| 1 | M | 55.9 | Low | 53.8 | Low | 238 Ų | 238 | 149.6 Ų | 149.6 | 100% | 1.172 | 82% | 0.823 | S | S | * | * | | | | 0 | 111.8 | 0 | -67.6 | -140.9 | -102.2 | 0 | 0 | 107.6 | | |
| 2 | S | 54.3 | Low | 53.6 | Low | 121 Ų | 121 | 153.5 Ų | 153.5 | 85% | 0.846 | 83% | 0.825 | S | S | * | * | | | trans | -143.2 | 112 | 172.2 | -171.3 | 0 | 0 | 0 | 0 | 106.9 | Q4 | S2-Q4 PolarHBondContact O-N 3.41Š|
| 3 | H | 51.8 | Low | 53.4 | Low | 172 Ų | 172 | 157.3 Ų | 157.3 | 80% | 0.796 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 124.1 | 175.9 | -65.4 | -91.7 | 0 | 0 | 0 | 107.6 | | |
| 4 | Q | 62.7 | Low | 53.1 | Low | 170 Ų | 170 | 155.8 Ų | 155.8 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 133.6 | 169 | -167.3 | -175.2 | 59 | 0 | 0 | 107.8 | S2 L6 | S2-Q4 PolarHBondContact O-N 3.41Å; Q4-L6 PolarHBondContact O-N 2.75Å |
| 5 | P | 55.5 | Low | 52.7 | Low | 101 Ų | 101 | 151.4 Ų | 151.4 | 66% | 0.656 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.4 | 168.3 | 27.4 | -29.9 | 0 | 0 | 0 | 107.2 | S7 | P5-S7 PolarHBondContact O-N 3.32Š|
| 6 | L | 51.8 | Low | 52.4 | Low | 160 Ų | 160 | 149 Ų | 149 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | | | trans | -66.3 | 75 | 168.1 | -84.2 | 155.3 | 0 | 0 | 0 | 108.4 | Q4 C8 | Q4-L6 PolarHBondContact O-N 2.75Å; L6-C8 PolarHBondContact O-N 3.08Å; L6-C8 VanDerWaalsContact O-N 3.08Å |
| 7 | S | 54.9 | Low | 52.4 | Low | 103 Ų | 103 | 146.8 Ų | 146.8 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | | | trans | -79.1 | 78.3 | 167.4 | 59.8 | 0 | 0 | 0 | 0 | 108.4 | P5 | P5-S7 PolarHBondContact O-N 3.32Š|
| 8 | C | 50.7 | Low | 52 | Low | 114 Ų | 114 | 147.2 Ų | 147.2 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | -126 | 47.3 | 158.5 | -54.7 | 0 | 0 | 0 | 0 | 108.6 | L6 | L6-C8 PolarHBondContact O-N 3.08Å; L6-C8 VanDerWaalsContact O-N 3.08Å |
| 9 | L | 58.8 | Low | 52 | Low | 168 Ų | 168 | 145.4 Ų | 145.4 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | -99.5 | 72.4 | 164.6 | -93 | 169.1 | 0 | 0 | 0 | 108.3 | | |
| 10 | T | 47.8 | Very low | 51.8 | Low | 125 Ų | 125 | 143.2 Ų | 143.2 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | trans | -172 | 129.1 | 157.4 | -14.7 | 0 | 0 | 0 | 0 | 104.2 | | |
| 11 | E | 47.8 | Very low | 51.5 | Low | 174 Ų | 174 | 139 Ų | 139 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | cis | -169.7 | 126 | 41.5 | 55 | -151.9 | 67.1 | 0 | 0 | 107.6 | | |
| 12 | K | 51.7 | Low | 51.3 | Low | 196 Ų | 196 | 136.3 Ų | 136.3 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | | | trans | -154.5 | 51.1 | 151.5 | -129.4 | -179.9 | 180 | -171.3 | 0 | 110.5 | D14 | K12-D14 VanDerWaalsContact C-N 3.35Š|
| 13 | E | 50.9 | Low | 51.5 | Low | 203 Ų | 203 | 132.4 Ų | 132.4 | 95% | 0.949 | 75% | 0.751 | S | S | * | * | | | trans | -93.8 | 75.4 | 160.5 | -158 | 177 | 114.4 | 0 | 0 | 106.8 | | |
| 14 | D | 48.6 | Very low | 51.4 | Low | 136 Ų | 136 | 128.7 Ų | 128.7 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | | | trans | -174.5 | 89.3 | 150.8 | -170.7 | -112.2 | 0 | 0 | 0 | 108.3 | K12 | K12-D14 VanDerWaalsContact C-N 3.35Š|
| 15 | S | 48.2 | Very low | 51 | Low | 90 Ų | 90 | 127.2 Ų | 127.2 | 63% | 0.629 | 75% | 0.747 | S | S | * | * | | | trans | -157.3 | 117.3 | 150.3 | -66.5 | 0 | 0 | 0 | 0 | 104.2 | S17 | S15-S17 VanDerWaalsContact C-N 3.33Å; S15-S17 PolarHBondContact O-N 3.25Å |
| 16 | P | 47.2 | Very low | 50.9 | Low | 113 Ų | 113 | 130.3 Ų | 130.3 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | -56.1 | 113.9 | 158.9 | 25.7 | -28.8 | 0 | 0 | 0 | 103.5 | E18 | P16-E18 VanDerWaalsContact C-N 3.27Å; P16-E18 PolarHBondContact O-N 3.39Å |
| 17 | S | 53.1 | Low | 50.9 | Low | 112 Ų | 112 | 129.2 Ų | 129.2 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | | | trans | -48.1 | 98.5 | -175.4 | 51.9 | 0 | 0 | 0 | 0 | 107.8 | S15 S19 | S15-S17 VanDerWaalsContact C-N 3.33Å; S15-S17 PolarHBondContact O-N 3.25Å; S17-S19 VanDerWaalsContact C-N 3.29Å; S17-S19 PolarHBondContact O-N 3.13Å |
| 18 | E | 45.3 | Very low | 51.1 | Low | 153 Ų | 153 | 128.5 Ų | 128.5 | 72% | 0.715 | 75% | 0.747 | S | S | * | * | | | trans | -65.8 | 102.8 | -178.8 | -125.8 | -107.2 | 96.5 | 0 | 0 | 103.1 | P16 T20 | P16-E18 VanDerWaalsContact C-N 3.27Å; P16-E18 PolarHBondContact O-N 3.39Å; E18-T20 PolarHBondContact O-N 3.01Å; E18-T20 WeakPolarHBondContact OE1-CB 3.27Å; E18-T20 PolarHBondContact OE1-OG1 3.5Å |
| 19 | S | 50.9 | Low | 51.4 | Low | 113 Ų | 113 | 131 Ų | 131 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | trans | -68.2 | 60.4 | 167.6 | 170.6 | 0 | 0 | 0 | 0 | 108.1 | S17 | S17-S19 VanDerWaalsContact C-N 3.29Å; S17-S19 PolarHBondContact O-N 3.13Å |
| 20 | T | 47.9 | Very low | 51.4 | Low | 101 Ų | 101 | 125.8 Ų | 125.8 | 62% | 0.62 | 72% | 0.723 | S | S | * | * | | | trans | -118.1 | 55.5 | 166.5 | -61.6 | 0 | 0 | 0 | 0 | 108.2 | E18 | E18-T20 PolarHBondContact O-N 3.01Å; E18-T20 WeakPolarHBondContact OE1-CB 3.27Å; E18-T20 PolarHBondContact OE1-OG1 3.5Å |
| 21 | G | 45 | Very low | 52.2 | Low | 55 Ų | 55 | 125 Ų | 125 | 57% | 0.567 | 71% | 0.714 | S | S | * | * | | | trans | -117.5 | 115.1 | 152.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | G23 | G21-G23 PolarHBondContact O-N 3.08Š|
| 22 | N | 52.1 | Low | 52.7 | Low | 183 Ų | 183 | 122.3 Ų | 122.3 | 98% | 0.979 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -70.6 | 50.4 | 166.1 | -73.1 | -78.7 | 0 | 0 | 0 | 110.1 | | |
| 23 | G | 58.5 | Low | 53.3 | Low | 39 Ų | 39 | 120.5 Ų | 120.5 | 40% | 0.402 | 71% | 0.705 | S | S | . | * | S | Bend | trans | -135.6 | 151.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 109 | G21 | G21-G23 PolarHBondContact O-N 3.08Š|
| 24 | P | 50.2 | Low | 54.3 | Low | 93 Ų | 93 | 115.9 Ų | 115.9 | 60% | 0.604 | 69% | 0.691 | S | S | * | * | | | trans | -52.4 | 144.2 | -178.5 | 20 | -30.2 | 0 | 0 | 0 | 110.2 | H26 | P24-H26 PolarHBondContact O-N 2.67Š|
| 25 | P | 54.6 | Low | 55.7 | Low | 139 Ų | 139 | 112.8 Ų | 112.8 | 90% | 0.903 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -62.1 | 9.7 | -178.2 | 25.5 | -34.9 | 0 | 0 | 0 | 114.5 | | |
| 26 | H | 53 | Low | 57.7 | Low | 167 Ų | 167 | 111.8 Ų | 111.8 | 77% | 0.773 | 66% | 0.661 | S | S | * | * | | | trans | -110.5 | 38.6 | -175.4 | -162.6 | -82.3 | 0 | 0 | 0 | 111.5 | P24 | P24-H26 PolarHBondContact O-N 2.67Š|
| 27 | L | 52.3 | Low | 59.6 | Low | 137 Ų | 137 | 111.6 Ų | 111.6 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | | | trans | -124 | 34.2 | 164 | -63.4 | 174.2 | 0 | 0 | 0 | 109.6 | H29 | L27-H29 PolarHBondContact O-N 3.08Š|
| 28 | A | 58.5 | Low | 61.5 | Low | 87 Ų | 87 | 114.2 Ų | 114.2 | 72% | 0.719 | 66% | 0.66 | S | S | * | * | | | trans | -52.8 | 119.7 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 29 | H | 57 | Low | 63.5 | Low | 168 Ų | 168 | 111.7 Ų | 111.7 | 78% | 0.778 | 65% | 0.648 | S | S | * | * | | | trans | -50.4 | 130 | 176.9 | -77.7 | -88.1 | 0 | 0 | 0 | 107.9 | L27 N31 | L27-H29 PolarHBondContact O-N 3.08Å; H29-N31 PolarHBondContact O-N 2.99Å |
| 30 | P | 59.5 | Low | 65.3 | Low | 57 Ų | 57 | 109 Ų | 109 | 37% | 0.37 | 63% | 0.625 | S | S | . | * | | | trans | -56.8 | 109.4 | 176.7 | 25.1 | -34.1 | 0 | 0 | 0 | 106.7 | L32 F35 | P30-L32 PolarHBondContact O-N 2.96Å; P30-F35 HydrophobicContact CB-CE2 3.43Å; P30-F35 VanDerWaalsContact CB-CE2 3.43Å; P30-F35 HydrophobicContact CB-CZ 3.56Å |
| 31 | N | 62.8 | Low | 67.5 | Low | 108 Ų | 108 | 109.5 Ų | 109.5 | 58% | 0.578 | 62% | 0.623 | S | S | * | * | | | trans | -63.7 | 105.2 | 175.3 | -101.4 | -83.1 | 0 | 0 | 0 | 106.7 | H29 D33 T34 F35 | H29-N31 PolarHBondContact O-N 2.99Å; N31-D33 PolarHBondContact O-N 3.47Å; N31-D33 VanDerWaalsContact O-N 3.13Å; N31-T34 WeakPolarHBondContact CB-OG1 3.3Å; N31-T34 PolarHBondContact O-N 3.32Å; N31-F35 WeakPolarHBondContact O-CD2 3.33Å; N31-F35 WeakPolarHBondContact O-CE2 3.31Å |
| 32 | L | 60.1 | Low | 69.7 | Low | 119 Ų | 119 | 111.7 Ų | 111.7 | 62% | 0.623 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -58.6 | -26.2 | -177.5 | -76.3 | 156.6 | 0 | 0 | 0 | 112 | P30 T34 L40 | P30-L32 PolarHBondContact O-N 2.96Å; L32-T34 PolarHBondContact O-N 3.13Å; L32-L40 HydrophobicContact CD2-CD1 3.59Å |
| 33 | D | 63.9 | Low | 71.5 | Confident | 157 Ų | 157 | 105.6 Ų | 105.6 | 84% | 0.84 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -72.8 | -6.6 | 175.3 | -66.9 | -84.7 | 0 | 0 | 0 | 114.8 | N31 | N31-D33 PolarHBondContact O-N 3.47Å; N31-D33 VanDerWaalsContact O-N 3.13Å |
| 34 | T | 72.2 | Confident | 73 | Confident | 107 Ų | 107 | 108.7 Ų | 108.7 | 66% | 0.656 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -105.2 | -14 | -177.7 | -43.5 | 0 | 0 | 0 | 0 | 113.3 | N31 L32 | N31-T34 WeakPolarHBondContact CB-OG1 3.3Å; N31-T34 PolarHBondContact O-N 3.32Å; L32-T34 PolarHBondContact O-N 3.13Å |
| 35 | F | 78.4 | Confident | 75 | Confident | 70 Ų | 70 | 110.4 Ų | 110.4 | 31% | 0.307 | 59% | 0.587 | S | S | . | * | | | trans | -85.9 | 137.6 | -177.7 | -64.2 | -77.1 | 0 | 0 | 0 | 111.8 | P30 N31 E39 L40 | P30-F35 HydrophobicContact CB-CE2 3.43Å; P30-F35 VanDerWaalsContact CB-CE2 3.43Å; P30-F35 HydrophobicContact CB-CZ 3.56Å; N31-F35 WeakPolarHBondContact O-CD2 3.33Å; N31-F35 WeakPolarHBondContact O-CE2 3.31Å; F35-E39 HydrophobicContact CB-CB 4.23Å; F35-E39 HydrophobicContact CD1-CB 3.84Å; F35-L40 HydrophobicContact CB-CB 4.27Å |
| 36 | T | 88.9 | Confident | 76.7 | Confident | 69 Ų | 69 | 109 Ų | 109 | 42% | 0.423 | 57% | 0.568 | S | S | . | * | | | trans | -64.6 | 156.7 | 159.5 | 64.3 | 0 | 0 | 0 | 0 | 109.7 | E38 E39 L40 | T36-E38 PolarHBondContact O-N 2.95Å; T36-E38 VanDerWaalsContact O-N 3.08Å; T36-E39 WeakPolarHBondContact CB-OE2 3.41Å; T36-E39 VanDerWaalsContact CG2-OE2 3.3Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.17Å; T36-E39 PolarHBondContact N-OE2 3.34Å; T36-E39 PolarHBondContact O-N 3.25Å; T36-E39 VanDerWaalsContact O-N 3.13Å; T36-E39 VanDerWaalsContact OG1-CG 3.31Å; T36-E39 WeakPolarHBondContact OG1-CG 3.38Å; T36-E39 PolarHBondContact OG1-N 2.96Å; T36-E39 PolarHBondContact OG1-OE2 2.96Å; T36-L40 PolarHBondContact O-N 3.46Å; T36-L40 VanDerWaalsContact O-N 3.08Å |
| 37 | P | 87.9 | Confident | 78.5 | Confident | 110 Ų | 110 | 105.9 Ų | 105.9 | 71% | 0.714 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -53.6 | -32.6 | 176.9 | -27.3 | 34.9 | 0 | 0 | 0 | 113.3 | L41 | P37-L41 VanDerWaalsContact O-CG 3.27Å; P37-L41 WeakPolarHBondContact O-CG 3.2Å; P37-L41 PolarHBondContact O-N 3.35Å |
| 38 | E | 92.6 | Very high | 80.4 | Confident | 166 Ų | 166 | 103.8 Ų | 103.8 | 78% | 0.776 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.2 | -42 | -179 | -155.2 | 169.6 | 106.1 | 0 | 0 | 112 | T36 L40 L41 Q42 | T36-E38 PolarHBondContact O-N 2.95Å; T36-E38 VanDerWaalsContact O-N 3.08Å; E38-L40 PolarHBondContact O-N 3.14Å; E38-L41 PolarHBondContact O-N 3.44Å; E38-Q42 PolarHBondContact O-N 2.93Å |
| 39 | E | 87.4 | Confident | 82 | Confident | 100 Ų | 100 | 103.5 Ų | 103.5 | 47% | 0.467 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -37.8 | 176.4 | -69.5 | 168 | 108.8 | 0 | 0 | 112 | F35 T36 L41 Q42 Q43 | F35-E39 HydrophobicContact CB-CB 4.23Å; F35-E39 HydrophobicContact CD1-CB 3.84Å; T36-E39 WeakPolarHBondContact CB-OE2 3.41Å; T36-E39 VanDerWaalsContact CG2-OE2 3.3Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.17Å; T36-E39 PolarHBondContact N-OE2 3.34Å; T36-E39 PolarHBondContact O-N 3.25Å; T36-E39 VanDerWaalsContact O-N 3.13Å; T36-E39 VanDerWaalsContact OG1-CG 3.31Å; T36-E39 WeakPolarHBondContact OG1-CG 3.38Å; T36-E39 PolarHBondContact OG1-N 2.96Å; T36-E39 PolarHBondContact OG1-OE2 2.96Å; E39-L41 VanDerWaalsContact C-N 3.34Å; E39-L41 PolarHBondContact O-N 2.86Å; E39-Q42 PolarHBondContact O-N 3.07Å; E39-Q43 PolarHBondContact O-N 2.99Å |
| 40 | L | 89.3 | Confident | 83.4 | Confident | 58 Ų | 58 | 101 Ų | 101 | 30% | 0.304 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -44 | 175.3 | -178.2 | 63.3 | 0 | 0 | 0 | 111.4 | L32 F35 T36 E38 Q42 Q43 M44 | L32-L40 HydrophobicContact CD2-CD1 3.59Å; F35-L40 HydrophobicContact CB-CB 4.27Å; T36-L40 PolarHBondContact O-N 3.46Å; T36-L40 VanDerWaalsContact O-N 3.08Å; E38-L40 PolarHBondContact O-N 3.14Å; L40-Q42 VanDerWaalsContact C-N 3.3Å; L40-Q42 PolarHBondContact O-N 3.33Å; L40-Q43 PolarHBondContact O-N 3.41Å; L40-M44 WeakPolarHBondContact O-CG 3.44Å; L40-M44 PolarHBondContact O-N 3.47Å |
| 41 | L | 92.8 | Very high | 84.7 | Confident | 110 Ų | 110 | 102.4 Ų | 102.4 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.2 | -37.3 | 177.1 | -71.3 | 171.8 | 0 | 0 | 0 | 111.9 | P37 E38 E39 K45 | P37-L41 VanDerWaalsContact O-CG 3.27Å; P37-L41 WeakPolarHBondContact O-CG 3.2Å; P37-L41 PolarHBondContact O-N 3.35Å; E38-L41 PolarHBondContact O-N 3.44Å; E39-L41 VanDerWaalsContact C-N 3.34Å; E39-L41 PolarHBondContact O-N 2.86Å; L41-K45 PolarHBondContact O-N 2.78Å; L41-K45 VanDerWaalsContact O-N 3.14Å |
| 42 | Q | 91.4 | Very high | 86 | Confident | 102 Ų | 102 | 103.3 Ų | 103.3 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 176.2 | -171.8 | 55.5 | 56.4 | 0 | 0 | 110.9 | E38 E39 L40 M44 K45 E46 | E38-Q42 PolarHBondContact O-N 2.93Å; E39-Q42 PolarHBondContact O-N 3.07Å; L40-Q42 VanDerWaalsContact C-N 3.3Å; L40-Q42 PolarHBondContact O-N 3.33Å; Q42-M44 PolarHBondContact O-N 3.08Å; Q42-K45 WeakPolarHBondContact O-CB 3.26Å; Q42-K45 PolarHBondContact O-N 3.2Å; Q42-E46 PolarHBondContact O-N 3.2Å |
| 43 | Q | 89.8 | Confident | 87 | Confident | 54 Ų | 54 | 105.2 Ų | 105.2 | 25% | 0.252 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 178 | -160.9 | -162.7 | 7.8 | 0 | 0 | 112.1 | E39 L40 K45 E46 L47 | E39-Q43 PolarHBondContact O-N 2.99Å; L40-Q43 PolarHBondContact O-N 3.41Å; Q43-K45 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 3.38Å; Q43-E46 PolarHBondContact O-N 3.44Å; Q43-L47 HydrophobicContact CG-CD1 4.15Å; Q43-L47 WeakPolarHBondContact O-CD1 3.48Å; Q43-L47 PolarHBondContact O-N 2.92Å; Q43-L47 VanDerWaalsContact O-N 3.08Å |
| 44 | M | 89.8 | Confident | 87.9 | Confident | 104 Ų | 104 | 104.9 Ų | 104.9 | 51% | 0.512 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 176.8 | -74.3 | -166.7 | 74.5 | 0 | 0 | 112.5 | L40 Q42 L47 L48 | L40-M44 WeakPolarHBondContact O-CG 3.44Å; L40-M44 PolarHBondContact O-N 3.47Å; Q42-M44 PolarHBondContact O-N 3.08Å; M44-L47 PolarHBondContact O-N 3.26Å; M44-L48 WeakPolarHBondContact O-CB 3.45Å; M44-L48 VanDerWaalsContact O-CG 3.26Å; M44-L48 WeakPolarHBondContact O-CG 3.46Å; M44-L48 PolarHBondContact O-N 2.85Å |
| 45 | K | 92.1 | Very high | 88.4 | Confident | 129 Ų | 129 | 107.9 Ų | 107.9 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.6 | -42.6 | 175.8 | -83.1 | 177.9 | 177.6 | 175.4 | 0 | 112.3 | L41 Q42 Q43 L48 T49 | L41-K45 PolarHBondContact O-N 2.78Å; L41-K45 VanDerWaalsContact O-N 3.14Å; Q42-K45 WeakPolarHBondContact O-CB 3.26Å; Q42-K45 PolarHBondContact O-N 3.2Å; Q43-K45 VanDerWaalsContact C-N 3.3Å; Q43-K45 PolarHBondContact O-N 3.38Å; K45-L48 PolarHBondContact O-N 3.3Å; K45-T49 WeakPolarHBondContact O-CB 3.48Å; K45-T49 PolarHBondContact O-N 3.43Å; K45-T49 PolarHBondContact O-OG1 2.8Å |
| 46 | E | 91.9 | Very high | 87.9 | Confident | 110 Ų | 110 | 106.1 Ų | 106.1 | 51% | 0.514 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.6 | -49.7 | 177.6 | -69 | -179.7 | 91.9 | 0 | 0 | 110 | Q42 Q43 L48 T49 E50 | Q42-E46 PolarHBondContact O-N 3.2Å; Q43-E46 PolarHBondContact O-N 3.44Å; E46-L48 PolarHBondContact O-N 3.5Å; E46-T49 WeakPolarHBondContact O-CB 3.3Å; E46-T49 PolarHBondContact O-N 3.45Å; E46-E50 WeakPolarHBondContact O-CG 3.42Å; E46-E50 PolarHBondContact O-N 3.47Å |
| 47 | L | 90.9 | Very high | 86.7 | Confident | 101 Ų | 101 | 109.5 Ų | 109.5 | 53% | 0.529 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -56.9 | -44.3 | 176 | -98.1 | 118.2 | 0 | 0 | 0 | 113.2 | Q43 M44 T49 E50 N51 | Q43-L47 HydrophobicContact CG-CD1 4.15Å; Q43-L47 WeakPolarHBondContact O-CD1 3.48Å; Q43-L47 PolarHBondContact O-N 2.92Å; Q43-L47 VanDerWaalsContact O-N 3.08Å; M44-L47 PolarHBondContact O-N 3.26Å; L47-T49 VanDerWaalsContact C-N 3.3Å; L47-T49 PolarHBondContact O-N 3.43Å; L47-E50 PolarHBondContact O-N 3.33Å; L47-N51 WeakPolarHBondContact O-CB 3.4Å; L47-N51 PolarHBondContact O-N 3.47Å |
| 48 | L | 92 | Very high | 85.5 | Confident | 93 Ų | 93 | 116.2 Ų | 116.2 | 49% | 0.487 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.1 | -38.3 | 177.8 | -73.4 | 169.9 | 0 | 0 | 0 | 111.7 | M44 K45 E46 N51 H52 | M44-L48 WeakPolarHBondContact O-CB 3.45Å; M44-L48 VanDerWaalsContact O-CG 3.26Å; M44-L48 WeakPolarHBondContact O-CG 3.46Å; M44-L48 PolarHBondContact O-N 2.85Å; K45-L48 PolarHBondContact O-N 3.3Å; E46-L48 PolarHBondContact O-N 3.5Å; L48-N51 PolarHBondContact O-N 3.07Å; L48-H52 WeakPolarHBondContact O-CB 3.25Å; L48-H52 PolarHBondContact O-CD2 3.36Å; L48-H52 PolarHBondContact O-N 2.65Å |
| 49 | T | 91.2 | Very high | 85.1 | Confident | 82 Ų | 82 | 113.8 Ų | 113.8 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.7 | -49.2 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | K45 E46 L47 N51 H52 Q53 | K45-T49 WeakPolarHBondContact O-CB 3.48Å; K45-T49 PolarHBondContact O-N 3.43Å; K45-T49 PolarHBondContact O-OG1 2.8Å; E46-T49 WeakPolarHBondContact O-CB 3.3Å; E46-T49 PolarHBondContact O-N 3.45Å; L47-T49 VanDerWaalsContact C-N 3.3Å; L47-T49 PolarHBondContact O-N 3.43Å; T49-N51 VanDerWaalsContact C-N 3.31Å; T49-N51 PolarHBondContact O-N 3.09Å; T49-H52 PolarHBondContact O-N 3.27Å; T49-Q53 WeakPolarHBondContact O-CG 3.13Å; T49-Q53 PolarHBondContact O-N 2.95Å; T49-Q53 VanDerWaalsContact O-N 3.09Å |
| 50 | E | 87 | Confident | 85 | Confident | 115 Ų | 115 | 114.5 Ų | 114.5 | 54% | 0.537 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -59.5 | -43.7 | 174.4 | -67 | -173.8 | 102.3 | 0 | 0 | 111.3 | E46 L47 H52 Q53 L54 | E46-E50 WeakPolarHBondContact O-CG 3.42Å; E46-E50 PolarHBondContact O-N 3.47Å; L47-E50 PolarHBondContact O-N 3.33Å; E50-H52 PolarHBondContact O-N 3.29Å; E50-Q53 PolarHBondContact O-N 2.71Å; E50-L54 VanDerWaalsContact O-CG 3.25Å; E50-L54 WeakPolarHBondContact O-CG 3.45Å; E50-L54 PolarHBondContact O-N 2.78Å |
| 51 | N | 87.3 | Confident | 84.8 | Confident | 86 Ų | 86 | 117.6 Ų | 117.6 | 46% | 0.46 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -60.8 | -44 | 178.6 | -169.2 | -93.4 | 0 | 0 | 0 | 112 | L47 L48 T49 Q53 L54 K55 | L47-N51 WeakPolarHBondContact O-CB 3.4Å; L47-N51 PolarHBondContact O-N 3.47Å; L48-N51 PolarHBondContact O-N 3.07Å; T49-N51 VanDerWaalsContact C-N 3.31Å; T49-N51 PolarHBondContact O-N 3.09Å; N51-Q53 VanDerWaalsContact C-N 3.35Å; N51-Q53 PolarHBondContact O-N 3.23Å; N51-L54 PolarHBondContact O-N 2.89Å; N51-K55 VanDerWaalsContact O-CB 3.3Å; N51-K55 WeakPolarHBondContact O-CB 3.42Å; N51-K55 PolarHBondContact O-N 2.9Å |
| 52 | H | 88.6 | Confident | 84.3 | Confident | 128 Ų | 128 | 118.1 Ų | 118.1 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.3 | -37.9 | 177.5 | -69.9 | 172.5 | 0 | 0 | 0 | 112.4 | L48 T49 E50 L54 G56 | L48-H52 WeakPolarHBondContact O-CB 3.25Å; L48-H52 PolarHBondContact O-CD2 3.36Å; L48-H52 PolarHBondContact O-N 2.65Å; T49-H52 PolarHBondContact O-N 3.27Å; E50-H52 PolarHBondContact O-N 3.29Å; H52-L54 VanDerWaalsContact C-N 3.35Å; H52-G56 PolarHBondContact O-N 2.85Å |
| 53 | Q | 82.7 | Confident | 83.9 | Confident | 158 Ų | 158 | 119.1 Ų | 119.1 | 74% | 0.738 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -65.6 | -39.3 | 174.9 | -68.9 | -162.8 | 102.4 | 0 | 0 | 112.1 | T49 E50 N51 | T49-Q53 WeakPolarHBondContact O-CG 3.13Å; T49-Q53 PolarHBondContact O-N 2.95Å; T49-Q53 VanDerWaalsContact O-N 3.09Å; E50-Q53 PolarHBondContact O-N 2.71Å; N51-Q53 VanDerWaalsContact C-N 3.35Å; N51-Q53 PolarHBondContact O-N 3.23Å |
| 54 | L | 81.2 | Confident | 83.5 | Confident | 151 Ų | 151 | 123.4 Ų | 123.4 | 79% | 0.791 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -72.3 | -38.7 | 178.5 | -69.4 | 171 | 0 | 0 | 0 | 112.8 | E50 N51 H52 G56 | E50-L54 VanDerWaalsContact O-CG 3.25Å; E50-L54 WeakPolarHBondContact O-CG 3.45Å; E50-L54 PolarHBondContact O-N 2.78Å; N51-L54 PolarHBondContact O-N 2.89Å; H52-L54 VanDerWaalsContact C-N 3.35Å; L54-G56 PolarHBondContact O-N 2.79Å |
| 55 | K | 82.5 | Confident | 83 | Confident | 170 Ų | 170 | 124.8 Ų | 124.8 | 74% | 0.739 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.2 | -21.6 | -178.8 | -154.1 | 176.5 | -176.4 | -167.8 | 0 | 112.1 | N51 | N51-K55 VanDerWaalsContact O-CB 3.3Å; N51-K55 WeakPolarHBondContact O-CB 3.42Å; N51-K55 PolarHBondContact O-N 2.9Å |
| 56 | G | 67.7 | Low | 82.3 | Confident | 33 Ų | 33 | 124.5 Ų | 124.5 | 34% | 0.34 | 64% | 0.638 | S | S | . | * | | | trans | 65.4 | 161.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H52 L54 H58 | H52-G56 PolarHBondContact O-N 2.85Å; L54-G56 PolarHBondContact O-N 2.79Å; G56-H58 PolarHBondContact O-N 2.6Å |
| 57 | P | 65.6 | Low | 81.5 | Confident | 139 Ų | 139 | 125.7 Ų | 125.7 | 90% | 0.903 | 65% | 0.649 | S | S | * | * | | | trans | -63.4 | 124.1 | 171.6 | 27.2 | -31.5 | 0 | 0 | 0 | 109.1 | | |
| 58 | H | 61.7 | Low | 80.7 | Confident | 252 Ų | 252 | 127.9 Ų | 127.9 | 100% | 1.167 | 66% | 0.66 | S | S | * | * | | | trans | -79.7 | 0 | 173.8 | -166.4 | -61.8 | 0 | 0 | 0 | 111.2 | G56 | G56-H58 PolarHBondContact O-N 2.6Š|