| 1 | M | 61.7 | Low | 62.5 | Low | 207 Ų | 207 | 134.3 Ų | 134.3 | 100% | 1.02 | 71% | 0.714 | S | S | * | * | | | | 0 | 115.3 | 0 | -176.1 | 165.4 | 61.9 | 0 | 0 | 106.9 | | |
| 2 | D | 68.9 | Low | 62.2 | Low | 81 Ų | 81 | 133 Ų | 133 | 43% | 0.433 | 72% | 0.719 | S | S | . | * | | | trans | -81 | 126.1 | -171.2 | -171.7 | -22.7 | 0 | 0 | 0 | 110.6 | L4 Q5 | D2-L4 PolarHBondContact OD1-N 3.25Å; D2-L4 PolarHBondContact O-N 3.24Å; D2-Q5 PolarHBondContact O-N 2.75Å; D2-Q5 HydrophobicContact CB-CG 4.11Å |
| 3 | P | 63.3 | Low | 62.2 | Low | 104 Ų | 104 | 130.5 Ų | 130.5 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -58.7 | -26.2 | 178.4 | -22.4 | 32.3 | 0 | 0 | 0 | 114.2 | Q5 K6 | P3-Q5 VanDerWaalsContact C-N 3.31Å; P3-Q5 PolarHBondContact O-N 2.78Å; P3-K6 PolarHBondContact O-N 2.88Å |
| 4 | L | 65.6 | Low | 62.2 | Low | 131 Ų | 131 | 136.9 Ų | 136.9 | 69% | 0.686 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -75.5 | -21.2 | -177.3 | -61.7 | 176.5 | 0 | 0 | 0 | 112.8 | D2 K6 R7 | D2-L4 PolarHBondContact OD1-N 3.25Å; D2-L4 PolarHBondContact O-N 3.24Å; L4-K6 PolarHBondContact O-N 3.01Å; L4-R7 PolarHBondContact O-N 3.29Å; L4-R7 VanDerWaalsContact O-N 3.13Å |
| 5 | Q | 61.8 | Low | 62.3 | Low | 142 Ų | 142 | 134.9 Ų | 134.9 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -68 | -20.1 | 175.5 | -70.7 | -176.1 | -40.9 | 0 | 0 | 113 | D2 P3 R7 | D2-Q5 PolarHBondContact O-N 2.75Å; D2-Q5 HydrophobicContact CB-CG 4.11Å; P3-Q5 VanDerWaalsContact C-N 3.31Å; P3-Q5 PolarHBondContact O-N 2.78Å; Q5-R7 PolarHBondContact O-N 2.91Å |
| 6 | K | 62.7 | Low | 62.3 | Low | 169 Ų | 169 | 132.9 Ų | 132.9 | 74% | 0.735 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -77.4 | -8.3 | 174.6 | -59.7 | -164.3 | 178.3 | -159.5 | 0 | 113.3 | P3 L4 | P3-K6 PolarHBondContact O-N 2.88Å; L4-K6 PolarHBondContact O-N 3.01Å |
| 7 | R | 58.7 | Low | 62 | Low | 212 Ų | 212 | 132.4 Ų | 132.4 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -110.9 | 21.3 | -177.6 | -154.4 | -168.9 | 175.3 | 134.5 | -0.3 | 112.8 | L4 Q5 P9 | L4-R7 PolarHBondContact O-N 3.29Å; L4-R7 VanDerWaalsContact O-N 3.13Å; Q5-R7 PolarHBondContact O-N 2.91Å; R7-P9 WeakPolarHBondContact O-CD 3.19Å |
| 8 | N | 62.5 | Low | 61.6 | Low | 138 Ų | 138 | 135.3 Ų | 135.3 | 74% | 0.738 | 75% | 0.749 | S | S | * | * | | | trans | -105.9 | 99.4 | 157.6 | -98 | -25.2 | 0 | 0 | 0 | 107.1 | A10 | N8-A10 PolarHBondContact O-N 3Š|
| 9 | P | 60.9 | Low | 61.4 | Low | 114 Ų | 114 | 135 Ų | 135 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | | | trans | -67.2 | 93.8 | 159 | 27.8 | -24.9 | 0 | 0 | 0 | 104.5 | R7 S11 | R7-P9 WeakPolarHBondContact O-CD 3.19Å; P9-S11 VanDerWaalsContact C-N 3.3Å; P9-S11 PolarHBondContact O-N 3.21Å |
| 10 | A | 60.8 | Low | 61.5 | Low | 89 Ų | 89 | 132.8 Ų | 132.8 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | | | trans | -49.8 | 110.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 104.7 | N8 | N8-A10 PolarHBondContact O-N 3Š|
| 11 | S | 60.6 | Low | 61.4 | Low | 90 Ų | 90 | 130.3 Ų | 130.3 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | | | trans | -40 | 128.4 | 179.8 | 49.8 | 0 | 0 | 0 | 0 | 108.3 | P9 S13 | P9-S11 VanDerWaalsContact C-N 3.3Å; P9-S11 PolarHBondContact O-N 3.21Å; S11-S13 PolarHBondContact O-N 3.42Å; S11-S13 VanDerWaalsContact C-N 3.28Å |
| 12 | P | 58.7 | Low | 61.1 | Low | 119 Ų | 119 | 129.4 Ų | 129.4 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | | | trans | -61.1 | 103.7 | 170 | 24.9 | -30.4 | 0 | 0 | 0 | 106.1 | K14 | P12-K14 PolarHBondContact O-N 3.48Å; P12-K14 VanDerWaalsContact O-N 3.1Å |
| 13 | S | 62.5 | Low | 60.7 | Low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | | | trans | -47.7 | 122.2 | 166 | -76.1 | 0 | 0 | 0 | 0 | 105.9 | S11 S15 | S11-S13 PolarHBondContact O-N 3.42Å; S11-S13 VanDerWaalsContact C-N 3.28Å; S13-S15 PolarHBondContact O-N 3.25Å |
| 14 | K | 61.7 | Low | 60.6 | Low | 219 Ų | 219 | 131.4 Ų | 131.4 | 95% | 0.952 | 76% | 0.758 | S | S | * | * | | | trans | -60.5 | 85.5 | 178.5 | -75.2 | 178.3 | 174 | 175.7 | 0 | 109 | P12 | P12-K14 PolarHBondContact O-N 3.48Å; P12-K14 VanDerWaalsContact O-N 3.1Å |
| 15 | S | 63.7 | Low | 60.6 | Low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -99.1 | 108.7 | 167.6 | 69.3 | 0 | 0 | 0 | 0 | 107.6 | S13 | S13-S15 PolarHBondContact O-N 3.25Š|
| 16 | S | 62.3 | Low | 60.6 | Low | 102 Ų | 102 | 135.9 Ų | 135.9 | 71% | 0.713 | 78% | 0.776 | S | S | * | * | | | trans | 28.7 | 127.3 | 160.4 | -154.5 | 0 | 0 | 0 | 0 | 118.8 | M18 | S16-M18 PolarHBondContact O-N 3.09Š|
| 17 | P | 57.3 | Low | 60.9 | Low | 125 Ų | 125 | 130.1 Ų | 130.1 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -66.3 | 99.3 | 171.1 | 29.8 | -31.6 | 0 | 0 | 0 | 109 | T19 | P17-T19 PolarHBondContact O-N 3.06Š|
| 18 | M | 54.8 | Low | 61.7 | Low | 185 Ų | 185 | 126.2 Ų | 126.2 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | | | trans | -74.2 | 112.5 | 160.7 | -154.5 | 97.4 | 165.8 | 0 | 0 | 105.2 | S16 A20 | S16-M18 PolarHBondContact O-N 3.09Å; M18-A20 PolarHBondContact O-N 3.11Å; M18-A20 VanDerWaalsContact O-N 3.13Å |
| 19 | T | 58.7 | Low | 62.3 | Low | 129 Ų | 129 | 123.6 Ų | 123.6 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | trans | -31.7 | 114.8 | 177.9 | -51.5 | 0 | 0 | 0 | 0 | 111.4 | P17 A21 | P17-T19 PolarHBondContact O-N 3.06Å; T19-A21 VanDerWaalsContact C-N 3.28Å; T19-A21 PolarHBondContact O-N 3.13Å |
| 20 | A | 62 | Low | 62.9 | Low | 90 Ų | 90 | 123.9 Ų | 123.9 | 74% | 0.744 | 77% | 0.766 | S | S | * | * | | | trans | -61.5 | 99.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | M18 E22 | M18-A20 PolarHBondContact O-N 3.11Å; M18-A20 VanDerWaalsContact O-N 3.13Å; A20-E22 PolarHBondContact O-N 3.3Å |
| 21 | A | 59.6 | Low | 63.7 | Low | 81 Ų | 81 | 125.2 Ų | 125.2 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | | | trans | -57.9 | 111.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 105 | T19 T23 | T19-A21 VanDerWaalsContact C-N 3.28Å; T19-A21 PolarHBondContact O-N 3.13Å; A21-T23 VanDerWaalsContact C-N 3.27Å; A21-T23 PolarHBondContact O-N 3.42Å |
| 22 | E | 56.7 | Low | 64.5 | Low | 189 Ų | 189 | 129.5 Ų | 129.5 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | -57 | 96.9 | 176.4 | -64.3 | 172.7 | 110.3 | 0 | 0 | 106.4 | A20 S24 | A20-E22 PolarHBondContact O-N 3.3Å; E22-S24 PolarHBondContact O-N 2.86Å |
| 23 | T | 58.9 | Low | 65.2 | Low | 112 Ų | 112 | 128.2 Ų | 128.2 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | | | trans | -68.7 | 87 | 166.4 | 54.3 | 0 | 0 | 0 | 0 | 104.7 | A21 Q25 | A21-T23 VanDerWaalsContact C-N 3.27Å; A21-T23 PolarHBondContact O-N 3.42Å; T23-Q25 PolarHBondContact O-N 3.07Å |
| 24 | S | 62.1 | Low | 65.8 | Low | 114 Ų | 114 | 128.5 Ų | 128.5 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | | | trans | -65.1 | 75.7 | 165 | -160.7 | 0 | 0 | 0 | 0 | 106.6 | E22 E26 | E22-S24 PolarHBondContact O-N 2.86Å; S24-E26 PolarHBondContact O-N 2.93Å |
| 25 | Q | 65.4 | Low | 66.3 | Low | 175 Ų | 175 | 128.1 Ų | 128.1 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | | | trans | -79.5 | 75.7 | 169.2 | -68.7 | -162.4 | -79.1 | 0 | 0 | 106.6 | T23 G27 | T23-Q25 PolarHBondContact O-N 3.07Å; Q25-G27 PolarHBondContact O-N 2.83Å |
| 26 | E | 61.7 | Low | 66.8 | Low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 76% | 0.761 | S | S | * | * | | | trans | -75.2 | 72 | 155.9 | -170.8 | 145.5 | 68.2 | 0 | 0 | 107.4 | S24 | S24-E26 PolarHBondContact O-N 2.93Š|
| 27 | G | 69.4 | Low | 67.1 | Low | 49 Ų | 49 | 131.1 Ų | 131.1 | 51% | 0.505 | 77% | 0.768 | S | S | . | * | P | Polyproline II helix | trans | -87.7 | 146.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q25 A29 | Q25-G27 PolarHBondContact O-N 2.83Å; G27-A29 PolarHBondContact O-N 2.95Å |
| 28 | P | 74.6 | Confident | 67.7 | Low | 130 Ų | 130 | 133.9 Ų | 133.9 | 84% | 0.844 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 133.4 | 175 | 22.4 | -30.8 | 0 | 0 | 0 | 109.2 | | |
| 29 | A | 75.4 | Confident | 68.4 | Low | 82 Ų | 82 | 130 Ų | 130 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -51 | 133.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | G27 S31 | G27-A29 PolarHBondContact O-N 2.95Å; A29-S31 PolarHBondContact O-N 3.27Å |
| 30 | P | 75.1 | Confident | 68.9 | Low | 120 Ų | 120 | 132.5 Ų | 132.5 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | | | trans | -58.9 | 114.4 | 176.1 | 24.3 | -31.7 | 0 | 0 | 0 | 107.4 | Q32 | P30-Q32 PolarHBondContact O-N 2.76Å; P30-Q32 VanDerWaalsContact O-N 3.07Å |
| 31 | S | 77 | Confident | 69.2 | Low | 117 Ų | 117 | 136.3 Ų | 136.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 117.9 | 173.6 | -56.2 | 0 | 0 | 0 | 0 | 107.1 | A29 | A29-S31 PolarHBondContact O-N 3.27Š|
| 32 | Q | 77.1 | Confident | 69.6 | Low | 181 Ų | 181 | 134.9 Ų | 134.9 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 135 | 179.8 | -65.9 | -174.5 | -67.3 | 0 | 0 | 108.4 | P30 S34 | P30-Q32 PolarHBondContact O-N 2.76Å; P30-Q32 VanDerWaalsContact O-N 3.07Å; Q32-S34 PolarHBondContact O-N 2.7Å; Q32-S34 VanDerWaalsContact O-N 3.11Å |
| 33 | P | 72.8 | Confident | 70.1 | Confident | 91 Ų | 91 | 133.4 Ų | 133.4 | 59% | 0.591 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 120 | 172.1 | 24.4 | -32.6 | 0 | 0 | 0 | 109 | Y35 | P33-Y35 WeakPolarHBondContact O-CD2 3.48Å; P33-Y35 VanDerWaalsContact O-N 3.09Å; P33-Y35 PolarHBondContact O-N 3.1Å; P33-Y35 VanDerWaalsContact CG-CE2 3.48Å; P33-Y35 HydrophobicContact CG-CE2 3.48Å; P33-Y35 HydrophobicContact CG-CD2 4.12Å; P33-Y35 HydrophobicContact CB-CE2 3.75Å; P33-Y35 HydrophobicContact CB-CD2 4.16Å |
| 34 | S | 76.6 | Confident | 70.5 | Confident | 107 Ų | 107 | 132.4 Ų | 132.4 | 75% | 0.748 | 76% | 0.756 | S | S | * | * | | | trans | -73.2 | 96.7 | 170 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | Q32 S36 | Q32-S34 PolarHBondContact O-N 2.7Å; Q32-S34 VanDerWaalsContact O-N 3.11Å; S34-S36 VanDerWaalsContact C-N 3.31Å; S34-S36 PolarHBondContact O-N 3.13Å |
| 35 | Y | 71.5 | Confident | 70.7 | Confident | 212 Ų | 212 | 133.9 Ų | 133.9 | 83% | 0.831 | 76% | 0.755 | S | S | * | * | | | trans | -79.5 | 82.2 | 171.7 | -73.3 | -80.1 | 0 | 0 | 0 | 109.8 | P33 | P33-Y35 WeakPolarHBondContact O-CD2 3.48Å; P33-Y35 VanDerWaalsContact O-N 3.09Å; P33-Y35 PolarHBondContact O-N 3.1Å; P33-Y35 VanDerWaalsContact CG-CE2 3.48Å; P33-Y35 HydrophobicContact CG-CE2 3.48Å; P33-Y35 HydrophobicContact CG-CD2 4.12Å; P33-Y35 HydrophobicContact CB-CE2 3.75Å; P33-Y35 HydrophobicContact CB-CD2 4.16Å |
| 36 | S | 73.9 | Confident | 70.7 | Confident | 88 Ų | 88 | 133.1 Ų | 133.1 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | | | trans | -117.8 | 78.2 | 166.7 | 64.8 | 0 | 0 | 0 | 0 | 109.3 | S34 | S34-S36 VanDerWaalsContact C-N 3.31Å; S34-S36 PolarHBondContact O-N 3.13Å |
| 37 | E | 67.7 | Low | 70.9 | Confident | 184 Ų | 184 | 128.9 Ų | 128.9 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | | | trans | -179.5 | 79.4 | 156.7 | -101.7 | 161.1 | 174.9 | 0 | 0 | 108.1 | P39 | E37-P39 WeakPolarHBondContact O-CD 3.47Š|
| 38 | Q | 71.8 | Confident | 70.7 | Confident | 183 Ų | 183 | 132.4 Ų | 132.4 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | | | trans | -79.2 | 108.9 | 151.5 | -67.2 | -92.8 | -66.3 | 0 | 0 | 105.1 | M40 | Q38-M40 VanDerWaalsContact C-N 3.29Å; Q38-M40 PolarHBondContact O-N 2.87Å |
| 39 | P | 69.5 | Low | 69.6 | Low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | | | trans | -66.3 | 101 | 162 | 27.3 | -30.4 | 0 | 0 | 0 | 106 | E37 M41 | E37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-M41 PolarHBondContact O-N 2.78Å |
| 40 | M | 67.4 | Low | 69.3 | Low | 181 Ų | 181 | 135.6 Ų | 135.6 | 89% | 0.892 | 80% | 0.797 | S | S | * | * | | | trans | -62.5 | 88.6 | 162.1 | -77 | -168.9 | -58.7 | 0 | 0 | 106.6 | Q38 G42 | Q38-M40 VanDerWaalsContact C-N 3.29Å; Q38-M40 PolarHBondContact O-N 2.87Å; M40-G42 PolarHBondContact O-N 2.74Å |
| 41 | M | 68.6 | Low | 69 | Low | 169 Ų | 169 | 136.4 Ų | 136.4 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | | | trans | -67 | 93 | 158.6 | -79 | -177.4 | -73.9 | 0 | 0 | 105.4 | P39 L43 | P39-M41 PolarHBondContact O-N 2.78Å; M41-L43 PolarHBondContact O-N 2.96Å |
| 42 | G | 69.3 | Low | 68.5 | Low | 52 Ų | 52 | 137.4 Ų | 137.4 | 54% | 0.536 | 80% | 0.797 | S | S | . | * | | | trans | -49.5 | 129.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | M40 S44 | M40-G42 PolarHBondContact O-N 2.74Å; G42-S44 PolarHBondContact O-N 2.79Å |
| 43 | L | 66.8 | Low | 68 | Low | 158 Ų | 158 | 134.9 Ų | 134.9 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | | | trans | -69.6 | 50.4 | 168.6 | -64.3 | 171.2 | 0 | 0 | 0 | 109.6 | M41 N45 | M41-L43 PolarHBondContact O-N 2.96Å; L43-N45 PolarHBondContact O-N 3.06Å |
| 44 | S | 66.1 | Low | 67.7 | Low | 90 Ų | 90 | 137.6 Ų | 137.6 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 98.2 | 174.8 | -41.4 | 0 | 0 | 0 | 0 | 106.1 | G42 | G42-S44 PolarHBondContact O-N 2.79Š|
| 45 | N | 66.3 | Low | 67.1 | Low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 85.6 | 59.5 | 160.9 | -35.8 | -41.8 | 0 | 0 | 0 | 115.6 | L43 S47 | L43-N45 PolarHBondContact O-N 3.06Å; N45-S47 PolarHBondContact O-N 2.84Å |
| 46 | L | 65.8 | Low | 66.8 | Low | 159 Ų | 159 | 134.5 Ų | 134.5 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | | | trans | -80.7 | 77.9 | 144 | -70.2 | 174.6 | 0 | 0 | 0 | 108.4 | | |
| 47 | S | 65.9 | Low | 66.3 | Low | 103 Ų | 103 | 138.1 Ų | 138.1 | 72% | 0.72 | 82% | 0.824 | S | S | * | * | | | trans | -103.6 | 103.7 | 158 | -169.2 | 0 | 0 | 0 | 0 | 107.2 | N45 G49 | N45-S47 PolarHBondContact O-N 2.84Å; S47-G49 PolarHBondContact O-N 3.33Å |
| 48 | P | 65.9 | Low | 66.2 | Low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | | | trans | -73 | 105.4 | 157.9 | 16.5 | -2.6 | 0 | 0 | 0 | 106.2 | | |
| 49 | G | 50.5 | Low | 65.7 | Low | 143 Ų | 143 | 129.8 Ų | 129.8 | 100% | 1.474 | 82% | 0.818 | S | S | * | * | | | trans | -62.8 | 0 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S47 | S47-G49 PolarHBondContact O-N 3.33Š|