| 1 | M | 46.7 | Very low | 52.6 | Low | 189 Ų | 189 | 131.3 Ų | 131.3 | 93% | 0.931 | 70% | 0.702 | S | S | * | * | | | | 0 | 112.4 | 0 | -152.5 | 176.7 | -145.6 | 0 | 0 | 106.7 | F3 T22 | M1-F3 HydrophobicContact CB-CE2 4.26Å; M1-F3 HydrophobicContact CG-CE2 4.01Å; M1-F3 HydrophobicContact CG-CZ 4.27Å; M1-F3 HydrophobicContact SD-CE2 3.91Å; M1-F3 HydrophobicContact SD-CZ 3.8Å; M1-T22 PolarHBondContact O-OG1 3.24Å |
| 2 | V | 49.2 | Very low | 52.5 | Low | 108 Ų | 108 | 127.3 Ų | 127.3 | 66% | 0.655 | 72% | 0.715 | S | S | * | * | | | trans | -95.7 | 120.9 | -178.9 | 179.5 | 0 | 0 | 0 | 0 | 107.8 | | |
| 3 | F | 54.2 | Low | 52.7 | Low | 148 Ų | 148 | 129.8 Ų | 129.8 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | | | trans | -97.9 | 109 | 172.4 | -72.2 | -88.8 | 0 | 0 | 0 | 108.1 | M1 | M1-F3 HydrophobicContact CB-CE2 4.26Å; M1-F3 HydrophobicContact CG-CE2 4.01Å; M1-F3 HydrophobicContact CG-CZ 4.27Å; M1-F3 HydrophobicContact SD-CE2 3.91Å; M1-F3 HydrophobicContact SD-CZ 3.8Å |
| 4 | Q | 50.3 | Low | 52.8 | Low | 147 Ų | 147 | 133.1 Ų | 133.1 | 69% | 0.687 | 73% | 0.729 | S | S | * | * | | | trans | -93.1 | 99.5 | 172.4 | -163.2 | 176 | 43.3 | 0 | 0 | 108.3 | | |
| 5 | G | 59.3 | Low | 52.7 | Low | 45 Ų | 45 | 132.2 Ų | 132.2 | 46% | 0.464 | 73% | 0.729 | S | S | . | * | | | trans | -93.4 | 125.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 6 | R | 58.8 | Low | 52.9 | Low | 212 Ų | 212 | 127.9 Ų | 127.9 | 80% | 0.8 | 72% | 0.716 | S | S | * | * | | | trans | -85.6 | 105.7 | 165.6 | -69.3 | -178.7 | 178.2 | 170.1 | -0.7 | 107.9 | F8 | R6-F8 HydrophobicContact CB-CE2 4.45Š|
| 7 | M | 55.9 | Low | 53.2 | Low | 130 Ų | 130 | 126.1 Ų | 126.1 | 64% | 0.64 | 71% | 0.708 | S | S | * | * | | | trans | -89.9 | 118.1 | 167.7 | -79.1 | -176.4 | -79.6 | 0 | 0 | 108.6 | A9 V18 | M7-A9 PolarHBondContact O-N 2.87Å; M7-V18 HydrophobicContact CE-CG2 4.35Å |
| 8 | F | 51.3 | Low | 53.3 | Low | 180 Ų | 180 | 123 Ų | 123 | 79% | 0.789 | 69% | 0.693 | S | S | * | * | | | trans | -80.2 | 106.2 | 169.3 | -68.3 | -88.5 | 0 | 0 | 0 | 107.7 | R6 G10 | R6-F8 HydrophobicContact CB-CE2 4.45Å; F8-G10 PolarHBondContact O-N 3.33Å |
| 9 | A | 54.4 | Low | 53.3 | Low | 66 Ų | 66 | 121.3 Ų | 121.3 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | | | trans | -70.2 | 115.7 | 161.8 | 0 | 0 | 0 | 0 | 0 | 106.6 | M7 D11 | M7-A9 PolarHBondContact O-N 2.87Å; A9-D11 PolarHBondContact O-N 3.46Å |
| 10 | G | 46.8 | Very low | 53.4 | Low | 78 Ų | 78 | 121.3 Ų | 121.3 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -69.4 | 76.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110.1 | F8 | F8-G10 PolarHBondContact O-N 3.33Š|
| 11 | D | 51.8 | Low | 53.5 | Low | 141 Ų | 141 | 123.1 Ų | 123.1 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -162.2 | 112.9 | 156.5 | -90.2 | -30 | 0 | 0 | 0 | 104.4 | A9 D13 | A9-D11 PolarHBondContact O-N 3.46Å; D11-D13 PolarHBondContact O-N 2.88Å |
| 12 | G | 51.7 | Low | 54.1 | Low | 84 Ų | 84 | 118.7 Ų | 118.7 | 87% | 0.866 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 45 | -158.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 13 | D | 55.2 | Low | 54.6 | Low | 160 Ų | 160 | 117.9 Ų | 117.9 | 86% | 0.856 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.8 | 7 | 174.4 | -109 | -20.1 | 0 | 0 | 0 | 116.4 | D11 | D11-D13 PolarHBondContact O-N 2.88Š|
| 14 | K | 53.6 | Low | 54.8 | Low | 175 Ų | 175 | 116.2 Ų | 116.2 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | | | trans | -137.6 | 95 | -177.7 | -63.1 | 179.9 | -173.4 | 166.1 | 0 | 112.7 | A16 | K14-A16 PolarHBondContact O-N 3.22Š|
| 15 | V | 52 | Low | 55.2 | Low | 120 Ų | 120 | 118.8 Ų | 118.8 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | | | trans | -82.4 | 99.9 | 167.2 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | V17 | V15-V17 HydrophobicContact CG1-CG2 4.17Å; V15-V17 PolarHBondContact O-N 3.03Å |
| 16 | A | 55.8 | Low | 55 | Low | 63 Ų | 63 | 121.8 Ų | 121.8 | 52% | 0.521 | 70% | 0.701 | S | S | . | * | | | trans | -83.6 | 105.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | K14 V18 | K14-A16 PolarHBondContact O-N 3.22Å; A16-V18 PolarHBondContact O-N 2.88Å |
| 17 | V | 57.6 | Low | 54.7 | Low | 97 Ų | 97 | 114.9 Ų | 114.9 | 59% | 0.588 | 70% | 0.696 | S | S | * | * | | | trans | -79.9 | 97.3 | 170.7 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | V15 T19 | V15-V17 HydrophobicContact CG1-CG2 4.17Å; V15-V17 PolarHBondContact O-N 3.03Å; V17-T19 PolarHBondContact O-N 3.31Å |
| 18 | V | 55.6 | Low | 54.6 | Low | 71 Ų | 71 | 116 Ų | 116 | 43% | 0.43 | 71% | 0.711 | S | S | . | * | | | trans | -84.2 | 108 | 171.9 | -175.4 | 0 | 0 | 0 | 0 | 108.3 | M7 A16 L20 | M7-V18 HydrophobicContact CE-CG2 4.35Å; A16-V18 PolarHBondContact O-N 2.88Å; V18-L20 HydrophobicContact CG1-CG 4.38Å |
| 19 | T | 52.2 | Low | 54.8 | Low | 90 Ų | 90 | 118.3 Ų | 118.3 | 55% | 0.552 | 71% | 0.714 | S | S | * | * | | | trans | -91.6 | 106.5 | 172.2 | -53.8 | 0 | 0 | 0 | 0 | 108.7 | V17 Q21 | V17-T19 PolarHBondContact O-N 3.31Å; T19-Q21 PolarHBondContact O-N 3.29Å |
| 20 | L | 55.7 | Low | 54.9 | Low | 121 Ų | 121 | 124.1 Ų | 124.1 | 63% | 0.634 | 73% | 0.73 | S | S | * | * | | | trans | -82 | 94.9 | 172.1 | -74.3 | 161.9 | 0 | 0 | 0 | 108.7 | V18 T22 | V18-L20 HydrophobicContact CG1-CG 4.38Å; L20-T22 PolarHBondContact O-N 3.44Å |
| 21 | Q | 55 | Low | 55.6 | Low | 161 Ų | 161 | 126.7 Ų | 126.7 | 75% | 0.752 | 73% | 0.73 | S | S | * | * | | | trans | -80.6 | 104.6 | 171.3 | -168.9 | 170.4 | -30.7 | 0 | 0 | 109 | T19 S23 | T19-Q21 PolarHBondContact O-N 3.29Å; Q21-S23 PolarHBondContact O-N 3.07Å |
| 22 | T | 59.9 | Low | 56 | Low | 96 Ų | 96 | 125.6 Ų | 125.6 | 59% | 0.589 | 73% | 0.731 | S | S | * | * | | | trans | -78.5 | 100.1 | 167.3 | 46.1 | 0 | 0 | 0 | 0 | 108.1 | M1 L20 | M1-T22 PolarHBondContact O-OG1 3.24Å; L20-T22 PolarHBondContact O-N 3.44Å |
| 23 | S | 60.1 | Low | 56.2 | Low | 90 Ų | 90 | 130.6 Ų | 130.6 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | | | trans | -64.3 | 129.4 | 171.5 | -64.2 | 0 | 0 | 0 | 0 | 109.3 | Q21 M25 | Q21-S23 PolarHBondContact O-N 3.07Å; S23-M25 PolarHBondContact O-N 3.27Å |
| 24 | P | 58.7 | Low | 56.6 | Low | 113 Ų | 113 | 127.6 Ų | 127.6 | 73% | 0.734 | 73% | 0.731 | S | S | * | * | | | trans | -62.9 | 125.7 | 170.1 | 25.5 | -30.7 | 0 | 0 | 0 | 108.6 | S26 | P24-S26 VanDerWaalsContact C-N 3.27Å; P24-S26 PolarHBondContact O-N 3.46Å |
| 25 | M | 57.8 | Low | 56.9 | Low | 201 Ų | 201 | 128.9 Ų | 128.9 | 99% | 0.99 | 74% | 0.737 | S | S | * | * | | | trans | -66.4 | 90.7 | 167.9 | -73.8 | -175.1 | 72.8 | 0 | 0 | 108.1 | S23 | S23-M25 PolarHBondContact O-N 3.27Š|
| 26 | S | 56.2 | Low | 57.5 | Low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | | | trans | -103.4 | 127.5 | 170.8 | 71.8 | 0 | 0 | 0 | 0 | 110.2 | P24 | P24-S26 VanDerWaalsContact C-N 3.27Å; P24-S26 PolarHBondContact O-N 3.46Å |
| 27 | G | 52.3 | Low | 57.9 | Low | 68 Ų | 68 | 137 Ų | 137 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | 93.2 | 90.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R29 | G27-R29 VanDerWaalsContact C-N 3.28Å; G27-R29 PolarHBondContact O-N 3.34Å |
| 28 | T | 52.6 | Low | 58.2 | Low | 154 Ų | 154 | 141.2 Ų | 141.2 | 95% | 0.945 | 77% | 0.769 | S | S | * | * | | | trans | -50.7 | 94.1 | 150.4 | 42.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 29 | R | 54.9 | Low | 58.7 | Low | 227 Ų | 227 | 145.9 Ų | 145.9 | 86% | 0.857 | 79% | 0.786 | S | S | * | * | | | trans | -100.7 | 116.7 | 166.1 | -169.6 | 176 | 177.2 | -176.3 | -0.5 | 106.8 | G27 T31 | G27-R29 VanDerWaalsContact C-N 3.28Å; G27-R29 PolarHBondContact O-N 3.34Å; R29-T31 PolarHBondContact O-N 3.33Å |
| 30 | E | 58 | Low | 59.3 | Low | 188 Ų | 188 | 146.9 Ų | 146.9 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | | | trans | -51.1 | 109.3 | 176.2 | -63.4 | 178.6 | 155 | 0 | 0 | 110.1 | P32 | E30-P32 WeakPolarHBondContact O-CD 3.48Š|
| 31 | T | 61.2 | Low | 59.9 | Low | 133 Ų | 133 | 147.2 Ų | 147.2 | 82% | 0.816 | 80% | 0.801 | S | S | * | * | | | trans | -82.1 | 118.6 | 169.3 | 12.4 | 0 | 0 | 0 | 0 | 108.5 | R29 M33 | R29-T31 PolarHBondContact O-N 3.33Å; T31-M33 PolarHBondContact O-N 3.42Å |
| 32 | P | 59.7 | Low | 60.6 | Low | 118 Ų | 118 | 144.4 Ų | 144.4 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | | | trans | -60.5 | 138 | 171.5 | 24.9 | -31.7 | 0 | 0 | 0 | 109.2 | E30 A34 | E30-P32 WeakPolarHBondContact O-CD 3.48Å; P32-A34 PolarHBondContact O-N 3.34Å |
| 33 | M | 55.6 | Low | 60.9 | Low | 189 Ų | 189 | 145.9 Ų | 145.9 | 93% | 0.931 | 81% | 0.808 | S | S | * | * | | | trans | -44.4 | 103 | -176.2 | -71.3 | -179 | 70.4 | 0 | 0 | 111.6 | T31 K35 | T31-M33 PolarHBondContact O-N 3.42Å; M33-K35 PolarHBondContact O-N 3.21Å |
| 34 | A | 63 | Low | 61 | Low | 96 Ų | 96 | 147 Ų | 147 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.2 | 172 | 0 | 0 | 0 | 0 | 0 | 108.2 | P32 R36 | P32-A34 PolarHBondContact O-N 3.34Å; A34-R36 PolarHBondContact O-N 3.39Å |
| 35 | K | 61.9 | Low | 61.1 | Low | 202 Ų | 202 | 147.9 Ų | 147.9 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 128.9 | 176.7 | -68 | 174.9 | 178.9 | 177.9 | 0 | 109.5 | M33 | M33-K35 PolarHBondContact O-N 3.21Š|
| 36 | R | 63 | Low | 61.2 | Low | 235 Ų | 235 | 144.2 Ų | 144.2 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 124.4 | 177.6 | -143.6 | 175.9 | 175.4 | -173.5 | -3.1 | 108.5 | A34 H38 | A34-R36 PolarHBondContact O-N 3.39Å; R36-H38 PolarHBondContact O-N 3.23Å |
| 37 | P | 65.5 | Low | 61.2 | Low | 118 Ų | 118 | 144.9 Ų | 144.9 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128.6 | 176.9 | 21.8 | -30.3 | 0 | 0 | 0 | 108.5 | Q39 | P37-Q39 PolarHBondContact O-N 3.09Š|
| 38 | H | 62.3 | Low | 61.3 | Low | 186 Ų | 186 | 148.4 Ų | 148.4 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | | | trans | -52.1 | 115.5 | 176.1 | -138.8 | -60.5 | 0 | 0 | 0 | 107.7 | R36 P40 | R36-H38 PolarHBondContact O-N 3.23Å; H38-P40 WeakPolarHBondContact O-CD 3.35Å |
| 39 | Q | 67.2 | Low | 61.4 | Low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 121.9 | 174.6 | -167.6 | 176 | 10.8 | 0 | 0 | 106.8 | P37 T41 | P37-Q39 PolarHBondContact O-N 3.09Å; Q39-T41 PolarHBondContact O-N 2.95Å |
| 40 | P | 64.1 | Low | 61.4 | Low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -64 | 129.3 | 174.6 | 23.8 | -29.7 | 0 | 0 | 0 | 108.5 | H38 | H38-P40 WeakPolarHBondContact O-CD 3.35Š|
| 41 | T | 68.8 | Low | 61.3 | Low | 127 Ų | 127 | 130.2 Ų | 130.2 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 131 | 173.3 | -40.7 | 0 | 0 | 0 | 0 | 108.7 | Q39 | Q39-T41 PolarHBondContact O-N 2.95Š|
| 42 | P | 69.4 | Low | 61 | Low | 102 Ų | 102 | 132.2 Ų | 132.2 | 66% | 0.662 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 138.9 | 177.2 | 23.9 | -32.7 | 0 | 0 | 0 | 109.6 | T44 | P42-T44 PolarHBondContact O-N 2.72Š|
| 43 | P | 67.2 | Low | 60.7 | Low | 128 Ų | 128 | 134.5 Ų | 134.5 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 124 | 176.9 | 23.9 | -31.4 | 0 | 0 | 0 | 108.9 | | |
| 44 | T | 61.6 | Low | 60.8 | Low | 114 Ų | 114 | 130.2 Ų | 130.2 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 142.6 | 171.6 | -43.9 | 0 | 0 | 0 | 0 | 108.4 | P42 V46 | P42-T44 PolarHBondContact O-N 2.72Å; T44-V46 HydrophobicContact CG2-CG2 3.87Å; T44-V46 PolarHBondContact O-N 3.23Å |
| 45 | D | 61.6 | Low | 60.6 | Low | 130 Ų | 130 | 132.1 Ų | 132.1 | 70% | 0.695 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | 36.8 | -167.7 | -157 | 9 | 0 | 0 | 0 | 115.2 | Q48 | D45-Q48 PolarHBondContact OD1-NE2 3.4Š|
| 46 | V | 59.3 | Low | 60.6 | Low | 124 Ų | 124 | 126.5 Ų | 126.5 | 75% | 0.752 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 5 | -171.7 | -110.5 | 0 | 0 | 0 | 0 | 113.7 | T44 | T44-V46 HydrophobicContact CG2-CG2 3.87Å; T44-V46 PolarHBondContact O-N 3.23Å |
| 47 | D | 56.2 | Low | 60.2 | Low | 123 Ų | 123 | 123 Ų | 123 | 66% | 0.658 | 71% | 0.713 | S | S | * | * | | | trans | -138.8 | 43.2 | -177.2 | -117.6 | -15.6 | 0 | 0 | 0 | 113.2 | G49 A50 | D47-G49 PolarHBondContact O-N 3.18Å; D47-A50 PolarHBondContact O-N 2.73Å; D47-A50 VanDerWaalsContact O-N 3.09Å |
| 48 | Q | 55.1 | Low | 59.7 | Low | 142 Ų | 142 | 128.5 Ų | 128.5 | 66% | 0.664 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -8.8 | 175.8 | -66.6 | -166.9 | 8.3 | 0 | 0 | 113.7 | D45 | D45-Q48 PolarHBondContact OD1-NE2 3.4Š|
| 49 | G | 54.7 | Low | 59.7 | Low | 63 Ų | 63 | 131 Ų | 131 | 65% | 0.649 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -20.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D47 | D47-G49 PolarHBondContact O-N 3.18Š|
| 50 | A | 54.2 | Low | 59.3 | Low | 55 Ų | 55 | 131.5 Ų | 131.5 | 46% | 0.455 | 72% | 0.722 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.4 | -13.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D47 F52 | D47-A50 PolarHBondContact O-N 2.73Å; D47-A50 VanDerWaalsContact O-N 3.09Å; A50-F52 PolarHBondContact O-N 3.37Å |
| 51 | A | 55.5 | Low | 59.1 | Low | 68 Ų | 68 | 130.1 Ų | 130.1 | 56% | 0.562 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -72.6 | -10.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | H53 | A51-H53 VanDerWaalsContact C-N 3.27Å; A51-H53 PolarHBondContact O-N 2.83Å |
| 52 | F | 56.1 | Low | 58.8 | Low | 176 Ų | 176 | 128 Ų | 128 | 77% | 0.772 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -79.1 | -5.4 | -179.7 | -70.2 | -75.9 | 0 | 0 | 0 | 114.4 | A50 | A50-F52 PolarHBondContact O-N 3.37Š|
| 53 | H | 53.3 | Low | 58.3 | Low | 165 Ų | 165 | 131.5 Ų | 131.5 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -116.2 | 6.5 | -176.6 | -65.4 | -59.3 | 0 | 0 | 0 | 115.3 | A51 T55 | A51-H53 VanDerWaalsContact C-N 3.27Å; A51-H53 PolarHBondContact O-N 2.83Å; H53-T55 PolarHBondContact O-N 2.97Å |
| 54 | T | 55.8 | Low | 57.7 | Low | 100 Ų | 100 | 136.1 Ų | 136.1 | 61% | 0.613 | 71% | 0.712 | S | S | * | * | | | trans | -92.3 | 97.8 | 174.5 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | A56 | T54-A56 PolarHBondContact O-N 2.79Š|
| 55 | T | 60 | Low | 57.5 | Low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 9.2 | -177.4 | 38.2 | 0 | 0 | 0 | 0 | 115.4 | H53 | H53-T55 PolarHBondContact O-N 2.97Š|
| 56 | A | 60.7 | Low | 57.3 | Low | 84 Ų | 84 | 127.2 Ų | 127.2 | 69% | 0.694 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -4.9 | -166.6 | 0 | 0 | 0 | 0 | 0 | 116 | T54 | T54-A56 PolarHBondContact O-N 2.79Š|
| 57 | H | 55.5 | Low | 57.2 | Low | 160 Ų | 160 | 130 Ų | 130 | 74% | 0.741 | 67% | 0.666 | S | S | * | * | | | trans | -118.2 | 47.4 | -178.1 | -61.1 | -36.8 | 0 | 0 | 0 | 112.9 | R59 | H57-R59 VanDerWaalsContact C-N 3.26Å; H57-R59 PolarHBondContact O-N 3.33Å |
| 58 | R | 55.7 | Low | 57.3 | Low | 234 Ų | 234 | 129.2 Ų | 129.2 | 88% | 0.883 | 66% | 0.658 | S | S | * | * | | | trans | -61.4 | 96.5 | 162.4 | -81.4 | -171.1 | 172.9 | -178.4 | -0.6 | 108.1 | H60 | R58-H60 PolarHBondContact O-N 2.83Š|
| 59 | R | 61.5 | Low | 57.2 | Low | 239 Ų | 239 | 128.4 Ų | 128.4 | 90% | 0.902 | 65% | 0.649 | S | S | * | * | | | trans | -48 | 109.2 | 171.5 | -65.5 | 179.4 | 177.7 | -179.5 | -0.5 | 107.4 | H57 | H57-R59 VanDerWaalsContact C-N 3.26Å; H57-R59 PolarHBondContact O-N 3.33Å |
| 60 | H | 58.5 | Low | 57.4 | Low | 180 Ų | 180 | 130.5 Ų | 130.5 | 83% | 0.833 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 125.8 | 172 | -95.2 | -89.4 | 0 | 0 | 0 | 107.7 | R58 S62 | R58-H60 PolarHBondContact O-N 2.83Å; H60-S62 PolarHBondContact O-N 3.32Å |
| 61 | P | 60.5 | Low | 57.6 | Low | 83 Ų | 83 | 132.8 Ų | 132.8 | 54% | 0.539 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 133.8 | 171.1 | 22.8 | -30.2 | 0 | 0 | 0 | 107.4 | Q63 W69 | P61-Q63 PolarHBondContact O-N 3.27Å; P61-W69 HydrophobicContact CB-CZ2 4.41Å |
| 62 | S | 61.8 | Low | 57.8 | Low | 83 Ų | 83 | 135.7 Ų | 135.7 | 58% | 0.58 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 136.8 | 178.7 | 64.8 | 0 | 0 | 0 | 0 | 109.1 | H60 R64 G65 S66 | H60-S62 PolarHBondContact O-N 3.32Å; S62-R64 PolarHBondContact O-N 3.46Å; S62-G65 PolarHBondContact O-N 3.06Å; S62-G65 PolarHBondContact OG-N 3.47Å; S62-S66 PolarHBondContact O-N 2.9Å |
| 63 | Q | 59 | Low | 57.9 | Low | 174 Ų | 174 | 131.6 Ų | 131.6 | 81% | 0.813 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -55.1 | -17.5 | 179.7 | -71.6 | -168.4 | -7.7 | 0 | 0 | 112.8 | P61 S66 R67 | P61-Q63 PolarHBondContact O-N 3.27Å; Q63-S66 WeakPolarHBondContact O-CA 2.88Å; Q63-R67 PolarHBondContact O-N 2.87Å |
| 64 | R | 55.5 | Low | 58.2 | Low | 226 Ų | 226 | 132.8 Ų | 132.8 | 85% | 0.853 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.9 | -41 | 174.6 | -143.5 | 176 | -171.8 | -118.2 | 2.1 | 112.8 | S62 | S62-R64 PolarHBondContact O-N 3.46Å |
| 65 | G | 58.3 | Low | 58.4 | Low | 27 Ų | 27 | 132.2 Ų | 132.2 | 28% | 0.278 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.9 | -50.6 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | S62 R67 H68 W69 | S62-G65 PolarHBondContact O-N 3.06Å; S62-G65 PolarHBondContact OG-N 3.47Å; G65-R67 PolarHBondContact O-N 2.98Å; G65-R67 VanDerWaalsContact O-N 3.13Å; G65-H68 WeakPolarHBondContact O-CB 2.92Å; G65-H68 PolarHBondContact O-N 3.06Å; G65-W69 VanDerWaalsContact C-CZ2 3.42Å; G65-W69 PolarHBondContact O-NE1 2.97Å |
| 66 | S | 55.7 | Low | 58.3 | Low | 30 Ų | 30 | 129 Ų | 129 | 21% | 0.21 | 61% | 0.61 | C | S | . | * | H | α-helix | trans | 9.9 | -81.8 | 142.8 | -145.2 | 0 | 0 | 0 | 0 | 119.2 | S62 Q63 W69 M70 | S62-S66 PolarHBondContact O-N 2.9Å; Q63-S66 WeakPolarHBondContact O-CA 2.88Å; S66-W69 VanDerWaalsContact CB-CZ3 3.46Å; S66-W69 WeakPolarHBondContact O-CH2 3.5Å; S66-W69 WeakPolarHBondContact O-CZ3 3.28Å; S66-W69 WeakPolarHBondContact OG-CH2 3.37Å; S66-W69 WeakPolarHBondContact OG-CZ3 3.26Å; S66-M70 WeakPolarHBondContact O-CE 3.47Å |
| 67 | R | 58.8 | Low | 58.3 | Low | 183 Ų | 183 | 128.2 Ų | 128.2 | 69% | 0.691 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -82.7 | -23.4 | -167.9 | -71.8 | 172.4 | 150.2 | -151.3 | -5.1 | 112.4 | Q63 G65 W69 M70 L71 | Q63-R67 PolarHBondContact O-N 2.87Å; G65-R67 PolarHBondContact O-N 2.98Å; G65-R67 VanDerWaalsContact O-N 3.13Å; R67-W69 PolarHBondContact O-N 3.04Å; R67-M70 PolarHBondContact O-N 3.44Å; R67-L71 VanDerWaalsContact O-CG 3.26Å; R67-L71 WeakPolarHBondContact O-CG 3.5Å; R67-L71 PolarHBondContact O-N 3.13Å |
| 68 | H | 57.2 | Low | 58.4 | Low | 106 Ų | 106 | 126.4 Ų | 126.4 | 49% | 0.491 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.8 | -42.7 | -174.5 | -175.9 | 71.2 | 0 | 0 | 0 | 112.2 | G65 K72 | G65-H68 WeakPolarHBondContact O-CB 2.92Å; G65-H68 PolarHBondContact O-N 3.06Å; H68-K72 WeakPolarHBondContact NE2-CE 2.86Å; H68-K72 PolarHBondContact NE2-NZ 3.4Å; H68-K72 PolarHBondContact O-N 3.34Å |
| 69 | W | 52.2 | Low | 58.6 | Low | 125 Ų | 125 | 122.4 Ų | 122.4 | 47% | 0.473 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -74.9 | -37.3 | 179.7 | 5.2 | -90.5 | 0 | 0 | 0 | 112.2 | P61 G65 S66 R67 L71 K72 V73 | P61-W69 HydrophobicContact CB-CZ2 4.41Å; G65-W69 VanDerWaalsContact C-CZ2 3.42Å; G65-W69 PolarHBondContact O-NE1 2.97Å; S66-W69 VanDerWaalsContact CB-CZ3 3.46Å; S66-W69 WeakPolarHBondContact O-CH2 3.5Å; S66-W69 WeakPolarHBondContact O-CZ3 3.28Å; S66-W69 WeakPolarHBondContact OG-CH2 3.37Å; S66-W69 WeakPolarHBondContact OG-CZ3 3.26Å; R67-W69 PolarHBondContact O-N 3.04Å; W69-L71 VanDerWaalsContact C-N 3.3Å; W69-L71 PolarHBondContact O-N 3.34Å; W69-K72 PolarHBondContact O-N 3.42Å; W69-V73 VanDerWaalsContact O-CG2 3.28Å; W69-V73 WeakPolarHBondContact O-CG2 3.46Å; W69-V73 PolarHBondContact O-N 3.31Å |
| 70 | M | 60 | Low | 58.5 | Low | 106 Ų | 106 | 116.8 Ų | 116.8 | 52% | 0.522 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.8 | -37.4 | 174.6 | -82.1 | -171 | -77.2 | 0 | 0 | 112.6 | S66 R67 R74 | S66-M70 WeakPolarHBondContact O-CE 3.47Å; R67-M70 PolarHBondContact O-N 3.44Å; M70-R74 PolarHBondContact O-N 3.04Å |
| 71 | L | 58.9 | Low | 58.4 | Low | 104 Ų | 104 | 114.7 Ų | 114.7 | 55% | 0.545 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.7 | -45.1 | 176.1 | -69.1 | 170.1 | 0 | 0 | 0 | 111.6 | R67 W69 V73 R74 D75 | R67-L71 VanDerWaalsContact O-CG 3.26Å; R67-L71 WeakPolarHBondContact O-CG 3.5Å; R67-L71 PolarHBondContact O-N 3.13Å; W69-L71 VanDerWaalsContact C-N 3.3Å; W69-L71 PolarHBondContact O-N 3.34Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 2.99Å; L71-R74 PolarHBondContact O-N 3.3Å; L71-D75 PolarHBondContact O-N 3.48Å |
| 72 | K | 58.2 | Low | 58.5 | Low | 128 Ų | 128 | 114.6 Ų | 114.6 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.8 | -36.8 | 176.5 | -80.5 | -174 | 170.7 | 170.8 | 0 | 113.6 | H68 W69 S76 | H68-K72 WeakPolarHBondContact NE2-CE 2.86Å; H68-K72 PolarHBondContact NE2-NZ 3.4Å; H68-K72 PolarHBondContact O-N 3.34Å; W69-K72 PolarHBondContact O-N 3.42Å; K72-S76 WeakPolarHBondContact O-CB 3.4Å; K72-S76 PolarHBondContact O-N 3.25Å; K72-S76 VanDerWaalsContact O-N 3.12Å; K72-S76 PolarHBondContact O-OG 3.34Å |
| 73 | V | 59.4 | Low | 58.4 | Low | 91 Ų | 91 | 115.1 Ų | 115.1 | 55% | 0.552 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.7 | -44.2 | 176 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | W69 L71 S76 C77 | W69-V73 VanDerWaalsContact O-CG2 3.28Å; W69-V73 WeakPolarHBondContact O-CG2 3.46Å; W69-V73 PolarHBondContact O-N 3.31Å; L71-V73 VanDerWaalsContact C-N 3.33Å; L71-V73 PolarHBondContact O-N 2.99Å; V73-S76 PolarHBondContact O-N 2.97Å; V73-C77 PolarHBondContact O-N 3.26Å; V73-C77 PolarHBondContact O-SG 3.4Å; V73-C77 VanDerWaalsContact O-SG 3.34Å |
| 74 | R | 60 | Low | 58.7 | Low | 189 Ų | 189 | 110.9 Ų | 110.9 | 71% | 0.713 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.7 | -45.8 | 175.5 | -83.4 | -175.2 | 169 | -175.6 | -3.3 | 112.7 | M70 L71 S76 C77 Q78 | M70-R74 PolarHBondContact O-N 3.04Å; L71-R74 PolarHBondContact O-N 3.3Å; R74-S76 VanDerWaalsContact C-N 3.26Å; R74-S76 PolarHBondContact O-N 2.92Å; R74-C77 PolarHBondContact O-N 3.12Å; R74-Q78 PolarHBondContact O-N 3.22Å |
| 75 | D | 59.8 | Low | 59.1 | Low | 88 Ų | 88 | 105.8 Ų | 105.8 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 177.6 | -74.8 | -7.7 | 0 | 0 | 0 | 111.9 | L71 K79 | L71-D75 PolarHBondContact O-N 3.48Å; D75-K79 VanDerWaalsContact O-CG 3.3Å; D75-K79 WeakPolarHBondContact O-CG 3.32Å; D75-K79 PolarHBondContact O-N 2.78Å; D75-K79 VanDerWaalsContact O-N 3.09Å |
| 76 | S | 58.2 | Low | 59.3 | Low | 68 Ų | 68 | 108.3 Ų | 108.3 | 48% | 0.476 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.7 | -43.7 | 177.4 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | K72 V73 R74 Q78 K79 L80 | K72-S76 WeakPolarHBondContact O-CB 3.4Å; K72-S76 PolarHBondContact O-N 3.25Å; K72-S76 VanDerWaalsContact O-N 3.12Å; K72-S76 PolarHBondContact O-OG 3.34Å; V73-S76 PolarHBondContact O-N 2.97Å; R74-S76 VanDerWaalsContact C-N 3.26Å; R74-S76 PolarHBondContact O-N 2.92Å; S76-Q78 PolarHBondContact O-N 3.09Å; S76-K79 PolarHBondContact O-N 2.95Å; S76-L80 WeakPolarHBondContact O-CG 3.26Å; S76-L80 PolarHBondContact O-N 3.45Å |
| 77 | C | 59.6 | Low | 59.7 | Low | 68 Ų | 68 | 109 Ų | 109 | 46% | 0.459 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -40.4 | 175.6 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | V73 R74 L80 Q81 | V73-C77 PolarHBondContact O-N 3.26Å; V73-C77 PolarHBondContact O-SG 3.4Å; V73-C77 VanDerWaalsContact O-SG 3.34Å; R74-C77 PolarHBondContact O-N 3.12Å; C77-L80 PolarHBondContact O-N 2.95Å; C77-Q81 WeakPolarHBondContact O-CG 3.41Å; C77-Q81 PolarHBondContact O-N 3.26Å |
| 78 | Q | 57.8 | Low | 59.8 | Low | 123 Ų | 123 | 108.5 Ų | 108.5 | 58% | 0.575 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.7 | -41.1 | 178.1 | -167 | 170.8 | 9.9 | 0 | 0 | 111.6 | R74 S76 L80 Q81 T82 | R74-Q78 PolarHBondContact O-N 3.22Å; S76-Q78 PolarHBondContact O-N 3.09Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; Q78-L80 PolarHBondContact O-N 3.33Å; Q78-Q81 PolarHBondContact O-N 2.86Å; Q78-T82 PolarHBondContact O-N 3Å; Q78-T82 VanDerWaalsContact O-N 3.09Å; Q78-T82 PolarHBondContact O-OG1 3.39Å; Q78-T82 VanDerWaalsContact O-OG1 3.07Å |
| 79 | K | 59.2 | Low | 60 | Low | 150 Ų | 150 | 109.4 Ų | 109.4 | 65% | 0.652 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -62 | -40.4 | 173.5 | -74.1 | 174.9 | -177.1 | -179.6 | 0 | 112.4 | D75 S76 T82 V83 | D75-K79 VanDerWaalsContact O-CG 3.3Å; D75-K79 WeakPolarHBondContact O-CG 3.32Å; D75-K79 PolarHBondContact O-N 2.78Å; D75-K79 VanDerWaalsContact O-N 3.09Å; S76-K79 PolarHBondContact O-N 2.95Å; K79-T82 PolarHBondContact O-N 3.45Å; K79-V83 WeakPolarHBondContact O-CG2 3.25Å; K79-V83 PolarHBondContact O-N 3.09Å |
| 80 | L | 59.1 | Low | 60.5 | Low | 121 Ų | 121 | 106 Ų | 106 | 63% | 0.634 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.3 | -37 | 177.6 | -69.5 | 173.3 | 0 | 0 | 0 | 112.3 | S76 C77 Q78 V83 D84 | S76-L80 WeakPolarHBondContact O-CG 3.26Å; S76-L80 PolarHBondContact O-N 3.45Å; C77-L80 PolarHBondContact O-N 2.95Å; Q78-L80 VanDerWaalsContact C-N 3.35Å; Q78-L80 PolarHBondContact O-N 3.33Å; L80-V83 PolarHBondContact O-N 3.33Å; L80-D84 PolarHBondContact O-N 3.03Å |
| 81 | Q | 58.2 | Low | 60.4 | Low | 135 Ų | 135 | 106.7 Ų | 106.7 | 63% | 0.631 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.5 | -44.2 | 173.5 | -74.9 | 176.1 | -25.8 | 0 | 0 | 111.7 | C77 Q78 V83 D84 E85 | C77-Q81 WeakPolarHBondContact O-CG 3.41Å; C77-Q81 PolarHBondContact O-N 3.26Å; Q78-Q81 PolarHBondContact O-N 2.86Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.36Å; Q81-D84 PolarHBondContact O-N 3.38Å; Q81-E85 WeakPolarHBondContact O-CB 3.41Å; Q81-E85 PolarHBondContact O-N 2.64Å |
| 82 | T | 61.4 | Low | 60.3 | Low | 81 Ų | 81 | 103.8 Ų | 103.8 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 176.8 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | Q78 K79 E85 T86 | Q78-T82 PolarHBondContact O-N 3Å; Q78-T82 VanDerWaalsContact O-N 3.09Å; Q78-T82 PolarHBondContact O-OG1 3.39Å; Q78-T82 VanDerWaalsContact O-OG1 3.07Å; K79-T82 PolarHBondContact O-N 3.45Å; T82-E85 PolarHBondContact O-N 2.89Å; T82-T86 WeakPolarHBondContact O-CB 3.36Å; T82-T86 PolarHBondContact O-N 3.35Å; T82-T86 PolarHBondContact O-OG1 3.05Å |
| 83 | V | 60.9 | Low | 60.2 | Low | 95 Ų | 95 | 101.6 Ų | 101.6 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | K79 L80 Q81 E85 T86 A87 | K79-V83 WeakPolarHBondContact O-CG2 3.25Å; K79-V83 PolarHBondContact O-N 3.09Å; L80-V83 PolarHBondContact O-N 3.33Å; Q81-V83 VanDerWaalsContact C-N 3.34Å; Q81-V83 PolarHBondContact O-N 3.36Å; V83-E85 VanDerWaalsContact C-N 3.35Å; V83-T86 PolarHBondContact O-N 3.47Å; V83-A87 VanDerWaalsContact O-CB 3.32Å; V83-A87 WeakPolarHBondContact O-CB 3.38Å; V83-A87 PolarHBondContact O-N 2.78Å |
| 84 | D | 63.3 | Low | 59.8 | Low | 84 Ų | 84 | 107.1 Ų | 107.1 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -42.1 | 176.4 | -171 | 57.4 | 0 | 0 | 0 | 111.3 | L80 Q81 A87 R88 | L80-D84 PolarHBondContact O-N 3.03Å; Q81-D84 PolarHBondContact O-N 3.38Å; D84-A87 PolarHBondContact O-N 3.09Å; D84-R88 WeakPolarHBondContact O-CB 3.31Å; D84-R88 VanDerWaalsContact O-CG 3.26Å; D84-R88 WeakPolarHBondContact O-CG 3.48Å; D84-R88 PolarHBondContact O-N 2.87Å; D84-R88 IonicContact OD2-NH1 3.34Å; D84-R88 PolarHBondContact OD2-NH1 2.91Å |
| 85 | E | 65.1 | Low | 59.5 | Low | 120 Ų | 120 | 108.8 Ų | 108.8 | 56% | 0.561 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.1 | -41.9 | 177 | -173.5 | 156.9 | -162 | 0 | 0 | 112.1 | Q81 T82 V83 R88 Q89 | Q81-E85 WeakPolarHBondContact O-CB 3.41Å; Q81-E85 PolarHBondContact O-N 2.64Å; T82-E85 PolarHBondContact O-N 2.89Å; V83-E85 VanDerWaalsContact C-N 3.35Å; E85-R88 PolarHBondContact O-N 3.42Å; E85-Q89 WeakPolarHBondContact O-CB 3.3Å; E85-Q89 WeakPolarHBondContact O-CG 3.33Å; E85-Q89 PolarHBondContact O-N 3.07Å |
| 86 | T | 61.4 | Low | 59.2 | Low | 79 Ų | 79 | 114.3 Ų | 114.3 | 49% | 0.485 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.6 | -40.4 | 176.1 | -47 | 0 | 0 | 0 | 0 | 111.1 | T82 V83 Q89 A90 | T82-T86 WeakPolarHBondContact O-CB 3.36Å; T82-T86 PolarHBondContact O-N 3.35Å; T82-T86 PolarHBondContact O-OG1 3.05Å; V83-T86 PolarHBondContact O-N 3.47Å; T86-Q89 PolarHBondContact O-N 3.46Å; T86-A90 WeakPolarHBondContact O-CB 3.46Å; T86-A90 PolarHBondContact O-N 2.92Å |
| 87 | A | 65 | Low | 58.7 | Low | 44 Ų | 44 | 114.4 Ų | 114.4 | 36% | 0.364 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.9 | -40.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V83 D84 A90 L91 | V83-A87 VanDerWaalsContact O-CB 3.32Å; V83-A87 WeakPolarHBondContact O-CB 3.38Å; V83-A87 PolarHBondContact O-N 2.78Å; D84-A87 PolarHBondContact O-N 3.09Å; A87-A90 PolarHBondContact O-N 3.32Å; A87-L91 WeakPolarHBondContact O-CB 3.35Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.32Å; A87-L91 PolarHBondContact O-N 2.86Å |
| 88 | R | 60.1 | Low | 58.2 | Low | 174 Ų | 174 | 114.5 Ų | 114.5 | 66% | 0.657 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -66.7 | -39.8 | 175.1 | -73.6 | 173.7 | 104.2 | 141 | 1.8 | 112.4 | D84 E85 L91 G92 | D84-R88 WeakPolarHBondContact O-CB 3.31Å; D84-R88 VanDerWaalsContact O-CG 3.26Å; D84-R88 WeakPolarHBondContact O-CG 3.48Å; D84-R88 PolarHBondContact O-N 2.87Å; D84-R88 IonicContact OD2-NH1 3.34Å; D84-R88 PolarHBondContact OD2-NH1 2.91Å; E85-R88 PolarHBondContact O-N 3.42Å; R88-L91 PolarHBondContact O-N 3.36Å; R88-G92 WeakPolarHBondContact O-CA 3.38Å; R88-G92 PolarHBondContact O-N 3Å |
| 89 | Q | 61.3 | Low | 57.8 | Low | 125 Ų | 125 | 112.2 Ų | 112.2 | 58% | 0.584 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.1 | -41.3 | 174.1 | -74.2 | 179 | 4.7 | 0 | 0 | 111.5 | E85 T86 G92 S93 | E85-Q89 WeakPolarHBondContact O-CB 3.3Å; E85-Q89 WeakPolarHBondContact O-CG 3.33Å; E85-Q89 PolarHBondContact O-N 3.07Å; T86-Q89 PolarHBondContact O-N 3.46Å; Q89-G92 PolarHBondContact O-N 2.71Å; Q89-S93 WeakPolarHBondContact O-CB 3.38Å; Q89-S93 PolarHBondContact O-N 2.86Å; Q89-S93 PolarHBondContact O-OG 3.39Å |
| 90 | A | 62.7 | Low | 57.6 | Low | 53 Ų | 53 | 112.1 Ų | 112.1 | 44% | 0.438 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.2 | -36.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T86 A87 S93 | T86-A90 WeakPolarHBondContact O-CB 3.46Å; T86-A90 PolarHBondContact O-N 2.92Å; A87-A90 PolarHBondContact O-N 3.32Å; A90-S93 PolarHBondContact O-OG 3.41Å; A90-S93 VanDerWaalsContact O-OG 3.14Å |
| 91 | L | 58.8 | Low | 57.2 | Low | 120 Ų | 120 | 111.5 Ų | 111.5 | 63% | 0.628 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -78.1 | -34.4 | 175.9 | -73.4 | 166.5 | 0 | 0 | 0 | 112.7 | A87 R88 | A87-L91 WeakPolarHBondContact O-CB 3.35Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.32Å; A87-L91 PolarHBondContact O-N 2.86Å; R88-L91 PolarHBondContact O-N 3.36Å |
| 92 | G | 57.2 | Low | 57 | Low | 44 Ų | 44 | 117.4 Ų | 117.4 | 45% | 0.454 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -73.6 | -29.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | R88 Q89 R95 | R88-G92 WeakPolarHBondContact O-CA 3.38Å; R88-G92 PolarHBondContact O-N 3Å; Q89-G92 PolarHBondContact O-N 2.71Å; G92-R95 PolarHBondContact O-N 2.97Å |
| 93 | S | 54.7 | Low | 56.5 | Low | 81 Ų | 81 | 124.8 Ų | 124.8 | 57% | 0.566 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -75.5 | -23.5 | 175 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | Q89 A90 R95 | Q89-S93 WeakPolarHBondContact O-CB 3.38Å; Q89-S93 PolarHBondContact O-N 2.86Å; Q89-S93 PolarHBondContact O-OG 3.39Å; A90-S93 PolarHBondContact O-OG 3.41Å; A90-S93 VanDerWaalsContact O-OG 3.14Å; S93-R95 VanDerWaalsContact C-N 3.34Å |
| 94 | R | 52.5 | Low | 55.8 | Low | 208 Ų | 208 | 123.7 Ų | 123.7 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -76.4 | -16.8 | 172.8 | -72.4 | -172.2 | 178.9 | -131.3 | 0.9 | 114.2 | | |
| 95 | R | 53.3 | Low | 55.2 | Low | 224 Ų | 224 | 125.2 Ų | 125.2 | 85% | 0.845 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -91 | -1.8 | -179 | -69.1 | -170.6 | 174.5 | -164.7 | -0.9 | 114.7 | G92 S93 | G92-R95 PolarHBondContact O-N 2.97Å; S93-R95 VanDerWaalsContact C-N 3.34Å |
| 96 | K | 52.4 | Low | 54.4 | Low | 204 Ų | 204 | 131.6 Ų | 131.6 | 89% | 0.887 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -100.1 | 8.7 | 174.2 | -90.2 | -167.5 | 175.5 | -175.6 | 0 | 115.3 | | |
| 97 | G | 48.7 | Very low | 53.7 | Low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -139.1 | 1.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | G99 | G97-G99 VanDerWaalsContact C-N 3.26Å; G97-G99 PolarHBondContact O-N 3.46Å |
| 98 | A | 50 | Low | 53 | Low | 70 Ų | 70 | 134.9 Ų | 134.9 | 58% | 0.579 | 73% | 0.728 | S | S | * | * | | | trans | -81.3 | 76.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110 | L100 | A98-L100 PolarHBondContact O-N 3.14Š|
| 99 | G | 47.6 | Very low | 52.1 | Low | 75 Ų | 75 | 130.4 Ų | 130.4 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | | | trans | -59.9 | 88.7 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | G97 | G97-G99 VanDerWaalsContact C-N 3.26Å; G97-G99 PolarHBondContact O-N 3.46Å |
| 100 | L | 56.8 | Low | 51.5 | Low | 149 Ų | 149 | 129 Ų | 129 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | | | trans | -60.1 | 141.3 | 171.1 | -75.8 | 157.6 | 0 | 0 | 0 | 108.7 | A98 R102 | A98-L100 PolarHBondContact O-N 3.14Å; L100-R102 PolarHBondContact O-N 3.46Å |
| 101 | P | 50.4 | Low | 50.8 | Low | 108 Ų | 108 | 138.4 Ų | 138.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | trans | -65.3 | 127.8 | -160.5 | 26.7 | -34.1 | 0 | 0 | 0 | 110.5 | R103 | P101-R103 PolarHBondContact O-N 2.76Š|
| 102 | R | 54.3 | Low | 50.4 | Low | 258 Ų | 258 | 139.3 Ų | 139.3 | 97% | 0.974 | 80% | 0.796 | S | S | * | * | | | trans | -68.3 | 79.3 | 163.3 | -84.9 | -170.1 | 169.4 | 179.7 | -2.5 | 108.7 | L100 G104 | L100-R102 PolarHBondContact O-N 3.46Å; R102-G104 PolarHBondContact O-N 3.32Å |
| 103 | R | 49.6 | Very low | 50 | Low | 236 Ų | 236 | 144.3 Ų | 144.3 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | | | trans | -70.5 | 116.9 | 157.5 | -112 | -176.1 | 176.4 | -104.2 | 0.8 | 106.7 | P101 | P101-R103 PolarHBondContact O-N 2.76Š|
| 104 | G | 45.9 | Very low | 49.7 | Very low | 72 Ų | 72 | 147.8 Ų | 147.8 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | | | trans | 115.8 | 95.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 115 | R102 | R102-G104 PolarHBondContact O-N 3.32Š|
| 105 | S | 51.7 | Low | 49.6 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | | -174 | 111.9 | 124.4 | 47.9 | 0 | 0 | 0 | 0 | 109.2 | G107 | S105-G107 PolarHBondContact O-N 3.48Š|
| 106 | R | 47.5 | Very low | 49.3 | Very low | 254 Ų | 254 | 139.3 Ų | 139.3 | 96% | 0.958 | 83% | 0.83 | S | S | * | * | | | trans | -51.3 | 125.8 | 160.2 | -86.7 | 171.3 | 172 | 175 | -2.7 | 109.9 | | |
| 107 | G | 47.9 | Very low | 49.1 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | | | trans | 55.8 | -180 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | S105 | S105-G107 PolarHBondContact O-N 3.48Š|
| 108 | P | 49.4 | Very low | 49.2 | Very low | 122 Ų | 122 | 139.7 Ų | 139.7 | 79% | 0.792 | 83% | 0.834 | S | S | * | * | | | cis | -120.7 | 162.6 | 10.1 | 36.7 | -21.1 | 0 | 0 | 0 | 113.3 | | |
| 109 | G | 40.9 | Very low | 49.1 | Very low | 80 Ų | 80 | 145.1 Ų | 145.1 | 83% | 0.825 | 85% | 0.854 | S | S | * | * | | | trans | -59.9 | 143.5 | 157 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 110 | A | 49.8 | Very low | 49.2 | Very low | 95 Ų | 95 | 150.9 Ų | 150.9 | 79% | 0.785 | 86% | 0.86 | S | S | * | * | | | trans | -150.5 | 114.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 111 | D | 46.4 | Very low | 48.5 | Very low | 250 Ų | 250 | 151.1 Ų | 151.1 | 100% | 1.337 | 87% | 0.868 | S | S | * | * | | | trans | 73.6 | 0 | 177.5 | -116.3 | 27.8 | 0 | 0 | 0 | 119.4 | | |