| 1 | M | 67.8 | Low | 79.3 | Confident | 175 Ų | 175 | 115.2 Ų | 115.2 | 86% | 0.862 | 58% | 0.577 | S | S | * | * | | | | 0 | -63.3 | 0 | -164 | -163.4 | -60.2 | 0 | 0 | 111.2 | T3 L4 I5 | M1-T3 PolarHBondContact O-N 3Å; M1-L4 PolarHBondContact O-N 3.19Å; M1-I5 HydrophobicContact CG-CD1 4.37Å; M1-I5 PolarHBondContact O-N 3.26Å |
| 2 | V | 76.9 | Confident | 78.3 | Confident | 110 Ų | 110 | 118.8 Ų | 118.8 | 67% | 0.667 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -53.5 | -43.1 | 177 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | L4 I5 T6 | V2-L4 PolarHBondContact O-N 3.48Å; V2-I5 WeakPolarHBondContact O-CB 3.48Å; V2-I5 PolarHBondContact O-N 2.63Å; V2-T6 HydrophobicContact CG1-CG2 4.5Å; V2-T6 PolarHBondContact O-N 3.43Å; V2-T6 PolarHBondContact O-OG1 3.18Å |
| 3 | T | 83 | Confident | 77.2 | Confident | 101 Ų | 101 | 117.5 Ų | 117.5 | 62% | 0.62 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -52 | -47.3 | 172.5 | 44.7 | 0 | 0 | 0 | 0 | 114.1 | M1 I5 T6 E7 | M1-T3 PolarHBondContact O-N 3Å; T3-I5 VanDerWaalsContact C-N 3.29Å; T3-I5 PolarHBondContact O-N 2.88Å; T3-T6 PolarHBondContact O-N 3.35Å; T3-T6 PolarHBondContact O-OG1 3.23Å; T3-T6 VanDerWaalsContact O-OG1 3.06Å; T3-E7 VanDerWaalsContact O-CB 3.28Å; T3-E7 WeakPolarHBondContact O-CB 3.31Å; T3-E7 PolarHBondContact O-N 3.07Å |
| 4 | L | 85.1 | Confident | 76.1 | Confident | 111 Ų | 111 | 119.3 Ų | 119.3 | 58% | 0.581 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.2 | -32.7 | 177.4 | -60.5 | 171.6 | 0 | 0 | 0 | 111.6 | M1 V2 Q8 | M1-L4 PolarHBondContact O-N 3.19Å; V2-L4 PolarHBondContact O-N 3.48Å; L4-Q8 VanDerWaalsContact O-CB 3.23Å; L4-Q8 WeakPolarHBondContact O-CB 3.26Å; L4-Q8 PolarHBondContact O-N 2.94Å |
| 5 | I | 85.6 | Confident | 74.8 | Confident | 95 Ų | 95 | 121.7 Ų | 121.7 | 49% | 0.487 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.2 | -44.8 | 178 | -63.2 | 166.7 | 0 | 0 | 0 | 110.3 | M1 V2 T3 Q8 L9 | M1-I5 HydrophobicContact CG-CD1 4.37Å; M1-I5 PolarHBondContact O-N 3.26Å; V2-I5 WeakPolarHBondContact O-CB 3.48Å; V2-I5 PolarHBondContact O-N 2.63Å; T3-I5 VanDerWaalsContact C-N 3.29Å; T3-I5 PolarHBondContact O-N 2.88Å; I5-Q8 PolarHBondContact O-N 3.5Å; I5-L9 HydrophobicContact CG2-CD1 3.99Å; I5-L9 WeakPolarHBondContact O-CB 3.45Å; I5-L9 VanDerWaalsContact O-CG 3.25Å; I5-L9 WeakPolarHBondContact O-CG 3.18Å; I5-L9 PolarHBondContact O-N 3.08Å |
| 6 | T | 83.9 | Confident | 73.4 | Confident | 85 Ų | 85 | 125.3 Ų | 125.3 | 52% | 0.521 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -68.4 | -37.8 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | V2 T3 R10 | V2-T6 HydrophobicContact CG1-CG2 4.5Å; V2-T6 PolarHBondContact O-N 3.43Å; V2-T6 PolarHBondContact O-OG1 3.18Å; T3-T6 PolarHBondContact O-N 3.35Å; T3-T6 PolarHBondContact O-OG1 3.23Å; T3-T6 VanDerWaalsContact O-OG1 3.06Å; T6-R10 WeakPolarHBondContact O-CB 3.38Å; T6-R10 PolarHBondContact O-N 3.09Å |
| 7 | E | 81.6 | Confident | 72.3 | Confident | 74 Ų | 74 | 123.8 Ų | 123.8 | 35% | 0.346 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.6 | -46.6 | 173.8 | -164 | -150.4 | 172.7 | 0 | 0 | 111.7 | T3 R10 K11 | T3-E7 VanDerWaalsContact O-CB 3.28Å; T3-E7 WeakPolarHBondContact O-CB 3.31Å; T3-E7 PolarHBondContact O-N 3.07Å; E7-R10 WeakPolarHBondContact O-CB 3.47Å; E7-R10 PolarHBondContact O-N 3.49Å; E7-K11 HydrophobicContact CG-CD 4.38Å; E7-K11 WeakPolarHBondContact O-CG 3.47Å; E7-K11 PolarHBondContact O-N 3Å; E7-K11 WeakPolarHBondContact OE1-CE 3.46Å; E7-K11 IonicContact OE1-NZ 2.62Å; E7-K11 PolarHBondContact OE1-NZ 2.9Å; E7-K11 IonicContact OE2-NZ 3.81Å |
| 8 | Q | 81.3 | Confident | 70.9 | Confident | 105 Ų | 105 | 129.4 Ų | 129.4 | 49% | 0.491 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -71.5 | -30.8 | -178.3 | -152.5 | 75.5 | -25.9 | 0 | 0 | 112.6 | L4 I5 Q12 | L4-Q8 VanDerWaalsContact O-CB 3.23Å; L4-Q8 WeakPolarHBondContact O-CB 3.26Å; L4-Q8 PolarHBondContact O-N 2.94Å; I5-Q8 PolarHBondContact O-N 3.5Å; Q8-Q12 WeakPolarHBondContact O-CG 3.23Å; Q8-Q12 PolarHBondContact O-N 2.86Å |
| 9 | L | 77.9 | Confident | 69.7 | Low | 102 Ų | 102 | 131.8 Ų | 131.8 | 53% | 0.534 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -67.3 | -42.1 | 169 | -74 | 169.8 | 0 | 0 | 0 | 111.5 | I5 K11 Q12 S13 | I5-L9 HydrophobicContact CG2-CD1 3.99Å; I5-L9 WeakPolarHBondContact O-CB 3.45Å; I5-L9 VanDerWaalsContact O-CG 3.25Å; I5-L9 WeakPolarHBondContact O-CG 3.18Å; I5-L9 PolarHBondContact O-N 3.08Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 2.62Å; L9-Q12 CarbonylContact O-C 2.83Å; L9-Q12 PolarHBondContact O-N 2.67Å; L9-S13 WeakPolarHBondContact O-CB 3.28Å; L9-S13 PolarHBondContact O-N 2.83Å; L9-S13 VanDerWaalsContact O-N 3.08Å |
| 10 | R | 75.3 | Confident | 68.4 | Low | 181 Ų | 181 | 135.8 Ų | 135.8 | 68% | 0.683 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -59.1 | -43.5 | 173.5 | -169.7 | -179.6 | 72.8 | 138.4 | -0.9 | 111.2 | T6 E7 Q12 S13 | T6-R10 WeakPolarHBondContact O-CB 3.38Å; T6-R10 PolarHBondContact O-N 3.09Å; E7-R10 WeakPolarHBondContact O-CB 3.47Å; E7-R10 PolarHBondContact O-N 3.49Å; R10-Q12 PolarHBondContact O-N 3.36Å; R10-S13 PolarHBondContact O-N 3.15Å; R10-S13 VanDerWaalsContact O-N 3.12Å |
| 11 | K | 73.8 | Confident | 67.3 | Low | 128 Ų | 128 | 133.5 Ų | 133.5 | 56% | 0.557 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -11.7 | 174.3 | -76.1 | 168.7 | 161.9 | 170.9 | 0 | 114.7 | E7 L9 | E7-K11 HydrophobicContact CG-CD 4.38Å; E7-K11 WeakPolarHBondContact O-CG 3.47Å; E7-K11 PolarHBondContact O-N 3Å; E7-K11 WeakPolarHBondContact OE1-CE 3.46Å; E7-K11 IonicContact OE1-NZ 2.62Å; E7-K11 PolarHBondContact OE1-NZ 2.9Å; E7-K11 IonicContact OE2-NZ 3.81Å; L9-K11 VanDerWaalsContact C-N 3.31Å; L9-K11 PolarHBondContact O-N 2.62Å |
| 12 | Q | 67.6 | Low | 66.2 | Low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -5.4 | 172.7 | -73 | -174.5 | -6.8 | 0 | 0 | 113.6 | Q8 L9 R10 | Q8-Q12 WeakPolarHBondContact O-CG 3.23Å; Q8-Q12 PolarHBondContact O-N 2.86Å; L9-Q12 CarbonylContact O-C 2.83Å; L9-Q12 PolarHBondContact O-N 2.67Å; R10-Q12 PolarHBondContact O-N 3.36Å |
| 13 | S | 63.9 | Low | 64.3 | Low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -108.3 | 6.3 | -171.6 | -171.9 | 0 | 0 | 0 | 0 | 113.9 | L9 R10 | L9-S13 WeakPolarHBondContact O-CB 3.28Å; L9-S13 PolarHBondContact O-N 2.83Å; L9-S13 VanDerWaalsContact O-N 3.08Å; R10-S13 PolarHBondContact O-N 3.15Å; R10-S13 VanDerWaalsContact O-N 3.12Å |
| 14 | L | 61.8 | Low | 62.1 | Low | 142 Ų | 142 | 140.6 Ų | 140.6 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | | | trans | -138.4 | 97 | -174.3 | -165.1 | 78.5 | 0 | 0 | 0 | 110.4 | | |
| 15 | E | 56.1 | Low | 59.8 | Low | 155 Ų | 155 | 141.9 Ų | 141.9 | 72% | 0.724 | 70% | 0.699 | S | S | * | * | | | trans | 168.7 | 72.6 | 135 | -162 | 63.3 | -137.5 | 0 | 0 | 110.3 | | |
| 16 | E | 52.7 | Low | 57.7 | Low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 71% | 0.714 | S | S | * | * | | | trans | -117.9 | 105.3 | 168.3 | -75.8 | -166.7 | 139 | 0 | 0 | 109.8 | Y18 | E16-Y18 PolarHBondContact O-N 3.08Š|
| 17 | P | 54.2 | Low | 55.7 | Low | 100 Ų | 100 | 143.3 Ų | 143.3 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | | | trans | -70.4 | 121.2 | -166.6 | -25.3 | 35.8 | 0 | 0 | 0 | 115.8 | H19 | P17-H19 PolarHBondContact O-N 3.12Š|
| 18 | Y | 47.1 | Very low | 53.7 | Low | 225 Ų | 225 | 146.6 Ų | 146.6 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -73.5 | 33 | 175.6 | -93.6 | -96 | 0 | 0 | 0 | 114.9 | E16 | E16-Y18 PolarHBondContact O-N 3.08Š|
| 19 | H | 48.3 | Very low | 51.7 | Low | 175 Ų | 175 | 146.9 Ų | 146.9 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | -130.6 | 55.5 | -172.2 | -65.6 | -50.1 | 0 | 0 | 0 | 114.1 | P17 | P17-H19 PolarHBondContact O-N 3.12Š|
| 20 | K | 45 | Very low | 49.8 | Very low | 212 Ų | 212 | 150.1 Ų | 150.1 | 92% | 0.922 | 78% | 0.782 | S | S | * | * | | | trans | -146.6 | 46.3 | 169.6 | -151.9 | 172.5 | -176.8 | 175.6 | 0 | 115.1 | | |
| 21 | A | 43.7 | Very low | 48.2 | Very low | 88 Ų | 88 | 147.2 Ų | 147.2 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -131.8 | -3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 22 | F | 46.3 | Very low | 46.5 | Very low | 205 Ų | 205 | 150.4 Ų | 150.4 | 90% | 0.899 | 80% | 0.804 | S | S | * | * | | | trans | -139.6 | 77.5 | -178.8 | -86.6 | -76.8 | 0 | 0 | 0 | 113.4 | | |
| 23 | T | 36.8 | Very low | 45.2 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | -153.8 | 70.4 | 161.3 | -37.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 24 | F | 37.4 | Very low | 44.5 | Very low | 198 Ų | 198 | 148.1 Ų | 148.1 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | | | trans | -96.8 | 112.2 | 162.6 | -168.1 | -94.3 | 0 | 0 | 0 | 108.4 | | |
| 25 | N | 36.8 | Very low | 43.3 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | | | trans | -75.7 | 148.1 | -178.9 | -101.6 | -35.2 | 0 | 0 | 0 | 111.4 | | |
| 26 | A | 40.2 | Very low | 42.6 | Very low | 97 Ų | 97 | 145.3 Ų | 145.3 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | | | trans | -79.8 | 131.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 27 | S | 43.2 | Very low | 42.4 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | | | trans | -178 | 68.8 | 146.1 | 60.8 | 0 | 0 | 0 | 0 | 113 | | |
| 28 | V | 38.4 | Very low | 41.7 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | | | trans | -136.3 | 122.5 | 161.1 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 29 | S | 38.8 | Very low | 41.4 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 143.6 | -179.8 | -54.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 30 | L | 39.6 | Very low | 40.7 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 89% | 0.885 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 129.6 | 171.2 | -64.7 | 170.7 | 0 | 0 | 0 | 110.5 | | |
| 31 | P | 41.7 | Very low | 40.2 | Very low | 121 Ų | 121 | 137.6 Ų | 137.6 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -79 | 157.9 | 158.5 | 33.7 | -32.3 | 0 | 0 | 0 | 110.7 | | |
| 32 | E | 36.5 | Very low | 39.8 | Very low | 195 Ų | 195 | 138.6 Ų | 138.6 | 91% | 0.911 | 81% | 0.811 | S | S | * | * | | | trans | -80.1 | 176.2 | -171.1 | -146.1 | 169.7 | 136.6 | 0 | 0 | 113.9 | | |
| 33 | V | 41.9 | Very low | 39.2 | Very low | 147 Ų | 147 | 134.4 Ų | 134.4 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -62.2 | 132 | -174.4 | 170.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 34 | G | 47.6 | Very low | 38.9 | Very low | 65 Ų | 65 | 131.7 Ų | 131.7 | 67% | 0.67 | 81% | 0.806 | S | S | * | * | | | trans | 97.1 | 70.5 | 149.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 35 | S | 38 | Very low | 38.7 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | | | trans | -156.8 | 131.3 | 152.5 | -83.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 36 | S | 40.2 | Very low | 38.6 | Very low | 118 Ų | 118 | 131.3 Ų | 131.3 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | | | trans | -79.4 | 124.3 | 179.1 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | T38 | S36-T38 PolarHBondContact O-N 3.02Š|
| 37 | P | 48 | Very low | 38.3 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | | | trans | -80.1 | 110.4 | 178.5 | 30.3 | -32.9 | 0 | 0 | 0 | 111.7 | I39 | P37-I39 PolarHBondContact O-N 3.21Š|
| 38 | T | 39.9 | Very low | 37.7 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | | | trans | -67.6 | 113.9 | 166.1 | -56.8 | 0 | 0 | 0 | 0 | 109.7 | S36 S40 | S36-T38 PolarHBondContact O-N 3.02Å; T38-S40 PolarHBondContact O-N 3.22Å |
| 39 | I | 40.6 | Very low | 37.2 | Very low | 135 Ų | 135 | 136.9 Ų | 136.9 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | | | trans | -75.6 | 95.7 | -178.1 | -52.2 | 178.3 | 0 | 0 | 0 | 110 | P37 | P37-I39 PolarHBondContact O-N 3.21Š|
| 40 | S | 35.1 | Very low | 36.8 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | | | trans | -81.7 | 117.3 | 171.6 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | T38 S42 | T38-S40 PolarHBondContact O-N 3.22Å; S40-S42 PolarHBondContact O-N 3.42Å |
| 41 | W | 34.6 | Very low | 36.4 | Very low | 234 Ų | 234 | 133.9 Ų | 133.9 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | | | trans | -86.4 | 85.4 | 176.1 | -74.8 | 61.5 | 0 | 0 | 0 | 110.3 | S43 | W41-S43 PolarHBondContact O-N 2.92Š|
| 42 | S | 35.3 | Very low | 36 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | | | trans | -68.9 | 110 | 170.2 | 44.4 | 0 | 0 | 0 | 0 | 110.5 | S40 G44 | S40-S42 PolarHBondContact O-N 3.42Å; S42-G44 PolarHBondContact O-N 3.23Å; S42-G44 VanDerWaalsContact O-N 3.08Å |
| 43 | S | 33.3 | Very low | 35.8 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -68.3 | 107.8 | 178.2 | -170.1 | 0 | 0 | 0 | 0 | 110.6 | W41 K45 | W41-S43 PolarHBondContact O-N 2.92Å; S43-K45 PolarHBondContact O-N 2.94Å |
| 44 | G | 30.5 | Very low | 35.6 | Very low | 74 Ų | 74 | 128.7 Ų | 128.7 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | | | trans | -68 | 90.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S42 | S42-G44 PolarHBondContact O-N 3.23Å; S42-G44 VanDerWaalsContact O-N 3.08Å |
| 45 | K | 33.7 | Very low | 34.9 | Very low | 192 Ų | 192 | 132.4 Ų | 132.4 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | | | trans | -83.1 | 118 | 177.8 | -149.8 | 172.4 | -172.6 | 178.6 | 0 | 109.5 | S43 | S43-K45 PolarHBondContact O-N 2.94Š|
| 46 | T | 34 | Very low | 34.5 | Very low | 137 Ų | 137 | 134.9 Ų | 134.9 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | -73.5 | 139.6 | 179.1 | 42.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 47 | T | 33.6 | Very low | 33.9 | Very low | 134 Ų | 134 | 133.8 Ų | 133.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | trans | -141 | 111.7 | 174.7 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 48 | Q | 30.8 | Very low | 33 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | -155.2 | 144.7 | 157.7 | -100.7 | -162.8 | -69.4 | 0 | 0 | 106.1 | | |
| 49 | E | 28.3 | Very low | 32.5 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 77% | 0.774 | S | S | * | * | | | cis | -160.9 | 133.9 | -19.5 | -150.1 | 171.7 | 176.8 | 0 | 0 | 107.9 | | |
| 50 | A | 29.8 | Very low | 31.9 | Very low | 98 Ų | 98 | 133.4 Ų | 133.4 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | | | trans | -161.5 | 128.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 51 | S | 30.8 | Very low | 31.7 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | | | trans | -69 | 166.5 | 165.7 | 53 | 0 | 0 | 0 | 0 | 110.2 | | |
| 52 | S | 33.2 | Very low | 31.4 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 77% | 0.77 | S | S | * | * | | | cis | -163.9 | 136.4 | 31.9 | 55 | 0 | 0 | 0 | 0 | 114 | | |
| 53 | D | 32.1 | Very low | 31.3 | Very low | 158 Ų | 158 | 134.8 Ų | 134.8 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | | | trans | 63.2 | 157.7 | 136.2 | -82.2 | 8.6 | 0 | 0 | 0 | 122.5 | | |
| 54 | P | 39.2 | Very low | 31.1 | Very low | 96 Ų | 96 | 133 Ų | 133 | 62% | 0.623 | 77% | 0.769 | S | S | * | * | | | trans | -132.9 | -157 | -133.3 | 35 | -12.6 | 0 | 0 | 0 | 115.8 | | |
| 55 | H | 31.1 | Very low | 31 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | | | trans | 85 | 112.6 | 176.8 | -62.3 | -92.2 | 0 | 0 | 0 | 115.7 | | |
| 56 | Q | 31.3 | Very low | 30.9 | Very low | 172 Ų | 172 | 133.4 Ų | 133.4 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | | 89 | 161.1 | 99.6 | -76.2 | 178.5 | 1.5 | 0 | 0 | 113.2 | | |
| 57 | S | 27.7 | Very low | 30.9 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | cis | -172.4 | 158.8 | -30.8 | -175.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 58 | C | 29 | Very low | 30.7 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | | | trans | 62.9 | 119 | 169.4 | -71.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 59 | K | 28.9 | Very low | 31.6 | Very low | 197 Ų | 197 | 129.8 Ų | 129.8 | 86% | 0.857 | 76% | 0.755 | S | S | * | * | | | | 87 | 110.8 | 70 | -90.3 | -169.2 | 173.1 | -177.9 | 0 | 115.4 | | |
| 60 | A | 28.7 | Very low | 31.9 | Very low | 78 Ų | 78 | 132.1 Ų | 132.1 | 65% | 0.645 | 76% | 0.757 | S | S | * | * | | | | 85.1 | 159.5 | 126.7 | 0 | 0 | 0 | 0 | 0 | 121.2 | | |
| 61 | H | 30.4 | Very low | 33 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | | | trans | 70.1 | 117 | -179.6 | -54.4 | -79.5 | 0 | 0 | 0 | 114.8 | | |
| 62 | V | 28.5 | Very low | 32.9 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 78% | 0.782 | 75% | 0.746 | S | S | * | * | | | cis | 75.6 | 92.7 | 35.6 | -170.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 63 | L | 31.5 | Very low | 32.8 | Very low | 172 Ų | 172 | 136.3 Ų | 136.3 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | | | | -152.3 | 161.2 | 123.9 | -148.4 | 68.4 | 0 | 0 | 0 | 109.6 | | |
| 64 | A | 29.3 | Very low | 32.8 | Very low | 79 Ų | 79 | 139.4 Ų | 139.4 | 65% | 0.653 | 75% | 0.747 | S | S | * | * | | | trans | -112.5 | 163.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 65 | N | 29.1 | Very low | 32.4 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | | | trans | -179.8 | 139.2 | 134.2 | -95.2 | -21.1 | 0 | 0 | 0 | 113.2 | | |
| 66 | S | 31.1 | Very low | 32.5 | Very low | 114 Ų | 114 | 136.9 Ų | 136.9 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | 57.9 | 146.4 | 156 | -94.7 | 0 | 0 | 0 | 0 | 120.4 | | |
| 67 | C | 33.8 | Very low | 32.7 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | | | cis | -153.3 | 131.9 | -6.3 | -153 | 0 | 0 | 0 | 0 | 110.9 | | |
| 68 | E | 31 | Very low | 33.3 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | trans | -74.8 | 174 | 158.2 | -81.1 | -69.3 | 145.8 | 0 | 0 | 109.3 | | |
| 69 | P | 48.2 | Very low | 33.9 | Very low | 92 Ų | 92 | 138.8 Ų | 138.8 | 60% | 0.597 | 76% | 0.762 | S | S | * | * | | | cis | -152.2 | -176.4 | 31.7 | 27 | 2.2 | 0 | 0 | 0 | 119.5 | | |
| 70 | W | 36.1 | Very low | 34.2 | Very low | 213 Ų | 213 | 138.9 Ų | 138.9 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | 107 | 136.9 | 156.3 | -66.3 | 97.9 | 0 | 0 | 0 | 117.3 | | |
| 71 | P | 51.6 | Low | 34.4 | Very low | 96 Ų | 96 | 138.4 Ų | 138.4 | 62% | 0.623 | 77% | 0.767 | S | S | * | * | | | | -148.5 | -144.4 | -112.3 | 44.9 | -23 | 0 | 0 | 0 | 113.3 | | |
| 72 | R | 29.8 | Very low | 35 | Very low | 206 Ų | 206 | 136.4 Ų | 136.4 | 78% | 0.777 | 77% | 0.77 | S | S | * | * | | | trans | 109.5 | 92 | 157.1 | -160.9 | 155.8 | -74.4 | -175.6 | -1.9 | 112.5 | | |
| 73 | S | 31.3 | Very low | 35.1 | Very low | 103 Ų | 103 | 139 Ų | 139 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | | | | 90.9 | 145.5 | 91.9 | -79.1 | 0 | 0 | 0 | 0 | 113 | | |
| 74 | R | 32.2 | Very low | 35.5 | Very low | 224 Ų | 224 | 137.2 Ų | 137.2 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | cis | -164.7 | 162.9 | -12.8 | -152.5 | -170.4 | -156.8 | -178.1 | 6 | 107.6 | | |
| 75 | S | 30 | Very low | 35.8 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | | | trans | 21 | 133.2 | 148.6 | 59.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 76 | G | 33.1 | Very low | 36.5 | Very low | 81 Ų | 81 | 138.1 Ų | 138.1 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | | | cis | 153.2 | -172.9 | 3.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 77 | E | 35.1 | Very low | 37 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | | | trans | -104.3 | 159.7 | 171.4 | -150.2 | -161.8 | 115.4 | 0 | 0 | 109.7 | L79 | E77-L79 PolarHBondContact OE1-N 2.96Š|
| 78 | P | 41 | Very low | 37.1 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | | -151.3 | 138.8 | 103.5 | 36.4 | -18.8 | 0 | 0 | 0 | 116.9 | | |
| 79 | L | 41.8 | Very low | 37.4 | Very low | 142 Ų | 142 | 139 Ų | 139 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | | | trans | 38.6 | 116.3 | 131.7 | -70.5 | 162.4 | 0 | 0 | 0 | 120 | E77 | E77-L79 PolarHBondContact OE1-N 2.96Š|
| 80 | Q | 35.6 | Very low | 36.8 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | | | trans | -148.2 | 165.8 | 133.4 | -126.3 | 159.9 | 103.2 | 0 | 0 | 112.1 | | |
| 81 | G | 31.5 | Very low | 37.1 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -81.1 | 178.2 | -158.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 82 | P | 44 | Very low | 36.8 | Very low | 133 Ų | 133 | 143 Ų | 143 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -85.8 | 138.4 | -172.3 | 33.7 | -34.3 | 0 | 0 | 0 | 113.3 | | |
| 83 | E | 30 | Very low | 37.6 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | | | trans | -114.5 | 135.2 | 157.9 | -172.1 | 173 | -146.9 | 0 | 0 | 109.8 | S85 | E83-S85 PolarHBondContact O-N 3.46Š|
| 84 | V | 40.2 | Very low | 38.6 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -93.2 | 95.7 | -175.3 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 85 | S | 36.1 | Very low | 39.9 | Very low | 113 Ų | 113 | 132.8 Ų | 132.8 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -97.9 | 110.8 | 166.8 | 31.7 | 0 | 0 | 0 | 0 | 110.6 | E83 | E83-S85 PolarHBondContact O-N 3.46Š|
| 86 | L | 43.3 | Very low | 41.5 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | | | trans | -69.1 | 162.3 | 177.4 | -161 | 73.8 | 0 | 0 | 0 | 110.9 | | |
| 87 | T | 41.5 | Very low | 42.9 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | | | trans | 71.7 | 99.8 | 169 | 71.4 | 0 | 0 | 0 | 0 | 116.9 | | |
| 88 | N | 35.4 | Very low | 44.3 | Very low | 139 Ų | 139 | 125 Ų | 125 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | | | | -156.4 | 101.3 | 108.5 | -162.7 | -17.3 | 0 | 0 | 0 | 110.5 | S90 | N88-S90 PolarHBondContact O-N 2.91Š|
| 89 | N | 37.5 | Very low | 45.5 | Very low | 144 Ų | 144 | 123.9 Ų | 123.9 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | | | trans | -73.5 | 84.6 | 166.2 | -78 | -0.8 | 0 | 0 | 0 | 107.9 | F91 | N89-F91 VanDerWaalsContact C-N 3.31Å; N89-F91 WeakPolarHBondContact O-CD2 3.34Å; N89-F91 PolarHBondContact O-N 3.02Å |
| 90 | S | 36.8 | Very low | 46.6 | Very low | 102 Ų | 102 | 126.1 Ų | 126.1 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | | | trans | -67.7 | 90.1 | 179.1 | -166.7 | 0 | 0 | 0 | 0 | 109.9 | N88 Q92 | N88-S90 PolarHBondContact O-N 2.91Å; S90-Q92 PolarHBondContact O-N 3.06Å |
| 91 | F | 41.1 | Very low | 48 | Very low | 185 Ų | 185 | 126.8 Ų | 126.8 | 81% | 0.811 | 72% | 0.718 | S | S | * | * | | | trans | -52.2 | 129.6 | 169.2 | -71.4 | -89.8 | 0 | 0 | 0 | 108.9 | N89 S93 | N89-F91 VanDerWaalsContact C-N 3.31Å; N89-F91 WeakPolarHBondContact O-CD2 3.34Å; N89-F91 PolarHBondContact O-N 3.02Å; F91-S93 PolarHBondContact O-N 3.32Å |
| 92 | Q | 45.6 | Very low | 49.5 | Very low | 197 Ų | 197 | 131 Ų | 131 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | | | trans | -59.2 | 110.5 | -176.7 | -67.2 | -174.1 | 0.1 | 0 | 0 | 109.9 | S90 S94 | S90-Q92 PolarHBondContact O-N 3.06Å; Q92-S94 PolarHBondContact O-N 3.43Å |
| 93 | S | 46.4 | Very low | 50 | Low | 118 Ų | 118 | 130.2 Ų | 130.2 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 119.4 | -172.8 | -166.5 | 0 | 0 | 0 | 0 | 110.6 | F91 | F91-S93 PolarHBondContact O-N 3.32Š|
| 94 | S | 52.4 | Low | 51.3 | Low | 99 Ų | 99 | 132.1 Ų | 132.1 | 69% | 0.692 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.9 | 172.6 | -168 | 0 | 0 | 0 | 0 | 110 | Q92 | Q92-S94 PolarHBondContact O-N 3.43Š|
| 95 | P | 60.2 | Low | 52 | Low | 101 Ų | 101 | 130.9 Ų | 130.9 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 145.8 | -174.9 | 21.7 | -33.7 | 0 | 0 | 0 | 112.8 | | |
| 96 | P | 62.3 | Low | 52.9 | Low | 103 Ų | 103 | 133.5 Ų | 133.5 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 149.4 | -160.3 | 29.5 | -37.1 | 0 | 0 | 0 | 114.9 | H218 S219 | P96-H218 VanDerWaalsContact C-C 3.44Å; P96-H218 VanDerWaalsContact C-CA 3.48Å; P96-H218 HydrophobicContact CB-CB 4.06Å; P96-S219 CarbonylContact C-O 3.57Å |
| 97 | P | 62.3 | Low | 53.1 | Low | 33 Ų | 33 | 131.7 Ų | 131.7 | 21% | 0.214 | 72% | 0.716 | C | S | . | * | | | trans | -8.8 | 127.2 | 155.4 | 1.5 | -1.3 | 0 | 0 | 0 | 135.8 | P99 S217 H218 S219 | P97-P99 WeakPolarHBondContact O-CD 3.39Å; P97-S217 VanDerWaalsContact CG-CA 3.48Å; P97-H218 VanDerWaalsContact C-CG 3.47Å; P97-H218 VanDerWaalsContact CA-ND1 3.28Å; P97-H218 WeakPolarHBondContact CA-ND1 3.22Å; P97-H218 HydrophobicContact CB-CB 2.31Å; P97-H218 WeakPolarHBondContact CB-CD2 3.28Å; P97-H218 HydrophobicContact CG-CB 2.28Å; P97-H218 PolarHBondContact O-ND1 3.13Å; P97-S219 CarbonylContact C-O 3.46Å; P97-S219 VanDerWaalsContact CA-CA 3.44Å; P97-S219 VanDerWaalsContact CA-O 3.28Å; P97-S219 WeakPolarHBondContact CA-O 3.31Å; P97-S219 VanDerWaalsContact O-O 3.13Å |
| 98 | P | 64.3 | Low | 53.6 | Low | 51 Ų | 51 | 130.6 Ų | 130.6 | 33% | 0.331 | 71% | 0.709 | S | S | . | * | | | trans | -82.1 | 50.9 | -140.5 | 2.8 | 0 | 0 | 0 | 0 | 113.8 | S219 I220 | P98-S219 WeakPolarHBondContact CA-O 3.46Å; P98-S219 WeakPolarHBondContact CA-OG 3.25Å; P98-S219 WeakPolarHBondContact CD-OG 3.45Å; P98-S219 VanDerWaalsContact N-N 3.19Å; P98-S219 WeakPolarHBondContact O-CB 3.43Å; P98-S219 PolarHBondContact O-OG 3.42Å; P98-I220 VanDerWaalsContact CA-N 3.29Å; P98-I220 HydrophobicContact CB-CB 3.67Å; P98-I220 HydrophobicContact CB-CG1 3.45Å; P98-I220 VanDerWaalsContact CB-CG1 3.45Å; P98-I220 HydrophobicContact CB-CG2 3.71Å; P98-I220 WeakPolarHBondContact O-CG1 3.38Å |
| 99 | P | 67.6 | Low | 54.1 | Low | 87 Ų | 87 | 127.7 Ų | 127.7 | 57% | 0.565 | 70% | 0.698 | S | S | * | * | | | trans | -5.2 | 101.7 | -140.6 | 6.4 | -27.2 | 0 | 0 | 0 | 116.1 | P97 R101 | P97-P99 WeakPolarHBondContact O-CD 3.39Å; P99-R101 PolarHBondContact O-N 3.17Å |
| 100 | K | 63.7 | Low | 54.9 | Low | 189 Ų | 189 | 128 Ų | 128 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | | | trans | -41.8 | 101.4 | -176 | -77.5 | -176.6 | 176.8 | 177 | 0 | 111.5 | H102 S219 | K100-H102 PolarHBondContact O-N 3.05Å; K100-S219 PolarHBondContact N-OG 2.96Å; K100-S219 VanDerWaalsContact N-OG 3.11Å |
| 101 | R | 65.9 | Low | 55.8 | Low | 214 Ų | 214 | 129.1 Ų | 129.1 | 81% | 0.808 | 69% | 0.693 | S | S | * | * | | | trans | -69.2 | 118.6 | 178.5 | -54.6 | -169 | 78.5 | -138.8 | 1 | 107.9 | P99 C103 | P99-R101 PolarHBondContact O-N 3.17Å; R101-C103 PolarHBondContact O-N 3.06Å |
| 102 | H | 63.5 | Low | 56.2 | Low | 155 Ų | 155 | 125 Ų | 125 | 72% | 0.718 | 68% | 0.679 | S | S | * | * | | | trans | -55.3 | 110.6 | 177 | 166.9 | 83 | 0 | 0 | 0 | 110.1 | K100 R104 | K100-H102 PolarHBondContact O-N 3.05Å; H102-R104 PolarHBondContact O-N 3.42Å |
| 103 | C | 53.5 | Low | 56.4 | Low | 116 Ų | 116 | 118.8 Ų | 118.8 | 78% | 0.784 | 66% | 0.657 | S | S | * | * | | | trans | -65.8 | 104.1 | 172.9 | -63.1 | 0 | 0 | 0 | 0 | 108.3 | R101 | R101-C103 PolarHBondContact O-N 3.06Š|
| 104 | R | 58.6 | Low | 56.9 | Low | 222 Ų | 222 | 121 Ų | 121 | 84% | 0.838 | 65% | 0.654 | S | S | * | * | | | trans | -64.9 | 142.6 | 169.7 | -82.2 | -164.9 | 161.9 | -170.4 | -5.2 | 109.8 | H102 | H102-R104 PolarHBondContact O-N 3.42Š|
| 105 | S | 54.6 | Low | 56.6 | Low | 109 Ų | 109 | 119.8 Ų | 119.8 | 76% | 0.762 | 65% | 0.645 | S | S | * | * | | | trans | -60 | 156.8 | -161.6 | -46.9 | 0 | 0 | 0 | 0 | 114.5 | S107 | S105-S107 PolarHBondContact O-N 3.28Å; S105-S107 VanDerWaalsContact O-N 3.08Å |
| 106 | L | 55.2 | Low | 56.2 | Low | 168 Ų | 168 | 124.5 Ų | 124.5 | 88% | 0.88 | 65% | 0.65 | S | S | * | * | | | trans | -56.4 | 108.8 | 168.1 | -62.7 | 166.8 | 0 | 0 | 0 | 110.4 | | |
| 107 | S | 46.7 | Very low | 55.7 | Low | 108 Ų | 108 | 124.4 Ų | 124.4 | 76% | 0.755 | 65% | 0.652 | S | S | * | * | | | trans | -94.9 | 92.8 | 152 | 58.9 | 0 | 0 | 0 | 0 | 107.5 | S105 P109 | S105-S107 PolarHBondContact O-N 3.28Å; S105-S107 VanDerWaalsContact O-N 3.08Å; S107-P109 WeakPolarHBondContact O-CD 3.21Å |
| 108 | V | 51 | Low | 55.5 | Low | 102 Ų | 102 | 126.1 Ų | 126.1 | 62% | 0.618 | 67% | 0.669 | S | S | * | * | | | trans | -64.3 | 127.6 | 165.6 | 177.1 | 0 | 0 | 0 | 0 | 107 | E110 | V108-E110 PolarHBondContact O-N 3.48Š|
| 109 | P | 46.9 | Very low | 55 | Low | 78 Ų | 78 | 134.4 Ų | 134.4 | 51% | 0.506 | 69% | 0.694 | S | S | . | * | | | trans | -68.4 | 115.2 | 169.4 | -16 | 30.7 | 0 | 0 | 0 | 108.6 | S107 D111 L112 | S107-P109 WeakPolarHBondContact O-CD 3.21Å; P109-D111 PolarHBondContact O-N 2.89Å; P109-L112 PolarHBondContact O-N 3.03Å |
| 110 | E | 54.6 | Low | 54.6 | Low | 150 Ų | 150 | 137.2 Ų | 137.2 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -56.2 | -26.6 | -178.1 | -159.9 | 60.2 | -151 | 0 | 0 | 112.4 | V108 L112 S113 | V108-E110 PolarHBondContact O-N 3.48Å; E110-L112 PolarHBondContact O-N 3.1Å; E110-L112 VanDerWaalsContact O-N 3.13Å; E110-S113 VanDerWaalsContact O-CB 3.26Å; E110-S113 WeakPolarHBondContact O-CB 3.49Å; E110-S113 PolarHBondContact O-N 3.27Å; E110-S113 PolarHBondContact O-OG 2.93Å |
| 111 | D | 54.8 | Low | 54.1 | Low | 127 Ų | 127 | 130.8 Ų | 130.8 | 68% | 0.679 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -57.2 | -22.5 | 175.7 | -134.5 | 9.5 | 0 | 0 | 0 | 113.9 | P109 S113 Q114 C115 | P109-D111 PolarHBondContact O-N 2.89Å; D111-S113 PolarHBondContact O-N 3.22Å; D111-Q114 PolarHBondContact O-N 2.89Å; D111-C115 PolarHBondContact O-N 3.33Å |
| 112 | L | 50.3 | Low | 53.7 | Low | 98 Ų | 98 | 126.2 Ų | 126.2 | 51% | 0.513 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -78.1 | -1.3 | 174.2 | -66.9 | 178.9 | 0 | 0 | 0 | 113.9 | P109 E110 C115 R116 | P109-L112 PolarHBondContact O-N 3.03Å; E110-L112 PolarHBondContact O-N 3.1Å; E110-L112 VanDerWaalsContact O-N 3.13Å; L112-C115 HydrophobicContact CD2-CB 4.06Å; L112-R116 PolarHBondContact O-NH1 3.32Å |
| 113 | S | 49.9 | Very low | 53.2 | Low | 67 Ų | 67 | 123.8 Ų | 123.8 | 47% | 0.469 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70 | -45 | 163.4 | 63.4 | 0 | 0 | 0 | 0 | 111 | E110 D111 C115 R116 | E110-S113 VanDerWaalsContact O-CB 3.26Å; E110-S113 WeakPolarHBondContact O-CB 3.49Å; E110-S113 PolarHBondContact O-N 3.27Å; E110-S113 PolarHBondContact O-OG 2.93Å; D111-S113 PolarHBondContact O-N 3.22Å; S113-C115 VanDerWaalsContact C-N 3.34Å; S113-C115 PolarHBondContact O-N 3.26Å; S113-R116 WeakPolarHBondContact O-CG 3.16Å |
| 114 | Q | 55.8 | Low | 53.1 | Low | 163 Ų | 163 | 120.7 Ų | 120.7 | 76% | 0.762 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -35 | 177.5 | -157.3 | 74.8 | 14.5 | 0 | 0 | 111.6 | D111 R116 | D111-Q114 PolarHBondContact O-N 2.89Å; Q114-R116 PolarHBondContact O-N 3.1Å |
| 115 | C | 48 | Very low | 53.3 | Low | 75 Ų | 75 | 119.8 Ų | 119.8 | 51% | 0.507 | 67% | 0.666 | S | S | . | * | | | trans | -76.5 | 45.7 | 176.8 | -61.2 | 0 | 0 | 0 | 0 | 114.3 | D111 L112 S113 S117 | D111-C115 PolarHBondContact O-N 3.33Å; L112-C115 HydrophobicContact CD2-CB 4.06Å; S113-C115 VanDerWaalsContact C-N 3.34Å; S113-C115 PolarHBondContact O-N 3.26Å; C115-S117 PolarHBondContact O-N 2.88Å |
| 116 | R | 50.4 | Low | 53.5 | Low | 199 Ų | 199 | 120.4 Ų | 120.4 | 75% | 0.751 | 67% | 0.665 | S | S | * | * | | | trans | -82.9 | 45.8 | 161.5 | -72.2 | -69.8 | -177.6 | -73.6 | -3.6 | 111.6 | L112 S113 Q114 A118 | L112-R116 PolarHBondContact O-NH1 3.32Å; S113-R116 WeakPolarHBondContact O-CG 3.16Å; Q114-R116 PolarHBondContact O-N 3.1Å; R116-A118 PolarHBondContact O-N 2.89Å |
| 117 | S | 51.2 | Low | 53.3 | Low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 66% | 0.659 | S | S | * | * | | | trans | -66 | 101.4 | 165.9 | 37.3 | 0 | 0 | 0 | 0 | 108.7 | C115 W119 | C115-S117 PolarHBondContact O-N 2.88Å; S117-W119 PolarHBondContact O-N 3.27Å |
| 118 | A | 59.4 | Low | 54.2 | Low | 69 Ų | 69 | 122.2 Ų | 122.2 | 57% | 0.57 | 66% | 0.656 | S | S | * | * | | | trans | -56.5 | 113.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | R116 H120 | R116-A118 PolarHBondContact O-N 2.89Å; A118-H120 VanDerWaalsContact C-N 3.33Å; A118-H120 WeakPolarHBondContact CB-NE2 3.03Å; A118-H120 PolarHBondContact O-CD2 3.08Å; A118-H120 VanDerWaalsContact O-CD2 3.24Å; A118-H120 PolarHBondContact O-N 3.32Å |
| 119 | W | 53.6 | Low | 54.5 | Low | 225 Ų | 225 | 122.7 Ų | 122.7 | 85% | 0.852 | 66% | 0.662 | S | S | * | * | | | trans | -75.1 | 88.7 | -176.6 | -165.9 | 88.1 | 0 | 0 | 0 | 109.7 | S117 P121 | S117-W119 PolarHBondContact O-N 3.27Å; W119-P121 HydrophobicContact CH2-CB 4.29Å; W119-P121 HydrophobicContact CZ3-CB 4Å |
| 120 | H | 59.4 | Low | 54.9 | Low | 146 Ų | 146 | 125.2 Ų | 125.2 | 68% | 0.676 | 68% | 0.675 | S | S | * | * | | | trans | -85.7 | 129.1 | 172.1 | -63.9 | -68.2 | 0 | 0 | 0 | 109.6 | A118 S122 | A118-H120 VanDerWaalsContact C-N 3.33Å; A118-H120 WeakPolarHBondContact CB-NE2 3.03Å; A118-H120 PolarHBondContact O-CD2 3.08Å; A118-H120 VanDerWaalsContact O-CD2 3.24Å; A118-H120 PolarHBondContact O-N 3.32Å; H120-S122 VanDerWaalsContact C-N 3.26Å; H120-S122 PolarHBondContact O-N 3.02Å |
| 121 | P | 53.3 | Low | 55 | Low | 55 Ų | 55 | 127.7 Ų | 127.7 | 36% | 0.357 | 68% | 0.684 | S | S | . | * | | | trans | -71.8 | 83.3 | 174.1 | 30 | -34.5 | 0 | 0 | 0 | 110 | W119 A123 S124 | W119-P121 HydrophobicContact CH2-CB 4.29Å; W119-P121 HydrophobicContact CZ3-CB 4Å; P121-A123 PolarHBondContact O-N 3.27Å; P121-S124 PolarHBondContact O-N 3.25Å; P121-S124 VanDerWaalsContact O-N 3.16Å |
| 122 | S | 57.6 | Low | 55.2 | Low | 118 Ų | 118 | 132 Ų | 132 | 83% | 0.825 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | 137.5 | 179.9 | -166.3 | 0 | 0 | 0 | 0 | 111.1 | H120 S124 | H120-S122 VanDerWaalsContact C-N 3.26Å; H120-S122 PolarHBondContact O-N 3.02Å; S122-S124 VanDerWaalsContact C-N 3.32Å; S122-S124 PolarHBondContact O-N 2.95Å |
| 123 | A | 52.3 | Low | 55 | Low | 103 Ų | 103 | 130.1 Ų | 130.1 | 85% | 0.851 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 66.9 | 5.7 | -175 | 0 | 0 | 0 | 0 | 0 | 118.2 | P121 K125 | P121-A123 PolarHBondContact O-N 3.27Å; A123-K125 PolarHBondContact O-N 3.21Å |
| 124 | S | 51 | Low | 54.8 | Low | 51 Ų | 51 | 132.3 Ų | 132.3 | 36% | 0.357 | 71% | 0.709 | S | S | . | * | | | trans | -83.7 | 94 | 170.9 | -170 | 0 | 0 | 0 | 0 | 112.6 | P121 S122 V126 W127 | P121-S124 PolarHBondContact O-N 3.25Å; P121-S124 VanDerWaalsContact O-N 3.16Å; S122-S124 VanDerWaalsContact C-N 3.32Å; S122-S124 PolarHBondContact O-N 2.95Å; S124-V126 PolarHBondContact O-N 3.26Å; S124-W127 PolarHBondContact O-N 3.08Å |
| 125 | K | 63.2 | Low | 54.5 | Low | 203 Ų | 203 | 133.3 Ų | 133.3 | 88% | 0.883 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 12.5 | -177.3 | -155.5 | 172.2 | -179.8 | 177.9 | 0 | 115 | A123 | A123-K125 PolarHBondContact O-N 3.21Š|
| 126 | V | 59.7 | Low | 54.4 | Low | 123 Ų | 123 | 134.6 Ų | 134.6 | 75% | 0.745 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -23.5 | 179 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | S124 T128 | S124-V126 PolarHBondContact O-N 3.26Å; V126-T128 PolarHBondContact O-N 2.97Å |
| 127 | W | 49.5 | Very low | 54.2 | Low | 198 Ų | 198 | 137.1 Ų | 137.1 | 75% | 0.75 | 73% | 0.733 | S | S | * | * | | | trans | -100 | 61.7 | -175.5 | -63.8 | 100.5 | 0 | 0 | 0 | 112.7 | S124 P129 | S124-W127 PolarHBondContact O-N 3.08Å; W127-P129 VanDerWaalsContact O-CD 3.28Å; W127-P129 WeakPolarHBondContact O-CD 3.43Å |
| 128 | T | 65.4 | Low | 53.7 | Low | 115 Ų | 115 | 135.9 Ų | 135.9 | 71% | 0.706 | 74% | 0.736 | S | S | * | * | | | trans | -76 | 113.7 | 166.1 | -55.6 | 0 | 0 | 0 | 0 | 108.8 | V126 V130 | V126-T128 PolarHBondContact O-N 2.97Å; T128-V130 PolarHBondContact O-N 3.5Å; T128-V130 VanDerWaalsContact O-N 3.13Å |
| 129 | P | 57.9 | Low | 52.7 | Low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | trans | -70.3 | 112.3 | -179.8 | 28.3 | -33.6 | 0 | 0 | 0 | 110.2 | W127 K131 | W127-P129 VanDerWaalsContact O-CD 3.28Å; W127-P129 WeakPolarHBondContact O-CD 3.43Å; P129-K131 PolarHBondContact O-N 2.92Å |
| 130 | V | 55.8 | Low | 52 | Low | 131 Ų | 131 | 133 Ų | 133 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | -66.3 | 100.1 | 177.1 | 179.9 | 0 | 0 | 0 | 0 | 109.5 | T128 R132 | T128-V130 PolarHBondContact O-N 3.5Å; T128-V130 VanDerWaalsContact O-N 3.13Å; V130-R132 PolarHBondContact O-N 2.78Å |
| 131 | K | 57.3 | Low | 51.1 | Low | 203 Ų | 203 | 131.5 Ų | 131.5 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | | | trans | -68.2 | 97 | 171.7 | -81.3 | -165.5 | 172.9 | -173.1 | 0 | 109.9 | P129 G133 | P129-K131 PolarHBondContact O-N 2.92Å; K131-G133 PolarHBondContact O-N 3.38Å |
| 132 | R | 58.4 | Low | 50.3 | Low | 217 Ų | 217 | 135.2 Ų | 135.2 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | | | trans | -67.3 | 120.9 | 160.1 | -63.5 | -160 | -61.8 | -103.9 | 5.5 | 108.5 | V130 C134 | V130-R132 PolarHBondContact O-N 2.78Å; R132-C134 PolarHBondContact O-N 3.22Å; R132-C134 VanDerWaalsContact O-N 3.16Å |
| 133 | G | 45.1 | Very low | 49 | Very low | 59 Ų | 59 | 132.8 Ų | 132.8 | 61% | 0.608 | 78% | 0.779 | S | S | * | * | | | trans | -73.3 | 99.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | K131 H135 | K131-G133 PolarHBondContact O-N 3.38Å; G133-H135 PolarHBondContact O-CD2 2.98Å; G133-H135 PolarHBondContact O-N 2.92Å |
| 134 | C | 45.9 | Very low | 48.2 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | | | trans | -74.8 | 89.5 | 174.8 | -65.2 | 0 | 0 | 0 | 0 | 110.3 | R132 S136 | R132-C134 PolarHBondContact O-N 3.22Å; R132-C134 VanDerWaalsContact O-N 3.16Å; C134-S136 VanDerWaalsContact C-N 3.25Å; C134-S136 PolarHBondContact O-N 2.99Å |
| 135 | H | 50.2 | Low | 47.2 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | | | trans | -71.7 | 81.2 | 170 | -66.4 | -81.9 | 0 | 0 | 0 | 110.1 | G133 | G133-H135 PolarHBondContact O-CD2 2.98Å; G133-H135 PolarHBondContact O-N 2.92Å |
| 136 | S | 45.7 | Very low | 45.9 | Very low | 102 Ų | 102 | 131 Ų | 131 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | | | trans | -136 | 90.8 | 175.8 | -65.7 | 0 | 0 | 0 | 0 | 110.7 | C134 G138 | C134-S136 VanDerWaalsContact C-N 3.25Å; C134-S136 PolarHBondContact O-N 2.99Å; S136-G138 PolarHBondContact O-N 2.97Å |
| 137 | R | 46.4 | Very low | 44.6 | Very low | 253 Ų | 253 | 130.7 Ų | 130.7 | 96% | 0.955 | 81% | 0.809 | S | S | * | * | | | trans | -9.7 | 110.2 | 156.8 | -177 | 162.8 | 57.3 | -132.2 | 1.2 | 113.1 | | |
| 138 | G | 40.8 | Very low | 43.9 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -73.9 | 169.7 | -157.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | S136 | S136-G138 PolarHBondContact O-N 2.97Š|
| 139 | A | 37.3 | Very low | 42.5 | Very low | 103 Ų | 103 | 127.8 Ų | 127.8 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | | | trans | -130.2 | 130.3 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 140 | S | 40.1 | Very low | 41.4 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | | | trans | -116.7 | 110.6 | -175.4 | -66 | 0 | 0 | 0 | 0 | 111.8 | | |
| 141 | S | 39.2 | Very low | 40.4 | Very low | 115 Ų | 115 | 129.9 Ų | 129.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -141.8 | 103.3 | 158.1 | 45.8 | 0 | 0 | 0 | 0 | 107.2 | | |
| 142 | S | 36.8 | Very low | 39.1 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | | | | 83.5 | 124 | 72 | -169.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 143 | G | 31.7 | Very low | 37.8 | Very low | 68 Ų | 68 | 119 Ų | 119 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | 122.7 | 59.7 | -161.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 144 | S | 33.9 | Very low | 37.4 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | | | | 67.3 | 111.1 | 78.6 | -166.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 145 | G | 30.3 | Very low | 36.5 | Very low | 84 Ų | 84 | 122.3 Ų | 122.3 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | | | trans | 161 | 22.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 146 | A | 35.8 | Very low | 35.7 | Very low | 103 Ų | 103 | 119.4 Ų | 119.4 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -138.1 | 120.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 147 | S | 33.4 | Very low | 35 | Very low | 115 Ų | 115 | 119.2 Ų | 119.2 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -81.9 | 122.3 | 180 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 148 | S | 34.1 | Very low | 34.2 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 70% | 0.699 | 81% | 0.813 | S | S | * | * | | | trans | 30.7 | 124.1 | 140.8 | -51.3 | 0 | 0 | 0 | 0 | 120.2 | | |
| 149 | L | 35.3 | Very low | 33.7 | Very low | 153 Ų | 153 | 119.7 Ų | 119.7 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | | | | -161.5 | 113.5 | 104.1 | -86.7 | 178 | 0 | 0 | 0 | 107.2 | | |
| 150 | L | 34.8 | Very low | 33.4 | Very low | 146 Ų | 146 | 120 Ų | 120 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | | 58.2 | 135.6 | 101.7 | -57.3 | -171.5 | 0 | 0 | 0 | 114.4 | | |
| 151 | L | 35 | Very low | 32.8 | Very low | 140 Ų | 140 | 119.6 Ų | 119.6 | 73% | 0.733 | 81% | 0.805 | S | S | * | * | | | cis | -160.8 | 164 | 21.1 | -159.6 | 67.1 | 0 | 0 | 0 | 112.1 | | |
| 152 | C | 31.7 | Very low | 32.3 | Very low | 120 Ų | 120 | 118.8 Ų | 118.8 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | 64.1 | 137.2 | 169.9 | -56.9 | 0 | 0 | 0 | 0 | 118 | | |
| 153 | G | 30.1 | Very low | 32.2 | Very low | 72 Ų | 72 | 119.1 Ų | 119.1 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | cis | 107.9 | 143.4 | -5.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 154 | P | 37.4 | Very low | 32.1 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | cis | -116.6 | 171.9 | -7 | 41 | -28.8 | 0 | 0 | 0 | 114.1 | | |
| 155 | S | 27 | Very low | 31.9 | Very low | 113 Ų | 113 | 122 Ų | 122 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | | | trans | -125.3 | 133.4 | 162.8 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | S157 | S155-S157 PolarHBondContact O-N 3.16Š|
| 156 | S | 33.1 | Very low | 31.9 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | | | trans | -80.6 | 94.9 | 179.2 | 52.9 | 0 | 0 | 0 | 0 | 111 | F158 | S156-F158 PolarHBondContact O-N 3.36Š|
| 157 | S | 31.4 | Very low | 31.8 | Very low | 98 Ų | 98 | 124 Ų | 124 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | trans | -69.6 | 123.5 | 171.8 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | S155 | S155-S157 PolarHBondContact O-N 3.16Š|
| 158 | F | 29.8 | Very low | 31.8 | Very low | 216 Ų | 216 | 123.2 Ų | 123.2 | 95% | 0.947 | 77% | 0.771 | S | S | * | * | | | trans | -137.5 | 123.2 | 143.3 | -85.2 | -68.3 | 0 | 0 | 0 | 109.6 | S156 | S156-F158 PolarHBondContact O-N 3.36Š|
| 159 | T | 29.5 | Very low | 32.4 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | | | trans | -115.6 | 146.8 | -179 | 50.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 160 | S | 30.3 | Very low | 32.5 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | 78.3 | 151.1 | 154.6 | -54.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 161 | S | 27.9 | Very low | 32.6 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | | | trans | 84.2 | 143.5 | 168.7 | 79.7 | 0 | 0 | 0 | 0 | 116.9 | | |
| 162 | S | 29.4 | Very low | 32.6 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 78% | 0.776 | S | S | * | * | | | cis | -171.6 | 160.1 | -29.7 | -151.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 163 | L | 33.5 | Very low | 32.7 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | trans | 67.8 | 142.3 | 156 | -65.5 | 156 | 0 | 0 | 0 | 120.2 | | |
| 164 | H | 30.4 | Very low | 33.2 | Very low | 158 Ų | 158 | 131.7 Ų | 131.7 | 73% | 0.731 | 79% | 0.785 | S | S | * | * | | | trans | 63.9 | 106.9 | 152.2 | -58.9 | -44.3 | 0 | 0 | 0 | 122.6 | | |
| 165 | S | 28.9 | Very low | 33.3 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | | 82 | 132.2 | 118.3 | -59.7 | 0 | 0 | 0 | 0 | 122.5 | | |
| 166 | S | 30.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | 79.1 | 144.6 | 143.8 | 72 | 0 | 0 | 0 | 0 | 122.1 | | |
| 167 | S | 32.9 | Very low | 33.9 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | 75.9 | 108.6 | 154.4 | -133.4 | 0 | 0 | 0 | 0 | 120 | | |
| 168 | S | 34 | Very low | 34 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | -63.3 | 173.8 | 137 | 53 | 0 | 0 | 0 | 0 | 110.9 | | |
| 169 | P | 47 | Very low | 34.3 | Very low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | | | cis | -112 | -155.1 | 5.9 | 30.5 | -6.5 | 0 | 0 | 0 | 110.2 | | |
| 170 | N | 37.7 | Very low | 34.5 | Very low | 150 Ų | 150 | 128 Ų | 128 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | cis | -166.1 | -174 | 36.2 | 58.2 | -0.9 | 0 | 0 | 0 | 115.9 | | |
| 171 | F | 36.2 | Very low | 34.7 | Very low | 183 Ų | 183 | 127.6 Ų | 127.6 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | | | trans | -62.7 | 152.6 | -163.3 | -97.8 | -135.8 | 0 | 0 | 0 | 118 | | |
| 172 | F | 35 | Very low | 35.1 | Very low | 167 Ų | 167 | 130.1 Ų | 130.1 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | | | trans | 22.2 | 128.9 | 141.7 | -72.9 | -100.5 | 0 | 0 | 0 | 120.5 | | |
| 173 | S | 34.6 | Very low | 35.1 | Very low | 126 Ų | 126 | 131.6 Ų | 131.6 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | | | | -155.7 | 148 | 123.6 | -83.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 174 | L | 39.8 | Very low | 35.2 | Very low | 163 Ų | 163 | 131.3 Ų | 131.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -103.3 | 133.7 | 179.8 | -66.6 | 167.1 | 0 | 0 | 0 | 110.6 | | |
| 175 | A | 41.1 | Very low | 35.1 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | | | trans | -148.5 | 95.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | | |
| 176 | L | 37.4 | Very low | 35.4 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | | 77 | 117 | 85 | -76.3 | 175.1 | 0 | 0 | 0 | 113.4 | | |
| 177 | S | 34.1 | Very low | 36.7 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | 74.2 | 148.6 | 162.1 | -50.7 | 0 | 0 | 0 | 0 | 118.7 | | |
| 178 | S | 34.4 | Very low | 36.9 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | | | cis | -172 | 111.1 | -27.4 | -97.7 | 0 | 0 | 0 | 0 | 109 | | |
| 179 | D | 36.4 | Very low | 37.1 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | | | trans | 168.5 | 114.2 | 149.2 | -99.7 | -43.8 | 0 | 0 | 0 | 107.1 | | |
| 180 | S | 32.6 | Very low | 37.3 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | | | | 70.6 | 122.3 | 79.6 | 88.7 | 0 | 0 | 0 | 0 | 112.6 | | |
| 181 | S | 34.8 | Very low | 37.6 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | cis | -155.1 | 169.1 | 0.1 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 182 | L | 35.8 | Very low | 38 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | | | trans | 66 | 96.2 | 167.6 | -53.5 | 179.7 | 0 | 0 | 0 | 118.3 | | |
| 183 | S | 29.7 | Very low | 38.3 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | | | trans | -149.6 | 126 | 146.6 | -173.3 | 0 | 0 | 0 | 0 | 111 | | |
| 184 | C | 36.6 | Very low | 38.6 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 91% | 0.905 | 77% | 0.774 | S | S | * | * | | | trans | -150.3 | 137 | 173.3 | -179.5 | 0 | 0 | 0 | 0 | 105.9 | | |
| 185 | G | 28.6 | Very low | 38.6 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | | | cis | -166.3 | 156.9 | -5.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 186 | F | 34.2 | Very low | 38.1 | Very low | 207 Ų | 207 | 132.1 Ų | 132.1 | 91% | 0.908 | 78% | 0.776 | S | S | * | * | | | trans | -88 | -172.8 | 173.2 | -81 | -85.6 | 0 | 0 | 0 | 110.4 | | |
| 187 | P | 58.8 | Low | 38.1 | Very low | 88 Ų | 88 | 129.1 Ų | 129.1 | 57% | 0.571 | 77% | 0.774 | S | S | * | * | | | cis | -134.8 | -176 | -19.5 | 12.7 | 14.6 | 0 | 0 | 0 | 114.6 | | |
| 188 | W | 35.9 | Very low | 38.2 | Very low | 238 Ų | 238 | 129.6 Ų | 129.6 | 90% | 0.902 | 78% | 0.775 | S | S | * | * | | | trans | 121.4 | 145.5 | 138.2 | -66.1 | 122.8 | 0 | 0 | 0 | 120.8 | | |
| 189 | D | 39.2 | Very low | 38.2 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 66% | 0.658 | 78% | 0.776 | S | S | * | * | | | trans | -150 | 147.1 | 169.4 | 158.9 | 50.8 | 0 | 0 | 0 | 104.6 | C191 | D189-C191 PolarHBondContact OD1-N 3.46Š|
| 190 | P | 51 | Low | 38 | Very low | 111 Ų | 111 | 126.7 Ų | 126.7 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | | | | -153.5 | 125.1 | 127.5 | 33.9 | -13.7 | 0 | 0 | 0 | 118.3 | | |
| 191 | C | 43.2 | Very low | 38.2 | Very low | 93 Ų | 93 | 126.9 Ų | 126.9 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | | | | 63.2 | 132.2 | 122.4 | -55.1 | 0 | 0 | 0 | 0 | 124.8 | D189 | D189-C191 PolarHBondContact OD1-N 3.46Š|
| 192 | D | 44.5 | Very low | 38.3 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | | | trans | 65.6 | 148.2 | 139.2 | -68.7 | -48.7 | 0 | 0 | 0 | 120.8 | | |
| 193 | T | 41.4 | Very low | 38.2 | Very low | 118 Ų | 118 | 126.8 Ų | 126.8 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | cis | -165.9 | 142.5 | 42.8 | -29.5 | 0 | 0 | 0 | 0 | 116.2 | | |
| 194 | L | 42.2 | Very low | 38.6 | Very low | 141 Ų | 141 | 126.5 Ų | 126.5 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | | | trans | 76.6 | 145.3 | 141.7 | -123.4 | 72.8 | 0 | 0 | 0 | 126.2 | | |
| 195 | K | 38.2 | Very low | 40.1 | Very low | 198 Ų | 198 | 125.8 Ų | 125.8 | 86% | 0.861 | 77% | 0.766 | S | S | * | * | | | trans | 71.5 | 147 | 159.7 | -74.8 | 160.7 | 178.2 | -79.6 | 0 | 118 | | |
| 196 | G | 31.4 | Very low | 40.5 | Very low | 77 Ų | 77 | 127.7 Ų | 127.7 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | cis | -147.7 | -173 | 3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 197 | A | 37.7 | Very low | 40.6 | Very low | 96 Ų | 96 | 122.8 Ų | 122.8 | 79% | 0.793 | 76% | 0.76 | S | S | * | * | | | trans | -128.2 | 179.8 | -158.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 198 | C | 34.9 | Very low | 39.5 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | trans | 80.4 | 147.3 | 171.9 | -57.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 199 | S | 35.2 | Very low | 39.5 | Very low | 107 Ų | 107 | 118.2 Ų | 118.2 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | | | cis | -167.1 | 161.3 | -9.6 | -105.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 200 | A | 31.6 | Very low | 39.3 | Very low | 89 Ų | 89 | 117.5 Ų | 117.5 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | trans | 68.6 | 112.9 | 146.3 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 201 | S | 36.9 | Very low | 38.6 | Very low | 105 Ų | 105 | 117.4 Ų | 117.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | | | | 75.2 | 112.7 | 118.5 | -56.2 | 0 | 0 | 0 | 0 | 125 | | |
| 202 | L | 37.4 | Very low | 39.1 | Very low | 170 Ų | 170 | 119 Ų | 119 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | | 51.1 | 116.5 | 124.2 | -55.6 | 176.2 | 0 | 0 | 0 | 122.1 | | |
| 203 | A | 34.1 | Very low | 38.9 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | | -172.6 | 147.1 | 128.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 204 | T | 38.5 | Very low | 39.7 | Very low | 124 Ų | 124 | 115.9 Ų | 115.9 | 76% | 0.761 | 78% | 0.778 | S | S | * | * | | | trans | -147 | -175.1 | 168.8 | 56.8 | 0 | 0 | 0 | 0 | 108.3 | | |
| 205 | P | 67.6 | Low | 39.5 | Very low | 118 Ų | 118 | 116.4 Ų | 116.4 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | | | | -124.5 | -178.1 | -55.6 | 36.1 | -20.7 | 0 | 0 | 0 | 112.2 | | |
| 206 | S | 36.6 | Very low | 39.6 | Very low | 111 Ų | 111 | 113 Ų | 113 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | | | trans | 178.9 | 157.7 | 157.5 | 31.5 | 0 | 0 | 0 | 0 | 112 | | |
| 207 | S | 36.8 | Very low | 39.9 | Very low | 104 Ų | 104 | 113.8 Ų | 113.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | cis | -168.3 | 154.4 | -19.4 | -96.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 208 | C | 34.2 | Very low | 39.8 | Very low | 122 Ų | 122 | 115.6 Ų | 115.6 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | | | trans | 65.3 | 133.2 | 156.6 | -63 | 0 | 0 | 0 | 0 | 119.5 | | |
| 209 | S | 37.6 | Very low | 40.2 | Very low | 108 Ų | 108 | 111.2 Ų | 111.2 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | | | | 91.4 | 143.8 | 51.2 | -151.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 210 | S | 34.9 | Very low | 40.4 | Very low | 108 Ų | 108 | 110.8 Ų | 110.8 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | | | cis | -147 | 168.1 | 15.1 | -51 | 0 | 0 | 0 | 0 | 112.7 | | |
| 211 | S | 35.2 | Very low | 40.7 | Very low | 108 Ų | 108 | 114.8 Ų | 114.8 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | | | trans | -93.7 | 161.2 | 156.4 | -170.1 | 0 | 0 | 0 | 0 | 110.1 | | |
| 212 | P | 53.5 | Low | 40.7 | Very low | 126 Ų | 126 | 117.1 Ų | 117.1 | 82% | 0.818 | 73% | 0.727 | S | S | * | * | | | | -150.9 | 162.8 | 100.3 | 38.7 | -21.7 | 0 | 0 | 0 | 116.9 | | |
| 213 | A | 41.6 | Very low | 40.8 | Very low | 86 Ų | 86 | 120.1 Ų | 120.1 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | | | trans | -114.4 | 172 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 214 | P | 56.5 | Low | 41.5 | Very low | 113 Ų | 113 | 126 Ų | 126 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | | | | -160.3 | 177.5 | 109.4 | 41.1 | -21.6 | 0 | 0 | 0 | 118.2 | | |
| 215 | L | 38.7 | Very low | 41.5 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | | | trans | 70.1 | 119.8 | 162.8 | -47.4 | -171.7 | 0 | 0 | 0 | 118.1 | | |
| 216 | V | 40.1 | Very low | 40.2 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 76% | 0.758 | 73% | 0.729 | S | S | * | * | | | | 81.4 | 120.8 | 52.6 | 171.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 217 | S | 38.1 | Very low | 40.4 | Very low | 94 Ų | 94 | 131.7 Ų | 131.7 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | | | cis | -158.2 | -90.3 | -6.1 | 174.1 | 0 | 0 | 0 | 0 | 113.6 | P97 | P97-S217 VanDerWaalsContact CG-CA 3.48Š|
| 218 | H | 36.4 | Very low | 40.3 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 63% | 0.625 | 73% | 0.734 | S | S | * | * | | | cis | -119.1 | 0 | -19.4 | -127.4 | -91.7 | 0 | 0 | 0 | 96 | P96 P97 | P96-H218 VanDerWaalsContact C-C 3.44Å; P96-H218 VanDerWaalsContact C-CA 3.48Å; P96-H218 HydrophobicContact CB-CB 4.06Å; P97-H218 VanDerWaalsContact C-CG 3.47Å; P97-H218 VanDerWaalsContact CA-ND1 3.28Å; P97-H218 WeakPolarHBondContact CA-ND1 3.22Å; P97-H218 HydrophobicContact CB-CB 2.31Å; P97-H218 WeakPolarHBondContact CB-CD2 3.28Å; P97-H218 HydrophobicContact CG-CB 2.28Å; P97-H218 PolarHBondContact O-ND1 3.13Å |
| 219 | S | 41.8 | Very low | 40.6 | Very low | 30 Ų | 30 | 131 Ų | 131 | 21% | 0.21 | 73% | 0.73 | C | S | . | * | | | | 0 | 119.4 | 0 | 75.1 | 0 | 0 | 0 | 0 | 101.2 | P96 P97 P98 K100 | P96-S219 CarbonylContact C-O 3.57Å; P97-S219 CarbonylContact C-O 3.46Å; P97-S219 VanDerWaalsContact CA-CA 3.44Å; P97-S219 VanDerWaalsContact CA-O 3.28Å; P97-S219 WeakPolarHBondContact CA-O 3.31Å; P97-S219 VanDerWaalsContact O-O 3.13Å; P98-S219 WeakPolarHBondContact CA-O 3.46Å; P98-S219 WeakPolarHBondContact CA-OG 3.25Å; P98-S219 WeakPolarHBondContact CD-OG 3.45Å; P98-S219 VanDerWaalsContact N-N 3.19Å; P98-S219 WeakPolarHBondContact O-CB 3.43Å; P98-S219 PolarHBondContact O-OG 3.42Å; K100-S219 PolarHBondContact N-OG 2.96Å; K100-S219 VanDerWaalsContact N-OG 3.11Å |
| 220 | I | 40 | Very low | 40.9 | Very low | 98 Ų | 98 | 132 Ų | 132 | 50% | 0.503 | 73% | 0.731 | S | S | . | * | | | cis | -158.2 | 172.1 | -6.6 | 4.6 | 152 | 0 | 0 | 0 | 109.4 | P98 | P98-I220 VanDerWaalsContact CA-N 3.29Å; P98-I220 HydrophobicContact CB-CB 3.67Å; P98-I220 HydrophobicContact CB-CG1 3.45Å; P98-I220 VanDerWaalsContact CB-CG1 3.45Å; P98-I220 HydrophobicContact CB-CG2 3.71Å; P98-I220 WeakPolarHBondContact O-CG1 3.38Å |
| 221 | L | 38.8 | Very low | 41.4 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 91% | 0.906 | 74% | 0.737 | S | S | * | * | | | trans | -137.2 | 153.7 | 138.7 | -101.4 | -174.9 | 0 | 0 | 0 | 112.5 | | |
| 222 | H | 36.4 | Very low | 41.5 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | | | trans | -99.4 | 152.7 | -175.1 | -79.3 | 176.4 | 0 | 0 | 0 | 114.7 | | |
| 223 | R | 38.6 | Very low | 40.8 | Very low | 232 Ų | 232 | 141.3 Ų | 141.3 | 88% | 0.875 | 74% | 0.742 | S | S | * | * | | | trans | -140.4 | 104.4 | 152.7 | -171.3 | 177.3 | -66.6 | -115.2 | 1.2 | 111.5 | | |
| 224 | R | 49.6 | Very low | 40.6 | Very low | 226 Ų | 226 | 143.4 Ų | 143.4 | 85% | 0.853 | 75% | 0.746 | S | S | * | * | | | trans | -86 | 138.6 | 155.8 | -72.8 | 176 | 170 | 170.1 | -5.9 | 107.7 | | |
| 225 | F | 38.1 | Very low | 39.3 | Very low | 199 Ų | 199 | 142.7 Ų | 142.7 | 87% | 0.873 | 75% | 0.75 | S | S | * | * | | | trans | -155.2 | 152.9 | 143.5 | -97.7 | -64.2 | 0 | 0 | 0 | 109.9 | | |
| 226 | S | 40.3 | Very low | 39.1 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | | | trans | -156 | 155 | -169.1 | 54.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 227 | L | 40.4 | Very low | 38.9 | Very low | 173 Ų | 173 | 140.5 Ų | 140.5 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | | | trans | 84.6 | 136.2 | 166.8 | -50.3 | -175.3 | 0 | 0 | 0 | 118.4 | | |
| 228 | S | 36.1 | Very low | 38.9 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | | | trans | -44.1 | 150.8 | 172.3 | -170.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 229 | P | 40.3 | Very low | 38.8 | Very low | 114 Ų | 114 | 138.7 Ų | 138.7 | 74% | 0.74 | 77% | 0.767 | S | S | * | * | | | trans | -68.8 | 146.2 | 160.7 | 32.1 | -34.7 | 0 | 0 | 0 | 111 | | |
| 230 | V | 43.3 | Very low | 38.3 | Very low | 129 Ų | 129 | 145.1 Ų | 145.1 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | | | trans | -122.9 | 137.4 | 160.7 | 173 | 0 | 0 | 0 | 0 | 106.4 | | |
| 231 | H | 45.6 | Very low | 38 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 88% | 0.875 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 133.8 | -174.6 | -72.5 | 90 | 0 | 0 | 0 | 111.7 | | |
| 232 | I | 36.7 | Very low | 38.1 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 124.3 | 176 | -59.2 | 170.9 | 0 | 0 | 0 | 108.2 | V234 | I232-V234 HydrophobicContact CG2-CG2 3.89Š|
| 233 | Q | 39.5 | Very low | 38.1 | Very low | 199 Ų | 199 | 146 Ų | 146 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -90 | 138.7 | 155.1 | -79.4 | -170.3 | -15.7 | 0 | 0 | 109 | | |
| 234 | V | 36.6 | Very low | 38.2 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | | | trans | -112 | 116.8 | -165.8 | 177.1 | 0 | 0 | 0 | 0 | 110.6 | I232 | I232-V234 HydrophobicContact CG2-CG2 3.89Š|
| 235 | A | 30.4 | Very low | 37.4 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -163.4 | 101.3 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 236 | S | 33.4 | Very low | 37.9 | Very low | 125 Ų | 125 | 130.4 Ų | 130.4 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -152.3 | 105.7 | 160.6 | -96.2 | 0 | 0 | 0 | 0 | 108.7 | | |
| 237 | A | 37.2 | Very low | 37.6 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | | | trans | -82.5 | 126.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 238 | A | 37.8 | Very low | 37.5 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | -65.6 | 157.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 239 | S | 33.3 | Very low | 37.6 | Very low | 100 Ų | 100 | 132.8 Ų | 132.8 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | cis | -174.5 | -166.8 | -7.9 | 45.4 | 0 | 0 | 0 | 0 | 109.1 | | |
| 240 | L | 32.5 | Very low | 37.6 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | 98.3 | 125.9 | 159.2 | -53.8 | 174 | 0 | 0 | 0 | 119.7 | | |
| 241 | H | 32.5 | Very low | 37.5 | Very low | 174 Ų | 174 | 132.4 Ų | 132.4 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | | | trans | -50.8 | 159.8 | 157.3 | -178 | -113.6 | 0 | 0 | 0 | 113.3 | | |
| 242 | P | 40.5 | Very low | 37.1 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | | | cis | -132.2 | -173.5 | 20 | 21.9 | 4.6 | 0 | 0 | 0 | 117 | | |
| 243 | Q | 36.7 | Very low | 37 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | trans | -60 | 154.6 | 156.8 | -84.4 | -78 | -31.4 | 0 | 0 | 111.9 | | |
| 244 | P | 40.8 | Very low | 36.9 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | | -145.1 | 172.8 | 53 | 41 | -21.3 | 0 | 0 | 0 | 119.4 | | |
| 245 | S | 34.1 | Very low | 37 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | | | trans | -11.1 | 142.6 | 146.1 | -163.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 246 | P | 48.1 | Very low | 37 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | | -155.4 | -172.3 | 51.1 | 44.5 | -23.1 | 0 | 0 | 0 | 119.9 | | |
| 247 | A | 32.8 | Very low | 37.8 | Very low | 81 Ų | 81 | 124.5 Ų | 124.5 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | trans | 90.2 | 108.2 | 147.2 | 0 | 0 | 0 | 0 | 0 | 122 | | |
| 248 | H | 39.7 | Very low | 37.7 | Very low | 187 Ų | 187 | 128.6 Ų | 128.6 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | | | trans | 23.6 | 120.1 | 135.4 | -50.9 | -83.8 | 0 | 0 | 0 | 121.7 | | |
| 249 | V | 37.6 | Very low | 37.9 | Very low | 153 Ų | 153 | 132.9 Ų | 132.9 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | | | | -135.8 | 145 | 127.4 | 179.2 | 0 | 0 | 0 | 0 | 108 | | |
| 250 | L | 41.2 | Very low | 38.7 | Very low | 148 Ų | 148 | 132.8 Ų | 132.8 | 78% | 0.775 | 76% | 0.761 | S | S | * | * | | | trans | -127 | 122.4 | -178 | 179.2 | 126.7 | 0 | 0 | 0 | 111.7 | | |
| 251 | A | 39.9 | Very low | 38.7 | Very low | 87 Ų | 87 | 130.4 Ų | 130.4 | 72% | 0.719 | 76% | 0.758 | S | S | * | * | | | trans | -152.3 | 123.7 | 159.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 252 | H | 37.5 | Very low | 38.9 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | | | | 58 | 125.2 | 71.9 | -70.4 | -56.1 | 0 | 0 | 0 | 112.8 | | |
| 253 | S | 35.6 | Very low | 38.6 | Very low | 73 Ų | 73 | 131 Ų | 131 | 51% | 0.51 | 77% | 0.768 | S | S | . | * | | | cis | -170.1 | 151 | 5.6 | -111.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 254 | F | 37.4 | Very low | 39.2 | Very low | 197 Ų | 197 | 128.6 Ų | 128.6 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | 54.5 | 154.1 | 150.6 | -62.2 | -53.7 | 0 | 0 | 0 | 120.2 | | |
| 255 | S | 37.1 | Very low | 38.9 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | cis | -163.4 | 153.8 | -21.1 | -177.1 | 0 | 0 | 0 | 0 | 108 | | |
| 256 | G | 31.2 | Very low | 39.9 | Very low | 67 Ų | 67 | 129.4 Ų | 129.4 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | | | trans | 172.8 | 104.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 257 | P | 50.3 | Low | 39.5 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | | | trans | -80 | 170.7 | 164.7 | 39.7 | -37 | 0 | 0 | 0 | 109.5 | | |
| 258 | E | 35.8 | Very low | 39.7 | Very low | 193 Ų | 193 | 132.3 Ų | 132.3 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | cis | -134.9 | -166.3 | 29.5 | -61.6 | -176.2 | 109.5 | 0 | 0 | 114.1 | | |
| 259 | H | 42.2 | Very low | 39.6 | Very low | 181 Ų | 181 | 127.6 Ų | 127.6 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | trans | -125.5 | -178.9 | -164.8 | -143.7 | -144.2 | 0 | 0 | 0 | 109.1 | | |
| 260 | P | 48.8 | Very low | 39.4 | Very low | 98 Ų | 98 | 126 Ų | 126 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | | | cis | -128.9 | 172.3 | -39.6 | 27.8 | -9 | 0 | 0 | 0 | 113.7 | | |
| 261 | S | 33.6 | Very low | 39 | Very low | 115 Ų | 115 | 123.9 Ų | 123.9 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | | -169.3 | 119.8 | 129.6 | 21.3 | 0 | 0 | 0 | 0 | 115.1 | | |
| 262 | L | 35.4 | Very low | 39.3 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | | | trans | 42.1 | 105.1 | 139.8 | -57.3 | 174.1 | 0 | 0 | 0 | 120.6 | | |
| 263 | C | 35.6 | Very low | 39.8 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -70.1 | 170.8 | 140.1 | -67.5 | 0 | 0 | 0 | 0 | 110.2 | | |
| 264 | P | 47.6 | Very low | 40.1 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | cis | -145.1 | -179.2 | 19.2 | 45.1 | -26.6 | 0 | 0 | 0 | 118.6 | | |
| 265 | S | 35.2 | Very low | 40.4 | Very low | 111 Ų | 111 | 123 Ų | 123 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | 87 | 146.4 | 147.2 | -66.8 | 0 | 0 | 0 | 0 | 120.8 | | |
| 266 | P | 56 | Low | 40.7 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | | | trans | -101.1 | 161.6 | -176.4 | 40.1 | -35.6 | 0 | 0 | 0 | 113.6 | | |
| 267 | T | 39 | Very low | 41.4 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | | | trans | 166.5 | 118.3 | 134.8 | -74.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 268 | S | 36.5 | Very low | 41.8 | Very low | 121 Ų | 121 | 135.2 Ų | 135.2 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -179.2 | 157.8 | 133.1 | -166.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 269 | A | 37.3 | Very low | 42.4 | Very low | 87 Ų | 87 | 133.5 Ų | 133.5 | 72% | 0.719 | 80% | 0.798 | S | S | * | * | | | trans | -116.1 | 153.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 270 | C | 33.5 | Very low | 42.9 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | | | trans | 53.6 | 114.7 | 152.5 | -166.5 | 0 | 0 | 0 | 0 | 119.3 | | |
| 271 | S | 34.3 | Very low | 43 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -161.4 | 133.6 | 135 | -85.2 | 0 | 0 | 0 | 0 | 113.1 | | |
| 272 | T | 45.8 | Very low | 44 | Very low | 119 Ų | 119 | 137 Ų | 137 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | | | trans | 43.1 | 114.7 | 151.5 | 58.5 | 0 | 0 | 0 | 0 | 120.8 | | |
| 273 | P | 47.3 | Very low | 45.3 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | | | trans | -69.5 | 140.1 | 146.1 | 31.6 | -32.5 | 0 | 0 | 0 | 110.1 | | |
| 274 | S | 43.2 | Very low | 46.4 | Very low | 117 Ų | 117 | 135 Ų | 135 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -77.6 | 142.8 | -175.5 | -172.4 | 0 | 0 | 0 | 0 | 113.2 | S276 | S274-S276 PolarHBondContact O-N 3.37Å; S274-S276 VanDerWaalsContact O-N 3.13Å |
| 275 | C | 43.4 | Very low | 46.8 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | | | trans | -79.3 | 92.4 | 178 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | R277 | C275-R277 PolarHBondContact O-N 3.03Å; C275-R277 VanDerWaalsContact O-N 3.08Å |
| 276 | S | 43.3 | Very low | 47.7 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | | | trans | -76.7 | 95.1 | 171.7 | -173.6 | 0 | 0 | 0 | 0 | 111.5 | S274 | S274-S276 PolarHBondContact O-N 3.37Å; S274-S276 VanDerWaalsContact O-N 3.13Å |
| 277 | R | 46.2 | Very low | 47.3 | Very low | 212 Ų | 212 | 141.3 Ų | 141.3 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | | | trans | 24.6 | 108.2 | 146.1 | -62.1 | 178 | -176.7 | -90.7 | -4.3 | 117.2 | C275 | C275-R277 PolarHBondContact O-N 3.03Å; C275-R277 VanDerWaalsContact O-N 3.08Å |
| 278 | R | 58.1 | Low | 47.9 | Very low | 231 Ų | 231 | 142.8 Ų | 142.8 | 87% | 0.872 | 81% | 0.809 | S | S | * | * | | | trans | 14.9 | 106.8 | 143.6 | -53.4 | -176.2 | -54 | -150.9 | 4.5 | 116.3 | | |
| 279 | D | 47.9 | Very low | 49.2 | Very low | 157 Ų | 157 | 142 Ų | 142 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | | | trans | -149 | 134.7 | 135.4 | -105.8 | -38.6 | 0 | 0 | 0 | 110.4 | | |
| 280 | L | 53.9 | Low | 50.6 | Low | 164 Ų | 164 | 145.9 Ų | 145.9 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 56.2 | 133.6 | -177.3 | -54.3 | 178.5 | 0 | 0 | 0 | 116.6 | P282 | L280-P282 WeakPolarHBondContact O-CD 3.46Š|
| 281 | H | 50.2 | Low | 51.7 | Low | 184 Ų | 184 | 145.7 Ų | 145.7 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | | | trans | -64.6 | 130.9 | 168 | -71.7 | -104.8 | 0 | 0 | 0 | 109.4 | A283 | H281-A283 PolarHBondContact O-N 3.36Š|
| 282 | P | 55.3 | Low | 53 | Low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | | | trans | -60.8 | 105.8 | 160.9 | -18.9 | 32.1 | 0 | 0 | 0 | 107.7 | L280 L284 | L280-P282 WeakPolarHBondContact O-CD 3.46Å; P282-L284 PolarHBondContact O-N 3Å |
| 283 | A | 61.4 | Low | 53.4 | Low | 94 Ų | 94 | 146 Ų | 146 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | | | trans | -58.4 | 112.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | H281 | H281-A283 PolarHBondContact O-N 3.36Š|
| 284 | L | 59.1 | Low | 53.9 | Low | 156 Ų | 156 | 146.5 Ų | 146.5 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | | | trans | -49.3 | 133.1 | -178.1 | -67 | 173.2 | 0 | 0 | 0 | 108.5 | P282 R286 | P282-L284 PolarHBondContact O-N 3Å; L284-R286 PolarHBondContact O-N 3.02Å |
| 285 | P | 55.8 | Low | 54.6 | Low | 120 Ų | 120 | 151.2 Ų | 151.2 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -63.3 | 92.8 | 178.9 | 25.8 | -33.5 | 0 | 0 | 0 | 108.1 | C287 | P285-C287 PolarHBondContact O-N 3Š|
| 286 | R | 54.6 | Low | 55.5 | Low | 231 Ų | 231 | 153.1 Ų | 153.1 | 87% | 0.872 | 79% | 0.787 | S | S | * | * | | | trans | -55.3 | 110.1 | -173.5 | 176.6 | -178.9 | 178.1 | 86.2 | -1.5 | 106.9 | L284 H288 | L284-R286 PolarHBondContact O-N 3.02Å; R286-H288 VanDerWaalsContact C-N 3.33Å; R286-H288 PolarHBondContact O-N 3.16Å |
| 287 | C | 46.2 | Very low | 56.1 | Low | 121 Ų | 121 | 153 Ų | 153 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -53.5 | 98 | -172.9 | -64.3 | 0 | 0 | 0 | 0 | 109.7 | P285 S289 | P285-C287 PolarHBondContact O-N 3Å; C287-S289 PolarHBondContact O-N 2.99Å |
| 288 | H | 52.5 | Low | 56.7 | Low | 172 Ų | 172 | 153.9 Ų | 153.9 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | | | trans | -79.2 | 82.5 | -178.9 | -148.7 | -49.7 | 0 | 0 | 0 | 105.9 | R286 Q290 | R286-H288 VanDerWaalsContact C-N 3.33Å; R286-H288 PolarHBondContact O-N 3.16Å; H288-Q290 PolarHBondContact O-N 3.33Å |
| 289 | S | 64 | Low | 56.8 | Low | 103 Ų | 103 | 150 Ų | 150 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -48.9 | 119.7 | 168.2 | 44.3 | 0 | 0 | 0 | 0 | 107 | C287 | C287-S289 PolarHBondContact O-N 2.99Š|
| 290 | Q | 66.8 | Low | 57.7 | Low | 170 Ų | 170 | 151.9 Ų | 151.9 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | | | trans | -56.7 | 134.7 | 175.1 | -71.3 | -177.9 | -39.1 | 0 | 0 | 107.2 | H288 C292 | H288-Q290 PolarHBondContact O-N 3.33Å; Q290-C292 PolarHBondContact O-N 3.04Å |
| 291 | P | 56.6 | Low | 58.4 | Low | 116 Ų | 116 | 155.2 Ų | 155.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | -60.3 | 113.3 | 171.1 | 25.9 | -32.2 | 0 | 0 | 0 | 107.2 | D293 | P291-D293 PolarHBondContact O-N 2.86Š|
| 292 | C | 60.6 | Low | 59 | Low | 110 Ų | 110 | 158.2 Ų | 158.2 | 74% | 0.743 | 79% | 0.788 | S | S | * | * | | | trans | -57.6 | 111.3 | 177.5 | -59.7 | 0 | 0 | 0 | 0 | 108 | Q290 M294 | Q290-C292 PolarHBondContact O-N 3.04Å; C292-M294 VanDerWaalsContact C-N 3.29Å; C292-M294 PolarHBondContact O-N 2.83Å |
| 293 | D | 55.2 | Low | 59.3 | Low | 120 Ų | 120 | 159.9 Ų | 159.9 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | | | trans | -73.2 | 85.6 | -173.6 | -173.2 | 15.8 | 0 | 0 | 0 | 111.3 | P291 R295 | P291-D293 PolarHBondContact O-N 2.86Å; D293-R295 PolarHBondContact O-N 3.37Å; D293-R295 VanDerWaalsContact O-N 3.08Å; D293-R295 WeakPolarHBondContact OD1-CB 3.22Å; D293-R295 WeakPolarHBondContact OD1-CD 3Å; D293-R295 WeakPolarHBondContact OD1-CG 3.28Å; D293-R295 PolarHBondContact OD1-N 2.59Å; D293-R295 IonicContact OD1-NE 3.92Å |
| 294 | M | 57.4 | Low | 59.6 | Low | 142 Ų | 142 | 159.4 Ų | 159.4 | 70% | 0.7 | 77% | 0.77 | S | S | * | * | | | trans | -75.4 | 15.6 | -179.5 | -72.2 | -54.9 | -50.4 | 0 | 0 | 113.8 | C292 K296 P297 | C292-M294 VanDerWaalsContact C-N 3.29Å; C292-M294 PolarHBondContact O-N 2.83Å; M294-K296 PolarHBondContact O-N 3.14Å; M294-P297 WeakPolarHBondContact O-CD 3.48Å |
| 295 | R | 58.2 | Low | 59.7 | Low | 216 Ų | 216 | 157.2 Ų | 157.2 | 82% | 0.815 | 77% | 0.765 | S | S | * | * | | | trans | -64.8 | 9.2 | 178.1 | -75.7 | 173.4 | 176.9 | -175.8 | -3.6 | 115.8 | D293 | D293-R295 PolarHBondContact O-N 3.37Å; D293-R295 VanDerWaalsContact O-N 3.08Å; D293-R295 WeakPolarHBondContact OD1-CB 3.22Å; D293-R295 WeakPolarHBondContact OD1-CD 3Å; D293-R295 WeakPolarHBondContact OD1-CG 3.28Å; D293-R295 PolarHBondContact OD1-N 2.59Å; D293-R295 IonicContact OD1-NE 3.92Å |
| 296 | K | 62.5 | Low | 60 | Low | 164 Ų | 164 | 158.4 Ų | 158.4 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | | | trans | -132.9 | 65 | 172.3 | -64.9 | -173.6 | -178.5 | 177.1 | 0 | 113.2 | M294 R298 | M294-K296 PolarHBondContact O-N 3.14Å; K296-R298 PolarHBondContact O-N 3.47Å |
| 297 | P | 56.1 | Low | 60.4 | Low | 109 Ų | 109 | 151.1 Ų | 151.1 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 14.2 | -178 | 32.3 | -37.8 | 0 | 0 | 0 | 115 | M294 | M294-P297 WeakPolarHBondContact O-CD 3.48Š|
| 298 | R | 57.8 | Low | 61.5 | Low | 232 Ų | 232 | 152.6 Ų | 152.6 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | 16 | -176 | -69.2 | -165 | 174.9 | -151.8 | -1.7 | 115.6 | K296 K300 | K296-R298 PolarHBondContact O-N 3.47Å; R298-K300 PolarHBondContact O-N 3.16Å |
| 299 | L | 60.8 | Low | 62.3 | Low | 150 Ų | 150 | 149.5 Ų | 149.5 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | | | trans | -78.7 | 57.9 | 167.7 | -128.6 | 76 | 0 | 0 | 0 | 111.6 | R301 | L299-R301 PolarHBondContact O-N 3.43Å; L299-R301 VanDerWaalsContact O-N 3.1Å |
| 300 | K | 66.9 | Low | 62.3 | Low | 196 Ų | 196 | 150 Ų | 150 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | | | trans | -64.2 | 110 | 170.2 | -164.4 | 174.3 | -174.6 | -178.8 | 0 | 106.5 | R298 R302 | R298-K300 PolarHBondContact O-N 3.16Å; K300-R302 PolarHBondContact O-N 2.98Å |
| 301 | R | 67.8 | Low | 62.4 | Low | 233 Ų | 233 | 147.5 Ų | 147.5 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 131.1 | 178 | -66.4 | -169.5 | -60.7 | 166.4 | 3.2 | 108.2 | L299 H303 | L299-R301 PolarHBondContact O-N 3.43Å; L299-R301 VanDerWaalsContact O-N 3.1Å; R301-H303 PolarHBondContact O-N 3.31Å |
| 302 | R | 63.8 | Low | 63.2 | Low | 247 Ų | 247 | 153 Ų | 153 | 93% | 0.932 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 129.4 | 175.7 | -71.2 | -176.3 | 173 | -173.4 | -3.7 | 107.8 | K300 D304 | K300-R302 PolarHBondContact O-N 2.98Å; R302-D304 PolarHBondContact O-N 3.12Å |
| 303 | H | 62.3 | Low | 64 | Low | 156 Ų | 156 | 154 Ų | 154 | 72% | 0.722 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 117.3 | 166.3 | -166.9 | -60.8 | 0 | 0 | 0 | 105.8 | R301 | R301-H303 PolarHBondContact O-N 3.31Š|
| 304 | D | 67 | Low | 65 | Low | 83 Ų | 83 | 151.6 Ų | 151.6 | 44% | 0.444 | 76% | 0.758 | S | S | . | * | P | Polyproline II helix | trans | -71.7 | 122.4 | 172.4 | -165.7 | -37.9 | 0 | 0 | 0 | 107.4 | R302 D306 V307 | R302-D304 PolarHBondContact O-N 3.12Å; D304-D306 VanDerWaalsContact C-N 3.27Å; D304-D306 PolarHBondContact OD1-N 3.16Å; D304-D306 VanDerWaalsContact OD1-N 3.1Å; D304-V307 HydrophobicContact CB-CB 4.11Å; D304-V307 HydrophobicContact CB-CG2 3.7Å |
| 305 | P | 61.9 | Low | 66.2 | Low | 110 Ų | 110 | 150.6 Ų | 150.6 | 71% | 0.714 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -70.9 | -25 | -178.4 | 30 | -35.1 | 0 | 0 | 0 | 112.4 | | |
| 306 | D | 61.8 | Low | 67.3 | Low | 146 Ų | 146 | 143.4 Ų | 143.4 | 78% | 0.781 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -89.9 | -9 | -174.2 | -58.4 | -33.5 | 0 | 0 | 0 | 112 | D304 L308 | D304-D306 VanDerWaalsContact C-N 3.27Å; D304-D306 PolarHBondContact OD1-N 3.16Å; D304-D306 VanDerWaalsContact OD1-N 3.1Å; D306-L308 PolarHBondContact O-N 3.31Å |
| 307 | V | 62.1 | Low | 68.2 | Low | 78 Ų | 78 | 142.3 Ų | 142.3 | 47% | 0.473 | 73% | 0.728 | S | S | . | * | S | Bend | trans | -81.9 | 99.6 | 170.1 | 177.1 | 0 | 0 | 0 | 0 | 109.4 | D304 | D304-V307 HydrophobicContact CB-CB 4.11Å; D304-V307 HydrophobicContact CB-CG2 3.7Å |
| 308 | L | 69.3 | Low | 69.2 | Low | 151 Ų | 151 | 141.4 Ų | 141.4 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | | | trans | -45.5 | 132.2 | 166.5 | -69.2 | 175.3 | 0 | 0 | 0 | 110.1 | D306 C310 | D306-L308 PolarHBondContact O-N 3.31Å; L308-C310 PolarHBondContact O-N 3.15Å |
| 309 | P | 69.4 | Low | 70 | Confident | 108 Ų | 108 | 137.1 Ų | 137.1 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | | | trans | -57.3 | 112.5 | -178.8 | -25.8 | 34.3 | 0 | 0 | 0 | 111 | S311 | P309-S311 PolarHBondContact O-N 2.95Š|
| 310 | C | 63.7 | Low | 70.6 | Confident | 113 Ų | 113 | 134.6 Ų | 134.6 | 76% | 0.764 | 70% | 0.697 | S | S | * | * | | | trans | -54.4 | 111 | 175.9 | -62.8 | 0 | 0 | 0 | 0 | 109 | L308 R312 | L308-C310 PolarHBondContact O-N 3.15Å; C310-R312 PolarHBondContact O-N 2.9Å |
| 311 | S | 68.6 | Low | 70.8 | Confident | 117 Ų | 117 | 130.6 Ų | 130.6 | 82% | 0.818 | 69% | 0.689 | S | S | * | * | | | trans | -48.6 | 112.8 | -176.3 | -56.5 | 0 | 0 | 0 | 0 | 109.7 | P309 | P309-S311 PolarHBondContact O-N 2.95Š|
| 312 | R | 73.8 | Confident | 70.8 | Confident | 231 Ų | 231 | 126.7 Ų | 126.7 | 87% | 0.872 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 130.3 | -179.3 | -69.7 | -171.6 | 179.8 | -159.9 | 3.4 | 107.9 | C310 G314 | C310-R312 PolarHBondContact O-N 2.9Å; R312-G314 PolarHBondContact O-N 3.02Å |
| 313 | P | 76.9 | Confident | 70.7 | Confident | 131 Ų | 131 | 123.2 Ų | 123.2 | 85% | 0.851 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 118.4 | 176.1 | -28.3 | 35.7 | 0 | 0 | 0 | 109.8 | L315 | P313-L315 PolarHBondContact O-N 2.88Š|
| 314 | G | 78.1 | Confident | 70.7 | Confident | 70 Ų | 70 | 119.4 Ų | 119.4 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 130.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | R312 D316 | R312-G314 PolarHBondContact O-N 3.02Å; G314-D316 PolarHBondContact O-N 2.73Å |
| 315 | L | 82.1 | Confident | 70.2 | Confident | 121 Ų | 121 | 120.4 Ų | 120.4 | 63% | 0.634 | 69% | 0.685 | S | S | * | * | | | trans | -74.3 | 96.6 | 176.1 | -174.6 | 58 | 0 | 0 | 0 | 108.5 | P313 F317 M320 | P313-L315 PolarHBondContact O-N 2.88Å; L315-F317 HydrophobicContact CD2-CE1 4.3Å; L315-F317 HydrophobicContact CD2-CZ 4.36Å; L315-F317 WeakPolarHBondContact O-CD2 3.37Å; L315-F317 WeakPolarHBondContact O-CE2 2.97Å; L315-F317 PolarHBondContact O-N 3.24Å; L315-M320 HydrophobicContact CD1-CE 3.89Å; L315-M320 HydrophobicContact CD2-CE 3.62Å; L315-M320 HydrophobicContact CG-CE 3.63Å |
| 316 | D | 81.7 | Confident | 69.7 | Low | 65 Ų | 65 | 121.1 Ų | 121.1 | 35% | 0.348 | 69% | 0.692 | S | S | . | * | | | trans | -70.6 | 96.4 | -179.7 | -176.7 | -15.9 | 0 | 0 | 0 | 110.5 | G314 S318 K319 M320 | G314-D316 PolarHBondContact O-N 2.73Å; D316-S318 PolarHBondContact O-N 3.24Å; D316-S318 WeakPolarHBondContact OD1-CA 3.02Å; D316-S318 VanDerWaalsContact OD1-CB 3.31Å; D316-S318 WeakPolarHBondContact OD1-CB 2.87Å; D316-S318 PolarHBondContact OD1-N 2.83Å; D316-K319 HydrophobicContact CB-CB 4.32Å; D316-K319 HydrophobicContact CB-CD 4.37Å; D316-K319 HydrophobicContact CB-CG 4.36Å; D316-K319 PolarHBondContact O-N 3.32Å; D316-K319 VanDerWaalsContact O-N 3.16Å; D316-K319 PolarHBondContact OD1-N 3.01Å; D316-K319 VanDerWaalsContact OD1-N 3.14Å; D316-K319 WeakPolarHBondContact OD2-CG 3.49Å; D316-K319 IonicContact OD2-NZ 2.59Å; D316-K319 PolarHBondContact OD2-NZ 2.91Å; D316-M320 PolarHBondContact O-N 2.84Å; D316-M320 VanDerWaalsContact O-N 3.16Å |
| 317 | F | 81.4 | Confident | 69.1 | Low | 141 Ų | 141 | 121.6 Ų | 121.6 | 62% | 0.618 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -61.5 | -28.4 | 178.4 | -64.7 | -79.9 | 0 | 0 | 0 | 112.8 | L315 K319 M320 T321 | L315-F317 HydrophobicContact CD2-CE1 4.3Å; L315-F317 HydrophobicContact CD2-CZ 4.36Å; L315-F317 WeakPolarHBondContact O-CD2 3.37Å; L315-F317 WeakPolarHBondContact O-CE2 2.97Å; L315-F317 PolarHBondContact O-N 3.24Å; F317-K319 VanDerWaalsContact C-N 3.32Å; F317-K319 PolarHBondContact O-N 3.19Å; F317-M320 HydrophobicContact CD1-CE 3.57Å; F317-M320 HydrophobicContact CD1-SD 4.39Å; F317-M320 HydrophobicContact CE1-CE 3.8Å; F317-M320 HydrophobicContact CG-CE 4.49Å; F317-M320 WeakPolarHBondContact O-CB 3.28Å; F317-M320 PolarHBondContact O-N 2.96Å; F317-M320 VanDerWaalsContact O-N 3.12Å; F317-T321 PolarHBondContact O-N 2.94Å; F317-T321 PolarHBondContact O-OG1 3.34Å |
| 318 | S | 76.3 | Confident | 68.4 | Low | 90 Ų | 90 | 122.8 Ų | 122.8 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -70 | -28.4 | 176.9 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | D316 T321 | D316-S318 PolarHBondContact O-N 3.24Å; D316-S318 WeakPolarHBondContact OD1-CA 3.02Å; D316-S318 VanDerWaalsContact OD1-CB 3.31Å; D316-S318 WeakPolarHBondContact OD1-CB 2.87Å; D316-S318 PolarHBondContact OD1-N 2.83Å; S318-T321 PolarHBondContact O-OG1 2.85Å |
| 319 | K | 74.3 | Confident | 67.3 | Low | 143 Ų | 143 | 124 Ų | 124 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -76.1 | -32.8 | 167.1 | -72.6 | -176.1 | -177.1 | 81.1 | 0 | 112.4 | D316 F317 T321 Q322 | D316-K319 HydrophobicContact CB-CB 4.32Å; D316-K319 HydrophobicContact CB-CD 4.37Å; D316-K319 HydrophobicContact CB-CG 4.36Å; D316-K319 PolarHBondContact O-N 3.32Å; D316-K319 VanDerWaalsContact O-N 3.16Å; D316-K319 PolarHBondContact OD1-N 3.01Å; D316-K319 VanDerWaalsContact OD1-N 3.14Å; D316-K319 WeakPolarHBondContact OD2-CG 3.49Å; D316-K319 IonicContact OD2-NZ 2.59Å; D316-K319 PolarHBondContact OD2-NZ 2.91Å; F317-K319 VanDerWaalsContact C-N 3.32Å; F317-K319 PolarHBondContact O-N 3.19Å; K319-T321 VanDerWaalsContact C-N 3.33Å; K319-Q322 PolarHBondContact O-N 2.69Å |
| 320 | M | 74 | Confident | 66.2 | Low | 96 Ų | 96 | 125.1 Ų | 125.1 | 47% | 0.473 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -66.9 | -34.7 | 177.4 | -161.1 | -169.6 | -51.4 | 0 | 0 | 112.2 | L315 D316 F317 | L315-M320 HydrophobicContact CD1-CE 3.89Å; L315-M320 HydrophobicContact CD2-CE 3.62Å; L315-M320 HydrophobicContact CG-CE 3.63Å; D316-M320 PolarHBondContact O-N 2.84Å; D316-M320 VanDerWaalsContact O-N 3.16Å; F317-M320 HydrophobicContact CD1-CE 3.57Å; F317-M320 HydrophobicContact CD1-SD 4.39Å; F317-M320 HydrophobicContact CE1-CE 3.8Å; F317-M320 HydrophobicContact CG-CE 4.49Å; F317-M320 WeakPolarHBondContact O-CB 3.28Å; F317-M320 PolarHBondContact O-N 2.96Å; F317-M320 VanDerWaalsContact O-N 3.12Å |
| 321 | T | 70.4 | Confident | 64.9 | Low | 112 Ų | 112 | 123.2 Ų | 123.2 | 69% | 0.687 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -0.2 | 176.1 | 55.3 | 0 | 0 | 0 | 0 | 114.1 | F317 S318 K319 M323 | F317-T321 PolarHBondContact O-N 2.94Å; F317-T321 PolarHBondContact O-OG1 3.34Å; S318-T321 PolarHBondContact O-OG1 2.85Å; K319-T321 VanDerWaalsContact C-N 3.33Å; T321-M323 PolarHBondContact O-N 3.21Å |
| 322 | Q | 68.6 | Low | 63.3 | Low | 151 Ų | 151 | 120.9 Ų | 120.9 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | | | trans | -76.1 | 41.3 | 176.7 | -155.5 | -176.6 | 2.4 | 0 | 0 | 112.9 | K319 | K319-Q322 PolarHBondContact O-N 2.69Š|
| 323 | M | 61.5 | Low | 61.5 | Low | 175 Ų | 175 | 117.2 Ų | 117.2 | 86% | 0.862 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -113.2 | 53 | 179.2 | -59.6 | -171.7 | 71.5 | 0 | 0 | 110.3 | T321 | T321-M323 PolarHBondContact O-N 3.21Š|
| 324 | G | 62.2 | Low | 59.4 | Low | 75 Ų | 75 | 114.6 Ų | 114.6 | 77% | 0.773 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -169.4 | -13 | -172.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 325 | N | 57.3 | Low | 57.3 | Low | 104 Ų | 104 | 115 Ų | 115 | 56% | 0.556 | 71% | 0.711 | S | S | * | * | | | trans | -127.9 | 93.8 | 172.4 | -170.5 | 13.9 | 0 | 0 | 0 | 111.8 | E327 | N325-E327 PolarHBondContact ND2-OE1 2.75Å; N325-E327 WeakPolarHBondContact OD1-CB 3.05Å; N325-E327 PolarHBondContact OD1-N 2.88Å |
| 326 | C | 50.8 | Low | 54.9 | Low | 125 Ų | 125 | 112.8 Ų | 112.8 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | | | trans | -111.8 | 56.7 | 169.3 | -63 | 0 | 0 | 0 | 0 | 108.9 | S328 | C326-S328 PolarHBondContact O-N 3.48Š|
| 327 | E | 48.3 | Very low | 52.8 | Low | 156 Ų | 156 | 117.9 Ų | 117.9 | 73% | 0.729 | 74% | 0.742 | S | S | * | * | | | trans | -57 | 122.2 | 175.8 | 56.8 | -169.2 | 115.5 | 0 | 0 | 110.9 | N325 L329 | N325-E327 PolarHBondContact ND2-OE1 2.75Å; N325-E327 WeakPolarHBondContact OD1-CB 3.05Å; N325-E327 PolarHBondContact OD1-N 2.88Å; E327-L329 PolarHBondContact O-N 3.43Å; E327-L329 VanDerWaalsContact O-N 3.12Å |
| 328 | S | 48.4 | Very low | 50.7 | Low | 103 Ų | 103 | 120.5 Ų | 120.5 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | -81.3 | 97.4 | -165 | -171.9 | 0 | 0 | 0 | 0 | 111 | C326 V330 | C326-S328 PolarHBondContact O-N 3.48Å; S328-V330 PolarHBondContact O-N 2.9Å |
| 329 | L | 45.4 | Very low | 49.6 | Very low | 177 Ų | 177 | 121.4 Ų | 121.4 | 93% | 0.927 | 76% | 0.757 | S | S | * | * | | | trans | -71.9 | 75.5 | 174.4 | -172.2 | 64.9 | 0 | 0 | 0 | 111.2 | E327 G331 | E327-L329 PolarHBondContact O-N 3.43Å; E327-L329 VanDerWaalsContact O-N 3.12Å; L329-G331 PolarHBondContact O-N 2.99Å |
| 330 | V | 45.6 | Very low | 47.6 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | -86.2 | 102.4 | 169 | 172.6 | 0 | 0 | 0 | 0 | 109.5 | S328 | S328-V330 PolarHBondContact O-N 2.9Š|
| 331 | G | 36.5 | Very low | 45.8 | Very low | 73 Ų | 73 | 121.7 Ų | 121.7 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | trans | -156 | 129.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | L329 | L329-G331 PolarHBondContact O-N 2.99Š|
| 332 | G | 36 | Very low | 44.2 | Very low | 68 Ų | 68 | 120.8 Ų | 120.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | cis | 147.7 | 113.4 | -4.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 333 | T | 35.8 | Very low | 42.7 | Very low | 154 Ų | 154 | 122.1 Ų | 122.1 | 95% | 0.945 | 79% | 0.785 | S | S | * | * | | | trans | 175 | 134.4 | 166.7 | -77.9 | 0 | 0 | 0 | 0 | 106.3 | | |
| 334 | G | 33.7 | Very low | 41.4 | Very low | 77 Ų | 77 | 118.5 Ų | 118.5 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | 170.1 | -22.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 335 | G | 32.9 | Very low | 40.3 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | | | trans | 73.8 | 122.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 336 | G | 31.8 | Very low | 39.5 | Very low | 74 Ų | 74 | 124.8 Ų | 124.8 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | | | trans | 83 | 143.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 337 | I | 38.2 | Very low | 38.6 | Very low | 171 Ų | 171 | 122.7 Ų | 122.7 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | | | cis | -141 | 145.3 | -7.8 | -55.1 | -179.6 | 0 | 0 | 0 | 108 | | |
| 338 | F | 36.6 | Very low | 38 | Very low | 197 Ų | 197 | 122.4 Ų | 122.4 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -80 | -178.9 | 175.7 | -73.2 | -81.3 | 0 | 0 | 0 | 112.6 | | |
| 339 | P | 54.6 | Low | 37.6 | Very low | 108 Ų | 108 | 122.2 Ų | 122.2 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | | | | -131.5 | -180 | -51.4 | 37.9 | -23.7 | 0 | 0 | 0 | 111.9 | | |
| 340 | V | 31.4 | Very low | 37.1 | Very low | 146 Ų | 146 | 122.3 Ų | 122.3 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | | | trans | -148.6 | 144.2 | 136.4 | 113 | 0 | 0 | 0 | 0 | 111.2 | | |
| 341 | S | 36.3 | Very low | 36.5 | Very low | 99 Ų | 99 | 121 Ų | 121 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | trans | -77.3 | 173.7 | -175.4 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 342 | S | 36.4 | Very low | 36.6 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | cis | -161.8 | 156 | 33.6 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 343 | Q | 37.6 | Very low | 37.1 | Very low | 178 Ų | 178 | 124.5 Ų | 124.5 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | | | trans | 50.5 | 140.8 | 141.2 | -66.3 | 161 | -22 | 0 | 0 | 119 | | |
| 344 | S | 33.8 | Very low | 37.7 | Very low | 100 Ų | 100 | 125.4 Ų | 125.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | cis | -131.6 | 154.7 | 16.9 | 58.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 345 | E | 38.4 | Very low | 38 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | | | | 49 | 124.2 | 71.6 | -91.8 | -164.7 | 96.9 | 0 | 0 | 112.5 | | |
| 346 | Q | 40.7 | Very low | 38.8 | Very low | 166 Ų | 166 | 136.9 Ų | 136.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | cis | -139.9 | 153.6 | 7.5 | -60.9 | -178.5 | -20.6 | 0 | 0 | 111.3 | | |
| 347 | G | 31.7 | Very low | 39.1 | Very low | 81 Ų | 81 | 136.4 Ų | 136.4 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | | | trans | -97.5 | 122.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 348 | L | 36.4 | Very low | 39.3 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -119.2 | 114.8 | 160.5 | -95.5 | 168.1 | 0 | 0 | 0 | 108.4 | F350 | L348-F350 HydrophobicContact CB-CE2 4.2Š|
| 349 | A | 39 | Very low | 39.3 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -80.5 | 131.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 350 | F | 35.8 | Very low | 38.7 | Very low | 179 Ų | 179 | 137 Ų | 137 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -126.1 | 126.4 | 167.2 | -74.5 | -78 | 0 | 0 | 0 | 109.5 | L348 | L348-F350 HydrophobicContact CB-CE2 4.2Š|
| 351 | S | 33.3 | Very low | 39.6 | Very low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -82.7 | 131.2 | -175.3 | -170.6 | 0 | 0 | 0 | 0 | 110.7 | A353 | S351-A353 PolarHBondContact O-N 2.93Š|
| 352 | P | 38.3 | Very low | 40.1 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -75.5 | 67.4 | 177.7 | -17.2 | 33 | 0 | 0 | 0 | 113.8 | | |
| 353 | A | 46.8 | Very low | 40.7 | Very low | 74 Ų | 74 | 137.4 Ų | 137.4 | 61% | 0.612 | 79% | 0.793 | S | S | * | * | | | trans | -126.9 | 160.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | S351 | S351-A353 PolarHBondContact O-N 2.93Š|
| 354 | E | 47.6 | Very low | 40.5 | Very low | 173 Ų | 173 | 137 Ų | 137 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | | | trans | 63.1 | 78.9 | -179.5 | -57.6 | 177.3 | -157.7 | 0 | 0 | 115.8 | | |
| 355 | F | 40.7 | Very low | 41.2 | Very low | 212 Ų | 212 | 137.5 Ų | 137.5 | 93% | 0.93 | 80% | 0.799 | S | S | * | * | | | trans | -155.7 | 50.3 | 133.8 | -126.9 | -78.5 | 0 | 0 | 0 | 113.4 | | |
| 356 | L | 49.8 | Very low | 41.4 | Very low | 185 Ų | 185 | 139.1 Ų | 139.1 | 97% | 0.969 | 81% | 0.806 | S | S | * | * | | | trans | -120.1 | 89.2 | 172.8 | -160.6 | 80.3 | 0 | 0 | 0 | 110.7 | | |
| 357 | G | 38.1 | Very low | 41 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 80% | 0.803 | S | S | * | * | | | trans | 137.8 | 100 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 358 | R | 42.5 | Very low | 41.7 | Very low | 252 Ų | 252 | 141.5 Ų | 141.5 | 95% | 0.951 | 81% | 0.807 | S | S | * | * | | | trans | 169.6 | 91.6 | 133.3 | -93.1 | 166.7 | -168.3 | -86.6 | 0.4 | 110.4 | | |
| 359 | S | 37.1 | Very low | 41.7 | Very low | 118 Ų | 118 | 142.6 Ų | 142.6 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | | | trans | -136.1 | 61.7 | 162.8 | 62 | 0 | 0 | 0 | 0 | 108.7 | I361 | S359-I361 PolarHBondContact O-N 3.47Š|
| 360 | S | 40.4 | Very low | 42 | Very low | 118 Ų | 118 | 147 Ų | 147 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | -80.4 | 103 | 175.2 | -171.7 | 0 | 0 | 0 | 0 | 108.6 | G362 | S360-G362 PolarHBondContact O-N 3.42Š|
| 361 | I | 50.8 | Low | 42.4 | Very low | 167 Ų | 167 | 147.4 Ų | 147.4 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | | | trans | -71.1 | 105.5 | 166.7 | 40.6 | 171 | 0 | 0 | 0 | 108.8 | S359 | S359-I361 PolarHBondContact O-N 3.47Š|
| 362 | G | 46.3 | Very low | 43.1 | Very low | 52 Ų | 52 | 151.5 Ų | 151.5 | 54% | 0.536 | 82% | 0.824 | S | S | . | * | P | Polyproline II helix | trans | -77.3 | 151.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | S360 | S360-G362 PolarHBondContact O-N 3.42Š|
| 363 | P | 49.1 | Very low | 43.4 | Very low | 130 Ų | 130 | 153 Ų | 153 | 84% | 0.844 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 141.8 | 167.4 | 29.4 | -33.7 | 0 | 0 | 0 | 109.5 | | |
| 364 | L | 33.8 | Very low | 43.5 | Very low | 169 Ų | 169 | 158.2 Ų | 158.2 | 89% | 0.885 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 123 | 166.8 | -64 | 170 | 0 | 0 | 0 | 106.6 | | |
| 365 | S | 49 | Very low | 43.6 | Very low | 110 Ų | 110 | 159.4 Ų | 159.4 | 77% | 0.769 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 144.1 | 177 | -60.4 | 0 | 0 | 0 | 0 | 111.3 | | |
| 366 | E | 41.5 | Very low | 44 | Very low | 179 Ų | 179 | 155.9 Ų | 155.9 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 151.2 | 156 | 53.1 | -101 | 83.1 | 0 | 0 | 111.7 | | |
| 367 | S | 33.8 | Very low | 43.3 | Very low | 102 Ų | 102 | 152.7 Ų | 152.7 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | | | trans | -128.5 | 107.6 | 168.8 | 55.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 368 | E | 44.7 | Very low | 43.7 | Very low | 196 Ų | 196 | 156.5 Ų | 156.5 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | | | trans | -97.5 | 140.7 | 157.7 | 65.4 | -171.6 | 156.5 | 0 | 0 | 108.1 | | |
| 369 | E | 38.1 | Very low | 43.8 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | | | trans | -144 | 116.8 | -178.8 | 59 | -167.8 | 122.7 | 0 | 0 | 109.1 | | |
| 370 | E | 44 | Very low | 43.8 | Very low | 189 Ų | 189 | 155.5 Ų | 155.5 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -171.1 | 164.4 | 142 | -113.1 | 172.5 | -163.1 | 0 | 0 | 112.5 | | |
| 371 | E | 44.8 | Very low | 43.8 | Very low | 189 Ų | 189 | 156.9 Ų | 156.9 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | | | trans | 67.3 | 122.7 | 175.8 | -56.9 | -161.9 | 142.4 | 0 | 0 | 119.3 | | |
| 372 | E | 47.7 | Very low | 43.6 | Very low | 191 Ų | 191 | 156.5 Ų | 156.5 | 89% | 0.893 | 81% | 0.812 | S | S | * | * | | | trans | -82 | 144.7 | 170.6 | -55.3 | 169.4 | 117 | 0 | 0 | 109.7 | | |
| 373 | D | 44.3 | Very low | 43.2 | Very low | 170 Ų | 170 | 158 Ų | 158 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | -157.2 | 151.5 | 141.6 | -123.3 | -25.2 | 0 | 0 | 0 | 111.4 | | |
| 374 | E | 50.3 | Low | 42.6 | Very low | 183 Ų | 183 | 158.3 Ų | 158.3 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | | | trans | -86.1 | 133.7 | -176.6 | -57.6 | -172.9 | 151.1 | 0 | 0 | 111.8 | | |
| 375 | E | 48.1 | Very low | 43.3 | Very low | 199 Ų | 199 | 153.8 Ų | 153.8 | 93% | 0.93 | 81% | 0.813 | S | S | * | * | | | | -172.1 | 173.1 | 122 | -111.5 | -169.1 | -163.1 | 0 | 0 | 115.7 | | |
| 376 | E | 48.9 | Very low | 43.2 | Very low | 138 Ų | 138 | 157.5 Ų | 157.5 | 65% | 0.645 | 82% | 0.816 | S | S | * | * | | | trans | -71.8 | 123.5 | -172.6 | 178.2 | -175.7 | 152.3 | 0 | 0 | 114.5 | K378 | E376-K378 HydrophobicContact CG-CD 4.32Å; E376-K378 HydrophobicContact CG-CG 4.47Å; E376-K378 WeakPolarHBondContact OE1-CD 3.45Å; E376-K378 VanDerWaalsContact OE1-CE 3.26Å; E376-K378 WeakPolarHBondContact OE1-CE 3.26Å; E376-K378 IonicContact OE1-NZ 2.67Å; E376-K378 PolarHBondContact OE1-NZ 2.73Å; E376-K378 IonicContact OE2-NZ 2.86Å; E376-K378 PolarHBondContact OE2-NZ 3.12Å |
| 377 | C | 35.8 | Very low | 43.6 | Very low | 118 Ų | 118 | 156.7 Ų | 156.7 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | -143.2 | 104.5 | 145.5 | -147.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 378 | K | 47.2 | Very low | 44.5 | Very low | 144 Ų | 144 | 157.2 Ų | 157.2 | 63% | 0.626 | 82% | 0.816 | S | S | * | * | | | trans | -80.2 | 117.4 | 172.2 | -60.4 | 146 | -171.1 | 154.2 | 0 | 110 | E376 | E376-K378 HydrophobicContact CG-CD 4.32Å; E376-K378 HydrophobicContact CG-CG 4.47Å; E376-K378 WeakPolarHBondContact OE1-CD 3.45Å; E376-K378 VanDerWaalsContact OE1-CE 3.26Å; E376-K378 WeakPolarHBondContact OE1-CE 3.26Å; E376-K378 IonicContact OE1-NZ 2.67Å; E376-K378 PolarHBondContact OE1-NZ 2.73Å; E376-K378 IonicContact OE2-NZ 2.86Å; E376-K378 PolarHBondContact OE2-NZ 3.12Å |
| 379 | R | 42.9 | Very low | 44.8 | Very low | 223 Ų | 223 | 154.7 Ų | 154.7 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | | | trans | -170.5 | 129.5 | 146.2 | -107.4 | 156 | -146.9 | 131.7 | 4.7 | 116.5 | | |
| 380 | T | 37.4 | Very low | 45.4 | Very low | 126 Ų | 126 | 155 Ų | 155 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | 50.7 | 84.1 | 145.2 | 55.6 | 0 | 0 | 0 | 0 | 119.4 | | |
| 381 | V | 42 | Very low | 46.2 | Very low | 147 Ų | 147 | 153.6 Ų | 153.6 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | | | | -65.4 | 116.9 | 129.8 | 172.4 | 0 | 0 | 0 | 0 | 108.1 | | |
| 382 | L | 45.7 | Very low | 47.1 | Very low | 158 Ų | 158 | 155 Ų | 155 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -178.8 | 167.3 | 152.2 | -106.9 | 169.7 | 0 | 0 | 0 | 111.9 | | |
| 383 | A | 37.9 | Very low | 48.1 | Very low | 83 Ų | 83 | 151.7 Ų | 151.7 | 69% | 0.686 | 79% | 0.785 | S | S | * | * | | | trans | 64.8 | 88 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 384 | V | 35.9 | Very low | 49.2 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | | | | 75 | 126.7 | 81.8 | 171.3 | 0 | 0 | 0 | 0 | 112.7 | K386 | V384-K386 PolarHBondContact O-N 3.25Š|
| 385 | G | 48.8 | Very low | 50.2 | Low | 74 Ų | 74 | 144.5 Ų | 144.5 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | | | trans | -57.5 | 130.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 386 | K | 46.5 | Very low | 51.3 | Low | 189 Ų | 189 | 142.2 Ų | 142.2 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | | | trans | -120.5 | 137.5 | 155.7 | -67.2 | 175.7 | -177.4 | 172.9 | 0 | 106.5 | V384 V388 | V384-K386 PolarHBondContact O-N 3.25Å; K386-V388 PolarHBondContact O-N 3.22Å |
| 387 | N | 50.1 | Low | 52.4 | Low | 161 Ų | 161 | 140.5 Ų | 140.5 | 86% | 0.861 | 75% | 0.752 | S | S | * | * | | | trans | -67.8 | 107.8 | -179.8 | -57 | -44.5 | 0 | 0 | 0 | 108.2 | I389 | N387-I389 PolarHBondContact O-N 3.11Š|
| 388 | V | 52.8 | Low | 54.3 | Low | 114 Ų | 114 | 139.6 Ų | 139.6 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | | | trans | -71.2 | 90.2 | 169.5 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | K386 F390 | K386-V388 PolarHBondContact O-N 3.22Å; V388-F390 HydrophobicContact CG1-CD2 4.22Å; V388-F390 HydrophobicContact CG1-CE2 4.13Å; V388-F390 PolarHBondContact O-N 2.86Å; V388-F390 VanDerWaalsContact O-N 3.15Å |
| 389 | I | 52.3 | Low | 55.7 | Low | 142 Ų | 142 | 138.9 Ų | 138.9 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | | | trans | -63.1 | 111.4 | 161.9 | -63.2 | 172.6 | 0 | 0 | 0 | 104.8 | N387 E391 | N387-I389 PolarHBondContact O-N 3.11Å; I389-E391 PolarHBondContact O-N 3.03Å |
| 390 | F | 50.3 | Low | 57 | Low | 181 Ų | 181 | 131.9 Ų | 131.9 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | | | trans | -70.8 | 78.7 | 167 | -82.4 | -90.1 | 0 | 0 | 0 | 108.1 | V388 R392 | V388-F390 HydrophobicContact CG1-CD2 4.22Å; V388-F390 HydrophobicContact CG1-CE2 4.13Å; V388-F390 PolarHBondContact O-N 2.86Å; V388-F390 VanDerWaalsContact O-N 3.15Å; F390-R392 VanDerWaalsContact C-N 3.33Å; F390-R392 PolarHBondContact O-N 3.05Å |
| 391 | E | 60.6 | Low | 58.4 | Low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | | | trans | -62.3 | 98.8 | 162.8 | -170.9 | 151.9 | -143.9 | 0 | 0 | 106.3 | I389 D393 | I389-E391 PolarHBondContact O-N 3.03Å; E391-D393 PolarHBondContact O-N 3.01Å; E391-D393 VanDerWaalsContact O-N 3.09Å |
| 392 | R | 62.7 | Low | 59.7 | Low | 217 Ų | 217 | 129.4 Ų | 129.4 | 82% | 0.819 | 70% | 0.702 | S | S | * | * | | | trans | -76.3 | 96 | 173.7 | -68.7 | -169 | 74.3 | 104.7 | 1.7 | 106.8 | F390 C394 | F390-R392 VanDerWaalsContact C-N 3.33Å; F390-R392 PolarHBondContact O-N 3.05Å; R392-C394 PolarHBondContact O-N 3.35Å; R392-C394 PolarHBondContact O-SG 2.96Å |
| 393 | D | 68.6 | Low | 60.8 | Low | 122 Ų | 122 | 130.4 Ų | 130.4 | 65% | 0.652 | 70% | 0.702 | S | S | * | * | | | trans | -57.9 | 104.8 | 169 | -79.7 | -44.1 | 0 | 0 | 0 | 109.2 | E391 T395 | E391-D393 PolarHBondContact O-N 3.01Å; E391-D393 VanDerWaalsContact O-N 3.09Å; D393-T395 PolarHBondContact O-N 3.13Å; D393-T395 VanDerWaalsContact O-N 3.07Å |
| 394 | C | 67.4 | Low | 62.2 | Low | 90 Ų | 90 | 134.2 Ų | 134.2 | 61% | 0.608 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -76.2 | 17.4 | 179.7 | -74.2 | 0 | 0 | 0 | 0 | 112.8 | R392 D396 L397 | R392-C394 PolarHBondContact O-N 3.35Å; R392-C394 PolarHBondContact O-SG 2.96Å; C394-D396 VanDerWaalsContact C-N 3.32Å; C394-L397 HydrophobicContact CB-CD1 3.92Å; C394-L397 PolarHBondContact O-N 2.65Å |
| 395 | T | 71.4 | Confident | 62.7 | Low | 113 Ų | 113 | 137.2 Ų | 137.2 | 69% | 0.693 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -69.8 | -29.8 | 179.6 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | D393 L397 | D393-T395 PolarHBondContact O-N 3.13Å; D393-T395 VanDerWaalsContact O-N 3.07Å; T395-L397 VanDerWaalsContact C-N 3.32Å |
| 396 | D | 71.4 | Confident | 63.4 | Low | 150 Ų | 150 | 140.4 Ų | 140.4 | 80% | 0.802 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -92.1 | 13.7 | -179.1 | -73 | 18.7 | 0 | 0 | 0 | 112.7 | C394 D398 | C394-D396 VanDerWaalsContact C-N 3.32Å; D396-D398 PolarHBondContact O-N 3.29Å; D396-D398 VanDerWaalsContact O-N 3.08Å |
| 397 | L | 73 | Confident | 64.3 | Low | 102 Ų | 102 | 137.8 Ų | 137.8 | 53% | 0.534 | 71% | 0.71 | S | S | . | * | | | trans | -77.2 | 90.4 | 168.5 | -78.7 | 174.6 | 0 | 0 | 0 | 110 | C394 T395 L399 | C394-L397 HydrophobicContact CB-CD1 3.92Å; C394-L397 PolarHBondContact O-N 2.65Å; T395-L397 VanDerWaalsContact C-N 3.32Å; L397-L399 PolarHBondContact O-N 3.2Å |
| 398 | D | 75.9 | Confident | 65.1 | Low | 100 Ų | 100 | 136.6 Ų | 136.6 | 54% | 0.535 | 70% | 0.701 | S | S | . | * | | | trans | -60.1 | 105.8 | 168.7 | -173 | -12.5 | 0 | 0 | 0 | 110.2 | D396 S400 L401 | D396-D398 PolarHBondContact O-N 3.29Å; D396-D398 VanDerWaalsContact O-N 3.08Å; D398-S400 VanDerWaalsContact CG-OG 3.25Å; D398-S400 PolarHBondContact O-N 3.08Å; D398-S400 VanDerWaalsContact OD1-CB 3.31Å; D398-S400 WeakPolarHBondContact OD1-CB 3.26Å; D398-S400 PolarHBondContact OD1-N 3.22Å; D398-S400 PolarHBondContact OD1-OG 3.45Å; D398-S400 PolarHBondContact OD2-OG 2.83Å; D398-L401 PolarHBondContact O-N 3.07Å |
| 399 | L | 76.6 | Confident | 65.9 | Low | 128 Ų | 128 | 137.9 Ų | 137.9 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -68.8 | -20.5 | -178.7 | -58.9 | -179.3 | 0 | 0 | 0 | 112.6 | L397 L401 I402 E403 | L397-L399 PolarHBondContact O-N 3.2Å; L399-L401 VanDerWaalsContact C-N 3.34Å; L399-I402 HydrophobicContact CD2-CD1 3.95Å; L399-I402 WeakPolarHBondContact O-CB 3.45Å; L399-I402 PolarHBondContact O-N 3.22Å; L399-E403 PolarHBondContact O-N 3.05Å |
| 400 | S | 69.4 | Low | 66.7 | Low | 77 Ų | 77 | 137.6 Ų | 137.6 | 54% | 0.538 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -68 | -36.2 | 178.6 | 71.1 | 0 | 0 | 0 | 0 | 111.8 | D398 I402 E403 | D398-S400 VanDerWaalsContact CG-OG 3.25Å; D398-S400 PolarHBondContact O-N 3.08Å; D398-S400 VanDerWaalsContact OD1-CB 3.31Å; D398-S400 WeakPolarHBondContact OD1-CB 3.26Å; D398-S400 PolarHBondContact OD1-N 3.22Å; D398-S400 PolarHBondContact OD1-OG 3.45Å; D398-S400 PolarHBondContact OD2-OG 2.83Å; S400-I402 PolarHBondContact O-N 3.13Å; S400-E403 PolarHBondContact O-N 3.08Å |
| 401 | L | 67 | Low | 67.8 | Low | 118 Ų | 118 | 134.7 Ų | 134.7 | 62% | 0.618 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -67.2 | -18 | 175.2 | -166.5 | 65.5 | 0 | 0 | 0 | 112.9 | D398 L399 | D398-L401 PolarHBondContact O-N 3.07Å; L399-L401 VanDerWaalsContact C-N 3.34Å |
| 402 | I | 69.5 | Low | 68.3 | Low | 103 Ų | 103 | 133 Ų | 133 | 53% | 0.528 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -86.4 | -21.5 | 178 | -52.2 | -179.8 | 0 | 0 | 0 | 111.5 | L399 S400 | L399-I402 HydrophobicContact CD2-CD1 3.95Å; L399-I402 WeakPolarHBondContact O-CB 3.45Å; L399-I402 PolarHBondContact O-N 3.22Å; S400-I402 PolarHBondContact O-N 3.13Å |
| 403 | E | 69.4 | Low | 68.7 | Low | 178 Ų | 178 | 126.5 Ų | 126.5 | 83% | 0.832 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -87 | -10.4 | 179.8 | -165.1 | 163.4 | -159.7 | 0 | 0 | 113.3 | L399 S400 | L399-E403 PolarHBondContact O-N 3.05Å; S400-E403 PolarHBondContact O-N 3.08Å |
| 404 | E | 67.1 | Low | 68.8 | Low | 163 Ų | 163 | 126.9 Ų | 126.9 | 76% | 0.762 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 3.9 | -179.6 | -153.5 | 174.3 | -174.5 | 0 | 0 | 114.6 | | |
| 405 | N | 46.9 | Very low | 68.9 | Low | 201 Ų | 201 | 130.3 Ų | 130.3 | 100% | 1.075 | 69% | 0.69 | S | S | * | * | | | trans | -132 | 0 | -178.9 | -78.8 | -101 | 0 | 0 | 0 | 114.7 | | |