| 1 | M | 45.8 | Very low | 55.3 | Low | 245 Ų | 245 | 148.9 Ų | 148.9 | 100% | 1.207 | 81% | 0.814 | S | S | * | * | | | | 0 | 94.7 | 0 | -60 | -167.6 | -171.5 | 0 | 0 | 107.2 | | |
| 2 | S | 47.9 | Very low | 55.1 | Low | 129 Ų | 129 | 152.8 Ų | 152.8 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | | | trans | -95.4 | 117.7 | 178.8 | -69.9 | 0 | 0 | 0 | 0 | 109 | | |
| 3 | K | 52.8 | Low | 55.1 | Low | 207 Ų | 207 | 149.5 Ų | 149.5 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | | | trans | -75.3 | 115.9 | 168.8 | -75.5 | 179.7 | 173.1 | -178.1 | 0 | 107.8 | | |
| 4 | G | 53.5 | Low | 55 | Low | 78 Ų | 78 | 150.1 Ų | 150.1 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -75.1 | 125.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E6 | G4-E6 PolarHBondContact O-N 3.46Š|
| 5 | M | 61.6 | Low | 55 | Low | 170 Ų | 170 | 149.9 Ų | 149.9 | 84% | 0.837 | 78% | 0.778 | S | S | * | * | | | trans | -79.4 | 104 | 171.9 | -67 | -77.9 | -151.6 | 0 | 0 | 108.1 | E7 | M5-E7 PolarHBondContact O-N 3.45Š|
| 6 | E | 60.4 | Low | 54.8 | Low | 199 Ų | 199 | 150.9 Ų | 150.9 | 93% | 0.93 | 77% | 0.77 | S | S | * | * | | | trans | -85.2 | 94.3 | 157.2 | -79.5 | -177.2 | 166.6 | 0 | 0 | 107 | G4 | G4-E6 PolarHBondContact O-N 3.46Š|
| 7 | E | 60.7 | Low | 54.7 | Low | 158 Ų | 158 | 147.2 Ų | 147.2 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | trans | -94.2 | 155.4 | 167.6 | -97.4 | -166.3 | 170.2 | 0 | 0 | 110.7 | M5 V9 | M5-E7 PolarHBondContact O-N 3.45Å; E7-V9 PolarHBondContact O-N 3.28Å |
| 8 | P | 55.7 | Low | 54.5 | Low | 100 Ų | 100 | 147.4 Ų | 147.4 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | trans | -89.7 | 111.5 | -136.2 | 32.8 | -33.9 | 0 | 0 | 0 | 113.4 | N10 | P8-N10 PolarHBondContact O-N 3.04Å; P8-N10 VanDerWaalsContact O-N 3.11Å |
| 9 | V | 57.1 | Low | 54.3 | Low | 138 Ų | 138 | 147 Ų | 147 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 41.2 | 174.4 | -167.5 | 0 | 0 | 0 | 0 | 111.4 | E7 | E7-V9 PolarHBondContact O-N 3.28Š|
| 10 | N | 57.9 | Low | 54.1 | Low | 128 Ų | 128 | 143.9 Ų | 143.9 | 68% | 0.684 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.3 | -0.9 | -171.5 | -105.5 | -12.1 | 0 | 0 | 0 | 118.1 | P8 | P8-N10 PolarHBondContact O-N 3.04Å; P8-N10 VanDerWaalsContact O-N 3.11Å |
| 11 | D | 55.3 | Low | 53.9 | Low | 86 Ų | 86 | 142.8 Ų | 142.8 | 46% | 0.46 | 73% | 0.729 | S | S | . | * | S | Bend | trans | -95.1 | -26.5 | 177.3 | -73.9 | -45 | 0 | 0 | 0 | 113.7 | V13 R14 | D11-V13 VanDerWaalsContact C-N 3.34Å; D11-V13 PolarHBondContact O-N 2.88Å; D11-R14 PolarHBondContact O-N 3.47Å; D11-R14 IonicContact OD1-CZ 3.61Å; D11-R14 IonicContact OD1-NH1 3.69Å; D11-R14 IonicContact OD1-NH2 2.88Å; D11-R14 PolarHBondContact OD1-NH2 3.11Å |
| 12 | Y | 52.9 | Low | 54.2 | Low | 195 Ų | 195 | 135.7 Ų | 135.7 | 77% | 0.765 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -23.1 | -179 | -87.3 | -79.6 | 0 | 0 | 0 | 114.8 | Y16 | Y12-Y16 WeakPolarHBondContact O-CD2 3.39Š|
| 13 | V | 55.2 | Low | 54.3 | Low | 110 Ų | 110 | 134.9 Ų | 134.9 | 67% | 0.667 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -20.5 | -177.4 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | D11 | D11-V13 VanDerWaalsContact C-N 3.34Å; D11-V13 PolarHBondContact O-N 2.88Å |
| 14 | R | 53.6 | Low | 54 | Low | 158 Ų | 158 | 131 Ų | 131 | 60% | 0.596 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -28.7 | -175.1 | -162.4 | 172.4 | 60.6 | -135.6 | -16.3 | 113.1 | D11 T17 | D11-R14 PolarHBondContact O-N 3.47Å; D11-R14 IonicContact OD1-CZ 3.61Å; D11-R14 IonicContact OD1-NH1 3.69Å; D11-R14 IonicContact OD1-NH2 2.88Å; D11-R14 PolarHBondContact OD1-NH2 3.11Å; R14-T17 PolarHBondContact O-OG1 3.18Å; R14-T17 VanDerWaalsContact O-OG1 3.04Å |
| 15 | E | 54.7 | Low | 53.8 | Low | 148 Ų | 148 | 133.2 Ų | 133.2 | 69% | 0.692 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.6 | -24.7 | 178.7 | -73.6 | -175.1 | 166.6 | 0 | 0 | 113.2 | T17 | E15-T17 VanDerWaalsContact C-N 3.32Å; E15-T17 PolarHBondContact O-N 2.93Å |
| 16 | Y | 51.7 | Low | 53.4 | Low | 165 Ų | 165 | 128.3 Ų | 128.3 | 65% | 0.647 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.4 | -15.2 | 179.6 | -84 | -80.7 | 0 | 0 | 0 | 114.6 | Y12 N20 | Y12-Y16 WeakPolarHBondContact O-CD2 3.39Å; Y16-N20 PolarHBondContact O-ND2 3.47Å |
| 17 | T | 52.9 | Low | 53 | Low | 88 Ų | 88 | 126 Ų | 126 | 54% | 0.54 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -87.4 | -24.9 | -179.6 | 32.7 | 0 | 0 | 0 | 0 | 114 | R14 E15 | R14-T17 PolarHBondContact O-OG1 3.18Å; R14-T17 VanDerWaalsContact O-OG1 3.04Å; E15-T17 VanDerWaalsContact C-N 3.32Å; E15-T17 PolarHBondContact O-N 2.93Å |
| 18 | E | 51.9 | Low | 52.6 | Low | 152 Ų | 152 | 126.5 Ų | 126.5 | 71% | 0.71 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -83.9 | -27.3 | -177.5 | -68.3 | -172.5 | 174.4 | 0 | 0 | 113.6 | T22 | E18-T22 PolarHBondContact O-OG1 2.86Å; E18-T22 VanDerWaalsContact O-OG1 3.09Å |
| 19 | E | 50.9 | Low | 52.2 | Low | 139 Ų | 139 | 132.3 Ų | 132.3 | 65% | 0.65 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -76.5 | -24.8 | 176.5 | -74.6 | -169.1 | 151.6 | 0 | 0 | 113.5 | T22 L23 | E19-T22 PolarHBondContact O-OG1 3.09Å; E19-L23 PolarHBondContact O-N 3.4Å |
| 20 | N | 49.7 | Very low | 51.9 | Low | 84 Ų | 84 | 134.9 Ų | 134.9 | 45% | 0.449 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -77.3 | -30.7 | -178.9 | -82.2 | -54.8 | 0 | 0 | 0 | 113.1 | Y16 T22 H24 | Y16-N20 PolarHBondContact O-ND2 3.47Å; N20-T22 VanDerWaalsContact C-N 3.34Å; N20-H24 PolarHBondContact O-N 2.91Å; N20-H24 VanDerWaalsContact O-N 3.14Å; N20-H24 PolarHBondContact O-ND1 3.35Å |
| 21 | D | 50.7 | Low | 51.4 | Low | 121 Ų | 121 | 139.7 Ų | 139.7 | 65% | 0.647 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.4 | -28.2 | 177.3 | -78.2 | -14.2 | 0 | 0 | 0 | 112.3 | N25 | D21-N25 PolarHBondContact O-N 3.1Å |
| 22 | T | 50.9 | Low | 51.3 | Low | 97 Ų | 97 | 144.7 Ų | 144.7 | 60% | 0.595 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -76.7 | -33.7 | 175.8 | 22.4 | 0 | 0 | 0 | 0 | 112.4 | E18 E19 N20 N25 A26 | E18-T22 PolarHBondContact O-OG1 2.86Å; E18-T22 VanDerWaalsContact O-OG1 3.09Å; E19-T22 PolarHBondContact O-OG1 3.09Å; N20-T22 VanDerWaalsContact C-N 3.34Å; T22-N25 PolarHBondContact O-N 3.19Å; T22-A26 PolarHBondContact O-N 3.24Å |
| 23 | L | 49.9 | Very low | 51.1 | Low | 112 Ų | 112 | 141 Ų | 141 | 59% | 0.586 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -72.2 | -36.9 | 174.3 | -77.5 | 166.5 | 0 | 0 | 0 | 112.9 | E19 N25 A26 | E19-L23 PolarHBondContact O-N 3.4Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 3.33Å; L23-A26 PolarHBondContact O-N 3.5Å |
| 24 | H | 47.7 | Very low | 51.3 | Low | 125 Ų | 125 | 145.4 Ų | 145.4 | 58% | 0.579 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -67.3 | -29.1 | 174.7 | -81.1 | 80 | 0 | 0 | 0 | 112.8 | N20 | N20-H24 PolarHBondContact O-N 2.91Å; N20-H24 VanDerWaalsContact O-N 3.14Å; N20-H24 PolarHBondContact O-ND1 3.35Å |
| 25 | N | 48.2 | Very low | 51.4 | Low | 124 Ų | 124 | 144 Ų | 144 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -80.7 | -23.9 | 176.1 | -116.9 | -36.7 | 0 | 0 | 0 | 113.9 | D21 T22 L23 | D21-N25 PolarHBondContact O-N 3.1Å; T22-N25 PolarHBondContact O-N 3.19Å; L23-N25 VanDerWaalsContact C-N 3.29Å; L23-N25 PolarHBondContact O-N 3.33Å |
| 26 | A | 53.2 | Low | 51.2 | Low | 67 Ų | 67 | 140.8 Ų | 140.8 | 55% | 0.554 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -73.2 | -29.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T22 L23 H28 | T22-A26 PolarHBondContact O-N 3.24Å; L23-A26 PolarHBondContact O-N 3.5Å; A26-H28 VanDerWaalsContact C-N 3.29Å; A26-H28 PolarHBondContact O-N 3.32Å |
| 27 | Q | 53.3 | Low | 51.6 | Low | 150 Ų | 150 | 137.9 Ų | 137.9 | 70% | 0.701 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | -10.1 | -177.1 | -73.9 | -174 | -22.4 | 0 | 0 | 114.8 | | |
| 28 | H | 50.9 | Low | 52 | Low | 169 Ų | 169 | 139.5 Ų | 139.5 | 78% | 0.782 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 5.5 | -179.9 | -92.5 | -72.9 | 0 | 0 | 0 | 115.6 | A26 | A26-H28 VanDerWaalsContact C-N 3.29Å; A26-H28 PolarHBondContact O-N 3.32Å |
| 29 | R | 48.3 | Very low | 52.5 | Low | 223 Ų | 223 | 137.3 Ų | 137.3 | 84% | 0.842 | 69% | 0.693 | S | S | * | * | | | trans | -98.3 | 24.2 | 179.4 | -73 | -170.1 | -178.5 | -180 | 3.2 | 115.5 | R31 | R29-R31 PolarHBondContact O-N 3.42Š|
| 30 | F | 50.6 | Low | 53.1 | Low | 192 Ų | 192 | 136.7 Ų | 136.7 | 84% | 0.842 | 69% | 0.693 | S | S | * | * | | | trans | -72.8 | 82.2 | 160.7 | -84.5 | -83.7 | 0 | 0 | 0 | 109.5 | K32 | F30-K32 PolarHBondContact O-N 3.37Å; F30-K32 VanDerWaalsContact O-N 3.08Å |
| 31 | R | 48 | Very low | 53.6 | Low | 228 Ų | 228 | 141.6 Ų | 141.6 | 86% | 0.86 | 71% | 0.711 | S | S | * | * | | | trans | -54.8 | 115.7 | 159.3 | -94.7 | -174.6 | 171.9 | 178.7 | -1.6 | 106.9 | R29 D33 | R29-R31 PolarHBondContact O-N 3.42Å; R31-D33 PolarHBondContact O-N 3.14Å |
| 32 | K | 52.3 | Low | 53.8 | Low | 192 Ų | 192 | 144.6 Ų | 144.6 | 84% | 0.835 | 72% | 0.715 | S | S | * | * | | | trans | -62.2 | 82.8 | 168.9 | -75.4 | 179 | 174.2 | 178 | 0 | 109 | F30 K34 | F30-K32 PolarHBondContact O-N 3.37Å; F30-K32 VanDerWaalsContact O-N 3.08Å; K32-K34 PolarHBondContact O-N 2.9Å |
| 33 | D | 49.6 | Very low | 53.7 | Low | 118 Ų | 118 | 143.6 Ų | 143.6 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | | | trans | -66.5 | 109.6 | 157.8 | -84.2 | -20.5 | 0 | 0 | 0 | 106.9 | R31 T35 S36 | R31-D33 PolarHBondContact O-N 3.14Å; D33-T35 PolarHBondContact O-N 3.17Å; D33-S36 PolarHBondContact O-OG 2.82Å |
| 34 | K | 58.2 | Low | 53.7 | Low | 201 Ų | 201 | 145.1 Ų | 145.1 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 15.7 | -176.4 | -66.6 | -178.1 | 176.7 | 179 | 0 | 113.3 | K32 | K32-K34 PolarHBondContact O-N 2.9Š|
| 35 | T | 56.3 | Low | 54 | Low | 128 Ų | 128 | 147.8 Ų | 147.8 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -5.7 | -173.8 | 30.7 | 0 | 0 | 0 | 0 | 113.4 | D33 | D33-T35 PolarHBondContact O-N 3.17Š|
| 36 | S | 50.4 | Low | 54.2 | Low | 81 Ų | 81 | 146.4 Ų | 146.4 | 57% | 0.566 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -95.3 | 127 | 174 | 2 | 0 | 0 | 0 | 0 | 110.1 | D33 | D33-S36 PolarHBondContact O-OG 2.82Š|
| 37 | P | 59.8 | Low | 54.2 | Low | 105 Ų | 105 | 149.8 Ų | 149.8 | 68% | 0.682 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 147.2 | 172 | 24.8 | -31.1 | 0 | 0 | 0 | 110 | V39 | P37-V39 PolarHBondContact O-N 3.28Å; P37-V39 VanDerWaalsContact O-N 3.09Å |
| 38 | P | 62 | Low | 53.8 | Low | 121 Ų | 121 | 153 Ų | 153 | 79% | 0.786 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -59 | 117.4 | 178.9 | 24.3 | -32.6 | 0 | 0 | 0 | 109.7 | L40 | P38-L40 PolarHBondContact O-N 2.93Š|
| 39 | V | 62.1 | Low | 53.3 | Low | 107 Ų | 107 | 148.6 Ų | 148.6 | 65% | 0.648 | 75% | 0.748 | S | S | * | * | | | trans | -77.2 | 103.7 | 172.2 | -179.1 | 0 | 0 | 0 | 0 | 107.2 | P37 F41 | P37-V39 PolarHBondContact O-N 3.28Å; P37-V39 VanDerWaalsContact O-N 3.09Å; V39-F41 HydrophobicContact CB-CE2 4.18Å; V39-F41 HydrophobicContact CG1-CD1 4.48Å; V39-F41 HydrophobicContact CG1-CD2 4.08Å; V39-F41 HydrophobicContact CG1-CE1 4.14Å; V39-F41 HydrophobicContact CG1-CE2 3.7Å; V39-F41 HydrophobicContact CG1-CG 4.46Å; V39-F41 HydrophobicContact CG1-CZ 3.74Å; V39-F41 PolarHBondContact O-N 2.87Å |
| 40 | L | 63.7 | Low | 52.8 | Low | 125 Ų | 125 | 140.3 Ų | 140.3 | 65% | 0.654 | 73% | 0.732 | S | S | * | * | | | trans | -78.3 | 106.7 | 167.8 | -78.6 | 162.4 | 0 | 0 | 0 | 108.1 | P38 Y42 | P38-L40 PolarHBondContact O-N 2.93Å; L40-Y42 HydrophobicContact CB-CD2 4.29Å; L40-Y42 HydrophobicContact CB-CE2 3.75Å; L40-Y42 HydrophobicContact CD1-CE2 4.41Å; L40-Y42 PolarHBondContact O-N 2.88Å |
| 41 | F | 58.8 | Low | 52.8 | Low | 187 Ų | 187 | 137.2 Ų | 137.2 | 82% | 0.82 | 73% | 0.729 | S | S | * | * | | | trans | -77.8 | 109.7 | 166.7 | -65.7 | -86.2 | 0 | 0 | 0 | 108 | V39 | V39-F41 HydrophobicContact CB-CE2 4.18Å; V39-F41 HydrophobicContact CG1-CD1 4.48Å; V39-F41 HydrophobicContact CG1-CD2 4.08Å; V39-F41 HydrophobicContact CG1-CE1 4.14Å; V39-F41 HydrophobicContact CG1-CE2 3.7Å; V39-F41 HydrophobicContact CG1-CG 4.46Å; V39-F41 HydrophobicContact CG1-CZ 3.74Å; V39-F41 PolarHBondContact O-N 2.87Å |
| 42 | Y | 55.8 | Low | 52.8 | Low | 184 Ų | 184 | 134 Ų | 134 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | | | trans | -90.3 | 119.5 | 163.8 | -67 | -84.7 | 0 | 0 | 0 | 107.2 | L40 | L40-Y42 HydrophobicContact CB-CD2 4.29Å; L40-Y42 HydrophobicContact CB-CE2 3.75Å; L40-Y42 HydrophobicContact CD1-CE2 4.41Å; L40-Y42 PolarHBondContact O-N 2.88Å |
| 43 | S | 47.8 | Very low | 52.4 | Low | 76 Ų | 76 | 127.9 Ų | 127.9 | 53% | 0.531 | 72% | 0.72 | S | S | . | * | | | trans | -81.4 | 132.6 | 165.6 | 49.6 | 0 | 0 | 0 | 0 | 108.5 | E45 S46 | S43-E45 PolarHBondContact O-N 3.34Å; S43-S46 PolarHBondContact O-OG 2.86Å |
| 44 | D | 50.6 | Low | 52.2 | Low | 145 Ų | 145 | 128.4 Ų | 128.4 | 78% | 0.775 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | 6.7 | 179.1 | -76.7 | -30.7 | 0 | 0 | 0 | 113.8 | | |
| 45 | E | 53.5 | Low | 51.7 | Low | 181 Ų | 181 | 127.6 Ų | 127.6 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -4.8 | -176.7 | -66 | -173.4 | 158.9 | 0 | 0 | 114 | S43 I47 | S43-E45 PolarHBondContact O-N 3.34Å; E45-I47 PolarHBondContact O-N 3.18Å |
| 46 | S | 53.5 | Low | 51.3 | Low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | 11.1 | -178.6 | 51.7 | 0 | 0 | 0 | 0 | 115.5 | S43 | S43-S46 PolarHBondContact O-OG 2.86Š|
| 47 | I | 53 | Low | 51.3 | Low | 137 Ų | 137 | 129 Ų | 129 | 70% | 0.703 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -6.2 | -170.6 | -21.5 | 176.6 | 0 | 0 | 0 | 113.8 | E45 | E45-I47 PolarHBondContact O-N 3.18Š|
| 48 | Y | 44.6 | Very low | 50.8 | Low | 218 Ų | 218 | 132.4 Ų | 132.4 | 86% | 0.855 | 74% | 0.741 | S | S | * | * | | | trans | -99.1 | 92.5 | 171.5 | -140.5 | -96.2 | 0 | 0 | 0 | 110.2 | G50 | Y48-G50 PolarHBondContact O-N 2.83Š|
| 49 | G | 40.7 | Very low | 50.4 | Low | 77 Ų | 77 | 131.4 Ų | 131.4 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | | | trans | -62 | 77.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 50 | G | 38.6 | Very low | 49.9 | Very low | 49 Ų | 49 | 136 Ų | 136 | 51% | 0.505 | 75% | 0.748 | S | S | . | * | | | trans | -83.4 | 109.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y48 N52 | Y48-G50 PolarHBondContact O-N 2.83Å; G50-N52 PolarHBondContact O-N 3.08Å |
| 51 | T | 49.6 | Very low | 49.3 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -68.2 | 24.8 | 174.7 | 51.7 | 0 | 0 | 0 | 0 | 114 | | |
| 52 | N | 47.6 | Very low | 48.6 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | | | trans | -115.5 | 44.2 | -171.2 | -66.5 | -14.6 | 0 | 0 | 0 | 111.9 | G50 | G50-N52 PolarHBondContact O-N 3.08Š|
| 53 | G | 43.9 | Very low | 48.5 | Very low | 63 Ų | 63 | 135.5 Ų | 135.5 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | | | trans | -142.9 | 22.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q55 | G53-Q55 PolarHBondContact O-N 3.36Š|
| 54 | V | 45.6 | Very low | 48.7 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 79% | 0.788 | 77% | 0.77 | S | S | * | * | | | trans | -69.2 | 73.7 | 168.2 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | Q56 | V54-Q56 HydrophobicContact CG1-CG 4.47Š|
| 55 | Q | 48.6 | Very low | 48.3 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | -98.7 | 98.1 | 157.3 | -73.4 | -169.5 | 11.5 | 0 | 0 | 106.2 | G53 G57 | G53-Q55 PolarHBondContact O-N 3.36Å; Q55-G57 PolarHBondContact O-N 2.78Å |
| 56 | Q | 47.4 | Very low | 48.1 | Very low | 172 Ų | 172 | 136 Ų | 136 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -58.1 | 89.1 | 160.8 | -73.2 | 177.5 | -13.1 | 0 | 0 | 107.7 | V54 E58 | V54-Q56 HydrophobicContact CG1-CG 4.47Å; Q56-E58 PolarHBondContact O-N 3Å |
| 57 | G | 49.3 | Very low | 47.7 | Very low | 67 Ų | 67 | 139.8 Ų | 139.8 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | | | trans | -76.4 | 99.4 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q55 S59 | Q55-G57 PolarHBondContact O-N 2.78Å; G57-S59 PolarHBondContact O-N 3.38Å |
| 58 | E | 49.8 | Very low | 47.5 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -61.7 | 83 | 171.9 | -62.9 | -177.7 | 142.8 | 0 | 0 | 110.1 | Q56 K60 | Q56-E58 PolarHBondContact O-N 3Å; E58-K60 PolarHBondContact O-N 3.32Å |
| 59 | S | 53 | Low | 47.8 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | | | trans | -80.2 | 95.5 | 164.2 | 67.7 | 0 | 0 | 0 | 0 | 108 | G57 Q61 | G57-S59 PolarHBondContact O-N 3.38Å; S59-Q61 PolarHBondContact O-N 2.99Å |
| 60 | K | 51.6 | Low | 48.2 | Very low | 205 Ų | 205 | 139.9 Ų | 139.9 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | | | trans | -60.3 | 89.6 | 160.1 | -73.2 | -179.9 | 177.5 | 179.1 | 0 | 108.3 | E58 | E58-K60 PolarHBondContact O-N 3.32Š|
| 61 | Q | 51.5 | Low | 48.8 | Very low | 155 Ų | 155 | 141.4 Ų | 141.4 | 72% | 0.724 | 78% | 0.784 | S | S | * | * | | | trans | -90.7 | 103.6 | 158.8 | -89.9 | -177.5 | -19 | 0 | 0 | 107.3 | S59 I63 | S59-Q61 PolarHBondContact O-N 2.99Å; Q61-I63 HydrophobicContact CB-CG1 4.31Å; Q61-I63 PolarHBondContact O-N 3.38Å |
| 62 | E | 43.8 | Very low | 48.8 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | | | trans | -68.2 | 101.2 | 163.6 | -148.8 | 168.8 | -157.4 | 0 | 0 | 106.2 | | |
| 63 | I | 55 | Low | 49.1 | Very low | 131 Ų | 131 | 142 Ų | 142 | 67% | 0.672 | 78% | 0.784 | S | S | * | * | | | trans | -95.4 | 104.3 | 174.2 | -54.1 | 176.2 | 0 | 0 | 0 | 106.1 | Q61 G65 | Q61-I63 HydrophobicContact CB-CG1 4.31Å; Q61-I63 PolarHBondContact O-N 3.38Å; I63-G65 PolarHBondContact O-N 2.85Å |
| 64 | D | 50.9 | Low | 49.8 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | | | trans | -62.9 | 115.4 | 171.4 | -156.6 | 7.3 | 0 | 0 | 0 | 108.9 | | |
| 65 | G | 43.8 | Very low | 50.3 | Low | 71 Ų | 71 | 147.5 Ų | 147.5 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | S | Bend | trans | 71.7 | 36 | 146 | 0 | 0 | 0 | 0 | 0 | 121.1 | I63 | I63-G65 PolarHBondContact O-N 2.85Š|
| 66 | E | 47.6 | Very low | 50.6 | Low | 176 Ų | 176 | 144.7 Ų | 144.7 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -163.2 | 122.5 | 147.6 | -128.3 | 175.4 | 174.2 | 0 | 0 | 112.2 | L68 | E66-L68 PolarHBondContact O-N 3.25Å; E66-L68 VanDerWaalsContact O-N 3.1Å |
| 67 | Q | 46.3 | Very low | 51.1 | Low | 176 Ų | 176 | 143.4 Ų | 143.4 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -75.9 | 98.6 | -179.9 | -158.2 | 177.3 | 29.4 | 0 | 0 | 109.1 | N69 | Q67-N69 PolarHBondContact O-N 3.09Š|
| 68 | L | 49 | Very low | 51.2 | Low | 160 Ų | 160 | 146.1 Ų | 146.1 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | | | trans | -67.3 | 94.3 | 169.9 | -84.5 | 164.6 | 0 | 0 | 0 | 109.2 | E66 V70 | E66-L68 PolarHBondContact O-N 3.25Å; E66-L68 VanDerWaalsContact O-N 3.1Å; L68-V70 VanDerWaalsContact C-N 3.27Å; L68-V70 HydrophobicContact CB-CG2 4.47Å; L68-V70 PolarHBondContact O-N 3.23Å |
| 69 | N | 50.3 | Low | 51.9 | Low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | -64.6 | 86.5 | 165.6 | -85.2 | -34.9 | 0 | 0 | 0 | 109.2 | Q67 A71 | Q67-N69 PolarHBondContact O-N 3.09Å; N69-A71 PolarHBondContact O-N 3.4Å |
| 70 | V | 48.4 | Very low | 52.1 | Low | 135 Ų | 135 | 151.6 Ų | 151.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | | | trans | -77.7 | 77 | 168.4 | -172.4 | 0 | 0 | 0 | 0 | 107.8 | L68 | L68-V70 VanDerWaalsContact C-N 3.27Å; L68-V70 HydrophobicContact CB-CG2 4.47Å; L68-V70 PolarHBondContact O-N 3.23Å |
| 71 | A | 51.2 | Low | 52.4 | Low | 80 Ų | 80 | 149.3 Ų | 149.3 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | | | trans | -86.2 | 130.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | N69 | N69-A71 PolarHBondContact O-N 3.4Š|
| 72 | Q | 50 | Low | 52.6 | Low | 171 Ų | 171 | 150.4 Ų | 150.4 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | trans | 99 | 117.8 | 163.4 | -54.5 | -169.9 | -4 | 0 | 0 | 117 | V74 | Q72-V74 PolarHBondContact O-N 2.91Š|
| 73 | P | 53.5 | Low | 53.2 | Low | 128 Ų | 128 | 149 Ų | 149 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | | | trans | -66.2 | 124.7 | 171.4 | 26.8 | -29.8 | 0 | 0 | 0 | 109.3 | E75 | P73-E75 PolarHBondContact O-N 3.43Š|
| 74 | V | 58.4 | Low | 53 | Low | 130 Ų | 130 | 148.6 Ų | 148.6 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | | | trans | -67.4 | 120.5 | 172.4 | 178.8 | 0 | 0 | 0 | 0 | 107.7 | Q72 T76 | Q72-V74 PolarHBondContact O-N 2.91Å; V74-T76 PolarHBondContact O-N 3.31Å |
| 75 | E | 57.4 | Low | 53.1 | Low | 179 Ų | 179 | 145.5 Ų | 145.5 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -57.1 | 106.4 | 169.6 | -69.1 | -176.5 | 163.7 | 0 | 0 | 109.2 | P73 L77 | P73-E75 PolarHBondContact O-N 3.43Å; E75-L77 PolarHBondContact O-N 2.78Å |
| 76 | T | 55.4 | Low | 53.8 | Low | 125 Ų | 125 | 149.1 Ų | 149.1 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | | | trans | -74.6 | 108.5 | 171.5 | 28.4 | 0 | 0 | 0 | 0 | 109.4 | V74 C78 | V74-T76 PolarHBondContact O-N 3.31Å; T76-C78 PolarHBondContact O-N 3.37Å |
| 77 | L | 56.6 | Low | 54.1 | Low | 145 Ų | 145 | 146.8 Ų | 146.8 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | | | trans | -64 | 109.3 | 169.3 | -70.5 | 165.9 | 0 | 0 | 0 | 109.8 | E75 Y79 | E75-L77 PolarHBondContact O-N 2.78Å; L77-Y79 PolarHBondContact O-N 3.19Å |
| 78 | C | 52.5 | Low | 54.7 | Low | 124 Ų | 124 | 146.3 Ų | 146.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | | | trans | -74.4 | 112.7 | 171.8 | -64.2 | 0 | 0 | 0 | 0 | 109.7 | T76 E80 | T76-C78 PolarHBondContact O-N 3.37Å; C78-E80 PolarHBondContact O-N 3.26Å |
| 79 | Y | 62.8 | Low | 54.7 | Low | 215 Ų | 215 | 147.9 Ų | 147.9 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | | | trans | -80 | 115.5 | 168.2 | -82.3 | -88.3 | 0 | 0 | 0 | 109.8 | L77 H81 | L77-Y79 PolarHBondContact O-N 3.19Å; Y79-H81 PolarHBondContact O-N 3.49Å |
| 80 | E | 57.2 | Low | 55.1 | Low | 176 Ų | 176 | 144.3 Ų | 144.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | -70.8 | 110.3 | 167.8 | -69.9 | -170.8 | 172.4 | 0 | 0 | 110 | C78 | C78-E80 PolarHBondContact O-N 3.26Š|
| 81 | H | 58.1 | Low | 55.6 | Low | 156 Ų | 156 | 147.4 Ų | 147.4 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | -87.9 | 110.1 | 174.7 | -174.6 | 84.5 | 0 | 0 | 0 | 110.5 | Y79 Q83 | Y79-H81 PolarHBondContact O-N 3.49Å; H81-Q83 WeakPolarHBondContact NE2-CG 3.38Å; H81-Q83 PolarHBondContact O-N 3.28Å |
| 82 | K | 56.5 | Low | 56.2 | Low | 179 Ų | 179 | 150.2 Ų | 150.2 | 78% | 0.778 | 79% | 0.79 | S | S | * | * | | | trans | -85.4 | 100.7 | 169.3 | -69.8 | -173.4 | 178 | -179.4 | 0 | 109.7 | T84 | K82-T84 PolarHBondContact O-N 3.43Š|
| 83 | Q | 55.7 | Low | 57 | Low | 167 Ų | 167 | 145.8 Ų | 145.8 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | | | trans | -71.7 | 110 | 170.6 | -100.1 | -174.3 | -16.3 | 0 | 0 | 110.5 | H81 | H81-Q83 WeakPolarHBondContact NE2-CG 3.38Å; H81-Q83 PolarHBondContact O-N 3.28Å |
| 84 | T | 52.4 | Low | 57.4 | Low | 123 Ų | 123 | 145.5 Ų | 145.5 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -90.5 | 96.8 | 160.5 | 49.4 | 0 | 0 | 0 | 0 | 108.9 | K82 N86 | K82-T84 PolarHBondContact O-N 3.43Å; T84-N86 PolarHBondContact O-N 3.25Å |
| 85 | S | 52.8 | Low | 57.6 | Low | 101 Ų | 101 | 146.8 Ų | 146.8 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | | | trans | -77.7 | 98.3 | 177.3 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 86 | N | 58.7 | Low | 57.6 | Low | 146 Ų | 146 | 145.7 Ų | 145.7 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | trans | -128.5 | 14.6 | 167.7 | -81 | -24.2 | 0 | 0 | 0 | 112.5 | T84 | T84-N86 PolarHBondContact O-N 3.25Š|
| 87 | V | 52.6 | Low | 57.7 | Low | 127 Ų | 127 | 144.8 Ų | 144.8 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | | | trans | -103.9 | 10.5 | -160.3 | -173.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 88 | L | 58.3 | Low | 57.8 | Low | 166 Ų | 166 | 143.6 Ų | 143.6 | 87% | 0.869 | 77% | 0.769 | S | S | * | * | | | trans | -124.6 | 31.5 | 179.2 | -68.1 | 172.5 | 0 | 0 | 0 | 114.9 | G90 | L88-G90 PolarHBondContact O-N 3.44Š|
| 89 | Q | 50.8 | Low | 58.7 | Low | 194 Ų | 194 | 146.1 Ų | 146.1 | 91% | 0.907 | 77% | 0.768 | S | S | * | * | | | trans | -91.1 | 31.6 | 164 | -75 | -176 | -7.5 | 0 | 0 | 112.4 | K91 | Q89-K91 PolarHBondContact O-N 3.07Š|
| 90 | G | 56.9 | Low | 59.1 | Low | 63 Ų | 63 | 147.8 Ų | 147.8 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | | | trans | -82.1 | 112.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.1 | L88 I92 | L88-G90 PolarHBondContact O-N 3.44Å; G90-I92 PolarHBondContact O-N 3.48Å |
| 91 | K | 60.8 | Low | 59.8 | Low | 201 Ų | 201 | 144.5 Ų | 144.5 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -38.2 | 119.3 | 175.9 | -64.3 | 168.2 | 178.9 | 176 | 0 | 112.3 | Q89 P93 | Q89-K91 PolarHBondContact O-N 3.07Å; K91-P93 WeakPolarHBondContact O-CD 3.47Å |
| 92 | I | 63.4 | Low | 60.5 | Low | 139 Ų | 139 | 144.6 Ų | 144.6 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | | | trans | -56.5 | 123.7 | 170.6 | -62 | 170.6 | 0 | 0 | 0 | 107.8 | G90 S94 F96 | G90-I92 PolarHBondContact O-N 3.48Å; I92-S94 PolarHBondContact O-N 2.84Å; I92-F96 HydrophobicContact CG2-CB 3.9Å; I92-F96 HydrophobicContact CG2-CG 4.48Å |
| 93 | P | 66.1 | Low | 61.4 | Low | 77 Ų | 77 | 147.1 Ų | 147.1 | 50% | 0.5 | 78% | 0.779 | S | S | . | * | | | trans | -57.8 | 135.2 | 176.2 | -22.2 | 32.1 | 0 | 0 | 0 | 110.1 | K91 L95 F96 | K91-P93 WeakPolarHBondContact O-CD 3.47Å; P93-L95 PolarHBondContact O-N 3.42Å; P93-F96 PolarHBondContact O-N 3.28Å |
| 94 | S | 63 | Low | 61.5 | Low | 122 Ų | 122 | 151.4 Ų | 151.4 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -6.9 | -178.7 | 64.2 | 0 | 0 | 0 | 0 | 114.6 | I92 | I92-S94 PolarHBondContact O-N 2.84Š|
| 95 | L | 61.4 | Low | 62 | Low | 157 Ų | 157 | 152.8 Ų | 152.8 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -13.7 | 177.1 | -64.4 | 168.8 | 0 | 0 | 0 | 112.8 | P93 S97 | P93-L95 PolarHBondContact O-N 3.42Å; L95-S97 VanDerWaalsContact C-N 3.29Å; L95-S97 PolarHBondContact O-N 2.98Å; L95-S97 VanDerWaalsContact O-N 3.07Å |
| 96 | F | 57.3 | Low | 62.5 | Low | 156 Ų | 156 | 155.5 Ų | 155.5 | 68% | 0.684 | 81% | 0.806 | S | S | * | * | | | trans | -79.3 | 83.1 | 165.3 | -84 | -94.5 | 0 | 0 | 0 | 108.8 | I92 P93 T98 | I92-F96 HydrophobicContact CG2-CB 3.9Å; I92-F96 HydrophobicContact CG2-CG 4.48Å; P93-F96 PolarHBondContact O-N 3.28Å; F96-T98 PolarHBondContact O-N 3Å |
| 97 | S | 57.2 | Low | 62.7 | Low | 107 Ų | 107 | 156.1 Ų | 156.1 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -68.9 | 95.4 | 169.4 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | L95 | L95-S97 VanDerWaalsContact C-N 3.29Å; L95-S97 PolarHBondContact O-N 2.98Å; L95-S97 VanDerWaalsContact O-N 3.07Å |
| 98 | T | 59.7 | Low | 63.3 | Low | 119 Ų | 119 | 157.8 Ų | 157.8 | 73% | 0.73 | 81% | 0.809 | S | S | * | * | | | trans | -62.4 | 133.3 | 164 | -33.1 | 0 | 0 | 0 | 0 | 107.9 | F96 | F96-T98 PolarHBondContact O-N 3Š|
| 99 | E | 71.7 | Confident | 63.6 | Low | 177 Ų | 177 | 157.3 Ų | 157.3 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | 92 | 108 | 174.2 | -49.4 | -169.2 | 178.6 | 0 | 0 | 117.7 | | |
| 100 | R | 69.8 | Low | 64.4 | Low | 251 Ų | 251 | 154.8 Ų | 154.8 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | | | trans | -111.3 | 122.2 | 150.6 | -68.4 | -176 | -179.8 | 175.9 | 0.3 | 107 | | |
| 101 | S | 72.5 | Confident | 64.9 | Low | 106 Ų | 106 | 161.4 Ų | 161.4 | 74% | 0.741 | 81% | 0.81 | S | S | * | * | | | trans | -84.7 | 137.4 | 178.2 | -177 | 0 | 0 | 0 | 0 | 110.9 | R103 | S101-R103 VanDerWaalsContact C-N 3.27Å; S101-R103 PolarHBondContact O-N 3.32Å |
| 102 | L | 72.1 | Confident | 65.3 | Low | 159 Ų | 159 | 158.3 Ų | 158.3 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | | | trans | -79.9 | 6.3 | -173.2 | -96.8 | 151.8 | 0 | 0 | 0 | 114.9 | H104 | L102-H104 PolarHBondContact O-N 3.34Š|
| 103 | R | 75.4 | Confident | 65.4 | Low | 232 Ų | 232 | 159.9 Ų | 159.9 | 88% | 0.875 | 81% | 0.812 | S | S | * | * | | | trans | -83 | 110.4 | 173.9 | -64.9 | -168.3 | -178.8 | -170.4 | 1.2 | 108.4 | S101 | S101-R103 VanDerWaalsContact C-N 3.27Å; S101-R103 PolarHBondContact O-N 3.32Å |
| 104 | H | 58.9 | Low | 65.4 | Low | 256 Ų | 256 | 167.5 Ų | 167.5 | 100% | 1.185 | 84% | 0.841 | S | S | * | * | | | trans | -55.6 | 0 | 178 | -77.8 | -85.1 | 0 | 0 | 0 | 113.1 | L102 | L102-H104 PolarHBondContact O-N 3.34Š|