| 1 | M | 42.5 | Very low | 61.1 | Low | 235 Ų | 235 | 162.1 Ų | 162.1 | 100% | 1.158 | 84% | 0.839 | S | S | * | * | | | | 0 | 78.5 | 0 | -62.5 | -70.5 | -135.8 | 0 | 0 | 107.9 | T3 | M1-T3 PolarHBondContact O-N 3.41Š|
| 2 | S | 53 | Low | 61.1 | Low | 114 Ų | 114 | 156.9 Ų | 156.9 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | | | trans | -79.2 | 111.7 | 179.4 | -167.8 | 0 | 0 | 0 | 0 | 107.9 | L4 | S2-L4 PolarHBondContact O-N 3.35Å; S2-L4 VanDerWaalsContact O-N 3.09Å |
| 3 | T | 59.2 | Low | 61.5 | Low | 119 Ų | 119 | 154.5 Ų | 154.5 | 73% | 0.73 | 83% | 0.828 | S | S | * | * | | | trans | -71.8 | 99.2 | 175.7 | 50.2 | 0 | 0 | 0 | 0 | 108 | M1 Q5 | M1-T3 PolarHBondContact O-N 3.41Å; T3-Q5 PolarHBondContact O-N 3.16Å |
| 4 | L | 60.6 | Low | 61.7 | Low | 156 Ų | 156 | 150.7 Ų | 150.7 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | | | trans | -63.3 | 100.8 | 171.7 | -70.9 | 170.8 | 0 | 0 | 0 | 107.9 | S2 L6 | S2-L4 PolarHBondContact O-N 3.35Å; S2-L4 VanDerWaalsContact O-N 3.09Å; L4-L6 PolarHBondContact O-N 2.82Å |
| 5 | Q | 63.2 | Low | 62 | Low | 183 Ų | 183 | 152.4 Ų | 152.4 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | | | trans | -69.5 | 87.8 | 169.4 | -67.5 | -150.1 | 59.7 | 0 | 0 | 107.9 | T3 K7 | T3-Q5 PolarHBondContact O-N 3.16Å; Q5-K7 PolarHBondContact O-N 3.01Å |
| 6 | L | 59 | Low | 62.3 | Low | 156 Ų | 156 | 153.6 Ų | 153.6 | 82% | 0.817 | 81% | 0.809 | S | S | * | * | | | trans | -63.3 | 99.7 | 174.3 | -155.6 | 82.5 | 0 | 0 | 0 | 106.7 | L4 E8 | L4-L6 PolarHBondContact O-N 2.82Å; L6-E8 PolarHBondContact O-N 2.83Å |
| 7 | K | 65.8 | Low | 62.3 | Low | 190 Ų | 190 | 152.8 Ų | 152.8 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | | | trans | -58.2 | 113 | 169.4 | -80.3 | -164.2 | 170.9 | -168.8 | 0 | 106.5 | Q5 T9 | Q5-K7 PolarHBondContact O-N 3.01Å; K7-T9 VanDerWaalsContact C-N 3.33Å; K7-T9 PolarHBondContact O-N 2.99Å |
| 8 | E | 61.8 | Low | 62.3 | Low | 191 Ų | 191 | 147 Ų | 147 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | trans | -58.8 | 99.8 | 175.7 | -120.2 | 178.1 | 104.8 | 0 | 0 | 107.9 | L6 K10 | L6-E8 PolarHBondContact O-N 2.83Å; E8-K10 PolarHBondContact O-N 2.97Å |
| 9 | T | 66.3 | Low | 62.5 | Low | 120 Ų | 120 | 146.2 Ų | 146.2 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | | | trans | -64 | 108.5 | 173.5 | -59.5 | 0 | 0 | 0 | 0 | 105.9 | K7 V11 | K7-T9 VanDerWaalsContact C-N 3.33Å; K7-T9 PolarHBondContact O-N 2.99Å; T9-V11 WeakPolarHBondContact O-CG2 3.4Å; T9-V11 PolarHBondContact O-N 2.85Å |
| 10 | K | 69.2 | Low | 62.7 | Low | 194 Ų | 194 | 146.2 Ų | 146.2 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -54.2 | 100.8 | 177.5 | -177.2 | 169.2 | -179 | 176.9 | 0 | 108.8 | E8 P12 | E8-K10 PolarHBondContact O-N 2.97Å; K10-P12 WeakPolarHBondContact O-CD 3.42Å |
| 11 | V | 71.3 | Confident | 62.7 | Low | 125 Ų | 125 | 145.2 Ų | 145.2 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | | | trans | -73.5 | 120.8 | 177.8 | -176.7 | 0 | 0 | 0 | 0 | 107 | T9 S13 | T9-V11 WeakPolarHBondContact O-CG2 3.4Å; T9-V11 PolarHBondContact O-N 2.85Å; V11-S13 PolarHBondContact O-N 2.91Å |
| 12 | P | 61.9 | Low | 63.8 | Low | 100 Ų | 100 | 137.1 Ų | 137.1 | 65% | 0.649 | 75% | 0.747 | S | S | * | * | | | trans | -66.4 | 130.5 | 177 | 25.7 | -31.1 | 0 | 0 | 0 | 109.6 | K10 V14 | K10-P12 WeakPolarHBondContact O-CD 3.42Å; P12-V14 PolarHBondContact O-N 2.95Å; P12-V14 VanDerWaalsContact O-N 3.16Å |
| 13 | S | 65.8 | Low | 64.5 | Low | 126 Ų | 126 | 136.7 Ų | 136.7 | 88% | 0.881 | 74% | 0.735 | S | S | * | * | | | trans | -72.1 | 107.5 | 172.1 | 57.7 | 0 | 0 | 0 | 0 | 108.5 | V11 | V11-S13 PolarHBondContact O-N 2.91Š|
| 14 | V | 64.8 | Low | 64.7 | Low | 101 Ų | 101 | 133.9 Ų | 133.9 | 61% | 0.612 | 72% | 0.72 | S | S | * | * | | | trans | -96.4 | 134 | 171.2 | -66.5 | 0 | 0 | 0 | 0 | 109 | P12 F16 | P12-V14 PolarHBondContact O-N 2.95Å; P12-V14 VanDerWaalsContact O-N 3.16Å; V14-F16 HydrophobicContact CG2-CE2 3.85Å; V14-F16 HydrophobicContact CG2-CZ 4.03Å |
| 15 | Q | 66.3 | Low | 65 | Low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 71% | 0.707 | S | S | * | * | | | trans | -97 | 115.8 | 170.7 | -167.3 | 174.5 | 33 | 0 | 0 | 107.1 | V17 | Q15-V17 PolarHBondContact O-N 3.4Š|
| 16 | F | 66.4 | Low | 65 | Low | 172 Ų | 172 | 126.9 Ų | 126.9 | 75% | 0.754 | 69% | 0.685 | S | S | * | * | | | trans | -73.5 | 118.2 | 171.9 | -67.3 | -85.9 | 0 | 0 | 0 | 107.6 | V14 | V14-F16 HydrophobicContact CG2-CE2 3.85Å; V14-F16 HydrophobicContact CG2-CZ 4.03Å |
| 17 | V | 62 | Low | 65 | Low | 140 Ų | 140 | 123.1 Ų | 123.1 | 85% | 0.848 | 67% | 0.665 | S | S | * | * | | | trans | -101.8 | 107 | 176.4 | -176 | 0 | 0 | 0 | 0 | 107.5 | Q15 | Q15-V17 PolarHBondContact O-N 3.4Š|
| 18 | G | 62.6 | Low | 64.8 | Low | 48 Ų | 48 | 120.5 Ų | 120.5 | 50% | 0.495 | 66% | 0.66 | S | S | . | * | S | Bend | trans | 177.4 | 150.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 19 | D | 66.5 | Low | 64.8 | Low | 131 Ų | 131 | 121.3 Ų | 121.3 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | | | trans | -62.6 | 156.7 | 172 | -62.9 | -35.8 | 0 | 0 | 0 | 109.8 | D21 V22 | D19-D21 PolarHBondContact O-N 3.48Å; D19-V22 HydrophobicContact CB-CG2 4.46Å; D19-V22 WeakPolarHBondContact O-CB 3.39Å; D19-V22 WeakPolarHBondContact O-CG2 3.35Å; D19-V22 PolarHBondContact O-N 2.87Å |
| 20 | D | 65.4 | Low | 64.5 | Low | 147 Ų | 147 | 122.6 Ų | 122.6 | 79% | 0.786 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -52.1 | -24.3 | -179.1 | -76.5 | -29.9 | 0 | 0 | 0 | 112.8 | | |
| 21 | D | 63.3 | Low | 63.7 | Low | 126 Ų | 126 | 115.4 Ų | 115.4 | 67% | 0.674 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -78.5 | -16.9 | 178.6 | -62.3 | -40.2 | 0 | 0 | 0 | 114.5 | D19 S24 H25 | D19-D21 PolarHBondContact O-N 3.48Å; D21-S24 WeakPolarHBondContact O-CB 3.48Å; D21-S24 PolarHBondContact O-N 3.45Å; D21-H25 PolarHBondContact O-N 3.22Å |
| 22 | V | 66.6 | Low | 62.9 | Low | 64 Ų | 64 | 112.1 Ų | 112.1 | 39% | 0.388 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -71.4 | -36.4 | 179.9 | -179.6 | 0 | 0 | 0 | 0 | 110.9 | D19 S24 H25 I26 | D19-V22 HydrophobicContact CB-CG2 4.46Å; D19-V22 WeakPolarHBondContact O-CB 3.39Å; D19-V22 WeakPolarHBondContact O-CG2 3.35Å; D19-V22 PolarHBondContact O-N 2.87Å; V22-S24 VanDerWaalsContact C-N 3.28Å; V22-S24 PolarHBondContact O-N 2.95Å; V22-H25 PolarHBondContact O-N 3.09Å; V22-I26 HydrophobicContact CG1-CD1 4.05Å; V22-I26 PolarHBondContact O-N 3.28Å; V22-I26 HydrophobicContact CG1-CG1 4.48Å; V22-I26 WeakPolarHBondContact O-CG1 3.18Å |
| 23 | L | 66.4 | Low | 62.5 | Low | 106 Ų | 106 | 113.5 Ų | 113.5 | 56% | 0.555 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.9 | -41.7 | 173.1 | -70.7 | 177.8 | 0 | 0 | 0 | 110.7 | I26 L27 | L23-I26 PolarHBondContact O-N 3.07Å; L23-L27 WeakPolarHBondContact O-CB 2.94Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 2.96Å |
| 24 | S | 64.6 | Low | 61.9 | Low | 60 Ų | 60 | 116.7 Ų | 116.7 | 42% | 0.42 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -63 | -43.9 | 175 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | D21 V22 I26 L27 D28 | D21-S24 WeakPolarHBondContact O-CB 3.48Å; D21-S24 PolarHBondContact O-N 3.45Å; V22-S24 VanDerWaalsContact C-N 3.28Å; V22-S24 PolarHBondContact O-N 2.95Å; S24-I26 PolarHBondContact O-N 3.35Å; S24-L27 PolarHBondContact O-N 3.32Å; S24-D28 WeakPolarHBondContact O-CB 3.37Å; S24-D28 PolarHBondContact O-N 2.94Å |
| 25 | H | 65.3 | Low | 61.3 | Low | 116 Ų | 116 | 116.6 Ų | 116.6 | 54% | 0.537 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.2 | -35.1 | 179.6 | -166.8 | 65.7 | 0 | 0 | 0 | 114 | D21 V22 R29 | D21-H25 PolarHBondContact O-N 3.22Å; V22-H25 PolarHBondContact O-N 3.09Å; H25-R29 WeakPolarHBondContact O-CB 3.2Å; H25-R29 PolarHBondContact O-N 2.98Å |
| 26 | I | 64.3 | Low | 60.6 | Low | 75 Ų | 75 | 117.1 Ų | 117.1 | 39% | 0.385 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.5 | -51 | 174.1 | -67.8 | 168 | 0 | 0 | 0 | 109.1 | V22 L23 S24 D28 R29 E30 | V22-I26 HydrophobicContact CG1-CD1 4.05Å; V22-I26 PolarHBondContact O-N 3.28Å; V22-I26 HydrophobicContact CG1-CG1 4.48Å; V22-I26 WeakPolarHBondContact O-CG1 3.18Å; L23-I26 PolarHBondContact O-N 3.07Å; S24-I26 PolarHBondContact O-N 3.35Å; I26-D28 PolarHBondContact O-N 2.95Å; I26-R29 PolarHBondContact O-N 3.21Å; I26-E30 VanDerWaalsContact CG2-CD 3.46Å; I26-E30 PolarHBondContact O-N 3.34Å; I26-E30 WeakPolarHBondContact O-CG 3.48Å; I26-E30 WeakPolarHBondContact CG2-OE1 3.44Å; I26-E30 HydrophobicContact CG2-CG 3.76Å |
| 27 | L | 58.8 | Low | 60 | Low | 78 Ų | 78 | 117.1 Ų | 117.1 | 41% | 0.408 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -57.6 | -35.8 | 179.6 | -70.2 | 171.6 | 0 | 0 | 0 | 113.5 | L23 S24 R29 G32 L35 | L23-L27 WeakPolarHBondContact O-CB 2.94Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 2.96Å; S24-L27 PolarHBondContact O-N 3.32Å; L27-R29 VanDerWaalsContact C-N 3.33Å; L27-G32 PolarHBondContact O-N 3.31Å; L27-L35 HydrophobicContact CD2-CB 4.39Å; L27-L35 HydrophobicContact CD2-CD1 4.28Å |
| 28 | D | 61.8 | Low | 59.5 | Low | 135 Ų | 135 | 117.8 Ų | 117.8 | 72% | 0.722 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.3 | -28.8 | 177.2 | -71 | -29.9 | 0 | 0 | 0 | 112.5 | S24 I26 | S24-D28 WeakPolarHBondContact O-CB 3.37Å; S24-D28 PolarHBondContact O-N 2.94Å; I26-D28 PolarHBondContact O-N 2.95Å |
| 29 | R | 61.9 | Low | 58.9 | Low | 207 Ų | 207 | 123.3 Ų | 123.3 | 78% | 0.781 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -92.5 | -27.1 | -175.7 | -159.2 | 174 | 178 | -177.3 | -2.1 | 113.8 | H25 I26 L27 G31 | H25-R29 WeakPolarHBondContact O-CB 3.2Å; H25-R29 PolarHBondContact O-N 2.98Å; I26-R29 PolarHBondContact O-N 3.21Å; L27-R29 VanDerWaalsContact C-N 3.33Å; R29-G31 VanDerWaalsContact C-N 3.32Å |
| 30 | E | 58.4 | Low | 58 | Low | 148 Ų | 148 | 120.7 Ų | 120.7 | 69% | 0.692 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 0 | 175.8 | -11.3 | -158.9 | 123.5 | 0 | 0 | 113.6 | I26 | I26-E30 VanDerWaalsContact CG2-CD 3.46Å; I26-E30 PolarHBondContact O-N 3.34Å; I26-E30 WeakPolarHBondContact O-CG 3.48Å; I26-E30 WeakPolarHBondContact CG2-OE1 3.44Å; I26-E30 HydrophobicContact CG2-CG 3.76Å |
| 31 | G | 53.1 | Low | 57.5 | Low | 42 Ų | 42 | 121.3 Ų | 121.3 | 43% | 0.433 | 62% | 0.624 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72.6 | 61.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | R29 T33 | R29-G31 VanDerWaalsContact C-N 3.32Å; G31-T33 PolarHBondContact O-N 3.4Å; G31-T33 PolarHBondContact O-OG1 3.38Å |
| 32 | G | 54.5 | Low | 56.9 | Low | 57 Ų | 57 | 122.5 Ų | 122.5 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | S | Bend | trans | 43.3 | 1 | 139.2 | 0 | 0 | 0 | 0 | 0 | 123.1 | L27 | L27-G32 PolarHBondContact O-N 3.31Š|
| 33 | T | 53.4 | Low | 56.1 | Low | 129 Ų | 129 | 127.1 Ų | 127.1 | 79% | 0.791 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -121.8 | -4.8 | -160.7 | 55.1 | 0 | 0 | 0 | 0 | 115.2 | G31 | G31-T33 PolarHBondContact O-N 3.4Å; G31-T33 PolarHBondContact O-OG1 3.38Å |
| 34 | K | 54 | Low | 54.7 | Low | 192 Ų | 192 | 132 Ų | 132 | 84% | 0.835 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -113 | -15.6 | 175.6 | -79.7 | -147 | 175.1 | -169.5 | 0 | 116.8 | | |
| 35 | L | 52.3 | Low | 54.2 | Low | 100 Ų | 100 | 135.6 Ų | 135.6 | 52% | 0.524 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -96.9 | -5.5 | -173.1 | -133.6 | 132.9 | 0 | 0 | 0 | 115.1 | L27 | L27-L35 HydrophobicContact CD2-CB 4.39Å; L27-L35 HydrophobicContact CD2-CD1 4.28Å |
| 36 | K | 51.8 | Low | 53.6 | Low | 186 Ų | 186 | 136.6 Ų | 136.6 | 81% | 0.809 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -12.8 | 173.1 | -68.5 | -157.1 | 176.3 | -169.7 | 0 | 114.1 | | |
| 37 | K | 52.6 | Low | 53 | Low | 172 Ų | 172 | 140.1 Ų | 140.1 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | -20.7 | -173.8 | -130 | 177.6 | -177 | 178.5 | 0 | 114.7 | | |
| 38 | E | 50.9 | Low | 52.7 | Low | 154 Ų | 154 | 143.7 Ų | 143.7 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | -32.5 | -179.4 | -155.9 | 172.7 | 103.3 | 0 | 0 | 112.7 | A40 Q41 | E38-A40 VanDerWaalsContact C-N 3.28Å; E38-A40 PolarHBondContact O-N 2.9Å; E38-Q41 PolarHBondContact O-N 2.63Å |
| 39 | K | 50.8 | Low | 52.1 | Low | 165 Ų | 165 | 144.3 Ų | 144.3 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -14.3 | 175.2 | -72.7 | -169.3 | 175 | -175.3 | 0 | 114.5 | | |
| 40 | A | 48.1 | Very low | 51.4 | Low | 75 Ų | 75 | 140.1 Ų | 140.1 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -9.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E38 | E38-A40 VanDerWaalsContact C-N 3.28Å; E38-A40 PolarHBondContact O-N 2.9Å |
| 41 | Q | 53.5 | Low | 50.9 | Low | 161 Ų | 161 | 139.5 Ų | 139.5 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -102.9 | -1.2 | 178.1 | -74.9 | -177.3 | 7.8 | 0 | 0 | 113.9 | E38 | E38-Q41 PolarHBondContact O-N 2.63Š|
| 42 | L | 51.8 | Low | 50.8 | Low | 151 Ų | 151 | 147 Ų | 147 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -99.8 | 19 | 176.8 | -93.4 | 163.1 | 0 | 0 | 0 | 113.2 | | |
| 43 | L | 48.7 | Very low | 50.5 | Low | 160 Ų | 160 | 154.5 Ų | 154.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -134.6 | 60.9 | 174.5 | -149.6 | 89 | 0 | 0 | 0 | 110.6 | | |
| 44 | V | 37.5 | Very low | 50.2 | Low | 209 Ų | 209 | 156.8 Ų | 156.8 | 100% | 1.267 | 78% | 0.784 | S | S | * | * | | | trans | -141.7 | 0 | 156.6 | 178.3 | 0 | 0 | 0 | 0 | 108.3 | | |