| 1 | T | 40.3 | Very low | 52.2 | Low | 200 Ų | 200 | 144.4 Ų | 144.4 | 100% | 1.227 | 77% | 0.768 | S | S | * | * | | | | 0 | 123.2 | 0 | -37.1 | 0 | 0 | 0 | 0 | 107.8 | | |
| 2 | H | 45.9 | Very low | 52.4 | Low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.815 | 76% | 0.755 | S | S | * | * | | | trans | -56.2 | 143.8 | -168.5 | -124.6 | -104.5 | 0 | 0 | 0 | 114.7 | | |
| 3 | K | 47.2 | Very low | 52.2 | Low | 199 Ų | 199 | 143.7 Ų | 143.7 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | | | | -177.5 | 152.9 | 127.5 | -108.4 | -175.7 | 176.7 | -177.1 | 0 | 113.2 | | |
| 4 | P | 51.8 | Low | 52.3 | Low | 81 Ų | 81 | 141.1 Ų | 141.1 | 53% | 0.526 | 74% | 0.738 | S | S | . | * | | | | -122.4 | 146.2 | -89.2 | 34.4 | -19.7 | 0 | 0 | 0 | 112.5 | | |
| 5 | E | 54.7 | Low | 52.4 | Low | 193 Ų | 193 | 137.1 Ų | 137.1 | 90% | 0.902 | 73% | 0.726 | S | S | * | * | | | trans | -82.8 | 102.4 | 155.6 | -165.5 | 176.4 | 118.3 | 0 | 0 | 106.3 | | |
| 6 | E | 56.6 | Low | 52.4 | Low | 171 Ų | 171 | 132.4 Ų | 132.4 | 80% | 0.799 | 71% | 0.708 | S | S | * | * | | | trans | -133.2 | 93.5 | 160.7 | -75.7 | -168.6 | 113.8 | 0 | 0 | 104.5 | | |
| 7 | D | 52.6 | Low | 52.5 | Low | 123 Ų | 123 | 128.9 Ų | 128.9 | 66% | 0.658 | 69% | 0.693 | S | S | * | * | | | | 63.8 | 91.1 | 79.3 | -143.3 | -60.7 | 0 | 0 | 0 | 110.8 | | |
| 8 | T | 60.8 | Low | 52.7 | Low | 96 Ų | 96 | 128.1 Ų | 128.1 | 59% | 0.589 | 69% | 0.692 | S | S | * | * | | | trans | 67.3 | 155.7 | 133.5 | -40.2 | 0 | 0 | 0 | 0 | 118.9 | | |
| 9 | F | 53.2 | Low | 52.7 | Low | 186 Ų | 186 | 132.7 Ų | 132.7 | 82% | 0.816 | 70% | 0.699 | S | S | * | * | | | trans | 84.1 | 67.6 | 164.9 | -55.9 | -75.7 | 0 | 0 | 0 | 115.5 | | |
| 10 | G | 56.8 | Low | 52.9 | Low | 63 Ų | 63 | 137.1 Ų | 137.1 | 65% | 0.649 | 71% | 0.705 | S | S | * | * | | | | 71.6 | 115 | 104.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | P12 | G10-P12 WeakPolarHBondContact O-CD 3.38Š|
| 11 | V | 54.4 | Low | 53 | Low | 100 Ų | 100 | 136.2 Ų | 136.2 | 61% | 0.606 | 71% | 0.706 | S | S | * | * | | | trans | -104.1 | 65.3 | 155.5 | -153.4 | 0 | 0 | 0 | 0 | 110 | W13 L14 | V11-W13 PolarHBondContact O-N 3.26Å; V11-L14 HydrophobicContact CG1-CD1 3.67Å; V11-L14 HydrophobicContact CG1-CG 3.59Å; V11-L14 HydrophobicContact CG1-CB 4.03Å |
| 12 | P | 54.6 | Low | 53.8 | Low | 94 Ų | 94 | 134.7 Ų | 134.7 | 61% | 0.61 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71.2 | -10.5 | 166.8 | 32.5 | -32.9 | 0 | 0 | 0 | 111.4 | G10 S16 | G10-P12 WeakPolarHBondContact O-CD 3.38Å; P12-S16 PolarHBondContact O-N 3.35Å; P12-S16 PolarHBondContact O-OG 3.06Å |
| 13 | W | 49.9 | Very low | 54.3 | Low | 186 Ų | 186 | 131.7 Ų | 131.7 | 71% | 0.705 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -73.7 | -42.7 | -175.7 | -175.6 | 46.1 | 0 | 0 | 0 | 113.2 | V11 S15 S16 V17 | V11-W13 PolarHBondContact O-N 3.26Å; W13-S15 VanDerWaalsContact C-N 3.3Å; W13-S15 PolarHBondContact O-N 3.46Å; W13-S16 WeakPolarHBondContact O-CB 3.02Å; W13-S16 PolarHBondContact O-N 3.26Å; W13-V17 HydrophobicContact CZ2-CG2 4.45Å; W13-V17 WeakPolarHBondContact O-CG2 3.35Å; W13-V17 PolarHBondContact O-N 3.33Å |
| 14 | L | 53.4 | Low | 54.9 | Low | 108 Ų | 108 | 126.3 Ų | 126.3 | 57% | 0.565 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -63.9 | -37.7 | 178.3 | -70.2 | 175.7 | 0 | 0 | 0 | 111.5 | V11 S16 V17 V18 | V11-L14 HydrophobicContact CG1-CD1 3.67Å; V11-L14 HydrophobicContact CG1-CG 3.59Å; V11-L14 HydrophobicContact CG1-CB 4.03Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.39Å; L14-V17 PolarHBondContact O-N 3.38Å; L14-V18 WeakPolarHBondContact O-CG2 3.41Å; L14-V18 PolarHBondContact O-N 2.76Å |
| 15 | S | 53.8 | Low | 55 | Low | 80 Ų | 80 | 130.3 Ų | 130.3 | 56% | 0.559 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -64.8 | -31 | 173.8 | -55.3 | 0 | 0 | 0 | 0 | 113.1 | W13 R19 | W13-S15 VanDerWaalsContact C-N 3.3Å; W13-S15 PolarHBondContact O-N 3.46Å; S15-R19 PolarHBondContact O-N 3.47Å |
| 16 | S | 52.6 | Low | 54.9 | Low | 63 Ų | 63 | 126.2 Ų | 126.2 | 44% | 0.441 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -75.6 | -34.3 | 174.5 | -76.5 | 0 | 0 | 0 | 0 | 112.8 | P12 W13 L14 | P12-S16 PolarHBondContact O-N 3.35Å; P12-S16 PolarHBondContact O-OG 3.06Å; W13-S16 WeakPolarHBondContact O-CB 3.02Å; W13-S16 PolarHBondContact O-N 3.26Å; L14-S16 VanDerWaalsContact C-N 3.29Å; L14-S16 PolarHBondContact O-N 3.39Å |
| 17 | V | 54.7 | Low | 55.1 | Low | 73 Ų | 73 | 123.3 Ų | 123.3 | 44% | 0.442 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -69.3 | -43.3 | 177.9 | 176 | 0 | 0 | 0 | 0 | 110.6 | W13 L14 R19 R20 | W13-V17 HydrophobicContact CZ2-CG2 4.45Å; W13-V17 WeakPolarHBondContact O-CG2 3.35Å; W13-V17 PolarHBondContact O-N 3.33Å; L14-V17 PolarHBondContact O-N 3.38Å; V17-R19 VanDerWaalsContact C-N 3.3Å; V17-R19 PolarHBondContact O-N 3.23Å; V17-R20 PolarHBondContact O-N 3.39Å |
| 18 | V | 54.8 | Low | 55.4 | Low | 113 Ų | 113 | 123 Ų | 123 | 69% | 0.685 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -65.2 | -32.6 | 177.2 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | L14 R20 | L14-V18 WeakPolarHBondContact O-CG2 3.41Å; L14-V18 PolarHBondContact O-N 2.76Å; V18-R20 VanDerWaalsContact C-N 3.28Å; V18-R20 PolarHBondContact O-N 3.01Å |
| 19 | R | 53.3 | Low | 54.9 | Low | 216 Ų | 216 | 123.4 Ų | 123.4 | 82% | 0.815 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -16.6 | 177.2 | -90.4 | 179.8 | 141.2 | 176.7 | -4.8 | 114.8 | S15 V17 | S15-R19 PolarHBondContact O-N 3.47Å; V17-R19 VanDerWaalsContact C-N 3.3Å; V17-R19 PolarHBondContact O-N 3.23Å |
| 20 | R | 56.1 | Low | 55.1 | Low | 221 Ų | 221 | 120.3 Ų | 120.3 | 83% | 0.834 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -3.5 | -179.4 | -72.3 | -173.4 | -170.2 | -170.2 | 3.4 | 114.2 | V17 V18 Q22 | V17-R20 PolarHBondContact O-N 3.39Å; V18-R20 VanDerWaalsContact C-N 3.28Å; V18-R20 PolarHBondContact O-N 3.01Å; R20-Q22 PolarHBondContact O-N 3.33Å; R20-Q22 VanDerWaalsContact C-N 3.26Å |
| 21 | T | 55.1 | Low | 55.3 | Low | 118 Ų | 118 | 123 Ų | 123 | 72% | 0.724 | 68% | 0.681 | S | S | * | * | | | trans | -97.2 | 42 | 169.5 | 1.8 | 0 | 0 | 0 | 0 | 110.5 | P23 | T21-P23 WeakPolarHBondContact O-CD 3.49Š|
| 22 | Q | 58.4 | Low | 55.5 | Low | 169 Ų | 169 | 122.2 Ų | 122.2 | 79% | 0.79 | 69% | 0.685 | S | S | * | * | | | trans | -69.3 | 118.8 | 159.6 | -143.3 | 171.6 | 44.3 | 0 | 0 | 105.4 | R20 A24 | R20-Q22 PolarHBondContact O-N 3.33Å; R20-Q22 VanDerWaalsContact C-N 3.26Å; Q22-A24 PolarHBondContact O-N 2.99Å |
| 23 | P | 54.9 | Low | 55.4 | Low | 112 Ų | 112 | 122.3 Ų | 122.3 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | | | trans | -54.8 | 122.5 | 171.3 | 22.3 | -29.6 | 0 | 0 | 0 | 105.5 | T21 H25 | T21-P23 WeakPolarHBondContact O-CD 3.49Å; P23-H25 VanDerWaalsContact C-N 3.26Å; P23-H25 PolarHBondContact O-N 3.07Å |
| 24 | A | 60.3 | Low | 55.8 | Low | 86 Ų | 86 | 118.9 Ų | 118.9 | 71% | 0.711 | 69% | 0.689 | S | S | * | * | | | trans | -51.7 | 105.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 104.7 | Q22 C26 | Q22-A24 PolarHBondContact O-N 2.99Å; A24-C26 PolarHBondContact O-N 3.46Å |
| 25 | H | 53.5 | Low | 56.4 | Low | 166 Ų | 166 | 124.7 Ų | 124.7 | 77% | 0.769 | 70% | 0.704 | S | S | * | * | | | trans | -65.1 | 94.6 | 176.2 | -166.4 | -127.4 | 0 | 0 | 0 | 103.3 | P23 T27 | P23-H25 VanDerWaalsContact C-N 3.26Å; P23-H25 PolarHBondContact O-N 3.07Å; H25-T27 PolarHBondContact O-N 2.73Å |
| 26 | C | 53.4 | Low | 56.9 | Low | 106 Ų | 106 | 126.9 Ų | 126.9 | 72% | 0.716 | 72% | 0.716 | S | S | * | * | | | trans | -65.8 | 83.8 | 171.7 | -66.4 | 0 | 0 | 0 | 0 | 105 | A24 T28 | A24-C26 PolarHBondContact O-N 3.46Å; C26-T28 PolarHBondContact O-N 2.78Å; C26-T28 PolarHBondContact O-OG1 2.74Å |
| 27 | T | 60.1 | Low | 57.7 | Low | 110 Ų | 110 | 134.1 Ų | 134.1 | 68% | 0.675 | 73% | 0.734 | S | S | * | * | | | trans | -59.5 | 94.7 | 158.1 | 42.8 | 0 | 0 | 0 | 0 | 104.3 | H25 S29 | H25-T27 PolarHBondContact O-N 2.73Å; T27-S29 PolarHBondContact O-N 2.79Å |
| 28 | T | 59.8 | Low | 58 | Low | 118 Ų | 118 | 136.9 Ų | 136.9 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | | | trans | -60.2 | 97.4 | 172.2 | -53.8 | 0 | 0 | 0 | 0 | 104.3 | C26 T30 | C26-T28 PolarHBondContact O-N 2.78Å; C26-T28 PolarHBondContact O-OG1 2.74Å; T28-T30 PolarHBondContact O-N 2.8Å |
| 29 | S | 49.3 | Very low | 58.4 | Low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | | | trans | -65 | 92.5 | 174.5 | -160.9 | 0 | 0 | 0 | 0 | 104.9 | T27 T31 | T27-S29 PolarHBondContact O-N 2.79Å; S29-T31 PolarHBondContact O-N 2.91Å |
| 30 | T | 57.1 | Low | 59.1 | Low | 122 Ų | 122 | 140.9 Ų | 140.9 | 75% | 0.748 | 75% | 0.753 | S | S | * | * | | | trans | -64.7 | 95 | 171.3 | -60.3 | 0 | 0 | 0 | 0 | 103.9 | T28 A32 | T28-T30 PolarHBondContact O-N 2.8Å; T30-A32 PolarHBondContact O-N 2.79Å |
| 31 | T | 61.8 | Low | 59.4 | Low | 120 Ų | 120 | 135.8 Ų | 135.8 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | | | trans | -64.3 | 100.5 | 172.2 | -49.5 | 0 | 0 | 0 | 0 | 103.4 | S29 S33 | S29-T31 PolarHBondContact O-N 2.91Å; T31-S33 PolarHBondContact O-N 2.82Å |
| 32 | A | 59.2 | Low | 60.2 | Low | 83 Ų | 83 | 132.7 Ų | 132.7 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | | | trans | -52.3 | 114.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 105.6 | T30 | T30-A32 PolarHBondContact O-N 2.79Š|
| 33 | S | 52 | Low | 60.6 | Low | 96 Ų | 96 | 130.6 Ų | 130.6 | 67% | 0.671 | 74% | 0.741 | S | S | * | * | | | trans | -34.6 | 129.6 | 178.7 | 179.7 | 0 | 0 | 0 | 0 | 109.9 | T31 R35 | T31-S33 PolarHBondContact O-N 2.82Å; S33-R35 PolarHBondContact O-N 2.85Å |
| 34 | P | 57.6 | Low | 61.4 | Low | 113 Ų | 113 | 130.5 Ų | 130.5 | 73% | 0.734 | 74% | 0.738 | S | S | * | * | | | trans | -58 | 112.2 | 172.4 | 24.9 | -30.7 | 0 | 0 | 0 | 106 | P36 | P34-P36 WeakPolarHBondContact O-CD 3.44Å; P34-P36 VanDerWaalsContact O-N 3.14Å |
| 35 | R | 67.4 | Low | 61.7 | Low | 230 Ų | 230 | 133.6 Ų | 133.6 | 87% | 0.868 | 74% | 0.742 | S | S | * | * | | | trans | -54.2 | 124.7 | 169 | -84.8 | -174.8 | 168.1 | -173.5 | -3 | 105.5 | S33 R37 | S33-R35 PolarHBondContact O-N 2.85Å; R35-R37 PolarHBondContact O-N 2.9Å |
| 36 | P | 62.4 | Low | 61.8 | Low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | -59.4 | 112.5 | 172.3 | 23.6 | -30 | 0 | 0 | 0 | 106.4 | P34 | P34-P36 WeakPolarHBondContact O-CD 3.44Å; P34-P36 VanDerWaalsContact O-N 3.14Å |
| 37 | R | 69.8 | Low | 62.1 | Low | 215 Ų | 215 | 136.7 Ų | 136.7 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | | | trans | -61.4 | 153.1 | 163.9 | -84.7 | -178 | 156.8 | -151.1 | -2.2 | 107.3 | R35 | R35-R37 PolarHBondContact O-N 2.9Š|
| 38 | H | 61.5 | Low | 61.8 | Low | 132 Ų | 132 | 140.4 Ų | 140.4 | 61% | 0.611 | 76% | 0.763 | S | S | * | * | | | trans | 95.1 | 99.5 | 163.9 | -57 | -83.2 | 0 | 0 | 0 | 115.4 | | |
| 39 | W | 63.6 | Low | 61.3 | Low | 259 Ų | 259 | 142.7 Ų | 142.7 | 98% | 0.981 | 79% | 0.794 | S | S | * | * | | | | -133.1 | 131.6 | 97.6 | -67.3 | 87.9 | 0 | 0 | 0 | 109.2 | | |
| 40 | M | 67.1 | Low | 61.9 | Low | 153 Ų | 153 | 144.7 Ų | 144.7 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 149.3 | 179.1 | -64.6 | -132.9 | 78.7 | 0 | 0 | 110.6 | G42 | M40-G42 PolarHBondContact O-N 3.12Å; M40-G42 VanDerWaalsContact O-N 3.12Å |
| 41 | P | 63.5 | Low | 62.2 | Low | 115 Ų | 115 | 145.8 Ų | 145.8 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -60 | 120 | 160 | 26 | -29.1 | 0 | 0 | 0 | 107.1 | | |
| 42 | G | 71 | Confident | 62.2 | Low | 52 Ų | 52 | 147.3 Ų | 147.3 | 54% | 0.536 | 80% | 0.803 | S | S | . | * | P | Polyproline II helix | trans | -55.9 | 162.5 | 172 | 0 | 0 | 0 | 0 | 0 | 110.3 | M40 T44 | M40-G42 PolarHBondContact O-N 3.12Å; M40-G42 VanDerWaalsContact O-N 3.12Å; G42-T44 PolarHBondContact O-N 2.93Å |
| 43 | P | 68 | Low | 62.4 | Low | 126 Ų | 126 | 151.1 Ų | 151.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | | | trans | -55.7 | 115.4 | 177.2 | 24 | -32.4 | 0 | 0 | 0 | 108.8 | L45 | P43-L45 PolarHBondContact O-N 2.93Š|
| 44 | T | 70.4 | Confident | 63 | Low | 109 Ų | 109 | 154.5 Ų | 154.5 | 67% | 0.669 | 82% | 0.819 | S | S | * | * | | | trans | -60.4 | 103.9 | 167.9 | -54.4 | 0 | 0 | 0 | 0 | 106 | G42 W46 | G42-T44 PolarHBondContact O-N 2.93Å; T44-W46 PolarHBondContact O-N 3.3Å |
| 45 | L | 66.6 | Low | 63.4 | Low | 151 Ų | 151 | 157.3 Ų | 157.3 | 79% | 0.791 | 83% | 0.825 | S | S | * | * | | | trans | -63.3 | 93.2 | 164.2 | -69 | 172.8 | 0 | 0 | 0 | 105.8 | P43 S47 | P43-L45 PolarHBondContact O-N 2.93Å; L45-S47 VanDerWaalsContact C-N 3.26Å; L45-S47 PolarHBondContact O-N 2.86Å |
| 46 | W | 56 | Low | 63.1 | Low | 234 Ų | 234 | 152.1 Ų | 152.1 | 89% | 0.886 | 82% | 0.821 | S | S | * | * | | | trans | -57.8 | 103.2 | 162.3 | -82.1 | 58.5 | 0 | 0 | 0 | 105 | T44 L48 | T44-W46 PolarHBondContact O-N 3.3Å; W46-L48 PolarHBondContact O-N 2.83Å |
| 47 | S | 59.1 | Low | 63.2 | Low | 104 Ų | 104 | 154.1 Ų | 154.1 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | | | trans | -58.5 | 126.4 | -178.6 | -67 | 0 | 0 | 0 | 0 | 107.6 | L45 A49 | L45-S47 VanDerWaalsContact C-N 3.26Å; L45-S47 PolarHBondContact O-N 2.86Å; S47-A49 PolarHBondContact O-N 3.04Å |
| 48 | L | 54.4 | Low | 62.6 | Low | 187 Ų | 187 | 149 Ų | 149 | 98% | 0.979 | 82% | 0.823 | S | S | * | * | | | trans | -61.3 | 107.6 | 160.5 | -83.2 | 105.3 | 0 | 0 | 0 | 107 | W46 | W46-L48 PolarHBondContact O-N 2.83Š|
| 49 | A | 50 | Low | 62.7 | Low | 166 Ų | 166 | 150.5 Ų | 150.5 | 100% | 1.372 | 84% | 0.842 | S | S | * | * | | | trans | -142 | 0 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | S47 | S47-A49 PolarHBondContact O-N 3.04Š|