| 1 | M | 46.4 | Very low | 53.4 | Low | 229 Ų | 229 | 186 Ų | 186 | 100% | 1.128 | 87% | 0.868 | S | S | * | * | | | | 0 | 85.7 | 0 | -75.5 | -71.7 | -120.2 | 0 | 0 | 109.6 | | |
| 2 | Q | 55.8 | Low | 52.6 | Low | 189 Ų | 189 | 179.8 Ų | 179.8 | 88% | 0.883 | 86% | 0.861 | S | S | * | * | | | trans | -159.3 | 94.8 | 165.7 | -161.5 | 141.1 | 93.2 | 0 | 0 | 107.9 | P4 | Q2-P4 WeakPolarHBondContact O-CD 3.44Š|
| 3 | Y | 45.6 | Very low | 52.2 | Low | 214 Ų | 214 | 174.8 Ų | 174.8 | 84% | 0.839 | 85% | 0.848 | S | S | * | * | | | trans | -69.4 | 123.6 | 174 | -80.8 | -86.7 | 0 | 0 | 0 | 108.2 | F5 | Y3-F5 PolarHBondContact O-N 2.85Å; Y3-F5 VanDerWaalsContact O-N 3.1Å |
| 4 | P | 58.7 | Low | 51.8 | Low | 116 Ų | 116 | 176.4 Ų | 176.4 | 75% | 0.753 | 85% | 0.854 | S | S | * | * | | | trans | -66.9 | 117.6 | 178.8 | 25.5 | -30.6 | 0 | 0 | 0 | 108.7 | Q2 R6 | Q2-P4 WeakPolarHBondContact O-CD 3.44Å; P4-R6 PolarHBondContact O-N 3.14Å |
| 5 | F | 55.7 | Low | 51.3 | Low | 202 Ų | 202 | 170.4 Ų | 170.4 | 89% | 0.886 | 84% | 0.837 | S | S | * | * | | | trans | -32.3 | 106.9 | 166 | -116.8 | -107.8 | 0 | 0 | 0 | 109.8 | Y3 K7 | Y3-F5 PolarHBondContact O-N 2.85Å; Y3-F5 VanDerWaalsContact O-N 3.1Å; F5-K7 VanDerWaalsContact C-N 3.28Å; F5-K7 PolarHBondContact O-N 3.16Å |
| 6 | R | 57.1 | Low | 51.7 | Low | 238 Ų | 238 | 167.3 Ų | 167.3 | 90% | 0.898 | 84% | 0.835 | S | S | * | * | | | trans | -60.4 | 100.8 | 165.2 | -74.7 | -173.5 | 178.6 | -132.5 | 1 | 105.7 | P4 L8 | P4-R6 PolarHBondContact O-N 3.14Å; R6-L8 VanDerWaalsContact C-N 3.34Å; R6-L8 PolarHBondContact O-N 2.98Å |
| 7 | K | 54.9 | Low | 51.4 | Low | 196 Ų | 196 | 163.5 Ų | 163.5 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | | | trans | -49.1 | 105.2 | 169.3 | -68.2 | 179.6 | -178.3 | -180 | 0 | 105.8 | F5 L9 | F5-K7 VanDerWaalsContact C-N 3.28Å; F5-K7 PolarHBondContact O-N 3.16Å; K7-L9 PolarHBondContact O-N 2.98Å |
| 8 | L | 57.6 | Low | 51.5 | Low | 167 Ų | 167 | 161 Ų | 161 | 87% | 0.874 | 82% | 0.821 | S | S | * | * | | | trans | -55.6 | 91.6 | 161.2 | -76 | 160.3 | 0 | 0 | 0 | 104.6 | R6 R10 | R6-L8 VanDerWaalsContact C-N 3.34Å; R6-L8 PolarHBondContact O-N 2.98Å; L8-R10 PolarHBondContact O-N 3.09Å |
| 9 | L | 51 | Low | 51.9 | Low | 164 Ų | 164 | 156.9 Ų | 156.9 | 86% | 0.859 | 82% | 0.815 | S | S | * | * | | | trans | -62.6 | 85.8 | 163.1 | -176.5 | 65.8 | 0 | 0 | 0 | 103.9 | K7 P11 | K7-L9 PolarHBondContact O-N 2.98Å; L9-P11 WeakPolarHBondContact O-CD 2.99Å |
| 10 | R | 53.8 | Low | 52.2 | Low | 212 Ų | 212 | 157.7 Ų | 157.7 | 80% | 0.8 | 81% | 0.814 | S | S | * | * | | | trans | -50.3 | 123.1 | 175 | -159.9 | -175.9 | -65.4 | 179.4 | -1.3 | 104.6 | L8 S12 | L8-R10 PolarHBondContact O-N 3.09Å; R10-S12 PolarHBondContact O-N 2.88Å |
| 11 | P | 50.9 | Low | 52.1 | Low | 119 Ų | 119 | 153.4 Ų | 153.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | -65.3 | 83.6 | 177.4 | 23.2 | -29.6 | 0 | 0 | 0 | 108 | L9 T13 | L9-P11 WeakPolarHBondContact O-CD 2.99Å; P11-T13 PolarHBondContact O-N 2.94Å |
| 12 | S | 43.7 | Very low | 52.7 | Low | 112 Ų | 112 | 152 Ų | 152 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -74 | 85 | 169.4 | -174.7 | 0 | 0 | 0 | 0 | 104.6 | R10 | R10-S12 PolarHBondContact O-N 2.88Š|
| 13 | T | 47.8 | Very low | 52.8 | Low | 114 Ų | 114 | 148 Ų | 148 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | | | trans | 177.1 | 68.7 | 139 | -53.2 | 0 | 0 | 0 | 0 | 106.9 | P11 S15 | P11-T13 PolarHBondContact O-N 2.94Å; T13-S15 PolarHBondContact O-N 2.91Å |
| 14 | E | 46.5 | Very low | 53.3 | Low | 198 Ų | 198 | 143.8 Ų | 143.8 | 93% | 0.925 | 76% | 0.76 | S | S | * | * | | | trans | -64.2 | 88.6 | 142.4 | -83.9 | -169.7 | 87.4 | 0 | 0 | 105.8 | C16 | E14-C16 PolarHBondContact O-N 2.87Å; E14-C16 VanDerWaalsContact O-N 3.09Å |
| 15 | S | 44.1 | Very low | 53.2 | Low | 86 Ų | 86 | 148.4 Ų | 148.4 | 60% | 0.601 | 76% | 0.763 | S | S | * | * | | | trans | -68.8 | 103.4 | 179.4 | -168.1 | 0 | 0 | 0 | 0 | 108.2 | T13 C17 | T13-S15 PolarHBondContact O-N 2.91Å; S15-C17 PolarHBondContact O-N 2.89Å |
| 16 | C | 57.7 | Low | 53.3 | Low | 120 Ų | 120 | 143.5 Ų | 143.5 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 10.9 | -10 | 161.4 | -149.6 | 0 | 0 | 0 | 0 | 123.6 | E14 | E14-C16 PolarHBondContact O-N 2.87Å; E14-C16 VanDerWaalsContact O-N 3.09Å |
| 17 | C | 46.7 | Very low | 53.2 | Low | 103 Ų | 103 | 138.9 Ų | 138.9 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | | | trans | -108.5 | 11.2 | -163.7 | -62.5 | 0 | 0 | 0 | 0 | 116.2 | S15 | S15-C17 PolarHBondContact O-N 2.89Š|
| 18 | V | 52.6 | Low | 53.2 | Low | 119 Ų | 119 | 135.2 Ų | 135.2 | 72% | 0.721 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -97 | 11.6 | 179.9 | -166.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 19 | A | 60.6 | Low | 53.1 | Low | 84 Ų | 84 | 130.4 Ų | 130.4 | 69% | 0.694 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -88.7 | -33.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 20 | Q | 57.9 | Low | 53.5 | Low | 172 Ų | 172 | 127.3 Ų | 127.3 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -94.2 | -22.9 | -165.4 | -163.3 | 148.9 | 2.9 | 0 | 0 | 115.3 | R22 | Q20-R22 PolarHBondContact O-N 2.93Š|
| 21 | A | 50.3 | Low | 53.4 | Low | 67 Ų | 67 | 124.2 Ų | 124.2 | 55% | 0.554 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -14.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 22 | R | 57.1 | Low | 54 | Low | 199 Ų | 199 | 126 Ų | 126 | 75% | 0.751 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -27.8 | -178.7 | -71.8 | -165.6 | 169.1 | -117 | -1.2 | 114.3 | Q20 | Q20-R22 PolarHBondContact O-N 2.93Š|
| 23 | V | 58.4 | Low | 55 | Low | 106 Ų | 106 | 125.8 Ų | 125.8 | 64% | 0.642 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -31.6 | 179.1 | 166.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 24 | Q | 57.3 | Low | 55.7 | Low | 125 Ų | 125 | 125.7 Ų | 125.7 | 58% | 0.584 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -25.2 | -178 | -171.2 | 171.5 | 14.5 | 0 | 0 | 113.8 | C26 H27 L28 | Q24-C26 VanDerWaalsContact C-N 3.31Å; Q24-C26 PolarHBondContact O-N 3.13Å; Q24-H27 PolarHBondContact O-N 3.16Å; Q24-L28 HydrophobicContact CG-CD1 3.91Å; Q24-L28 PolarHBondContact O-N 3.21Å |
| 25 | W | 55.7 | Low | 56.7 | Low | 213 Ų | 213 | 122 Ų | 122 | 81% | 0.807 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -67.1 | -28.7 | -176.2 | -101.6 | 73.7 | 0 | 0 | 0 | 113.8 | H27 G29 | W25-H27 VanDerWaalsContact C-N 3.33Å; W25-H27 PolarHBondContact O-N 3.21Å; W25-G29 PolarHBondContact O-N 2.72Å |
| 26 | C | 57.1 | Low | 57.7 | Low | 100 Ų | 100 | 124.8 Ų | 124.8 | 68% | 0.676 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -71.5 | -27.4 | 179.2 | -63.1 | 0 | 0 | 0 | 0 | 113 | Q24 | Q24-C26 VanDerWaalsContact C-N 3.31Å; Q24-C26 PolarHBondContact O-N 3.13Å |
| 27 | H | 55.8 | Low | 57.9 | Low | 141 Ų | 141 | 122.2 Ų | 122.2 | 65% | 0.653 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -91.4 | -24 | -176 | -64.7 | -65.7 | 0 | 0 | 0 | 113.7 | Q24 W25 | Q24-H27 PolarHBondContact O-N 3.16Å; W25-H27 VanDerWaalsContact C-N 3.33Å; W25-H27 PolarHBondContact O-N 3.21Å |
| 28 | L | 54 | Low | 59 | Low | 118 Ų | 118 | 123.8 Ų | 123.8 | 62% | 0.618 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -86.6 | -24.4 | 175.7 | -88.4 | 76.9 | 0 | 0 | 0 | 113.2 | Q24 S30 | Q24-L28 HydrophobicContact CG-CD1 3.91Å; Q24-L28 PolarHBondContact O-N 3.21Å; L28-S30 PolarHBondContact O-N 3.05Å |
| 29 | G | 57.3 | Low | 59.7 | Low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | -7.8 | -179 | 0 | 0 | 0 | 0 | 0 | 115.7 | W25 | W25-G29 PolarHBondContact O-N 2.72Š|
| 30 | S | 58.2 | Low | 60 | Low | 98 Ų | 98 | 131.1 Ų | 131.1 | 69% | 0.685 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | -3.6 | -176.6 | -161.4 | 0 | 0 | 0 | 0 | 114.7 | L28 | L28-S30 PolarHBondContact O-N 3.05Š|
| 31 | L | 52 | Low | 60 | Low | 148 Ų | 148 | 130.7 Ų | 130.7 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -92.1 | 11.1 | -172.7 | -68.2 | -173.8 | 0 | 0 | 0 | 115.5 | | |
| 32 | Q | 64.1 | Low | 60.3 | Low | 157 Ų | 157 | 131.8 Ų | 131.8 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | | | trans | -136.8 | 105 | 167.5 | -163.7 | 144.3 | 87.1 | 0 | 0 | 111.3 | | |
| 33 | P | 63.2 | Low | 60.5 | Low | 106 Ų | 106 | 128 Ų | 128 | 69% | 0.688 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 140.9 | 165 | 26.2 | -32.2 | 0 | 0 | 0 | 108.5 | L35 | P33-L35 PolarHBondContact O-N 3.07Š|
| 34 | P | 64.2 | Low | 60.6 | Low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 131 | 179.6 | 19.8 | -29.9 | 0 | 0 | 0 | 109.7 | | |
| 35 | L | 67.3 | Low | 60.5 | Low | 120 Ų | 120 | 129.5 Ų | 129.5 | 63% | 0.628 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 132.5 | -177.6 | -71.7 | 165.4 | 0 | 0 | 0 | 110 | P33 G37 F38 | P33-L35 PolarHBondContact O-N 3.07Å; L35-G37 PolarHBondContact O-N 3.12Å; L35-F38 WeakPolarHBondContact O-CB 3.5Å; L35-F38 PolarHBondContact O-N 3.42Å |
| 36 | P | 64 | Low | 61 | Low | 144 Ų | 144 | 127.1 Ų | 127.1 | 94% | 0.935 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | 16.1 | -168.7 | 21 | -31.7 | 0 | 0 | 0 | 117 | | |
| 37 | G | 63.3 | Low | 61.1 | Low | 67 Ų | 67 | 126.8 Ų | 126.8 | 69% | 0.691 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.4 | 7.9 | 172 | 0 | 0 | 0 | 0 | 0 | 113.7 | L35 K39 | L35-G37 PolarHBondContact O-N 3.12Å; G37-K39 VanDerWaalsContact C-N 3.31Å; G37-K39 PolarHBondContact O-N 3.35Å |
| 38 | F | 68.2 | Low | 61.4 | Low | 135 Ų | 135 | 122.6 Ų | 122.6 | 59% | 0.592 | 71% | 0.706 | S | S | * | * | | | trans | -75.7 | 88.7 | 178.8 | -152 | -103.9 | 0 | 0 | 0 | 108.6 | L35 Q40 F41 | L35-F38 WeakPolarHBondContact O-CB 3.5Å; L35-F38 PolarHBondContact O-N 3.42Å; F38-Q40 PolarHBondContact O-N 3.49Å; F38-F41 HydrophobicContact CD1-CD2 4.44Å; F38-F41 AromaticContact CE1-CD2 3.6Å; F38-F41 HydrophobicContact CE1-CD2 3.6Å; F38-F41 AromaticContact CE1-CE2 3.64Å; F38-F41 HydrophobicContact CE1-CE2 3.64Å; F38-F41 HydrophobicContact CE2-CE2 4.07Å; F38-F41 AromaticContact CZ-CD2 3.85Å; F38-F41 HydrophobicContact CZ-CD2 3.85Å; F38-F41 AromaticContact CZ-CE2 3.4Å; F38-F41 HydrophobicContact CZ-CE2 3.4Å |
| 39 | K | 67.6 | Low | 61.9 | Low | 187 Ų | 187 | 122 Ų | 122 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | | | trans | -49.2 | 106.9 | 167.4 | -72.7 | 177.1 | 171.9 | 179.8 | 0 | 106.8 | G37 F41 | G37-K39 VanDerWaalsContact C-N 3.31Å; G37-K39 PolarHBondContact O-N 3.35Å; K39-F41 PolarHBondContact O-N 3.06Å |
| 40 | Q | 67.5 | Low | 62.5 | Low | 170 Ų | 170 | 126.1 Ų | 126.1 | 79% | 0.794 | 71% | 0.706 | S | S | * | * | | | trans | -46.5 | 110.9 | 177.7 | -179.7 | 178.7 | -6.6 | 0 | 0 | 107.3 | F38 S42 | F38-Q40 PolarHBondContact O-N 3.49Å; Q40-S42 VanDerWaalsContact C-N 3.34Å; Q40-S42 PolarHBondContact O-N 2.79Å |
| 41 | F | 58.2 | Low | 62.8 | Low | 164 Ų | 164 | 124 Ų | 124 | 72% | 0.719 | 69% | 0.687 | S | S | * | * | | | trans | -56.5 | 107 | 172.2 | -75.4 | -80.8 | 0 | 0 | 0 | 105.8 | F38 K39 C43 | F38-F41 HydrophobicContact CD1-CD2 4.44Å; F38-F41 AromaticContact CE1-CD2 3.6Å; F38-F41 HydrophobicContact CE1-CD2 3.6Å; F38-F41 AromaticContact CE1-CE2 3.64Å; F38-F41 HydrophobicContact CE1-CE2 3.64Å; F38-F41 HydrophobicContact CE2-CE2 4.07Å; F38-F41 AromaticContact CZ-CD2 3.85Å; F38-F41 HydrophobicContact CZ-CD2 3.85Å; F38-F41 AromaticContact CZ-CE2 3.4Å; F38-F41 HydrophobicContact CZ-CE2 3.4Å; K39-F41 PolarHBondContact O-N 3.06Å; F41-C43 PolarHBondContact O-N 3.37Å |
| 42 | S | 55.9 | Low | 63.2 | Low | 90 Ų | 90 | 125 Ų | 125 | 63% | 0.629 | 68% | 0.681 | S | S | * | * | | | trans | -60.8 | 107.7 | 177.6 | 47.1 | 0 | 0 | 0 | 0 | 106.6 | Q40 H44 | Q40-S42 VanDerWaalsContact C-N 3.34Å; Q40-S42 PolarHBondContact O-N 2.79Å; S42-H44 PolarHBondContact O-N 3.21Å |
| 43 | C | 60.8 | Low | 63.2 | Low | 118 Ų | 118 | 126.8 Ų | 126.8 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | | | trans | -65.8 | 15.1 | 174.4 | 46.2 | 0 | 0 | 0 | 0 | 113.2 | F41 S45 | F41-C43 PolarHBondContact O-N 3.37Å; C43-S45 PolarHBondContact O-N 2.79Å; C43-S45 VanDerWaalsContact O-N 3.09Å |
| 44 | H | 60.2 | Low | 63.2 | Low | 158 Ų | 158 | 129.5 Ų | 129.5 | 73% | 0.731 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -74.4 | 100.5 | 172.6 | -76.4 | -77.7 | 0 | 0 | 0 | 108.9 | S42 | S42-H44 PolarHBondContact O-N 3.21Š|
| 45 | S | 56.9 | Low | 63 | Low | 105 Ų | 105 | 128.9 Ų | 128.9 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | S | Bend | trans | 90.6 | 31.3 | 156.8 | -43 | 0 | 0 | 0 | 0 | 118 | C43 P47 | C43-S45 PolarHBondContact O-N 2.79Å; C43-S45 VanDerWaalsContact O-N 3.09Å; S45-P47 WeakPolarHBondContact O-CD 2.99Å |
| 46 | L | 64.9 | Low | 62.7 | Low | 163 Ų | 163 | 129.9 Ų | 129.9 | 85% | 0.853 | 67% | 0.674 | S | S | * | * | | | trans | -82.2 | 100 | 148.6 | -99.9 | 75.7 | 0 | 0 | 0 | 107.2 | S48 | L46-S48 PolarHBondContact O-N 3.47Š|
| 47 | P | 59.1 | Low | 62.6 | Low | 93 Ų | 93 | 128.2 Ų | 128.2 | 60% | 0.604 | 66% | 0.661 | S | S | * | * | | | trans | -56 | 116.5 | 166.7 | 24.2 | -31.8 | 0 | 0 | 0 | 106.3 | S45 | S45-P47 WeakPolarHBondContact O-CD 2.99Š|
| 48 | S | 62.1 | Low | 62.4 | Low | 54 Ų | 54 | 129 Ų | 129 | 38% | 0.378 | 65% | 0.649 | S | S | . | * | | | trans | -65.8 | 140.4 | -174.7 | 40.9 | 0 | 0 | 0 | 0 | 108.8 | L46 W50 D51 | L46-S48 PolarHBondContact O-N 3.47Å; S48-W50 VanDerWaalsContact CB-CD1 3.44Å; S48-W50 PolarHBondContact O-N 3.28Å; S48-W50 PolarHBondContact OG-NE1 2.61Å; S48-D51 WeakPolarHBondContact CA-OD2 3.49Å; S48-D51 PolarHBondContact N-OD2 2.86Å; S48-D51 WeakPolarHBondContact O-CB 3.38Å; S48-D51 PolarHBondContact O-N 2.94Å; S48-D51 PolarHBondContact OG-OD2 2.85Å |
| 49 | S | 65.4 | Low | 61.8 | Low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -52.2 | -21.6 | -175.2 | 176.9 | 0 | 0 | 0 | 0 | 114 | D51 | S49-D51 VanDerWaalsContact C-N 3.35Å |
| 50 | W | 70.5 | Confident | 61.2 | Low | 155 Ų | 155 | 120.4 Ų | 120.4 | 59% | 0.587 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -68.7 | -28.5 | 175.4 | 86.6 | -81.2 | 0 | 0 | 0 | 113.7 | S48 Y52 R53 W54 | S48-W50 VanDerWaalsContact CB-CD1 3.44Å; S48-W50 PolarHBondContact O-N 3.28Å; S48-W50 PolarHBondContact OG-NE1 2.61Å; W50-Y52 PolarHBondContact O-N 3.26Å; W50-R53 PolarHBondContact O-N 3.26Å; W50-W54 PolarHBondContact O-N 3.46Å |
| 51 | D | 64.3 | Low | 60.8 | Low | 52 Ų | 52 | 122.2 Ų | 122.2 | 28% | 0.278 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -62.6 | -32.5 | -178.2 | -64.2 | -66.6 | 0 | 0 | 0 | 111.4 | S48 S49 N55 | S48-D51 WeakPolarHBondContact CA-OD2 3.49Å; S48-D51 PolarHBondContact N-OD2 2.86Å; S48-D51 WeakPolarHBondContact O-CB 3.38Å; S48-D51 PolarHBondContact O-N 2.94Å; S48-D51 PolarHBondContact OG-OD2 2.85Å; S49-D51 VanDerWaalsContact C-N 3.35Å; D51-N55 PolarHBondContact O-N 3.2Å; D51-N55 PolarHBondContact O-ND2 3.32Å |
| 52 | Y | 60.4 | Low | 60.6 | Low | 169 Ų | 169 | 120.7 Ų | 120.7 | 66% | 0.663 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -71.1 | -30 | 175.5 | -85.2 | -84 | 0 | 0 | 0 | 113.3 | W50 L56 | W50-Y52 PolarHBondContact O-N 3.26Å; Y52-L56 PolarHBondContact O-N 3.35Å |
| 53 | R | 63.9 | Low | 60.5 | Low | 196 Ų | 196 | 123.1 Ų | 123.1 | 74% | 0.74 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -73.1 | -32.6 | -180 | -66.9 | -178.9 | 66 | -154.7 | -0.4 | 112.3 | W50 T57 | W50-R53 PolarHBondContact O-N 3.26Å; R53-T57 PolarHBondContact O-OG1 3.42Å; R53-T57 VanDerWaalsContact O-OG1 3.11Å |
| 54 | W | 62.6 | Low | 60.2 | Low | 162 Ų | 162 | 121.4 Ų | 121.4 | 61% | 0.614 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -70.2 | -42.3 | 177.7 | -172.2 | -98.7 | 0 | 0 | 0 | 111.7 | W50 L56 T57 L58 | W50-W54 PolarHBondContact O-N 3.46Å; W54-L56 PolarHBondContact O-N 3.11Å; W54-T57 PolarHBondContact O-N 3.39Å; W54-L58 HydrophobicContact CD2-CD1 4.43Å; W54-L58 HydrophobicContact CZ2-CD1 4.01Å; W54-L58 PolarHBondContact O-N 3.04Å |
| 55 | N | 60.1 | Low | 59.8 | Low | 100 Ų | 100 | 118.4 Ų | 118.4 | 54% | 0.535 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -62 | -45.2 | 179 | -77.3 | -69 | 0 | 0 | 0 | 112.3 | D51 T57 L58 S59 | D51-N55 PolarHBondContact O-N 3.2Å; D51-N55 PolarHBondContact O-ND2 3.32Å; N55-T57 PolarHBondContact O-N 3.46Å; N55-L58 PolarHBondContact O-N 3.5Å; N55-S59 PolarHBondContact O-N 3.44Å; N55-S59 VanDerWaalsContact O-N 3.12Å; N55-S59 PolarHBondContact O-OG 3.47Å; N55-S59 VanDerWaalsContact O-OG 3.06Å |
| 56 | L | 61.1 | Low | 59.7 | Low | 142 Ų | 142 | 116.6 Ų | 116.6 | 74% | 0.743 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -63.6 | -28.9 | -178.4 | -132.1 | 78.8 | 0 | 0 | 0 | 113.8 | Y52 W54 P60 | Y52-L56 PolarHBondContact O-N 3.35Å; W54-L56 PolarHBondContact O-N 3.11Å; L56-P60 WeakPolarHBondContact O-CD 3.37Å |
| 57 | T | 60.7 | Low | 59 | Low | 108 Ų | 108 | 113.1 Ų | 113.1 | 66% | 0.663 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -82 | -24.6 | -177.5 | -52.6 | 0 | 0 | 0 | 0 | 112.4 | R53 W54 N55 | R53-T57 PolarHBondContact O-OG1 3.42Å; R53-T57 VanDerWaalsContact O-OG1 3.11Å; W54-T57 PolarHBondContact O-N 3.39Å; N55-T57 PolarHBondContact O-N 3.46Å |
| 58 | L | 59.4 | Low | 58.7 | Low | 84 Ų | 84 | 112.7 Ų | 112.7 | 44% | 0.44 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -95.8 | -23 | 179.8 | -68.7 | 176.3 | 0 | 0 | 0 | 114 | W54 N55 R61 L62 | W54-L58 HydrophobicContact CD2-CD1 4.43Å; W54-L58 HydrophobicContact CZ2-CD1 4.01Å; W54-L58 PolarHBondContact O-N 3.04Å; N55-L58 PolarHBondContact O-N 3.5Å; L58-R61 PolarHBondContact O-N 3.2Å; L58-L62 PolarHBondContact O-N 2.95Å |
| 59 | S | 56 | Low | 58.3 | Low | 54 Ų | 54 | 115.2 Ų | 115.2 | 38% | 0.378 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -54.6 | -42.9 | 177.5 | -64.5 | 0 | 0 | 0 | 0 | 115.1 | N55 R61 L62 E63 | N55-S59 PolarHBondContact O-N 3.44Å; N55-S59 VanDerWaalsContact O-N 3.12Å; N55-S59 PolarHBondContact O-OG 3.47Å; N55-S59 VanDerWaalsContact O-OG 3.06Å; S59-R61 PolarHBondContact O-N 3.09Å; S59-L62 PolarHBondContact O-N 2.88Å; S59-E63 PolarHBondContact O-N 2.85Å; S59-E63 VanDerWaalsContact O-N 3.16Å |
| 60 | P | 54.3 | Low | 57.8 | Low | 88 Ų | 88 | 113.7 Ų | 113.7 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -69.6 | -9.3 | 179.8 | 26.1 | -32.9 | 0 | 0 | 0 | 113.7 | L56 | L56-P60 WeakPolarHBondContact O-CD 3.37Å |
| 61 | R | 60.5 | Low | 57.1 | Low | 208 Ų | 208 | 113.6 Ų | 113.6 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -100 | -24 | 174.9 | -170.2 | 166.3 | 173.5 | -162.1 | -3.5 | 113.5 | L58 S59 | L58-R61 PolarHBondContact O-N 3.2Å; S59-R61 PolarHBondContact O-N 3.09Å |
| 62 | L | 53.2 | Low | 56.5 | Low | 131 Ų | 131 | 115 Ų | 115 | 69% | 0.686 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -88.9 | -28.6 | 179.1 | -147.4 | 87.3 | 0 | 0 | 0 | 113 | L58 S59 C64 S65 | L58-L62 PolarHBondContact O-N 2.95Å; S59-L62 PolarHBondContact O-N 2.88Å; L62-C64 PolarHBondContact O-N 2.99Å; L62-C64 VanDerWaalsContact O-N 3.16Å; L62-S65 PolarHBondContact O-N 2.65Å; L62-S65 VanDerWaalsContact O-N 3.13Å; L62-S65 PolarHBondContact O-OG 2.96Å; L62-S65 VanDerWaalsContact O-OG 3.14Å |
| 63 | E | 53.9 | Low | 56.1 | Low | 142 Ų | 142 | 114 Ų | 114 | 66% | 0.664 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -18.2 | 170.3 | -75.8 | 173.8 | 80.1 | 0 | 0 | 111.9 | S59 I68 | S59-E63 PolarHBondContact O-N 2.85Å; S59-E63 VanDerWaalsContact O-N 3.16Å; E63-I68 WeakPolarHBondContact O-CG1 3.37Å |
| 64 | C | 54.7 | Low | 55.8 | Low | 81 Ų | 81 | 110.7 Ų | 110.7 | 55% | 0.547 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -9.3 | 174.8 | -68.3 | 0 | 0 | 0 | 0 | 115.7 | L62 I68 | L62-C64 PolarHBondContact O-N 2.99Å; L62-C64 VanDerWaalsContact O-N 3.16Å; C64-I68 HydrophobicContact CB-CD1 3.95Å; C64-I68 VanDerWaalsContact SG-CD1 3.53Å |
| 65 | S | 52.2 | Low | 55.5 | Low | 95 Ų | 95 | 108.1 Ų | 108.1 | 66% | 0.664 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.5 | -4.3 | -173 | 59.8 | 0 | 0 | 0 | 0 | 116 | L62 | L62-S65 PolarHBondContact O-N 2.65Å; L62-S65 VanDerWaalsContact O-N 3.13Å; L62-S65 PolarHBondContact O-OG 2.96Å; L62-S65 VanDerWaalsContact O-OG 3.14Å |
| 66 | G | 53.4 | Low | 55.2 | Low | 67 Ų | 67 | 110.1 Ų | 110.1 | 69% | 0.691 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -39.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 67 | A | 50.6 | Low | 54.8 | Low | 90 Ų | 90 | 107.7 Ų | 107.7 | 74% | 0.744 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -132.5 | 2.5 | -163 | 0 | 0 | 0 | 0 | 0 | 115 | S69 | A67-S69 PolarHBondContact O-N 3.09Š|
| 68 | I | 52.8 | Low | 54.5 | Low | 85 Ų | 85 | 109.6 Ų | 109.6 | 44% | 0.436 | 64% | 0.643 | S | S | . | * | | | trans | -81.3 | 48.8 | 166.4 | -40.8 | -171.8 | 0 | 0 | 0 | 109.1 | E63 C64 C72 | E63-I68 WeakPolarHBondContact O-CG1 3.37Å; C64-I68 HydrophobicContact CB-CD1 3.95Å; C64-I68 VanDerWaalsContact SG-CD1 3.53Å; I68-C72 HydrophobicContact CG2-CB 3.77Å |
| 69 | S | 55.2 | Low | 54.2 | Low | 106 Ų | 106 | 113.1 Ų | 113.1 | 74% | 0.741 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -108.8 | -1.4 | -171.6 | -168.9 | 0 | 0 | 0 | 0 | 114.7 | A67 | A67-S69 PolarHBondContact O-N 3.09Š|
| 70 | A | 53.8 | Low | 54.1 | Low | 73 Ų | 73 | 114.9 Ų | 114.9 | 60% | 0.603 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -157.3 | -16.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 71 | H | 55 | Low | 54.2 | Low | 152 Ų | 152 | 116.4 Ų | 116.4 | 70% | 0.704 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -113.8 | -15.3 | -167.5 | -80.1 | -74.1 | 0 | 0 | 0 | 116.5 | | |
| 72 | C | 52.3 | Low | 53.9 | Low | 81 Ų | 81 | 112.1 Ų | 112.1 | 55% | 0.547 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -87.5 | -9.4 | -176.7 | -59.9 | 0 | 0 | 0 | 0 | 114.4 | I68 L74 | I68-C72 HydrophobicContact CG2-CB 3.77Å; C72-L74 VanDerWaalsContact C-N 3.3Å |
| 73 | N | 52 | Low | 54.1 | Low | 149 Ų | 149 | 111.3 Ų | 111.3 | 80% | 0.797 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -81.2 | -5.5 | 174.5 | -80 | -59 | 0 | 0 | 0 | 113.8 | | |
| 74 | L | 58 | Low | 53.9 | Low | 127 Ų | 127 | 108.5 Ų | 108.5 | 67% | 0.665 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -94.9 | -9.6 | 178.7 | -78.3 | 164.3 | 0 | 0 | 0 | 114.1 | C72 P77 | C72-L74 VanDerWaalsContact C-N 3.3Å; L74-P77 WeakPolarHBondContact O-CD 3.47Å; L74-P77 WeakPolarHBondContact O-CG 2.87Å |
| 75 | C | 55.8 | Low | 53.8 | Low | 107 Ų | 107 | 110.7 Ų | 110.7 | 72% | 0.723 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -104.4 | 11.1 | -175.6 | -62 | 0 | 0 | 0 | 0 | 114.5 | | |
| 76 | L | 53.8 | Low | 53.8 | Low | 142 Ų | 142 | 111.4 Ų | 111.4 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | | | trans | -98.8 | 12.5 | 167.5 | -68.6 | -179.6 | 0 | 0 | 0 | 117.1 | D78 | L76-D78 VanDerWaalsContact C-N 3.31Å; L76-D78 PolarHBondContact O-N 3.49Å |
| 77 | P | 54.2 | Low | 54.2 | Low | 91 Ų | 91 | 113 Ų | 113 | 59% | 0.591 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -2 | 175.6 | 31.7 | -31.5 | 0 | 0 | 0 | 114.7 | L74 | L74-P77 WeakPolarHBondContact O-CD 3.47Å; L74-P77 WeakPolarHBondContact O-CG 2.87Å |
| 78 | D | 54.4 | Low | 55 | Low | 148 Ų | 148 | 119.5 Ų | 119.5 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 13.4 | -172.6 | -139.6 | 62.1 | 0 | 0 | 0 | 115.2 | L76 | L76-D78 VanDerWaalsContact C-N 3.31Å; L76-D78 PolarHBondContact O-N 3.49Å |
| 79 | L | 52.6 | Low | 55.3 | Low | 159 Ų | 159 | 121.2 Ų | 121.2 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -108.6 | 31.8 | 171.9 | -152.4 | 92 | 0 | 0 | 0 | 112.9 | | |
| 80 | S | 54.1 | Low | 55.8 | Low | 90 Ų | 90 | 120.4 Ų | 120.4 | 63% | 0.629 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -109.1 | -10.7 | 169.5 | 56.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 81 | D | 54.8 | Low | 56 | Low | 121 Ų | 121 | 120.1 Ų | 120.1 | 65% | 0.647 | 72% | 0.724 | S | S | * | * | | | trans | -128 | 68.8 | -170.8 | -62.4 | -75.5 | 0 | 0 | 0 | 111 | P83 | D81-P83 WeakPolarHBondContact O-CD 3.49Š|
| 82 | S | 54.6 | Low | 56 | Low | 118 Ų | 118 | 119.3 Ų | 119.3 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | | | trans | -92.9 | 78.2 | 158.5 | -77.5 | 0 | 0 | 0 | 0 | 110.7 | A84 | S82-A84 PolarHBondContact O-N 3.07Š|
| 83 | P | 58.9 | Low | 56.5 | Low | 114 Ų | 114 | 122.2 Ų | 122.2 | 74% | 0.74 | 75% | 0.745 | S | S | * | * | | | trans | -85.9 | 105.2 | 166.7 | 34.9 | -29.8 | 0 | 0 | 0 | 107.8 | D81 | D81-P83 WeakPolarHBondContact O-CD 3.49Š|
| 84 | A | 48.8 | Very low | 56.2 | Low | 82 Ų | 82 | 118.7 Ų | 118.7 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | 169.3 | 59.5 | 145.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | S82 T86 | S82-A84 PolarHBondContact O-N 3.07Å; A84-T86 PolarHBondContact O-N 2.94Å |
| 85 | S | 52.8 | Low | 55.7 | Low | 127 Ų | 127 | 117.4 Ų | 117.4 | 89% | 0.888 | 75% | 0.752 | S | S | * | * | | | trans | -83.2 | 66.8 | 152 | -72.7 | 0 | 0 | 0 | 0 | 108.7 | S87 | S85-S87 PolarHBondContact O-N 3.23Å; S85-S87 VanDerWaalsContact O-N 3.09Å |
| 86 | T | 51.4 | Low | 55.8 | Low | 111 Ų | 111 | 120.7 Ų | 120.7 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | | | trans | -82.5 | 79.5 | 165.7 | 59 | 0 | 0 | 0 | 0 | 108.1 | A84 R88 | A84-T86 PolarHBondContact O-N 2.94Å; T86-R88 VanDerWaalsContact C-N 3.29Å; T86-R88 PolarHBondContact O-N 3.32Å |
| 87 | S | 63 | Low | 55.6 | Low | 101 Ų | 101 | 122.1 Ų | 122.1 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | | | trans | -69.5 | 89.9 | 166.2 | -177.2 | 0 | 0 | 0 | 0 | 107.9 | S85 V89 | S85-S87 PolarHBondContact O-N 3.23Å; S85-S87 VanDerWaalsContact O-N 3.09Å; S87-V89 PolarHBondContact O-N 2.66Å |
| 88 | R | 66 | Low | 55.7 | Low | 226 Ų | 226 | 126.6 Ų | 126.6 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | -71.6 | 89.1 | 164.7 | -69.3 | -175.6 | -162.1 | 158.8 | 5.9 | 106.6 | T86 A90 | T86-R88 VanDerWaalsContact C-N 3.29Å; T86-R88 PolarHBondContact O-N 3.32Å; R88-A90 PolarHBondContact O-N 3Å |
| 89 | V | 60.7 | Low | 55.4 | Low | 120 Ų | 120 | 123.7 Ų | 123.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -59.2 | 97.3 | 159.7 | 152.9 | 0 | 0 | 0 | 0 | 106.3 | S87 | S87-V89 PolarHBondContact O-N 2.66Š|
| 90 | A | 64.2 | Low | 55.4 | Low | 89 Ų | 89 | 125.3 Ų | 125.3 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -65.2 | 128.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | R88 T92 | R88-A90 PolarHBondContact O-N 3Å; A90-T92 PolarHBondContact O-N 3.1Å |
| 91 | G | 58.2 | Low | 55.5 | Low | 68 Ų | 68 | 129.1 Ų | 129.1 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -46.5 | 123 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | T93 | G91-T93 VanDerWaalsContact C-N 3.34Å; G91-T93 PolarHBondContact O-N 2.83Å |
| 92 | T | 55.8 | Low | 55.7 | Low | 135 Ų | 135 | 128 Ų | 128 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | | | trans | -69.5 | 98.9 | 160.3 | 52.3 | 0 | 0 | 0 | 0 | 107.3 | A90 G94 | A90-T92 PolarHBondContact O-N 3.1Å; T92-G94 PolarHBondContact O-N 2.73Å |
| 93 | T | 62.3 | Low | 56.1 | Low | 141 Ų | 141 | 128.6 Ų | 128.6 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | | | trans | -43.9 | 115.3 | 171.8 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | G91 | G91-T93 VanDerWaalsContact C-N 3.34Å; G91-T93 PolarHBondContact O-N 2.83Å |
| 94 | G | 45.8 | Very low | 56.2 | Low | 76 Ų | 76 | 128.5 Ų | 128.5 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | | | trans | 47.8 | 81.8 | 142.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | T92 | T92-G94 PolarHBondContact O-N 2.73Š|
| 95 | A | 47.4 | Very low | 56.8 | Low | 99 Ų | 99 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -117 | 107.1 | 153.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 96 | H | 58.8 | Low | 56.8 | Low | 177 Ų | 177 | 136.7 Ų | 136.7 | 82% | 0.819 | 78% | 0.778 | S | S | * | * | | | trans | 64.1 | 107 | 147.6 | -150.7 | -97.3 | 0 | 0 | 0 | 117.7 | | |
| 97 | H | 49.2 | Very low | 56.6 | Low | 171 Ų | 171 | 141.2 Ų | 141.2 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | | | trans | -41.8 | 138.8 | 165.3 | -54.6 | -70.2 | 0 | 0 | 0 | 112.9 | | |
| 98 | H | 55 | Low | 56.4 | Low | 185 Ų | 185 | 148.6 Ų | 148.6 | 86% | 0.856 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 116.8 | 103.9 | 152.2 | -147.9 | -9.2 | 0 | 0 | 0 | 113.7 | | |
| 99 | A | 48.4 | Very low | 55.9 | Low | 87 Ų | 87 | 144.7 Ų | 144.7 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | | | trans | 67.9 | 74.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 100 | Q | 53.8 | Low | 55.7 | Low | 194 Ų | 194 | 146 Ų | 146 | 91% | 0.907 | 82% | 0.817 | S | S | * | * | | | trans | -128.6 | 92.8 | 145.2 | -156.5 | 174.3 | -58.1 | 0 | 0 | 109 | | |
| 101 | E | 56 | Low | 55.2 | Low | 170 Ų | 170 | 149.2 Ų | 149.2 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | | | trans | -58.7 | 134.5 | 170.2 | -76.9 | -75.7 | 94.6 | 0 | 0 | 109.4 | V103 | E101-V103 PolarHBondContact O-N 2.74Š|
| 102 | P | 59.2 | Low | 55 | Low | 97 Ų | 97 | 153.9 Ų | 153.9 | 63% | 0.63 | 83% | 0.828 | S | S | * | * | | | trans | -67.3 | 125.4 | -176.9 | 25.7 | -32.2 | 0 | 0 | 0 | 110.7 | V104 | P102-V104 VanDerWaalsContact C-N 3.34Å; P102-V104 PolarHBondContact O-N 2.88Å |
| 103 | V | 61.6 | Low | 55 | Low | 130 Ų | 130 | 155.1 Ų | 155.1 | 79% | 0.788 | 83% | 0.828 | S | S | * | * | | | trans | -62.3 | 96.4 | 167 | 154.4 | 0 | 0 | 0 | 0 | 108.4 | E101 I105 | E101-V103 PolarHBondContact O-N 2.74Å; V103-I105 HydrophobicContact CG1-CD1 4.35Å; V103-I105 HydrophobicContact CG1-CG1 3.71Å; V103-I105 PolarHBondContact O-N 3.35Å |
| 104 | V | 61.6 | Low | 54.5 | Low | 113 Ų | 113 | 156.1 Ų | 156.1 | 69% | 0.685 | 83% | 0.826 | S | S | * | * | | | trans | -79.2 | 96.4 | 171.3 | -73.8 | 0 | 0 | 0 | 0 | 108.7 | P102 R106 | P102-V104 VanDerWaalsContact C-N 3.34Å; P102-V104 PolarHBondContact O-N 2.88Å; V104-R106 PolarHBondContact O-N 3.02Å |
| 105 | I | 62.3 | Low | 55.1 | Low | 151 Ų | 151 | 161.8 Ų | 161.8 | 77% | 0.774 | 83% | 0.829 | S | S | * | * | | | trans | -70.8 | 102.4 | 174.5 | -57.8 | 173.1 | 0 | 0 | 0 | 107.6 | V103 K107 | V103-I105 HydrophobicContact CG1-CD1 4.35Å; V103-I105 HydrophobicContact CG1-CG1 3.71Å; V103-I105 PolarHBondContact O-N 3.35Å; I105-K107 PolarHBondContact O-N 3.19Å |
| 106 | R | 52.9 | Low | 55.7 | Low | 230 Ų | 230 | 166.6 Ų | 166.6 | 87% | 0.868 | 83% | 0.83 | S | S | * | * | | | trans | -78.5 | 117.8 | 171 | -67.9 | -168.7 | -175 | -152.1 | 2.3 | 109.1 | V104 | V104-R106 PolarHBondContact O-N 3.02Š|
| 107 | K | 46.2 | Very low | 55.4 | Low | 206 Ų | 206 | 165.8 Ų | 165.8 | 90% | 0.896 | 83% | 0.83 | S | S | * | * | | | trans | -77.9 | 116.3 | 173.3 | -162.5 | 174.9 | -176.8 | 178.3 | 0 | 107.8 | I105 | I105-K107 PolarHBondContact O-N 3.19Š|
| 108 | M | 59 | Low | 56 | Low | 255 Ų | 255 | 165.3 Ų | 165.3 | 100% | 1.256 | 83% | 0.834 | S | S | * | * | | | trans | -99.1 | 0 | 161.5 | -162.4 | 110.7 | 117.3 | 0 | 0 | 107.9 | | |