| 1 | M | 46.7 | Very low | 60.5 | Low | 250 Ų | 250 | 152.2 Ų | 152.2 | 100% | 1.232 | 85% | 0.846 | S | S | * | * | | | | 0 | 150 | 0 | -68.5 | 176.2 | -167.2 | 0 | 0 | 108.8 | | |
| 2 | K | 67.2 | Low | 60.6 | Low | 214 Ų | 214 | 153.2 Ų | 153.2 | 93% | 0.93 | 84% | 0.843 | S | S | * | * | | | trans | -53.8 | 131.3 | -174 | -162.3 | 172.9 | -174.6 | 175.9 | 0 | 113.8 | | |
| 3 | G | 55.2 | Low | 61.4 | Low | 78 Ų | 78 | 153.3 Ų | 153.3 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | | | trans | -136.6 | 110.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | | |
| 4 | G | 54.6 | Low | 61.8 | Low | 70 Ų | 70 | 152.1 Ų | 152.1 | 72% | 0.722 | 84% | 0.841 | S | S | * | * | | | | 91.9 | 69.8 | 68.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 5 | A | 61.6 | Low | 62.2 | Low | 86 Ų | 86 | 149 Ų | 149 | 71% | 0.711 | 83% | 0.831 | S | S | * | * | | | | 87.9 | 145.5 | 93 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 6 | I | 56.9 | Low | 62.6 | Low | 137 Ų | 137 | 150.1 Ų | 150.1 | 70% | 0.703 | 83% | 0.827 | S | S | * | * | | | trans | 73.3 | 109.4 | 159.3 | -29.8 | 179.7 | 0 | 0 | 0 | 111.6 | | |
| 7 | F | 61.7 | Low | 62.8 | Low | 204 Ų | 204 | 148.5 Ų | 148.5 | 90% | 0.895 | 83% | 0.826 | S | S | * | * | | | | -157.9 | 112.5 | 78.1 | -79.8 | -87.6 | 0 | 0 | 0 | 110.5 | | |
| 8 | S | 64.6 | Low | 62.7 | Low | 108 Ų | 108 | 148.9 Ų | 148.9 | 76% | 0.755 | 83% | 0.826 | S | S | * | * | | | trans | -90.1 | 129.3 | 161.8 | 40.1 | 0 | 0 | 0 | 0 | 109 | | |
| 9 | R | 67.8 | Low | 62.8 | Low | 241 Ų | 241 | 144.4 Ų | 144.4 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | | | trans | -176.3 | 135.3 | 142 | -100.8 | 158.9 | -177.2 | -163.1 | -0.3 | 111.9 | | |
| 10 | P | 60.6 | Low | 62.8 | Low | 120 Ų | 120 | 146.1 Ų | 146.1 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | | | trans | -94.1 | 145 | -170.2 | 37.4 | -31.7 | 0 | 0 | 0 | 111.8 | | |
| 11 | L | 68.5 | Low | 63 | Low | 166 Ų | 166 | 144.9 Ų | 144.9 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | | | trans | -109.2 | 100.3 | 174.2 | -64.5 | 177.9 | 0 | 0 | 0 | 110.4 | | |
| 12 | M | 62 | Low | 64.3 | Low | 164 Ų | 164 | 136.7 Ų | 136.7 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | | | trans | 55.1 | 104.7 | 138.8 | -60.4 | -87.4 | -82.5 | 0 | 0 | 118.1 | | |
| 13 | N | 70.6 | Confident | 64.4 | Low | 155 Ų | 155 | 129.8 Ų | 129.8 | 83% | 0.829 | 76% | 0.757 | S | S | * | * | | | trans | 27.9 | 95.4 | 149.7 | -62.6 | 8.4 | 0 | 0 | 0 | 117.8 | P15 | N13-P15 VanDerWaalsContact O-CD 3.32Å; N13-P15 WeakPolarHBondContact O-CD 3.46Å |
| 14 | V | 66.8 | Low | 65.4 | Low | 136 Ų | 136 | 129.4 Ų | 129.4 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | | | trans | -71.8 | 115.7 | 153.3 | -178.1 | 0 | 0 | 0 | 0 | 106.6 | E16 | V14-E16 PolarHBondContact O-N 2.78Š|
| 15 | P | 67.7 | Low | 66.2 | Low | 106 Ų | 106 | 132.9 Ų | 132.9 | 69% | 0.688 | 74% | 0.741 | S | S | * | * | | | trans | -62.7 | 123.6 | 171.1 | 26.1 | -31.1 | 0 | 0 | 0 | 107.6 | N13 | N13-P15 VanDerWaalsContact O-CD 3.32Å; N13-P15 WeakPolarHBondContact O-CD 3.46Å |
| 16 | E | 69.8 | Low | 66.9 | Low | 167 Ų | 167 | 133 Ų | 133 | 78% | 0.78 | 74% | 0.736 | S | S | * | * | | | trans | -53.4 | 135.4 | 169.2 | -70.1 | -169.7 | 166.4 | 0 | 0 | 108 | V14 N18 | V14-E16 PolarHBondContact O-N 2.78Å; E16-N18 PolarHBondContact O-N 3.16Å |
| 17 | P | 64.8 | Low | 67.6 | Low | 123 Ų | 123 | 131.5 Ų | 131.5 | 80% | 0.799 | 73% | 0.726 | S | S | * | * | | | trans | -54.9 | 112.7 | 172 | 23.1 | -31.1 | 0 | 0 | 0 | 107 | G19 | P17-G19 PolarHBondContact O-N 3.14Š|
| 18 | N | 61.4 | Low | 68.2 | Low | 156 Ų | 156 | 127.4 Ų | 127.4 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | | | trans | -34.3 | 124.1 | -178.5 | -57.4 | -41 | 0 | 0 | 0 | 109.7 | E16 | E16-N18 PolarHBondContact O-N 3.16Š|
| 19 | G | 64.2 | Low | 68.5 | Low | 62 Ų | 62 | 127.7 Ų | 127.7 | 64% | 0.639 | 71% | 0.71 | S | S | * | * | | | trans | -39.1 | 141.4 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P17 V21 | P17-G19 PolarHBondContact O-N 3.14Å; G19-V21 VanDerWaalsContact C-N 3.28Å; G19-V21 WeakPolarHBondContact O-CG2 3.39Å; G19-V21 PolarHBondContact O-N 3.45Å |
| 20 | H | 64.1 | Low | 68.8 | Low | 179 Ų | 179 | 118.9 Ų | 118.9 | 83% | 0.829 | 69% | 0.689 | S | S | * | * | | | trans | -59.8 | 87.7 | 177.2 | -168.9 | -80.9 | 0 | 0 | 0 | 110.2 | S22 | H20-S22 PolarHBondContact O-N 3.04Š|
| 21 | V | 67 | Low | 69.3 | Low | 121 Ų | 121 | 118.5 Ų | 118.5 | 73% | 0.733 | 69% | 0.687 | S | S | * | * | | | trans | -76.5 | 108.8 | 171.9 | -170.8 | 0 | 0 | 0 | 0 | 106.4 | G19 | G19-V21 VanDerWaalsContact C-N 3.28Å; G19-V21 WeakPolarHBondContact O-CG2 3.39Å; G19-V21 PolarHBondContact O-N 3.45Å |
| 22 | S | 73.2 | Confident | 69.3 | Low | 78 Ų | 78 | 116.3 Ų | 116.3 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -70.1 | 128.5 | 171.5 | -58.8 | 0 | 0 | 0 | 0 | 107.7 | H20 T24 | H20-S22 PolarHBondContact O-N 3.04Å; S22-T24 PolarHBondContact O-N 3.4Å |
| 23 | P | 69 | Low | 69.5 | Low | 69 Ų | 69 | 117.1 Ų | 117.1 | 45% | 0.448 | 69% | 0.686 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 133.3 | -177.3 | 22.9 | -33.1 | 0 | 0 | 0 | 110.3 | E27 L28 | P23-E27 VanDerWaalsContact CA-OE2 3.29Å; P23-E27 WeakPolarHBondContact CA-OE2 3.45Å; P23-E27 HydrophobicContact CB-CB 3.98Å; P23-L28 HydrophobicContact CB-CD2 4.13Å; P23-L28 HydrophobicContact CB-CG 4.23Å; P23-L28 HydrophobicContact CG-CD2 3.8Å; P23-L28 HydrophobicContact CG-CG 4.25Å |
| 24 | T | 77 | Confident | 69.5 | Low | 69 Ų | 69 | 115.2 Ų | 115.2 | 42% | 0.423 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 157.4 | 175.1 | 59.4 | 0 | 0 | 0 | 0 | 110.7 | S22 S26 E27 L28 | S22-T24 PolarHBondContact O-N 3.4Å; T24-S26 PolarHBondContact O-N 3.14Å; T24-S26 VanDerWaalsContact O-N 3.11Å; T24-E27 WeakPolarHBondContact CG2-OE1 3.33Å; T24-E27 PolarHBondContact N-OE1 3.27Å; T24-E27 WeakPolarHBondContact O-CA 3.43Å; T24-E27 WeakPolarHBondContact O-CB 3.29Å; T24-E27 PolarHBondContact O-N 3.49Å; T24-E27 VanDerWaalsContact OG1-CD 3.29Å; T24-E27 WeakPolarHBondContact OG1-CG 3.38Å; T24-E27 PolarHBondContact OG1-N 3.42Å; T24-E27 PolarHBondContact OG1-OE1 2.89Å; T24-L28 PolarHBondContact O-N 2.92Å |
| 25 | L | 71.9 | Confident | 69.4 | Low | 144 Ų | 144 | 114.3 Ų | 114.3 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -55.2 | -30.5 | 173.4 | -75.5 | 171.7 | 0 | 0 | 0 | 112 | L28 T29 | L25-L28 HydrophobicContact CD2-CD1 4.26Å; L25-L28 PolarHBondContact O-N 3.11Å; L25-T29 WeakPolarHBondContact O-CG2 3.42Å; L25-T29 PolarHBondContact O-N 2.74Å; L25-T29 VanDerWaalsContact O-N 3.14Å; L25-T29 PolarHBondContact O-OG1 3.34Å |
| 26 | S | 75.7 | Confident | 68.7 | Low | 88 Ų | 88 | 117.5 Ų | 117.5 | 62% | 0.615 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65.8 | -39 | 172.6 | -54.8 | 0 | 0 | 0 | 0 | 112.7 | T24 T29 A30 | T24-S26 PolarHBondContact O-N 3.14Å; T24-S26 VanDerWaalsContact O-N 3.11Å; S26-T29 WeakPolarHBondContact CA-OG1 3.32Å; S26-T29 PolarHBondContact O-N 3.05Å; S26-T29 PolarHBondContact O-OG1 3.1Å; S26-A30 PolarHBondContact O-N 2.84Å |
| 27 | E | 72.4 | Confident | 68.2 | Low | 106 Ų | 106 | 117.8 Ų | 117.8 | 50% | 0.495 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -72.8 | -32.7 | 174.9 | -72.9 | 158.5 | -123.4 | 0 | 0 | 112.5 | P23 T24 T29 | P23-E27 VanDerWaalsContact CA-OE2 3.29Å; P23-E27 WeakPolarHBondContact CA-OE2 3.45Å; P23-E27 HydrophobicContact CB-CB 3.98Å; T24-E27 WeakPolarHBondContact CG2-OE1 3.33Å; T24-E27 PolarHBondContact N-OE1 3.27Å; T24-E27 WeakPolarHBondContact O-CA 3.43Å; T24-E27 WeakPolarHBondContact O-CB 3.29Å; T24-E27 PolarHBondContact O-N 3.49Å; T24-E27 VanDerWaalsContact OG1-CD 3.29Å; T24-E27 WeakPolarHBondContact OG1-CG 3.38Å; T24-E27 PolarHBondContact OG1-N 3.42Å; T24-E27 PolarHBondContact OG1-OE1 2.89Å; E27-T29 PolarHBondContact O-N 3.39Å |
| 28 | L | 72.6 | Confident | 67.8 | Low | 117 Ų | 117 | 124.3 Ų | 124.3 | 61% | 0.613 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69.6 | -21.7 | 174 | -68.3 | 174.4 | 0 | 0 | 0 | 112.8 | P23 T24 L25 | P23-L28 HydrophobicContact CB-CD2 4.13Å; P23-L28 HydrophobicContact CB-CG 4.23Å; P23-L28 HydrophobicContact CG-CD2 3.8Å; P23-L28 HydrophobicContact CG-CG 4.25Å; T24-L28 PolarHBondContact O-N 2.92Å; L25-L28 HydrophobicContact CD2-CD1 4.26Å; L25-L28 PolarHBondContact O-N 3.11Å |
| 29 | T | 71.4 | Confident | 67.5 | Low | 114 Ų | 114 | 119.7 Ų | 119.7 | 70% | 0.699 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -103.5 | -14 | -179 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | L25 S26 E27 | L25-T29 WeakPolarHBondContact O-CG2 3.42Å; L25-T29 PolarHBondContact O-N 2.74Å; L25-T29 VanDerWaalsContact O-N 3.14Å; L25-T29 PolarHBondContact O-OG1 3.34Å; S26-T29 WeakPolarHBondContact CA-OG1 3.32Å; S26-T29 PolarHBondContact O-N 3.05Å; S26-T29 PolarHBondContact O-OG1 3.1Å; E27-T29 PolarHBondContact O-N 3.39Å |
| 30 | A | 74.2 | Confident | 67 | Low | 56 Ų | 56 | 129.2 Ų | 129.2 | 46% | 0.463 | 70% | 0.697 | S | S | . | * | S | Bend | trans | -74.7 | 128 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | S26 | S26-A30 PolarHBondContact O-N 2.84Š|
| 31 | P | 71.4 | Confident | 66.6 | Low | 113 Ų | 113 | 130.1 Ų | 130.1 | 73% | 0.734 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 134.3 | 174.7 | 24.3 | -31.2 | 0 | 0 | 0 | 109.3 | M33 | P31-M33 PolarHBondContact O-N 3.28Å; P31-M33 VanDerWaalsContact O-N 3.14Å |
| 32 | P | 68.6 | Low | 66 | Low | 119 Ų | 119 | 127.6 Ų | 127.6 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -60 | 121.1 | -176.5 | 22.6 | -32.2 | 0 | 0 | 0 | 110.1 | T34 | P32-T34 PolarHBondContact O-N 2.75Š|
| 33 | M | 65.2 | Low | 65.3 | Low | 181 Ų | 181 | 126.9 Ų | 126.9 | 89% | 0.892 | 71% | 0.705 | S | S | * | * | | | trans | -67.1 | 107.3 | 175.2 | -72.6 | -154.6 | -69.4 | 0 | 0 | 109.2 | P31 T35 | P31-M33 PolarHBondContact O-N 3.28Å; P31-M33 VanDerWaalsContact O-N 3.14Å; M33-T35 PolarHBondContact O-N 3.25Å; M33-T35 VanDerWaalsContact O-N 3.1Å |
| 34 | T | 70.4 | Confident | 64.8 | Low | 115 Ų | 115 | 129.9 Ų | 129.9 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | | | trans | -69.3 | 106.6 | -179.4 | 55.6 | 0 | 0 | 0 | 0 | 109.9 | P32 H36 | P32-T34 PolarHBondContact O-N 2.75Å; T34-H36 PolarHBondContact O-N 3.23Å |
| 35 | T | 66.3 | Low | 64 | Low | 118 Ų | 118 | 134.7 Ų | 134.7 | 72% | 0.724 | 73% | 0.734 | S | S | * | * | | | trans | -84.3 | 111.7 | 168.9 | 51.5 | 0 | 0 | 0 | 0 | 108.5 | M33 Q37 | M33-T35 PolarHBondContact O-N 3.25Å; M33-T35 VanDerWaalsContact O-N 3.1Å; T35-Q37 PolarHBondContact O-N 2.87Å |
| 36 | H | 53.1 | Low | 63.5 | Low | 173 Ų | 173 | 131.6 Ų | 131.6 | 80% | 0.801 | 72% | 0.723 | S | S | * | * | | | trans | -70.1 | 81.3 | 174.3 | -69.9 | -84.3 | 0 | 0 | 0 | 110 | T34 R38 | T34-H36 PolarHBondContact O-N 3.23Å; H36-R38 PolarHBondContact O-N 2.85Å |
| 37 | Q | 57.4 | Low | 63.2 | Low | 173 Ų | 173 | 131.6 Ų | 131.6 | 81% | 0.808 | 72% | 0.72 | S | S | * | * | | | trans | -74.4 | 110.9 | 159.4 | -65.6 | -160 | -1.6 | 0 | 0 | 107.6 | T35 G39 | T35-Q37 PolarHBondContact O-N 2.87Å; Q37-G39 VanDerWaalsContact C-N 3.26Å; Q37-G39 PolarHBondContact O-N 2.88Å |
| 38 | R | 57.2 | Low | 63.2 | Low | 259 Ų | 259 | 132.1 Ų | 132.1 | 98% | 0.977 | 72% | 0.721 | S | S | * | * | | | trans | -61.3 | 94.3 | 164.9 | -75.2 | -178.8 | -168.4 | 175.2 | 4.1 | 107.8 | H36 | H36-R38 PolarHBondContact O-N 2.85Š|
| 39 | G | 54.4 | Low | 63.5 | Low | 59 Ų | 59 | 129.4 Ų | 129.4 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | | | trans | -168.2 | 90.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q37 Q41 | Q37-G39 VanDerWaalsContact C-N 3.26Å; Q37-G39 PolarHBondContact O-N 2.88Å; G39-Q41 VanDerWaalsContact C-N 3.31Å; G39-Q41 PolarHBondContact O-N 3.22Å |
| 40 | R | 54.6 | Low | 64 | Low | 263 Ų | 263 | 129.5 Ų | 129.5 | 99% | 0.992 | 71% | 0.71 | S | S | * | * | | | trans | -70.2 | 77.3 | -173.6 | -156.8 | -179.7 | -163.4 | 179 | 3.8 | 110 | | |
| 41 | Q | 56.2 | Low | 64.3 | Low | 197 Ų | 197 | 133.4 Ų | 133.4 | 92% | 0.921 | 71% | 0.713 | S | S | * | * | | | trans | -141.5 | 91.2 | -177.2 | -155.1 | 169 | 63.5 | 0 | 0 | 109.5 | G39 | G39-Q41 VanDerWaalsContact C-N 3.31Å; G39-Q41 PolarHBondContact O-N 3.22Å |
| 42 | G | 54.6 | Low | 64.9 | Low | 68 Ų | 68 | 133.4 Ų | 133.4 | 70% | 0.701 | 70% | 0.699 | S | S | * | * | | | trans | 166.2 | 17.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 43 | G | 57.1 | Low | 65.7 | Low | 64 Ų | 64 | 131.8 Ų | 131.8 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -105.5 | 82.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 44 | D | 59.4 | Low | 66.5 | Low | 131 Ų | 131 | 127 Ų | 127 | 70% | 0.701 | 67% | 0.668 | S | S | * | * | | | | 44.8 | 94.1 | 124 | -44.4 | -39.1 | 0 | 0 | 0 | 111.6 | P46 | D44-P46 WeakPolarHBondContact O-CD 2.95Š|
| 45 | H | 60.1 | Low | 67 | Low | 170 Ų | 170 | 128.7 Ų | 128.7 | 79% | 0.787 | 66% | 0.661 | S | S | * | * | S | Bend | | 70.8 | -24.3 | 58.3 | -128.7 | -114.4 | 0 | 0 | 0 | 119.1 | | |
| 46 | P | 60.5 | Low | 67.8 | Low | 79 Ų | 79 | 131.4 Ų | 131.4 | 51% | 0.513 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -81.7 | -24.8 | 172.9 | 30.1 | -24.6 | 0 | 0 | 0 | 112.8 | D44 F48 A49 L50 | D44-P46 WeakPolarHBondContact O-CD 2.95Å; P46-F48 VanDerWaalsContact C-N 3.25Å; P46-F48 PolarHBondContact O-N 3.48Å; P46-A49 PolarHBondContact O-N 3.3Å; P46-L50 PolarHBondContact O-N 2.84Å |
| 47 | T | 69.3 | Low | 69 | Low | 89 Ų | 89 | 129 Ų | 129 | 55% | 0.546 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -67.1 | -25.9 | 179.1 | -45.5 | 0 | 0 | 0 | 0 | 112.6 | R51 | T47-R51 HydrophobicContact CG2-CG 4.2Å; T47-R51 VanDerWaalsContact O-CB 3.28Å; T47-R51 WeakPolarHBondContact O-CB 3.28Å; T47-R51 VanDerWaalsContact O-CG 3.23Å; T47-R51 WeakPolarHBondContact O-CG 3.4Å; T47-R51 PolarHBondContact O-N 2.86Å |
| 48 | F | 73.7 | Confident | 69.7 | Low | 117 Ų | 117 | 130.5 Ų | 130.5 | 51% | 0.513 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -66.1 | -46 | 178.1 | -179.8 | -95.6 | 0 | 0 | 0 | 111.7 | P46 R51 W52 | P46-F48 VanDerWaalsContact C-N 3.25Å; P46-F48 PolarHBondContact O-N 3.48Å; F48-R51 PolarHBondContact O-N 3.23Å; F48-W52 VanDerWaalsContact O-CB 3.28Å; F48-W52 WeakPolarHBondContact O-CB 3.23Å; F48-W52 PolarHBondContact O-N 3.41Å |
| 49 | A | 79.1 | Confident | 70.3 | Confident | 60 Ų | 60 | 121.2 Ų | 121.2 | 50% | 0.496 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.8 | -46 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P46 W52 L53 | P46-A49 PolarHBondContact O-N 3.3Å; A49-W52 PolarHBondContact O-N 3.37Å; A49-L53 WeakPolarHBondContact O-CB 3.44Å; A49-L53 PolarHBondContact O-N 3.02Å |
| 50 | L | 80.7 | Confident | 71 | Confident | 115 Ų | 115 | 124.5 Ų | 124.5 | 60% | 0.602 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -58.7 | -48.8 | 174.5 | -82.4 | 149.3 | 0 | 0 | 0 | 111.6 | P46 W52 L53 S54 | P46-L50 PolarHBondContact O-N 2.84Å; L50-W52 VanDerWaalsContact C-N 3.29Å; L50-W52 PolarHBondContact O-N 3.27Å; L50-L53 PolarHBondContact O-N 3.36Å; L50-S54 PolarHBondContact O-N 3.48Å; L50-S54 PolarHBondContact O-OG 3.05Å |
| 51 | R | 80.7 | Confident | 71.6 | Confident | 138 Ų | 138 | 119.5 Ų | 119.5 | 52% | 0.521 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64 | -32.4 | 177.2 | -75.6 | 178.4 | 66.1 | -122.9 | 3.4 | 113.2 | T47 F48 R55 | T47-R51 HydrophobicContact CG2-CG 4.2Å; T47-R51 VanDerWaalsContact O-CB 3.28Å; T47-R51 WeakPolarHBondContact O-CB 3.28Å; T47-R51 VanDerWaalsContact O-CG 3.23Å; T47-R51 WeakPolarHBondContact O-CG 3.4Å; T47-R51 PolarHBondContact O-N 2.86Å; F48-R51 PolarHBondContact O-N 3.23Å; R51-R55 WeakPolarHBondContact O-CG 3.28Å; R51-R55 PolarHBondContact O-N 3.02Å; R51-R55 PolarHBondContact O-NE 2.93Å |
| 52 | W | 85 | Confident | 72.1 | Confident | 114 Ų | 114 | 115.3 Ų | 115.3 | 43% | 0.432 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -70.9 | -44.8 | 175.4 | 179.3 | 91.9 | 0 | 0 | 0 | 111.1 | F48 A49 L50 R55 R56 | F48-W52 VanDerWaalsContact O-CB 3.28Å; F48-W52 WeakPolarHBondContact O-CB 3.23Å; F48-W52 PolarHBondContact O-N 3.41Å; A49-W52 PolarHBondContact O-N 3.37Å; L50-W52 VanDerWaalsContact C-N 3.29Å; L50-W52 PolarHBondContact O-N 3.27Å; W52-R55 PolarHBondContact O-N 3.2Å; W52-R56 VanDerWaalsContact CE2-NE 3.33Å; W52-R56 PolarHBondContact O-N 3.32Å |
| 53 | L | 85.4 | Confident | 72.5 | Confident | 84 Ų | 84 | 117.5 Ų | 117.5 | 44% | 0.44 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.3 | -46.9 | 178.5 | -175.3 | 64.2 | 0 | 0 | 0 | 111.8 | A49 L50 R55 R56 L57 | A49-L53 WeakPolarHBondContact O-CB 3.44Å; A49-L53 PolarHBondContact O-N 3.02Å; L50-L53 PolarHBondContact O-N 3.36Å; L53-R55 PolarHBondContact O-N 3.33Å; L53-R56 PolarHBondContact O-N 2.9Å; L53-L57 HydrophobicContact CD1-CD1 3.83Å; L53-L57 HydrophobicContact CD1-CG 3.98Å; L53-L57 HydrophobicContact CD2-CD1 4.28Å; L53-L57 HydrophobicContact CG-CD1 3.73Å; L53-L57 HydrophobicContact CG-CG 4.22Å; L53-L57 WeakPolarHBondContact O-CG 3.12Å; L53-L57 PolarHBondContact O-N 3.06Å |
| 54 | S | 81.9 | Confident | 72.8 | Confident | 82 Ų | 82 | 120 Ų | 120 | 57% | 0.573 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.7 | -32 | 178.6 | -55.4 | 0 | 0 | 0 | 0 | 113 | L50 R58 | L50-S54 PolarHBondContact O-N 3.48Å; L50-S54 PolarHBondContact O-OG 3.05Å; S54-R58 PolarHBondContact O-N 3.24Å |
| 55 | R | 80.8 | Confident | 73.1 | Confident | 150 Ų | 150 | 117.4 Ų | 117.4 | 57% | 0.566 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.2 | -35.7 | 175.4 | -78.6 | -176.9 | -74.4 | -170.8 | 3.3 | 112.5 | R51 W52 L53 | R51-R55 WeakPolarHBondContact O-CG 3.28Å; R51-R55 PolarHBondContact O-N 3.02Å; R51-R55 PolarHBondContact O-NE 2.93Å; W52-R55 PolarHBondContact O-N 3.2Å; L53-R55 PolarHBondContact O-N 3.33Å |
| 56 | R | 81.7 | Confident | 73 | Confident | 174 Ų | 174 | 112.7 Ų | 112.7 | 66% | 0.657 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -75.8 | -33.7 | 177.5 | -74.8 | -167.2 | 166.9 | -154.3 | 0.3 | 113.3 | W52 L53 R58 | W52-R56 VanDerWaalsContact CE2-NE 3.33Å; W52-R56 PolarHBondContact O-N 3.32Å; L53-R56 PolarHBondContact O-N 2.9Å; R56-R58 VanDerWaalsContact C-N 3.35Å |
| 57 | L | 78.8 | Confident | 73 | Confident | 123 Ų | 123 | 114.2 Ų | 114.2 | 64% | 0.644 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -84.7 | -4.7 | 180 | -66.8 | -179.9 | 0 | 0 | 0 | 113.8 | L53 P59 | L53-L57 HydrophobicContact CD1-CD1 3.83Å; L53-L57 HydrophobicContact CD1-CG 3.98Å; L53-L57 HydrophobicContact CD2-CD1 4.28Å; L53-L57 HydrophobicContact CG-CD1 3.73Å; L53-L57 HydrophobicContact CG-CG 4.22Å; L53-L57 WeakPolarHBondContact O-CG 3.12Å; L53-L57 PolarHBondContact O-N 3.06Å; L57-P59 WeakPolarHBondContact O-CD 3.47Å; L57-P59 VanDerWaalsContact O-N 3.07Å |
| 58 | R | 73.5 | Confident | 73 | Confident | 205 Ų | 205 | 116.8 Ų | 116.8 | 77% | 0.774 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -60.6 | 114 | 174.1 | 178.3 | 176.6 | -91.9 | -173.5 | -7.3 | 107.9 | S54 R56 S60 | S54-R58 PolarHBondContact O-N 3.24Å; R56-R58 VanDerWaalsContact C-N 3.35Å; R58-S60 PolarHBondContact O-N 3.45Å |
| 59 | P | 68.9 | Low | 72.4 | Confident | 64 Ų | 64 | 114.3 Ų | 114.3 | 42% | 0.416 | 63% | 0.625 | S | S | . | * | | | trans | -57.3 | 126.4 | 176.4 | -20.4 | 32.9 | 0 | 0 | 0 | 108.5 | L57 Y61 I63 | L57-P59 WeakPolarHBondContact O-CD 3.47Å; L57-P59 VanDerWaalsContact O-N 3.07Å; P59-Y61 HydrophobicContact CB-CD1 4.31Å; P59-Y61 HydrophobicContact CB-CE1 4.05Å; P59-Y61 HydrophobicContact CB-CE2 4.47Å; P59-Y61 PolarHBondContact O-N 3.2Å; P59-I63 HydrophobicContact CG-CD1 4.27Å |
| 60 | S | 69.9 | Low | 71.5 | Confident | 127 Ų | 127 | 121.3 Ų | 121.3 | 89% | 0.888 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -78.9 | -4.7 | 177.9 | 45.4 | 0 | 0 | 0 | 0 | 112.9 | R58 | R58-S60 PolarHBondContact O-N 3.45Š|
| 61 | Y | 66.9 | Low | 70.6 | Confident | 158 Ų | 158 | 121.1 Ų | 121.1 | 62% | 0.62 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -107.1 | 141.5 | 175.6 | 57.2 | -89.9 | 0 | 0 | 0 | 110.3 | P59 I63 | P59-Y61 HydrophobicContact CB-CD1 4.31Å; P59-Y61 HydrophobicContact CB-CE1 4.05Å; P59-Y61 HydrophobicContact CB-CE2 4.47Å; P59-Y61 PolarHBondContact O-N 3.2Å; Y61-I63 HydrophobicContact CE2-CG1 4.29Å; Y61-I63 PolarHBondContact O-N 3.15Å; Y61-I63 VanDerWaalsContact O-N 3.16Å |
| 62 | P | 66.1 | Low | 69.5 | Low | 110 Ų | 110 | 120.2 Ų | 120.2 | 71% | 0.714 | 66% | 0.657 | S | S | * | * | | | trans | -62.4 | 119.4 | 174.5 | 25.5 | -31.7 | 0 | 0 | 0 | 109 | T64 | P62-T64 VanDerWaalsContact C-N 3.31Å; P62-T64 PolarHBondContact O-N 2.86Å |
| 63 | I | 63.6 | Low | 68.4 | Low | 114 Ų | 114 | 122.6 Ų | 122.6 | 59% | 0.585 | 68% | 0.677 | S | S | * | * | | | trans | -71 | 95.9 | 163.7 | -59.6 | 173.7 | 0 | 0 | 0 | 105.4 | P59 Y61 A65 | P59-I63 HydrophobicContact CG-CD1 4.27Å; Y61-I63 HydrophobicContact CE2-CG1 4.29Å; Y61-I63 PolarHBondContact O-N 3.15Å; Y61-I63 VanDerWaalsContact O-N 3.16Å; I63-A65 VanDerWaalsContact C-N 3.29Å; I63-A65 PolarHBondContact O-N 2.9Å |
| 64 | T | 62.9 | Low | 66.8 | Low | 115 Ų | 115 | 133.4 Ų | 133.4 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | | | trans | -72.6 | 89.4 | 170 | 44.3 | 0 | 0 | 0 | 0 | 108 | P62 S66 | P62-T64 VanDerWaalsContact C-N 3.31Å; P62-T64 PolarHBondContact O-N 2.86Å; T64-S66 PolarHBondContact O-N 3.15Å; T64-S66 VanDerWaalsContact O-N 3.15Å |
| 65 | A | 64.5 | Low | 66 | Low | 78 Ų | 78 | 136 Ų | 136 | 65% | 0.645 | 72% | 0.719 | S | S | * | * | | | trans | -61.8 | 114 | 161.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | I63 | I63-A65 VanDerWaalsContact C-N 3.29Å; I63-A65 PolarHBondContact O-N 2.9Å |
| 66 | S | 59.3 | Low | 65.3 | Low | 70 Ų | 70 | 135.3 Ų | 135.3 | 49% | 0.49 | 73% | 0.727 | S | S | . | * | | | trans | -61.6 | 144.9 | 171.5 | -72.3 | 0 | 0 | 0 | 0 | 108.9 | T64 D68 G69 | T64-S66 PolarHBondContact O-N 3.15Å; T64-S66 VanDerWaalsContact O-N 3.15Å; S66-D68 PolarHBondContact O-N 2.98Å; S66-G69 PolarHBondContact O-N 3.01Å |
| 67 | A | 61 | Low | 64.4 | Low | 111 Ų | 111 | 133.1 Ų | 133.1 | 92% | 0.917 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -18.8 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 68 | D | 68.4 | Low | 63.5 | Low | 143 Ų | 143 | 133.7 Ų | 133.7 | 77% | 0.765 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 9.2 | 177.5 | -52.9 | -45.4 | 0 | 0 | 0 | 114.5 | S66 R70 | S66-D68 PolarHBondContact O-N 2.98Å; D68-R70 VanDerWaalsContact C-N 3.26Å; D68-R70 PolarHBondContact O-N 3.16Å; D68-R70 VanDerWaalsContact O-N 3.15Å |
| 69 | G | 60.5 | Low | 62.9 | Low | 66 Ų | 66 | 129.3 Ų | 129.3 | 68% | 0.68 | 73% | 0.733 | S | S | * | * | | | trans | 71.1 | 6.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | S66 | S66-G69 PolarHBondContact O-N 3.01Š|
| 70 | R | 60.4 | Low | 62.5 | Low | 206 Ų | 206 | 133.6 Ų | 133.6 | 78% | 0.777 | 76% | 0.755 | S | S | * | * | | | trans | -91.3 | 111.7 | 178 | -62.1 | -179.8 | 87.8 | 157.9 | 4.1 | 111 | D68 | D68-R70 VanDerWaalsContact C-N 3.26Å; D68-R70 PolarHBondContact O-N 3.16Å; D68-R70 VanDerWaalsContact O-N 3.15Å |
| 71 | T | 61.7 | Low | 62 | Low | 111 Ų | 111 | 134.1 Ų | 134.1 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | | | trans | -94.3 | 102.3 | 160.1 | 44.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 72 | S | 57.1 | Low | 61.6 | Low | 119 Ų | 119 | 132.2 Ų | 132.2 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | | | trans | -95.4 | 121.2 | 170.3 | 48.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 73 | I | 61.9 | Low | 61.2 | Low | 165 Ų | 165 | 134.1 Ų | 134.1 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | | | trans | -89.1 | 129.4 | 170.9 | -58.8 | 170.4 | 0 | 0 | 0 | 106.4 | | |
| 74 | R | 52.9 | Low | 61 | Low | 311 Ų | 311 | 135.9 Ų | 135.9 | 100% | 1.174 | 77% | 0.774 | S | S | * | * | | | trans | -86.5 | 0 | 158.4 | -80.5 | -170.1 | -76.7 | -125.4 | -1.5 | 108.6 | | |