| 1 | M | 51.7 | Low | 59.7 | Low | 237 Ų | 237 | 194.9 Ų | 194.9 | 100% | 1.167 | 86% | 0.859 | S | S | * | * | | | | 0 | 98.6 | 0 | -63.9 | -95.1 | 178.8 | 0 | 0 | 107.9 | | |
| 2 | H | 52.7 | Low | 59.5 | Low | 188 Ų | 188 | 195 Ų | 195 | 87% | 0.87 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 118.1 | -176.6 | -67 | 7.9 | 0 | 0 | 0 | 109.4 | R4 | H2-R4 PolarHBondContact O-N 3.1Š|
| 3 | R | 51.2 | Low | 58.8 | Low | 250 Ų | 250 | 192.4 Ų | 192.4 | 94% | 0.943 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 121.3 | 175.9 | -93.1 | -178.8 | 176.8 | 174.5 | -1.4 | 109 | Q5 | R3-Q5 PolarHBondContact O-N 3.27Š|
| 4 | R | 66.2 | Low | 57.9 | Low | 237 Ų | 237 | 182.9 Ų | 182.9 | 89% | 0.894 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.7 | 168.6 | -68.5 | -179.3 | 173.9 | -172 | -2.2 | 108.1 | H2 E6 | H2-R4 PolarHBondContact O-N 3.1Å; R4-E6 PolarHBondContact O-N 3.36Å |
| 5 | Q | 65.2 | Low | 57.4 | Low | 186 Ų | 186 | 179.4 Ų | 179.4 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | | | trans | -78 | 109.9 | 164.8 | -101 | 170.7 | 5 | 0 | 0 | 107.4 | R3 V7 | R3-Q5 PolarHBondContact O-N 3.27Å; Q5-V7 PolarHBondContact O-N 3.11Å |
| 6 | E | 64.5 | Low | 56.8 | Low | 152 Ų | 152 | 183.7 Ų | 183.7 | 71% | 0.71 | 84% | 0.842 | S | S | * | * | | | trans | -73.1 | 103.3 | 168.7 | -71.2 | 175.8 | 173.5 | 0 | 0 | 108 | R4 W8 | R4-E6 PolarHBondContact O-N 3.36Å; E6-W8 PolarHBondContact O-N 3.44Å |
| 7 | V | 65.8 | Low | 56.6 | Low | 121 Ų | 121 | 180.8 Ų | 180.8 | 73% | 0.733 | 83% | 0.834 | S | S | * | * | | | trans | -78 | 99 | 173 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | Q5 R9 | Q5-V7 PolarHBondContact O-N 3.11Å; V7-R9 PolarHBondContact O-N 3.32Å; V7-R9 VanDerWaalsContact O-N 3.08Å |
| 8 | W | 60.1 | Low | 56.1 | Low | 215 Ų | 215 | 180.5 Ų | 180.5 | 81% | 0.814 | 83% | 0.83 | S | S | * | * | | | trans | -63.5 | 105.7 | 171.3 | -67.3 | 88.2 | 0 | 0 | 0 | 109 | E6 Y10 | E6-W8 PolarHBondContact O-N 3.44Å; W8-Y10 PolarHBondContact O-N 2.95Å |
| 9 | R | 63.6 | Low | 55.7 | Low | 230 Ų | 230 | 178.5 Ų | 178.5 | 87% | 0.868 | 83% | 0.832 | S | S | * | * | | | trans | -75.5 | 115.9 | 168.1 | -68.7 | -160.7 | -174.1 | -155.5 | 4 | 108 | V7 | V7-R9 PolarHBondContact O-N 3.32Å; V7-R9 VanDerWaalsContact O-N 3.08Å |
| 10 | Y | 56.3 | Low | 55.3 | Low | 215 Ų | 215 | 176 Ų | 176 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.8 | 167 | -105.6 | -95.9 | 0 | 0 | 0 | 108.7 | W8 E12 | W8-Y10 PolarHBondContact O-N 2.95Å; Y10-E12 PolarHBondContact O-N 3Å |
| 11 | P | 59.8 | Low | 54.7 | Low | 113 Ų | 113 | 170.9 Ų | 170.9 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 124.1 | 167.5 | 25.3 | -29.4 | 0 | 0 | 0 | 108.2 | D13 | P11-D13 PolarHBondContact O-N 3.15Š|
| 12 | E | 57.5 | Low | 54.3 | Low | 196 Ų | 196 | 169.9 Ų | 169.9 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 131.6 | 172.2 | -80.8 | 172.3 | 146.6 | 0 | 0 | 109.6 | Y10 G14 | Y10-E12 PolarHBondContact O-N 3Å; E12-G14 VanDerWaalsContact C-N 3.33Å; E12-G14 PolarHBondContact O-N 3.14Å |
| 13 | D | 49.2 | Very low | 53.6 | Low | 161 Ų | 161 | 164.5 Ų | 164.5 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | | | trans | -59.3 | 82.9 | -168.7 | -160.8 | 11.2 | 0 | 0 | 0 | 112.1 | P11 N15 | P11-D13 PolarHBondContact O-N 3.15Å; D13-N15 PolarHBondContact O-N 2.77Å; D13-N15 VanDerWaalsContact O-N 3.07Å |
| 14 | G | 47.1 | Very low | 53.6 | Low | 60 Ų | 60 | 157.4 Ų | 157.4 | 62% | 0.619 | 80% | 0.803 | S | S | * | * | | | trans | -74.2 | 87.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | E12 | E12-G14 VanDerWaalsContact C-N 3.33Å; E12-G14 PolarHBondContact O-N 3.14Å |
| 15 | N | 49.9 | Very low | 52.8 | Low | 130 Ų | 130 | 154.7 Ų | 154.7 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | | | trans | 164.8 | 79.5 | 135.4 | -84.5 | -24.9 | 0 | 0 | 0 | 110.5 | D13 L17 | D13-N15 PolarHBondContact O-N 2.77Å; D13-N15 VanDerWaalsContact O-N 3.07Å; N15-L17 PolarHBondContact O-N 2.86Å |
| 16 | R | 48.5 | Very low | 51.8 | Low | 248 Ų | 248 | 155 Ų | 155 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | | | trans | -71.9 | 55.5 | 159 | -153.7 | 178.3 | -176.6 | -164 | 2.3 | 109.8 | K18 | R16-K18 PolarHBondContact O-N 3.16Š|
| 17 | L | 52.8 | Low | 51 | Low | 134 Ų | 134 | 156.5 Ų | 156.5 | 70% | 0.702 | 81% | 0.809 | S | S | * | * | | | trans | -79.5 | 100.7 | 173.3 | -116.7 | 137.4 | 0 | 0 | 0 | 107 | N15 V19 | N15-L17 PolarHBondContact O-N 2.86Å; L17-V19 PolarHBondContact O-N 3.11Å |
| 18 | K | 47.7 | Very low | 50.3 | Low | 176 Ų | 176 | 154.6 Ų | 154.6 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | trans | -54.2 | 106.5 | 172 | -78.2 | 175.3 | 172.6 | 177.4 | 0 | 108.7 | R16 T20 | R16-K18 PolarHBondContact O-N 3.16Å; K18-T20 PolarHBondContact O-N 3.08Å |
| 19 | V | 48.5 | Very low | 49.8 | Very low | 142 Ų | 142 | 153 Ų | 153 | 86% | 0.861 | 81% | 0.807 | S | S | * | * | | | trans | -72.4 | 85.5 | 166.7 | -176.1 | 0 | 0 | 0 | 0 | 107.4 | L17 | L17-V19 PolarHBondContact O-N 3.11Š|
| 20 | T | 46.8 | Very low | 48.9 | Very low | 128 Ų | 128 | 148.4 Ų | 148.4 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | | | trans | -99.7 | 101.8 | 166.4 | 42.9 | 0 | 0 | 0 | 0 | 107.6 | K18 | K18-T20 PolarHBondContact O-N 3.08Š|
| 21 | G | 42.9 | Very low | 48.5 | Very low | 69 Ų | 69 | 144.2 Ų | 144.2 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | | | trans | 166.5 | 62.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 22 | K | 45 | Very low | 48 | Very low | 217 Ų | 217 | 144.2 Ų | 144.2 | 94% | 0.943 | 79% | 0.791 | S | S | * | * | | | trans | -84.8 | 123.7 | 164.9 | -92.5 | -173.3 | 173.4 | -177.1 | 0 | 108.6 | | |
| 23 | G | 37.8 | Very low | 47.7 | Very low | 75 Ų | 75 | 144.4 Ų | 144.4 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | trans | 96.4 | 108.9 | 141 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 24 | A | 51.4 | Low | 47.7 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 83% | 0.826 | 78% | 0.782 | S | S | * | * | S | Bend | | 170.2 | -19 | 97.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 25 | E | 47.9 | Very low | 48 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -87.7 | -20.1 | -165.7 | -155.5 | 167.5 | -171.8 | 0 | 0 | 114.7 | Q27 | E25-Q27 VanDerWaalsContact C-N 3.29Å; E25-Q27 PolarHBondContact O-N 2.65Å |
| 26 | E | 45.4 | Very low | 48.2 | Very low | 191 Ų | 191 | 146.6 Ų | 146.6 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -77.3 | -8.4 | -174.7 | -156 | 176.6 | -177.3 | 0 | 0 | 114.2 | | |
| 27 | Q | 47.1 | Very low | 48.9 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | G | 310 helix | trans | -84.9 | -8.7 | -174.9 | -114.1 | -162.4 | 10.4 | 0 | 0 | 115.6 | E25 | E25-Q27 VanDerWaalsContact C-N 3.29Å; E25-Q27 PolarHBondContact O-N 2.65Å |
| 28 | A | 52.2 | Low | 48.7 | Very low | 81 Ų | 81 | 147.4 Ų | 147.4 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -91.1 | -27 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 29 | E | 48 | Very low | 49 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -89.1 | -4 | -169.1 | -71.6 | -168.7 | 154.5 | 0 | 0 | 115.3 | T31 | E29-T31 PolarHBondContact O-N 3.29Š|
| 30 | E | 45.6 | Very low | 49.4 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 62% | 0.621 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 36.8 | -175.3 | -147.5 | -169.7 | 180 | 0 | 0 | 115.4 | R33 | E30-R33 IonicContact OE1-CZ 3.5Å; E30-R33 IonicContact OE1-NE 3.57Å; E30-R33 IonicContact OE1-NH2 2.73Å; E30-R33 PolarHBondContact OE1-NH2 3.02Å |
| 31 | T | 46.9 | Very low | 49.9 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 2.4 | 178.1 | 52 | 0 | 0 | 0 | 0 | 116.7 | E29 | E29-T31 PolarHBondContact O-N 3.29Š|
| 32 | T | 50.8 | Low | 50.3 | Low | 113 Ų | 113 | 151.8 Ų | 151.8 | 69% | 0.693 | 80% | 0.799 | S | S | * | * | | | trans | -119.4 | 50.9 | -179.6 | 7.9 | 0 | 0 | 0 | 0 | 113.5 | M34 | T32-M34 PolarHBondContact O-N 3.16Š|
| 33 | R | 51.4 | Low | 50.4 | Low | 199 Ų | 199 | 145 Ų | 145 | 75% | 0.751 | 79% | 0.791 | S | S | * | * | | | trans | -72.1 | 79.4 | 160.8 | -67.9 | -171.3 | -176.4 | -159.1 | 5 | 109.2 | E30 T35 | E30-R33 IonicContact OE1-CZ 3.5Å; E30-R33 IonicContact OE1-NE 3.57Å; E30-R33 IonicContact OE1-NH2 2.73Å; E30-R33 PolarHBondContact OE1-NH2 3.02Å; R33-T35 PolarHBondContact O-N 2.89Å; R33-T35 VanDerWaalsContact O-N 3.09Å |
| 34 | M | 47.4 | Very low | 51.1 | Low | 169 Ų | 169 | 147.9 Ų | 147.9 | 83% | 0.833 | 79% | 0.794 | S | S | * | * | | | trans | -58.3 | 111.6 | 169.4 | -77.3 | -166 | 170.5 | 0 | 0 | 109.2 | T32 | T32-M34 PolarHBondContact O-N 3.16Š|
| 35 | T | 54.3 | Low | 50.8 | Low | 124 Ų | 124 | 154 Ų | 154 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | | | trans | -65 | 126 | -178.8 | -39.7 | 0 | 0 | 0 | 0 | 110.5 | R33 R37 | R33-T35 PolarHBondContact O-N 2.89Å; R33-T35 VanDerWaalsContact O-N 3.09Å; T35-R37 PolarHBondContact O-N 2.75Å |
| 36 | P | 54.6 | Low | 50.9 | Low | 105 Ų | 105 | 152.8 Ų | 152.8 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | | | trans | -66.4 | 117.7 | 175.5 | -17.8 | 30.2 | 0 | 0 | 0 | 110.8 | H38 | P36-H38 PolarHBondContact O-N 3.22Š|
| 37 | R | 62.2 | Low | 51.3 | Low | 227 Ų | 227 | 151.6 Ų | 151.6 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | | | trans | -74 | 91 | 171.1 | -68.6 | -177.3 | 178.4 | 176.3 | -0.4 | 109.2 | T35 H39 | T35-R37 PolarHBondContact O-N 2.75Å; R37-H39 PolarHBondContact O-N 2.79Å; R37-H39 PolarHBondContact O-ND1 2.99Å |
| 38 | H | 50.1 | Low | 51.3 | Low | 172 Ų | 172 | 151 Ų | 151 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | | | trans | -53.5 | 107.7 | 168.2 | -80.7 | -85.9 | 0 | 0 | 0 | 110.1 | P36 L40 | P36-H38 PolarHBondContact O-N 3.22Å; H38-L40 PolarHBondContact O-N 2.99Å |
| 39 | H | 53.9 | Low | 50.9 | Low | 169 Ų | 169 | 150.6 Ų | 150.6 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | -76.9 | 104.7 | 167.8 | -79.8 | 35 | 0 | 0 | 0 | 107.9 | R37 L41 | R37-H39 PolarHBondContact O-N 2.79Å; R37-H39 PolarHBondContact O-ND1 2.99Å; H39-L41 PolarHBondContact O-N 3.26Å; H39-L41 VanDerWaalsContact O-N 3.16Å |
| 40 | L | 56 | Low | 51.1 | Low | 170 Ų | 170 | 152.7 Ų | 152.7 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | | | trans | -59.6 | 111.7 | 169.9 | -83.4 | 144.9 | 0 | 0 | 0 | 108.7 | H38 A42 | H38-L40 PolarHBondContact O-N 2.99Å; L40-A42 PolarHBondContact O-N 2.78Å |
| 41 | L | 58.1 | Low | 51 | Low | 175 Ų | 175 | 152.2 Ų | 152.2 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | | | trans | -60.1 | 105.6 | 172.2 | -72.4 | 161.5 | 0 | 0 | 0 | 108.6 | H39 G43 | H39-L41 PolarHBondContact O-N 3.26Å; H39-L41 VanDerWaalsContact O-N 3.16Å; L41-G43 PolarHBondContact O-N 3.04Å; L41-G43 VanDerWaalsContact O-N 3.11Å |
| 42 | A | 50.8 | Low | 51.2 | Low | 92 Ų | 92 | 153 Ų | 153 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | trans | -61.4 | 110.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | L40 T44 | L40-A42 PolarHBondContact O-N 2.78Å; A42-T44 PolarHBondContact O-N 3.23Å; A42-T44 VanDerWaalsContact O-N 3.16Å |
| 43 | G | 46.6 | Very low | 50.9 | Low | 75 Ų | 75 | 153.7 Ų | 153.7 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | | | trans | -69.5 | 105.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | L41 R45 | L41-G43 PolarHBondContact O-N 3.04Å; L41-G43 VanDerWaalsContact O-N 3.11Å; G43-R45 PolarHBondContact O-N 3.34Å; G43-R45 VanDerWaalsContact O-N 3.14Å |
| 44 | T | 53 | Low | 50.7 | Low | 136 Ų | 136 | 155.4 Ų | 155.4 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | | | trans | -75.3 | 96.4 | 163.2 | 39.4 | 0 | 0 | 0 | 0 | 108.9 | A42 E46 | A42-T44 PolarHBondContact O-N 3.23Å; A42-T44 VanDerWaalsContact O-N 3.16Å; T44-E46 PolarHBondContact O-N 3.3Å; T44-E46 VanDerWaalsContact O-N 3.15Å |
| 45 | R | 45.7 | Very low | 50.4 | Low | 227 Ų | 227 | 153.6 Ų | 153.6 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | | | trans | -64.8 | 98.3 | 162.1 | -87.2 | 176.5 | 160.1 | 171.7 | -5 | 108.8 | G43 | G43-R45 PolarHBondContact O-N 3.34Å; G43-R45 VanDerWaalsContact O-N 3.14Å |
| 46 | E | 50 | Low | 50.2 | Low | 157 Ų | 157 | 151.8 Ų | 151.8 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -99.8 | 94.1 | 166.7 | -161.4 | 166.2 | -154.8 | 0 | 0 | 108.9 | T44 F48 | T44-E46 PolarHBondContact O-N 3.3Å; T44-E46 VanDerWaalsContact O-N 3.15Å; E46-F48 HydrophobicContact CG-CD2 3.73Å; E46-F48 HydrophobicContact CG-CE2 3.64Å; E46-F48 PolarHBondContact O-N 2.87Å; E46-F48 VanDerWaalsContact OE1-CE2 3.25Å; E46-F48 WeakPolarHBondContact OE1-CE2 3.25Å |
| 47 | Q | 52.1 | Low | 49.6 | Very low | 166 Ų | 166 | 154.1 Ų | 154.1 | 78% | 0.776 | 81% | 0.809 | S | S | * | * | | | trans | -82.4 | 91.1 | 174.8 | -70.2 | -179.5 | -19.3 | 0 | 0 | 109.2 | G49 | Q47-G49 PolarHBondContact O-N 2.84Š|
| 48 | F | 48.6 | Very low | 48.9 | Very low | 171 Ų | 171 | 146.7 Ų | 146.7 | 75% | 0.75 | 80% | 0.803 | S | S | * | * | | | trans | -93.1 | 87.8 | 160 | -81.5 | -71 | 0 | 0 | 0 | 109.6 | E46 R50 | E46-F48 HydrophobicContact CG-CD2 3.73Å; E46-F48 HydrophobicContact CG-CE2 3.64Å; E46-F48 PolarHBondContact O-N 2.87Å; E46-F48 VanDerWaalsContact OE1-CE2 3.25Å; E46-F48 WeakPolarHBondContact OE1-CE2 3.25Å; F48-R50 PolarHBondContact O-N 3.36Å; F48-R50 VanDerWaalsContact O-N 3.11Å |
| 49 | G | 43.5 | Very low | 49 | Very low | 73 Ų | 73 | 149.5 Ų | 149.5 | 75% | 0.753 | 81% | 0.807 | S | S | * | * | | | trans | -66.6 | 99.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q47 | Q47-G49 PolarHBondContact O-N 2.84Š|
| 50 | R | 51.3 | Low | 49.2 | Very low | 226 Ų | 226 | 146.8 Ų | 146.8 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -98.5 | 104.4 | 162 | -99.2 | -173.9 | 163.9 | -171.6 | -4.5 | 108.9 | F48 D52 | F48-R50 PolarHBondContact O-N 3.36Å; F48-R50 VanDerWaalsContact O-N 3.11Å; R50-D52 PolarHBondContact O-N 3.09Å |
| 51 | T | 44.3 | Very low | 49 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -75.3 | 92.6 | 174.3 | -41.9 | 0 | 0 | 0 | 0 | 109 | | |
| 52 | D | 51.7 | Low | 48.8 | Very low | 145 Ų | 145 | 148 Ų | 148 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | | | trans | -102.7 | 94.9 | 167.6 | -76.4 | -32.2 | 0 | 0 | 0 | 109.5 | R50 R54 | R50-D52 PolarHBondContact O-N 3.09Å; D52-R54 PolarHBondContact O-N 2.84Å; D52-R54 VanDerWaalsContact O-N 3.1Å |
| 53 | T | 44.1 | Very low | 49.1 | Very low | 127 Ų | 127 | 150.7 Ų | 150.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | | | trans | -68.9 | 97 | 170.9 | -26.9 | 0 | 0 | 0 | 0 | 108.1 | | |
| 54 | R | 46.9 | Very low | 49.5 | Very low | 235 Ų | 235 | 155.1 Ų | 155.1 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | | | trans | -120.1 | 91.4 | 168.3 | -149.8 | 174.2 | -179.6 | -177.2 | -0 | 110.5 | D52 A56 | D52-R54 PolarHBondContact O-N 2.84Å; D52-R54 VanDerWaalsContact O-N 3.1Å; R54-A56 PolarHBondContact O-N 2.9Å |
| 55 | T | 40.9 | Very low | 49.4 | Very low | 130 Ų | 130 | 154.9 Ų | 154.9 | 80% | 0.798 | 78% | 0.781 | S | S | * | * | | | trans | -48.4 | 119.5 | 155.5 | 35.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 56 | A | 49.6 | Very low | 50 | Low | 86 Ų | 86 | 152.8 Ų | 152.8 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | | | trans | -179.6 | 102.9 | 142.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | R54 | R54-A56 PolarHBondContact O-N 2.9Š|
| 57 | T | 43.1 | Very low | 50 | Low | 154 Ų | 154 | 153.7 Ų | 153.7 | 95% | 0.945 | 78% | 0.782 | S | S | * | * | | | trans | -6.2 | 127.5 | 139.1 | 11 | 0 | 0 | 0 | 0 | 115.7 | | |
| 58 | G | 46 | Very low | 49.8 | Very low | 72 Ų | 72 | 154.5 Ų | 154.5 | 74% | 0.742 | 79% | 0.785 | S | S | * | * | | | trans | 124.9 | 76.8 | 151.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 59 | R | 53.1 | Low | 49.9 | Very low | 231 Ų | 231 | 157.1 Ų | 157.1 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | | 175.9 | 134 | 119.1 | -96 | 169.9 | -172.8 | -100.8 | 1.3 | 108.4 | Y61 | R59-Y61 PolarHBondContact O-N 3.37Š|
| 60 | P | 57.2 | Low | 50.4 | Low | 111 Ų | 111 | 157.3 Ų | 157.3 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | | | trans | -61.2 | 107.3 | 160.2 | 26.4 | -29.7 | 0 | 0 | 0 | 106.5 | H62 | P60-H62 PolarHBondContact O-N 2.73Š|
| 61 | Y | 52.7 | Low | 50.5 | Low | 213 Ų | 213 | 151.5 Ų | 151.5 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | -66.7 | 103.7 | 172.7 | -161.1 | -98.3 | 0 | 0 | 0 | 105.8 | R59 H63 | R59-Y61 PolarHBondContact O-N 3.37Å; Y61-H63 VanDerWaalsContact C-N 3.3Å; Y61-H63 PolarHBondContact O-N 2.95Å |
| 62 | H | 54.7 | Low | 51 | Low | 158 Ų | 158 | 152.3 Ų | 152.3 | 73% | 0.731 | 77% | 0.773 | S | S | * | * | | | trans | -60.5 | 101.6 | 169.3 | -77.9 | -66.9 | 0 | 0 | 0 | 106.8 | P60 K64 | P60-H62 PolarHBondContact O-N 2.73Å; H62-K64 PolarHBondContact O-N 3.27Å |
| 63 | H | 55.5 | Low | 50.9 | Low | 148 Ų | 148 | 154 Ų | 154 | 69% | 0.685 | 78% | 0.777 | S | S | * | * | | | trans | -61.3 | 90.2 | 164.2 | -167 | 66 | 0 | 0 | 0 | 105.6 | Y61 D65 | Y61-H63 VanDerWaalsContact C-N 3.3Å; Y61-H63 PolarHBondContact O-N 2.95Å; H63-D65 VanDerWaalsContact C-N 3.3Å; H63-D65 IonicContact CD2-OD1 3.29Å; H63-D65 PolarHBondContact CD2-OD1 3.25Å; H63-D65 VanDerWaalsContact CD2-OD1 3.29Å; H63-D65 IonicContact NE2-OD1 3.79Å; H63-D65 PolarHBondContact O-N 3.49Å; H63-D65 VanDerWaalsContact O-N 3.08Å |
| 64 | K | 55.5 | Low | 51.4 | Low | 168 Ų | 168 | 155.2 Ų | 155.2 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | trans | -62.9 | 108.4 | 157.5 | -74.5 | -86.9 | -179.8 | 174.3 | 0 | 102.4 | H62 K66 | H62-K64 PolarHBondContact O-N 3.27Å; K64-K66 PolarHBondContact O-N 3.46Å |
| 65 | D | 52.2 | Low | 51.6 | Low | 132 Ų | 132 | 146.8 Ų | 146.8 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -49.6 | 86.8 | 160.7 | -64.8 | -39.7 | 0 | 0 | 0 | 106.1 | H63 H67 | H63-D65 VanDerWaalsContact C-N 3.3Å; H63-D65 IonicContact CD2-OD1 3.29Å; H63-D65 PolarHBondContact CD2-OD1 3.25Å; H63-D65 VanDerWaalsContact CD2-OD1 3.29Å; H63-D65 IonicContact NE2-OD1 3.79Å; H63-D65 PolarHBondContact O-N 3.49Å; H63-D65 VanDerWaalsContact O-N 3.08Å; D65-H67 PolarHBondContact O-N 3.41Å |
| 66 | K | 56.9 | Low | 52.5 | Low | 182 Ų | 182 | 149 Ų | 149 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -72 | 95.2 | 166 | -72.3 | -173.8 | -177.3 | -178.5 | 0 | 100.9 | K64 E68 | K64-K66 PolarHBondContact O-N 3.46Å; K66-E68 VanDerWaalsContact C-N 3.27Å; K66-E68 PolarHBondContact O-N 3.36Å |
| 67 | H | 50.7 | Low | 52.6 | Low | 177 Ų | 177 | 150.6 Ų | 150.6 | 82% | 0.819 | 77% | 0.768 | S | S | * | * | | | trans | -21.2 | 98.8 | 162 | -105.4 | -70.2 | 0 | 0 | 0 | 107.4 | D65 R69 | D65-H67 PolarHBondContact O-N 3.41Å; H67-R69 PolarHBondContact O-N 3.34Å |
| 68 | E | 47.5 | Very low | 53.3 | Low | 182 Ų | 182 | 150.6 Ų | 150.6 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | | | trans | -59.5 | 100 | 164.8 | -159.6 | 167.1 | -160.4 | 0 | 0 | 101 | K66 S70 | K66-E68 VanDerWaalsContact C-N 3.27Å; K66-E68 PolarHBondContact O-N 3.36Å; E68-S70 PolarHBondContact O-N 3.47Å |
| 69 | R | 51 | Low | 53.8 | Low | 227 Ų | 227 | 151.8 Ų | 151.8 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | | | trans | -58.2 | 104.5 | 176 | -85.2 | -179.3 | 174 | 172.6 | -3.3 | 102.8 | H67 S71 | H67-R69 PolarHBondContact O-N 3.34Å; R69-S71 PolarHBondContact O-N 3.22Å |
| 70 | S | 53.9 | Low | 53.9 | Low | 77 Ų | 77 | 146.7 Ų | 146.7 | 54% | 0.538 | 74% | 0.742 | S | S | . | * | | | trans | -45.3 | 117.7 | 174.1 | 40.6 | 0 | 0 | 0 | 0 | 105.5 | E68 D72 | E68-S70 PolarHBondContact O-N 3.47Å; S70-D72 PolarHBondContact O-N 3.4Å |
| 71 | S | 52.4 | Low | 53.9 | Low | 103 Ų | 103 | 147.3 Ų | 147.3 | 72% | 0.72 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -69 | 18.8 | 173.9 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | R69 E73 L74 | R69-S71 PolarHBondContact O-N 3.22Å; S71-E73 PolarHBondContact O-N 3.42Å; S71-L74 PolarHBondContact O-N 3.47Å |
| 72 | D | 54.9 | Low | 54.1 | Low | 140 Ų | 140 | 143.1 Ų | 143.1 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -72.8 | -8 | 178.4 | -66.5 | -21 | 0 | 0 | 0 | 112.5 | S70 | S70-D72 PolarHBondContact O-N 3.4Š|
| 73 | E | 51 | Low | 54.2 | Low | 182 Ų | 182 | 141.7 Ų | 141.7 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -89.7 | -1.6 | 173.4 | -72.2 | -169.3 | -174.1 | 0 | 0 | 114.5 | S71 G75 | S71-E73 PolarHBondContact O-N 3.42Å; E73-G75 PolarHBondContact O-N 3.36Å |
| 74 | L | 53.5 | Low | 54.3 | Low | 152 Ų | 152 | 143.5 Ų | 143.5 | 80% | 0.796 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -76.2 | 72.8 | 157.6 | -68.5 | 178.7 | 0 | 0 | 0 | 107.4 | S71 Q76 | S71-L74 PolarHBondContact O-N 3.47Å; L74-Q76 PolarHBondContact O-N 3.24Å |
| 75 | G | 51 | Low | 54.4 | Low | 58 Ų | 58 | 142.2 Ų | 142.2 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | | | trans | -43.5 | 136 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | E73 | E73-G75 PolarHBondContact O-N 3.36Š|
| 76 | Q | 60.5 | Low | 54.6 | Low | 175 Ų | 175 | 144.6 Ų | 144.6 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | | | trans | -36.5 | 129.8 | -174.7 | -81.5 | 176.4 | -65.1 | 0 | 0 | 110.7 | L74 Q78 | L74-Q76 PolarHBondContact O-N 3.24Å; Q76-Q78 PolarHBondContact O-N 3.33Å |
| 77 | P | 51.8 | Low | 54.5 | Low | 120 Ų | 120 | 144.2 Ų | 144.2 | 78% | 0.779 | 72% | 0.721 | S | S | * | * | | | trans | -52.2 | 111.1 | 179.3 | 20.5 | -31.3 | 0 | 0 | 0 | 107.8 | P79 | P77-P79 WeakPolarHBondContact O-CD 3.05Š|
| 78 | Q | 56.9 | Low | 54.8 | Low | 154 Ų | 154 | 140.7 Ų | 140.7 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | | | trans | -58.7 | 113 | -177.2 | -75.4 | -171.3 | -9.4 | 0 | 0 | 107.6 | Q76 L80 | Q76-Q78 PolarHBondContact O-N 3.33Å; Q78-L80 PolarHBondContact O-N 3.37Å |
| 79 | P | 57.2 | Low | 55.2 | Low | 97 Ų | 97 | 135.1 Ų | 135.1 | 63% | 0.63 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -8.7 | -177.6 | -20 | 32.7 | 0 | 0 | 0 | 112.9 | P77 L81 I82 | P77-P79 WeakPolarHBondContact O-CD 3.05Å; P79-L81 VanDerWaalsContact C-N 3.28Å; P79-L81 PolarHBondContact O-N 3.27Å; P79-I82 PolarHBondContact O-N 3.44Å |
| 80 | L | 55.6 | Low | 55.5 | Low | 124 Ų | 124 | 131.9 Ų | 131.9 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -67.8 | -21.5 | -172.8 | -112.6 | 114 | 0 | 0 | 0 | 114.5 | Q78 | Q78-L80 PolarHBondContact O-N 3.37Å |
| 81 | L | 56.4 | Low | 55.5 | Low | 124 Ų | 124 | 133.7 Ų | 133.7 | 65% | 0.649 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -78.5 | -29.6 | 179 | -69.9 | 175.5 | 0 | 0 | 0 | 112.9 | P79 L83 R84 | P79-L81 VanDerWaalsContact C-N 3.28Å; P79-L81 PolarHBondContact O-N 3.27Å; L81-L83 VanDerWaalsContact C-N 3.35Å; L81-L83 PolarHBondContact O-N 3.34Å; L81-R84 PolarHBondContact O-N 2.74Å |
| 82 | I | 57.1 | Low | 55.8 | Low | 126 Ų | 126 | 134.2 Ų | 134.2 | 65% | 0.646 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -68.7 | -36.5 | -178.6 | -62 | 174.4 | 0 | 0 | 0 | 110.8 | P79 R84 L85 Y86 | P79-I82 PolarHBondContact O-N 3.44Å; I82-R84 VanDerWaalsContact C-N 3.3Å; I82-R84 PolarHBondContact O-N 2.96Å; I82-L85 PolarHBondContact O-N 3.09Å; I82-Y86 PolarHBondContact O-N 2.9Å |
| 83 | L | 56.9 | Low | 55.9 | Low | 127 Ų | 127 | 134.5 Ų | 134.5 | 67% | 0.665 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -67.4 | -28.4 | -179.1 | -68.6 | 172.6 | 0 | 0 | 0 | 113.3 | L81 Y86 R87 | L81-L83 VanDerWaalsContact C-N 3.35Å; L81-L83 PolarHBondContact O-N 3.34Å; L83-Y86 PolarHBondContact O-N 3.39Å; L83-R87 PolarHBondContact O-N 3.08Å |
| 84 | R | 58.2 | Low | 56.2 | Low | 186 Ų | 186 | 130.1 Ų | 130.1 | 70% | 0.702 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -68.2 | -36.3 | 178.4 | -78.9 | -172 | 178.8 | -173.7 | 1.4 | 112.5 | L81 I82 | L81-R84 PolarHBondContact O-N 2.74Å; I82-R84 VanDerWaalsContact C-N 3.3Å; I82-R84 PolarHBondContact O-N 2.96Å |
| 85 | L | 57.3 | Low | 56.4 | Low | 141 Ų | 141 | 132 Ų | 132 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68 | -40.2 | 177.8 | -73.8 | 168.4 | 0 | 0 | 0 | 111.3 | I82 R87 N88 | I82-L85 PolarHBondContact O-N 3.09Å; L85-R87 VanDerWaalsContact C-N 3.29Å; L85-R87 PolarHBondContact O-N 3.45Å; L85-N88 PolarHBondContact O-N 3.19Å |
| 86 | Y | 55.3 | Low | 56.7 | Low | 182 Ų | 182 | 137.1 Ų | 137.1 | 71% | 0.714 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67.9 | -28.8 | -177.2 | -133.3 | -94.9 | 0 | 0 | 0 | 112.8 | I82 L83 N88 A89 W90 | I82-Y86 PolarHBondContact O-N 2.9Å; L83-Y86 PolarHBondContact O-N 3.39Å; Y86-N88 PolarHBondContact O-N 3.2Å; Y86-A89 PolarHBondContact O-N 2.84Å; Y86-W90 VanDerWaalsContact O-CD1 3.23Å |
| 87 | R | 56.5 | Low | 56.7 | Low | 175 Ų | 175 | 137.5 Ų | 137.5 | 66% | 0.66 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65.6 | -23.3 | -179.4 | -163.1 | 176.8 | -178.3 | -171.3 | 1.2 | 113.8 | L83 L85 W90 | L83-R87 PolarHBondContact O-N 3.08Å; L85-R87 VanDerWaalsContact C-N 3.29Å; L85-R87 PolarHBondContact O-N 3.45Å; R87-W90 HydrophobicContact CG-CZ2 4.27Å; R87-W90 VanDerWaalsContact O-CD1 3.29Å; R87-W90 PolarHBondContact O-NE1 2.95Å |
| 88 | N | 55.9 | Low | 57.3 | Low | 102 Ų | 102 | 141 Ų | 141 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -91.8 | -26.5 | -177.2 | -68.2 | -22.2 | 0 | 0 | 0 | 113.2 | L85 Y86 M91 | L85-N88 PolarHBondContact O-N 3.19Å; Y86-N88 PolarHBondContact O-N 3.2Å; N88-M91 PolarHBondContact O-N 3.38Å |
| 89 | A | 56.4 | Low | 57.4 | Low | 66 Ų | 66 | 142.1 Ų | 142.1 | 55% | 0.545 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -68.2 | -38.8 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y86 M91 V92 | Y86-A89 PolarHBondContact O-N 2.84Å; A89-M91 VanDerWaalsContact C-N 3.3Å; A89-M91 PolarHBondContact O-N 2.97Å; A89-V92 PolarHBondContact O-N 2.76Å |
| 90 | W | 56.9 | Low | 57.7 | Low | 158 Ų | 158 | 140.1 Ų | 140.1 | 60% | 0.598 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | -18.1 | 179.7 | 67.8 | -94.6 | 0 | 0 | 0 | 113.8 | Y86 R87 V92 | Y86-W90 VanDerWaalsContact O-CD1 3.23Å; R87-W90 HydrophobicContact CG-CZ2 4.27Å; R87-W90 VanDerWaalsContact O-CD1 3.29Å; R87-W90 PolarHBondContact O-NE1 2.95Å; W90-V92 PolarHBondContact O-N 2.98Å |
| 91 | M | 53.2 | Low | 58.2 | Low | 116 Ų | 116 | 140.6 Ų | 140.6 | 57% | 0.571 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.4 | -11.3 | 172.5 | -69.4 | -160.4 | -64.7 | 0 | 0 | 112.6 | N88 A89 Q93 | N88-M91 PolarHBondContact O-N 3.38Å; A89-M91 VanDerWaalsContact C-N 3.3Å; A89-M91 PolarHBondContact O-N 2.97Å; M91-Q93 PolarHBondContact O-N 3.21Å; M91-Q93 VanDerWaalsContact O-N 3.09Å |
| 92 | V | 58.4 | Low | 58.5 | Low | 114 Ų | 114 | 145 Ų | 145 | 69% | 0.691 | 70% | 0.701 | S | S | * | * | | | trans | -85.5 | 66 | 168.3 | -167.3 | 0 | 0 | 0 | 0 | 107.9 | A89 W90 P94 | A89-V92 PolarHBondContact O-N 2.76Å; W90-V92 PolarHBondContact O-N 2.98Å; V92-P94 VanDerWaalsContact O-CD 3.27Å; V92-P94 WeakPolarHBondContact O-CD 3.27Å |
| 93 | Q | 57.9 | Low | 59 | Low | 145 Ų | 145 | 144.4 Ų | 144.4 | 68% | 0.678 | 71% | 0.706 | S | S | * | * | | | trans | -70.6 | 116.8 | 158.8 | -77.7 | -117 | -21.2 | 0 | 0 | 106.1 | M91 F95 | M91-Q93 PolarHBondContact O-N 3.21Å; M91-Q93 VanDerWaalsContact O-N 3.09Å; Q93-F95 PolarHBondContact O-N 2.84Å |
| 94 | P | 57.5 | Low | 59.5 | Low | 91 Ų | 91 | 147.3 Ų | 147.3 | 59% | 0.591 | 72% | 0.716 | S | S | * | * | | | trans | -59.5 | 113.5 | 162.9 | 26 | -29.2 | 0 | 0 | 0 | 104.7 | V92 H96 | V92-P94 VanDerWaalsContact O-CD 3.27Å; V92-P94 WeakPolarHBondContact O-CD 3.27Å; P94-H96 PolarHBondContact O-N 3.07Å |
| 95 | F | 57.1 | Low | 59.8 | Low | 191 Ų | 191 | 144.3 Ų | 144.3 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | | | trans | -57.9 | 97.3 | 164.7 | -62.9 | -86.9 | 0 | 0 | 0 | 104.7 | Q93 E97 | Q93-F95 PolarHBondContact O-N 2.84Å; F95-E97 PolarHBondContact O-N 2.81Å |
| 96 | H | 58.6 | Low | 60.2 | Low | 166 Ų | 166 | 146 Ų | 146 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | | | trans | -62.5 | 96.3 | 159.4 | -85.6 | -54.8 | 0 | 0 | 0 | 103.5 | P94 K98 | P94-H96 PolarHBondContact O-N 3.07Å; H96-K98 PolarHBondContact O-N 3.36Å |
| 97 | E | 60.2 | Low | 60.5 | Low | 182 Ų | 182 | 144.6 Ų | 144.6 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | | | trans | -49.3 | 98 | 158.2 | -75.4 | -176.2 | 152.7 | 0 | 0 | 104.8 | F95 E99 | F95-E97 PolarHBondContact O-N 2.81Å; E97-E99 VanDerWaalsContact C-N 3.33Å; E97-E99 PolarHBondContact O-N 3.3Å |
| 98 | K | 63.1 | Low | 61 | Low | 193 Ų | 193 | 144.2 Ų | 144.2 | 84% | 0.839 | 73% | 0.733 | S | S | * | * | | | trans | -60.4 | 111.1 | 165.7 | -72.4 | -163.8 | 175.5 | -171.1 | 0 | 103.1 | H96 G100 | H96-K98 PolarHBondContact O-N 3.36Å; K98-G100 PolarHBondContact O-N 2.94Å |
| 99 | E | 61 | Low | 61.2 | Low | 179 Ų | 179 | 145.6 Ų | 145.6 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | | | trans | -36.4 | 114.8 | 170.9 | -71.4 | 179.9 | 150.2 | 0 | 0 | 106.9 | E97 | E97-E99 VanDerWaalsContact C-N 3.33Å; E97-E99 PolarHBondContact O-N 3.3Å |
| 100 | G | 63.5 | Low | 61.5 | Low | 54 Ų | 54 | 147.7 Ų | 147.7 | 56% | 0.557 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 154.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | K98 R102 | K98-G100 PolarHBondContact O-N 2.94Å; G100-R102 PolarHBondContact O-N 2.97Å |
| 101 | P | 65.3 | Low | 61.5 | Low | 134 Ų | 134 | 145.3 Ų | 145.3 | 87% | 0.87 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 119.3 | -179 | 19.5 | -31 | 0 | 0 | 0 | 109.1 | | |
| 102 | R | 62.6 | Low | 62 | Low | 216 Ų | 216 | 148.7 Ų | 148.7 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 137.4 | 175.4 | -93.2 | -176 | 175.2 | -172.3 | -1.1 | 107.7 | G100 E104 | G100-R102 PolarHBondContact O-N 2.97Å; R102-E104 PolarHBondContact O-N 3.03Å; R102-E104 VanDerWaalsContact O-N 3.17Å |
| 103 | P | 67.5 | Low | 62.1 | Low | 115 Ų | 115 | 149.7 Ų | 149.7 | 75% | 0.747 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 127.2 | 177.7 | 22.5 | -31.7 | 0 | 0 | 0 | 108.5 | T105 | P103-T105 PolarHBondContact O-N 3.17Š|
| 104 | E | 66.7 | Low | 62.1 | Low | 188 Ų | 188 | 147.6 Ų | 147.6 | 88% | 0.879 | 78% | 0.776 | S | S | * | * | | | trans | -53.2 | 113.4 | 171.9 | -65.5 | 177.6 | 171.6 | 0 | 0 | 106.6 | R102 E106 | R102-E104 PolarHBondContact O-N 3.03Å; R102-E104 VanDerWaalsContact O-N 3.17Å; E104-E106 PolarHBondContact O-N 2.89Å |
| 105 | T | 64.6 | Low | 62.2 | Low | 123 Ų | 123 | 148.8 Ų | 148.8 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | | | trans | -62.9 | 119.6 | 171.8 | 45.3 | 0 | 0 | 0 | 0 | 106.3 | P103 D107 | P103-T105 PolarHBondContact O-N 3.17Å; T105-D107 PolarHBondContact O-N 3.09Å |
| 106 | E | 67.1 | Low | 61.9 | Low | 176 Ų | 176 | 143.1 Ų | 143.1 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | | | trans | -50.4 | 107.2 | 174.4 | -63.5 | 176.7 | 175 | 0 | 0 | 108.1 | E104 E108 | E104-E106 PolarHBondContact O-N 2.89Å; E106-E108 PolarHBondContact O-N 3.19Å |
| 107 | D | 60.9 | Low | 61.4 | Low | 152 Ų | 152 | 149 Ų | 149 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -67 | 92.5 | 170.6 | -104.9 | -22.7 | 0 | 0 | 0 | 106.1 | T105 N109 | T105-D107 PolarHBondContact O-N 3.09Å; D107-N109 PolarHBondContact O-N 3.48Å |
| 108 | E | 65.9 | Low | 61.4 | Low | 167 Ų | 167 | 147.3 Ų | 147.3 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | -65.8 | 69.1 | 166.4 | -69.3 | -174 | 166.5 | 0 | 0 | 108.8 | E106 C110 | E106-E108 PolarHBondContact O-N 3.19Å; E108-C110 VanDerWaalsContact C-N 3.32Å; E108-C110 PolarHBondContact O-N 2.9Å; E108-C110 VanDerWaalsContact O-N 3.09Å |
| 109 | N | 60.8 | Low | 61.4 | Low | 131 Ų | 131 | 144.9 Ų | 144.9 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | | | trans | -83.8 | 86.1 | 171.1 | -149.8 | -27.1 | 0 | 0 | 0 | 108.8 | D107 T111 | D107-N109 PolarHBondContact O-N 3.48Å; N109-T111 PolarHBondContact O-N 2.92Å |
| 110 | C | 62.1 | Low | 61.4 | Low | 111 Ų | 111 | 143 Ų | 143 | 75% | 0.75 | 80% | 0.8 | S | S | * | * | | | trans | -52.5 | 96.8 | 169.3 | -57.3 | 0 | 0 | 0 | 0 | 110.2 | E108 E112 | E108-C110 VanDerWaalsContact C-N 3.32Å; E108-C110 PolarHBondContact O-N 2.9Å; E108-C110 VanDerWaalsContact O-N 3.09Å; C110-E112 PolarHBondContact O-N 2.77Å |
| 111 | T | 57.4 | Low | 61.3 | Low | 107 Ų | 107 | 148.2 Ų | 148.2 | 66% | 0.656 | 81% | 0.814 | S | S | * | * | | | trans | -98.9 | 85.1 | 164.7 | 29.4 | 0 | 0 | 0 | 0 | 108.7 | N109 N113 | N109-T111 PolarHBondContact O-N 2.92Å; T111-N113 PolarHBondContact O-N 3.06Å |
| 112 | E | 63.6 | Low | 61 | Low | 187 Ų | 187 | 149.1 Ų | 149.1 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | | | trans | -58.5 | 77.8 | 160.7 | -173.4 | 178.3 | -167 | 0 | 0 | 108.9 | C110 A114 | C110-E112 PolarHBondContact O-N 2.77Å; E112-A114 VanDerWaalsContact C-N 3.33Å; E112-A114 PolarHBondContact O-N 2.84Å |
| 113 | N | 61.8 | Low | 60.9 | Low | 136 Ų | 136 | 144.7 Ų | 144.7 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -79.3 | 92.6 | 169.8 | -77.8 | -30.3 | 0 | 0 | 0 | 108.2 | T111 S115 | T111-N113 PolarHBondContact O-N 3.06Å; N113-S115 PolarHBondContact O-N 2.99Å |
| 114 | A | 56.9 | Low | 60.4 | Low | 100 Ų | 100 | 146.8 Ų | 146.8 | 83% | 0.826 | 82% | 0.815 | S | S | * | * | | | trans | -56.3 | 93.8 | 161.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | E112 | E112-A114 VanDerWaalsContact C-N 3.33Å; E112-A114 PolarHBondContact O-N 2.84Å |
| 115 | S | 58.6 | Low | 59.9 | Low | 116 Ų | 116 | 143.6 Ų | 143.6 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | | | trans | -108.3 | 100.6 | 153.8 | 45.6 | 0 | 0 | 0 | 0 | 105.9 | N113 | N113-S115 PolarHBondContact O-N 2.99Š|
| 116 | G | 52 | Low | 59.5 | Low | 72 Ų | 72 | 145.3 Ų | 145.3 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | | | | 105.5 | 102 | 60.9 | 0 | 0 | 0 | 0 | 0 | 105.3 | | |
| 117 | F | 47.6 | Very low | 58.9 | Low | 289 Ų | 289 | 142.5 Ų | 142.5 | 100% | 1.268 | 81% | 0.814 | S | S | * | * | | | trans | -34.6 | 0 | -175.9 | -98.1 | -98.9 | 0 | 0 | 0 | 116.7 | | |