | -154.4 | -158.5 | -10.7 | 0 | 0 | 0 | 109.7 | E530 | E530-H532 HydrophobicContact CG-CB 4.19Å; E530-H532 IonicContact OE1-CD2 2.7Å; E530-H532 PolarHBondContact OE1-CD2 2.92Å; E530-H532 VanDerWaalsContact OE1-CD2 3.26Å |
| 533 | D | 30.3 | Very low | 36.2 | Very low | 136 Ų | 136 | 152.9 Ų | 152.9 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | | | trans | -170.6 | 125.9 | 149.1 | -120 | -152.2 | 0 | 0 | 0 | 116.9 | | |
| 534 | L | 34.2 | Very low | 35.7 | Very low | 140 Ų | 140 | 147.8 Ų | 147.8 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | trans | 58 | -179.2 | 140.8 | -54.8 | 179.9 | 0 | 0 | 0 | 120.7 | | |
| 535 | P | 37.2 | Very low | 34.9 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | | -129.6 | -179.5 | -78.4 | 41.9 | -26.3 | 0 | 0 | 0 | 114.1 | | |
| 536 | P | 48.7 | Very low | 34.3 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | | | trans | -103.9 | 157.1 | -167.5 | 38.7 | -34.3 | 0 | 0 | 0 | 116.8 | | |
| 537 | E | 25.6 | Very low | 34.4 | Very low | 196 Ų | 196 | 141.6 Ų | 141.6 | 92% | 0.916 | 74% | 0.739 | S | S | * | * | | | trans | -150.3 | 160.9 | 164 | -146.4 | -168.2 | 123 | 0 | 0 | 113 | | |
| 538 | A | 28.8 | Very low | 35 | Very low | 81 Ų | 81 | 140.1 Ų | 140.1 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | | | trans | -164.1 | 166.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 539 | P | 45.2 | Very low | 35.9 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 72% | 0.721 | 74% | 0.739 | S | S | * | * | | | cis | -143.9 | -144.6 | 19.3 | 37 | -11.6 | 0 | 0 | 0 | 114.5 | | |
| 540 | Q | 31.5 | Very low | 36.6 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | 88 | 148.2 | 163 | -56.2 | -160 | 16.9 | 0 | 0 | 118.5 | | |
| 541 | T | 28 | Very low | 35.8 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 53% | 0.534 | 75% | 0.747 | S | S | . | * | | | cis | -165.8 | 170.1 | -9.3 | 24.7 | 0 | 0 | 0 | 0 | 113.9 | | |
| 542 | H | 29.4 | Very low | 35.7 | Very low | 165 Ų | 165 | 132.8 Ų | 132.8 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | | | trans | 87.1 | 154.8 | 153.1 | -50.3 | -57.2 | 0 | 0 | 0 | 121.7 | | |
| 543 | R | 27.4 | Very low | 35.4 | Very low | 223 Ų | 223 | 131.4 Ų | 131.4 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | | | cis | -176.6 | 119.9 | -37.2 | 178 | 172.5 | -175.5 | 163.8 | 3.6 | 113.7 | | |
| 544 | A | 26.2 | Very low | 35.4 | Very low | 87 Ų | 87 | 129.7 Ų | 129.7 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | | | trans | 51.1 | 177.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 545 | S | 26.3 | Very low | 35.1 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 76% | 0.757 | S | S | * | * | | | cis | -149.7 | -168.6 | 7.8 | -40 | 0 | 0 | 0 | 0 | 112.4 | | |
| 546 | E | 26.6 | Very low | 34.7 | Very low | 185 Ų | 185 | 128.8 Ų | 128.8 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | | | trans | -114 | -151.1 | -163.6 | -143.3 | -161.6 | 104.5 | 0 | 0 | 115.5 | | |
| 547 | P | 48.9 | Very low | 34.1 | Very low | 96 Ų | 96 | 131.3 Ų | 131.3 | 62% | 0.623 | 76% | 0.76 | S | S | * | * | | | trans | -120.1 | -142.1 | -141.5 | 44.1 | -21.5 | 0 | 0 | 0 | 112.8 | | |
| 548 | P | 55.3 | Low | 34.9 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 76% | 0.758 | S | S | * | * | | | cis | -124.3 | -127.3 | -20.7 | 32.5 | -6.8 | 0 | 0 | 0 | 110.3 | | |
| 549 | P | 52.8 | Low | 34.9 | Very low | 112 Ų | 112 | 127.9 Ų | 127.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | cis | -124.1 | -99.3 | -25.9 | 23.4 | 3.6 | 0 | 0 | 0 | 119 | | |
| 550 | P | 55.5 | Low | 35.7 | Very low | 106 Ų | 106 | 128.5 Ų | 128.5 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | | | trans | -141.6 | 161 | -132.3 | 43.9 | -23.7 | 0 | 0 | 0 | 121.5 | | |
| 551 | N | 23.5 | Very low | 35.7 | Very low | 163 Ų | 163 | 129.3 Ų | 129.3 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | | | trans | -177.9 | 176.5 | 134.4 | 51.1 | 26.1 | 0 | 0 | 0 | 114.1 | | |
| 552 | S | 30.1 | Very low | 35.9 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | | | trans | -140.8 | -175.8 | -165.9 | -46.6 | 0 | 0 | 0 | 0 | 111.1 | | |
| 553 | S | 32.2 | Very low | 35.7 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | cis | -166.6 | -158.5 | 19.2 | 54.6 | 0 | 0 | 0 | 0 | 108.7 | | |
| 554 | S | 29.3 | Very low | 35.9 | Very low | 101 Ų | 101 | 125 Ų | 125 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | cis | -167.5 | 170 | 4.1 | 60.6 | 0 | 0 | 0 | 0 | 112 | | |
| 555 | S | 27.6 | Very low | 36.7 | Very low | 103 Ų | 103 | 125.7 Ų | 125.7 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | | | trans | 71.3 | 161.1 | 146.1 | -134.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 556 | V | 29.9 | Very low | 37 | Very low | 130 Ų | 130 | 128.4 Ų | 128.4 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | | | cis | -147.6 | 168.2 | 12.6 | -148.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 557 | H | 35.1 | Very low | 37.1 | Very low | 180 Ų | 180 | 125.2 Ų | 125.2 | 83% | 0.833 | 78% | 0.781 | S | S | * | * | | | trans | -120.7 | 157.2 | 161.2 | -76.6 | -80.5 | 0 | 0 | 0 | 111.5 | | |
| 558 | P | 43.3 | Very low | 36.6 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | | | | -145.1 | -175 | 120.6 | 38.8 | -23.8 | 0 | 0 | 0 | 114.4 | | |
| 559 | G | 27.7 | Very low | 35.7 | Very low | 72 Ų | 72 | 125.1 Ų | 125.1 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | | | trans | -121.3 | -129.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 560 | P | 62.6 | Low | 34.5 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | | | | -127.4 | 162.1 | -120.7 | 40.4 | -27.3 | 0 | 0 | 0 | 117.1 | | |
| 561 | L | 31.7 | Very low | 33.4 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | | | trans | -152 | 170.6 | 157.6 | -83.3 | -169.7 | 0 | 0 | 0 | 111.4 | | |
| 562 | A | 31.6 | Very low | 33.7 | Very low | 103 Ų | 103 | 122.5 Ų | 122.5 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -133.7 | 154.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 563 | S | 26.6 | Very low | 33.9 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | -161.7 | 168.2 | 155.9 | -161.7 | 0 | 0 | 0 | 0 | 112.1 | | |
| 564 | M | 30.2 | Very low | 34.2 | Very low | 169 Ų | 169 | 127.9 Ų | 127.9 | 83% | 0.833 | 79% | 0.79 | S | S | * | * | | | trans | -139.4 | 178.8 | -176.7 | -79.4 | -75.1 | 156.2 | 0 | 0 | 108.5 | | |
| 565 | P | 44.7 | Very low | 35.1 | Very low | 100 Ų | 100 | 128.4 Ų | 128.4 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | cis | -127.3 | 170.2 | -36.9 | 35.8 | -21.7 | 0 | 0 | 0 | 112.3 | | |
| 566 | M | 31.3 | Very low | 35.1 | Very low | 178 Ų | 178 | 131.1 Ų | 131.1 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -150.8 | 98.7 | 147.5 | -91.4 | -50.9 | 173.5 | 0 | 0 | 112.8 | | |
| 567 | T | 28.5 | Very low | 35.1 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | | | trans | 5.5 | 117.8 | 144.8 | 55.8 | 0 | 0 | 0 | 0 | 121 | | |
| 568 | V | 39.7 | Very low | 34.9 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | | | | -133.7 | 133.8 | 127 | -177.1 | 0 | 0 | 0 | 0 | 107 | | |
| 569 | G | 35 | Very low | 34.7 | Very low | 62 Ų | 62 | 128.6 Ų | 128.6 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | | | trans | -77 | 157.1 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 570 | V | 29.6 | Very low | 34.9 | Very low | 130 Ų | 130 | 130.5 Ų | 130.5 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | | | cis | 66 | 116.6 | 27.3 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 571 | T | 30.7 | Very low | 33.7 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | cis | -161.7 | 166.5 | 0.3 | 11.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 572 | G | 30.5 | Very low | 34.1 | Very low | 62 Ų | 62 | 128.2 Ų | 128.2 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | | | trans | 163.2 | 107.2 | 151.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 573 | I | 33.4 | Very low | 34.2 | Very low | 166 Ų | 166 | 129 Ų | 129 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | | | | 60.5 | 127.8 | 73.6 | 86.9 | -177 | 0 | 0 | 0 | 115.3 | | |
| 574 | H | 40.4 | Very low | 34.7 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | -67.4 | 173 | 175.2 | -40.5 | -79 | 0 | 0 | 0 | 111.4 | | |
| 575 | P | 47.6 | Very low | 34.9 | Very low | 112 Ų | 112 | 131.2 Ų | 131.2 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | | | cis | -144.7 | -149.2 | 15.9 | 37.2 | -11.9 | 0 | 0 | 0 | 114.7 | | |
| 576 | M | 27.6 | Very low | 34.6 | Very low | 159 Ų | 159 | 136.2 Ų | 136.2 | 78% | 0.783 | 76% | 0.759 | S | S | * | * | | | trans | 89.9 | 113.3 | 151.7 | -86 | -177.7 | 74.7 | 0 | 0 | 122.8 | | |
| 577 | N | 28.6 | Very low | 34.5 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | | | | 90.3 | 139.9 | 119.1 | -152.5 | 26.3 | 0 | 0 | 0 | 121.7 | | |
| 578 | S | 32.4 | Very low | 34.6 | Very low | 86 Ų | 86 | 138.9 Ų | 138.9 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | | | trans | 27.6 | 116.5 | 154.3 | 63.6 | 0 | 0 | 0 | 0 | 121.2 | | |
| 579 | I | 38.3 | Very low | 34.6 | Very low | 174 Ų | 174 | 138.1 Ų | 138.1 | 89% | 0.892 | 76% | 0.761 | S | S | * | * | | | trans | -134.8 | 122.1 | 132 | 31.3 | 173.1 | 0 | 0 | 0 | 109.7 | | |
| 580 | S | 32.8 | Very low | 35.4 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -94.9 | 140 | 167.2 | -175.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 581 | S | 37 | Very low | 36.1 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | | | trans | -140.7 | 140.1 | 172.5 | 51.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 582 | L | 38.8 | Very low | 36.2 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | | | trans | -83.1 | 159.7 | -155.4 | -95.9 | 61.4 | 0 | 0 | 0 | 115.8 | | |
| 583 | D | 34.4 | Very low | 36.5 | Very low | 119 Ų | 119 | 147 Ų | 147 | 64% | 0.636 | 78% | 0.778 | S | S | * | * | | | trans | 45 | 119.1 | 143.8 | -72.4 | -64.1 | 0 | 0 | 0 | 121.8 | T585 | D583-T585 PolarHBondContact OD1-OG1 2.7Š|
| 584 | R | 38.2 | Very low | 36.4 | Very low | 249 Ų | 249 | 147.6 Ų | 147.6 | 94% | 0.94 | 78% | 0.781 | S | S | * | * | | | | -152.1 | 60.5 | 124.1 | -118.2 | 168 | -173.2 | 151.3 | 3.7 | 116 | | |
| 585 | T | 34 | Very low | 35.8 | Very low | 79 Ų | 79 | 144.3 Ų | 144.3 | 49% | 0.485 | 78% | 0.778 | S | S | . | * | | | | 47 | 111.1 | 117.1 | -51.1 | 0 | 0 | 0 | 0 | 120.3 | D583 | D583-T585 PolarHBondContact OD1-OG1 2.7Š|
| 586 | R | 37.8 | Very low | 35.6 | Very low | 206 Ų | 206 | 145 Ų | 145 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | | | trans | 74.8 | 152.8 | 157.9 | -61.7 | 168.5 | -149.9 | -87 | -2.6 | 115.7 | | |
| 587 | M | 29.4 | Very low | 36.1 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | | | cis | -116.9 | 168.8 | 21.5 | -62.5 | -71 | -171.5 | 0 | 0 | 115.1 | | |
| 588 | M | 30.9 | Very low | 36.6 | Very low | 169 Ų | 169 | 145 Ų | 145 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | | | trans | -99.1 | 159.6 | -174.8 | -74.2 | 155.9 | 52.4 | 0 | 0 | 114.2 | | |
| 589 | T | 39.7 | Very low | 36.5 | Very low | 128 Ų | 128 | 145 Ų | 145 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | trans | -74.9 | 164.6 | 157.9 | 52.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 590 | P | 51.8 | Low | 36.3 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | | | | -147.3 | -167.7 | 100 | 39.2 | -21.8 | 0 | 0 | 0 | 114.8 | | |
| 591 | F | 43.8 | Very low | 36.3 | Very low | 204 Ų | 204 | 142.6 Ų | 142.6 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | | | trans | -136.2 | 133.9 | -162.1 | -174.2 | -78.3 | 0 | 0 | 0 | 111 | | |
| 592 | M | 32.8 | Very low | 36.2 | Very low | 181 Ų | 181 | 146 Ų | 146 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | | | trans | -155.4 | 159.1 | 174.8 | -66.4 | -175.3 | 71.6 | 0 | 0 | 109.7 | | |
| 593 | G | 35.7 | Very low | 35.9 | Very low | 58 Ų | 58 | 148 Ų | 148 | 60% | 0.598 | 80% | 0.796 | S | S | * | * | | | cis | 150.9 | 119.1 | -8.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 594 | I | 32 | Very low | 36.1 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 91% | 0.908 | 80% | 0.798 | S | S | * | * | | | trans | 66.8 | 174 | 162.1 | 71.6 | 166.3 | 0 | 0 | 0 | 121.1 | | |
| 595 | S | 28.5 | Very low | 35.7 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | | | trans | -115.5 | -149.9 | -159 | -39.5 | 0 | 0 | 0 | 0 | 112.1 | | |
| 596 | P | 43.6 | Very low | 35.8 | Very low | 126 Ų | 126 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | | | | -114.1 | -165.6 | -55.6 | 37.7 | -22.7 | 0 | 0 | 0 | 113.2 | | |
| 597 | L | 36.5 | Very low | 35.5 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -64.2 | 156.5 | -175.1 | -66 | 168.6 | 0 | 0 | 0 | 116.3 | | |
| 598 | P | 39.3 | Very low | 35.8 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | | -150.2 | 139.8 | 107.6 | 37.1 | -20.5 | 0 | 0 | 0 | 117.9 | | |
| 599 | G | 31.6 | Very low | 36.3 | Very low | 85 Ų | 85 | 142.2 Ų | 142.2 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | trans | 68.8 | 146.4 | 152.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 600 | G | 33.2 | Very low | 36.3 | Very low | 77 Ų | 77 | 147.3 Ų | 147.3 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | cis | 142.8 | 83.7 | -20.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 601 | E | 32.2 | Very low | 35.7 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | | | trans | -141.8 | 140.6 | 161.7 | -78 | -141.3 | 129.4 | 0 | 0 | 113.8 | | |
| 602 | R | 35.4 | Very low | 36.1 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 72% | 0.717 | 77% | 0.77 | S | S | * | * | | | trans | 15.7 | 137.4 | 147.8 | -61.3 | 166.5 | -177.9 | 143.3 | -5.4 | 119 | | |
| 603 | F | 33.2 | Very low | 37.1 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | | | cis | -155.3 | -169.9 | 8.6 | -120.4 | -38.6 | 0 | 0 | 0 | 110.5 | | |
| 604 | P | 38 | Very low | 37.7 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | | | trans | -95.1 | 157.7 | -135.9 | 39.7 | -35.8 | 0 | 0 | 0 | 116.9 | | |
| 605 | Y | 30 | Very low | 38.3 | Very low | 223 Ų | 223 | 141.9 Ų | 141.9 | 88% | 0.875 | 75% | 0.753 | S | S | * | * | | | trans | -120.4 | 156.3 | 150.1 | -111.3 | -112 | 0 | 0 | 0 | 109.1 | | |
| 606 | P | 36 | Very low | 39.6 | Very low | 103 Ų | 103 | 142.6 Ų | 142.6 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | trans | -81.2 | 128.3 | -155.8 | 30.1 | -34.8 | 0 | 0 | 0 | 114.2 | F608 | P606-F608 PolarHBondContact O-N 3.21Š|
| 607 | S | 31.7 | Very low | 40.2 | Very low | 101 Ų | 101 | 144.1 Ų | 144.1 | 71% | 0.706 | 76% | 0.756 | S | S | * | * | | | trans | -73.9 | 118.2 | 164.6 | -55.3 | 0 | 0 | 0 | 0 | 110.2 | H609 | S607-H609 PolarHBondContact O-N 3.03Å; S607-H609 PolarHBondContact O-ND1 2.83Å |
| 608 | F | 35.7 | Very low | 41 | Very low | 204 Ų | 204 | 146 Ų | 146 | 90% | 0.895 | 75% | 0.751 | S | S | * | * | | | trans | -66.6 | 86.2 | 164.2 | -86.8 | -90.6 | 0 | 0 | 0 | 109.5 | P606 | P606-F608 PolarHBondContact O-N 3.21Š|
| 609 | H | 40.8 | Very low | 41.3 | Very low | 147 Ų | 147 | 144 Ų | 144 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | | | trans | -84.1 | 124.7 | 173 | 56 | -75.5 | 0 | 0 | 0 | 108.8 | S607 D611 | S607-H609 PolarHBondContact O-N 3.03Å; S607-H609 PolarHBondContact O-ND1 2.83Å; H609-D611 PolarHBondContact O-N 2.95Å |
| 610 | W | 40.9 | Very low | 42.1 | Very low | 234 Ų | 234 | 145.4 Ų | 145.4 | 89% | 0.886 | 73% | 0.727 | S | S | * | * | | | trans | -84 | 84.5 | 169.6 | 47.1 | -84.1 | 0 | 0 | 0 | 107.9 | | |
| 611 | D | 37.9 | Very low | 42.7 | Very low | 68 Ų | 68 | 150.7 Ų | 150.7 | 36% | 0.364 | 73% | 0.725 | S | S | . | * | | | trans | -110.4 | 102.1 | 168.7 | -175.3 | -2.9 | 0 | 0 | 0 | 109 | H609 I613 R614 | H609-D611 PolarHBondContact O-N 2.95Å; D611-I613 PolarHBondContact O-N 3.3Å; D611-I613 WeakPolarHBondContact OD1-CB 3.36Å; D611-I613 PolarHBondContact OD1-N 3.17Å; D611-I613 VanDerWaalsContact OD1-N 3.14Å; D611-R614 WeakPolarHBondContact OD2-CD 3.43Å; D611-R614 IonicContact OD2-NE 3.74Å |
| 612 | P | 53.4 | Low | 43.6 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 79% | 0.792 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -3.4 | -177.9 | -21.9 | 34.2 | 0 | 0 | 0 | 115.2 | | |
| 613 | I | 52.7 | Low | 44 | Very low | 151 Ų | 151 | 148.7 Ų | 148.7 | 77% | 0.774 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -2.8 | -163.3 | -53.5 | 178.3 | 0 | 0 | 0 | 112.2 | D611 | D611-I613 PolarHBondContact O-N 3.3Å; D611-I613 WeakPolarHBondContact OD1-CB 3.36Å; D611-I613 PolarHBondContact OD1-N 3.17Å; D611-I613 VanDerWaalsContact OD1-N 3.14Å |
| 614 | R | 49.3 | Very low | 44.7 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 76% | 0.758 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -124.3 | 1.1 | -167.4 | -71.5 | -173.2 | 173.6 | -87.8 | -1.5 | 118.6 | D611 | D611-R614 WeakPolarHBondContact OD2-CD 3.43Å; D611-R614 IonicContact OD2-NE 3.74Å |
| 615 | D | 45.3 | Very low | 45.2 | Very low | 97 Ų | 97 | 147.2 Ų | 147.2 | 52% | 0.519 | 71% | 0.71 | S | S | . | * | | | trans | -124.7 | 94.6 | 173.3 | -175.9 | 1.6 | 0 | 0 | 0 | 111.9 | L617 | D615-L617 VanDerWaalsContact C-N 3.28Å; D615-L617 PolarHBondContact O-N 2.94Å; D615-L617 PolarHBondContact OD1-N 2.94Å |
| 616 | P | 55.3 | Low | 46.2 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 81% | 0.805 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -6.5 | 178.9 | -17.3 | 32.5 | 0 | 0 | 0 | 115.2 | | |
| 617 | L | 55.3 | Low | 46.7 | Very low | 159 Ų | 159 | 146 Ų | 146 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 5.3 | -164.4 | -66.5 | 175.2 | 0 | 0 | 0 | 114.3 | D615 | D615-L617 VanDerWaalsContact C-N 3.28Å; D615-L617 PolarHBondContact O-N 2.94Å; D615-L617 PolarHBondContact OD1-N 2.94Å |
| 618 | R | 53.6 | Low | 47.2 | Very low | 205 Ų | 205 | 152.7 Ų | 152.7 | 77% | 0.774 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -107 | -7.4 | -165.2 | -134.8 | -177.1 | -175.5 | -72.4 | -3.1 | 117.6 | | |
| 619 | D | 45.1 | Very low | 47.5 | Very low | 83 Ų | 83 | 153.9 Ų | 153.9 | 44% | 0.444 | 72% | 0.715 | S | S | . | * | | | trans | -150.5 | 86.1 | 178.4 | -165 | -17.7 | 0 | 0 | 0 | 113.3 | Y621 R622 | D619-Y621 PolarHBondContact O-N 2.92Å; D619-Y621 PolarHBondContact OD1-N 3.48Å; D619-Y621 VanDerWaalsContact OD1-N 3.16Å; D619-R622 HydrophobicContact CB-CG 3.98Å; D619-R622 PolarHBondContact O-N 3.1Å; D619-R622 WeakPolarHBondContact OD2-CG 3.39Å; D619-R622 IonicContact OD2-NE 3.62Å |
| 620 | P | 48.6 | Very low | 47.2 | Very low | 114 Ų | 114 | 152.9 Ų | 152.9 | 74% | 0.74 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -0.4 | 178.4 | -21.5 | 34.2 | 0 | 0 | 0 | 115.7 | | |
| 621 | Y | 45.7 | Very low | 47.6 | Very low | 189 Ų | 189 | 147 Ų | 147 | 74% | 0.741 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 0.6 | -177.6 | -88.4 | -94.4 | 0 | 0 | 0 | 113.7 | D619 | D619-Y621 PolarHBondContact O-N 2.92Å; D619-Y621 PolarHBondContact OD1-N 3.48Å; D619-Y621 VanDerWaalsContact OD1-N 3.16Å |
| 622 | R | 52.3 | Low | 47.9 | Very low | 154 Ų | 154 | 150.6 Ų | 150.6 | 58% | 0.581 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -78.4 | -24.3 | -178 | -84.7 | -77 | 177.5 | 178.2 | 2.5 | 116 | D619 L624 | D619-R622 HydrophobicContact CB-CG 3.98Å; D619-R622 PolarHBondContact O-N 3.1Å; D619-R622 WeakPolarHBondContact OD2-CG 3.39Å; D619-R622 IonicContact OD2-NE 3.62Å; R622-L624 VanDerWaalsContact C-N 3.3Å; R622-L624 PolarHBondContact O-N 2.85Å |
| 623 | E | 42.4 | Very low | 47.5 | Very low | 153 Ų | 153 | 148.5 Ų | 148.5 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -69.2 | -27.3 | -173.3 | -60.8 | -172 | 137 | 0 | 0 | 113.2 | D625 | E623-D625 PolarHBondContact O-N 2.78Å |
| 624 | L | 49.3 | Very low | 47 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -72.1 | -24.7 | -176.5 | -69.6 | 170.6 | 0 | 0 | 0 | 114.5 | R622 | R622-L624 VanDerWaalsContact C-N 3.3Å; R622-L624 PolarHBondContact O-N 2.85Å |
| 625 | D | 48.3 | Very low | 46.6 | Very low | 117 Ų | 117 | 149.3 Ų | 149.3 | 63% | 0.626 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -83.6 | -25.4 | -179.3 | -168.7 | 42.5 | 0 | 0 | 0 | 112.2 | E623 | E623-D625 PolarHBondContact O-N 2.78Å |
| 626 | I | 50.7 | Low | 46.4 | Very low | 124 Ų | 124 | 154.7 Ų | 154.7 | 64% | 0.636 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -77.5 | -29.2 | -172.4 | -61.5 | 171.6 | 0 | 0 | 0 | 111.7 | R628 | I626-R628 PolarHBondContact O-N 2.79Å; I626-R628 VanDerWaalsContact O-N 3.13Å |
| 627 | H | 46.8 | Very low | 45.7 | Very low | 178 Ų | 178 | 156.7 Ų | 156.7 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | 4.5 | -177.1 | -92.5 | -80.8 | 0 | 0 | 0 | 115.9 | | |
| 628 | R | 41.9 | Very low | 44.9 | Very low | 241 Ų | 241 | 157.3 Ų | 157.3 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 9.1 | -179.2 | -108.8 | -170.1 | -172 | -152.3 | 4.8 | 116 | I626 | I626-R628 PolarHBondContact O-N 2.79Å; I626-R628 VanDerWaalsContact O-N 3.13Å |
| 629 | R | 42.5 | Very low | 44 | Very low | 229 Ų | 229 | 159.3 Ų | 159.3 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -112.7 | 133.5 | 169.2 | -72.2 | -167 | -179.8 | -163.2 | 1.3 | 111.9 | | |
| 630 | D | 34.7 | Very low | 43.3 | Very low | 125 Ų | 125 | 163 Ų | 163 | 67% | 0.668 | 78% | 0.782 | S | S | * | * | | | trans | -56.7 | 131.9 | 179.7 | -179.1 | 49 | 0 | 0 | 0 | 112.6 | L632 | D630-L632 PolarHBondContact O-N 2.78Š|
| 631 | P | 47.8 | Very low | 42.5 | Very low | 111 Ų | 111 | 164.5 Ų | 164.5 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -84.6 | 6.4 | -169.6 | 33 | -37.2 | 0 | 0 | 0 | 115.8 | G633 | P631-G633 VanDerWaalsContact C-N 3.33Å; P631-G633 PolarHBondContact O-N 3.14Å |
| 632 | L | 45 | Very low | 42.5 | Very low | 143 Ų | 143 | 160.7 Ų | 160.7 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | | | trans | -82.2 | 5.9 | -168.1 | -63 | 176.9 | 0 | 0 | 0 | 116.3 | D630 | D630-L632 PolarHBondContact O-N 2.78Š|
| 633 | G | 44.3 | Very low | 41.6 | Very low | 79 Ų | 79 | 160.5 Ų | 160.5 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -100.8 | 10.9 | -166.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | P631 | P631-G633 VanDerWaalsContact C-N 3.33Å; P631-G633 PolarHBondContact O-N 3.14Å |
| 634 | R | 42.1 | Very low | 41.5 | Very low | 226 Ų | 226 | 162.6 Ų | 162.6 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | | | trans | -113 | -6.8 | -156.5 | -127.7 | 171.1 | -179.9 | 145.9 | -0.1 | 118.7 | | |
| 635 | D | 41.4 | Very low | 40.8 | Very low | 142 Ų | 142 | 166 Ų | 166 | 76% | 0.759 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -103 | -1.2 | -165 | -57 | -51 | 0 | 0 | 0 | 116.3 | | |
| 636 | F | 40.5 | Very low | 40.1 | Very low | 211 Ų | 211 | 167.9 Ų | 167.9 | 93% | 0.925 | 81% | 0.814 | S | S | * | * | | | trans | -96 | 19.5 | -170.3 | -85.7 | -76.8 | 0 | 0 | 0 | 116.6 | | |
| 637 | L | 41.4 | Very low | 39.2 | Very low | 166 Ų | 166 | 167.8 Ų | 167.8 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -115.1 | 22.4 | -177.3 | -85.3 | 172.1 | 0 | 0 | 0 | 116 | | |
| 638 | L | 38.2 | Very low | 38.5 | Very low | 172 Ų | 172 | 165.5 Ų | 165.5 | 90% | 0.901 | 82% | 0.823 | S | S | * | * | | | trans | -136 | 80.5 | 169.2 | -80.7 | 99.9 | 0 | 0 | 0 | 114.1 | | |
| 639 | R | 34.6 | Very low | 38.4 | Very low | 246 Ų | 246 | 160.2 Ų | 160.2 | 93% | 0.928 | 82% | 0.82 | S | S | * | * | | | trans | -154.5 | 147.9 | 143.4 | -137.9 | 168.5 | -175.5 | 132.7 | 2.1 | 112.3 | | |
| 640 | N | 31 | Very low | 38.3 | Very low | 160 Ų | 160 | 158.7 Ų | 158.7 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | | | trans | -101.8 | 169.8 | 178.2 | -85.3 | -87.1 | 0 | 0 | 0 | 111.7 | | |
| 641 | D | 31.1 | Very low | 38.3 | Very low | 147 Ų | 147 | 160.8 Ų | 160.8 | 79% | 0.786 | 82% | 0.824 | S | S | * | * | | | trans | 98.3 | 137.4 | 152 | -143.4 | 57.4 | 0 | 0 | 0 | 118.3 | | |
| 642 | P | 46.8 | Very low | 37.7 | Very low | 108 Ų | 108 | 165.8 Ų | 165.8 | 70% | 0.701 | 83% | 0.83 | S | S | * | * | | | trans | -113.9 | 100 | -162.2 | 38.4 | -25.1 | 0 | 0 | 0 | 114.3 | | |
| 643 | L | 33.9 | Very low | 37.1 | Very low | 150 Ų | 150 | 165.3 Ų | 165.3 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | | | trans | -138.3 | 113 | 167 | -74.3 | 175.2 | 0 | 0 | 0 | 111.7 | | |
| 644 | H | 38.8 | Very low | 36.6 | Very low | 197 Ų | 197 | 165.3 Ų | 165.3 | 91% | 0.912 | 82% | 0.816 | S | S | * | * | | | | -159 | 147.9 | 116 | -113.2 | -79.9 | 0 | 0 | 0 | 111.4 | | |
| 645 | R | 34.5 | Very low | 36.3 | Very low | 215 Ų | 215 | 161.6 Ų | 161.6 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | | | trans | -133.6 | 157.9 | -168.4 | -158 | -174.5 | -164.5 | 172.1 | 4.8 | 108.2 | | |
| 646 | L | 34.2 | Very low | 35.9 | Very low | 155 Ų | 155 | 166.8 Ų | 166.8 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | | | trans | 73.9 | 106.6 | 167.8 | -46.4 | 174.6 | 0 | 0 | 0 | 117.2 | | |
| 647 | S | 30.9 | Very low | 35.5 | Very low | 123 Ų | 123 | 161.6 Ų | 161.6 | 86% | 0.86 | 81% | 0.813 | S | S | * | * | | | | -166.7 | 124.3 | 118.3 | 34.2 | 0 | 0 | 0 | 0 | 110.5 | | |
| 648 | T | 32.9 | Very low | 35.2 | Very low | 130 Ų | 130 | 162 Ų | 162 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | | | trans | -123.6 | 165.1 | 165.9 | 51.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 649 | P | 40.6 | Very low | 35.2 | Very low | 129 Ų | 129 | 165.8 Ų | 165.8 | 84% | 0.838 | 81% | 0.81 | S | S | * | * | | | | -130.9 | 157.9 | 108.2 | 36 | -29.3 | 0 | 0 | 0 | 113.9 | | |
| 650 | R | 38.9 | Very low | 35.3 | Very low | 198 Ų | 198 | 160.1 Ų | 160.1 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | trans | -81.3 | 160.1 | 172.3 | -70.7 | -83.5 | -159.5 | 112.8 | -1.2 | 110.7 | E653 | R650-E653 IonicContact NH1-OE2 3.04Å; R650-E653 PolarHBondContact NH1-OE2 3.45Å |
| 651 | L | 35.4 | Very low | 35.6 | Very low | 168 Ų | 168 | 163 Ų | 163 | 88% | 0.88 | 80% | 0.797 | S | S | * | * | | | trans | -152.1 | 117.1 | 134.3 | -111.7 | 178.4 | 0 | 0 | 0 | 113.1 | | |
| 652 | Y | 34.5 | Very low | 35.7 | Very low | 216 Ų | 216 | 162.6 Ų | 162.6 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | | | trans | 62.8 | 165.3 | 163.2 | -131.3 | -102.3 | 0 | 0 | 0 | 121.3 | | |
| 653 | E | 33.1 | Very low | 35.6 | Very low | 133 Ų | 133 | 162.9 Ų | 162.9 | 62% | 0.621 | 79% | 0.792 | S | S | * | * | | | trans | -160.9 | 167.6 | -150 | -159.8 | 169.9 | 133.5 | 0 | 0 | 111 | R650 | R650-E653 IonicContact NH1-OE2 3.04Å; R650-E653 PolarHBondContact NH1-OE2 3.45Å |
| 654 | A | 34.1 | Very low | 36 | Very low | 79 Ų | 79 | 163.1 Ų | 163.1 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | | | trans | 75.1 | 136.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 655 | D | 34.7 | Very low | 36.1 | Very low | 149 Ų | 149 | 161.2 Ų | 161.2 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | | | trans | 57 | 116.2 | 147.5 | -56.8 | -18.8 | 0 | 0 | 0 | 122.8 | | |
| 656 | R | 33.7 | Very low | 36.2 | Very low | 250 Ų | 250 | 161.9 Ų | 161.9 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | | | | -166.1 | 160.8 | 94.1 | -100.9 | 163.1 | -169.3 | -166.5 | 1.3 | 114.7 | | |
| 657 | S | 32.1 | Very low | 36.1 | Very low | 103 Ų | 103 | 158.8 Ų | 158.8 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | | | trans | -113.4 | 152.5 | -167.7 | 43.9 | 0 | 0 | 0 | 0 | 114 | | |
| 658 | F | 35.1 | Very low | 36.6 | Very low | 175 Ų | 175 | 160.8 Ų | 160.8 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | | | trans | 42.9 | 118.8 | 153.8 | -81 | -98.7 | 0 | 0 | 0 | 120.8 | | |
| 659 | R | 37.5 | Very low | 36.7 | Very low | 250 Ų | 250 | 163.5 Ų | 163.5 | 94% | 0.943 | 78% | 0.78 | S | S | * | * | | | trans | -142 | 109.3 | 148.2 | -87.2 | -67.8 | 173.1 | 150.2 | -3.2 | 110.9 | | |
| 660 | D | 37.5 | Very low | 36.4 | Very low | 128 Ų | 128 | 166 Ų | 166 | 68% | 0.684 | 78% | 0.78 | S | S | * | * | | | trans | -77.2 | 136.9 | 171.4 | -61.5 | -82.1 | 0 | 0 | 0 | 112.7 | | |
| 661 | R | 37.4 | Very low | 36.5 | Very low | 221 Ų | 221 | 165.1 Ų | 165.1 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -162.5 | 130.4 | 139.4 | -142.5 | 69.9 | -167 | 157.4 | 2.5 | 114.7 | | |
| 662 | E | 32.6 | Very low | 36.7 | Very low | 138 Ų | 138 | 164.6 Ų | 164.6 | 65% | 0.645 | 78% | 0.776 | S | S | * | * | | | trans | 65.7 | 131.7 | 151.7 | -129.7 | 149.6 | 128 | 0 | 0 | 121.8 | H664 | E662-H664 IonicContact OE1-CE1 3.56Š|
| 663 | P | 44.7 | Very low | 36.7 | Very low | 114 Ų | 114 | 163.4 Ų | 163.4 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | | | trans | -91.1 | 153.2 | 160.8 | 37.1 | -31.6 | 0 | 0 | 0 | 111.4 | | |
| 664 | H | 43.1 | Very low | 36.7 | Very low | 155 Ų | 155 | 165.6 Ų | 165.6 | 72% | 0.718 | 79% | 0.788 | S | S | * | * | | | trans | -127.7 | 122.2 | 169.6 | -79.7 | 1.7 | 0 | 0 | 0 | 111.1 | E662 | E662-H664 IonicContact OE1-CE1 3.56Š|
| 665 | D | 41.3 | Very low | 36.7 | Very low | 156 Ų | 156 | 170.8 Ų | 170.8 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | | | trans | -69.9 | 130.2 | 170.8 | -72.9 | -68.6 | 0 | 0 | 0 | 111.1 | | |
| 666 | Y | 35.9 | Very low | 37.2 | Very low | 230 Ų | 230 | 168.6 Ų | 168.6 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -141.7 | 98.7 | 154.6 | -91.7 | -71.4 | 0 | 0 | 0 | 110.8 | | |
| 667 | S | 31.9 | Very low | 37.6 | Very low | 89 Ų | 89 | 164.6 Ų | 164.6 | 62% | 0.622 | 79% | 0.788 | S | S | * | * | | | trans | -100 | 153.8 | 163.4 | -168.6 | 0 | 0 | 0 | 0 | 110.3 | | |
| 668 | H | 41.3 | Very low | 38.1 | Very low | 165 Ų | 165 | 165.6 Ų | 165.6 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | | | trans | 49.5 | 101.9 | 169.9 | -54.5 | -55.4 | 0 | 0 | 0 | 117.8 | | |
| 669 | H | 36.1 | Very low | 38.8 | Very low | 188 Ų | 188 | 162.1 Ų | 162.1 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | | | trans | -164.9 | 85.6 | 132 | -110.2 | 73.4 | 0 | 0 | 0 | 111.2 | | |
| 670 | H | 34 | Very low | 39 | Very low | 181 Ų | 181 | 154.5 Ų | 154.5 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | -161.3 | 81.4 | 155.9 | -114 | 64 | 0 | 0 | 0 | 110.9 | | |
| 671 | H | 39.7 | Very low | 39.8 | Very low | 179 Ų | 179 | 153.1 Ų | 153.1 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | | | trans | -109.6 | 155.1 | 149.6 | -114.1 | 43.5 | 0 | 0 | 0 | 107.1 | | |
| 672 | H | 40.3 | Very low | 40.5 | Very low | 158 Ų | 158 | 151.5 Ų | 151.5 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | | | trans | 67.5 | 90.4 | -168.2 | -51.5 | -78 | 0 | 0 | 0 | 115.3 | | |
| 673 | H | 33.8 | Very low | 41.5 | Very low | 191 Ų | 191 | 153.6 Ų | 153.6 | 88% | 0.884 | 76% | 0.76 | S | S | * | * | | | | -159.6 | 119.9 | 102.1 | -99.7 | -69.4 | 0 | 0 | 0 | 110.6 | | |
| 674 | H | 34.5 | Very low | 41.9 | Very low | 179 Ų | 179 | 154 Ų | 154 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | | | trans | -107.5 | 135.1 | 168.4 | -79.1 | -83.8 | 0 | 0 | 0 | 109.2 | | |
| 675 | H | 33 | Very low | 42.6 | Very low | 188 Ų | 188 | 154 Ų | 154 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | | | trans | -162.3 | 167.3 | 146.2 | -111.3 | -62.3 | 0 | 0 | 0 | 109 | | |
| 676 | P | 45.8 | Very low | 43.3 | Very low | 102 Ų | 102 | 152.8 Ų | 152.8 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | | | | -119.4 | 154.7 | -117.6 | 38.1 | -23.5 | 0 | 0 | 0 | 114 | | |
| 677 | L | 41.8 | Very low | 44.4 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 87% | 0.869 | 73% | 0.734 | S | S | * | * | | | trans | -108.6 | 141.1 | 157.3 | -66.3 | 178 | 0 | 0 | 0 | 108.7 | V679 | L677-V679 PolarHBondContact O-N 3.09Å; L677-V679 VanDerWaalsContact O-N 3.09Å |
| 678 | S | 43.6 | Very low | 46.1 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | | | trans | -53.6 | 110.3 | -167.9 | 52.7 | 0 | 0 | 0 | 0 | 113 | D680 | S678-D680 PolarHBondContact O-N 3.1Š|
| 679 | V | 49.6 | Very low | 47.5 | Very low | 102 Ų | 102 | 142 Ų | 142 | 62% | 0.618 | 70% | 0.699 | S | S | * | * | | | trans | -73.1 | 122.2 | 165.3 | -173.3 | 0 | 0 | 0 | 0 | 107.3 | L677 P681 E684 | L677-V679 PolarHBondContact O-N 3.09Å; L677-V679 VanDerWaalsContact O-N 3.09Å; V679-P681 WeakPolarHBondContact O-CD 3.2Å; V679-E684 HydrophobicContact CG1-CB 4.33Å |
| 680 | D | 42.1 | Very low | 49.2 | Very low | 90 Ų | 90 | 139.5 Ų | 139.5 | 48% | 0.481 | 69% | 0.687 | S | S | . | * | | | trans | -64.3 | 118 | 173.5 | -179.4 | -16.9 | 0 | 0 | 0 | 108.9 | S678 R682 R683 E684 | S678-D680 PolarHBondContact O-N 3.1Å; D680-R682 PolarHBondContact O-N 3.19Å; D680-R682 VanDerWaalsContact OD1-CB 3.28Å; D680-R682 WeakPolarHBondContact OD1-CB 3.28Å; D680-R682 PolarHBondContact OD1-N 2.85Å; D680-R683 HydrophobicContact CB-CB 4.18Å; D680-R683 WeakPolarHBondContact O-CA 3.48Å; D680-R683 WeakPolarHBondContact O-CB 3.39Å; D680-R683 PolarHBondContact O-N 3.3Å; D680-E684 PolarHBondContact O-N 2.23Å |
| 681 | P | 53.5 | Low | 51.2 | Low | 98 Ų | 98 | 135.6 Ų | 135.6 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -57.5 | -25.9 | -176.8 | -26.3 | 35.6 | 0 | 0 | 0 | 113.4 | V679 R683 E684 H685 | V679-P681 WeakPolarHBondContact O-CD 3.2Å; P681-R683 VanDerWaalsContact C-N 3.32Å; P681-E684 PolarHBondContact O-N 2.88Å; P681-H685 PolarHBondContact O-N 3.48Å; P681-H685 VanDerWaalsContact O-N 3.11Å |
| 682 | R | 52.2 | Low | 53.1 | Low | 188 Ų | 188 | 131.9 Ų | 131.9 | 71% | 0.709 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -65.7 | -37.8 | 174.9 | -165.3 | -178.4 | -170.6 | 95.7 | 8 | 111.9 | D680 E686 | D680-R682 PolarHBondContact O-N 3.19Å; D680-R682 VanDerWaalsContact OD1-CB 3.28Å; D680-R682 WeakPolarHBondContact OD1-CB 3.28Å; D680-R682 PolarHBondContact OD1-N 2.85Å; R682-E686 PolarHBondContact O-N 2.99Å |
| 683 | R | 52.8 | Low | 55 | Low | 181 Ų | 181 | 130.4 Ų | 130.4 | 68% | 0.683 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.7 | -26.1 | -179.9 | -156.6 | -176.1 | -151 | 118.1 | 4.7 | 112.4 | D680 P681 R687 | D680-R683 HydrophobicContact CB-CB 4.18Å; D680-R683 WeakPolarHBondContact O-CA 3.48Å; D680-R683 WeakPolarHBondContact O-CB 3.39Å; D680-R683 PolarHBondContact O-N 3.3Å; P681-R683 VanDerWaalsContact C-N 3.32Å; R683-R687 PolarHBondContact O-N 2.93Å |
| 684 | E | 54 | Low | 57.5 | Low | 124 Ų | 124 | 129.5 Ų | 129.5 | 58% | 0.579 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.8 | -44.6 | 170.5 | -176.3 | 168.1 | -142.1 | 0 | 0 | 111.2 | V679 D680 P681 E686 R687 G688 | V679-E684 HydrophobicContact CG1-CB 4.33Å; D680-E684 PolarHBondContact O-N 2.23Å; P681-E684 PolarHBondContact O-N 2.88Å; E684-E686 PolarHBondContact O-N 3.21Å; E684-R687 CarbonylContact O-C 3.54Å; E684-R687 WeakPolarHBondContact O-CA 3.19Å; E684-R687 WeakPolarHBondContact O-CB 3.4Å; E684-R687 PolarHBondContact O-N 3.06Å; E684-G688 PolarHBondContact O-N 3.08Å |
| 685 | H | 56.6 | Low | 59.9 | Low | 155 Ų | 155 | 127 Ų | 127 | 72% | 0.718 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -60.2 | -41.2 | 178.5 | -170.2 | 66.5 | 0 | 0 | 0 | 113.1 | P681 R687 G688 G689 | P681-H685 PolarHBondContact O-N 3.48Å; P681-H685 VanDerWaalsContact O-N 3.11Å; H685-R687 VanDerWaalsContact C-N 3.25Å; H685-R687 PolarHBondContact O-N 3.01Å; H685-G688 PolarHBondContact O-N 3.17Å; H685-G689 PolarHBondContact O-N 3.47Å |
| 686 | E | 57 | Low | 62.7 | Low | 129 Ų | 129 | 126.9 Ų | 126.9 | 60% | 0.603 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.2 | -28 | 172.8 | -69.7 | 175.9 | 167 | 0 | 0 | 112.7 | R682 E684 H690 | R682-E686 PolarHBondContact O-N 2.99Å; E684-E686 PolarHBondContact O-N 3.21Å; E686-H690 WeakPolarHBondContact O-CB 3.34Å; E686-H690 PolarHBondContact O-N 3.43Å |
| 687 | R | 59.2 | Low | 64.8 | Low | 195 Ų | 195 | 127.1 Ų | 127.1 | 74% | 0.736 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -80.9 | -36.8 | 177.5 | -140.9 | -179.5 | -166.6 | -154.3 | 2.9 | 112.4 | R683 E684 H685 L691 | R683-R687 PolarHBondContact O-N 2.93Å; E684-R687 CarbonylContact O-C 3.54Å; E684-R687 WeakPolarHBondContact O-CA 3.19Å; E684-R687 WeakPolarHBondContact O-CB 3.4Å; E684-R687 PolarHBondContact O-N 3.06Å; H685-R687 VanDerWaalsContact C-N 3.25Å; H685-R687 PolarHBondContact O-N 3.01Å; R687-L691 WeakPolarHBondContact O-CG 3.43Å; R687-L691 PolarHBondContact O-N 3.23Å; R687-L691 VanDerWaalsContact O-N 3.1Å |
| 688 | G | 66.4 | Low | 66.9 | Low | 27 Ų | 27 | 124 Ų | 124 | 28% | 0.278 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -59.1 | -59.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | E684 H685 H690 L691 D692 | E684-G688 PolarHBondContact O-N 3.08Å; H685-G688 PolarHBondContact O-N 3.17Å; G688-H690 PolarHBondContact O-N 3.44Å; G688-H690 VanDerWaalsContact O-N 3.1Å; G688-L691 CarbonylContact O-C 3.5Å; G688-L691 WeakPolarHBondContact O-CA 3.44Å; G688-L691 WeakPolarHBondContact O-CB 3.17Å; G688-L691 PolarHBondContact O-N 3.05Å; G688-D692 VanDerWaalsContact O-CG 3.26Å; G688-D692 PolarHBondContact O-N 3.24Å; G688-D692 VanDerWaalsContact O-OD2 3.06Å |
| 689 | G | 72.1 | Confident | 68.9 | Low | 36 Ų | 36 | 122.9 Ų | 122.9 | 37% | 0.371 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -55.7 | -33.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | H685 D692 E693 | H685-G689 PolarHBondContact O-N 3.47Å; G689-D692 PolarHBondContact N-OD2 2.77Å; G689-E693 WeakPolarHBondContact O-CB 3.3Å; G689-E693 PolarHBondContact O-N 2.82Å |
| 690 | H | 70.4 | Confident | 70.9 | Confident | 135 Ų | 135 | 123.5 Ų | 123.5 | 63% | 0.625 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.2 | -28.5 | 173.1 | -173.6 | -54.6 | 0 | 0 | 0 | 113 | E686 G688 R694 | E686-H690 WeakPolarHBondContact O-CB 3.34Å; E686-H690 PolarHBondContact O-N 3.43Å; G688-H690 PolarHBondContact O-N 3.44Å; G688-H690 VanDerWaalsContact O-N 3.1Å; H690-R694 WeakPolarHBondContact O-CB 3.42Å; H690-R694 PolarHBondContact O-N 2.75Å; H690-R694 VanDerWaalsContact O-N 3.09Å |
| 691 | L | 76.4 | Confident | 73 | Confident | 99 Ų | 99 | 127.8 Ų | 127.8 | 52% | 0.518 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -74.8 | -45.1 | 170.5 | -73.5 | 167.9 | 0 | 0 | 0 | 110.8 | R687 G688 E693 R694 E695 | R687-L691 WeakPolarHBondContact O-CG 3.43Å; R687-L691 PolarHBondContact O-N 3.23Å; R687-L691 VanDerWaalsContact O-N 3.1Å; G688-L691 CarbonylContact O-C 3.5Å; G688-L691 WeakPolarHBondContact O-CA 3.44Å; G688-L691 WeakPolarHBondContact O-CB 3.17Å; G688-L691 PolarHBondContact O-N 3.05Å; L691-E693 VanDerWaalsContact C-N 3.35Å; L691-E693 PolarHBondContact O-N 2.98Å; L691-R694 CarbonylContact O-C 3.56Å; L691-R694 WeakPolarHBondContact O-CB 3.5Å; L691-R694 PolarHBondContact O-N 2.91Å; L691-R694 VanDerWaalsContact O-N 3.14Å; L691-E695 WeakPolarHBondContact O-CB 3.19Å; L691-E695 PolarHBondContact O-N 3.33Å |
| 692 | D | 79.5 | Confident | 74.4 | Confident | 102 Ų | 102 | 126.9 Ų | 126.9 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.9 | -42.4 | 175.1 | -57.7 | -44.7 | 0 | 0 | 0 | 111.4 | G688 G689 E695 R696 | G688-D692 VanDerWaalsContact O-CG 3.26Å; G688-D692 PolarHBondContact O-N 3.24Å; G688-D692 VanDerWaalsContact O-OD2 3.06Å; G689-D692 PolarHBondContact N-OD2 2.77Å; D692-E695 PolarHBondContact O-N 3.43Å; D692-R696 WeakPolarHBondContact O-CB 3.48Å; D692-R696 PolarHBondContact O-N 2.89Å |
| 693 | E | 80.4 | Confident | 75.7 | Confident | 126 Ų | 126 | 122.3 Ų | 122.3 | 59% | 0.589 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.8 | -34.6 | 175.2 | -174.8 | 163.2 | -132 | 0 | 0 | 111.9 | G689 L691 L697 | G689-E693 WeakPolarHBondContact O-CB 3.3Å; G689-E693 PolarHBondContact O-N 2.82Å; L691-E693 VanDerWaalsContact C-N 3.35Å; L691-E693 PolarHBondContact O-N 2.98Å; E693-L697 HydrophobicContact CG-CD1 4.16Å; E693-L697 VanDerWaalsContact O-CB 3.32Å; E693-L697 WeakPolarHBondContact O-CB 3.26Å; E693-L697 WeakPolarHBondContact O-CG 3.38Å; E693-L697 PolarHBondContact O-N 3.1Å |
| 694 | R | 85.9 | Confident | 77.1 | Confident | 173 Ų | 173 | 121 Ų | 121 | 65% | 0.653 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.5 | -41.3 | 172.3 | 177.8 | -179.3 | 177.5 | -177.3 | -1.5 | 111.6 | H690 L691 L697 H698 | H690-R694 WeakPolarHBondContact O-CB 3.42Å; H690-R694 PolarHBondContact O-N 2.75Å; H690-R694 VanDerWaalsContact O-N 3.09Å; L691-R694 CarbonylContact O-C 3.56Å; L691-R694 WeakPolarHBondContact O-CB 3.5Å; L691-R694 PolarHBondContact O-N 2.91Å; L691-R694 VanDerWaalsContact O-N 3.14Å; R694-L697 PolarHBondContact O-N 3.33Å; R694-H698 WeakPolarHBondContact O-CB 3.2Å; R694-H698 PolarHBondContact O-N 2.72Å |
| 695 | E | 86.5 | Confident | 78.1 | Confident | 126 Ų | 126 | 118.4 Ų | 118.4 | 59% | 0.589 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.5 | -43.9 | 176.5 | -173.9 | 168.6 | 170.3 | 0 | 0 | 110.6 | L691 D692 L697 H698 M699 | L691-E695 WeakPolarHBondContact O-CB 3.19Å; L691-E695 PolarHBondContact O-N 3.33Å; D692-E695 PolarHBondContact O-N 3.43Å; E695-L697 VanDerWaalsContact C-N 3.3Å; E695-L697 PolarHBondContact O-N 3.4Å; E695-H698 CarbonylContact O-C 3.53Å; E695-H698 WeakPolarHBondContact O-CA 3.32Å; E695-H698 VanDerWaalsContact O-CB 3.26Å; E695-H698 WeakPolarHBondContact O-CB 3.27Å; E695-H698 PolarHBondContact O-N 3.36Å; E695-M699 WeakPolarHBondContact O-CG 3.45Å; E695-M699 PolarHBondContact O-N 3.13Å |
| 696 | R | 90.8 | Very high | 78.8 | Confident | 186 Ų | 186 | 115.7 Ų | 115.7 | 70% | 0.702 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.8 | -39.1 | 171.5 | -179.4 | 177.6 | 177.2 | 73.8 | 5.3 | 112.9 | D692 H698 L700 | D692-R696 WeakPolarHBondContact O-CB 3.48Å; D692-R696 PolarHBondContact O-N 2.89Å; R696-H698 VanDerWaalsContact C-N 3.35Å; R696-L700 VanDerWaalsContact O-CB 3.27Å; R696-L700 WeakPolarHBondContact O-CB 3.42Å; R696-L700 PolarHBondContact O-N 3.3Å |
| 697 | L | 89.1 | Confident | 79.2 | Confident | 106 Ų | 106 | 114.3 Ų | 114.3 | 56% | 0.555 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -74.8 | -23.8 | 174.1 | -72.9 | 169.8 | 0 | 0 | 0 | 113 | E693 R694 E695 R701 | E693-L697 HydrophobicContact CG-CD1 4.16Å; E693-L697 VanDerWaalsContact O-CB 3.32Å; E693-L697 WeakPolarHBondContact O-CB 3.26Å; E693-L697 WeakPolarHBondContact O-CG 3.38Å; E693-L697 PolarHBondContact O-N 3.1Å; R694-L697 PolarHBondContact O-N 3.33Å; E695-L697 VanDerWaalsContact C-N 3.3Å; E695-L697 PolarHBondContact O-N 3.4Å; L697-R701 PolarHBondContact O-N 3.03Å |
| 698 | H | 86.4 | Confident | 79.6 | Confident | 101 Ų | 101 | 111.9 Ų | 111.9 | 47% | 0.468 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.1 | -54.6 | 170.9 | -158 | -91 | 0 | 0 | 0 | 109.7 | R694 E695 R696 L700 R701 E702 | R694-H698 WeakPolarHBondContact O-CB 3.2Å; R694-H698 PolarHBondContact O-N 2.72Å; E695-H698 CarbonylContact O-C 3.53Å; E695-H698 WeakPolarHBondContact O-CA 3.32Å; E695-H698 VanDerWaalsContact O-CB 3.26Å; E695-H698 WeakPolarHBondContact O-CB 3.27Å; E695-H698 PolarHBondContact O-N 3.36Å; R696-H698 VanDerWaalsContact C-N 3.35Å; H698-L700 VanDerWaalsContact C-N 3.32Å; H698-L700 PolarHBondContact O-N 2.82Å; H698-R701 CarbonylContact O-C 3.54Å; H698-R701 WeakPolarHBondContact O-CA 3.35Å; H698-R701 WeakPolarHBondContact O-CB 3.41Å; H698-R701 PolarHBondContact O-N 3.44Å; H698-E702 VanDerWaalsContact C-OE2 3.31Å; H698-E702 VanDerWaalsContact CE1-CD 3.43Å; H698-E702 IonicContact CE1-OE1 2.65Å; H698-E702 PolarHBondContact CE1-OE1 3.3Å; H698-E702 IonicContact CE1-OE2 3.14Å; H698-E702 IonicContact CG-OE2 3.91Å; H698-E702 IonicContact ND1-OE1 3.91Å; H698-E702 PolarHBondContact ND1-OE1 2.87Å; H698-E702 VanDerWaalsContact ND1-OE1 3.13Å; H698-E702 IonicContact ND1-OE2 3.77Å; H698-E702 PolarHBondContact ND1-OE2 2.94Å; H698-E702 WeakPolarHBondContact O-CG 3.4Å; H698-E702 PolarHBondContact O-N 3.3Å |
| 699 | M | 86.6 | Confident | 79.1 | Confident | 102 Ų | 102 | 115.7 Ų | 115.7 | 50% | 0.502 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -53.3 | -44.8 | 173.2 | -70.8 | -174.3 | 72.3 | 0 | 0 | 112.2 | E695 R701 E702 D703 | E695-M699 WeakPolarHBondContact O-CG 3.45Å; E695-M699 PolarHBondContact O-N 3.13Å; M699-R701 PolarHBondContact O-N 3.37Å; M699-E702 PolarHBondContact N-OE2 3.37Å; M699-E702 CarbonylContact O-C 3.54Å; M699-E702 PolarHBondContact O-N 2.74Å; M699-E702 VanDerWaalsContact O-N 3.11Å; M699-D703 WeakPolarHBondContact O-CB 3.42Å; M699-D703 PolarHBondContact O-N 3.11Å |
| 700 | L | 90.1 | Very high | 78.2 | Confident | 114 Ų | 114 | 120.9 Ų | 120.9 | 60% | 0.597 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.9 | -26.4 | 179.2 | -171.7 | 64.3 | 0 | 0 | 0 | 112.9 | R696 H698 Y704 | R696-L700 VanDerWaalsContact O-CB 3.27Å; R696-L700 WeakPolarHBondContact O-CB 3.42Å; R696-L700 PolarHBondContact O-N 3.3Å; H698-L700 VanDerWaalsContact C-N 3.32Å; H698-L700 PolarHBondContact O-N 2.82Å; L700-Y704 WeakPolarHBondContact O-CB 3.38Å; L700-Y704 PolarHBondContact O-N 2.96Å |
| 701 | R | 87.8 | Confident | 77.4 | Confident | 181 Ų | 181 | 119.4 Ų | 119.4 | 68% | 0.683 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -77.5 | -39.2 | 170.2 | 174.3 | 179.3 | -65.8 | 176.3 | 0.3 | 111.3 | L697 H698 M699 Y704 E705 | L697-R701 PolarHBondContact O-N 3.03Å; H698-R701 CarbonylContact O-C 3.54Å; H698-R701 WeakPolarHBondContact O-CA 3.35Å; H698-R701 WeakPolarHBondContact O-CB 3.41Å; H698-R701 PolarHBondContact O-N 3.44Å; M699-R701 PolarHBondContact O-N 3.37Å; R701-Y704 PolarHBondContact O-N 3.34Å; R701-E705 PolarHBondContact O-N 2.94Å |
| 702 | E | 82.7 | Confident | 76.4 | Confident | 79 Ų | 79 | 119.5 Ų | 119.5 | 37% | 0.369 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -47.2 | 176.4 | -72.3 | 166.9 | 133.7 | 0 | 0 | 110.5 | H698 M699 Y704 E705 H706 | H698-E702 VanDerWaalsContact C-OE2 3.31Å; H698-E702 VanDerWaalsContact CE1-CD 3.43Å; H698-E702 IonicContact CE1-OE1 2.65Å; H698-E702 PolarHBondContact CE1-OE1 3.3Å; H698-E702 IonicContact CE1-OE2 3.14Å; H698-E702 IonicContact CG-OE2 3.91Å; H698-E702 IonicContact ND1-OE1 3.91Å; H698-E702 PolarHBondContact ND1-OE1 2.87Å; H698-E702 VanDerWaalsContact ND1-OE1 3.13Å; H698-E702 IonicContact ND1-OE2 3.77Å; H698-E702 PolarHBondContact ND1-OE2 2.94Å; H698-E702 WeakPolarHBondContact O-CG 3.4Å; H698-E702 PolarHBondContact O-N 3.3Å; M699-E702 PolarHBondContact N-OE2 3.37Å; M699-E702 CarbonylContact O-C 3.54Å; M699-E702 PolarHBondContact O-N 2.74Å; M699-E702 VanDerWaalsContact O-N 3.11Å; E702-Y704 VanDerWaalsContact C-N 3.27Å; E702-Y704 PolarHBondContact O-N 3.15Å; E702-E705 CarbonylContact O-C 3.56Å; E702-E705 PolarHBondContact O-N 2.68Å; E702-H706 VanDerWaalsContact O-CB 3.25Å; E702-H706 WeakPolarHBondContact O-CB 3.17Å; E702-H706 PolarHBondContact O-CD2 3.25Å; E702-H706 PolarHBondContact O-N 2.7Å |
| 703 | D | 79.6 | Confident | 74.4 | Confident | 91 Ų | 91 | 122.3 Ų | 122.3 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -56.9 | -39.2 | 172.6 | -78 | -26.1 | 0 | 0 | 0 | 112.2 | M699 T707 | M699-D703 WeakPolarHBondContact O-CB 3.42Å; M699-D703 PolarHBondContact O-N 3.11Å; D703-T707 VanDerWaalsContact O-CB 3.25Å; D703-T707 WeakPolarHBondContact O-CB 3.25Å; D703-T707 PolarHBondContact O-N 3.21Å; D703-T707 PolarHBondContact O-OG1 3.44Å |
| 704 | Y | 81.7 | Confident | 72.5 | Confident | 155 Ų | 155 | 121.6 Ų | 121.6 | 61% | 0.608 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.9 | -47.1 | 175.5 | -179.9 | -95.1 | 0 | 0 | 0 | 111.6 | L700 R701 E702 R708 | L700-Y704 WeakPolarHBondContact O-CB 3.38Å; L700-Y704 PolarHBondContact O-N 2.96Å; R701-Y704 PolarHBondContact O-N 3.34Å; E702-Y704 VanDerWaalsContact C-N 3.27Å; E702-Y704 PolarHBondContact O-N 3.15Å; Y704-R708 WeakPolarHBondContact O-CB 2.9Å; Y704-R708 PolarHBondContact O-N 3.08Å |
| 705 | E | 75.2 | Confident | 70.2 | Confident | 69 Ų | 69 | 118.7 Ų | 118.7 | 32% | 0.322 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.6 | -35.6 | 176.6 | -69.3 | -60.8 | 155 | 0 | 0 | 112.5 | R701 E702 R708 L709 | R701-E705 PolarHBondContact O-N 2.94Å; E702-E705 CarbonylContact O-C 3.56Å; E702-E705 PolarHBondContact O-N 2.68Å; E705-R708 CarbonylContact O-C 3.5Å; E705-R708 WeakPolarHBondContact O-CB 3.25Å; E705-R708 PolarHBondContact O-N 3.17Å; E705-R708 IonicContact OE1-NH1 3.99Å; E705-R708 WeakPolarHBondContact OE2-CD 3.21Å; E705-R708 IonicContact OE2-CZ 2.66Å; E705-R708 IonicContact OE2-NE 3.26Å; E705-R708 IonicContact OE2-NH1 2.83Å; E705-R708 PolarHBondContact OE2-NH1 2.66Å; E705-L709 WeakPolarHBondContact O-CB 3.49Å; E705-L709 WeakPolarHBondContact O-CD1 3.35Å; E705-L709 WeakPolarHBondContact O-CG 3.48Å; E705-L709 PolarHBondContact O-N 3.32Å |
| 706 | H | 70.9 | Confident | 67.9 | Low | 97 Ų | 97 | 117.6 Ų | 117.6 | 45% | 0.449 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.2 | -46.8 | 172.7 | -81.8 | -63.6 | 0 | 0 | 0 | 110.8 | E702 R708 L709 H710 | E702-H706 VanDerWaalsContact O-CB 3.25Å; E702-H706 WeakPolarHBondContact O-CB 3.17Å; E702-H706 PolarHBondContact O-CD2 3.25Å; E702-H706 PolarHBondContact O-N 2.7Å; H706-R708 VanDerWaalsContact C-N 3.28Å; H706-R708 PolarHBondContact O-N 2.86Å; H706-L709 PolarHBondContact O-N 2.77Å; H706-H710 WeakPolarHBondContact O-CB 3.32Å; H706-H710 PolarHBondContact O-CD2 2.8Å; H706-H710 PolarHBondContact O-N 3.09Å |
| 707 | T | 65.6 | Low | 65.6 | Low | 100 Ų | 100 | 117.2 Ų | 117.2 | 61% | 0.613 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -59.7 | -41.9 | 173.8 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | D703 L709 S711 | D703-T707 VanDerWaalsContact O-CB 3.25Å; D703-T707 WeakPolarHBondContact O-CB 3.25Å; D703-T707 PolarHBondContact O-N 3.21Å; D703-T707 PolarHBondContact O-OG1 3.44Å; T707-L709 PolarHBondContact O-N 2.96Å; T707-S711 VanDerWaalsContact O-CB 3.3Å; T707-S711 WeakPolarHBondContact O-CB 3.48Å; T707-S711 PolarHBondContact O-N 2.68Å |
| 708 | R | 67.6 | Low | 63.1 | Low | 145 Ų | 145 | 120.1 Ų | 120.1 | 55% | 0.547 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.3 | -30.1 | 177.2 | -179.5 | 173.5 | 171 | -93.7 | -9.9 | 113.5 | Y704 E705 H706 V712 | Y704-R708 WeakPolarHBondContact O-CB 2.9Å; Y704-R708 PolarHBondContact O-N 3.08Å; E705-R708 CarbonylContact O-C 3.5Å; E705-R708 WeakPolarHBondContact O-CB 3.25Å; E705-R708 PolarHBondContact O-N 3.17Å; E705-R708 IonicContact OE1-NH1 3.99Å; E705-R708 WeakPolarHBondContact OE2-CD 3.21Å; E705-R708 IonicContact OE2-CZ 2.66Å; E705-R708 IonicContact OE2-NE 3.26Å; E705-R708 IonicContact OE2-NH1 2.83Å; E705-R708 PolarHBondContact OE2-NH1 2.66Å; H706-R708 VanDerWaalsContact C-N 3.28Å; H706-R708 PolarHBondContact O-N 2.86Å; R708-V712 VanDerWaalsContact O-CG2 3.22Å; R708-V712 WeakPolarHBondContact O-CG2 3.3Å |
| 709 | L | 56.5 | Low | 60.7 | Low | 106 Ų | 106 | 117.5 Ų | 117.5 | 56% | 0.555 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -83.7 | -43.5 | 176.7 | -72.3 | 165.8 | 0 | 0 | 0 | 112 | E705 H706 T707 S711 V712 | E705-L709 WeakPolarHBondContact O-CB 3.49Å; E705-L709 WeakPolarHBondContact O-CD1 3.35Å; E705-L709 WeakPolarHBondContact O-CG 3.48Å; E705-L709 PolarHBondContact O-N 3.32Å; H706-L709 PolarHBondContact O-N 2.77Å; T707-L709 PolarHBondContact O-N 2.96Å; L709-S711 PolarHBondContact O-N 3.44Å; L709-V712 PolarHBondContact O-N 3.3Å |
| 710 | H | 53.5 | Low | 58.2 | Low | 146 Ų | 146 | 122.3 Ų | 122.3 | 68% | 0.676 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.3 | -25.8 | 175.5 | -74.3 | -61.9 | 0 | 0 | 0 | 112.5 | H706 V712 | H706-H710 WeakPolarHBondContact O-CB 3.32Å; H706-H710 PolarHBondContact O-CD2 2.8Å; H706-H710 PolarHBondContact O-N 3.09Å; H710-V712 PolarHBondContact O-N 3.19Å |
| 711 | S | 52.8 | Low | 55.8 | Low | 103 Ų | 103 | 123.4 Ų | 123.4 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -3.2 | 171.3 | -171.9 | 0 | 0 | 0 | 0 | 114.6 | T707 L709 | T707-S711 VanDerWaalsContact O-CB 3.3Å; T707-S711 WeakPolarHBondContact O-CB 3.48Å; T707-S711 PolarHBondContact O-N 2.68Å; L709-S711 PolarHBondContact O-N 3.44Å |
| 712 | V | 54.8 | Low | 53.8 | Low | 102 Ų | 102 | 120.6 Ų | 120.6 | 62% | 0.618 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -7.4 | -169.7 | 175.1 | 0 | 0 | 0 | 0 | 113.8 | R708 L709 H710 | R708-V712 VanDerWaalsContact O-CG2 3.22Å; R708-V712 WeakPolarHBondContact O-CG2 3.3Å; L709-V712 PolarHBondContact O-N 3.3Å; H710-V712 PolarHBondContact O-N 3.19Å |
| 713 | H | 38.4 | Very low | 51.6 | Low | 160 Ų | 160 | 124.9 Ų | 124.9 | 74% | 0.741 | 68% | 0.678 | S | S | * | * | | | trans | -125.4 | 112.7 | 173 | -90.6 | -81.2 | 0 | 0 | 0 | 112.9 | | |
| 714 | P | 39.6 | Very low | 50.1 | Low | 111 Ų | 111 | 126.2 Ų | 126.2 | 72% | 0.721 | 69% | 0.692 | S | S | * | * | | | trans | -69.2 | 133.8 | 160.1 | 30.4 | -32.1 | 0 | 0 | 0 | 109.2 | S716 | P714-S716 PolarHBondContact O-N 3.39Š|
| 715 | A | 38.7 | Very low | 47.6 | Very low | 113 Ų | 113 | 124 Ų | 124 | 93% | 0.934 | 70% | 0.699 | S | S | * | * | | | trans | -75.9 | 109.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 716 | S | 37 | Very low | 45.7 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | | | trans | -132.9 | 95.3 | 175.5 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | P714 | P714-S716 PolarHBondContact O-N 3.39Š|
| 717 | L | 42.5 | Very low | 44.1 | Very low | 177 Ų | 177 | 130.4 Ų | 130.4 | 93% | 0.927 | 74% | 0.736 | S | S | * | * | | | trans | -129.3 | 93.5 | 165 | -78.6 | 175.7 | 0 | 0 | 0 | 109.2 | | |
| 718 | D | 36.5 | Very low | 42.4 | Very low | 167 Ų | 167 | 132 Ų | 132 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | | | trans | -69.7 | 145.3 | 153.8 | -151.8 | 24.2 | 0 | 0 | 0 | 107.2 | | |
| 719 | G | 36.1 | Very low | 41.8 | Very low | 46 Ų | 46 | 131 Ų | 131 | 47% | 0.474 | 76% | 0.758 | S | S | . | * | | | cis | 138.3 | 108.9 | 1.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 720 | H | 34.1 | Very low | 40.5 | Very low | 204 Ų | 204 | 129.3 Ų | 129.3 | 94% | 0.944 | 77% | 0.767 | S | S | * | * | | | trans | -156.9 | 143.7 | 170 | -96.9 | -65.4 | 0 | 0 | 0 | 112.7 | | |
| 721 | L | 39.3 | Very low | 39.7 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | | | trans | -85.1 | 159.1 | 179.2 | -90.4 | 167.9 | 0 | 0 | 0 | 111.2 | | |
| 722 | P | 46 | Very low | 39.7 | Very low | 122 Ų | 122 | 131 Ų | 131 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | | -144.5 | 163.2 | 57.9 | 39.5 | -20.2 | 0 | 0 | 0 | 119 | | |
| 723 | H | 36.9 | Very low | 38.6 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 78% | 0.778 | 78% | 0.784 | S | S | * | * | | | trans | -108.1 | 146.8 | 165.4 | -68.5 | -81.5 | 0 | 0 | 0 | 111.4 | | |
| 724 | P | 47.8 | Very low | 38.4 | Very low | 119 Ų | 119 | 130.7 Ų | 130.7 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -98.2 | 125.2 | 158.2 | 33.7 | -26.6 | 0 | 0 | 0 | 112.3 | | |
| 725 | S | 29.6 | Very low | 38.4 | Very low | 108 Ų | 108 | 133.7 Ų | 133.7 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | 28.2 | 138.2 | 145.6 | -52.2 | 0 | 0 | 0 | 0 | 122.4 | | |
| 726 | L | 35.8 | Very low | 38.2 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 80% | 0.796 | 78% | 0.783 | S | S | * | * | | | | -179.7 | 136 | 98.3 | -91.7 | 171.3 | 0 | 0 | 0 | 115.1 | | |
| 727 | I | 36.1 | Very low | 38.8 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | 78.3 | 126.4 | 147.8 | -59.2 | 160.9 | 0 | 0 | 0 | 120.9 | | |
| 728 | T | 31.6 | Very low | 38.6 | Very low | 132 Ų | 132 | 141.1 Ų | 141.1 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | | | trans | -117.4 | -169.5 | 167.9 | 16.9 | 0 | 0 | 0 | 0 | 109 | | |
| 729 | P | 53.4 | Low | 38.6 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | | | cis | -131.6 | -176.7 | -7.6 | 36.7 | -17.3 | 0 | 0 | 0 | 115.2 | | |
| 730 | G | 30.2 | Very low | 38.2 | Very low | 72 Ų | 72 | 144.1 Ų | 144.1 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | -169 | 134.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 731 | L | 37.3 | Very low | 38.6 | Very low | 167 Ų | 167 | 140.7 Ų | 140.7 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | -145.3 | 177.1 | -171.1 | -73 | 177 | 0 | 0 | 0 | 110.2 | | |
| 732 | P | 51.3 | Low | 38.2 | Very low | 117 Ų | 117 | 140.7 Ų | 140.7 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | cis | -131.4 | -178.3 | -45.6 | 38 | -23 | 0 | 0 | 0 | 112.2 | | |
| 733 | S | 32 | Very low | 37.5 | Very low | 107 Ų | 107 | 139.7 Ų | 139.7 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | | | | 178.7 | 112.1 | 126.9 | -165 | 0 | 0 | 0 | 0 | 115.3 | | |
| 734 | M | 35.4 | Very low | 37.2 | Very low | 149 Ų | 149 | 135 Ų | 135 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | | | trans | 35.4 | 120.6 | 135.5 | -51.7 | -59 | -78.9 | 0 | 0 | 122.6 | | |
| 735 | H | 38 | Very low | 36.4 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | | | | -172.3 | 154 | 96.1 | -95.9 | -76 | 0 | 0 | 0 | 111.4 | | |
| 736 | Y | 34.4 | Very low | 36.4 | Very low | 209 Ų | 209 | 138.9 Ų | 138.9 | 82% | 0.82 | 80% | 0.795 | S | S | * | * | | | trans | -147.4 | 152.3 | -172.4 | -95.7 | -71.5 | 0 | 0 | 0 | 109.1 | | |
| 737 | P | 51.4 | Low | 36.4 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | | | | -152.2 | -174.5 | 68.2 | 41.1 | -21.3 | 0 | 0 | 0 | 117 | | |
| 738 | R | 37.8 | Very low | 35.9 | Very low | 214 Ų | 214 | 135.9 Ų | 135.9 | 81% | 0.808 | 80% | 0.799 | S | S | * | * | | | cis | 179.1 | 98.8 | -44.2 | -169.7 | -86.2 | -168.7 | 156.6 | 5 | 109.3 | | |
| 739 | I | 35.3 | Very low | 36.3 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | | | trans | -149.3 | 138.7 | 157.4 | 34.3 | 172.4 | 0 | 0 | 0 | 111.4 | | |
| 740 | S | 28.7 | Very low | 35.6 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -158.7 | 155.4 | 173.6 | -45.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 741 | P | 42.3 | Very low | 35.7 | Very low | 131 Ų | 131 | 141.2 Ų | 141.2 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | | -122.4 | -170.2 | 122.4 | 36.6 | -33 | 0 | 0 | 0 | 111.8 | | |
| 742 | T | 31 | Very low | 35.6 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 84% | 0.84 | 80% | 0.799 | S | S | * | * | | | trans | -123.9 | 167.7 | -146.7 | -29.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 743 | A | 31.5 | Very low | 34.9 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | | | trans | 74.8 | 149.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 744 | G | 30.9 | Very low | 35.3 | Very low | 69 Ų | 69 | 143.9 Ų | 143.9 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | cis | 163.7 | 116.2 | -12.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 745 | N | 29.7 | Very low | 35.8 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | | | trans | 61.2 | 142.8 | 143.6 | -137.3 | 32.5 | 0 | 0 | 0 | 121.1 | | |
| 746 | Q | 31.2 | Very low | 35.8 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | | | trans | 82.1 | 127.8 | 159.2 | -44.4 | -166.8 | 77.6 | 0 | 0 | 120.6 | | |
| 747 | N | 33.9 | Very low | 35.8 | Very low | 162 Ų | 162 | 135.2 Ų | 135.2 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | | | trans | 14.4 | 131.9 | 141.3 | -57.6 | -24.4 | 0 | 0 | 0 | 120 | | |
| 748 | G | 27.4 | Very low | 35.2 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | | | trans | -178.2 | 131.6 | 162.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 749 | L | 38.3 | Very low | 35.3 | Very low | 148 Ų | 148 | 131.1 Ų | 131.1 | 78% | 0.775 | 80% | 0.799 | S | S | * | * | | | trans | -42.2 | 157.3 | 158 | -85.6 | 57.9 | 0 | 0 | 0 | 112.4 | | |
| 750 | L | 40.3 | Very low | 35.4 | Very low | 164 Ų | 164 | 127.4 Ų | 127.4 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | | -161 | 147.2 | 79 | -90.1 | 167.6 | 0 | 0 | 0 | 115.4 | | |
| 751 | N | 30.6 | Very low | 35.7 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 68% | 0.684 | 78% | 0.782 | S | S | * | * | | | trans | -62.5 | 146.8 | 173.2 | -65.6 | -70.5 | 0 | 0 | 0 | 113 | | |
| 752 | K | 35.7 | Very low | 35.9 | Very low | 208 Ų | 208 | 124.7 Ų | 124.7 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | | | trans | -131.3 | 97.3 | 149.8 | -74.7 | -169.2 | 176.9 | -179.4 | 0 | 109.7 | P754 | K752-P754 WeakPolarHBondContact O-CD 3.22Š|
| 753 | T | 37.7 | Very low | 37 | Very low | 127 Ų | 127 | 123.6 Ų | 123.6 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 126.9 | 176.6 | 45 | 0 | 0 | 0 | 0 | 112.1 | | |
| 754 | P | 39 | Very low | 37.9 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 159.7 | 145.8 | 33.7 | -30.7 | 0 | 0 | 0 | 110 | K752 | K752-P754 WeakPolarHBondContact O-CD 3.22Š|
| 755 | P | 47.6 | Very low | 38.3 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 152.1 | -164.8 | 31.1 | -36.4 | 0 | 0 | 0 | 114.8 | A757 | P755-A757 PolarHBondContact O-N 3.26Š|
| 756 | T | 37.1 | Very low | 38.6 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 116.9 | 163.6 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 757 | A | 34 | Very low | 38.6 | Very low | 83 Ų | 83 | 127 Ų | 127 | 69% | 0.686 | 78% | 0.776 | S | S | * | * | | | trans | -133.8 | 108.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | P755 L759 | P755-A757 PolarHBondContact O-N 3.26Å; A757-L759 PolarHBondContact O-N 3.04Å |
| 758 | A | 39.2 | Very low | 38.7 | Very low | 96 Ų | 96 | 125.3 Ų | 125.3 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | | | trans | -78.3 | 115.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 759 | L | 39.3 | Very low | 39.1 | Very low | 157 Ų | 157 | 130.1 Ų | 130.1 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | | | trans | -128.9 | 68.4 | 171.4 | -74.7 | 178.5 | 0 | 0 | 0 | 111.7 | A757 A761 | A757-L759 PolarHBondContact O-N 3.04Å; L759-A761 PolarHBondContact O-N 3.49Å |
| 760 | S | 38.2 | Very low | 38.9 | Very low | 90 Ų | 90 | 126.4 Ų | 126.4 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | trans | -75.1 | 107.6 | 148 | 173.2 | 0 | 0 | 0 | 0 | 107.7 | W335 | W335-S760 WeakPolarHBondContact CH2-OG 3.32Å; W335-S760 WeakPolarHBondContact CZ2-OG 3.37Å |
| 761 | A | 35.7 | Very low | 38.5 | Very low | 76 Ų | 76 | 122.1 Ų | 122.1 | 63% | 0.628 | 77% | 0.771 | S | S | * | * | | | trans | -140 | 119.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L759 | L759-A761 PolarHBondContact O-N 3.49Š|
| 762 | P | 45.4 | Very low | 38.8 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 69% | 0.688 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 155 | 173 | 31.8 | -34.3 | 0 | 0 | 0 | 110.9 | | |
| 763 | P | 53.6 | Low | 38.8 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 141.9 | 173.7 | 27.9 | -34.6 | 0 | 0 | 0 | 111.1 | L765 | P763-L765 PolarHBondContact O-N 3.33Š|
| 764 | P | 51.2 | Low | 38.5 | Very low | 119 Ų | 119 | 124.4 Ų | 124.4 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 128.3 | -176.6 | 27.8 | -34.4 | 0 | 0 | 0 | 112 | I766 | P764-I766 PolarHBondContact O-N 3.03Š|
| 765 | L | 39.5 | Very low | 38.4 | Very low | 168 Ų | 168 | 124 Ų | 124 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -75 | 118.9 | 171.1 | -66 | 175.3 | 0 | 0 | 0 | 110 | P763 S767 | P763-L765 PolarHBondContact O-N 3.33Å; L765-S767 PolarHBondContact O-N 3.38Å |
| 766 | I | 35.8 | Very low | 37.9 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | | | trans | -83.8 | 101.6 | 177.6 | -50.9 | 177.5 | 0 | 0 | 0 | 109.3 | P764 T768 | P764-I766 PolarHBondContact O-N 3.03Å; I766-T768 HydrophobicContact CG2-CG2 4.15Å; I766-T768 PolarHBondContact O-N 3.1Å |
| 767 | S | 32.1 | Very low | 37.8 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | | | trans | -70.1 | 91.5 | 173.1 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | L765 L769 | L765-S767 PolarHBondContact O-N 3.38Å; S767-L769 PolarHBondContact O-N 3.29Å |
| 768 | T | 34.1 | Very low | 38 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -83.3 | 92 | 174.1 | 40.8 | 0 | 0 | 0 | 0 | 111.8 | I766 G770 | I766-T768 HydrophobicContact CG2-CG2 4.15Å; I766-T768 PolarHBondContact O-N 3.1Å; T768-G770 VanDerWaalsContact C-N 3.35Å; T768-G770 PolarHBondContact O-N 3.33Å |
| 769 | L | 37.8 | Very low | 37.8 | Very low | 179 Ų | 179 | 137 Ų | 137 | 94% | 0.937 | 79% | 0.79 | S | S | * | * | | | trans | -68.7 | 87.3 | 169.4 | -175.1 | 69.1 | 0 | 0 | 0 | 110.5 | S767 | S767-L769 PolarHBondContact O-N 3.29Š|
| 770 | G | 32.5 | Very low | 37.6 | Very low | 70 Ų | 70 | 134.8 Ų | 134.8 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 122.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | T768 | T768-G770 VanDerWaalsContact C-N 3.35Å; T768-G770 PolarHBondContact O-N 3.33Å |
| 771 | G | 32.1 | Very low | 37.5 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 151.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P773 | G771-P773 WeakPolarHBondContact O-CD 3.46Š|
| 772 | R | 37.2 | Very low | 37.3 | Very low | 248 Ų | 248 | 141.1 Ų | 141.1 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 129.6 | 171.4 | -65.7 | 178.9 | 173 | -151.3 | -0.7 | 111.4 | | |
| 773 | P | 34.9 | Very low | 36.6 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87 | 154.2 | 154.2 | 33.2 | -30.5 | 0 | 0 | 0 | 111.6 | G771 | G771-P773 WeakPolarHBondContact O-CD 3.46Š|
| 774 | V | 32.8 | Very low | 35.6 | Very low | 139 Ų | 139 | 140.9 Ų | 140.9 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 153.5 | -172 | 170.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 775 | S | 35.7 | Very low | 34.6 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 129.8 | 175.8 | 176.8 | 0 | 0 | 0 | 0 | 114.5 | | |
| 776 | P | 38.3 | Very low | 34.5 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 146.5 | 161.9 | -12.4 | 30.4 | 0 | 0 | 0 | 112.6 | | |
| 777 | R | 34.8 | Very low | 34.6 | Very low | 232 Ų | 232 | 146.8 Ų | 146.8 | 88% | 0.875 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 135.4 | -175.9 | -69.1 | 175.3 | 169.8 | -171.3 | -3.3 | 113.7 | T779 | R777-T779 PolarHBondContact O-N 3.27Š|
| 778 | R | 38.6 | Very low | 34.6 | Very low | 235 Ų | 235 | 146.3 Ų | 146.3 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | | | trans | 5.7 | 110.3 | 137.8 | -174.3 | -170.8 | -168.5 | -149.7 | 5.6 | 116 | | |
| 779 | T | 35.1 | Very low | 34.5 | Very low | 135 Ų | 135 | 149.6 Ų | 149.6 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | | | trans | -127.4 | 147.6 | 159.3 | 50.3 | 0 | 0 | 0 | 0 | 110.2 | R777 | R777-T779 PolarHBondContact O-N 3.27Š|
| 780 | T | 34.9 | Very low | 34.6 | Very low | 110 Ų | 110 | 146.3 Ų | 146.3 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 134.7 | -176.8 | 45.4 | 0 | 0 | 0 | 0 | 111.1 | | |
| 781 | P | 36 | Very low | 35 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 142.9 | 164.7 | 31.1 | -32.8 | 0 | 0 | 0 | 110.4 | | |
| 782 | L | 31.8 | Very low | 35.1 | Very low | 172 Ų | 172 | 151.4 Ų | 151.4 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 164.2 | 171.5 | -70.2 | 168.2 | 0 | 0 | 0 | 110.8 | | |
| 783 | S | 29.6 | Very low | 35.1 | Very low | 119 Ų | 119 | 147.3 Ų | 147.3 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | -104.6 | 163.5 | -174.9 | -167.3 | 0 | 0 | 0 | 0 | 113 | | |
| 784 | A | 32.2 | Very low | 35.1 | Very low | 95 Ų | 95 | 147 Ų | 147 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | | | trans | 66.1 | 129.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 785 | E | 30.3 | Very low | 35.3 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | | -138.6 | 164.7 | 66.2 | -135.8 | -179.7 | 173.4 | 0 | 0 | 115.1 | | |
| 786 | I | 38.7 | Very low | 35.7 | Very low | 162 Ų | 162 | 150 Ų | 150 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | | | trans | -130.3 | 118.7 | 178.8 | -68.7 | 175 | 0 | 0 | 0 | 109.7 | | |
| 787 | R | 36.8 | Very low | 35.7 | Very low | 212 Ų | 212 | 151 Ų | 151 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | | | trans | -159.9 | 108.8 | 163.5 | -139.8 | 149.8 | -169.6 | 157.7 | 3.6 | 110.3 | | |
| 788 | E | 31.9 | Very low | 36.4 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 51% | 0.509 | 78% | 0.779 | S | S | . | * | | | | 90 | 82.8 | 62.3 | -175 | -144.9 | -179.4 | 0 | 0 | 113.5 | | |
| 789 | R | 32.2 | Very low | 36.8 | Very low | 195 Ų | 195 | 145.3 Ų | 145.3 | 74% | 0.736 | 78% | 0.778 | S | S | * | * | | | trans | -177.1 | 165 | 137.8 | -100.1 | 160.3 | -160.9 | 74.9 | 12.8 | 113.7 | | |
| 790 | P | 40.7 | Very low | 37.4 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | | | trans | -101.6 | 173.6 | -150 | 40.5 | -40.1 | 0 | 0 | 0 | 115.8 | | |
| 791 | P | 40.8 | Very low | 37.6 | Very low | 133 Ų | 133 | 153.3 Ų | 153.3 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -79.2 | 135.6 | -179.6 | 31.3 | -36 | 0 | 0 | 0 | 114 | | |
| 792 | S | 34.4 | Very low | 37.7 | Very low | 118 Ų | 118 | 154.6 Ų | 154.6 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | | | trans | -103.8 | 112.4 | 173.1 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 793 | H | 35.7 | Very low | 38 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 75% | 0.745 | 79% | 0.793 | S | S | * | * | | | trans | -60.9 | 132.2 | 174.9 | 164.4 | -75.4 | 0 | 0 | 0 | 114.2 | | |
| 794 | T | 35.6 | Very low | 38.5 | Very low | 118 Ų | 118 | 155.6 Ų | 155.6 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | | | trans | -145.3 | 97 | 142.9 | 47.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 795 | L | 36.9 | Very low | 38.9 | Very low | 128 Ų | 128 | 159.2 Ų | 159.2 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | | | trans | -68.4 | 154.8 | 141.4 | -140.2 | 74.5 | 0 | 0 | 0 | 107.8 | | |
| 796 | K | 43.8 | Very low | 39.4 | Very low | 178 Ų | 178 | 157.7 Ų | 157.7 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | | | trans | -135.4 | 98.8 | 169.3 | -82.2 | -165.1 | 174.7 | -173.3 | 0 | 110.1 | | |
| 797 | D | 38.3 | Very low | 39.5 | Very low | 139 Ų | 139 | 157.4 Ų | 157.4 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | | | trans | -62.3 | 143.9 | 161 | -49.4 | -80.5 | 0 | 0 | 0 | 109.7 | | |
| 798 | I | 50.2 | Low | 39.7 | Very low | 165 Ų | 165 | 153.5 Ų | 153.5 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | | | trans | -132.2 | 96 | 164.2 | -59.8 | -178.1 | 0 | 0 | 0 | 106.6 | | |
| 799 | E | 47.9 | Very low | 40.3 | Very low | 182 Ų | 182 | 156.9 Ų | 156.9 | 85% | 0.85 | 80% | 0.804 | S | S | * | * | | | trans | -89.7 | 163.3 | 167.6 | -170.5 | 173.3 | -154.4 | 0 | 0 | 109.9 | | |
| 800 | A | 46.1 | Very low | 40.9 | Very low | 89 Ų | 89 | 153.8 Ų | 153.8 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | | | trans | 66 | 98 | 167.5 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 801 | R | 40.7 | Very low | 40.9 | Very low | 324 Ų | 324 | 157.7 Ų | 157.7 | 100% | 1.223 | 82% | 0.818 | S | S | * | * | | | | -157.1 | 0 | 100.1 | -109.2 | 178.7 | -176.6 | -171.5 | 0.8 | 113.4 | | |