| 1 | M | 41.7 | Very low | 39.4 | Very low | 245 Ų | 245 | 139.7 Ų | 139.7 | 100% | 1.207 | 82% | 0.821 | S | S | * | * | | | | 0 | 110.3 | 0 | -63.9 | 168 | -178.2 | 0 | 0 | 106.5 | | |
| 2 | Q | 38.3 | Very low | 39.4 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 91% | 0.911 | 82% | 0.82 | S | S | * | * | | | trans | -76.5 | 131.5 | -172.1 | -79.2 | -154.7 | 2 | 0 | 0 | 111.7 | K4 | Q2-K4 PolarHBondContact O-N 2.76Š|
| 3 | L | 37.9 | Very low | 39.5 | Very low | 173 Ų | 173 | 140.3 Ų | 140.3 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | | | trans | -67.2 | 109.9 | 171.1 | -76.4 | 146 | 0 | 0 | 0 | 108.9 | S5 | L3-S5 PolarHBondContact O-N 3.48Š|
| 4 | K | 35.9 | Very low | 39.7 | Very low | 198 Ų | 198 | 139.5 Ų | 139.5 | 86% | 0.861 | 81% | 0.809 | S | S | * | * | | | trans | -86.1 | 107.3 | 178.2 | -148.8 | 142.7 | 176.1 | 173.6 | 0 | 107.5 | Q2 S6 | Q2-K4 PolarHBondContact O-N 2.76Å; K4-S6 PolarHBondContact O-N 3.22Å; K4-S6 VanDerWaalsContact O-N 3.14Å |
| 5 | S | 40.2 | Very low | 39.6 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -51.2 | 114.5 | 174.8 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | L3 S7 | L3-S5 PolarHBondContact O-N 3.48Å; S5-S7 VanDerWaalsContact C-N 3.26Å; S5-S7 PolarHBondContact O-N 3.11Å |
| 6 | S | 40.5 | Very low | 39.5 | Very low | 124 Ų | 124 | 136.1 Ų | 136.1 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | | | trans | -73 | 85.4 | 167.2 | -64.1 | 0 | 0 | 0 | 0 | 108.4 | K4 S8 | K4-S6 PolarHBondContact O-N 3.22Å; K4-S6 VanDerWaalsContact O-N 3.14Å; S6-S8 PolarHBondContact O-N 2.88Å |
| 7 | S | 38.2 | Very low | 39.4 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | -63.9 | 113.4 | 168.1 | -73.8 | 0 | 0 | 0 | 0 | 108.9 | S5 A9 | S5-S7 VanDerWaalsContact C-N 3.26Å; S5-S7 PolarHBondContact O-N 3.11Å; S7-A9 PolarHBondContact O-N 2.9Å; S7-A9 VanDerWaalsContact O-N 3.07Å |
| 8 | S | 38 | Very low | 39.4 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | | | trans | -27.6 | 109.6 | 158.1 | 152.2 | 0 | 0 | 0 | 0 | 110.8 | S6 S10 | S6-S8 PolarHBondContact O-N 2.88Å; S8-S10 PolarHBondContact O-N 3.29Å |
| 9 | A | 41.3 | Very low | 39.2 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | | | trans | -70.9 | 79.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | S7 | S7-A9 PolarHBondContact O-N 2.9Å; S7-A9 VanDerWaalsContact O-N 3.07Å |
| 10 | S | 38.6 | Very low | 39.5 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 51% | 0.51 | 78% | 0.777 | S | S | . | * | | | trans | -58.6 | 132.3 | 164.1 | -68.6 | 0 | 0 | 0 | 0 | 107.6 | S8 H12 | S8-S10 PolarHBondContact O-N 3.29Å; S10-H12 PolarHBondContact O-CD2 2.87Å; S10-H12 PolarHBondContact O-N 3.34Å |
| 11 | P | 43.2 | Very low | 39.5 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | | | trans | -61.1 | 111.2 | 173.4 | 25.4 | -31 | 0 | 0 | 0 | 106.4 | T13 | P11-T13 PolarHBondContact O-N 3.44Š|
| 12 | H | 38.8 | Very low | 39.4 | Very low | 174 Ų | 174 | 136.2 Ų | 136.2 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | | | trans | -64.9 | 80.9 | 164.8 | -72.9 | -110.2 | 0 | 0 | 0 | 106.2 | S10 T14 | S10-H12 PolarHBondContact O-CD2 2.87Å; S10-H12 PolarHBondContact O-N 3.34Å; H12-T14 PolarHBondContact O-N 2.9Å; H12-T14 PolarHBondContact O-OG1 2.84Å |
| 13 | T | 41.6 | Very low | 39.4 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | | | trans | -58.2 | 94.6 | 151 | 28.7 | 0 | 0 | 0 | 0 | 104.3 | P11 I15 | P11-T13 PolarHBondContact O-N 3.44Å; T13-I15 PolarHBondContact O-N 3.14Å |
| 14 | T | 41.9 | Very low | 39.3 | Very low | 129 Ų | 129 | 127.8 Ų | 127.8 | 79% | 0.791 | 74% | 0.736 | S | S | * | * | | | trans | -64.2 | 78.4 | 163.5 | -35.3 | 0 | 0 | 0 | 0 | 105.3 | H12 S16 | H12-T14 PolarHBondContact O-N 2.9Å; H12-T14 PolarHBondContact O-OG1 2.84Å; T14-S16 PolarHBondContact O-N 2.91Å |
| 15 | I | 38.6 | Very low | 39.2 | Very low | 130 Ų | 130 | 123.1 Ų | 123.1 | 67% | 0.667 | 73% | 0.727 | S | S | * | * | | | trans | -62.9 | 91.5 | 156.1 | -64.6 | 172.6 | 0 | 0 | 0 | 101.7 | T13 M17 | T13-I15 PolarHBondContact O-N 3.14Å; I15-M17 HydrophobicContact CG2-CG 4.18Å; I15-M17 PolarHBondContact O-N 2.87Å |
| 16 | S | 36.8 | Very low | 39.1 | Very low | 94 Ų | 94 | 122.7 Ų | 122.7 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | | | trans | -55.5 | 95.4 | 159.9 | -176.6 | 0 | 0 | 0 | 0 | 103.1 | T14 C18 | T14-S16 PolarHBondContact O-N 2.91Å; S16-C18 PolarHBondContact O-N 3.47Å |
| 17 | M | 37.7 | Very low | 39 | Very low | 140 Ų | 140 | 122.8 Ų | 122.8 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | | | trans | -62 | 89.7 | 166.1 | -71.1 | -168.9 | -88.1 | 0 | 0 | 102.6 | I15 W19 | I15-M17 HydrophobicContact CG2-CG 4.18Å; I15-M17 PolarHBondContact O-N 2.87Å; M17-W19 PolarHBondContact O-N 3.25Å |
| 18 | C | 39.8 | Very low | 39 | Very low | 97 Ų | 97 | 125.4 Ų | 125.4 | 66% | 0.655 | 71% | 0.71 | S | S | * | * | | | trans | -53.5 | 95 | 151.2 | -74.3 | 0 | 0 | 0 | 0 | 102.5 | S16 T20 | S16-C18 PolarHBondContact O-N 3.47Å; C18-T20 PolarHBondContact O-N 3.44Å; C18-T20 PolarHBondContact O-OG1 2.69Å |
| 19 | W | 36.1 | Very low | 38.9 | Very low | 232 Ų | 232 | 129.9 Ų | 129.9 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | | | trans | -59.1 | 84 | 161.8 | -84 | 63.6 | 0 | 0 | 0 | 103.6 | M17 R21 | M17-W19 PolarHBondContact O-N 3.25Å; W19-R21 PolarHBondContact O-N 3.27Å |
| 20 | T | 44.9 | Very low | 38.8 | Very low | 109 Ų | 109 | 130.8 Ų | 130.8 | 67% | 0.669 | 71% | 0.712 | S | S | * | * | | | trans | -76 | 81.3 | 178.5 | -47.9 | 0 | 0 | 0 | 0 | 100.6 | C18 T22 | C18-T20 PolarHBondContact O-N 3.44Å; C18-T20 PolarHBondContact O-OG1 2.69Å; T20-T22 VanDerWaalsContact C-N 3.28Å; T20-T22 PolarHBondContact O-N 2.79Å |
| 21 | R | 39.5 | Very low | 38.9 | Very low | 235 Ų | 235 | 131 Ų | 131 | 89% | 0.887 | 73% | 0.726 | S | S | * | * | | | trans | -45.1 | 110.8 | 161.2 | -175.1 | 177.9 | 170.7 | -168.3 | -2.9 | 103 | W19 A23 | W19-R21 PolarHBondContact O-N 3.27Å; R21-A23 PolarHBondContact O-N 2.89Å |
| 22 | T | 39.8 | Very low | 38.5 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 71% | 0.712 | 72% | 0.724 | S | S | * | * | | | trans | -63.9 | 73.6 | -168.7 | -37.5 | 0 | 0 | 0 | 0 | 108.1 | T20 T24 | T20-T22 VanDerWaalsContact C-N 3.28Å; T20-T22 PolarHBondContact O-N 2.79Å; T22-T24 PolarHBondContact O-N 2.97Å |
| 23 | A | 37.8 | Very low | 38.6 | Very low | 79 Ų | 79 | 134.9 Ų | 134.9 | 65% | 0.653 | 73% | 0.725 | S | S | * | * | | | trans | -68.9 | 86.5 | 149.4 | 0 | 0 | 0 | 0 | 0 | 101.9 | R21 C25 | R21-A23 PolarHBondContact O-N 2.89Å; A23-C25 PolarHBondContact O-N 2.98Å |
| 24 | T | 35.8 | Very low | 38.5 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 69% | 0.687 | 72% | 0.72 | S | S | * | * | | | trans | -51.8 | 92.5 | 167.4 | -44.6 | 0 | 0 | 0 | 0 | 104.7 | T22 P26 | T22-T24 PolarHBondContact O-N 2.97Å; T24-P26 WeakPolarHBondContact O-CD 3.31Å |
| 25 | C | 33.9 | Very low | 38.7 | Very low | 99 Ų | 99 | 134 Ų | 134 | 67% | 0.669 | 72% | 0.722 | S | S | * | * | | | trans | -57.4 | 117 | 166.1 | -67.9 | 0 | 0 | 0 | 0 | 102.7 | A23 V27 | A23-C25 PolarHBondContact O-N 2.98Å; C25-V27 PolarHBondContact O-N 2.98Å |
| 26 | P | 39.3 | Very low | 38.8 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 64% | 0.643 | 73% | 0.729 | S | S | * | * | | | trans | -62 | 100.4 | 175.3 | 24.6 | -29.8 | 0 | 0 | 0 | 105 | T24 W28 | T24-P26 WeakPolarHBondContact O-CD 3.31Å; P26-W28 PolarHBondContact O-N 3.02Å |
| 27 | V | 36.8 | Very low | 39 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | | | trans | -63.1 | 97.4 | 166.3 | 162.1 | 0 | 0 | 0 | 0 | 103.2 | C25 R29 | C25-V27 PolarHBondContact O-N 2.98Å; V27-R29 PolarHBondContact O-N 3.47Å |
| 28 | W | 38.6 | Very low | 38.8 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 62% | 0.617 | 74% | 0.744 | S | S | * | * | | | trans | -66.7 | 90.5 | 163.5 | -79.3 | 78.2 | 0 | 0 | 0 | 105.3 | P26 S30 Q32 P34 | P26-W28 PolarHBondContact O-N 3.02Å; W28-S30 PolarHBondContact O-N 3.26Å; W28-S30 VanDerWaalsContact O-N 3.08Å; W28-Q32 WeakPolarHBondContact CZ3-O 3.34Å; W28-P34 HydrophobicContact CH2-CB 3.73Å; W28-P34 HydrophobicContact CH2-CG 3.48Å; W28-P34 VanDerWaalsContact CH2-CG 3.48Å; W28-P34 HydrophobicContact CZ3-CB 4.2Å; W28-P34 VanDerWaalsContact CZ3-CD 3.49Å; W28-P34 HydrophobicContact CZ3-CG 3.72Å |
| 29 | R | 36.7 | Very low | 38.7 | Very low | 192 Ų | 192 | 139.5 Ų | 139.5 | 73% | 0.725 | 76% | 0.755 | S | S | * | * | | | trans | -53.4 | 117.8 | 170.3 | -163 | 174.5 | 179.3 | -94.1 | 1.8 | 105.6 | V27 G31 Q32 | V27-R29 PolarHBondContact O-N 3.47Å; R29-G31 PolarHBondContact O-N 3.33Å; R29-Q32 PolarHBondContact O-N 3.3Å; R29-Q32 VanDerWaalsContact O-N 3.15Å |
| 30 | S | 38.8 | Very low | 38.7 | Very low | 120 Ų | 120 | 137 Ų | 137 | 84% | 0.839 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.6 | 101.7 | 177.9 | 50.9 | 0 | 0 | 0 | 0 | 109.4 | W28 | W28-S30 PolarHBondContact O-N 3.26Å; W28-S30 VanDerWaalsContact O-N 3.08Å |
| 31 | G | 40.1 | Very low | 38.5 | Very low | 79 Ų | 79 | 143.8 Ų | 143.8 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.2 | -16 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | R29 R33 | R29-G31 PolarHBondContact O-N 3.33Å; G31-R33 PolarHBondContact O-N 3.24Å |
| 32 | Q | 35.8 | Very low | 38.3 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | | | trans | -89.4 | 104 | 170.4 | -76.8 | -167.5 | 38.1 | 0 | 0 | 110 | W28 R29 | W28-Q32 WeakPolarHBondContact CZ3-O 3.34Å; R29-Q32 PolarHBondContact O-N 3.3Å; R29-Q32 VanDerWaalsContact O-N 3.15Å |
| 33 | R | 40.7 | Very low | 38.2 | Very low | 220 Ų | 220 | 139.7 Ų | 139.7 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | | | trans | -75 | 134.2 | 167.5 | -147.3 | 177.1 | -167.7 | -151.8 | 3.5 | 107.2 | G31 T35 | G31-R33 PolarHBondContact O-N 3.24Å; R33-T35 PolarHBondContact O-N 3.17Å |
| 34 | P | 40.2 | Very low | 37.9 | Very low | 91 Ų | 91 | 139.5 Ų | 139.5 | 59% | 0.591 | 78% | 0.775 | S | S | * | * | | | trans | -64.9 | 106 | 169 | 11 | -4.5 | 0 | 0 | 0 | 108.4 | W28 S36 | W28-P34 HydrophobicContact CH2-CB 3.73Å; W28-P34 HydrophobicContact CH2-CG 3.48Å; W28-P34 VanDerWaalsContact CH2-CG 3.48Å; W28-P34 HydrophobicContact CZ3-CB 4.2Å; W28-P34 VanDerWaalsContact CZ3-CD 3.49Å; W28-P34 HydrophobicContact CZ3-CG 3.72Å; P34-S36 PolarHBondContact O-N 3.47Å |
| 35 | T | 45.3 | Very low | 38.2 | Very low | 134 Ų | 134 | 142.4 Ų | 142.4 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -76.7 | 96.5 | 163.1 | 35.1 | 0 | 0 | 0 | 0 | 108.2 | R33 | R33-T35 PolarHBondContact O-N 3.17Š|
| 36 | S | 40.2 | Very low | 38.2 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | | | trans | 128 | 122.4 | 165.2 | 71.8 | 0 | 0 | 0 | 0 | 109.8 | P34 | P34-S36 PolarHBondContact O-N 3.47Š|
| 37 | G | 40.4 | Very low | 38.4 | Very low | 74 Ų | 74 | 144.6 Ų | 144.6 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | S | Bend | cis | -159.1 | 178.7 | -2.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 38 | R | 34.8 | Very low | 38.2 | Very low | 241 Ų | 241 | 141.8 Ų | 141.8 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | 77 | 84.2 | -172.9 | -71.7 | -175.9 | 165.2 | 169.3 | -3.8 | 115.7 | M40 | R38-M40 PolarHBondContact O-N 2.86Š|
| 39 | T | 36.8 | Very low | 38.6 | Very low | 144 Ų | 144 | 146 Ų | 146 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | -53.1 | 97.3 | 145.2 | 39.8 | 0 | 0 | 0 | 0 | 110.2 | R41 | T39-R41 PolarHBondContact O-N 3.1Š|
| 40 | M | 36.5 | Very low | 38.1 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 89% | 0.892 | 80% | 0.802 | S | S | * | * | | | trans | -77.2 | 106 | 151 | -77.8 | -98.4 | -76.7 | 0 | 0 | 106.2 | R38 G42 | R38-M40 PolarHBondContact O-N 2.86Å; M40-G42 PolarHBondContact O-N 2.99Å |
| 41 | R | 41.3 | Very low | 38.3 | Very low | 250 Ų | 250 | 140.1 Ų | 140.1 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | | | trans | -49.3 | 133.3 | 163.6 | -97.4 | -176.5 | 160.5 | -172.4 | -3.9 | 108.9 | T39 | T39-R41 PolarHBondContact O-N 3.1Š|
| 42 | G | 35 | Very low | 38 | Very low | 64 Ų | 64 | 142.6 Ų | 142.6 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | | | trans | 160 | 76.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | M40 | M40-G42 PolarHBondContact O-N 2.99Š|
| 43 | E | 37.2 | Very low | 38.1 | Very low | 201 Ų | 201 | 140.1 Ų | 140.1 | 94% | 0.939 | 80% | 0.801 | S | S | * | * | | | trans | 66.6 | 117.6 | 143.9 | -55.7 | -177.7 | 113.3 | 0 | 0 | 120.3 | | |
| 44 | G | 32.7 | Very low | 37.7 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 80% | 0.796 | S | S | * | * | | | trans | 87.5 | 75.1 | 140 | 0 | 0 | 0 | 0 | 0 | 117.3 | T46 | G44-T46 PolarHBondContact O-N 3.2Š|
| 45 | L | 41.3 | Very low | 37.7 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | | | trans | -68.5 | 112.5 | 155.9 | -69.1 | 165.8 | 0 | 0 | 0 | 109.3 | | |
| 46 | T | 34.7 | Very low | 37.5 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 80% | 0.798 | 81% | 0.807 | S | S | * | * | | | trans | -108.6 | 113.1 | 147.3 | 29.3 | 0 | 0 | 0 | 0 | 108.3 | G44 G48 | G44-T46 PolarHBondContact O-N 3.2Å; T46-G48 PolarHBondContact O-N 3.19Å |
| 47 | P | 43.3 | Very low | 37.5 | Very low | 113 Ų | 113 | 141.2 Ų | 141.2 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | | | trans | -77.1 | 76 | 168.4 | 31.2 | -28.8 | 0 | 0 | 0 | 108.2 | | |
| 48 | G | 32 | Very low | 37.6 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | -90.4 | 105.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | T46 G50 | T46-G48 PolarHBondContact O-N 3.19Å; G48-G50 PolarHBondContact O-N 2.89Å |
| 49 | W | 46.8 | Very low | 38.3 | Very low | 253 Ų | 253 | 133.8 Ų | 133.8 | 96% | 0.958 | 77% | 0.77 | S | S | * | * | | | trans | -74 | 111.9 | 169.2 | -55.3 | 15 | 0 | 0 | 0 | 105.5 | | |
| 50 | G | 26.9 | Very low | 38.9 | Very low | 57 Ų | 57 | 129.3 Ų | 129.3 | 59% | 0.588 | 74% | 0.742 | S | S | * | * | | | trans | -162.8 | 136 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G48 L52 | G48-G50 PolarHBondContact O-N 2.89Å; G50-L52 VanDerWaalsContact C-N 3.35Å; G50-L52 PolarHBondContact O-N 3.22Å |
| 51 | P | 43 | Very low | 39.8 | Very low | 131 Ų | 131 | 120.9 Ų | 120.9 | 85% | 0.851 | 70% | 0.701 | S | S | * | * | | | trans | -85.8 | 73.7 | -174.6 | 36.1 | -32.9 | 0 | 0 | 0 | 109.7 | | |
| 52 | L | 32.1 | Very low | 40.4 | Very low | 131 Ų | 131 | 111.1 Ų | 111.1 | 69% | 0.686 | 67% | 0.674 | S | S | * | * | | | trans | -139.8 | 109.5 | 167.5 | -82.5 | 101 | 0 | 0 | 0 | 109.6 | G50 H54 | G50-L52 VanDerWaalsContact C-N 3.35Å; G50-L52 PolarHBondContact O-N 3.22Å; L52-H54 PolarHBondContact O-N 2.89Å; L52-H54 PolarHBondContact O-ND1 3.23Å |
| 53 | A | 37.9 | Very low | 41.5 | Very low | 95 Ų | 95 | 111 Ų | 111 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | | | trans | -44.8 | 110.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108 | P55 | A53-P55 WeakPolarHBondContact O-CD 3.12Š|
| 54 | H | 32.9 | Very low | 42.4 | Very low | 155 Ų | 155 | 104.1 Ų | 104.1 | 72% | 0.718 | 63% | 0.631 | S | S | * | * | | | trans | -80.9 | 106.4 | 166 | -73.7 | 73.1 | 0 | 0 | 0 | 105.9 | L52 R56 | L52-H54 PolarHBondContact O-N 2.89Å; L52-H54 PolarHBondContact O-ND1 3.23Å; H54-R56 PolarHBondContact O-N 3.5Å |
| 55 | P | 40.6 | Very low | 43.5 | Very low | 122 Ų | 122 | 108.3 Ų | 108.3 | 79% | 0.792 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 21.2 | -167.7 | 32.5 | -34 | 0 | 0 | 0 | 113.2 | A53 | A53-P55 WeakPolarHBondContact O-CD 3.12Š|
| 56 | R | 40.7 | Very low | 44 | Very low | 226 Ų | 226 | 103.3 Ų | 103.3 | 85% | 0.853 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.4 | 48.3 | -171.2 | -65.9 | -166.5 | -175.4 | 150.1 | 2.4 | 113.6 | H54 P58 | H54-R56 PolarHBondContact O-N 3.5Å; R56-P58 WeakPolarHBondContact O-CD 3.21Å |
| 57 | T | 40.7 | Very low | 44.5 | Very low | 81 Ų | 81 | 100 Ų | 100 | 50% | 0.497 | 60% | 0.601 | S | S | . | * | | | trans | -81.5 | 107.7 | 158.1 | -39.1 | 0 | 0 | 0 | 0 | 107.3 | G59 V60 | T57-G59 PolarHBondContact O-N 3.37Å; T57-V60 HydrophobicContact CG2-CG1 4.17Å; T57-V60 WeakPolarHBondContact O-CG2 3.22Å; T57-V60 PolarHBondContact O-N 3.33Å |
| 58 | P | 43.1 | Very low | 44.4 | Very low | 113 Ų | 113 | 97.1 Ų | 97.1 | 73% | 0.734 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | 130.3 | 174.8 | 23.5 | -31.2 | 0 | 0 | 0 | 109.1 | R56 | R56-P58 WeakPolarHBondContact O-CD 3.21Š|
| 59 | G | 47.8 | Very low | 44.9 | Very low | 47 Ų | 47 | 97.9 Ų | 97.9 | 49% | 0.485 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 97.1 | 3.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | T57 G68 | T57-G59 PolarHBondContact O-N 3.37Å; G59-G68 PolarHBondContact O-N 3.06Å |
| 60 | V | 50.1 | Low | 44.7 | Very low | 49 Ų | 49 | 89.9 Ų | 89.9 | 30% | 0.297 | 60% | 0.597 | S | S | . | * | B | Isolated β-bridge | trans | -106.4 | 138.3 | 172.8 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | T57 A62 | T57-V60 HydrophobicContact CG2-CG1 4.17Å; T57-V60 WeakPolarHBondContact O-CG2 3.22Å; T57-V60 PolarHBondContact O-N 3.33Å; V60-A62 PolarHBondContact O-N 3.33Å |
| 61 | C | 55 | Low | 45.3 | Very low | 4 Ų | 4 | 90.2 Ų | 90.2 | 3% | 0.027 | 60% | 0.6 | C | S | . | * | | | trans | -69.5 | 127.7 | 175.2 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | I63 C64 Q65 S66 H83 C85 | C61-I63 PolarHBondContact O-N 2.84Å; C61-I63 VanDerWaalsContact O-N 3.1Å; C61-C64 WeakPolarHBondContact CB-SG 3.49Å; C61-Q65 WeakPolarHBondContact O-CA 3.28Å; C61-Q65 PolarHBondContact O-N 3.17Å; C61-S66 PolarHBondContact N-O 2.72Å; C61-H83 CarbonylContact C-O 3.49Å; C61-H83 VanDerWaalsContact CA-O 3.22Å; C61-H83 WeakPolarHBondContact CA-O 3.42Å; C61-C85 HydrophobicContact CB-CB 4.05Å; C61-C85 PolarHBondContact SG-N 2.6Å; C61-C85 VanDerWaalsContact SG-N 3.44Å; C61-C85 VanDerWaalsContact SG-SG 3.64Å |
| 62 | A | 55.1 | Low | 45.1 | Very low | 46 Ų | 46 | 88.6 Ų | 88.6 | 38% | 0.38 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.6 | -13.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V60 H83 L84 | V60-A62 PolarHBondContact O-N 3.33Å; A62-H83 PolarHBondContact N-O 2.93Å; A62-L84 HydrophobicContact CB-CD2 4.49Å |
| 63 | I | 58.1 | Low | 45.8 | Very low | 60 Ų | 60 | 88 Ų | 88 | 31% | 0.308 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.1 | -53 | -177.8 | -62.2 | 179.2 | 0 | 0 | 0 | 111.5 | C61 L84 C88 L101 | C61-I63 PolarHBondContact O-N 2.84Å; C61-I63 VanDerWaalsContact O-N 3.1Å; I63-L84 HydrophobicContact CD1-CD2 3.56Å; I63-L84 HydrophobicContact CG1-CD2 3.67Å; I63-C88 HydrophobicContact CD1-CB 4.26Å; I63-L101 HydrophobicContact CG2-CD1 4.45Å |
| 64 | C | 55 | Low | 46 | Very low | 57 Ų | 57 | 85.4 Ų | 85.4 | 39% | 0.385 | 58% | 0.584 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.3 | -0.4 | -176.3 | 63 | 0 | 0 | 0 | 0 | 113.5 | C61 S66 | C61-C64 WeakPolarHBondContact CB-SG 3.49Å; C64-S66 PolarHBondContact O-N 2.79Å; C64-S66 PolarHBondContact O-OG 2.75Å; C64-S66 PolarHBondContact SG-OG 3.17Å |
| 65 | Q | 57.1 | Low | 46.3 | Very low | 165 Ų | 165 | 86.5 Ų | 86.5 | 77% | 0.771 | 59% | 0.589 | S | S | * | * | | | trans | 50.7 | 16.4 | -176.9 | -62.2 | -175.3 | 64.8 | 0 | 0 | 114.1 | C61 G67 | C61-Q65 WeakPolarHBondContact O-CA 3.28Å; C61-Q65 PolarHBondContact O-N 3.17Å; Q65-G67 PolarHBondContact O-N 3.45Å |
| 66 | S | 52 | Low | 46.3 | Very low | 67 Ų | 67 | 85.6 Ų | 85.6 | 47% | 0.469 | 58% | 0.583 | S | S | . | * | | | trans | -76.2 | 119.9 | -179.8 | -46.5 | 0 | 0 | 0 | 0 | 108.5 | C61 C64 G68 | C61-S66 PolarHBondContact N-O 2.72Å; C64-S66 PolarHBondContact O-N 2.79Å; C64-S66 PolarHBondContact O-OG 2.75Å; C64-S66 PolarHBondContact SG-OG 3.17Å; S66-G68 PolarHBondContact O-N 2.8Å |
| 67 | G | 43.8 | Very low | 46.2 | Very low | 60 Ų | 60 | 79.9 Ų | 79.9 | 62% | 0.619 | 58% | 0.578 | S | S | * | * | B | Isolated β-bridge | trans | -69.8 | 103.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q65 G69 | Q65-G67 PolarHBondContact O-N 3.45Å; G67-G69 PolarHBondContact O-N 2.95Å |
| 68 | G | 42.9 | Very low | 46 | Very low | 54 Ų | 54 | 87.9 Ų | 87.9 | 56% | 0.557 | 60% | 0.599 | S | S | * | * | | | trans | -85.3 | 95.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | G59 S66 G70 | G59-G68 PolarHBondContact O-N 3.06Å; S66-G68 PolarHBondContact O-N 2.8Å; G68-G70 PolarHBondContact O-N 3.32Å |
| 69 | G | 41.9 | Very low | 45.8 | Very low | 82 Ų | 82 | 92.9 Ų | 92.9 | 85% | 0.845 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -60.1 | 119.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | G67 | G67-G69 PolarHBondContact O-N 2.95Š|
| 70 | G | 41.5 | Very low | 45.7 | Very low | 86 Ų | 86 | 99.5 Ų | 99.5 | 89% | 0.887 | 62% | 0.621 | S | S | * | * | S | Bend | trans | 80.3 | 62.3 | 166 | 0 | 0 | 0 | 0 | 0 | 115.9 | G68 | G68-G70 PolarHBondContact O-N 3.32Š|
| 71 | G | 39.6 | Very low | 45.6 | Very low | 64 Ų | 64 | 107.2 Ų | 107.2 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | | | trans | -146.6 | 122.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 72 | A | 39.8 | Very low | 45.3 | Very low | 97 Ų | 97 | 109 Ų | 109 | 80% | 0.802 | 67% | 0.665 | S | S | * | * | | | trans | -46.1 | 137.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | G74 | A72-G74 PolarHBondContact O-N 3.05Š|
| 73 | P | 45.9 | Very low | 45.2 | Very low | 119 Ų | 119 | 111.4 Ų | 111.4 | 77% | 0.773 | 67% | 0.668 | S | S | * | * | | | trans | -60.2 | 105.3 | -178.5 | 23.2 | -31.6 | 0 | 0 | 0 | 109.8 | | |
| 74 | G | 42.8 | Very low | 45 | Very low | 39 Ų | 39 | 112 Ų | 112 | 40% | 0.402 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 135.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A72 | A72-G74 PolarHBondContact O-N 3.05Š|
| 75 | H | 39.7 | Very low | 45 | Very low | 178 Ų | 178 | 111.5 Ų | 111.5 | 82% | 0.824 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 133.7 | -173.3 | -153.5 | -90.2 | 0 | 0 | 0 | 112.7 | S77 | H75-S77 PolarHBondContact O-N 3.3Å; H75-S77 VanDerWaalsContact O-N 3.11Å |
| 76 | P | 40.5 | Very low | 44.9 | Very low | 103 Ų | 103 | 107.1 Ų | 107.1 | 67% | 0.669 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 116 | 180 | 26.4 | -32.8 | 0 | 0 | 0 | 109.4 | R78 | P76-R78 PolarHBondContact O-N 2.97Š|
| 77 | S | 38.3 | Very low | 45 | Very low | 107 Ų | 107 | 106.1 Ų | 106.1 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 124.3 | 170.4 | -166.4 | 0 | 0 | 0 | 0 | 108.4 | H75 R79 | H75-S77 PolarHBondContact O-N 3.3Å; H75-S77 VanDerWaalsContact O-N 3.11Å; S77-R79 PolarHBondContact O-N 2.86Å |
| 78 | R | 37.3 | Very low | 45.6 | Very low | 249 Ų | 249 | 104.4 Ų | 104.4 | 94% | 0.94 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -66.7 | 43.6 | -169.6 | -165.7 | -173.9 | 173.1 | -113.7 | 2.1 | 114.6 | P76 | P76-R78 PolarHBondContact O-N 2.97Š|
| 79 | R | 38.8 | Very low | 46.3 | Very low | 218 Ų | 218 | 106.8 Ų | 106.8 | 82% | 0.823 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -161 | 85.1 | 170.9 | -137.4 | 172.3 | -174.4 | -108.9 | 1.4 | 108.7 | S77 R81 | S77-R79 PolarHBondContact O-N 2.86Å; R79-R81 PolarHBondContact O-N 3.44Å |
| 80 | E | 45 | Very low | 46.7 | Very low | 185 Ų | 185 | 109.9 Ų | 109.9 | 86% | 0.864 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 28.3 | 80.5 | 158.7 | -61.6 | -178.8 | 129.2 | 0 | 0 | 115.5 | | |
| 81 | R | 46.7 | Very low | 47.3 | Very low | 211 Ų | 211 | 113.7 Ų | 113.7 | 80% | 0.796 | 62% | 0.62 | S | S | * | * | | | trans | -163.8 | 125.8 | 164 | -105 | 153.2 | -132.7 | -103 | 5.1 | 106.9 | R79 | R79-R81 PolarHBondContact O-N 3.44Š|
| 82 | G | 49.3 | Very low | 47.5 | Very low | 43 Ų | 43 | 118.6 Ų | 118.6 | 44% | 0.443 | 62% | 0.623 | S | S | . | * | | | trans | -56.3 | 172.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | L84 | G82-L84 PolarHBondContact O-N 2.68Š|
| 83 | H | 52.3 | Low | 47.5 | Very low | 95 Ų | 95 | 117.8 Ų | 117.8 | 44% | 0.44 | 62% | 0.624 | S | S | . | * | | | trans | -50.4 | 132.6 | 179.8 | -68.7 | -81.8 | 0 | 0 | 0 | 111 | C61 A62 | C61-H83 CarbonylContact C-O 3.49Å; C61-H83 VanDerWaalsContact CA-O 3.22Å; C61-H83 WeakPolarHBondContact CA-O 3.42Å; A62-H83 PolarHBondContact N-O 2.93Å |
| 84 | L | 53.8 | Low | 47.2 | Very low | 72 Ų | 72 | 114.8 Ų | 114.8 | 38% | 0.377 | 61% | 0.609 | S | S | . | * | | | trans | -107.1 | 135.8 | 174.1 | -62.6 | 179.4 | 0 | 0 | 0 | 108.5 | A62 I63 G82 | A62-L84 HydrophobicContact CB-CD2 4.49Å; I63-L84 HydrophobicContact CD1-CD2 3.56Å; I63-L84 HydrophobicContact CG1-CD2 3.67Å; G82-L84 PolarHBondContact O-N 2.68Å |
| 85 | C | 56 | Low | 47.1 | Very low | 47 Ų | 47 | 123.2 Ų | 123.2 | 32% | 0.318 | 63% | 0.629 | S | S | . | * | | | trans | -73.9 | 157.9 | 172.6 | 66.2 | 0 | 0 | 0 | 0 | 110.9 | C61 G87 C88 Q89 | C61-C85 HydrophobicContact CB-CB 4.05Å; C61-C85 PolarHBondContact SG-N 2.6Å; C61-C85 VanDerWaalsContact SG-N 3.44Å; C61-C85 VanDerWaalsContact SG-SG 3.64Å; C85-G87 PolarHBondContact O-N 2.83Å; C85-G87 VanDerWaalsContact O-N 3.14Å; C85-C88 CarbonylContact O-C 3.58Å; C85-C88 WeakPolarHBondContact O-CA 3.25Å; C85-C88 PolarHBondContact O-N 2.86Å; C85-Q89 PolarHBondContact O-N 2.63Å |
| 86 | A | 54.3 | Low | 47.2 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 61% | 0.612 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -52.2 | -38.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | C88 Q89 D90 | A86-C88 PolarHBondContact O-N 2.73Å; A86-Q89 PolarHBondContact O-N 2.81Å; A86-D90 VanDerWaalsContact O-CB 3.28Å; A86-D90 WeakPolarHBondContact O-CB 3.1Å; A86-D90 PolarHBondContact O-N 2.73Å |
| 87 | G | 55.4 | Low | 47.2 | Very low | 46 Ų | 46 | 116.6 Ų | 116.6 | 47% | 0.474 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.9 | -31.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | C85 R91 | C85-G87 PolarHBondContact O-N 2.83Å; C85-G87 VanDerWaalsContact O-N 3.14Å; G87-R91 VanDerWaalsContact O-CG 3.31Å; G87-R91 WeakPolarHBondContact O-CG 3.45Å; G87-R91 PolarHBondContact O-N 2.9Å |
| 88 | C | 55.8 | Low | 47.1 | Very low | 24 Ų | 24 | 118.2 Ų | 118.2 | 16% | 0.162 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -83.6 | -27.8 | 173.6 | -71.6 | 0 | 0 | 0 | 0 | 112.2 | I63 C85 A86 | I63-C88 HydrophobicContact CD1-CB 4.26Å; C85-C88 CarbonylContact O-C 3.58Å; C85-C88 WeakPolarHBondContact O-CA 3.25Å; C85-C88 PolarHBondContact O-N 2.86Å; A86-C88 PolarHBondContact O-N 2.73Å |
| 89 | Q | 57.8 | Low | 47.3 | Very low | 104 Ų | 104 | 114.7 Ų | 114.7 | 49% | 0.486 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -71 | -40.9 | 175.7 | -169.5 | 175.5 | 37.3 | 0 | 0 | 111.5 | C85 A86 R91 K92 | C85-Q89 PolarHBondContact O-N 2.63Å; A86-Q89 PolarHBondContact O-N 2.81Å; Q89-R91 VanDerWaalsContact C-N 3.34Å; Q89-K92 WeakPolarHBondContact O-CB 3.47Å; Q89-K92 VanDerWaalsContact O-CG 3.31Å; Q89-K92 WeakPolarHBondContact O-CG 3.43Å; Q89-K92 PolarHBondContact O-N 2.71Å |
| 90 | D | 50.5 | Low | 47.3 | Very low | 146 Ų | 146 | 112 Ų | 112 | 78% | 0.781 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -69.2 | -33 | 177.7 | -163.4 | -105.6 | 0 | 0 | 0 | 111.7 | A86 K92 | A86-D90 VanDerWaalsContact O-CB 3.28Å; A86-D90 WeakPolarHBondContact O-CB 3.1Å; A86-D90 PolarHBondContact O-N 2.73Å; D90-K92 PolarHBondContact O-N 3.34Å |
| 91 | R | 53.1 | Low | 47 | Very low | 166 Ų | 166 | 108 Ų | 108 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -72.2 | 17.6 | 170.6 | -72.3 | -168.2 | -150.5 | -158.1 | 7.9 | 114.8 | G87 Q89 G93 A94 | G87-R91 VanDerWaalsContact O-CG 3.31Å; G87-R91 WeakPolarHBondContact O-CG 3.45Å; G87-R91 PolarHBondContact O-N 2.9Å; Q89-R91 VanDerWaalsContact C-N 3.34Å; R91-G93 PolarHBondContact O-N 2.83Å; R91-A94 PolarHBondContact O-N 3.07Å; R91-A94 VanDerWaalsContact O-O 3.12Å |
| 92 | K | 44.1 | Very low | 46.7 | Very low | 168 Ų | 168 | 104.2 Ų | 104.2 | 73% | 0.73 | 55% | 0.552 | S | S | * | * | G | 310 helix | trans | -56.6 | -13.5 | 171.6 | -96.2 | -173.5 | 173.7 | -156.2 | 0 | 114.3 | Q89 D90 | Q89-K92 WeakPolarHBondContact O-CB 3.47Å; Q89-K92 VanDerWaalsContact O-CG 3.31Å; Q89-K92 WeakPolarHBondContact O-CG 3.43Å; Q89-K92 PolarHBondContact O-N 2.71Å; D90-K92 PolarHBondContact O-N 3.34Å |
| 93 | G | 40.7 | Very low | 46.2 | Very low | 79 Ų | 79 | 105.3 Ų | 105.3 | 81% | 0.814 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -85.9 | -21.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | R91 | R91-G93 PolarHBondContact O-N 2.83Š|
| 94 | A | 39.2 | Very low | 45.4 | Very low | 56 Ų | 56 | 106.6 Ų | 106.6 | 46% | 0.463 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -100 | 100 | 176.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | R91 C96 | R91-A94 PolarHBondContact O-N 3.07Å; R91-A94 VanDerWaalsContact O-O 3.12Å; A94-C96 PolarHBondContact O-N 3.25Å |
| 95 | R | 40.9 | Very low | 45 | Very low | 216 Ų | 216 | 109.7 Ų | 109.7 | 82% | 0.815 | 59% | 0.591 | S | S | * | * | | | trans | -53.6 | 92 | 167 | -67.2 | 174 | 72.1 | -150.7 | -0.6 | 107.6 | D97 | R95-D97 IonicContact NH2-OD2 3.78Å; R95-D97 PolarHBondContact O-N 2.96Å |
| 96 | C | 41.8 | Very low | 44.4 | Very low | 73 Ų | 73 | 110.5 Ų | 110.5 | 49% | 0.493 | 61% | 0.607 | S | S | . | * | | | trans | -64.8 | 88.2 | 159 | -68.3 | 0 | 0 | 0 | 0 | 104.1 | A94 W98 | A94-C96 PolarHBondContact O-N 3.25Å; C96-W98 PolarHBondContact O-N 3.43Å |
| 97 | D | 39.8 | Very low | 43.7 | Very low | 69 Ų | 69 | 118 Ų | 118 | 37% | 0.369 | 62% | 0.619 | S | S | . | * | | | trans | -60 | 106.8 | 178.5 | -152 | -73.9 | 0 | 0 | 0 | 105.7 | R95 K99 H100 | R95-D97 IonicContact NH2-OD2 3.78Å; R95-D97 PolarHBondContact O-N 2.96Å; D97-K99 PolarHBondContact O-N 2.96Å; D97-K99 VanDerWaalsContact OD1-CB 3.25Å; D97-K99 WeakPolarHBondContact OD1-CB 3.24Å; D97-K99 WeakPolarHBondContact OD1-CD 3.31Å; D97-K99 VanDerWaalsContact OD1-CG 3.24Å; D97-K99 WeakPolarHBondContact OD1-CG 3.44Å; D97-H100 PolarHBondContact O-N 2.82Å |
| 98 | W | 37.5 | Very low | 42.6 | Very low | 142 Ų | 142 | 120.2 Ų | 120.2 | 54% | 0.538 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -50.4 | -23.3 | -177.5 | 179.3 | -86.8 | 0 | 0 | 0 | 111.9 | C96 H100 L101 H102 | C96-W98 PolarHBondContact O-N 3.43Å; W98-H100 PolarHBondContact O-N 3.38Å; W98-L101 PolarHBondContact O-N 3.2Å; W98-H102 AromaticContact CD1-CD2 3.75Å; W98-H102 AromaticContact CD1-NE2 3.99Å; W98-H102 AromaticContact CE2-CD2 3.79Å; W98-H102 AromaticContact CE2-NE2 3.36Å; W98-H102 AromaticContact CZ2-NE2 3.43Å; W98-H102 WeakPolarHBondContact CZ2-NE2 3.4Å; W98-H102 AromaticContact NE1-CD2 3.2Å; W98-H102 PolarHBondContact NE1-CD2 2.83Å; W98-H102 AromaticContact NE1-NE2 2.99Å; W98-H102 PolarHBondContact NE1-NE2 2.93Å |
| 99 | K | 40 | Very low | 42 | Very low | 175 Ų | 175 | 125.2 Ų | 125.2 | 76% | 0.761 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -59.9 | -23.7 | 174.7 | -64.4 | -177.7 | 171.9 | -174.7 | 0 | 114.1 | D97 | D97-K99 PolarHBondContact O-N 2.96Å; D97-K99 VanDerWaalsContact OD1-CB 3.25Å; D97-K99 WeakPolarHBondContact OD1-CB 3.24Å; D97-K99 WeakPolarHBondContact OD1-CD 3.31Å; D97-K99 VanDerWaalsContact OD1-CG 3.24Å; D97-K99 WeakPolarHBondContact OD1-CG 3.44Å |
| 100 | H | 39.1 | Very low | 41.2 | Very low | 161 Ų | 161 | 126 Ų | 126 | 75% | 0.745 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -86.4 | -22.2 | 178.2 | -114.2 | 83.4 | 0 | 0 | 0 | 114 | D97 W98 H102 A103 | D97-H100 PolarHBondContact O-N 2.82Å; W98-H100 PolarHBondContact O-N 3.38Å; H100-H102 VanDerWaalsContact C-N 3.29Å; H100-A103 WeakPolarHBondContact O-CB 3.18Å; H100-A103 PolarHBondContact O-N 2.7Å |
| 101 | L | 39.9 | Very low | 40.8 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 53% | 0.529 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.3 | -15.7 | 178.7 | -81.4 | 159.8 | 0 | 0 | 0 | 112.9 | I63 W98 | I63-L101 HydrophobicContact CG2-CD1 4.45Å; W98-L101 PolarHBondContact O-N 3.2Å |
| 102 | H | 40.3 | Very low | 40 | Very low | 132 Ų | 132 | 124.2 Ų | 124.2 | 61% | 0.611 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 8.8 | 171.4 | -74.7 | -92.2 | 0 | 0 | 0 | 113.1 | W98 H100 D104 | W98-H102 AromaticContact CD1-CD2 3.75Å; W98-H102 AromaticContact CD1-NE2 3.99Å; W98-H102 AromaticContact CE2-CD2 3.79Å; W98-H102 AromaticContact CE2-NE2 3.36Å; W98-H102 AromaticContact CZ2-NE2 3.43Å; W98-H102 WeakPolarHBondContact CZ2-NE2 3.4Å; W98-H102 AromaticContact NE1-CD2 3.2Å; W98-H102 PolarHBondContact NE1-CD2 2.83Å; W98-H102 AromaticContact NE1-NE2 2.99Å; W98-H102 PolarHBondContact NE1-NE2 2.93Å; H100-H102 VanDerWaalsContact C-N 3.29Å; H102-D104 PolarHBondContact O-N 3.08Å |
| 103 | A | 38.4 | Very low | 39.9 | Very low | 65 Ų | 65 | 128.2 Ų | 128.2 | 54% | 0.537 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -67.9 | 114.8 | 162.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | H100 | H100-A103 WeakPolarHBondContact O-CB 3.18Å; H100-A103 PolarHBondContact O-N 2.7Å |
| 104 | D | 36 | Very low | 39.9 | Very low | 123 Ų | 123 | 129 Ų | 129 | 66% | 0.658 | 70% | 0.697 | S | S | * | * | | | trans | -31.3 | 125.1 | -175.1 | -156.9 | -85 | 0 | 0 | 0 | 113.8 | H102 G106 R107 | H102-D104 PolarHBondContact O-N 3.08Å; D104-G106 PolarHBondContact O-N 3.15Å; D104-G106 WeakPolarHBondContact OD1-CA 3.08Å; D104-G106 PolarHBondContact OD1-N 3.14Å; D104-R107 PolarHBondContact O-N 3.17Å |
| 105 | P | 44.5 | Very low | 39.9 | Very low | 136 Ų | 136 | 131 Ų | 131 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -1.9 | 177.6 | 26.8 | -32.4 | 0 | 0 | 0 | 113.1 | | |
| 106 | G | 43.3 | Very low | 40.1 | Very low | 64 Ų | 64 | 126 Ų | 126 | 66% | 0.66 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -4.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | D104 | D104-G106 PolarHBondContact O-N 3.15Å; D104-G106 WeakPolarHBondContact OD1-CA 3.08Å; D104-G106 PolarHBondContact OD1-N 3.14Å |
| 107 | R | 39.8 | Very low | 40.1 | Very low | 231 Ų | 231 | 134.7 Ų | 134.7 | 87% | 0.872 | 73% | 0.734 | S | S | * | * | | | trans | -118 | 69.7 | 179.8 | -152 | 169.3 | -174.2 | -158.4 | 0.5 | 113.7 | D104 | D104-R107 PolarHBondContact O-N 3.17Š|
| 108 | S | 32.1 | Very low | 40 | Very low | 94 Ų | 94 | 135.3 Ų | 135.3 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | | | trans | -73.5 | 122.8 | 159.4 | -157.6 | 0 | 0 | 0 | 0 | 109.2 | V110 | S108-V110 PolarHBondContact O-N 3.06Š|
| 109 | P | 44 | Very low | 39.9 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | | | trans | -83.4 | 43.7 | 173.8 | 35 | -34.1 | 0 | 0 | 0 | 111.3 | | |
| 110 | V | 40.3 | Very low | 39.9 | Very low | 121 Ų | 121 | 128 Ų | 128 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -125.1 | 92.6 | 177.9 | -174.9 | 0 | 0 | 0 | 0 | 108.9 | S108 | S108-V110 PolarHBondContact O-N 3.06Š|
| 111 | G | 41.2 | Very low | 39.9 | Very low | 80 Ų | 80 | 125.3 Ų | 125.3 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | | | trans | 78.9 | 78.2 | 154.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 112 | E | 37.7 | Very low | 40.2 | Very low | 193 Ų | 193 | 124.9 Ų | 124.9 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -132.3 | 90.9 | 152.1 | -163.3 | 177 | 89.6 | 0 | 0 | 110 | | |
| 113 | R | 40.7 | Very low | 40.5 | Very low | 253 Ų | 253 | 126.5 Ų | 126.5 | 96% | 0.955 | 80% | 0.8 | S | S | * | * | | | trans | -171.3 | 67.6 | 141 | -101.6 | 173 | -173.3 | -157.4 | 2 | 108.6 | | |
| 114 | A | 41.9 | Very low | 40.8 | Very low | 95 Ų | 95 | 132 Ų | 132 | 79% | 0.785 | 81% | 0.814 | S | S | * | * | | | trans | -137.6 | 121.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 115 | A | 39.7 | Very low | 40.8 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | 71 | 128.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 116 | S | 44 | Very low | 40.5 | Very low | 111 Ų | 111 | 128.5 Ų | 128.5 | 78% | 0.776 | 82% | 0.821 | S | S | * | * | | | cis | -172 | 137.5 | 6 | -86.2 | 0 | 0 | 0 | 0 | 108 | | |
| 117 | R | 41.4 | Very low | 40.4 | Very low | 254 Ų | 254 | 128.8 Ų | 128.8 | 96% | 0.958 | 83% | 0.825 | S | S | * | * | | | trans | -139.8 | 110.7 | 143.1 | -86.1 | -165.3 | 175.9 | -159.3 | -1.7 | 108 | | |
| 118 | G | 38.8 | Very low | 41.3 | Very low | 83 Ų | 83 | 123.9 Ų | 123.9 | 86% | 0.856 | 82% | 0.823 | S | S | * | * | | | trans | -70.5 | 159.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 119 | G | 34.8 | Very low | 42 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | | | trans | 169.4 | 103.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 120 | G | 40.2 | Very low | 41.8 | Very low | 83 Ų | 83 | 123.1 Ų | 123.1 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | | | trans | -68.4 | 156.9 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 121 | A | 39.3 | Very low | 41.9 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | | | trans | -152.8 | 101.4 | 142.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 122 | A | 46.1 | Very low | 41.8 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | | | trans | -69 | 139.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 123 | E | 45.7 | Very low | 41.8 | Very low | 167 Ų | 167 | 129.2 Ų | 129.2 | 78% | 0.78 | 86% | 0.863 | S | S | * | * | | | trans | 166.2 | 93.1 | 149.2 | -81.6 | -114.3 | 83.6 | 0 | 0 | 105.2 | | |
| 124 | Q | 45.1 | Very low | 41.9 | Very low | 180 Ų | 180 | 123 Ų | 123 | 84% | 0.841 | 86% | 0.858 | S | S | * | * | | | | 55.1 | 117.1 | 91.4 | -66.4 | -168.9 | 72.2 | 0 | 0 | 113.5 | | |
| 125 | G | 35.3 | Very low | 41.9 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 79% | 0.794 | 86% | 0.862 | S | S | * | * | | | trans | 134.2 | 120 | 147.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 126 | A | 39.8 | Very low | 42 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 89% | 0.893 | 87% | 0.865 | S | S | * | * | | | trans | 63 | 118.7 | 151.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 127 | G | 41.5 | Very low | 41.9 | Very low | 71 Ų | 71 | 126.8 Ų | 126.8 | 73% | 0.732 | 87% | 0.87 | S | S | * | * | | | | 103.2 | 126.9 | 51.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 128 | P | 57 | Low | 41.9 | Very low | 128 Ų | 128 | 118.8 Ų | 118.8 | 83% | 0.831 | 86% | 0.864 | S | S | * | * | | | trans | -87 | 121.7 | -177.3 | 32.5 | -30.3 | 0 | 0 | 0 | 111.3 | | |
| 129 | S | 46.9 | Very low | 42.1 | Very low | 135 Ų | 135 | 121.2 Ų | 121.2 | 94% | 0.944 | 87% | 0.865 | S | S | * | * | | | trans | -173.9 | 144.6 | 159.1 | -97.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 130 | G | 40 | Very low | 42.7 | Very low | 72 Ų | 72 | 124.1 Ų | 124.1 | 74% | 0.742 | 87% | 0.867 | S | S | * | * | | | trans | 142.1 | 100.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 131 | R | 42.1 | Very low | 42.9 | Very low | 212 Ų | 212 | 127.2 Ų | 127.2 | 80% | 0.8 | 87% | 0.868 | S | S | * | * | | | cis | 57 | 109 | 39.4 | -130.2 | -150.2 | 173.8 | -150 | -0.8 | 114.7 | | |
| 132 | Q | 39 | Very low | 43.2 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 72% | 0.724 | 87% | 0.869 | S | S | * | * | | | trans | 88.8 | 110.9 | 150.1 | -46 | -169.7 | 110.6 | 0 | 0 | 118.7 | | |
| 133 | G | 39.5 | Very low | 42.9 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 100% | 1.588 | 88% | 0.879 | S | S | * | * | | | trans | -141.1 | 0 | 139.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |