| 1 | P | 38.6 | Very low | 46 | Very low | 185 Ų | 185 | 159.5 Ų | 159.5 | 100% | 1.201 | 84% | 0.842 | S | S | * | * | | | | 0 | 135.4 | 0 | 23.3 | -3.2 | 0 | 0 | 0 | 111 | | |
| 2 | R | 38.9 | Very low | 46 | Very low | 220 Ų | 220 | 164.7 Ų | 164.7 | 83% | 0.83 | 85% | 0.852 | S | S | * | * | | | cis | -170.9 | 117.5 | -10.6 | -175.3 | 174.8 | -170.4 | 179.6 | 3.1 | 103.9 | | |
| 3 | I | 42 | Very low | 46.4 | Very low | 147 Ų | 147 | 163.6 Ų | 163.6 | 75% | 0.754 | 85% | 0.849 | S | S | * | * | | | trans | 66.6 | 128.3 | 149.3 | -49.6 | 170.1 | 0 | 0 | 0 | 120.3 | | |
| 4 | R | 45.8 | Very low | 47.1 | Very low | 212 Ų | 212 | 159.5 Ų | 159.5 | 80% | 0.8 | 84% | 0.841 | S | S | * | * | | | trans | -71.9 | 160.5 | 168 | -60 | 176 | -173.5 | -170.8 | 0.8 | 111.6 | | |
| 5 | H | 42.4 | Very low | 47.4 | Very low | 175 Ų | 175 | 155.9 Ų | 155.9 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | | | | 157.3 | 126.4 | 120.7 | -80.4 | -65.8 | 0 | 0 | 0 | 110.5 | | |
| 6 | E | 49.3 | Very low | 47.5 | Very low | 194 Ų | 194 | 158.8 Ų | 158.8 | 91% | 0.907 | 83% | 0.833 | S | S | * | * | | | trans | -59.1 | 155.2 | 162.7 | -66.8 | -179.2 | 131 | 0 | 0 | 111.7 | | |
| 7 | A | 44.2 | Very low | 47.3 | Very low | 102 Ų | 102 | 161.5 Ų | 161.5 | 84% | 0.843 | 84% | 0.837 | S | S | * | * | | | trans | -142.8 | 110.3 | 151.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 8 | K | 45 | Very low | 47.5 | Very low | 197 Ų | 197 | 157.9 Ų | 157.9 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | | | trans | -74.7 | 179.2 | 143.6 | -76.1 | -168.8 | 175 | -179.3 | 0 | 108.4 | | |
| 9 | P | 50.3 | Low | 47.9 | Very low | 117 Ų | 117 | 153.3 Ų | 153.3 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | | | cis | -138 | 166.2 | -4.9 | 27.4 | -3.1 | 0 | 0 | 0 | 116.8 | | |
| 10 | A | 51.9 | Low | 48.3 | Very low | 93 Ų | 93 | 152.2 Ų | 152.2 | 77% | 0.769 | 83% | 0.827 | S | S | * | * | | | trans | 62.6 | -173.3 | 135.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 11 | P | 57.8 | Low | 48.9 | Very low | 113 Ų | 113 | 150.6 Ų | 150.6 | 73% | 0.734 | 82% | 0.824 | S | S | * | * | | | | -118.6 | 155.2 | -100.1 | 34.4 | -16.7 | 0 | 0 | 0 | 112.6 | | |
| 12 | K | 46.2 | Very low | 50.4 | Low | 221 Ų | 221 | 146.3 Ų | 146.3 | 96% | 0.961 | 81% | 0.805 | S | S | * | * | | | trans | -127.3 | 81.9 | 159.8 | -81.6 | -176.8 | 178.9 | 172.7 | 0 | 110.4 | | |
| 13 | N | 51.3 | Low | 51.9 | Low | 151 Ų | 151 | 140 Ų | 140 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | trans | -71.7 | 131.7 | 153 | -174.4 | 12.7 | 0 | 0 | 0 | 108.3 | | |
| 14 | S | 55.3 | Low | 53.6 | Low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | | | trans | 171.1 | 164 | 141 | 63.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 15 | P | 51.4 | Low | 55.3 | Low | 105 Ų | 105 | 133.7 Ų | 133.7 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | | | | -129.8 | 156.2 | -91.9 | 23.8 | -0.5 | 0 | 0 | 0 | 114.3 | | |
| 16 | K | 49.8 | Very low | 57.3 | Low | 202 Ų | 202 | 130.8 Ų | 130.8 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | | | trans | 41.3 | 121.2 | 148.6 | -61.1 | 179.7 | 179.2 | -179.5 | 0 | 119 | | |
| 17 | K | 43.9 | Very low | 59 | Low | 206 Ų | 206 | 126.9 Ų | 126.9 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | | | | -137 | 107.6 | 121.3 | -145.3 | 173.9 | -174.7 | -179.4 | 0 | 110.7 | | |
| 18 | A | 51.7 | Low | 60.9 | Low | 96 Ų | 96 | 127.4 Ų | 127.4 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | | | trans | -64.9 | 152.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 19 | G | 53.4 | Low | 62.8 | Low | 70 Ų | 70 | 123.1 Ų | 123.1 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | 95.2 | 108.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 20 | V | 56.3 | Low | 64.4 | Low | 131 Ų | 131 | 123.5 Ų | 123.5 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | cis | -151.4 | 152 | 33.9 | -148.5 | 0 | 0 | 0 | 0 | 104.6 | A22 | V20-A22 PolarHBondContact O-N 2.95Š|
| 21 | P | 60.9 | Low | 65.8 | Low | 119 Ų | 119 | 126.9 Ų | 126.9 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 125.3 | 164.2 | 19.6 | -31.1 | 0 | 0 | 0 | 107.8 | A23 | P21-A23 PolarHBondContact O-N 3.04Š|
| 22 | A | 69.6 | Low | 66.9 | Low | 96 Ų | 96 | 125.5 Ų | 125.5 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53 | 116.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | V20 | V20-A22 PolarHBondContact O-N 2.95Š|
| 23 | A | 71.3 | Confident | 68.5 | Low | 86 Ų | 86 | 120.3 Ų | 120.3 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 136.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | P21 | P21-A23 PolarHBondContact O-N 3.04Š|
| 24 | P | 78.1 | Confident | 69.6 | Low | 113 Ų | 113 | 118.6 Ų | 118.6 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 144.2 | 175.6 | 23.8 | -32.9 | 0 | 0 | 0 | 108.4 | | |
| 25 | P | 81.9 | Confident | 70.6 | Confident | 114 Ų | 114 | 121.1 Ų | 121.1 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -51 | 141.2 | 176.6 | 23.2 | -33.3 | 0 | 0 | 0 | 108.8 | | |
| 26 | P | 83.3 | Confident | 71.8 | Confident | 114 Ų | 114 | 120.5 Ų | 120.5 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 139.5 | 178.3 | 23.7 | -32.9 | 0 | 0 | 0 | 108.7 | | |
| 27 | P | 84.4 | Confident | 72.9 | Confident | 113 Ų | 113 | 116.4 Ų | 116.4 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 142 | 176.7 | 24.6 | -32.8 | 0 | 0 | 0 | 108.8 | | |
| 28 | P | 84.6 | Confident | 74.2 | Confident | 112 Ų | 112 | 112.6 Ų | 112.6 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 146.4 | 174.3 | 24.4 | -33 | 0 | 0 | 0 | 109.4 | | |
| 29 | P | 85.1 | Confident | 75 | Confident | 107 Ų | 107 | 112.9 Ų | 112.9 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 147.9 | 174.9 | 24.9 | -33.2 | 0 | 0 | 0 | 109.7 | L31 | P29-L31 PolarHBondContact O-N 3.43Š|
| 30 | P | 83.5 | Confident | 75.8 | Confident | 125 Ų | 125 | 115.4 Ų | 115.4 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 130.5 | 177.2 | 23.7 | -32.1 | 0 | 0 | 0 | 109.3 | A32 | P30-A32 PolarHBondContact O-N 3.26Š|
| 31 | L | 82.3 | Confident | 76.6 | Confident | 165 Ų | 165 | 117 Ų | 117 | 86% | 0.864 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 135.3 | 175.6 | -60.5 | 178.1 | 0 | 0 | 0 | 108.8 | P29 | P29-L31 PolarHBondContact O-N 3.43Š|
| 32 | A | 80.6 | Confident | 77 | Confident | 83 Ų | 83 | 117 Ų | 117 | 69% | 0.686 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 147.7 | 177 | 0 | 0 | 0 | 0 | 0 | 110.4 | P30 | P30-A32 PolarHBondContact O-N 3.26Š|
| 33 | P | 79 | Confident | 77 | Confident | 112 Ų | 112 | 116.8 Ų | 116.8 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 141.8 | 176.9 | -25.9 | 34.3 | 0 | 0 | 0 | 111.6 | L35 | P33-L35 PolarHBondContact O-N 3.05Š|
| 34 | P | 75.4 | Confident | 76.7 | Confident | 116 Ų | 116 | 119.1 Ų | 119.1 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 131.2 | 179 | -23.8 | 33 | 0 | 0 | 0 | 111.2 | I36 | P34-I36 PolarHBondContact O-N 3.31Š|
| 35 | L | 75.5 | Confident | 76.2 | Confident | 158 Ų | 158 | 117.5 Ų | 117.5 | 83% | 0.827 | 69% | 0.685 | S | S | * | * | | | trans | -68.2 | 105.3 | 171.3 | -66.9 | -177.8 | 0 | 0 | 0 | 109 | P33 M37 | P33-L35 PolarHBondContact O-N 3.05Å; L35-M37 PolarHBondContact O-N 3.04Å |
| 36 | I | 76.6 | Confident | 75.5 | Confident | 93 Ų | 93 | 116.2 Ų | 116.2 | 48% | 0.477 | 68% | 0.677 | S | S | . | * | | | trans | -81.9 | 86.1 | 178.1 | -45.6 | 178 | 0 | 0 | 0 | 108.8 | P34 E38 N39 | P34-I36 PolarHBondContact O-N 3.31Å; I36-E38 HydrophobicContact CG2-CG 3.6Å; I36-E38 WeakPolarHBondContact CG2-OE1 3.3Å; I36-E38 PolarHBondContact O-N 3.1Å; I36-E38 VanDerWaalsContact O-N 3.13Å; I36-N39 PolarHBondContact O-N 3.42Å |
| 37 | M | 73.8 | Confident | 74.3 | Confident | 115 Ų | 115 | 113.7 Ų | 113.7 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -58.5 | -25.5 | -176.3 | -162.1 | 102.6 | -64.3 | 0 | 0 | 113.3 | L35 L40 K41 | L35-M37 PolarHBondContact O-N 3.04Å; M37-L40 HydrophobicContact CE-CD2 4.02Å; M37-L40 VanDerWaalsContact O-CB 3.3Å; M37-L40 WeakPolarHBondContact O-CB 3.05Å; M37-L40 PolarHBondContact O-N 3.45Å; M37-K41 PolarHBondContact O-N 3.28Å |
| 38 | E | 70.6 | Confident | 73.2 | Confident | 126 Ų | 126 | 114.8 Ų | 114.8 | 59% | 0.589 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.7 | -36.4 | -178.6 | 78.3 | -152.7 | 155.4 | 0 | 0 | 113 | I36 L40 K41 N42 | I36-E38 HydrophobicContact CG2-CG 3.6Å; I36-E38 WeakPolarHBondContact CG2-OE1 3.3Å; I36-E38 PolarHBondContact O-N 3.1Å; I36-E38 VanDerWaalsContact O-N 3.13Å; E38-L40 PolarHBondContact O-N 3.31Å; E38-K41 PolarHBondContact O-N 3.19Å; E38-K41 VanDerWaalsContact O-N 3.1Å; E38-N42 PolarHBondContact O-N 3.09Å; E38-N42 VanDerWaalsContact O-N 3.09Å; E38-N42 PolarHBondContact O-ND2 3.13Å |
| 39 | N | 68.4 | Low | 72 | Confident | 103 Ų | 103 | 116.9 Ų | 116.9 | 55% | 0.551 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -65.1 | -29.1 | 174.9 | -80.1 | -36.3 | 0 | 0 | 0 | 111.9 | I36 K41 N42 | I36-N39 PolarHBondContact O-N 3.42Å; N39-K41 VanDerWaalsContact C-N 3.34Å; N39-N42 PolarHBondContact O-N 3.27Å |
| 40 | L | 71.1 | Confident | 71.2 | Confident | 122 Ų | 122 | 119.5 Ų | 119.5 | 64% | 0.639 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.3 | -37.5 | 175 | -142.1 | 71.9 | 0 | 0 | 0 | 111.5 | M37 E38 S43 | M37-L40 HydrophobicContact CE-CD2 4.02Å; M37-L40 VanDerWaalsContact O-CB 3.3Å; M37-L40 WeakPolarHBondContact O-CB 3.05Å; M37-L40 PolarHBondContact O-N 3.45Å; E38-L40 PolarHBondContact O-N 3.31Å; L40-S43 WeakPolarHBondContact O-CB 3.49Å; L40-S43 PolarHBondContact O-OG 3.38Å |
| 41 | K | 73.4 | Confident | 70.3 | Confident | 165 Ų | 165 | 123.6 Ų | 123.6 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -75.5 | -28.4 | 179.7 | -62.5 | 173.5 | 74.2 | -176.9 | 0 | 112.5 | M37 E38 N39 S43 | M37-K41 PolarHBondContact O-N 3.28Å; E38-K41 PolarHBondContact O-N 3.19Å; E38-K41 VanDerWaalsContact O-N 3.1Å; N39-K41 VanDerWaalsContact C-N 3.34Å; K41-S43 VanDerWaalsContact C-N 3.25Å; K41-S43 PolarHBondContact O-N 3.49Å |
| 42 | N | 69 | Low | 69.3 | Low | 120 Ų | 120 | 124.3 Ų | 124.3 | 64% | 0.642 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | 4.4 | -179.9 | -61.8 | -23.1 | 0 | 0 | 0 | 113.6 | E38 N39 L44 | E38-N42 PolarHBondContact O-N 3.09Å; E38-N42 VanDerWaalsContact O-N 3.09Å; E38-N42 PolarHBondContact O-ND2 3.13Å; N39-N42 PolarHBondContact O-N 3.27Å; N42-L44 VanDerWaalsContact C-N 3.3Å; N42-L44 PolarHBondContact O-N 2.76Å |
| 43 | S | 68.1 | Low | 68.4 | Low | 90 Ų | 90 | 122.9 Ų | 122.9 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -9 | -177 | 63.2 | 0 | 0 | 0 | 0 | 115.2 | L40 K41 | L40-S43 WeakPolarHBondContact O-CB 3.49Å; L40-S43 PolarHBondContact O-OG 3.38Å; K41-S43 VanDerWaalsContact C-N 3.25Å; K41-S43 PolarHBondContact O-N 3.49Å |
| 44 | L | 66.6 | Low | 67.6 | Low | 135 Ų | 135 | 125.2 Ų | 125.2 | 71% | 0.707 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -90.7 | 118.3 | 179.2 | -68.5 | 171.4 | 0 | 0 | 0 | 111 | N42 | N42-L44 VanDerWaalsContact C-N 3.3Å; N42-L44 PolarHBondContact O-N 2.76Å |
| 45 | S | 66.3 | Low | 67 | Low | 80 Ų | 80 | 128.1 Ų | 128.1 | 56% | 0.559 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 147.1 | 171.2 | -49.7 | 0 | 0 | 0 | 0 | 111.5 | A47 | S45-A47 PolarHBondContact O-N 3.39Š|
| 46 | P | 67.4 | Low | 66.3 | Low | 87 Ų | 87 | 126.8 Ų | 126.8 | 57% | 0.565 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 136.9 | -178.6 | -28.2 | 34.7 | 0 | 0 | 0 | 112.7 | T48 Q49 | P46-T48 PolarHBondContact O-N 3.41Å; P46-Q49 PolarHBondContact O-N 2.96Å |
| 47 | A | 59 | Low | 65.5 | Low | 60 Ų | 60 | 127.8 Ų | 127.8 | 50% | 0.496 | 68% | 0.676 | S | S | . | * | G | 310 helix | trans | -55.3 | -24.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S45 Q49 R50 | S45-A47 PolarHBondContact O-N 3.39Å; A47-Q49 PolarHBondContact O-N 3.43Å; A47-R50 WeakPolarHBondContact O-CB 3.44Å; A47-R50 WeakPolarHBondContact O-CG 3.4Å; A47-R50 PolarHBondContact O-N 2.97Å |
| 48 | T | 61.3 | Low | 64.8 | Low | 137 Ų | 137 | 127.9 Ų | 127.9 | 84% | 0.84 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -69.7 | -15.7 | 178.4 | 53.6 | 0 | 0 | 0 | 0 | 114 | P46 | P46-T48 PolarHBondContact O-N 3.41Š|
| 49 | Q | 59.9 | Low | 64.5 | Low | 156 Ų | 156 | 126.5 Ų | 126.5 | 73% | 0.729 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -95.2 | -0.2 | 177.4 | -137.8 | 170.5 | -81 | 0 | 0 | 112.9 | P46 A47 K51 | P46-Q49 PolarHBondContact O-N 2.96Å; A47-Q49 PolarHBondContact O-N 3.43Å; Q49-K51 PolarHBondContact O-N 3.32Å |
| 50 | R | 66.4 | Low | 64.2 | Low | 161 Ų | 161 | 130.4 Ų | 130.4 | 61% | 0.608 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -74.5 | 114.7 | 175.1 | -60.8 | 179 | -167.3 | 149.1 | 4.7 | 108.5 | A47 M52 | A47-R50 WeakPolarHBondContact O-CB 3.44Å; A47-R50 WeakPolarHBondContact O-CG 3.4Å; A47-R50 PolarHBondContact O-N 2.97Å; R50-M52 PolarHBondContact O-N 3.36Å |
| 51 | K | 65.8 | Low | 63.5 | Low | 212 Ų | 212 | 133.1 Ų | 133.1 | 92% | 0.922 | 72% | 0.72 | S | S | * | * | | | trans | -61.4 | 100.3 | 168.1 | -104.4 | -175.3 | 177.2 | -81 | 0 | 108.8 | Q49 G53 | Q49-K51 PolarHBondContact O-N 3.32Å; K51-G53 VanDerWaalsContact C-N 3.25Å; K51-G53 PolarHBondContact O-N 3.29Å |
| 52 | M | 62.1 | Low | 63.2 | Low | 180 Ų | 180 | 133.8 Ų | 133.8 | 89% | 0.887 | 72% | 0.723 | S | S | * | * | | | trans | -71.9 | 89.4 | 159.6 | -63.8 | -161.8 | -61.9 | 0 | 0 | 106.7 | R50 D54 | R50-M52 PolarHBondContact O-N 3.36Å; M52-D54 PolarHBondContact O-N 2.92Å |
| 53 | G | 60.4 | Low | 63.8 | Low | 52 Ų | 52 | 130.9 Ų | 130.9 | 54% | 0.536 | 71% | 0.707 | S | S | . | * | | | trans | -68 | 116.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | K51 K55 | K51-G53 VanDerWaalsContact C-N 3.25Å; K51-G53 PolarHBondContact O-N 3.29Å; G53-K55 PolarHBondContact O-N 3.02Å |
| 54 | D | 62.8 | Low | 64.8 | Low | 162 Ų | 162 | 131.1 Ų | 131.1 | 87% | 0.866 | 71% | 0.709 | S | S | * | * | | | trans | -54.6 | 106.2 | 168.6 | -101.4 | -37.9 | 0 | 0 | 0 | 108.9 | M52 | M52-D54 PolarHBondContact O-N 2.92Š|
| 55 | K | 61.6 | Low | 66.1 | Low | 176 Ų | 176 | 132.3 Ų | 132.3 | 77% | 0.765 | 70% | 0.704 | S | S | * | * | | | trans | -104.1 | 81.7 | 171.4 | -64.3 | -173.5 | -169.5 | -69.1 | 0 | 107.4 | G53 L57 | G53-K55 PolarHBondContact O-N 3.02Å; K55-L57 PolarHBondContact O-N 3.05Å |
| 56 | V | 61.6 | Low | 67.3 | Low | 131 Ų | 131 | 132.5 Ų | 132.5 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | | | trans | -75.3 | 113.2 | 159.5 | -175.6 | 0 | 0 | 0 | 0 | 106.2 | | |
| 57 | L | 60.2 | Low | 68.6 | Low | 114 Ų | 114 | 134.1 Ų | 134.1 | 60% | 0.597 | 70% | 0.699 | S | S | * | * | | | trans | -104.3 | 135 | 177.7 | -69.2 | 179.9 | 0 | 0 | 0 | 110.4 | K55 | K55-L57 PolarHBondContact O-N 3.05Š|
| 58 | P | 57.9 | Low | 70.3 | Confident | 117 Ų | 117 | 136.3 Ų | 136.3 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | | | trans | -66.3 | 138.2 | 174.7 | 26.5 | -31.3 | 0 | 0 | 0 | 110.5 | | |
| 59 | A | 65.4 | Low | 72 | Confident | 96 Ų | 96 | 132.7 Ų | 132.7 | 79% | 0.793 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -68.6 | 151.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 60 | Q | 61 | Low | 73.7 | Confident | 185 Ų | 185 | 127.3 Ų | 127.3 | 86% | 0.864 | 66% | 0.659 | S | S | * | * | | | trans | 85.7 | 55.8 | 158.4 | -154.8 | -171.2 | -43.7 | 0 | 0 | 117.7 | | |
| 61 | E | 57.8 | Low | 75.1 | Confident | 180 Ų | 180 | 122.3 Ų | 122.3 | 84% | 0.841 | 65% | 0.652 | S | S | * | * | S | Bend | | -134.8 | 150.2 | 126.8 | -66.9 | -174.2 | 132.9 | 0 | 0 | 104.5 | N63 | E61-N63 WeakPolarHBondContact O-CA 3.41Å; E61-N63 PolarHBondContact O-N 3.08Å |
| 62 | K | 67.1 | Low | 76.5 | Confident | 179 Ų | 179 | 117.1 Ų | 117.1 | 78% | 0.778 | 63% | 0.633 | S | S | * | * | | | trans | -58.6 | 95.6 | 175.6 | -71.1 | -84.9 | 179.6 | 168.2 | 0 | 106.9 | Q67 | K62-Q67 HydrophobicContact CB-CG 4.18Å; K62-Q67 PolarHBondContact O-NE2 2.98Å |
| 63 | N | 81.6 | Confident | 78.1 | Confident | 58 Ų | 58 | 117 Ų | 117 | 31% | 0.31 | 62% | 0.623 | S | S | . | * | | | trans | -60.5 | 143.7 | -164.6 | -175.7 | -66.4 | 0 | 0 | 0 | 107.4 | E61 R65 D66 Q67 | E61-N63 WeakPolarHBondContact O-CA 3.41Å; E61-N63 PolarHBondContact O-N 3.08Å; N63-R65 CarbonylContact O-C 3.54Å; N63-R65 PolarHBondContact O-N 3.27Å; N63-R65 WeakPolarHBondContact OD1-CB 3.13Å; N63-R65 PolarHBondContact OD1-N 3.07Å; N63-D66 WeakPolarHBondContact O-CA 3.48Å; N63-D66 PolarHBondContact O-N 2.78Å; N63-Q67 PolarHBondContact O-N 2.82Å |
| 64 | S | 89 | Confident | 79.9 | Confident | 96 Ų | 96 | 118.6 Ų | 118.6 | 67% | 0.671 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -51.3 | -32.6 | 176.5 | 56.3 | 0 | 0 | 0 | 0 | 111.5 | L68 | S64-L68 WeakPolarHBondContact O-CB 3.03Å; S64-L68 PolarHBondContact O-N 2.84Å |
| 65 | R | 93.1 | Very high | 81.5 | Confident | 160 Ų | 160 | 113.7 Ų | 113.7 | 60% | 0.604 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58 | -52.6 | 168.6 | -176.9 | -176 | 172.5 | 83.7 | 0.8 | 112.5 | N63 L68 L69 | N63-R65 CarbonylContact O-C 3.54Å; N63-R65 PolarHBondContact O-N 3.27Å; N63-R65 WeakPolarHBondContact OD1-CB 3.13Å; N63-R65 PolarHBondContact OD1-N 3.07Å; R65-L68 WeakPolarHBondContact O-CB 3.48Å; R65-L68 PolarHBondContact O-N 3.28Å; R65-L69 HydrophobicContact CG-CD1 3.95Å; R65-L69 HydrophobicContact CG-CG 4.33Å; R65-L69 WeakPolarHBondContact O-CB 3.2Å; R65-L69 WeakPolarHBondContact O-CG 3.38Å; R65-L69 PolarHBondContact O-N 3.27Å |
| 66 | D | 92.1 | Very high | 83.2 | Confident | 83 Ų | 83 | 108.9 Ų | 108.9 | 44% | 0.444 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -69.4 | -35.4 | -176.7 | -69.7 | -23.2 | 0 | 0 | 0 | 112.2 | N63 L69 A70 | N63-D66 WeakPolarHBondContact O-CA 3.48Å; N63-D66 PolarHBondContact O-N 2.78Å; D66-L69 PolarHBondContact O-N 3.03Å; D66-A70 VanDerWaalsContact O-CB 3.27Å; D66-A70 WeakPolarHBondContact O-CB 3.48Å; D66-A70 PolarHBondContact O-N 2.79Å |
| 67 | Q | 94.3 | Very high | 84.8 | Confident | 121 Ų | 121 | 109.5 Ų | 109.5 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.1 | -46.2 | 171.3 | -67.4 | -174.2 | 66 | 0 | 0 | 110.9 | K62 N63 A70 A71 | K62-Q67 HydrophobicContact CB-CG 4.18Å; K62-Q67 PolarHBondContact O-NE2 2.98Å; N63-Q67 PolarHBondContact O-N 2.82Å; Q67-A70 PolarHBondContact O-N 3.3Å; Q67-A71 WeakPolarHBondContact O-CB 3.5Å; Q67-A71 PolarHBondContact O-N 3.03Å |
| 68 | L | 95.7 | Very high | 86.5 | Confident | 107 Ų | 107 | 113.4 Ų | 113.4 | 56% | 0.56 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -61.4 | -46.6 | 175.2 | 177 | 61.8 | 0 | 0 | 0 | 111.4 | S64 R65 A70 A71 I72 | S64-L68 WeakPolarHBondContact O-CB 3.03Å; S64-L68 PolarHBondContact O-N 2.84Å; R65-L68 WeakPolarHBondContact O-CB 3.48Å; R65-L68 PolarHBondContact O-N 3.28Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 2.91Å; L68-A71 PolarHBondContact O-N 3.42Å; L68-I72 HydrophobicContact CD1-CD1 3.96Å; L68-I72 HydrophobicContact CD1-CG1 4.28Å; L68-I72 HydrophobicContact CG-CD1 3.93Å; L68-I72 VanDerWaalsContact O-CG1 3.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.06Å; L68-I72 PolarHBondContact O-N 2.8Å |
| 69 | L | 95.6 | Very high | 88.4 | Confident | 61 Ų | 61 | 113.7 Ų | 113.7 | 32% | 0.319 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.4 | -39.4 | 178.1 | -71.7 | 175.4 | 0 | 0 | 0 | 111.6 | R65 D66 R73 | R65-L69 HydrophobicContact CG-CD1 3.95Å; R65-L69 HydrophobicContact CG-CG 4.33Å; R65-L69 WeakPolarHBondContact O-CB 3.2Å; R65-L69 WeakPolarHBondContact O-CG 3.38Å; R65-L69 PolarHBondContact O-N 3.27Å; D66-L69 PolarHBondContact O-N 3.03Å; L69-R73 WeakPolarHBondContact O-CB 3.2Å; L69-R73 WeakPolarHBondContact O-CG 3.45Å; L69-R73 PolarHBondContact O-N 2.93Å |
| 70 | A | 95.3 | Very high | 89.8 | Confident | 43 Ų | 43 | 114.5 Ų | 114.5 | 36% | 0.355 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66 | -46.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | D66 Q67 L68 I72 R73 S74 | D66-A70 VanDerWaalsContact O-CB 3.27Å; D66-A70 WeakPolarHBondContact O-CB 3.48Å; D66-A70 PolarHBondContact O-N 2.79Å; Q67-A70 PolarHBondContact O-N 3.3Å; L68-A70 VanDerWaalsContact C-N 3.32Å; L68-A70 PolarHBondContact O-N 2.91Å; A70-I72 VanDerWaalsContact C-N 3.32Å; A70-I72 PolarHBondContact O-N 3.25Å; A70-R73 PolarHBondContact O-N 3.32Å; A70-S74 WeakPolarHBondContact O-CB 3.28Å; A70-S74 PolarHBondContact O-N 2.82Å; A70-S74 PolarHBondContact O-OG 2.88Å |
| 71 | A | 95.6 | Very high | 91.5 | Very high | 55 Ų | 55 | 115 Ų | 115 | 46% | 0.455 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.6 | -44 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q67 L68 S74 S75 | Q67-A71 WeakPolarHBondContact O-CB 3.5Å; Q67-A71 PolarHBondContact O-N 3.03Å; L68-A71 PolarHBondContact O-N 3.42Å; A71-S74 WeakPolarHBondContact CA-OG 3.38Å; A71-S74 PolarHBondContact O-N 3.42Å; A71-S74 PolarHBondContact O-OG 2.94Å; A71-S75 WeakPolarHBondContact O-CB 3.39Å; A71-S75 PolarHBondContact O-N 3.21Å |
| 72 | I | 96.1 | Very high | 93.3 | Very high | 104 Ų | 104 | 116.3 Ų | 116.3 | 53% | 0.533 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -61.9 | -49.4 | 175.1 | -67.7 | 165.8 | 0 | 0 | 0 | 111 | L68 A70 S74 S75 | L68-I72 HydrophobicContact CD1-CD1 3.96Å; L68-I72 HydrophobicContact CD1-CG1 4.28Å; L68-I72 HydrophobicContact CG-CD1 3.93Å; L68-I72 VanDerWaalsContact O-CG1 3.28Å; L68-I72 WeakPolarHBondContact O-CG1 3.06Å; L68-I72 PolarHBondContact O-N 2.8Å; A70-I72 VanDerWaalsContact C-N 3.32Å; A70-I72 PolarHBondContact O-N 3.25Å; I72-S74 PolarHBondContact O-N 3.01Å; I72-S75 PolarHBondContact O-N 3.4Å |
| 73 | R | 96.6 | Very high | 94.6 | Very high | 178 Ų | 178 | 113.3 Ų | 113.3 | 67% | 0.672 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.8 | -32.9 | 178.9 | -76.6 | -171.4 | -60.3 | -94.9 | -1 | 112.7 | L69 A70 | L69-R73 WeakPolarHBondContact O-CB 3.2Å; L69-R73 WeakPolarHBondContact O-CG 3.45Å; L69-R73 PolarHBondContact O-N 2.93Å; A70-R73 PolarHBondContact O-N 3.32Å |
| 74 | S | 96.8 | Very high | 95.1 | Very high | 84 Ų | 84 | 119 Ų | 119 | 59% | 0.587 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -83 | -10.2 | 177.2 | 66.7 | 0 | 0 | 0 | 0 | 114.2 | A70 A71 I72 | A70-S74 WeakPolarHBondContact O-CB 3.28Å; A70-S74 PolarHBondContact O-N 2.82Å; A70-S74 PolarHBondContact O-OG 2.88Å; A71-S74 WeakPolarHBondContact CA-OG 3.38Å; A71-S74 PolarHBondContact O-N 3.42Å; A71-S74 PolarHBondContact O-OG 2.94Å; I72-S74 PolarHBondContact O-N 3.01Å |
| 75 | S | 97.2 | Very high | 95.3 | Very high | 60 Ų | 60 | 120.4 Ų | 120.4 | 42% | 0.42 | 61% | 0.606 | S | S | . | * | | | trans | -87.8 | 154.2 | -175.5 | -170.2 | 0 | 0 | 0 | 0 | 112.6 | A71 I72 Q79 | A71-S75 WeakPolarHBondContact O-CB 3.39Å; A71-S75 PolarHBondContact O-N 3.21Å; I72-S75 PolarHBondContact O-N 3.4Å; S75-Q79 PolarHBondContact OG-OE1 3.06Å |
| 76 | N | 96.8 | Very high | 95.2 | Very high | 74 Ų | 74 | 116.9 Ų | 116.9 | 40% | 0.396 | 60% | 0.604 | S | S | . | * | | | trans | -153.9 | 168.5 | 174.4 | 76.8 | 87.6 | 0 | 0 | 0 | 112 | K78 Q79 | N76-K78 PolarHBondContact O-N 2.82Å; N76-K78 VanDerWaalsContact O-N 3.08Å; N76-K78 WeakPolarHBondContact OD1-CA 3.34Å; N76-K78 WeakPolarHBondContact OD1-CB 3.46Å; N76-K78 WeakPolarHBondContact OD1-CG 3.27Å; N76-K78 PolarHBondContact OD1-N 2.94Å; N76-Q79 VanDerWaalsContact N-OE1 3.15Å; N76-Q79 WeakPolarHBondContact O-CB 3.45Å; N76-Q79 PolarHBondContact O-N 3.41Å |
| 77 | L | 95.9 | Very high | 95.1 | Very high | 144 Ų | 144 | 123.2 Ų | 123.2 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -57.2 | -26 | -176.9 | -67.1 | 178.4 | 0 | 0 | 0 | 114.7 | Q79 L80 | L77-Q79 PolarHBondContact O-N 2.83Å; L77-L80 HydrophobicContact CD2-CD1 3.88Å; L77-L80 WeakPolarHBondContact O-CB 3.5Å; L77-L80 PolarHBondContact O-N 3.32Å; L77-L80 VanDerWaalsContact O-N 3.07Å |
| 78 | K | 95.9 | Very high | 94.8 | Very high | 196 Ų | 196 | 124.1 Ų | 124.1 | 85% | 0.852 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -67.7 | -19.3 | 179 | -56 | 171.8 | -177.6 | -179 | 0 | 112.9 | N76 L80 | N76-K78 PolarHBondContact O-N 2.82Å; N76-K78 VanDerWaalsContact O-N 3.08Å; N76-K78 WeakPolarHBondContact OD1-CA 3.34Å; N76-K78 WeakPolarHBondContact OD1-CB 3.46Å; N76-K78 WeakPolarHBondContact OD1-CG 3.27Å; N76-K78 PolarHBondContact OD1-N 2.94Å; K78-L80 VanDerWaalsContact C-N 3.31Å |
| 79 | Q | 97 | Very high | 94.2 | Very high | 123 Ų | 123 | 126.2 Ų | 126.2 | 58% | 0.575 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -83.5 | -10 | 175.1 | -63.8 | 173 | -43 | 0 | 0 | 112.4 | S75 N76 L77 | S75-Q79 PolarHBondContact OG-OE1 3.06Å; N76-Q79 VanDerWaalsContact N-OE1 3.15Å; N76-Q79 WeakPolarHBondContact O-CB 3.45Å; N76-Q79 PolarHBondContact O-N 3.41Å; L77-Q79 PolarHBondContact O-N 2.83Å |
| 80 | L | 95.6 | Very high | 93.4 | Very high | 114 Ų | 114 | 135.6 Ų | 135.6 | 60% | 0.597 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -88.9 | 146.3 | 176.5 | -56.4 | -177.4 | 0 | 0 | 0 | 110.3 | L77 K78 | L77-L80 HydrophobicContact CD2-CD1 3.88Å; L77-L80 WeakPolarHBondContact O-CB 3.5Å; L77-L80 PolarHBondContact O-N 3.32Å; L77-L80 VanDerWaalsContact O-N 3.07Å; K78-L80 VanDerWaalsContact C-N 3.31Å |
| 81 | K | 96 | Very high | 93.3 | Very high | 194 Ų | 194 | 140.3 Ų | 140.3 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 135.1 | 171 | -66.1 | -179.5 | 178.5 | 177 | 0 | 109.1 | V83 | K81-V83 PolarHBondContact O-N 3.19Š|
| 82 | K | 95.6 | Very high | 93.1 | Very high | 208 Ų | 208 | 144.7 Ų | 144.7 | 90% | 0.904 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 126.1 | 176.9 | -172.8 | 173.7 | -180 | -177.8 | 0 | 109.5 | | |
| 83 | V | 93.9 | Very high | 93 | Very high | 116 Ų | 116 | 147 Ų | 147 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | | | trans | -125.9 | 136 | 173.7 | -178.4 | 0 | 0 | 0 | 0 | 107.4 | K81 | K81-V83 PolarHBondContact O-N 3.19Š|
| 84 | E | 93.6 | Very high | 92.8 | Very high | 177 Ų | 177 | 145.2 Ų | 145.2 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | | | trans | -72.9 | 128.7 | 174.6 | -174.2 | 172.8 | -178.4 | 0 | 0 | 109.6 | | |
| 85 | V | 92 | Very high | 92.5 | Very high | 126 Ų | 126 | 149 Ų | 149 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | trans | -101.1 | 111.7 | 175.4 | -175.8 | 0 | 0 | 0 | 0 | 108 | | |
| 86 | P | 92.3 | Very high | 92.2 | Very high | 86 Ų | 86 | 154.9 Ų | 154.9 | 56% | 0.558 | 76% | 0.763 | S | S | * | * | | | trans | -67.5 | 142.9 | 179.6 | 25.1 | -30.9 | 0 | 0 | 0 | 110.9 | L88 | P86-L88 VanDerWaalsContact C-N 3.35Å; P86-L88 PolarHBondContact O-N 2.63Å |
| 87 | K | 89.5 | Confident | 91.9 | Very high | 217 Ų | 217 | 160.7 Ų | 160.7 | 94% | 0.943 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -67.8 | -32.5 | -174.3 | -70.2 | -179.7 | 179.3 | 174.7 | 0 | 113.3 | | |
| 88 | L | 87.6 | Confident | 91.6 | Very high | 140 Ų | 140 | 162 Ų | 162 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | | | trans | -167.5 | 144.3 | 173.9 | -170.8 | 57.2 | 0 | 0 | 0 | 108.4 | P86 | P86-L88 VanDerWaalsContact C-N 3.35Å; P86-L88 PolarHBondContact O-N 2.63Å |
| 89 | L | 84.5 | Confident | 91.2 | Very high | 150 Ų | 150 | 159.2 Ų | 159.2 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | | | trans | -84.4 | 117.9 | 164.1 | -61.3 | 177 | 0 | 0 | 0 | 106.9 | | |
| 90 | Q | 76.9 | Confident | 90.7 | Very high | 259 Ų | 259 | 162.5 Ų | 162.5 | 100% | 1.21 | 81% | 0.806 | S | S | * | * | | | trans | -87.5 | 0 | 175.2 | -62.6 | -166.7 | -77.4 | 0 | 0 | 110.8 | | |