| 1 | M | 37.6 | Very low | 45.4 | Very low | 249 Ų | 249 | 156.9 Ų | 156.9 | 100% | 1.227 | 85% | 0.847 | S | S | * | * | | | | 0 | 123.1 | 0 | -151 | 151.3 | 154.9 | 0 | 0 | 106.8 | | |
| 2 | V | 39.3 | Very low | 45.8 | Very low | 137 Ų | 137 | 159.6 Ų | 159.6 | 83% | 0.83 | 84% | 0.838 | S | S | * | * | | | trans | -96.8 | 158.2 | -166.7 | 170 | 0 | 0 | 0 | 0 | 108.3 | | |
| 3 | P | 53.4 | Low | 46 | Very low | 99 Ų | 99 | 158.8 Ų | 158.8 | 64% | 0.643 | 83% | 0.834 | S | S | * | * | | | cis | -144 | 178.1 | -37.2 | 42.2 | -23 | 0 | 0 | 0 | 115.6 | | |
| 4 | E | 39.5 | Very low | 46.5 | Very low | 179 Ų | 179 | 156.8 Ų | 156.8 | 84% | 0.836 | 83% | 0.832 | S | S | * | * | | | trans | 30.9 | 112.7 | 138.1 | -67.6 | 178.5 | 120.3 | 0 | 0 | 123.7 | | |
| 5 | A | 45 | Very low | 46.9 | Very low | 88 Ų | 88 | 155.1 Ų | 155.1 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | | | | 40.1 | 107.5 | 111.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | R7 | A5-R7 PolarHBondContact O-N 3.34Š|
| 6 | W | 39 | Very low | 46.9 | Very low | 262 Ų | 262 | 153.4 Ų | 153.4 | 99% | 0.992 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 117.6 | 165.6 | -68.2 | 73.6 | 0 | 0 | 0 | 111.5 | | |
| 7 | R | 49.8 | Very low | 46.8 | Very low | 242 Ų | 242 | 151.3 Ų | 151.3 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 125.4 | 165.2 | -81.5 | -170.7 | 160.6 | -130.7 | -2.2 | 110.3 | A5 | A5-R7 PolarHBondContact O-N 3.34Š|
| 8 | S | 50.2 | Low | 47.1 | Very low | 125 Ų | 125 | 154.6 Ų | 154.6 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 128.4 | 169.1 | 35.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 9 | G | 50 | Low | 47.1 | Very low | 71 Ų | 71 | 159 Ų | 159 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | | | trans | -123 | 111.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 10 | L | 48.6 | Very low | 47.2 | Very low | 142 Ų | 142 | 157.3 Ų | 157.3 | 74% | 0.743 | 83% | 0.826 | S | S | * | * | | | trans | -56.6 | 128.8 | 176.8 | -77.7 | 144.1 | 0 | 0 | 0 | 111.4 | Y12 | L10-Y12 HydrophobicContact CB-CD2 4.03Å; L10-Y12 HydrophobicContact CB-CE2 3.64Å; L10-Y12 HydrophobicContact CD1-CE2 4.3Å; L10-Y12 HydrophobicContact CG-CE2 4.46Å; L10-Y12 PolarHBondContact O-N 3.43Å |
| 11 | V | 47.3 | Very low | 47.2 | Very low | 132 Ų | 132 | 156.9 Ų | 156.9 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | | | trans | -79.7 | 108.7 | 169.6 | 178.4 | 0 | 0 | 0 | 0 | 108 | | |
| 12 | Y | 49.7 | Very low | 47.9 | Very low | 189 Ų | 189 | 150.6 Ų | 150.6 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | | | trans | -96.1 | 119.4 | 169.8 | -78.2 | -87.2 | 0 | 0 | 0 | 109.8 | L10 | L10-Y12 HydrophobicContact CB-CD2 4.03Å; L10-Y12 HydrophobicContact CB-CE2 3.64Å; L10-Y12 HydrophobicContact CD1-CE2 4.3Å; L10-Y12 HydrophobicContact CG-CE2 4.46Å; L10-Y12 PolarHBondContact O-N 3.43Å |
| 13 | L | 48.7 | Very low | 48.5 | Very low | 149 Ų | 149 | 152.2 Ų | 152.2 | 78% | 0.78 | 81% | 0.806 | S | S | * | * | | | trans | -71.4 | 133.7 | 164.9 | -81.4 | 75.3 | 0 | 0 | 0 | 108.8 | | |
| 14 | T | 52.3 | Low | 48.4 | Very low | 131 Ų | 131 | 155.4 Ų | 155.4 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | | | trans | -139 | 102.2 | 159.6 | -49 | 0 | 0 | 0 | 0 | 109.2 | | |
| 15 | T | 53.1 | Low | 48.4 | Very low | 132 Ų | 132 | 156.8 Ų | 156.8 | 81% | 0.81 | 82% | 0.82 | S | S | * | * | | | trans | -88.9 | 102.3 | 164.1 | 51.3 | 0 | 0 | 0 | 0 | 107.8 | | |
| 16 | D | 46.7 | Very low | 48.1 | Very low | 128 Ų | 128 | 162.1 Ų | 162.1 | 68% | 0.684 | 83% | 0.826 | S | S | * | * | | | trans | 178 | 125.2 | 145.7 | -160.9 | -101.3 | 0 | 0 | 0 | 108.7 | | |
| 17 | S | 44.9 | Very low | 48.7 | Very low | 117 Ų | 117 | 155.5 Ų | 155.5 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | | | trans | -161.9 | 79.5 | 149 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | | |
| 18 | R | 53.6 | Low | 48.2 | Very low | 211 Ų | 211 | 147.7 Ų | 147.7 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | | | trans | -77.2 | 140.3 | 159.2 | -64.8 | -174.7 | -174.2 | -145.5 | 2.1 | 108.4 | | |
| 19 | R | 46.9 | Very low | 47.9 | Very low | 238 Ų | 238 | 146.7 Ų | 146.7 | 90% | 0.898 | 81% | 0.812 | S | S | * | * | | | trans | 89.9 | 114.2 | 164 | -52.9 | 178.8 | -178.3 | -143.2 | 0.2 | 117.5 | | |
| 20 | S | 48.8 | Very low | 47.6 | Very low | 124 Ų | 124 | 148 Ų | 148 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | | | trans | -161.5 | 128.9 | 131.6 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | | |
| 21 | D | 46.7 | Very low | 47.3 | Very low | 149 Ų | 149 | 146.7 Ų | 146.7 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -62.1 | 161.7 | -170.1 | -81.7 | -57.7 | 0 | 0 | 0 | 117.7 | | |
| 22 | P | 52.7 | Low | 47.3 | Very low | 118 Ų | 118 | 145.7 Ų | 145.7 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | | | trans | -81 | 118.3 | 173.7 | 32.7 | -31 | 0 | 0 | 0 | 111.5 | | |
| 23 | L | 51 | Low | 47.3 | Very low | 171 Ų | 171 | 145.3 Ų | 145.3 | 90% | 0.895 | 82% | 0.824 | S | S | * | * | | | trans | -112.6 | 99.6 | 169.5 | -70.5 | 176.7 | 0 | 0 | 0 | 111 | | |
| 24 | L | 51.1 | Low | 47.3 | Very low | 166 Ų | 166 | 143 Ų | 143 | 87% | 0.869 | 83% | 0.827 | S | S | * | * | | | trans | -66.2 | 123 | 163.9 | -179.8 | 76.6 | 0 | 0 | 0 | 109.7 | | |
| 25 | K | 41.1 | Very low | 47.3 | Very low | 208 Ų | 208 | 142 Ų | 142 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | | | trans | -172.6 | 117.8 | 146.3 | -100.4 | 158.9 | -170.2 | -170.2 | 0 | 111.1 | | |
| 26 | K | 39.1 | Very low | 47.2 | Very low | 200 Ų | 200 | 147 Ų | 147 | 87% | 0.87 | 83% | 0.829 | S | S | * | * | | | trans | -113.5 | 169.7 | 162.2 | -130.8 | 178.6 | 172.6 | 172.1 | 0 | 106.1 | | |
| 27 | P | 50 | Low | 47.5 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 79% | 0.792 | 84% | 0.838 | S | S | * | * | | | cis | -139.3 | 176.7 | 0.6 | 39.9 | -20.6 | 0 | 0 | 0 | 115.6 | | |
| 28 | G | 39.5 | Very low | 47.9 | Very low | 79 Ų | 79 | 150.2 Ų | 150.2 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | | | trans | 134.5 | 87.9 | 145.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 29 | A | 43.8 | Very low | 47.8 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | | | trans | -179.6 | 121.5 | 134.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 30 | A | 45 | Very low | 47.9 | Very low | 99 Ų | 99 | 143.1 Ų | 143.1 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | | | trans | -72.5 | 136.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 31 | S | 42.2 | Very low | 48.3 | Very low | 113 Ų | 113 | 147.8 Ų | 147.8 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | | | | 163.2 | 173.8 | 83.6 | -120.9 | 0 | 0 | 0 | 0 | 107.4 | | |
| 32 | P | 46.9 | Very low | 48.8 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | S | Bend | cis | -134.3 | 92.1 | -14.9 | 33.6 | -11.6 | 0 | 0 | 0 | 110.4 | | |
| 33 | L | 49 | Very low | 48.9 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 94% | 0.942 | 82% | 0.821 | S | S | * | * | | | trans | -147.2 | 27 | 169.7 | -127.7 | 123.8 | 0 | 0 | 0 | 113.1 | | |
| 34 | A | 50 | Low | 49 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | -110.9 | 57.2 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 35 | S | 50.6 | Low | 49.4 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -99.6 | 115.5 | 154 | -175.8 | 0 | 0 | 0 | 0 | 105.9 | | |
| 36 | R | 52.5 | Low | 50.2 | Low | 238 Ų | 238 | 133.2 Ų | 133.2 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 123.5 | 20.9 | 177.8 | -62.6 | -91.4 | 164.1 | -155.5 | -5.2 | 116.2 | | |
| 37 | Q | 51.9 | Low | 50.9 | Low | 188 Ų | 188 | 130.9 Ų | 130.9 | 88% | 0.879 | 77% | 0.771 | S | S | * | * | | | trans | -139.4 | 67.6 | 161 | -73.2 | -171.3 | -17 | 0 | 0 | 111 | | |
| 38 | N | 53.7 | Low | 50.9 | Low | 125 Ų | 125 | 132 Ų | 132 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | | | trans | -152.7 | 86.7 | 163.4 | -160.2 | 7 | 0 | 0 | 0 | 112.3 | | |
| 39 | T | 50.8 | Low | 51.6 | Low | 141 Ų | 141 | 138 Ų | 138 | 87% | 0.865 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -145.2 | 18.9 | 155.1 | -28.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 40 | L | 50.3 | Low | 52.1 | Low | 159 Ų | 159 | 140.8 Ų | 140.8 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -113.1 | 35.2 | 173.9 | -70.4 | 178.7 | 0 | 0 | 0 | 111.8 | | |
| 41 | R | 57.3 | Low | 52.6 | Low | 221 Ų | 221 | 140.9 Ų | 140.9 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -138.8 | 38.4 | -178.3 | -72.9 | -68 | 150.4 | 108.1 | -4.3 | 114.5 | | |
| 42 | S | 57.4 | Low | 53.1 | Low | 118 Ų | 118 | 141.7 Ų | 141.7 | 83% | 0.825 | 74% | 0.739 | S | S | * | * | | | trans | -162.4 | 73 | 155.6 | -166 | 0 | 0 | 0 | 0 | 110.8 | | |
| 43 | C | 52.9 | Low | 53 | Low | 82 Ų | 82 | 139 Ų | 139 | 55% | 0.554 | 73% | 0.731 | S | S | * | * | | | trans | -100.8 | 117.2 | 161.6 | -70.9 | 0 | 0 | 0 | 0 | 107.2 | Y48 | C43-Y48 HydrophobicContact CB-CE2 3.73Š|
| 44 | D | 54 | Low | 52.9 | Low | 98 Ų | 98 | 134.4 Ų | 134.4 | 52% | 0.524 | 72% | 0.719 | S | S | . | * | | | trans | -48.7 | 134.3 | 177.9 | -169.3 | -40.1 | 0 | 0 | 0 | 111.4 | V46 F47 | D44-V46 PolarHBondContact O-N 3.28Å; D44-V46 WeakPolarHBondContact OD1-CB 3.49Å; D44-V46 WeakPolarHBondContact OD1-CG2 3.46Å; D44-V46 PolarHBondContact OD1-N 3.24Å; D44-F47 PolarHBondContact O-N 3.06Å |
| 45 | P | 59.8 | Low | 53 | Low | 106 Ų | 106 | 138.3 Ų | 138.3 | 69% | 0.688 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -53.8 | -20.8 | 177.6 | -16.7 | 20.1 | 0 | 0 | 0 | 114.7 | | |
| 46 | V | 57.3 | Low | 53.1 | Low | 102 Ų | 102 | 138.6 Ų | 138.6 | 62% | 0.618 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -70.9 | -34.7 | 176.9 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | D44 Y48 R49 Q50 | D44-V46 PolarHBondContact O-N 3.28Å; D44-V46 WeakPolarHBondContact OD1-CB 3.49Å; D44-V46 WeakPolarHBondContact OD1-CG2 3.46Å; D44-V46 PolarHBondContact OD1-N 3.24Å; V46-Y48 VanDerWaalsContact C-N 3.35Å; V46-Y48 PolarHBondContact O-N 3.42Å; V46-R49 PolarHBondContact O-N 3.44Å; V46-Q50 PolarHBondContact O-N 2.87Å |
| 47 | F | 54.3 | Low | 53.2 | Low | 151 Ų | 151 | 130.6 Ų | 130.6 | 66% | 0.662 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -68.9 | -34.1 | -177 | -139.3 | -90.2 | 0 | 0 | 0 | 112.2 | D44 Q50 V51 | D44-F47 PolarHBondContact O-N 3.06Å; F47-Q50 PolarHBondContact O-N 3.14Å; F47-V51 WeakPolarHBondContact O-CG2 3.17Å; F47-V51 PolarHBondContact O-N 3.3Å |
| 48 | Y | 50.2 | Low | 53.4 | Low | 145 Ų | 145 | 125.8 Ų | 125.8 | 57% | 0.569 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -70.1 | -33.7 | 175.9 | -78.3 | -77.6 | 0 | 0 | 0 | 112.9 | C43 V46 Q50 V51 L52 | C43-Y48 HydrophobicContact CB-CE2 3.73Å; V46-Y48 VanDerWaalsContact C-N 3.35Å; V46-Y48 PolarHBondContact O-N 3.42Å; Y48-Q50 VanDerWaalsContact C-N 3.34Å; Y48-V51 PolarHBondContact O-N 3.39Å; Y48-L52 WeakPolarHBondContact O-CB 3.46Å; Y48-L52 WeakPolarHBondContact O-CG 3.45Å; Y48-L52 PolarHBondContact O-N 3Å |
| 49 | R | 54.3 | Low | 53.2 | Low | 207 Ų | 207 | 126.5 Ų | 126.5 | 78% | 0.781 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.5 | -29.7 | 175.9 | -76.6 | -149.9 | 72.8 | 170.8 | 2.7 | 113.1 | V46 G53 | V46-R49 PolarHBondContact O-N 3.44Å; R49-G53 VanDerWaalsContact O-CA 3.26Å; R49-G53 WeakPolarHBondContact O-CA 3.39Å; R49-G53 PolarHBondContact O-N 3.19Å |
| 50 | Q | 53.9 | Low | 53.5 | Low | 161 Ų | 161 | 123.2 Ų | 123.2 | 75% | 0.752 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -71.2 | -38.1 | 176.6 | -160.5 | 76 | 17.9 | 0 | 0 | 111.7 | V46 F47 Y48 | V46-Q50 PolarHBondContact O-N 2.87Å; F47-Q50 PolarHBondContact O-N 3.14Å; Y48-Q50 VanDerWaalsContact C-N 3.34Å |
| 51 | V | 54.5 | Low | 54 | Low | 101 Ų | 101 | 123.8 Ų | 123.8 | 61% | 0.612 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -77.3 | -35.3 | 179.9 | 176.3 | 0 | 0 | 0 | 0 | 112 | F47 Y48 | F47-V51 WeakPolarHBondContact O-CG2 3.17Å; F47-V51 PolarHBondContact O-N 3.3Å; Y48-V51 PolarHBondContact O-N 3.39Å |
| 52 | L | 53.6 | Low | 54 | Low | 131 Ų | 131 | 122.1 Ų | 122.1 | 69% | 0.686 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -89.6 | -7.4 | 176.2 | -62.6 | 172.3 | 0 | 0 | 0 | 113.4 | Y48 A54 | Y48-L52 WeakPolarHBondContact O-CB 3.46Å; Y48-L52 WeakPolarHBondContact O-CG 3.45Å; Y48-L52 PolarHBondContact O-N 3Å; L52-A54 PolarHBondContact O-N 3.3Å |
| 53 | G | 45.4 | Very low | 54.3 | Low | 55 Ų | 55 | 120.1 Ų | 120.1 | 57% | 0.567 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 1.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | R49 E55 | R49-G53 VanDerWaalsContact O-CA 3.26Å; R49-G53 WeakPolarHBondContact O-CA 3.39Å; R49-G53 PolarHBondContact O-N 3.19Å; G53-E55 PolarHBondContact O-N 3.01Å |
| 54 | A | 47.2 | Very low | 55.1 | Low | 84 Ų | 84 | 121.4 Ų | 121.4 | 69% | 0.694 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | 17.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L52 S56 | L52-A54 PolarHBondContact O-N 3.3Å; A54-S56 VanDerWaalsContact C-N 3.29Å; A54-S56 PolarHBondContact O-N 3.01Å |
| 55 | E | 51.1 | Low | 55.8 | Low | 183 Ų | 183 | 121.2 Ų | 121.2 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 32.2 | 178 | -140.6 | -159.4 | 131.6 | 0 | 0 | 113.9 | G53 | G53-E55 PolarHBondContact O-N 3.01Š|
| 56 | S | 52.6 | Low | 55.9 | Low | 114 Ų | 114 | 119.3 Ų | 119.3 | 80% | 0.797 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118 | 11.8 | 169.2 | 84.7 | 0 | 0 | 0 | 0 | 114.5 | A54 | A54-S56 VanDerWaalsContact C-N 3.29Å; A54-S56 PolarHBondContact O-N 3.01Å |
| 57 | A | 54.9 | Low | 55.9 | Low | 71 Ų | 71 | 119.3 Ų | 119.3 | 59% | 0.587 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -92.3 | 126 | 162.3 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 58 | P | 55.5 | Low | 56.5 | Low | 86 Ų | 86 | 118.6 Ų | 118.6 | 56% | 0.558 | 69% | 0.688 | S | S | * | * | | | trans | -54.3 | 140.6 | 175.9 | 22.4 | -31.7 | 0 | 0 | 0 | 109.6 | G60 | P58-G60 VanDerWaalsContact C-N 3.35Å; P58-G60 PolarHBondContact O-N 3.32Å |
| 59 | P | 49.2 | Very low | 57 | Low | 141 Ų | 141 | 120.6 Ų | 120.6 | 92% | 0.916 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 95.2 | -179.5 | 26.9 | -33.2 | 0 | 0 | 0 | 108.6 | | |
| 60 | G | 58.3 | Low | 57.4 | Low | 72 Ų | 72 | 120 Ų | 120 | 74% | 0.742 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 166.2 | -14.9 | -176 | 0 | 0 | 0 | 0 | 0 | 116.7 | P58 Q62 | P58-G60 VanDerWaalsContact C-N 3.35Å; P58-G60 PolarHBondContact O-N 3.32Å; G60-Q62 VanDerWaalsContact C-N 3.3Å; G60-Q62 PolarHBondContact O-N 2.96Å |
| 61 | Q | 59.6 | Low | 57.1 | Low | 171 Ų | 171 | 119.6 Ų | 119.6 | 80% | 0.799 | 69% | 0.688 | S | S | * | * | | | trans | -93.2 | 65.4 | 175.6 | -64.8 | -167.8 | 32.4 | 0 | 0 | 111.2 | A63 | Q61-A63 PolarHBondContact O-N 3.1Š|
| 62 | Q | 58.8 | Low | 57.2 | Low | 185 Ų | 185 | 118 Ų | 118 | 86% | 0.864 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 126.2 | 155.8 | -167.8 | 173.7 | 8.5 | 0 | 0 | 106.6 | G60 | G60-Q62 VanDerWaalsContact C-N 3.3Å; G60-Q62 PolarHBondContact O-N 2.96Å |
| 63 | A | 63.2 | Low | 57.3 | Low | 77 Ų | 77 | 121 Ų | 121 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 139.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q61 | Q61-A63 PolarHBondContact O-N 3.1Š|
| 64 | P | 69.9 | Low | 57.6 | Low | 109 Ų | 109 | 123.3 Ų | 123.3 | 71% | 0.708 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 137.6 | 177.9 | 21.4 | -31.1 | 0 | 0 | 0 | 108.5 | N66 | P64-N66 PolarHBondContact O-N 3.46Š|
| 65 | P | 67.8 | Low | 57.8 | Low | 93 Ų | 93 | 125.1 Ų | 125.1 | 60% | 0.604 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 122.8 | 178.3 | 18.9 | -29.9 | 0 | 0 | 0 | 108.1 | T67 W69 | P65-T67 PolarHBondContact O-N 2.96Å; P65-T67 PolarHBondContact O-OG1 2.98Å; P65-W69 HydrophobicContact CB-CH2 3.82Å; P65-W69 HydrophobicContact CB-CZ3 3.6Å |
| 66 | N | 62.3 | Low | 57.7 | Low | 67 Ų | 67 | 126 Ų | 126 | 36% | 0.358 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -49.1 | 120 | -179.3 | 149.2 | -39.3 | 0 | 0 | 0 | 107.6 | P64 D68 W69 | P64-N66 PolarHBondContact O-N 3.46Å; N66-D68 PolarHBondContact ND2-OD2 3.01Å; N66-D68 PolarHBondContact O-N 2.98Å; N66-D68 VanDerWaalsContact OD1-CA 3.3Å; N66-D68 WeakPolarHBondContact OD1-CA 2.89Å; N66-D68 WeakPolarHBondContact OD1-CB 3.1Å; N66-D68 PolarHBondContact OD1-N 2.91Å; N66-D68 PolarHBondContact OD1-OD2 2.97Å; N66-W69 HydrophobicContact CB-CD2 4.34Å; N66-W69 HydrophobicContact CB-CH2 3.99Å; N66-W69 HydrophobicContact CB-CZ2 3.36Å; N66-W69 VanDerWaalsContact CG-NE1 3.33Å; N66-W69 WeakPolarHBondContact O-CZ3 3.27Å; N66-W69 VanDerWaalsContact OD1-CD1 3.25Å; N66-W69 PolarHBondContact OD1-N 2.89Å; N66-W69 PolarHBondContact OD1-NE1 2.74Å; N66-W69 VanDerWaalsContact OD1-NE1 3.08Å |
| 67 | T | 56.5 | Low | 57.5 | Low | 102 Ų | 102 | 125 Ų | 125 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -79.4 | -5.5 | -171.6 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | P65 W69 R70 | P65-T67 PolarHBondContact O-N 2.96Å; P65-T67 PolarHBondContact O-OG1 2.98Å; T67-W69 PolarHBondContact O-N 2.58Å; T67-R70 PolarHBondContact O-N 2.98Å |
| 68 | D | 67.4 | Low | 57.2 | Low | 136 Ų | 136 | 124.8 Ų | 124.8 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -82.6 | -9.7 | -172.7 | -45 | -48.3 | 0 | 0 | 0 | 113.1 | N66 R70 | N66-D68 PolarHBondContact ND2-OD2 3.01Å; N66-D68 PolarHBondContact O-N 2.98Å; N66-D68 VanDerWaalsContact OD1-CA 3.3Å; N66-D68 WeakPolarHBondContact OD1-CA 2.89Å; N66-D68 WeakPolarHBondContact OD1-CB 3.1Å; N66-D68 PolarHBondContact OD1-N 2.91Å; N66-D68 PolarHBondContact OD1-OD2 2.97Å; D68-R70 PolarHBondContact O-N 2.91Å |
| 69 | W | 61.8 | Low | 56.8 | Low | 187 Ų | 187 | 126.2 Ų | 126.2 | 71% | 0.708 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -78.4 | -7.5 | 171.4 | -33 | -57 | 0 | 0 | 0 | 113.3 | P65 N66 T67 | P65-W69 HydrophobicContact CB-CH2 3.82Å; P65-W69 HydrophobicContact CB-CZ3 3.6Å; N66-W69 HydrophobicContact CB-CD2 4.34Å; N66-W69 HydrophobicContact CB-CH2 3.99Å; N66-W69 HydrophobicContact CB-CZ2 3.36Å; N66-W69 VanDerWaalsContact CG-NE1 3.33Å; N66-W69 WeakPolarHBondContact O-CZ3 3.27Å; N66-W69 VanDerWaalsContact OD1-CD1 3.25Å; N66-W69 PolarHBondContact OD1-N 2.89Å; N66-W69 PolarHBondContact OD1-NE1 2.74Å; N66-W69 VanDerWaalsContact OD1-NE1 3.08Å; T67-W69 PolarHBondContact O-N 2.58Å |
| 70 | R | 61.9 | Low | 56.6 | Low | 195 Ų | 195 | 126 Ų | 126 | 74% | 0.736 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -79.9 | 129.1 | 177.4 | -62.6 | -173.5 | 72.6 | 162.4 | 1.4 | 108.5 | T67 D68 S72 | T67-R70 PolarHBondContact O-N 2.98Å; D68-R70 PolarHBondContact O-N 2.91Å; R70-S72 PolarHBondContact O-N 3.15Å |
| 71 | F | 47.4 | Very low | 55.9 | Low | 152 Ų | 152 | 125.5 Ų | 125.5 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | | | trans | -57.3 | 108.5 | 162.3 | -165.1 | -92.6 | 0 | 0 | 0 | 108 | Q73 Q75 P77 | F71-Q73 PolarHBondContact O-N 3.03Å; F71-Q75 VanDerWaalsContact CE1-O 3.3Å; F71-Q75 WeakPolarHBondContact CE1-O 3.28Å; F71-P77 HydrophobicContact CZ-CG 3.84Å |
| 72 | S | 56.9 | Low | 55.5 | Low | 68 Ų | 68 | 122.2 Ų | 122.2 | 48% | 0.476 | 69% | 0.691 | S | S | . | * | | | trans | -57.8 | 109.4 | 177.9 | -76.2 | 0 | 0 | 0 | 0 | 108.4 | R70 A74 Q75 | R70-S72 PolarHBondContact O-N 3.15Å; S72-A74 PolarHBondContact O-N 3.5Å; S72-Q75 CarbonylContact O-C 3.56Å; S72-Q75 WeakPolarHBondContact O-CA 3.43Å; S72-Q75 PolarHBondContact O-N 3.37Å |
| 73 | Q | 56.1 | Low | 54.7 | Low | 192 Ų | 192 | 122.2 Ų | 122.2 | 90% | 0.897 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -11.3 | -177.6 | -144.7 | 176.1 | 27.5 | 0 | 0 | 112.4 | F71 | F71-Q73 PolarHBondContact O-N 3.03Š|
| 74 | A | 51.8 | Low | 53.6 | Low | 104 Ų | 104 | 124.5 Ų | 124.5 | 86% | 0.86 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -16.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114 | S72 R76 | S72-A74 PolarHBondContact O-N 3.5Å; A74-R76 PolarHBondContact O-N 3.35Å |
| 75 | Q | 51 | Low | 52.8 | Low | 123 Ų | 123 | 123.3 Ų | 123.3 | 58% | 0.575 | 70% | 0.699 | S | S | * | * | | | trans | -98.8 | 72.9 | 167.4 | -80 | 178.2 | -32.6 | 0 | 0 | 108.5 | F71 S72 P77 | F71-Q75 VanDerWaalsContact CE1-O 3.3Å; F71-Q75 WeakPolarHBondContact CE1-O 3.28Å; S72-Q75 CarbonylContact O-C 3.56Å; S72-Q75 WeakPolarHBondContact O-CA 3.43Å; S72-Q75 PolarHBondContact O-N 3.37Å; Q75-P77 WeakPolarHBondContact O-CD 3.39Å |
| 76 | R | 49 | Very low | 51.9 | Low | 201 Ų | 201 | 125.1 Ų | 125.1 | 76% | 0.758 | 70% | 0.704 | S | S | * | * | | | trans | -58.9 | 125.7 | 154.2 | -159.3 | 173.5 | -166.4 | -89.9 | 2.2 | 105 | A74 G78 | A74-R76 PolarHBondContact O-N 3.35Å; R76-G78 VanDerWaalsContact C-N 3.35Å; R76-G78 PolarHBondContact O-N 3.25Å |
| 77 | P | 48.7 | Very low | 51.5 | Low | 93 Ų | 93 | 129.9 Ų | 129.9 | 60% | 0.604 | 73% | 0.73 | S | S | * | * | | | trans | -52 | 109.7 | 170.4 | -23.3 | 33.7 | 0 | 0 | 0 | 105.7 | F71 Q75 T79 | F71-P77 HydrophobicContact CZ-CG 3.84Å; Q75-P77 WeakPolarHBondContact O-CD 3.39Å; P77-T79 PolarHBondContact O-N 2.8Å |
| 78 | G | 47.9 | Very low | 51.3 | Low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 74% | 0.736 | S | S | * | * | | | trans | -52.5 | 135.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | R76 S80 | R76-G78 VanDerWaalsContact C-N 3.35Å; R76-G78 PolarHBondContact O-N 3.25Å; G78-S80 PolarHBondContact O-N 3.19Å |
| 79 | T | 46.5 | Very low | 50.6 | Low | 115 Ų | 115 | 127.4 Ų | 127.4 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | | | trans | -46.2 | 117.7 | 172.2 | 47.9 | 0 | 0 | 0 | 0 | 107.9 | P77 G81 | P77-T79 PolarHBondContact O-N 2.8Å; T79-G81 PolarHBondContact O-N 3.46Å |
| 80 | S | 45.4 | Very low | 50.3 | Low | 137 Ų | 137 | 124.2 Ų | 124.2 | 96% | 0.958 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -51.7 | 101.9 | 174.9 | 179.3 | 0 | 0 | 0 | 0 | 108.5 | G78 | G78-S80 PolarHBondContact O-N 3.19Š|
| 81 | G | 44.4 | Very low | 49.8 | Very low | 62 Ų | 62 | 125.7 Ų | 125.7 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 176 | 90.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | T79 | T79-G81 PolarHBondContact O-N 3.46Š|
| 82 | S | 50.3 | Low | 50.2 | Low | 101 Ų | 101 | 123.9 Ų | 123.9 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | | | trans | 68.1 | 68.2 | 168.7 | -161.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 83 | Q | 41.9 | Very low | 50.1 | Low | 185 Ų | 185 | 126 Ų | 126 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | | | trans | -90.9 | 106.6 | 152.8 | -162.1 | 166.9 | -19.9 | 0 | 0 | 107 | | |
| 84 | N | 41.2 | Very low | 50.8 | Low | 126 Ų | 126 | 121.7 Ų | 121.7 | 67% | 0.674 | 73% | 0.731 | S | S | * | * | | | trans | -59.4 | 145.8 | 175 | -68.3 | -54.2 | 0 | 0 | 0 | 109.2 | D86 | N84-D86 PolarHBondContact O-N 3.22Š|
| 85 | G | 52.2 | Low | 51.6 | Low | 83 Ų | 83 | 123.6 Ų | 123.6 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | | | trans | -69.2 | 112.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 86 | D | 48.9 | Very low | 52.5 | Low | 132 Ų | 132 | 125.6 Ų | 125.6 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | | | trans | -148.6 | 121.5 | 149.1 | 55 | -57.6 | 0 | 0 | 0 | 108 | N84 T88 | N84-D86 PolarHBondContact O-N 3.22Å; D86-T88 VanDerWaalsContact C-N 3.29Å; D86-T88 PolarHBondContact O-N 3.08Å |
| 87 | D | 53.8 | Low | 54 | Low | 167 Ų | 167 | 120.3 Ų | 120.3 | 89% | 0.893 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -68.8 | 66.4 | -162.6 | -62.1 | -86.3 | 0 | 0 | 0 | 114.3 | | |
| 88 | T | 53.8 | Low | 55.4 | Low | 124 Ų | 124 | 117.9 Ų | 117.9 | 76% | 0.761 | 70% | 0.7 | S | S | * | * | | | trans | -143.2 | 66.8 | 167.3 | -49.5 | 0 | 0 | 0 | 0 | 110.4 | D86 T90 | D86-T88 VanDerWaalsContact C-N 3.29Å; D86-T88 PolarHBondContact O-N 3.08Å; T88-T90 PolarHBondContact O-N 3.3Å |
| 89 | G | 51.9 | Low | 56.9 | Low | 61 Ų | 61 | 119 Ų | 119 | 63% | 0.629 | 69% | 0.687 | S | S | * | * | | | trans | -68.6 | 112.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | W91 | G89-W91 PolarHBondContact O-N 3.05Š|
| 90 | T | 54.6 | Low | 58.7 | Low | 120 Ų | 120 | 119.2 Ų | 119.2 | 74% | 0.736 | 68% | 0.681 | S | S | * | * | | | trans | -23.8 | 94.6 | 165.3 | 51.3 | 0 | 0 | 0 | 0 | 115.3 | T88 | T88-T90 PolarHBondContact O-N 3.3Š|
| 91 | W | 53.2 | Low | 60.8 | Low | 227 Ų | 227 | 117.3 Ų | 117.3 | 86% | 0.86 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -129.5 | 149.5 | 154.7 | -93 | 68.1 | 0 | 0 | 0 | 106 | G89 N93 | G89-W91 PolarHBondContact O-N 3.05Å; W91-N93 VanDerWaalsContact C-N 3.28Å; W91-N93 PolarHBondContact O-N 3.3Å |
| 92 | P | 54 | Low | 62.9 | Low | 114 Ų | 114 | 120.4 Ų | 120.4 | 74% | 0.74 | 66% | 0.658 | S | S | * | * | | | trans | -60.2 | 98.4 | 172.2 | 24.4 | -30.4 | 0 | 0 | 0 | 107.7 | N94 | P92-N94 PolarHBondContact O-N 3.47Å; P92-N94 VanDerWaalsContact O-N 3.08Å |
| 93 | N | 55.6 | Low | 64.5 | Low | 112 Ų | 112 | 118.3 Ų | 118.3 | 60% | 0.599 | 65% | 0.647 | S | S | * | * | | | trans | -77.2 | 99.5 | -174.7 | -174.2 | -71 | 0 | 0 | 0 | 107.1 | W91 Q95 T98 | W91-N93 VanDerWaalsContact C-N 3.28Å; W91-N93 PolarHBondContact O-N 3.3Å; N93-Q95 PolarHBondContact O-N 2.97Å; N93-T98 PolarHBondContact ND2-OG1 3.33Å; N93-T98 PolarHBondContact OD1-OG1 2.87Å; N93-T98 VanDerWaalsContact OD1-OG1 3.05Å |
| 94 | N | 70.2 | Confident | 66.5 | Low | 101 Ų | 101 | 115.3 Ų | 115.3 | 54% | 0.54 | 63% | 0.634 | S | S | . | * | | | trans | -69.9 | 108.6 | 167.4 | -79.7 | -45.2 | 0 | 0 | 0 | 107.3 | P92 F96 D97 T98 | P92-N94 PolarHBondContact O-N 3.47Å; P92-N94 VanDerWaalsContact O-N 3.08Å; N94-F96 PolarHBondContact O-N 3.28Å; N94-D97 HydrophobicContact CB-CB 4.2Å; N94-D97 PolarHBondContact O-N 2.95Å; N94-T98 PolarHBondContact O-N 3.43Å; N94-T98 PolarHBondContact O-OG1 2.99Å |
| 95 | Q | 68.9 | Low | 68.6 | Low | 145 Ų | 145 | 114.7 Ų | 114.7 | 68% | 0.678 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -51.3 | -43.9 | -177.8 | -169.7 | 178.8 | -34.5 | 0 | 0 | 110.8 | N93 D97 T98 E99 | N93-Q95 PolarHBondContact O-N 2.97Å; Q95-D97 PolarHBondContact O-N 2.99Å; Q95-T98 WeakPolarHBondContact O-CB 3.15Å; Q95-T98 PolarHBondContact O-N 3.36Å; Q95-T98 VanDerWaalsContact O-N 3.12Å; Q95-E99 WeakPolarHBondContact O-CG 3.49Å; Q95-E99 PolarHBondContact O-N 3.29Å; Q95-E99 VanDerWaalsContact O-N 3.16Å |
| 96 | F | 70.6 | Confident | 70.2 | Confident | 165 Ų | 165 | 116.9 Ų | 116.9 | 72% | 0.724 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -58.6 | -39.2 | 178.3 | -62.8 | -69.4 | 0 | 0 | 0 | 114.9 | N94 T98 M100 | N94-F96 PolarHBondContact O-N 3.28Å; F96-T98 VanDerWaalsContact C-N 3.32Å; F96-M100 PolarHBondContact O-N 3.3Å |
| 97 | D | 80.3 | Confident | 71.2 | Confident | 89 Ų | 89 | 113.9 Ų | 113.9 | 48% | 0.476 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -71.2 | -34.1 | 178.4 | -74.2 | -28 | 0 | 0 | 0 | 110.8 | N94 Q95 M100 L101 | N94-D97 HydrophobicContact CB-CB 4.2Å; N94-D97 PolarHBondContact O-N 2.95Å; Q95-D97 PolarHBondContact O-N 2.99Å; D97-M100 PolarHBondContact O-N 3.03Å; D97-L101 WeakPolarHBondContact O-CB 3.3Å; D97-L101 WeakPolarHBondContact O-CG 3.19Å; D97-L101 PolarHBondContact O-N 3Å |
| 98 | T | 77.6 | Confident | 71.7 | Confident | 43 Ų | 43 | 109.5 Ų | 109.5 | 26% | 0.264 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.7 | -36.3 | -179.4 | -45.5 | 0 | 0 | 0 | 0 | 111.6 | N93 N94 Q95 F96 Q102 | N93-T98 PolarHBondContact ND2-OG1 3.33Å; N93-T98 PolarHBondContact OD1-OG1 2.87Å; N93-T98 VanDerWaalsContact OD1-OG1 3.05Å; N94-T98 PolarHBondContact O-N 3.43Å; N94-T98 PolarHBondContact O-OG1 2.99Å; Q95-T98 WeakPolarHBondContact O-CB 3.15Å; Q95-T98 PolarHBondContact O-N 3.36Å; Q95-T98 VanDerWaalsContact O-N 3.12Å; F96-T98 VanDerWaalsContact C-N 3.32Å; T98-Q102 WeakPolarHBondContact O-CB 3.3Å; T98-Q102 VanDerWaalsContact O-CG 3.3Å; T98-Q102 WeakPolarHBondContact O-CG 3.33Å; T98-Q102 PolarHBondContact O-N 3.45Å; T98-Q102 PolarHBondContact O-NE2 3.46Å |
| 99 | E | 79.3 | Confident | 72 | Confident | 91 Ų | 91 | 107 Ų | 107 | 43% | 0.425 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.4 | -43.3 | 174.7 | -6.2 | 177.3 | 168.3 | 0 | 0 | 111.4 | Q95 L101 Q102 A103 | Q95-E99 WeakPolarHBondContact O-CG 3.49Å; Q95-E99 PolarHBondContact O-N 3.29Å; Q95-E99 VanDerWaalsContact O-N 3.16Å; E99-L101 VanDerWaalsContact C-N 3.35Å; E99-L101 PolarHBondContact O-N 3.07Å; E99-Q102 PolarHBondContact O-N 2.84Å; E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 3.36Å |
| 100 | M | 85 | Confident | 72.3 | Confident | 118 Ų | 118 | 109.1 Ų | 109.1 | 58% | 0.581 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.7 | -42.9 | 177.7 | -169 | -171.7 | 81.2 | 0 | 0 | 111.4 | F96 D97 A103 M104 | F96-M100 PolarHBondContact O-N 3.3Å; D97-M100 PolarHBondContact O-N 3.03Å; M100-A103 PolarHBondContact O-N 3.02Å; M100-M104 WeakPolarHBondContact O-CB 3.4Å; M100-M104 PolarHBondContact O-N 3.01Å |
| 101 | L | 90.3 | Very high | 72.4 | Confident | 98 Ų | 98 | 111.7 Ų | 111.7 | 51% | 0.513 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.5 | -46.1 | 174.9 | -78.9 | 168 | 0 | 0 | 0 | 111.7 | D97 E99 A103 M104 I105 | D97-L101 WeakPolarHBondContact O-CB 3.3Å; D97-L101 WeakPolarHBondContact O-CG 3.19Å; D97-L101 PolarHBondContact O-N 3Å; E99-L101 VanDerWaalsContact C-N 3.35Å; E99-L101 PolarHBondContact O-N 3.07Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.49Å; L101-M104 PolarHBondContact O-N 2.99Å; L101-I105 WeakPolarHBondContact O-CD1 3.26Å; L101-I105 VanDerWaalsContact O-CG1 3.27Å; L101-I105 WeakPolarHBondContact O-CG1 3.35Å; L101-I105 PolarHBondContact O-N 2.81Å |
| 102 | Q | 87.6 | Confident | 72.3 | Confident | 126 Ų | 126 | 105.5 Ų | 105.5 | 59% | 0.589 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.6 | -43.8 | 175.4 | -79 | 176.5 | 58.2 | 0 | 0 | 111.7 | T98 E99 I105 L106 | T98-Q102 WeakPolarHBondContact O-CB 3.3Å; T98-Q102 VanDerWaalsContact O-CG 3.3Å; T98-Q102 WeakPolarHBondContact O-CG 3.33Å; T98-Q102 PolarHBondContact O-N 3.45Å; T98-Q102 PolarHBondContact O-NE2 3.46Å; E99-Q102 PolarHBondContact O-N 2.84Å; Q102-I105 PolarHBondContact O-N 3.09Å; Q102-L106 WeakPolarHBondContact O-CB 3.41Å; Q102-L106 PolarHBondContact O-N 3.07Å |
| 103 | A | 82.9 | Confident | 72.1 | Confident | 57 Ų | 57 | 104.1 Ų | 104.1 | 47% | 0.471 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.7 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | E99 M100 L101 L106 A107 | E99-A103 WeakPolarHBondContact O-CB 3.49Å; E99-A103 PolarHBondContact O-N 3.36Å; M100-A103 PolarHBondContact O-N 3.02Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.49Å; A103-L106 PolarHBondContact O-N 3.42Å; A103-A107 WeakPolarHBondContact O-CB 3.37Å; A103-A107 PolarHBondContact O-N 2.79Å |
| 104 | M | 85 | Confident | 71.8 | Confident | 123 Ų | 123 | 106.8 Ų | 106.8 | 61% | 0.606 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -65.4 | -43 | 176.8 | -178.1 | 176.1 | -82.4 | 0 | 0 | 112 | M100 L101 A107 S108 | M100-M104 WeakPolarHBondContact O-CB 3.4Å; M100-M104 PolarHBondContact O-N 3.01Å; L101-M104 PolarHBondContact O-N 2.99Å; M104-A107 PolarHBondContact O-N 2.78Å; M104-S108 WeakPolarHBondContact O-CB 3.44Å; M104-S108 PolarHBondContact O-N 3.31Å; M104-S108 PolarHBondContact O-OG 3.48Å |
| 105 | I | 84.3 | Confident | 70.6 | Confident | 112 Ų | 112 | 105.7 Ų | 105.7 | 57% | 0.574 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -60.4 | -48.5 | 175.3 | -67.7 | 163.6 | 0 | 0 | 0 | 109.9 | L101 Q102 A107 S108 A109 | L101-I105 WeakPolarHBondContact O-CD1 3.26Å; L101-I105 VanDerWaalsContact O-CG1 3.27Å; L101-I105 WeakPolarHBondContact O-CG1 3.35Å; L101-I105 PolarHBondContact O-N 2.81Å; Q102-I105 PolarHBondContact O-N 3.09Å; I105-A107 PolarHBondContact O-N 3.43Å; I105-S108 PolarHBondContact O-N 3.08Å; I105-S108 PolarHBondContact O-OG 2.96Å; I105-A109 PolarHBondContact O-N 3.25Å |
| 106 | L | 85.6 | Confident | 69.8 | Low | 129 Ų | 129 | 104 Ų | 104 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.1 | -38.8 | -179.2 | -166.6 | 65.8 | 0 | 0 | 0 | 112.4 | Q102 A103 S108 A109 | Q102-L106 WeakPolarHBondContact O-CB 3.41Å; Q102-L106 PolarHBondContact O-N 3.07Å; A103-L106 PolarHBondContact O-N 3.42Å; L106-S108 VanDerWaalsContact C-N 3.35Å; L106-A109 PolarHBondContact O-N 3.12Å |
| 107 | A | 70.6 | Confident | 68.5 | Low | 69 Ų | 69 | 101.2 Ų | 101.2 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -63.8 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A103 M104 I105 A109 | A103-A107 WeakPolarHBondContact O-CB 3.37Å; A103-A107 PolarHBondContact O-N 2.79Å; M104-A107 PolarHBondContact O-N 2.78Å; I105-A107 PolarHBondContact O-N 3.43Å; A107-A109 VanDerWaalsContact C-N 3.32Å; A107-A109 PolarHBondContact O-N 2.75Å |
| 108 | S | 65.4 | Low | 67.2 | Low | 75 Ų | 75 | 103.2 Ų | 103.2 | 52% | 0.524 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -72.6 | -21.8 | 177.5 | 71.8 | 0 | 0 | 0 | 0 | 114.1 | M104 I105 L106 S110 | M104-S108 WeakPolarHBondContact O-CB 3.44Å; M104-S108 PolarHBondContact O-N 3.31Å; M104-S108 PolarHBondContact O-OG 3.48Å; I105-S108 PolarHBondContact O-N 3.08Å; I105-S108 PolarHBondContact O-OG 2.96Å; L106-S108 VanDerWaalsContact C-N 3.35Å; S108-S110 VanDerWaalsContact C-N 3.26Å; S108-S110 PolarHBondContact O-N 3.27Å |
| 109 | A | 58.6 | Low | 66 | Low | 71 Ų | 71 | 109.3 Ų | 109.3 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -7.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | I105 L106 A107 | I105-A109 PolarHBondContact O-N 3.25Å; L106-A109 PolarHBondContact O-N 3.12Å; A107-A109 VanDerWaalsContact C-N 3.32Å; A107-A109 PolarHBondContact O-N 2.75Å |
| 110 | S | 58.8 | Low | 64.3 | Low | 106 Ų | 106 | 107.8 Ų | 107.8 | 74% | 0.741 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 0.6 | -176.5 | -61.1 | 0 | 0 | 0 | 0 | 114.5 | S108 | S108-S110 VanDerWaalsContact C-N 3.26Å; S108-S110 PolarHBondContact O-N 3.27Å |
| 111 | E | 56.8 | Low | 62.8 | Low | 175 Ų | 175 | 106.5 Ų | 106.5 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -110.1 | 2.2 | -172.2 | -54.7 | -166.8 | 119.7 | 0 | 0 | 115.2 | | |
| 112 | A | 50 | Low | 60.7 | Low | 96 Ų | 96 | 105.4 Ų | 105.4 | 79% | 0.793 | 71% | 0.709 | S | S | * | * | | | trans | -121.1 | 60.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 113 | A | 51.3 | Low | 58.8 | Low | 86 Ų | 86 | 103.8 Ų | 103.8 | 71% | 0.711 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -95.4 | 128.3 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 114 | D | 49.6 | Very low | 57.6 | Low | 167 Ų | 167 | 105 Ų | 105 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | S | Bend | trans | 88.9 | 82.9 | 171.3 | -48.9 | -28.6 | 0 | 0 | 0 | 117.1 | | |
| 115 | G | 43.9 | Very low | 56.2 | Low | 78 Ų | 78 | 105.5 Ų | 105.5 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | -171.4 | 73.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | S117 | G115-S117 PolarHBondContact O-N 3.27Š|
| 116 | S | 52 | Low | 54.7 | Low | 111 Ų | 111 | 108.9 Ų | 108.9 | 78% | 0.776 | 76% | 0.761 | S | S | * | * | | | trans | -40.7 | 125.7 | 165.3 | 177.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 117 | S | 44.5 | Very low | 53.4 | Low | 106 Ų | 106 | 106.4 Ų | 106.4 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | trans | -162.1 | 99 | 144.5 | -90.2 | 0 | 0 | 0 | 0 | 111.5 | G115 L119 | G115-S117 PolarHBondContact O-N 3.27Å; S117-L119 PolarHBondContact O-N 3Å; S117-L119 VanDerWaalsContact O-N 3.08Å |
| 118 | T | 52.5 | Low | 52.9 | Low | 131 Ų | 131 | 111 Ų | 111 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -59 | 97.5 | 156.4 | 163.8 | 0 | 0 | 0 | 0 | 109.2 | G120 | T118-G120 PolarHBondContact O-N 3.47Š|
| 119 | L | 51.4 | Low | 52.3 | Low | 170 Ų | 170 | 112.7 Ų | 112.7 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | -88.6 | 95.6 | 161.8 | -93 | 161.3 | 0 | 0 | 0 | 107.7 | S117 | S117-L119 PolarHBondContact O-N 3Å; S117-L119 VanDerWaalsContact O-N 3.08Å |
| 120 | G | 44.1 | Very low | 52.1 | Low | 60 Ų | 60 | 114 Ų | 114 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | | | trans | -53.9 | 148.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T118 | T118-G120 PolarHBondContact O-N 3.47Š|
| 121 | G | 53.3 | Low | 52 | Low | 91 Ų | 91 | 119.2 Ų | 119.2 | 94% | 0.938 | 81% | 0.807 | S | S | * | * | | | trans | -56.3 | 134 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 122 | G | 46.3 | Very low | 51.8 | Low | 74 Ų | 74 | 122.5 Ų | 122.5 | 76% | 0.763 | 81% | 0.813 | S | S | * | * | | | trans | -152.1 | 113 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 123 | A | 48.1 | Very low | 52.3 | Low | 93 Ų | 93 | 120.4 Ų | 120.4 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | | | trans | -53.3 | 147.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T125 | A123-T125 PolarHBondContact O-N 3.06Å; A123-T125 PolarHBondContact O-OG1 3.39Å |
| 124 | G | 57.5 | Low | 52.8 | Low | 81 Ų | 81 | 121.5 Ų | 121.5 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -45.1 | 107.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 125 | T | 55 | Low | 53.4 | Low | 135 Ų | 135 | 121.6 Ų | 121.6 | 83% | 0.828 | 80% | 0.796 | S | S | * | * | | | trans | -146.2 | 80 | 161.7 | 35.5 | 0 | 0 | 0 | 0 | 108.1 | A123 G127 | A123-T125 PolarHBondContact O-N 3.06Å; A123-T125 PolarHBondContact O-OG1 3.39Å; T125-G127 PolarHBondContact O-N 3.18Å; T125-G127 VanDerWaalsContact O-N 3.09Å |
| 126 | M | 53.2 | Low | 54.2 | Low | 182 Ų | 182 | 126.4 Ų | 126.4 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | | | trans | -72.5 | 102.4 | 164.5 | -68 | -150.5 | -61.5 | 0 | 0 | 107.5 | L128 | M126-L128 PolarHBondContact O-N 3.15Å; M126-L128 VanDerWaalsContact O-N 3.07Å |
| 127 | G | 59.1 | Low | 54.3 | Low | 78 Ų | 78 | 124.4 Ų | 124.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | trans | -60 | 106.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T125 S129 | T125-G127 PolarHBondContact O-N 3.18Å; T125-G127 VanDerWaalsContact O-N 3.09Å; G127-S129 PolarHBondContact O-N 3.05Å |
| 128 | L | 59.6 | Low | 55.1 | Low | 166 Ų | 166 | 128.3 Ų | 128.3 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | trans | -76 | 107.7 | 167.2 | -61.2 | 177 | 0 | 0 | 0 | 107.6 | M126 A130 | M126-L128 PolarHBondContact O-N 3.15Å; M126-L128 VanDerWaalsContact O-N 3.07Å; L128-A130 PolarHBondContact O-N 3.37Å |
| 129 | S | 52.9 | Low | 55.6 | Low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -56 | 122 | 175.4 | 50.3 | 0 | 0 | 0 | 0 | 110.4 | G127 R131 | G127-S129 PolarHBondContact O-N 3.05Å; S129-R131 VanDerWaalsContact C-N 3.26Å; S129-R131 PolarHBondContact O-N 3.19Å |
| 130 | A | 53.4 | Low | 56.2 | Low | 97 Ų | 97 | 127.9 Ų | 127.9 | 80% | 0.802 | 77% | 0.774 | S | S | * | * | | | trans | -81.7 | 13.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | L128 | L128-A130 PolarHBondContact O-N 3.37Š|
| 131 | R | 57.9 | Low | 57.4 | Low | 216 Ų | 216 | 131.2 Ų | 131.2 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -139.2 | 105.2 | -172.7 | -68.6 | -152.3 | -83.4 | -91.6 | 9.7 | 113.1 | S129 | S129-R131 VanDerWaalsContact C-N 3.26Å; S129-R131 PolarHBondContact O-N 3.19Å |
| 132 | Y | 51.3 | Low | 58.1 | Low | 244 Ų | 244 | 129.9 Ų | 129.9 | 96% | 0.957 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 60.2 | 80.5 | 164.9 | -81.5 | -95.3 | 0 | 0 | 0 | 115.9 | | |
| 133 | G | 61.4 | Low | 59.1 | Low | 53 Ų | 53 | 129.5 Ų | 129.5 | 55% | 0.546 | 74% | 0.737 | S | S | . | * | | | trans | -139 | 151.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q135 | G133-Q135 PolarHBondContact O-N 2.91Š|
| 134 | P | 60.8 | Low | 60.2 | Low | 108 Ų | 108 | 132.2 Ų | 132.2 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | | | trans | -56.7 | 114 | 167.6 | 24.5 | -30.8 | 0 | 0 | 0 | 107.4 | F136 | P134-F136 VanDerWaalsContact C-N 3.27Å; P134-F136 HydrophobicContact CG-CE2 4.37Å; P134-F136 HydrophobicContact CG-CZ 4.45Å; P134-F136 PolarHBondContact O-N 2.81Å |
| 135 | Q | 63.9 | Low | 60.6 | Low | 169 Ų | 169 | 136 Ų | 136 | 79% | 0.79 | 72% | 0.718 | S | S | * | * | | | trans | -63.9 | 98.4 | 167.7 | -68.7 | -89.1 | -23.7 | 0 | 0 | 104.8 | G133 T137 | G133-Q135 PolarHBondContact O-N 2.91Å; Q135-T137 PolarHBondContact O-N 3.43Å |
| 136 | F | 60.3 | Low | 61.2 | Low | 180 Ų | 180 | 135.4 Ų | 135.4 | 79% | 0.789 | 71% | 0.706 | S | S | * | * | | | trans | -63.4 | 86.5 | 156.2 | -59.2 | -80.1 | 0 | 0 | 0 | 104.4 | P134 L138 | P134-F136 VanDerWaalsContact C-N 3.27Å; P134-F136 HydrophobicContact CG-CE2 4.37Å; P134-F136 HydrophobicContact CG-CZ 4.45Å; P134-F136 PolarHBondContact O-N 2.81Å; F136-L138 PolarHBondContact O-N 3.28Å; F136-L138 VanDerWaalsContact O-N 3.15Å |
| 137 | T | 54.2 | Low | 62.2 | Low | 68 Ų | 68 | 132.4 Ų | 132.4 | 42% | 0.417 | 69% | 0.693 | S | S | . | * | | | trans | -45.1 | 127.5 | 155.8 | 51.5 | 0 | 0 | 0 | 0 | 105.3 | Q135 Q139 | Q135-T137 PolarHBondContact O-N 3.43Å; T137-Q139 VanDerWaalsContact CB-CG 3.46Å; T137-Q139 WeakPolarHBondContact O-CB 3.49Å; T137-Q139 PolarHBondContact O-N 2.74Å; T137-Q139 WeakPolarHBondContact OG1-CB 3.43Å; T137-Q139 WeakPolarHBondContact OG1-CG 3.27Å; T137-Q139 PolarHBondContact OG1-NE2 2.98Å; T137-Q139 PolarHBondContact OG1-OE1 3.4Å; T137-Q139 VanDerWaalsContact OG1-OE1 3.1Å |
| 138 | L | 59.8 | Low | 63.1 | Low | 188 Ų | 188 | 133.4 Ų | 133.4 | 98% | 0.984 | 68% | 0.683 | S | S | * | * | | | trans | -60.5 | 70.6 | 171.5 | -129.4 | 81.7 | 0 | 0 | 0 | 107.5 | F136 | F136-L138 PolarHBondContact O-N 3.28Å; F136-L138 VanDerWaalsContact O-N 3.15Å |
| 139 | Q | 64.8 | Low | 64 | Low | 147 Ų | 147 | 134.4 Ų | 134.4 | 69% | 0.687 | 68% | 0.677 | S | S | * | * | | | trans | -115.2 | 111.3 | -166.6 | -89.5 | 174.4 | 28.6 | 0 | 0 | 106.3 | T137 | T137-Q139 VanDerWaalsContact CB-CG 3.46Å; T137-Q139 WeakPolarHBondContact O-CB 3.49Å; T137-Q139 PolarHBondContact O-N 2.74Å; T137-Q139 WeakPolarHBondContact OG1-CB 3.43Å; T137-Q139 WeakPolarHBondContact OG1-CG 3.27Å; T137-Q139 PolarHBondContact OG1-NE2 2.98Å; T137-Q139 PolarHBondContact OG1-OE1 3.4Å; T137-Q139 VanDerWaalsContact OG1-OE1 3.1Å |
| 140 | H | 62.4 | Low | 65.2 | Low | 146 Ų | 146 | 133.7 Ų | 133.7 | 68% | 0.676 | 66% | 0.663 | S | S | * | * | | | trans | 59.9 | 88.2 | 171.9 | -160.4 | 62.8 | 0 | 0 | 0 | 114.4 | P142 | H140-P142 VanDerWaalsContact O-CD 3.27Å; H140-P142 WeakPolarHBondContact O-CD 3.43Å |
| 141 | V | 69.8 | Low | 66 | Low | 130 Ų | 130 | 134 Ų | 134 | 79% | 0.788 | 66% | 0.657 | S | S | * | * | | | trans | -56.8 | 119.1 | 148.5 | 179.6 | 0 | 0 | 0 | 0 | 105.9 | D143 | V141-D143 PolarHBondContact O-N 3.31Š|
| 142 | P | 67.9 | Low | 66.8 | Low | 63 Ų | 63 | 127.9 Ų | 127.9 | 41% | 0.409 | 66% | 0.662 | S | S | . | * | | | trans | -56.2 | 114.1 | 178.7 | -23.1 | 33.1 | 0 | 0 | 0 | 108.9 | H140 Y144 | H140-P142 VanDerWaalsContact O-CD 3.27Å; H140-P142 WeakPolarHBondContact O-CD 3.43Å; P142-Y144 VanDerWaalsContact C-N 3.34Å; P142-Y144 HydrophobicContact CB-CD1 4.36Å; P142-Y144 HydrophobicContact CB-CE1 3.83Å; P142-Y144 HydrophobicContact CB-CE2 4.05Å; P142-Y144 VanDerWaalsContact O-CD2 3.28Å; P142-Y144 WeakPolarHBondContact O-CD2 3.3Å; P142-Y144 PolarHBondContact O-N 3.45Å |
| 143 | D | 68.4 | Low | 67.5 | Low | 66 Ų | 66 | 118.7 Ų | 118.7 | 35% | 0.353 | 63% | 0.633 | S | S | . | * | | | trans | -79.7 | 89.2 | 179.2 | -165.2 | -5.4 | 0 | 0 | 0 | 108.2 | V141 R145 N159 | V141-D143 PolarHBondContact O-N 3.31Å; D143-R145 PolarHBondContact O-N 2.91Å; D143-R145 WeakPolarHBondContact OD1-CG 3.32Å; D143-N159 WeakPolarHBondContact OD2-CB 3.39Å; D143-N159 PolarHBondContact OD2-ND2 3.24Å |
| 144 | Y | 71.4 | Confident | 68 | Low | 149 Ų | 149 | 123.9 Ų | 123.9 | 58% | 0.584 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -67.8 | 11.2 | -176.9 | -60.7 | -67.4 | 0 | 0 | 0 | 114.4 | P142 Q146 N147 | P142-Y144 VanDerWaalsContact C-N 3.34Å; P142-Y144 HydrophobicContact CB-CD1 4.36Å; P142-Y144 HydrophobicContact CB-CE1 3.83Å; P142-Y144 HydrophobicContact CB-CE2 4.05Å; P142-Y144 VanDerWaalsContact O-CD2 3.28Å; P142-Y144 WeakPolarHBondContact O-CD2 3.3Å; P142-Y144 PolarHBondContact O-N 3.45Å; Y144-Q146 PolarHBondContact O-N 3.31Å; Y144-N147 WeakPolarHBondContact CD1-ND2 2.92Å; Y144-N147 PolarHBondContact O-N 3.48Å |
| 145 | R | 65.2 | Low | 68.1 | Low | 161 Ų | 161 | 122 Ų | 122 | 61% | 0.608 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -55.8 | -18.7 | 176.9 | -69.4 | -89.8 | 177 | -139.5 | -4.7 | 113.5 | D143 | D143-R145 PolarHBondContact O-N 2.91Å; D143-R145 WeakPolarHBondContact OD1-CG 3.32Å |
| 146 | Q | 66.6 | Low | 68 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 58% | 0.575 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -96.8 | -8.8 | 178.9 | -60 | -172.3 | 17.4 | 0 | 0 | 114.3 | Y144 V148 T156 | Y144-Q146 PolarHBondContact O-N 3.31Å; Q146-V148 PolarHBondContact O-N 3.02Å; Q146-T156 HydrophobicContact CG-CG2 4.25Å |
| 147 | N | 74 | Confident | 68 | Low | 119 Ų | 119 | 114.7 Ų | 114.7 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | | | trans | -78.5 | -1.9 | -174.5 | -67.3 | 38.8 | 0 | 0 | 0 | 112.7 | Y144 Y149 | Y144-N147 WeakPolarHBondContact CD1-ND2 2.92Å; Y144-N147 PolarHBondContact O-N 3.48Å; N147-Y149 PolarHBondContact O-N 3.37Å |
| 148 | V | 79.8 | Confident | 68.2 | Low | 98 Ų | 98 | 116.9 Ų | 116.9 | 59% | 0.594 | 63% | 0.633 | S | S | * | * | | | trans | -89.9 | 99.7 | 175 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | Q146 I150 | Q146-V148 PolarHBondContact O-N 3.02Å; V148-I150 HydrophobicContact CG1-CG1 4.21Å |
| 149 | Y | 77.1 | Confident | 67.8 | Low | 188 Ų | 188 | 112.3 Ų | 112.3 | 74% | 0.737 | 61% | 0.61 | S | S | * | * | | | trans | -79.5 | 120.1 | 170.2 | 178.2 | -108.7 | 0 | 0 | 0 | 110.2 | N147 P151 | N147-Y149 PolarHBondContact O-N 3.37Å; Y149-P151 HydrophobicContact CD1-CG 4.23Å; Y149-P151 HydrophobicContact CE1-CB 4.21Å; Y149-P151 HydrophobicContact CE1-CG 3.89Å |
| 150 | I | 77.8 | Confident | 67.4 | Low | 94 Ų | 94 | 110 Ų | 110 | 48% | 0.482 | 62% | 0.616 | S | S | . | * | | | trans | -105.7 | 109.9 | 173.1 | -58.2 | 176.2 | 0 | 0 | 0 | 107.5 | V148 G152 S153 | V148-I150 HydrophobicContact CG1-CG1 4.21Å; I150-G152 PolarHBondContact O-N 3.26Å; I150-S153 WeakPolarHBondContact O-CB 3.43Å; I150-S153 PolarHBondContact O-N 2.84Å |
| 151 | P | 70.6 | Confident | 66.8 | Low | 103 Ų | 103 | 107.5 Ų | 107.5 | 67% | 0.669 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 129 | 178.1 | -22.7 | 31.5 | 0 | 0 | 0 | 111.4 | Y149 S153 | Y149-P151 HydrophobicContact CD1-CG 4.23Å; Y149-P151 HydrophobicContact CE1-CB 4.21Å; Y149-P151 HydrophobicContact CE1-CG 3.89Å; P151-S153 VanDerWaalsContact C-N 3.33Å |
| 152 | G | 75 | Confident | 65.8 | Low | 89 Ų | 89 | 104 Ų | 104 | 92% | 0.918 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 84.7 | -1.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I150 | I150-G152 PolarHBondContact O-N 3.26Š|
| 153 | S | 67.1 | Low | 64.5 | Low | 51 Ų | 51 | 110.4 Ų | 110.4 | 36% | 0.357 | 63% | 0.632 | S | S | . | * | | | trans | -108.5 | 128.9 | 173.8 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | I150 P151 A155 | I150-S153 WeakPolarHBondContact O-CB 3.43Å; I150-S153 PolarHBondContact O-N 2.84Å; P151-S153 VanDerWaalsContact C-N 3.33Å; S153-A155 WeakPolarHBondContact OG-CB 3.19Å; S153-A155 PolarHBondContact OG-N 3.16Å |
| 154 | N | 70.8 | Confident | 63.7 | Low | 161 Ų | 161 | 118.9 Ų | 118.9 | 86% | 0.861 | 66% | 0.659 | S | S | * | * | | | trans | -96.4 | 10.5 | 171.3 | 59.2 | -9.5 | 0 | 0 | 0 | 112.5 | T156 | N154-T156 PolarHBondContact O-N 3.47Š|
| 155 | A | 62.3 | Low | 62.4 | Low | 68 Ų | 68 | 118.8 Ų | 118.8 | 56% | 0.562 | 67% | 0.669 | S | S | * | * | | | trans | -76.2 | 119.9 | -174 | 0 | 0 | 0 | 0 | 0 | 112.1 | S153 | S153-A155 WeakPolarHBondContact OG-CB 3.19Å; S153-A155 PolarHBondContact OG-N 3.16Å |
| 156 | T | 61.7 | Low | 61.8 | Low | 102 Ų | 102 | 115.4 Ų | 115.4 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | | | trans | -84.4 | 113.4 | 169.2 | -45.3 | 0 | 0 | 0 | 0 | 109.3 | Q146 N154 T158 | Q146-T156 HydrophobicContact CG-CG2 4.25Å; N154-T156 PolarHBondContact O-N 3.47Å; T156-T158 PolarHBondContact O-N 3.42Å |
| 157 | L | 60.7 | Low | 60.6 | Low | 95 Ų | 95 | 118.7 Ų | 118.7 | 50% | 0.497 | 70% | 0.696 | S | S | . | * | | | trans | -77.4 | 86.1 | 176.5 | -63.8 | 175.1 | 0 | 0 | 0 | 109.7 | | |
| 158 | T | 58.6 | Low | 59 | Low | 114 Ų | 114 | 117.2 Ų | 117.2 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | | | trans | -81 | 135.5 | 172.9 | -174 | 0 | 0 | 0 | 0 | 110.8 | T156 A160 | T156-T158 PolarHBondContact O-N 3.42Å; T158-A160 PolarHBondContact O-N 3.08Å |
| 159 | N | 51.1 | Low | 57.2 | Low | 92 Ų | 92 | 118.5 Ų | 118.5 | 49% | 0.492 | 71% | 0.711 | S | S | . | * | | | trans | -72.4 | 114.5 | 174.7 | -166 | 13 | 0 | 0 | 0 | 108.7 | D143 A161 | D143-N159 WeakPolarHBondContact OD2-CB 3.39Å; D143-N159 PolarHBondContact OD2-ND2 3.24Å; N159-A161 PolarHBondContact O-N 3.35Å |
| 160 | A | 57.3 | Low | 55.9 | Low | 98 Ų | 98 | 114.7 Ų | 114.7 | 81% | 0.81 | 72% | 0.718 | S | S | * | * | | | trans | -75.1 | 77.2 | 175 | 0 | 0 | 0 | 0 | 0 | 109.5 | T158 G162 | T158-A160 PolarHBondContact O-N 3.08Å; A160-G162 PolarHBondContact O-N 3.48Å |
| 161 | A | 48.7 | Very low | 54.6 | Low | 94 Ų | 94 | 114.3 Ų | 114.3 | 78% | 0.777 | 74% | 0.737 | S | S | * | * | | | trans | -73 | 92.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | N159 | N159-A161 PolarHBondContact O-N 3.35Š|
| 162 | G | 50.6 | Low | 53.1 | Low | 56 Ų | 56 | 113 Ų | 113 | 58% | 0.577 | 74% | 0.743 | S | S | * | * | | | trans | 96.6 | 100.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | A160 | A160-G162 PolarHBondContact O-N 3.48Š|
| 163 | K | 40.6 | Very low | 51.8 | Low | 198 Ų | 198 | 117 Ų | 117 | 86% | 0.861 | 74% | 0.743 | S | S | * | * | | | | -154.7 | 100 | 113.8 | -73.1 | -48.3 | -178.5 | -165.8 | 0 | 108.3 | D165 | K163-D165 PolarHBondContact O-N 2.83Š|
| 164 | R | 50.3 | Low | 50.7 | Low | 244 Ų | 244 | 117.7 Ų | 117.7 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | | | trans | -72.2 | 104 | 145.1 | -70.8 | -175.4 | -134.4 | 133.8 | 1.8 | 104.7 | | |
| 165 | D | 45.5 | Very low | 49.8 | Very low | 147 Ų | 147 | 116.4 Ų | 116.4 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | | | trans | -159.7 | 119.8 | 141.2 | -82.2 | -45.4 | 0 | 0 | 0 | 105.6 | K163 K167 | K163-D165 PolarHBondContact O-N 2.83Å; D165-K167 PolarHBondContact O-N 3.42Å |
| 166 | G | 50.7 | Low | 49.2 | Very low | 90 Ų | 90 | 122.5 Ų | 122.5 | 93% | 0.928 | 77% | 0.765 | S | S | * | * | | | trans | -61.4 | 104.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 167 | K | 41.8 | Very low | 49 | Very low | 192 Ų | 192 | 127.1 Ų | 127.1 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | | | trans | -151.5 | 108.9 | 149.4 | -156.9 | 168 | -172.9 | -75.7 | 0 | 108.6 | D165 | D165-K167 PolarHBondContact O-N 3.42Š|
| 168 | A | 40.5 | Very low | 48.8 | Very low | 87 Ų | 87 | 132.1 Ų | 132.1 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 139.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | A170 | A168-A170 PolarHBondContact O-N 3.34Š|
| 169 | P | 41.5 | Very low | 48.7 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 122.2 | 166.1 | 28.2 | -29.5 | 0 | 0 | 0 | 108 | G171 | P169-G171 PolarHBondContact O-N 3.42Š|
| 170 | A | 51.6 | Low | 49 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -57 | 130.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | A168 | A168-A170 PolarHBondContact O-N 3.34Š|
| 171 | G | 48.8 | Very low | 48.8 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | | | trans | 156.5 | 74.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P169 | P169-G171 PolarHBondContact O-N 3.42Š|
| 172 | G | 39 | Very low | 49.1 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | | | trans | -166.8 | 71.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G174 | G172-G174 PolarHBondContact O-N 3.06Š|
| 173 | N | 47.9 | Very low | 49.4 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 93% | 0.93 | 84% | 0.835 | S | S | * | * | | | trans | -53.3 | 117.6 | 171.6 | -166.5 | 29.6 | 0 | 0 | 0 | 110.1 | | |
| 174 | G | 43.8 | Very low | 50.1 | Low | 65 Ų | 65 | 148 Ų | 148 | 67% | 0.67 | 84% | 0.837 | S | S | * | * | | | trans | -143.7 | 69.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G172 K176 | G172-G174 PolarHBondContact O-N 3.06Å; G174-K176 PolarHBondContact O-N 3.49Å |
| 175 | N | 52.5 | Low | 50.5 | Low | 133 Ų | 133 | 149.4 Ų | 149.4 | 71% | 0.711 | 85% | 0.849 | S | S | * | * | | | trans | -59 | 106.5 | 168.3 | -178.8 | 26.9 | 0 | 0 | 0 | 110 | | |
| 176 | K | 49.9 | Very low | 50.8 | Low | 197 Ų | 197 | 149.6 Ų | 149.6 | 86% | 0.857 | 85% | 0.852 | S | S | * | * | | | trans | -126.2 | 90.9 | 164.3 | -84 | 176.7 | -178.8 | 159.9 | 0 | 108.5 | G174 K178 | G174-K176 PolarHBondContact O-N 3.49Å; K176-K178 PolarHBondContact O-N 2.96Å; K176-K178 VanDerWaalsContact O-N 3.14Å |
| 177 | K | 58.4 | Low | 50.8 | Low | 198 Ų | 198 | 152.7 Ų | 152.7 | 86% | 0.861 | 85% | 0.848 | S | S | * | * | | | trans | -54.4 | 113.5 | 158.2 | -72.6 | -177.6 | 175.7 | 178.4 | 0 | 108.3 | | |
| 178 | K | 54.9 | Low | 51.3 | Low | 200 Ų | 200 | 150.5 Ų | 150.5 | 87% | 0.87 | 85% | 0.849 | S | S | * | * | | | trans | -130.2 | 108.3 | 159.9 | -159.3 | 170.5 | -174.9 | 175.8 | 0 | 107.8 | K176 | K176-K178 PolarHBondContact O-N 2.96Å; K176-K178 VanDerWaalsContact O-N 3.14Å |
| 179 | S | 58.2 | Low | 51.9 | Low | 121 Ų | 121 | 154.2 Ų | 154.2 | 85% | 0.846 | 86% | 0.857 | S | S | * | * | | | trans | -56.5 | 130.2 | -179.5 | 178.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 180 | G | 56.1 | Low | 52.6 | Low | 73 Ų | 73 | 156 Ų | 156 | 75% | 0.753 | 86% | 0.859 | S | S | * | * | | | trans | -80.5 | 111.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 181 | K | 53.9 | Low | 52.7 | Low | 198 Ų | 198 | 159.2 Ų | 159.2 | 86% | 0.861 | 86% | 0.857 | S | S | * | * | | | trans | -1.2 | 111.3 | 146.1 | -166.2 | 170.3 | -178.3 | 177.1 | 0 | 118.2 | | |
| 182 | K | 55.6 | Low | 52.9 | Low | 193 Ų | 193 | 164.5 Ų | 164.5 | 84% | 0.839 | 86% | 0.856 | S | S | * | * | | | | 23.1 | 99.9 | 129.7 | -165.9 | 175.1 | -173.8 | 175.3 | 0 | 116.3 | | |
| 183 | E | 55.8 | Low | 54 | Low | 196 Ų | 196 | 171.3 Ų | 171.3 | 92% | 0.916 | 86% | 0.861 | S | S | * | * | | | trans | -90 | 131.7 | 155.1 | -75.2 | -171.2 | 93.4 | 0 | 0 | 109.9 | | |
| 184 | K | 55.1 | Low | 54.5 | Low | 206 Ų | 206 | 171.1 Ų | 171.1 | 90% | 0.896 | 86% | 0.855 | S | S | * | * | | | trans | -94.4 | 123.3 | 174.2 | 177.4 | -175.9 | 178.5 | -177.6 | 0 | 106.3 | | |
| 185 | K | 59.8 | Low | 55.5 | Low | 273 Ų | 273 | 180.7 Ų | 180.7 | 100% | 1.187 | 87% | 0.872 | S | S | * | * | | | trans | -133.1 | 0 | 161.1 | -160.1 | 174.9 | -176.1 | 179.5 | 0 | 108.2 | | |