| 1 | M | 40.5 | Very low | 51 | Low | 237 Ų | 237 | 140.9 Ų | 140.9 | 100% | 1.167 | 82% | 0.818 | S | S | * | * | | | | 0 | 108.6 | 0 | -97.5 | 159.1 | 167.8 | 0 | 0 | 107.3 | | |
| 2 | A | 45.4 | Very low | 51.5 | Low | 107 Ų | 107 | 145.9 Ų | 145.9 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | -118.3 | 118.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 3 | F | 45.4 | Very low | 51.9 | Low | 197 Ų | 197 | 153.4 Ų | 153.4 | 86% | 0.864 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 122.5 | 178.5 | -79.3 | -99.5 | 0 | 0 | 0 | 108.4 | | |
| 4 | A | 55.7 | Low | 52.6 | Low | 94 Ų | 94 | 151.4 Ų | 151.4 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 130.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | S6 | A4-S6 PolarHBondContact O-N 3.16Š|
| 5 | P | 53.8 | Low | 52.8 | Low | 119 Ų | 119 | 149.7 Ų | 149.7 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 116.2 | 173 | 30.4 | -29.9 | 0 | 0 | 0 | 108.5 | F7 | P5-F7 PolarHBondContact O-N 2.85Š|
| 6 | S | 50.5 | Low | 53 | Low | 116 Ų | 116 | 149.3 Ų | 149.3 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | | | trans | -72.2 | 113.6 | 165.9 | 52.2 | 0 | 0 | 0 | 0 | 108.3 | A4 | A4-S6 PolarHBondContact O-N 3.16Š|
| 7 | F | 54.9 | Low | 53.2 | Low | 177 Ų | 177 | 143.4 Ų | 143.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | | | trans | -85.8 | 117 | 165.9 | 57.5 | -86.8 | 0 | 0 | 0 | 107.9 | P5 T9 | P5-F7 PolarHBondContact O-N 2.85Å; F7-T9 HydrophobicContact CD2-CG2 3.82Å; F7-T9 HydrophobicContact CE2-CG2 3.91Å; F7-T9 PolarHBondContact O-N 3.36Å |
| 8 | E | 54.3 | Low | 53.3 | Low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | | | trans | -76.7 | 112.4 | 164.9 | -82.8 | 173.9 | 154.6 | 0 | 0 | 107.6 | | |
| 9 | T | 55.8 | Low | 53.4 | Low | 108 Ų | 108 | 141.2 Ų | 141.2 | 66% | 0.663 | 76% | 0.76 | S | S | * | * | | | trans | -73.6 | 124.6 | 171.2 | 46.2 | 0 | 0 | 0 | 0 | 109.3 | F7 S11 | F7-T9 HydrophobicContact CD2-CG2 3.82Å; F7-T9 HydrophobicContact CE2-CG2 3.91Å; F7-T9 PolarHBondContact O-N 3.36Å; T9-S11 PolarHBondContact O-N 3.35Å |
| 10 | P | 55.7 | Low | 53.4 | Low | 91 Ų | 91 | 137.5 Ų | 137.5 | 59% | 0.591 | 75% | 0.746 | S | S | * | * | | | trans | -65.3 | 124 | 174.4 | 25.6 | -31.4 | 0 | 0 | 0 | 109.7 | Y12 | P10-Y12 HydrophobicContact CB-CE2 4.2Å; P10-Y12 HydrophobicContact CG-CE2 3.89Å; P10-Y12 PolarHBondContact O-N 3.13Å |
| 11 | S | 48.5 | Very low | 53.2 | Low | 115 Ų | 115 | 140.1 Ų | 140.1 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | trans | -83.8 | 99 | 174.6 | 47.5 | 0 | 0 | 0 | 0 | 109.7 | T9 R13 | T9-S11 PolarHBondContact O-N 3.35Å; S11-R13 PolarHBondContact O-N 3.32Å |
| 12 | Y | 57.7 | Low | 53.8 | Low | 201 Ų | 201 | 133.6 Ų | 133.6 | 79% | 0.788 | 72% | 0.715 | S | S | * | * | | | trans | -73.3 | 113.4 | 168.8 | -63 | -82.3 | 0 | 0 | 0 | 108.9 | P10 L14 | P10-Y12 HydrophobicContact CB-CE2 4.2Å; P10-Y12 HydrophobicContact CG-CE2 3.89Å; P10-Y12 PolarHBondContact O-N 3.13Å; Y12-L14 PolarHBondContact O-N 2.86Å |
| 13 | R | 56.4 | Low | 54 | Low | 243 Ų | 243 | 133.9 Ų | 133.9 | 92% | 0.917 | 70% | 0.701 | S | S | * | * | | | trans | -77 | 107.7 | 168.7 | -76.2 | -176.7 | 141.3 | -162.7 | -6.1 | 108.5 | S11 N15 | S11-R13 PolarHBondContact O-N 3.32Å; R13-N15 PolarHBondContact O-N 3.06Å |
| 14 | L | 61.2 | Low | 54.3 | Low | 125 Ų | 125 | 132.5 Ų | 132.5 | 65% | 0.654 | 70% | 0.695 | S | S | * | * | | | trans | -65.3 | 116.6 | 168.7 | -71.4 | 169.3 | 0 | 0 | 0 | 108.8 | Y12 F16 | Y12-L14 PolarHBondContact O-N 2.86Å; L14-F16 HydrophobicContact CB-CD2 4.39Å; L14-F16 HydrophobicContact CB-CE2 3.85Å; L14-F16 HydrophobicContact CB-CZ 3.94Å; L14-F16 HydrophobicContact CD1-CZ 4.13Å; L14-F16 WeakPolarHBondContact O-CD2 3.37Å; L14-F16 PolarHBondContact O-N 3.18Å |
| 15 | N | 55.4 | Low | 54.2 | Low | 126 Ų | 126 | 135 Ų | 135 | 67% | 0.674 | 69% | 0.691 | S | S | * | * | | | trans | -89.4 | 88.1 | 178.7 | -148.4 | -17.2 | 0 | 0 | 0 | 108.5 | R13 G17 | R13-N15 PolarHBondContact O-N 3.06Å; N15-G17 PolarHBondContact O-N 2.99Å; N15-G17 VanDerWaalsContact O-N 3.11Å |
| 16 | F | 56.5 | Low | 54.2 | Low | 143 Ų | 143 | 136 Ų | 136 | 63% | 0.627 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -62.9 | -13.8 | -177.9 | -65.7 | -82.4 | 0 | 0 | 0 | 113.7 | L14 L18 L19 S20 | L14-F16 HydrophobicContact CB-CD2 4.39Å; L14-F16 HydrophobicContact CB-CE2 3.85Å; L14-F16 HydrophobicContact CB-CZ 3.94Å; L14-F16 HydrophobicContact CD1-CZ 4.13Å; L14-F16 WeakPolarHBondContact O-CD2 3.37Å; L14-F16 PolarHBondContact O-N 3.18Å; F16-L18 VanDerWaalsContact C-N 3.31Å; F16-L18 PolarHBondContact O-N 3.2Å; F16-L19 PolarHBondContact O-N 3.39Å; F16-S20 PolarHBondContact O-N 2.92Å |
| 17 | G | 56.7 | Low | 54.2 | Low | 50 Ų | 50 | 133.7 Ų | 133.7 | 52% | 0.515 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -66.8 | -24.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N15 S20 | N15-G17 PolarHBondContact O-N 2.99Å; N15-G17 VanDerWaalsContact O-N 3.11Å; G17-S20 PolarHBondContact O-OG 3.05Å |
| 18 | L | 55.2 | Low | 53.7 | Low | 140 Ų | 140 | 127 Ų | 127 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -93.4 | -19.3 | 176.9 | -73 | 168.9 | 0 | 0 | 0 | 113.2 | F16 | F16-L18 VanDerWaalsContact C-N 3.31Å; F16-L18 PolarHBondContact O-N 3.2Å |
| 19 | L | 54.4 | Low | 53.7 | Low | 104 Ų | 104 | 124.2 Ų | 124.2 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -80.4 | -27 | 179.1 | -77.5 | 157.3 | 0 | 0 | 0 | 112 | F16 L23 | F16-L19 PolarHBondContact O-N 3.39Å; L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 PolarHBondContact O-N 3.2Å; L19-L23 VanDerWaalsContact O-N 3.08Å |
| 20 | S | 54.9 | Low | 53.4 | Low | 67 Ų | 67 | 126 Ų | 126 | 47% | 0.469 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -71 | -36.4 | -176.3 | 57.4 | 0 | 0 | 0 | 0 | 113.3 | F16 G17 F24 | F16-S20 PolarHBondContact O-N 2.92Å; G17-S20 PolarHBondContact O-OG 3.05Å; S20-F24 WeakPolarHBondContact O-CB 3.21Å; S20-F24 PolarHBondContact O-N 3.05Å |
| 21 | W | 48.4 | Very low | 52.9 | Low | 193 Ų | 193 | 129.7 Ų | 129.7 | 73% | 0.731 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.9 | -43.5 | 177.9 | -86.8 | 49.5 | 0 | 0 | 0 | 112.4 | L23 F24 E25 | W21-L23 VanDerWaalsContact C-N 3.31Å; W21-L23 PolarHBondContact O-N 3.25Å; W21-F24 PolarHBondContact O-N 3.02Å; W21-E25 PolarHBondContact O-N 2.87Å; W21-E25 VanDerWaalsContact O-N 3.08Å |
| 22 | N | 54 | Low | 53 | Low | 101 Ų | 101 | 130.5 Ų | 130.5 | 54% | 0.54 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -67.4 | -32.8 | -179.8 | -133 | -30.8 | 0 | 0 | 0 | 112 | L26 | N22-L26 WeakPolarHBondContact O-CB 3.18Å; N22-L26 WeakPolarHBondContact O-CD1 3.36Å; N22-L26 WeakPolarHBondContact O-CG 3.39Å; N22-L26 PolarHBondContact O-N 3.37Å |
| 23 | L | 49.7 | Very low | 52.4 | Low | 113 Ų | 113 | 127.9 Ų | 127.9 | 59% | 0.592 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.9 | -36.4 | 175.3 | -167 | 65.1 | 0 | 0 | 0 | 112.1 | L19 W21 L26 T27 | L19-L23 WeakPolarHBondContact O-CB 3.4Å; L19-L23 PolarHBondContact O-N 3.2Å; L19-L23 VanDerWaalsContact O-N 3.08Å; W21-L23 VanDerWaalsContact C-N 3.31Å; W21-L23 PolarHBondContact O-N 3.25Å; L23-L26 PolarHBondContact O-N 3.33Å; L23-T27 HydrophobicContact CD1-CG2 4.43Å; L23-T27 PolarHBondContact O-N 3.26Å; L23-T27 PolarHBondContact O-OG1 3.16Å |
| 24 | F | 51.3 | Low | 51.9 | Low | 168 Ų | 168 | 119.9 Ų | 119.9 | 74% | 0.737 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -70.9 | -33.2 | 179.4 | -148.1 | -93.4 | 0 | 0 | 0 | 112.7 | S20 W21 T27 | S20-F24 WeakPolarHBondContact O-CB 3.21Å; S20-F24 PolarHBondContact O-N 3.05Å; W21-F24 PolarHBondContact O-N 3.02Å; F24-T27 CarbonylContact O-C 3.45Å |
| 25 | E | 52.3 | Low | 51.5 | Low | 146 Ų | 146 | 122.4 Ų | 122.4 | 68% | 0.682 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -71.3 | -34.2 | 172.8 | -73.2 | -177.7 | 178.9 | 0 | 0 | 112.7 | W21 | W21-E25 PolarHBondContact O-N 2.87Å; W21-E25 VanDerWaalsContact O-N 3.08Å |
| 26 | L | 54.1 | Low | 51.2 | Low | 139 Ų | 139 | 118.8 Ų | 118.8 | 73% | 0.728 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -78.5 | -29.9 | 176.9 | -77.5 | 166.9 | 0 | 0 | 0 | 113.1 | N22 L23 | N22-L26 WeakPolarHBondContact O-CB 3.18Å; N22-L26 WeakPolarHBondContact O-CD1 3.36Å; N22-L26 WeakPolarHBondContact O-CG 3.39Å; N22-L26 PolarHBondContact O-N 3.37Å; L23-L26 PolarHBondContact O-N 3.33Å |
| 27 | T | 50.2 | Low | 51 | Low | 68 Ų | 68 | 117.6 Ų | 117.6 | 42% | 0.417 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -102.7 | 62.8 | 173.2 | 66.2 | 0 | 0 | 0 | 0 | 109.7 | L23 F24 | L23-T27 HydrophobicContact CD1-CG2 4.43Å; L23-T27 PolarHBondContact O-N 3.26Å; L23-T27 PolarHBondContact O-OG1 3.16Å; F24-T27 CarbonylContact O-C 3.45Å |
| 28 | G | 46 | Very low | 50.6 | Low | 36 Ų | 36 | 124.5 Ų | 124.5 | 37% | 0.371 | 65% | 0.648 | S | S | . | * | | | trans | -51.4 | 162.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D30 F31 | G28-D30 PolarHBondContact O-N 3.28Å; G28-F31 PolarHBondContact O-N 3.32Å; G28-F31 VanDerWaalsContact O-N 3.17Å |
| 29 | T | 53.2 | Low | 50.4 | Low | 131 Ų | 131 | 123.4 Ų | 123.4 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -49.7 | -6.2 | -178.2 | 40.4 | 0 | 0 | 0 | 0 | 115.8 | F31 | T29-F31 VanDerWaalsContact C-N 3.34Å; T29-F31 PolarHBondContact O-N 3.11Å |
| 30 | D | 49 | Very low | 50.1 | Low | 145 Ų | 145 | 126.1 Ų | 126.1 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -68.6 | -18 | 172.8 | -74.4 | -24.9 | 0 | 0 | 0 | 115.1 | G28 V32 N33 | G28-D30 PolarHBondContact O-N 3.28Å; D30-V32 PolarHBondContact O-N 3.28Å; D30-N33 PolarHBondContact O-N 3.32Å |
| 31 | F | 45.1 | Very low | 49.8 | Very low | 169 Ų | 169 | 131.7 Ų | 131.7 | 74% | 0.741 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -73.5 | -17.2 | 176.4 | -151.3 | -93.8 | 0 | 0 | 0 | 113.5 | G28 T29 N33 | G28-F31 PolarHBondContact O-N 3.32Å; G28-F31 VanDerWaalsContact O-N 3.17Å; T29-F31 VanDerWaalsContact C-N 3.34Å; T29-F31 PolarHBondContact O-N 3.11Å; F31-N33 PolarHBondContact O-N 3.3Å |
| 32 | V | 51 | Low | 49.9 | Very low | 133 Ų | 133 | 130.2 Ų | 130.2 | 81% | 0.806 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -77.9 | -7.8 | -178.7 | -166.7 | 0 | 0 | 0 | 0 | 111.6 | D30 | D30-V32 PolarHBondContact O-N 3.28Š|
| 33 | N | 44.8 | Very low | 49.8 | Very low | 146 Ų | 146 | 132.3 Ų | 132.3 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | | | trans | -127.2 | 57.5 | -170.6 | -150.6 | -1.9 | 0 | 0 | 0 | 112.8 | D30 F31 | D30-N33 PolarHBondContact O-N 3.32Å; F31-N33 PolarHBondContact O-N 3.3Å |
| 34 | S | 46.9 | Very low | 49.8 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 52% | 0.524 | 69% | 0.686 | S | S | . | * | | | trans | -141.3 | 130.4 | 160.2 | 84.1 | 0 | 0 | 0 | 0 | 113.4 | A36 | S34-A36 PolarHBondContact O-N 3.43Š|
| 35 | K | 51.7 | Low | 49.4 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.8 | 4.5 | 172.5 | -123.7 | 163.1 | 171.8 | 177 | 0 | 116 | | |
| 36 | A | 50.1 | Low | 49.1 | Very low | 50 Ų | 50 | 129.7 Ų | 129.7 | 41% | 0.413 | 69% | 0.692 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.2 | -28 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S34 R38 N39 F40 | S34-A36 PolarHBondContact O-N 3.43Å; A36-R38 PolarHBondContact O-N 3.35Å; A36-N39 PolarHBondContact O-N 3.34Å; A36-F40 WeakPolarHBondContact O-CD2 3.46Å |
| 37 | V | 51.3 | Low | 49 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 72% | 0.715 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -64.8 | -24.8 | -178.8 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | N39 | V37-N39 PolarHBondContact O-N 3.1Š|
| 38 | R | 49.1 | Very low | 49.2 | Very low | 194 Ų | 194 | 139.3 Ų | 139.3 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -79 | -10.5 | -177.4 | -99.6 | -174.9 | -74.4 | 172.2 | -6.8 | 115.7 | A36 | A36-R38 PolarHBondContact O-N 3.35Š|
| 39 | N | 51.3 | Low | 49.2 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 63% | 0.626 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -106.5 | -4.4 | -178 | -86.1 | -25 | 0 | 0 | 0 | 114.7 | A36 V37 H41 | A36-N39 PolarHBondContact O-N 3.34Å; V37-N39 PolarHBondContact O-N 3.1Å; N39-H41 VanDerWaalsContact C-N 3.3Å; N39-H41 PolarHBondContact O-N 3.02Å |
| 40 | F | 47.8 | Very low | 49.2 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -12 | 177.8 | -88.4 | -84.8 | 0 | 0 | 0 | 114.6 | A36 | A36-F40 WeakPolarHBondContact O-CD2 3.46Š|
| 41 | H | 48.7 | Very low | 49.4 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 85% | 0.847 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -1.7 | -175.5 | -95 | -101.7 | 0 | 0 | 0 | 115.8 | N39 | N39-H41 VanDerWaalsContact C-N 3.3Å; N39-H41 PolarHBondContact O-N 3.02Å |
| 42 | K | 51.2 | Low | 50 | Low | 162 Ų | 162 | 146.2 Ų | 146.2 | 70% | 0.704 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -107.2 | -12.9 | -166.4 | -69.7 | -175.4 | 178.5 | 178.8 | 0 | 116.6 | | |
| 43 | N | 50.7 | Low | 50.6 | Low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -133.2 | 20.9 | -161.9 | -72.7 | -16.6 | 0 | 0 | 0 | 116.5 | | |
| 44 | L | 49.8 | Very low | 51.3 | Low | 143 Ų | 143 | 146.6 Ų | 146.6 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | | | trans | -119.3 | 124.6 | 175 | -76.6 | 167.5 | 0 | 0 | 0 | 111.6 | S46 | L44-S46 PolarHBondContact O-N 2.81Š|
| 45 | P | 43.9 | Very low | 52.3 | Low | 120 Ų | 120 | 148.7 Ų | 148.7 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | | | trans | -63.6 | 119.2 | 172.3 | 26.7 | -30.3 | 0 | 0 | 0 | 108.4 | E47 | P45-E47 PolarHBondContact O-N 2.88Š|
| 46 | S | 44.8 | Very low | 52.8 | Low | 109 Ų | 109 | 147.9 Ų | 147.9 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | | | trans | -79.7 | 77.4 | -169.8 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | L44 | L44-S46 PolarHBondContact O-N 2.81Š|
| 47 | E | 53.4 | Low | 53.4 | Low | 191 Ų | 191 | 151.9 Ų | 151.9 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | -98.2 | 19.9 | 163.5 | -72.8 | -166.9 | 136 | 0 | 0 | 112.4 | P45 C49 | P45-E47 PolarHBondContact O-N 2.88Å; E47-C49 VanDerWaalsContact C-N 3.35Å; E47-C49 PolarHBondContact O-N 3.25Å |
| 48 | R | 53.8 | Low | 53.9 | Low | 219 Ų | 219 | 152.8 Ų | 152.8 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | | | trans | -75.7 | 94.6 | 163.3 | -85 | -174.8 | 148.5 | 135.8 | -2.9 | 108.1 | E50 | R48-E50 VanDerWaalsContact C-N 3.28Å; R48-E50 PolarHBondContact O-N 3.08Å |
| 49 | C | 45 | Very low | 54.6 | Low | 129 Ų | 129 | 147.4 Ų | 147.4 | 87% | 0.872 | 75% | 0.752 | S | S | * | * | | | trans | -54.7 | 98.6 | 160.6 | -150.5 | 0 | 0 | 0 | 0 | 106.9 | E47 R51 | E47-C49 VanDerWaalsContact C-N 3.35Å; E47-C49 PolarHBondContact O-N 3.25Å; C49-R51 PolarHBondContact O-N 3.39Å |
| 50 | E | 54.3 | Low | 54.9 | Low | 165 Ų | 165 | 147.9 Ų | 147.9 | 77% | 0.771 | 75% | 0.754 | S | S | * | * | | | trans | -62.2 | 97.8 | 176.6 | -72.7 | 176.5 | 161.5 | 0 | 0 | 107.7 | R48 S52 | R48-E50 VanDerWaalsContact C-N 3.28Å; R48-E50 PolarHBondContact O-N 3.08Å; E50-S52 PolarHBondContact O-N 3.38Å |
| 51 | R | 53 | Low | 55.4 | Low | 229 Ų | 229 | 146.6 Ų | 146.6 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | | | trans | -74.6 | 86.4 | 165.2 | -172.1 | 177.2 | 179.9 | 173.1 | -0.9 | 107.1 | C49 V53 | C49-R51 PolarHBondContact O-N 3.39Å; R51-V53 HydrophobicContact CG-CG2 4.34Å; R51-V53 PolarHBondContact O-N 3.34Å |
| 52 | S | 57.3 | Low | 56 | Low | 102 Ų | 102 | 145.3 Ų | 145.3 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | trans | -65 | 101.4 | 172.2 | -43.1 | 0 | 0 | 0 | 0 | 108.7 | E50 | E50-S52 PolarHBondContact O-N 3.38Š|
| 53 | V | 62.8 | Low | 56.3 | Low | 101 Ų | 101 | 145.6 Ų | 145.6 | 61% | 0.612 | 76% | 0.758 | S | S | * | * | | | trans | -91 | 109.8 | 164.8 | -180 | 0 | 0 | 0 | 0 | 106.1 | R51 V55 | R51-V53 HydrophobicContact CG-CG2 4.34Å; R51-V53 PolarHBondContact O-N 3.34Å; V53-V55 HydrophobicContact CG1-CG2 3.88Å; V53-V55 PolarHBondContact O-N 3.27Å |
| 54 | Q | 59.9 | Low | 56.6 | Low | 187 Ų | 187 | 144.9 Ų | 144.9 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | | | trans | -72.9 | 105.6 | 166.2 | -67.5 | -176.1 | -2.8 | 0 | 0 | 106.9 | | |
| 55 | V | 67.9 | Low | 56.9 | Low | 118 Ų | 118 | 147.3 Ų | 147.3 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | | | trans | -91.1 | 112.4 | 167.4 | -178.9 | 0 | 0 | 0 | 0 | 105.7 | V53 D57 | V53-V55 HydrophobicContact CG1-CG2 3.88Å; V53-V55 PolarHBondContact O-N 3.27Å; V55-D57 PolarHBondContact O-N 3.16Å |
| 56 | E | 63.3 | Low | 57.6 | Low | 161 Ų | 161 | 150.9 Ų | 150.9 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -69 | 112.2 | 166.8 | -74.5 | -177.8 | 164.6 | 0 | 0 | 108 | N58 | E56-N58 VanDerWaalsContact C-N 3.33Å; E56-N58 PolarHBondContact O-N 3.3Å; E56-N58 VanDerWaalsContact O-N 3.09Å |
| 57 | D | 62.5 | Low | 58.4 | Low | 135 Ų | 135 | 153.2 Ų | 153.2 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | -81.2 | 81.2 | 177.6 | -155.8 | 16.5 | 0 | 0 | 0 | 108.5 | V55 V59 | V55-D57 PolarHBondContact O-N 3.16Å; D57-V59 PolarHBondContact O-N 3.09Å; D57-V59 WeakPolarHBondContact OD1-CG2 3.36Å |
| 58 | N | 62.1 | Low | 58.7 | Low | 137 Ų | 137 | 153.9 Ų | 153.9 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | | | trans | -89 | 47.6 | 172.1 | -68.1 | -45.1 | 0 | 0 | 0 | 110.2 | E56 D60 | E56-N58 VanDerWaalsContact C-N 3.33Å; E56-N58 PolarHBondContact O-N 3.3Å; E56-N58 VanDerWaalsContact O-N 3.09Å; N58-D60 PolarHBondContact O-N 2.81Å |
| 59 | V | 62.4 | Low | 58.9 | Low | 80 Ų | 80 | 149.8 Ų | 149.8 | 49% | 0.485 | 76% | 0.76 | S | S | . | * | | | trans | -81.7 | 101.1 | 171.8 | 178.6 | 0 | 0 | 0 | 0 | 107.3 | D57 D61 | D57-V59 PolarHBondContact O-N 3.09Å; D57-V59 WeakPolarHBondContact OD1-CG2 3.36Å; V59-D61 PolarHBondContact O-N 2.98Å; V59-D61 VanDerWaalsContact O-N 3.16Å |
| 60 | D | 57.9 | Low | 60.2 | Low | 127 Ų | 127 | 152.2 Ų | 152.2 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | | | trans | -66.9 | 105.2 | 166.4 | -132.6 | -18.5 | 0 | 0 | 0 | 107 | N58 D62 | N58-D60 PolarHBondContact O-N 2.81Å; D60-D62 PolarHBondContact O-N 2.9Å; D60-D62 VanDerWaalsContact O-N 3.1Å |
| 61 | D | 59.8 | Low | 60.7 | Low | 136 Ų | 136 | 153 Ų | 153 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -8.6 | -175.8 | -90.2 | -27.1 | 0 | 0 | 0 | 113.1 | V59 | V59-D61 PolarHBondContact O-N 2.98Å; V59-D61 VanDerWaalsContact O-N 3.16Å |
| 62 | D | 60.4 | Low | 61.6 | Low | 156 Ų | 156 | 148.6 Ų | 148.6 | 83% | 0.834 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | -0.5 | -170.3 | -77.1 | -29.1 | 0 | 0 | 0 | 115.2 | D60 | D60-D62 PolarHBondContact O-N 2.9Å; D60-D62 VanDerWaalsContact O-N 3.1Å |
| 63 | E | 57.8 | Low | 62.3 | Low | 167 Ų | 167 | 149.4 Ų | 149.4 | 78% | 0.78 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -115.1 | 5 | -173.5 | -136 | 176.8 | -168.5 | 0 | 0 | 116.3 | | |
| 64 | Q | 57 | Low | 62.7 | Low | 130 Ų | 130 | 150 Ų | 150 | 61% | 0.607 | 76% | 0.757 | S | S | * | * | | | trans | -87.7 | 0.2 | -172.8 | -68.3 | -146.6 | 63.6 | 0 | 0 | 116.9 | K66 | Q64-K66 VanDerWaalsContact C-N 3.31Å; Q64-K66 PolarHBondContact O-N 3.37Å |
| 65 | E | 56.1 | Low | 63.2 | Low | 195 Ų | 195 | 147.9 Ų | 147.9 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 13.1 | -175.9 | -67.2 | -146.1 | 158.4 | 0 | 0 | 116.4 | | |
| 66 | K | 58.7 | Low | 62.9 | Low | 194 Ų | 194 | 151.1 Ų | 151.1 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | 12.7 | -172.9 | -75.4 | -176.2 | -178 | 170.8 | 0 | 117.5 | Q64 | Q64-K66 VanDerWaalsContact C-N 3.31Å; Q64-K66 PolarHBondContact O-N 3.37Å |
| 67 | Q | 60.4 | Low | 63.2 | Low | 158 Ų | 158 | 150.6 Ų | 150.6 | 74% | 0.738 | 76% | 0.761 | S | S | * | * | | | trans | -99.2 | -2.7 | -174.6 | -67.9 | -169.1 | 20.9 | 0 | 0 | 116.3 | T69 | Q67-T69 PolarHBondContact O-N 3.28Š|
| 68 | F | 60.2 | Low | 63.2 | Low | 205 Ų | 205 | 153 Ų | 153 | 90% | 0.899 | 77% | 0.768 | S | S | * | * | | | trans | -80.3 | 92.7 | 171.2 | -62.9 | -73.9 | 0 | 0 | 0 | 109.5 | E70 | F68-E70 PolarHBondContact O-N 3.26Š|
| 69 | T | 59.1 | Low | 63.5 | Low | 134 Ų | 134 | 153 Ų | 153 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | | | trans | -69.5 | 109.1 | 160.8 | -54.2 | 0 | 0 | 0 | 0 | 106.3 | Q67 F71 | Q67-T69 PolarHBondContact O-N 3.28Å; T69-F71 PolarHBondContact O-N 2.9Å |
| 70 | E | 70.9 | Confident | 63.6 | Low | 180 Ų | 180 | 157.4 Ų | 157.4 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | trans | -51 | 119.3 | 173.4 | -173.4 | 169.7 | -164.3 | 0 | 0 | 109.2 | F68 | F68-E70 PolarHBondContact O-N 3.26Š|
| 71 | F | 65.7 | Low | 63.7 | Low | 181 Ų | 181 | 160.2 Ų | 160.2 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -83.2 | 120.6 | 170.5 | -174.9 | -95.6 | 0 | 0 | 0 | 106.8 | T69 V73 | T69-F71 PolarHBondContact O-N 2.9Å; F71-V73 PolarHBondContact O-N 3.08Å |
| 72 | D | 72.9 | Confident | 63.5 | Low | 136 Ų | 136 | 161.8 Ų | 161.8 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | | | trans | -57.8 | 113.1 | 169.4 | -99.4 | -25.4 | 0 | 0 | 0 | 107.9 | V74 | D72-V74 PolarHBondContact O-N 3.27Š|
| 73 | V | 70.3 | Confident | 63.1 | Low | 119 Ų | 119 | 159.6 Ų | 159.6 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | | | trans | -66.5 | 102.8 | 169.2 | 179 | 0 | 0 | 0 | 0 | 106.3 | F71 D75 | F71-V73 PolarHBondContact O-N 3.08Å; V73-D75 PolarHBondContact O-N 3.17Å |
| 74 | V | 71.1 | Confident | 62.9 | Low | 114 Ų | 114 | 155.9 Ų | 155.9 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | | | trans | -74.7 | 113 | 165.7 | 179.3 | 0 | 0 | 0 | 0 | 105.8 | D72 E76 | D72-V74 PolarHBondContact O-N 3.27Å; V74-E76 PolarHBondContact O-N 2.7Å |
| 75 | D | 70.7 | Confident | 62.5 | Low | 142 Ų | 142 | 154.6 Ų | 154.6 | 76% | 0.759 | 81% | 0.812 | S | S | * | * | | | trans | -53.5 | 113.8 | 168.1 | -80.3 | -35.3 | 0 | 0 | 0 | 107.9 | V73 D77 | V73-D75 PolarHBondContact O-N 3.17Å; D75-D77 PolarHBondContact O-N 3.47Å; D75-D77 VanDerWaalsContact O-N 3.13Å |
| 76 | E | 61.8 | Low | 62.3 | Low | 187 Ų | 187 | 149.4 Ų | 149.4 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | | | trans | -67.5 | 110 | 170.9 | -70.1 | -169.5 | 165.6 | 0 | 0 | 107.3 | V74 E78 | V74-E76 PolarHBondContact O-N 2.7Å; E76-E78 PolarHBondContact O-N 3.05Å |
| 77 | D | 70 | Confident | 61.9 | Low | 149 Ų | 149 | 147.2 Ų | 147.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -46.1 | 131.6 | 169.7 | -81.2 | -40.6 | 0 | 0 | 0 | 109.8 | D75 V79 | D75-D77 PolarHBondContact O-N 3.47Å; D75-D77 VanDerWaalsContact O-N 3.13Å; D77-V79 PolarHBondContact O-N 3.2Å |
| 78 | E | 62.6 | Low | 61.6 | Low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | trans | -56.1 | 100.9 | 176.5 | -65.1 | -161 | 171 | 0 | 0 | 110 | E76 E80 | E76-E78 PolarHBondContact O-N 3.05Å; E78-E80 PolarHBondContact O-N 3.46Å; E78-E80 VanDerWaalsContact O-N 3.16Å |
| 79 | V | 67.6 | Low | 61.1 | Low | 137 Ų | 137 | 141.2 Ų | 141.2 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | trans | -76.8 | 98.6 | 166.2 | -79.5 | 0 | 0 | 0 | 0 | 107.6 | D77 E81 | D77-V79 PolarHBondContact O-N 3.2Å; V79-E81 PolarHBondContact O-N 3.36Å |
| 80 | E | 65.2 | Low | 61 | Low | 173 Ų | 173 | 141.5 Ų | 141.5 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | | | trans | -41 | 120 | 170.7 | -75.4 | -83 | -175 | 0 | 0 | 110.7 | E78 D82 | E78-E80 PolarHBondContact O-N 3.46Å; E78-E80 VanDerWaalsContact O-N 3.16Å; E80-D82 PolarHBondContact O-N 3.31Å |
| 81 | E | 59.7 | Low | 60.6 | Low | 187 Ų | 187 | 139.5 Ų | 139.5 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -75.5 | 66.4 | -171.5 | -160.9 | -177.5 | -160.1 | 0 | 0 | 110.7 | V79 S83 | V79-E81 PolarHBondContact O-N 3.36Å; E81-S83 PolarHBondContact O-N 2.96Å |
| 82 | D | 56.4 | Low | 60.4 | Low | 168 Ų | 168 | 139.3 Ų | 139.3 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | | | trans | -94.7 | 64.7 | 174.4 | -115.6 | -3.2 | 0 | 0 | 0 | 110 | E80 | E80-D82 PolarHBondContact O-N 3.31Š|
| 83 | S | 51.5 | Low | 59.7 | Low | 110 Ų | 110 | 143.5 Ų | 143.5 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -130.5 | 84.2 | 163.3 | -175.2 | 0 | 0 | 0 | 0 | 110 | E81 A85 | E81-S83 PolarHBondContact O-N 2.96Å; S83-A85 PolarHBondContact O-N 3.37Å |
| 84 | A | 53.7 | Low | 59.1 | Low | 89 Ų | 89 | 144.8 Ų | 144.8 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | | | trans | -37.2 | 130 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A86 | A84-A86 PolarHBondContact O-N 3.02Š|
| 85 | A | 49.2 | Very low | 58.3 | Low | 103 Ų | 103 | 146.1 Ų | 146.1 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | -41.6 | 103.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S83 | S83-A85 PolarHBondContact O-N 3.37Š|
| 86 | A | 51.2 | Low | 57.2 | Low | 87 Ų | 87 | 142.7 Ų | 142.7 | 72% | 0.719 | 81% | 0.808 | S | S | * | * | | | trans | -117.3 | 83.9 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.1 | A84 A88 | A84-A86 PolarHBondContact O-N 3.02Å; A86-A88 PolarHBondContact O-N 2.86Å |
| 87 | T | 50.2 | Low | 56.4 | Low | 147 Ų | 147 | 137.1 Ų | 137.1 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | | | trans | -60.5 | 90 | 159.6 | 51.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 88 | A | 55 | Low | 55.5 | Low | 78 Ų | 78 | 136.3 Ų | 136.3 | 65% | 0.645 | 80% | 0.801 | S | S | * | * | | | trans | -109.4 | 112.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | A86 V90 | A86-A88 PolarHBondContact O-N 2.86Å; A88-V90 PolarHBondContact O-N 3Å |
| 89 | D | 49.2 | Very low | 55 | Low | 159 Ų | 159 | 137.3 Ų | 137.3 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | -39 | 108.3 | 172 | -79.5 | -41.3 | 0 | 0 | 0 | 112 | I91 | D89-I91 VanDerWaalsContact C-N 3.34Å; D89-I91 PolarHBondContact O-N 2.91Å; D89-I91 VanDerWaalsContact O-N 3.16Å |
| 90 | V | 57.2 | Low | 54.3 | Low | 140 Ų | 140 | 132.2 Ų | 132.2 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | | | trans | -82.8 | 94.2 | 160.3 | 179.9 | 0 | 0 | 0 | 0 | 106.5 | A88 M92 | A88-V90 PolarHBondContact O-N 3Å; V90-M92 PolarHBondContact O-N 3.32Å |
| 91 | I | 62.3 | Low | 53.5 | Low | 139 Ų | 139 | 129.4 Ų | 129.4 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | trans | -44.3 | 109.3 | 173.2 | -63.6 | 162.9 | 0 | 0 | 0 | 108.9 | D89 R93 | D89-I91 VanDerWaalsContact C-N 3.34Å; D89-I91 PolarHBondContact O-N 2.91Å; D89-I91 VanDerWaalsContact O-N 3.16Å; I91-R93 VanDerWaalsContact C-N 3.31Å; I91-R93 PolarHBondContact O-N 2.72Å |
| 92 | M | 59.9 | Low | 53.3 | Low | 177 Ų | 177 | 128 Ų | 128 | 87% | 0.872 | 76% | 0.762 | S | S | * | * | | | trans | -60.5 | 99.3 | 162.3 | -70.6 | -170.8 | -76.3 | 0 | 0 | 107.1 | V90 N94 | V90-M92 PolarHBondContact O-N 3.32Å; M92-N94 PolarHBondContact O-N 3.36Å |
| 93 | R | 59.2 | Low | 53.2 | Low | 223 Ų | 223 | 127.2 Ų | 127.2 | 84% | 0.842 | 76% | 0.758 | S | S | * | * | | | trans | -67 | 80.6 | 158.4 | -84.9 | -175.7 | 174.4 | 169.1 | -0.9 | 106.7 | I91 N95 | I91-R93 VanDerWaalsContact C-N 3.31Å; I91-R93 PolarHBondContact O-N 2.72Å; R93-N95 PolarHBondContact O-N 3.39Å |
| 94 | N | 57.5 | Low | 53.3 | Low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | trans | -65.5 | 97.2 | 158.3 | -156.3 | 2.6 | 0 | 0 | 0 | 104.8 | M92 G96 | M92-N94 PolarHBondContact O-N 3.36Å; N94-G96 PolarHBondContact O-N 3.41Å |
| 95 | N | 54.3 | Low | 53.2 | Low | 142 Ų | 142 | 129.9 Ų | 129.9 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | | | trans | -65.3 | 89.3 | 165.8 | -78.5 | -10.6 | 0 | 0 | 0 | 105.4 | R93 | R93-N95 PolarHBondContact O-N 3.39Š|
| 96 | G | 47.6 | Very low | 53.5 | Low | 70 Ų | 70 | 129.5 Ų | 129.5 | 72% | 0.722 | 73% | 0.726 | S | S | * | * | | | trans | -56.4 | 139.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | N94 | N94-G96 PolarHBondContact O-N 3.41Š|
| 97 | G | 44.4 | Very low | 53.5 | Low | 70 Ų | 70 | 126.7 Ų | 126.7 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | | | trans | 104.7 | 82.3 | 163.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 98 | V | 51.6 | Low | 53.6 | Low | 132 Ų | 132 | 125.4 Ų | 125.4 | 80% | 0.8 | 69% | 0.688 | S | S | * | * | | | | -158.3 | 101.4 | 105.9 | 162.6 | 0 | 0 | 0 | 0 | 105.5 | G100 | V98-G100 VanDerWaalsContact CG1-CA 3.49Å; V98-G100 VanDerWaalsContact CG1-N 3.33Å; V98-G100 PolarHBondContact O-N 3.39Å |
| 99 | E | 52.6 | Low | 53.4 | Low | 206 Ų | 206 | 128.1 Ų | 128.1 | 96% | 0.963 | 69% | 0.691 | S | S | * | * | | | trans | -68.5 | 89.9 | 150.3 | -80.9 | 179 | 162.6 | 0 | 0 | 104.6 | | |
| 100 | G | 52 | Low | 53.6 | Low | 30 Ų | 30 | 125.8 Ų | 125.8 | 31% | 0.309 | 68% | 0.678 | S | S | . | * | | | trans | -134.9 | 95.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | V98 F102 | V98-G100 VanDerWaalsContact CG1-CA 3.49Å; V98-G100 VanDerWaalsContact CG1-N 3.33Å; V98-G100 PolarHBondContact O-N 3.39Å; G100-F102 PolarHBondContact O-N 3.49Å |
| 101 | D | 49.1 | Very low | 53.2 | Low | 114 Ų | 114 | 124.6 Ų | 124.6 | 61% | 0.61 | 67% | 0.667 | S | S | * | * | | | trans | 8.4 | 79.9 | 153.2 | -46.5 | -24 | 0 | 0 | 0 | 113.8 | D103 E104 E105 | D101-D103 PolarHBondContact O-N 3.42Å; D101-E104 HydrophobicContact CB-CB 4.06Å; D101-E104 PolarHBondContact O-N 3.22Å; D101-E105 PolarHBondContact O-N 2.91Å |
| 102 | F | 54.8 | Low | 52.8 | Low | 158 Ų | 158 | 124.9 Ų | 124.9 | 69% | 0.693 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -57.8 | -17.9 | 175.2 | -114.8 | -91 | 0 | 0 | 0 | 112 | G100 I106 | G100-F102 PolarHBondContact O-N 3.49Å; F102-I106 WeakPolarHBondContact O-CG1 3.48Å |
| 103 | D | 55.6 | Low | 52.4 | Low | 151 Ų | 151 | 126.2 Ų | 126.2 | 81% | 0.807 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -76.9 | -25.8 | 173.6 | -76.2 | -15.4 | 0 | 0 | 0 | 113 | D101 | D101-D103 PolarHBondContact O-N 3.42Å |
| 104 | E | 53.5 | Low | 51.6 | Low | 123 Ų | 123 | 120.1 Ų | 120.1 | 58% | 0.575 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -88.8 | -28.1 | 179 | -165 | 157.3 | -172.7 | 0 | 0 | 112.3 | D101 G107 Q108 | D101-E104 HydrophobicContact CB-CB 4.06Å; D101-E104 PolarHBondContact O-N 3.22Å; E104-G107 PolarHBondContact O-N 3.04Å; E104-Q108 PolarHBondContact O-N 2.86Å |
| 105 | E | 51.6 | Low | 51.2 | Low | 132 Ų | 132 | 122.8 Ų | 122.8 | 62% | 0.617 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.5 | -28.1 | 176.3 | -158.6 | 172.4 | -168.1 | 0 | 0 | 112.7 | D101 | D101-E105 PolarHBondContact O-N 2.91Å |
| 106 | I | 53.9 | Low | 51 | Low | 95 Ų | 95 | 124.1 Ų | 124.1 | 49% | 0.487 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -75 | -29.9 | 170 | -63.2 | 176.5 | 0 | 0 | 0 | 111.1 | F102 L109 I110 | F102-I106 WeakPolarHBondContact O-CG1 3.48Å; I106-L109 PolarHBondContact O-N 3.16Å; I106-I110 HydrophobicContact CG2-CD1 3.92Å; I106-I110 WeakPolarHBondContact O-CD1 3.34Å; I106-I110 WeakPolarHBondContact O-CG1 3.45Å; I106-I110 PolarHBondContact O-N 3.36Å |
| 107 | G | 51.4 | Low | 51 | Low | 27 Ų | 27 | 126.2 Ų | 126.2 | 28% | 0.278 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -61.5 | -43.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | E104 L109 I110 D111 | E104-G107 PolarHBondContact O-N 3.04Å; G107-L109 VanDerWaalsContact C-N 3.33Å; G107-L109 PolarHBondContact O-N 3.42Å; G107-I110 PolarHBondContact O-N 3.19Å; G107-I110 VanDerWaalsContact O-N 3.16Å; G107-D111 PolarHBondContact O-N 2.94Å |
| 108 | Q | 52.4 | Low | 51 | Low | 120 Ų | 120 | 130 Ų | 130 | 56% | 0.561 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -71.6 | -24.4 | -179.3 | -65.5 | 177.2 | 31.6 | 0 | 0 | 113.7 | E104 I110 N112 | E104-Q108 PolarHBondContact O-N 2.86Å; Q108-I110 VanDerWaalsContact C-N 3.33Å; Q108-N112 PolarHBondContact O-N 3Å |
| 109 | L | 51.3 | Low | 50.7 | Low | 135 Ų | 135 | 137.5 Ų | 137.5 | 71% | 0.707 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -74.4 | -26.3 | 173.4 | -149.2 | 90.2 | 0 | 0 | 0 | 112.1 | I106 G107 | I106-L109 PolarHBondContact O-N 3.16Å; G107-L109 VanDerWaalsContact C-N 3.33Å; G107-L109 PolarHBondContact O-N 3.42Å |
| 110 | I | 53.4 | Low | 50.6 | Low | 110 Ų | 110 | 134.1 Ų | 134.1 | 56% | 0.564 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -88.4 | -34 | 179.1 | -60.9 | 166.4 | 0 | 0 | 0 | 110.5 | I106 G107 Q108 N112 Y113 | I106-I110 HydrophobicContact CG2-CD1 3.92Å; I106-I110 WeakPolarHBondContact O-CD1 3.34Å; I106-I110 WeakPolarHBondContact O-CG1 3.45Å; I106-I110 PolarHBondContact O-N 3.36Å; G107-I110 PolarHBondContact O-N 3.19Å; G107-I110 VanDerWaalsContact O-N 3.16Å; Q108-I110 VanDerWaalsContact C-N 3.33Å; I110-N112 VanDerWaalsContact C-N 3.33Å; I110-N112 PolarHBondContact O-N 3.2Å; I110-Y113 PolarHBondContact O-N 3.43Å |
| 111 | D | 49.9 | Very low | 50.5 | Low | 116 Ų | 116 | 139.5 Ų | 139.5 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -70.3 | -24.7 | 178.9 | -74.2 | -21.1 | 0 | 0 | 0 | 113.6 | G107 Y113 | G107-D111 PolarHBondContact O-N 2.94Å; D111-Y113 PolarHBondContact O-N 3.29Å |
| 112 | N | 52.1 | Low | 50.6 | Low | 145 Ų | 145 | 140.9 Ų | 140.9 | 78% | 0.775 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -2.6 | 173.7 | -85.9 | -18.7 | 0 | 0 | 0 | 114.3 | Q108 I110 | Q108-N112 PolarHBondContact O-N 3Å; I110-N112 VanDerWaalsContact C-N 3.33Å; I110-N112 PolarHBondContact O-N 3.2Å |
| 113 | Y | 52.6 | Low | 50.4 | Low | 205 Ų | 205 | 139.9 Ų | 139.9 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 8.3 | 176.4 | -81.3 | -80.1 | 0 | 0 | 0 | 114.3 | I110 D111 | I110-Y113 PolarHBondContact O-N 3.43Å; D111-Y113 PolarHBondContact O-N 3.29Å |
| 114 | C | 42.5 | Very low | 50 | Low | 94 Ų | 94 | 139.3 Ų | 139.3 | 64% | 0.635 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -126.1 | 97.2 | 175.1 | -100.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 115 | Y | 49.4 | Very low | 49.8 | Very low | 203 Ų | 203 | 140.3 Ų | 140.3 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | | | trans | 152.2 | 72.1 | 151.2 | -90.3 | -74.2 | 0 | 0 | 0 | 110.9 | | |
| 116 | D | 48.9 | Very low | 49.7 | Very low | 171 Ų | 171 | 140.9 Ų | 140.9 | 91% | 0.914 | 71% | 0.713 | S | S | * | * | | | trans | -137.3 | 56.7 | 155.5 | -99.1 | -14.3 | 0 | 0 | 0 | 108.4 | | |
| 117 | S | 49.1 | Very low | 49.4 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | | | trans | -142.2 | 69.1 | 173.5 | -71.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 118 | L | 42.5 | Very low | 49.2 | Very low | 148 Ų | 148 | 154.3 Ų | 154.3 | 78% | 0.775 | 77% | 0.768 | S | S | * | * | | | trans | -161.6 | 77.5 | 166.1 | -101.2 | 164.1 | 0 | 0 | 0 | 108.9 | | |
| 119 | F | 46.3 | Very low | 48.9 | Very low | 290 Ų | 290 | 157.4 Ų | 157.4 | 100% | 1.272 | 79% | 0.787 | S | S | * | * | | | trans | -149 | 0 | 152.6 | -106.7 | -76 | 0 | 0 | 0 | 109.5 | | |