| 1 | M | 45.5 | Very low | 59.6 | Low | 249 Ų | 249 | 163.4 Ų | 163.4 | 100% | 1.227 | 81% | 0.805 | S | S | * | * | | | | 0 | 100.4 | 0 | -73.3 | 169 | -172.9 | 0 | 0 | 107.9 | | |
| 2 | S | 47.2 | Very low | 60.6 | Low | 125 Ų | 125 | 161.4 Ų | 161.4 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92 | 130.2 | -175.1 | -59.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 3 | A | 59.4 | Low | 62 | Low | 87 Ų | 87 | 155.8 Ų | 155.8 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 143.9 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | R5 | A3-R5 VanDerWaalsContact O-N 3.15Å; A3-R5 PolarHBondContact O-N 3.33Å |
| 4 | P | 62.6 | Low | 63 | Low | 126 Ų | 126 | 151.4 Ų | 151.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 120.7 | -179.2 | 24 | -32.4 | 0 | 0 | 0 | 109.9 | R6 | P4-R6 PolarHBondContact O-N 3.38Š|
| 5 | R | 67.6 | Low | 64.1 | Low | 240 Ų | 240 | 145.5 Ų | 145.5 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | | | trans | -51.9 | 114.6 | 175.5 | -70.2 | 178 | 176.8 | -122.9 | -0.1 | 107.9 | A3 R7 | A3-R5 VanDerWaalsContact O-N 3.15Å; A3-R5 PolarHBondContact O-N 3.33Å; R5-R7 PolarHBondContact O-N 2.96Å |
| 6 | R | 56.4 | Low | 64.9 | Low | 214 Ų | 214 | 141 Ų | 141 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | | | trans | -45.7 | 110.3 | 170.4 | -73.3 | -174.3 | 174.9 | -165.1 | -0.7 | 106.7 | P4 C8 | P4-R6 PolarHBondContact O-N 3.38Å; R6-C8 PolarHBondContact O-N 3.01Å; R6-C8 PolarHBondContact O-SG 3.11Å |
| 7 | R | 63.3 | Low | 65.7 | Low | 243 Ų | 243 | 140.2 Ų | 140.2 | 92% | 0.917 | 71% | 0.712 | S | S | * | * | | | trans | -65.3 | 90.2 | 171.4 | -155 | 177.8 | -157.1 | 176 | 5.6 | 103.9 | R5 H9 | R5-R7 PolarHBondContact O-N 2.96Å; R7-H9 PolarHBondContact O-N 3.5Å |
| 8 | C | 63.3 | Low | 66.2 | Low | 100 Ų | 100 | 143.6 Ų | 143.6 | 68% | 0.676 | 71% | 0.714 | S | S | * | * | | | trans | -60.5 | 94.6 | -177.4 | -68.3 | 0 | 0 | 0 | 0 | 107.7 | R6 | R6-C8 PolarHBondContact O-N 3.01Å; R6-C8 PolarHBondContact O-SG 3.11Å |
| 9 | H | 56.7 | Low | 66.9 | Low | 154 Ų | 154 | 139.8 Ų | 139.8 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | | | trans | 36.8 | 89.2 | 143.6 | -55.6 | -85.2 | 0 | 0 | 0 | 114.3 | R7 P11 | R7-H9 PolarHBondContact O-N 3.5Å; H9-P11 HydrophobicContact CB-CG 4.26Å; H9-P11 VanDerWaalsContact O-CD 3.3Å; H9-P11 WeakPolarHBondContact O-CD 3.42Å |
| 10 | R | 66.7 | Low | 67.2 | Low | 176 Ų | 176 | 141.2 Ų | 141.2 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | | | trans | -97.2 | 26.9 | 157 | -65.3 | -117.1 | 179.5 | 151.1 | 0.6 | 114 | L12 Q13 V14 | R10-L12 PolarHBondContact O-N 3.15Å; R10-Q13 PolarHBondContact O-N 3.47Å; R10-V14 PolarHBondContact O-N 3.28Å |
| 11 | P | 67.2 | Low | 67.3 | Low | 83 Ų | 83 | 141 Ų | 141 | 54% | 0.539 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -64.5 | -29.5 | -175.5 | 31 | -35.4 | 0 | 0 | 0 | 111.5 | H9 V14 A15 | H9-P11 HydrophobicContact CB-CG 4.26Å; H9-P11 VanDerWaalsContact O-CD 3.3Å; H9-P11 WeakPolarHBondContact O-CD 3.42Å; P11-V14 PolarHBondContact O-N 3.2Å; P11-A15 WeakPolarHBondContact O-CB 3.3Å; P11-A15 PolarHBondContact O-N 3.18Å |
| 12 | L | 71.5 | Confident | 68.3 | Low | 140 Ų | 140 | 138.3 Ų | 138.3 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -61.7 | -46.5 | 178.5 | -166.5 | 109.3 | 0 | 0 | 0 | 111.9 | R10 A15 V16 | R10-L12 PolarHBondContact O-N 3.15Å; L12-A15 PolarHBondContact O-N 3.47Å; L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 VanDerWaalsContact O-N 3.1Å; L12-V16 PolarHBondContact O-N 3.34Å; L12-V16 WeakPolarHBondContact O-CG2 3.24Å |
| 13 | Q | 79 | Confident | 69.2 | Low | 88 Ų | 88 | 135.6 Ų | 135.6 | 41% | 0.411 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -63.7 | -45 | 177.9 | -71.1 | -174.8 | -18.8 | 0 | 0 | 110.8 | R10 A15 V16 F17 | R10-Q13 PolarHBondContact O-N 3.47Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 3.4Å; Q13-V16 PolarHBondContact O-N 3.47Å; Q13-F17 HydrophobicContact CB-CD2 4.36Å; Q13-F17 HydrophobicContact CB-CE2 4.15Å; Q13-F17 WeakPolarHBondContact O-CD2 2.97Å; Q13-F17 PolarHBondContact O-N 3.3Å |
| 14 | V | 75.3 | Confident | 69.3 | Low | 95 Ų | 95 | 136.2 Ų | 136.2 | 58% | 0.576 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -60.6 | -42.5 | 179.3 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | R10 P11 F17 R18 | R10-V14 PolarHBondContact O-N 3.28Å; P11-V14 PolarHBondContact O-N 3.2Å; V14-F17 PolarHBondContact O-N 3.41Å; V14-R18 WeakPolarHBondContact O-CB 3.09Å; V14-R18 PolarHBondContact O-N 3.39Å |
| 15 | A | 79.5 | Confident | 69.4 | Low | 62 Ų | 62 | 132.5 Ų | 132.5 | 51% | 0.512 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -62.5 | -43.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | P11 L12 Q13 R18 A19 | P11-A15 WeakPolarHBondContact O-CB 3.3Å; P11-A15 PolarHBondContact O-N 3.18Å; L12-A15 PolarHBondContact O-N 3.47Å; Q13-A15 VanDerWaalsContact C-N 3.34Å; Q13-A15 PolarHBondContact O-N 3.4Å; A15-R18 PolarHBondContact O-N 3.43Å; A15-A19 VanDerWaalsContact O-N 3.11Å; A15-A19 PolarHBondContact O-N 2.94Å |
| 16 | V | 77.3 | Confident | 69.2 | Low | 74 Ų | 74 | 132 Ų | 132 | 45% | 0.448 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -60.6 | -51.3 | 175.9 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | L12 Q13 R18 A19 F20 | L12-V16 VanDerWaalsContact O-CG2 3.3Å; L12-V16 VanDerWaalsContact O-N 3.1Å; L12-V16 PolarHBondContact O-N 3.34Å; L12-V16 WeakPolarHBondContact O-CG2 3.24Å; Q13-V16 PolarHBondContact O-N 3.47Å; V16-R18 VanDerWaalsContact C-N 3.27Å; V16-R18 PolarHBondContact O-N 3.44Å; V16-A19 PolarHBondContact O-N 3.48Å; V16-F20 HydrophobicContact CG1-CD2 4.08Å; V16-F20 HydrophobicContact CG1-CE2 3.88Å; V16-F20 VanDerWaalsContact O-CD2 3.24Å; V16-F20 WeakPolarHBondContact O-CD2 3.4Å; V16-F20 PolarHBondContact O-N 3.11Å |
| 17 | F | 79.1 | Confident | 69.4 | Low | 127 Ų | 127 | 131.8 Ų | 131.8 | 56% | 0.557 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -58.3 | -38.9 | 177.6 | -74.2 | -67.8 | 0 | 0 | 0 | 112.5 | Q13 V14 A19 F20 Q21 | Q13-F17 HydrophobicContact CB-CD2 4.36Å; Q13-F17 HydrophobicContact CB-CE2 4.15Å; Q13-F17 WeakPolarHBondContact O-CD2 2.97Å; Q13-F17 PolarHBondContact O-N 3.3Å; V14-F17 PolarHBondContact O-N 3.41Å; F17-A19 PolarHBondContact O-N 3.1Å; F17-F20 PolarHBondContact O-N 3.23Å; F17-Q21 VanDerWaalsContact O-CG 3.26Å; F17-Q21 WeakPolarHBondContact O-CG 3.26Å; F17-Q21 PolarHBondContact O-N 3.33Å |
| 18 | R | 73.8 | Confident | 69.4 | Low | 201 Ų | 201 | 123.3 Ų | 123.3 | 76% | 0.758 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -65.9 | -36.2 | 179.9 | -144.4 | -176.9 | -168.4 | 172.6 | 2.6 | 112.6 | V14 A15 V16 | V14-R18 WeakPolarHBondContact O-CB 3.09Å; V14-R18 PolarHBondContact O-N 3.39Å; A15-R18 PolarHBondContact O-N 3.43Å; V16-R18 VanDerWaalsContact C-N 3.27Å; V16-R18 PolarHBondContact O-N 3.44Å |
| 19 | A | 79.4 | Confident | 69.3 | Low | 73 Ų | 73 | 124.6 Ų | 124.6 | 60% | 0.603 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66 | -40.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A15 V16 F17 | A15-A19 VanDerWaalsContact O-N 3.11Å; A15-A19 PolarHBondContact O-N 2.94Å; V16-A19 PolarHBondContact O-N 3.48Å; F17-A19 PolarHBondContact O-N 3.1Å |
| 20 | F | 72.4 | Confident | 69.6 | Low | 167 Ų | 167 | 121.1 Ų | 121.1 | 73% | 0.732 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.7 | -24.8 | -179.7 | -71.6 | -79.5 | 0 | 0 | 0 | 113.7 | V16 F17 F22 | V16-F20 HydrophobicContact CG1-CD2 4.08Å; V16-F20 HydrophobicContact CG1-CE2 3.88Å; V16-F20 VanDerWaalsContact O-CD2 3.24Å; V16-F20 WeakPolarHBondContact O-CD2 3.4Å; V16-F20 PolarHBondContact O-N 3.11Å; F17-F20 PolarHBondContact O-N 3.23Å; F20-F22 PolarHBondContact O-N 2.96Å |
| 21 | Q | 70 | Confident | 69.3 | Low | 138 Ų | 138 | 123.4 Ų | 123.4 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -74.8 | -17.3 | -179 | -77.2 | 177.7 | 33 | 0 | 0 | 114.9 | F17 P24 | F17-Q21 VanDerWaalsContact O-CG 3.26Å; F17-Q21 WeakPolarHBondContact O-CG 3.26Å; F17-Q21 PolarHBondContact O-N 3.33Å; Q21-P24 WeakPolarHBondContact O-CD 3.44Å |
| 22 | F | 65.7 | Low | 68.8 | Low | 191 Ų | 191 | 127 Ų | 127 | 84% | 0.838 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | -6.6 | -175.2 | -164.6 | -102.9 | 0 | 0 | 0 | 114.6 | F20 | F20-F22 PolarHBondContact O-N 2.96Š|
| 23 | A | 67 | Low | 68.3 | Low | 68 Ų | 68 | 125 Ų | 125 | 56% | 0.562 | 64% | 0.643 | S | S | * | * | | | trans | -117 | 29.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | G25 | A23-G25 PolarHBondContact O-N 3.35Å; A23-G25 VanDerWaalsContact C-N 3.31Å |
| 24 | P | 62.5 | Low | 67.4 | Low | 100 Ų | 100 | 127.5 Ų | 127.5 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -71.9 | -22.7 | 179.6 | 29.1 | -34.8 | 0 | 0 | 0 | 113.6 | Q21 | Q21-P24 WeakPolarHBondContact O-CD 3.44Š|
| 25 | G | 64.7 | Low | 66.5 | Low | 48 Ų | 48 | 130.5 Ų | 130.5 | 50% | 0.495 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -82.8 | -22.4 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | A23 | A23-G25 PolarHBondContact O-N 3.35Å; A23-G25 VanDerWaalsContact C-N 3.31Å |
| 26 | R | 61.4 | Low | 65.6 | Low | 230 Ų | 230 | 135 Ų | 135 | 87% | 0.868 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -76.4 | -27.2 | -175.5 | -96.5 | -171 | 166.4 | -174.9 | -3.5 | 113.8 | | |
| 27 | Y | 62.2 | Low | 64.7 | Low | 209 Ų | 209 | 135.6 Ų | 135.6 | 82% | 0.82 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -80.9 | -23.1 | -179.6 | -80.7 | -80.4 | 0 | 0 | 0 | 113.9 | N29 | Y27-N29 VanDerWaalsContact C-N 3.34Å; Y27-N29 PolarHBondContact O-N 3.41Å |
| 28 | A | 63.7 | Low | 63.7 | Low | 65 Ų | 65 | 134.1 Ų | 134.1 | 54% | 0.537 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -70.7 | -29.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 29 | N | 61.2 | Low | 63 | Low | 128 Ų | 128 | 131.9 Ų | 131.9 | 68% | 0.684 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -91 | -13.9 | -169.9 | -76.8 | -10.5 | 0 | 0 | 0 | 115.2 | Y27 R31 | Y27-N29 VanDerWaalsContact C-N 3.34Å; Y27-N29 PolarHBondContact O-N 3.41Å; N29-R31 VanDerWaalsContact C-N 3.26Å; N29-R31 PolarHBondContact O-N 3.3Å |
| 30 | A | 61.1 | Low | 62.2 | Low | 80 Ų | 80 | 138.8 Ų | 138.8 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -69.4 | -23.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K32 | A30-K32 PolarHBondContact O-N 2.93Š|
| 31 | R | 60.5 | Low | 61.7 | Low | 224 Ų | 224 | 137.2 Ų | 137.2 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -81.1 | -11 | -173.9 | -154.3 | 174.7 | -173 | -140.6 | 0.9 | 114.5 | N29 | N29-R31 VanDerWaalsContact C-N 3.26Å; N29-R31 PolarHBondContact O-N 3.3Å |
| 32 | K | 58.3 | Low | 61.4 | Low | 158 Ų | 158 | 136.7 Ų | 136.7 | 69% | 0.687 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -109.8 | 10 | -171.3 | -69.6 | -166.9 | -179.9 | -175.3 | 0 | 115.9 | A30 | A30-K32 PolarHBondContact O-N 2.93Š|
| 33 | T | 59.8 | Low | 61.4 | Low | 100 Ų | 100 | 132 Ų | 132 | 61% | 0.613 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -89.4 | -6.4 | 172.5 | -158.6 | 0 | 0 | 0 | 0 | 114 | | |
| 34 | N | 59.6 | Low | 61.8 | Low | 139 Ų | 139 | 139.8 Ų | 139.8 | 74% | 0.743 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -102.2 | -5.9 | -179.8 | -140 | 3.6 | 0 | 0 | 0 | 113.4 | | |
| 35 | Q | 57.9 | Low | 62.2 | Low | 158 Ų | 158 | 142.8 Ų | 142.8 | 74% | 0.738 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -101 | -13.1 | 173.5 | -74.8 | -171.2 | 3.4 | 0 | 0 | 113.3 | S38 | Q35-S38 PolarHBondContact O-OG 3.23Å; Q35-S38 VanDerWaalsContact O-OG 3.11Å |
| 36 | Q | 60 | Low | 62.3 | Low | 156 Ų | 156 | 145.3 Ų | 145.3 | 73% | 0.729 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -89.1 | -17.2 | 173.5 | -102.2 | 173.3 | 0.3 | 0 | 0 | 113.2 | | |
| 37 | D | 57.8 | Low | 62.4 | Low | 87 Ų | 87 | 139.7 Ų | 139.7 | 47% | 0.465 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -80.8 | -15.1 | 177.3 | -97.2 | -41.9 | 0 | 0 | 0 | 114.4 | L39 R40 | D37-L39 PolarHBondContact O-N 2.71Å; D37-L39 VanDerWaalsContact O-N 3.15Å; D37-R40 PolarHBondContact O-N 3.42Å |
| 38 | S | 58.1 | Low | 62.2 | Low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -69.3 | -9.9 | 176.9 | 36.8 | 0 | 0 | 0 | 0 | 114 | Q35 | Q35-S38 PolarHBondContact O-OG 3.23Å; Q35-S38 VanDerWaalsContact O-OG 3.11Å |
| 39 | L | 60.7 | Low | 62.1 | Low | 154 Ų | 154 | 149 Ų | 149 | 81% | 0.806 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -106.1 | -6.5 | -178.6 | -73.5 | 165.9 | 0 | 0 | 0 | 114.7 | D37 | D37-L39 PolarHBondContact O-N 2.71Å; D37-L39 VanDerWaalsContact O-N 3.15Å |
| 40 | R | 62.5 | Low | 62.1 | Low | 217 Ų | 217 | 150.1 Ų | 150.1 | 82% | 0.819 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -120.2 | 13.5 | -174.3 | -71.2 | -172.8 | -176.8 | 179.4 | 1.7 | 115.7 | D37 | D37-R40 PolarHBondContact O-N 3.42Š|
| 41 | I | 60.8 | Low | 62.2 | Low | 134 Ų | 134 | 153.9 Ų | 153.9 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | | | trans | -101.5 | 64.2 | 170.2 | -44.4 | 177.6 | 0 | 0 | 0 | 109.7 | P43 | I41-P43 VanDerWaalsContact C-CD 3.48Å; I41-P43 WeakPolarHBondContact O-CD 3.3Å |
| 42 | T | 64.5 | Low | 62.3 | Low | 127 Ų | 127 | 149.8 Ų | 149.8 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | | | trans | -103.8 | 92.9 | 148.9 | 30.3 | 0 | 0 | 0 | 0 | 107.4 | W44 | T42-W44 PolarHBondContact O-N 2.75Š|
| 43 | P | 64.7 | Low | 62.6 | Low | 93 Ų | 93 | 149.3 Ų | 149.3 | 60% | 0.604 | 75% | 0.749 | S | S | * | * | | | trans | -70.5 | 96.6 | 168.5 | 28.6 | -31.6 | 0 | 0 | 0 | 108.1 | I41 H45 | I41-P43 VanDerWaalsContact C-CD 3.48Å; I41-P43 WeakPolarHBondContact O-CD 3.3Å; P43-H45 PolarHBondContact O-N 2.88Å |
| 44 | W | 75.1 | Confident | 62.7 | Low | 232 Ų | 232 | 152.6 Ų | 152.6 | 88% | 0.879 | 76% | 0.758 | S | S | * | * | | | trans | -76.1 | 68.7 | 159.3 | -163.2 | -50.1 | 0 | 0 | 0 | 107.9 | T42 S46 | T42-W44 PolarHBondContact O-N 2.75Å; W44-S46 PolarHBondContact O-N 3.15Å |
| 45 | H | 70.7 | Confident | 63 | Low | 163 Ų | 163 | 153.6 Ų | 153.6 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | -88.9 | 96.8 | 168.1 | -80.5 | 75.7 | 0 | 0 | 0 | 108.2 | P43 S47 | P43-H45 PolarHBondContact O-N 2.88Å; H45-S47 PolarHBondContact O-N 3Å |
| 46 | S | 66.9 | Low | 63.4 | Low | 101 Ų | 101 | 153.2 Ų | 153.2 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | | | trans | -57.2 | 114.2 | 160.1 | 29.2 | 0 | 0 | 0 | 0 | 109.1 | W44 | W44-S46 PolarHBondContact O-N 3.15Š|
| 47 | S | 65.1 | Low | 63.6 | Low | 112 Ų | 112 | 153 Ų | 153 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | | | trans | -122 | 103 | 164.9 | -78 | 0 | 0 | 0 | 0 | 108.2 | H45 | H45-S47 PolarHBondContact O-N 3Š|
| 48 | R | 56.6 | Low | 64.2 | Low | 319 Ų | 319 | 159 Ų | 159 | 100% | 1.204 | 79% | 0.791 | S | S | * | * | | | trans | 30.1 | 0 | 137.6 | -159.5 | -177.6 | -60.5 | -169.4 | 1.9 | 116.8 | | |