| 1 | M | 37.5 | Very low | 38.7 | Very low | 250 Ų | 250 | 170.7 Ų | 170.7 | 100% | 1.232 | 81% | 0.805 | S | S | * | * | | | | 0 | 106.9 | 0 | -124.8 | 168.3 | 174.9 | 0 | 0 | 107.3 | | |
| 2 | K | 36.8 | Very low | 38.6 | Very low | 214 Ų | 214 | 171.1 Ų | 171.1 | 93% | 0.93 | 81% | 0.814 | S | S | * | * | | | trans | -81.3 | 133.1 | -169.5 | -76.9 | -179.8 | 175.5 | 180 | 0 | 111 | L4 | K2-L4 PolarHBondContact O-N 3.3Š|
| 3 | S | 33.8 | Very low | 38.1 | Very low | 78 Ų | 78 | 170.7 Ų | 170.7 | 55% | 0.545 | 81% | 0.81 | S | S | . | * | | | trans | -62.1 | 121.8 | -178.1 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | K5 | S3-K5 PolarHBondContact O-N 3.12Å; S3-K5 PolarHBondContact OG-N 2.96Å; S3-K5 VanDerWaalsContact O-N 3.15Å |
| 4 | L | 42.3 | Very low | 37.5 | Very low | 154 Ų | 154 | 171.6 Ų | 171.6 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 7.3 | 175.8 | -148 | 86.9 | 0 | 0 | 0 | 113.3 | K2 | K2-L4 PolarHBondContact O-N 3.3Š|
| 5 | K | 43.2 | Very low | 37.1 | Very low | 184 Ų | 184 | 167.9 Ų | 167.9 | 80% | 0.8 | 82% | 0.815 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -19.4 | -170.8 | -74.6 | -173.8 | 172.5 | -176.4 | 0 | 114.6 | S3 | S3-K5 PolarHBondContact O-N 3.12Å; S3-K5 PolarHBondContact OG-N 2.96Å; S3-K5 VanDerWaalsContact O-N 3.15Å |
| 6 | D | 42.2 | Very low | 36.8 | Very low | 137 Ų | 137 | 168.2 Ų | 168.2 | 73% | 0.733 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -94.9 | -9.4 | -173.4 | -68 | -65.2 | 0 | 0 | 0 | 114.5 | K8 | D6-K8 VanDerWaalsContact C-N 3.31Å; D6-K8 PolarHBondContact O-N 2.87Å |
| 7 | D | 40.4 | Very low | 36.6 | Very low | 124 Ų | 124 | 168.5 Ų | 168.5 | 66% | 0.663 | 82% | 0.822 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 6 | -172.6 | -143 | 6.1 | 0 | 0 | 0 | 114.2 | | |
| 8 | K | 42.4 | Very low | 36.4 | Very low | 186 Ų | 186 | 165.5 Ų | 165.5 | 81% | 0.809 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 21 | -177.5 | -67.7 | -170.4 | 179.9 | -179.7 | 0 | 114.1 | D6 W10 | D6-K8 VanDerWaalsContact C-N 3.31Å; D6-K8 PolarHBondContact O-N 2.87Å; K8-W10 VanDerWaalsContact C-N 3.3Å; K8-W10 PolarHBondContact O-N 3.09Å |
| 9 | R | 35.9 | Very low | 36.5 | Very low | 232 Ų | 232 | 166.7 Ų | 166.7 | 88% | 0.875 | 82% | 0.824 | S | S | * | * | | | trans | -90.9 | 22.9 | 178.8 | -146.4 | 179.3 | -162.2 | -175.6 | 4.8 | 114.2 | V11 | R9-V11 PolarHBondContact O-N 3.2Å; R9-V11 VanDerWaalsContact O-N 3.1Å |
| 10 | W | 36.5 | Very low | 36.6 | Very low | 210 Ų | 210 | 162.5 Ų | 162.5 | 80% | 0.795 | 81% | 0.81 | S | S | * | * | | | trans | -84.1 | 88.9 | 179.8 | -65.9 | 96.9 | 0 | 0 | 0 | 111.6 | K8 | K8-W10 VanDerWaalsContact C-N 3.3Å; K8-W10 PolarHBondContact O-N 3.09Å |
| 11 | V | 34.7 | Very low | 36.7 | Very low | 109 Ų | 109 | 163.9 Ų | 163.9 | 66% | 0.661 | 81% | 0.811 | S | S | * | * | | | trans | 50.3 | 84.5 | 134.5 | -168.2 | 0 | 0 | 0 | 0 | 116.6 | R9 H13 | R9-V11 PolarHBondContact O-N 3.2Å; R9-V11 VanDerWaalsContact O-N 3.1Å; V11-H13 HydrophobicContact CG1-CB 3.52Å; V11-H13 PolarHBondContact O-N 3.48Å |
| 12 | L | 37 | Very low | 36.9 | Very low | 175 Ų | 175 | 159.5 Ų | 159.5 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | | | trans | -88.7 | 80.5 | 155.7 | -164.7 | 85.7 | 0 | 0 | 0 | 108 | | |
| 13 | H | 32 | Very low | 37.2 | Very low | 166 Ų | 166 | 154.4 Ų | 154.4 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | | | trans | -140.9 | 63.9 | -172.9 | -139.3 | -98.7 | 0 | 0 | 0 | 110.3 | V11 | V11-H13 HydrophobicContact CG1-CB 3.52Å; V11-H13 PolarHBondContact O-N 3.48Å |
| 14 | M | 29.8 | Very low | 37.4 | Very low | 184 Ų | 184 | 159.6 Ų | 159.6 | 91% | 0.906 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -166.2 | 134.4 | 166.5 | -111.9 | 165.2 | 108.1 | 0 | 0 | 113.7 | | |
| 15 | C | 31.5 | Very low | 37.4 | Very low | 116 Ų | 116 | 162 Ų | 162 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | | | trans | 86.3 | 45.7 | 162.5 | -65.1 | 0 | 0 | 0 | 0 | 120.5 | M17 | C15-M17 VanDerWaalsContact C-N 3.34Š|
| 16 | L | 32 | Very low | 37.3 | Very low | 172 Ų | 172 | 159.8 Ų | 159.8 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | trans | -84 | 13.2 | 166.2 | -100 | 162.4 | 0 | 0 | 0 | 115.3 | | |
| 17 | M | 33.5 | Very low | 37.3 | Very low | 173 Ų | 173 | 156.8 Ų | 156.8 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | -128.8 | 30.9 | -166.2 | -67.3 | -70.9 | -74.4 | 0 | 0 | 115.7 | C15 | C15-M17 VanDerWaalsContact C-N 3.34Š|
| 18 | S | 34.3 | Very low | 37.4 | Very low | 115 Ų | 115 | 162.4 Ų | 162.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -138.2 | 118.3 | 173.3 | -57.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 19 | E | 36.8 | Very low | 37.4 | Very low | 189 Ų | 189 | 160.6 Ų | 160.6 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | | | trans | -58.1 | 142.5 | -174.2 | -72.3 | -178.1 | 117.9 | 0 | 0 | 113.7 | K21 | E19-K21 PolarHBondContact O-N 2.82Š|
| 20 | P | 38.9 | Very low | 37.6 | Very low | 82 Ų | 82 | 157.1 Ų | 157.1 | 53% | 0.532 | 78% | 0.784 | S | S | . | * | | | trans | -96 | 90.2 | -173.9 | 36.2 | -30.5 | 0 | 0 | 0 | 111.9 | | |
| 21 | K | 40 | Very low | 37.7 | Very low | 192 Ų | 192 | 155.2 Ų | 155.2 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -137.5 | 15.6 | 175.2 | -84.9 | -168.6 | 179.4 | 174.6 | 0 | 118.6 | E19 | E19-K21 PolarHBondContact O-N 2.82Š|
| 22 | N | 40.3 | Very low | 38 | Very low | 157 Ų | 157 | 154.2 Ų | 154.2 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -146.4 | 23 | 175 | -92.3 | -39.9 | 0 | 0 | 0 | 116.2 | | |
| 23 | V | 43.5 | Very low | 38.4 | Very low | 108 Ų | 108 | 153.2 Ų | 153.2 | 66% | 0.655 | 77% | 0.77 | S | S | * | * | | | trans | -87.9 | -14.9 | -171.3 | -172.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 24 | E | 39.2 | Very low | 38.6 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -76.8 | -27.3 | -172.3 | -102.2 | 179.5 | 150.5 | 0 | 0 | 115.4 | | |
| 25 | K | 40.3 | Very low | 39.1 | Very low | 205 Ų | 205 | 145.1 Ų | 145.1 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -86.4 | -8.4 | -172.8 | -82.6 | -174.7 | 176.4 | 178.8 | 0 | 116 | | |
| 26 | N | 42.2 | Very low | 39.5 | Very low | 138 Ų | 138 | 147.6 Ų | 147.6 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | G | 310 helix | trans | -108.5 | 7.5 | -173 | -130.1 | 2.7 | 0 | 0 | 0 | 114.7 | | |
| 27 | I | 42.9 | Very low | 40 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 38% | 0.379 | 76% | 0.755 | S | S | . | * | S | Bend | trans | -87.8 | -19.8 | -174.5 | -69.2 | 175.9 | 0 | 0 | 0 | 112.9 | N29 R66 | I27-N29 PolarHBondContact O-N 3.01Å; I27-R66 VanDerWaalsContact CG2-NH2 3.35Å |
| 28 | R | 41.2 | Very low | 40.5 | Very low | 242 Ų | 242 | 141.7 Ų | 141.7 | 91% | 0.913 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -9.3 | -174.1 | -98.3 | -176.6 | 177.2 | -177.1 | -0.9 | 116 | | |
| 29 | N | 42.5 | Very low | 41.1 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.3 | 24.3 | -169.7 | -89.3 | 6 | 0 | 0 | 0 | 115.8 | I27 | I27-N29 PolarHBondContact O-N 3.01Š|
| 30 | Q | 40.9 | Very low | 41.6 | Very low | 160 Ų | 160 | 138.2 Ų | 138.2 | 75% | 0.748 | 72% | 0.715 | S | S | * | * | | | trans | -128.2 | 98.7 | 169.5 | -68 | -160.5 | 6.8 | 0 | 0 | 110.7 | C32 | Q30-C32 VanDerWaalsContact C-N 3.31Å; Q30-C32 PolarHBondContact O-N 3.49Å |
| 31 | E | 38.1 | Very low | 41.9 | Very low | 170 Ų | 170 | 138.2 Ų | 138.2 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | | | trans | -52 | 96.2 | 162.1 | -70.4 | 176.9 | 141 | 0 | 0 | 108.6 | H33 | E31-H33 VanDerWaalsContact C-N 3.28Å; E31-H33 PolarHBondContact O-N 3.38Å |
| 32 | C | 42.1 | Very low | 42.2 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 59% | 0.588 | 69% | 0.694 | S | S | * | * | | | trans | -74.3 | 89 | 172.7 | -175 | 0 | 0 | 0 | 0 | 107.1 | Q30 S34 C59 | Q30-C32 VanDerWaalsContact C-N 3.31Å; Q30-C32 PolarHBondContact O-N 3.49Å; C32-S34 PolarHBondContact O-N 3.46Å; C32-S34 VanDerWaalsContact O-N 3.12Å; C32-C59 PolarHBondContact SG-SG 3.3Å |
| 33 | H | 43.9 | Very low | 42.5 | Very low | 154 Ų | 154 | 133 Ų | 133 | 71% | 0.713 | 69% | 0.691 | S | S | * | * | | | trans | -54.5 | 119.1 | 171.7 | -74 | -80.4 | 0 | 0 | 0 | 109.6 | E31 G35 | E31-H33 VanDerWaalsContact C-N 3.28Å; E31-H33 PolarHBondContact O-N 3.38Å; H33-G35 PolarHBondContact O-N 3.48Å |
| 34 | S | 37.4 | Very low | 42.6 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 87% | 0.874 | 68% | 0.684 | S | S | * | * | | | trans | -28.3 | 112.3 | 177.2 | 42.6 | 0 | 0 | 0 | 0 | 114.9 | C32 | C32-S34 PolarHBondContact O-N 3.46Å; C32-S34 VanDerWaalsContact O-N 3.12Å |
| 35 | G | 38.9 | Very low | 43.1 | Very low | 56 Ų | 56 | 128.3 Ų | 128.3 | 58% | 0.577 | 68% | 0.683 | S | S | * | * | | | trans | -134.9 | 138.3 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | H33 M37 | H33-G35 PolarHBondContact O-N 3.48Å; G35-M37 PolarHBondContact O-N 2.75Å |
| 36 | L | 41.3 | Very low | 43.4 | Very low | 168 Ų | 168 | 122.9 Ų | 122.9 | 88% | 0.88 | 67% | 0.667 | S | S | * | * | | | trans | -27.5 | 111.2 | -172.9 | -96.2 | 128.9 | 0 | 0 | 0 | 114.7 | S38 | L36-S38 PolarHBondContact O-N 3.47Å; L36-S38 VanDerWaalsContact O-N 3.09Å |
| 37 | M | 42.8 | Very low | 43.3 | Very low | 143 Ų | 143 | 121.4 Ų | 121.4 | 70% | 0.704 | 67% | 0.667 | S | S | * | * | | | trans | -67.8 | 101.7 | 164.3 | -90.7 | 169.4 | 62.6 | 0 | 0 | 108.5 | G35 M39 | G35-M37 PolarHBondContact O-N 2.75Å; M37-M39 HydrophobicContact CE-SD 4.5Å; M37-M39 PolarHBondContact O-N 2.93Å |
| 38 | S | 43.5 | Very low | 43.3 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 54% | 0.538 | 69% | 0.687 | S | S | . | * | | | trans | -90.2 | 98.7 | 169.1 | -155.2 | 0 | 0 | 0 | 0 | 108.7 | L36 I40 L56 | L36-S38 PolarHBondContact O-N 3.47Å; L36-S38 VanDerWaalsContact O-N 3.09Å; S38-I40 PolarHBondContact O-N 3.23Å; S38-L56 VanDerWaalsContact O-O 3.08Å |
| 39 | M | 46.1 | Very low | 43.6 | Very low | 137 Ų | 137 | 116.6 Ų | 116.6 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | | | trans | -79 | 109.6 | 174.8 | -66.7 | -176.6 | -69.7 | 0 | 0 | 109.1 | M37 | M37-M39 HydrophobicContact CE-SD 4.5Å; M37-M39 PolarHBondContact O-N 2.93Å |
| 40 | I | 47.7 | Very low | 43.7 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 48% | 0.482 | 67% | 0.671 | S | S | . | * | | | trans | -92.7 | 104.2 | 172.7 | -56.6 | 173.9 | 0 | 0 | 0 | 107.7 | S38 V42 | S38-I40 PolarHBondContact O-N 3.23Å; I40-V42 HydrophobicContact CG2-CG2 4.05Å; I40-V42 PolarHBondContact O-N 3.15Å; I40-V42 VanDerWaalsContact O-N 3.12Å |
| 41 | S | 44.6 | Very low | 43.8 | Very low | 83 Ų | 83 | 114.2 Ų | 114.2 | 58% | 0.58 | 68% | 0.675 | S | S | * | * | | | trans | -72.6 | 101.4 | 171.3 | -178.8 | 0 | 0 | 0 | 0 | 109.5 | K43 | S41-K43 PolarHBondContact O-N 3.48Š|
| 42 | V | 47.3 | Very low | 44.2 | Very low | 57 Ų | 57 | 107.9 Ų | 107.9 | 35% | 0.345 | 65% | 0.648 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86.5 | 101.8 | 170.7 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | I40 N44 I54 | I40-V42 HydrophobicContact CG2-CG2 4.05Å; I40-V42 PolarHBondContact O-N 3.15Å; I40-V42 VanDerWaalsContact O-N 3.12Å; V42-N44 PolarHBondContact O-N 3.35Å; V42-I54 HydrophobicContact CB-CB 4.43Å |
| 43 | K | 46.6 | Very low | 44.5 | Very low | 181 Ų | 181 | 108.3 Ų | 108.3 | 79% | 0.787 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -73.9 | 100.3 | 164.6 | -76.6 | -168.5 | 176 | -166.4 | 0 | 107.6 | S41 A45 | S41-K43 PolarHBondContact O-N 3.48Å; K43-A45 PolarHBondContact O-N 3.43Å |
| 44 | N | 45.6 | Very low | 44.8 | Very low | 93 Ų | 93 | 102.7 Ų | 102.7 | 50% | 0.497 | 62% | 0.622 | S | S | . | * | | | trans | -81.2 | 110 | 171.5 | -142.6 | 10.9 | 0 | 0 | 0 | 107.6 | V42 V46 | V42-N44 PolarHBondContact O-N 3.35Å; N44-V46 PolarHBondContact O-N 3.42Å; N44-V46 WeakPolarHBondContact ND2-CG2 3.32Å; N44-V46 HydrophobicContact CB-CG2 4.03Å; N44-V46 VanDerWaalsContact ND2-CG2 3.32Å |
| 45 | A | 49.3 | Very low | 45.4 | Very low | 103 Ų | 103 | 100.7 Ų | 100.7 | 85% | 0.851 | 61% | 0.608 | S | S | * | * | | | trans | -74 | 62.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | K43 S47 | K43-A45 PolarHBondContact O-N 3.43Å; A45-S47 PolarHBondContact O-N 3.1Å |
| 46 | V | 46.8 | Very low | 46 | Very low | 92 Ų | 92 | 100.2 Ų | 100.2 | 56% | 0.558 | 59% | 0.592 | S | S | * | * | | | trans | -84.9 | 106.1 | 169.1 | -176.4 | 0 | 0 | 0 | 0 | 105.8 | N44 | N44-V46 PolarHBondContact O-N 3.42Å; N44-V46 WeakPolarHBondContact ND2-CG2 3.32Å; N44-V46 HydrophobicContact CB-CG2 4.03Å; N44-V46 VanDerWaalsContact ND2-CG2 3.32Å |
| 47 | S | 41.2 | Very low | 46.4 | Very low | 106 Ų | 106 | 96 Ų | 96 | 74% | 0.741 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -25 | 130.8 | 164.4 | -164.1 | 0 | 0 | 0 | 0 | 112 | A45 | A45-S47 PolarHBondContact O-N 3.1Š|
| 48 | V | 40.9 | Very low | 46.6 | Very low | 131 Ų | 131 | 93.3 Ų | 93.3 | 79% | 0.794 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.6 | 73.2 | 176.9 | -145.8 | 0 | 0 | 0 | 0 | 116.1 | V50 | V48-V50 PolarHBondContact O-N 3.05Š|
| 49 | G | 48.9 | Very low | 46.7 | Very low | 85 Ų | 85 | 91.2 Ų | 91.2 | 88% | 0.876 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.7 | 6.1 | 141.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 50 | V | 43.9 | Very low | 46.9 | Very low | 79 Ų | 79 | 96.7 Ų | 96.7 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | | | trans | -123.9 | 103.3 | -179.1 | -174.5 | 0 | 0 | 0 | 0 | 111.4 | V48 T52 | V48-V50 PolarHBondContact O-N 3.05Å; V50-T52 PolarHBondContact O-N 3.12Å |
| 51 | E | 43.4 | Very low | 47 | Very low | 178 Ų | 178 | 103.7 Ų | 103.7 | 83% | 0.832 | 59% | 0.587 | S | S | * | * | | | trans | -69.2 | 111.4 | 168.4 | -70.8 | -165.2 | 150.4 | 0 | 0 | 109.6 | | |
| 52 | T | 45.7 | Very low | 47 | Very low | 37 Ų | 37 | 102 Ų | 102 | 23% | 0.227 | 58% | 0.575 | C | S | . | * | | | trans | -105.5 | 119 | 174.4 | -55.5 | 0 | 0 | 0 | 0 | 109.5 | V50 I54 I70 | V50-T52 PolarHBondContact O-N 3.12Å; T52-I54 HydrophobicContact CG2-CG1 4.25Å; T52-I70 HydrophobicContact CG2-CG1 4.42Å; T52-I70 HydrophobicContact CG2-CG2 4.08Å |
| 53 | T | 49.1 | Very low | 46.8 | Very low | 95 Ų | 95 | 103.9 Ų | 103.9 | 58% | 0.583 | 60% | 0.596 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.4 | 171.6 | -60.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 54 | I | 50.5 | Low | 46.7 | Very low | 36 Ų | 36 | 105.8 Ų | 105.8 | 19% | 0.185 | 60% | 0.598 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.2 | 173.8 | -56.8 | 174.8 | 0 | 0 | 0 | 108 | V42 T52 L56 P68 | V42-I54 HydrophobicContact CB-CB 4.43Å; T52-I54 HydrophobicContact CG2-CG1 4.25Å; I54-L56 HydrophobicContact CG2-CD2 3.97Å; I54-L56 HydrophobicContact CG2-CG 4.23Å; I54-P68 HydrophobicContact CG2-CB 4.01Å |
| 55 | S | 50.4 | Low | 46.9 | Very low | 83 Ų | 83 | 106.7 Ų | 106.7 | 58% | 0.58 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 125.7 | 172.9 | -65.8 | 0 | 0 | 0 | 0 | 109.9 | | |
| 56 | L | 50.5 | Low | 46.9 | Very low | 46 Ų | 46 | 109.5 Ų | 109.5 | 24% | 0.241 | 59% | 0.591 | C | S | . | * | | | trans | -113.5 | 119.8 | 177 | -60.3 | 178.8 | 0 | 0 | 0 | 109.3 | S38 I54 L65 | S38-L56 VanDerWaalsContact O-O 3.08Å; I54-L56 HydrophobicContact CG2-CD2 3.97Å; I54-L56 HydrophobicContact CG2-CG 4.23Å; L56-L65 HydrophobicContact CB-CD2 4.25Å; L56-L65 HydrophobicContact CD1-CD2 4.13Å; L56-L65 HydrophobicContact CD2-CD2 3.49Å; L56-L65 VanDerWaalsContact CD2-CD2 3.49Å; L56-L65 HydrophobicContact CG-CD2 4.15Å |
| 57 | S | 50 | Low | 47.1 | Very low | 81 Ų | 81 | 112.6 Ų | 112.6 | 57% | 0.566 | 60% | 0.597 | S | S | * | * | | | trans | -95.7 | 105.3 | 170.2 | 59.1 | 0 | 0 | 0 | 0 | 109 | C59 | S57-C59 PolarHBondContact O-N 3.41Š|
| 58 | V | 47.6 | Very low | 47.5 | Very low | 86 Ų | 86 | 111 Ų | 111 | 52% | 0.521 | 58% | 0.584 | S | S | . | * | | | trans | -89.2 | 103.3 | 173.5 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | | |
| 59 | C | 45.3 | Very low | 47.9 | Very low | 33 Ų | 33 | 113 Ų | 113 | 22% | 0.223 | 59% | 0.587 | C | S | . | * | B | Isolated β-bridge | trans | -87.3 | 132.2 | 167.6 | 168.8 | 0 | 0 | 0 | 0 | 109 | C32 S57 R61 C62 | C32-C59 PolarHBondContact SG-SG 3.3Å; S57-C59 PolarHBondContact O-N 3.41Å; C59-R61 PolarHBondContact O-N 3.04Å; C59-C62 VanDerWaalsContact SG-SG 3.62Å; C59-C62 PolarHBondContact O-N 3.18Å; C59-C62 HydrophobicContact CB-CB 3.8Å; C59-C62 CarbonylContact O-C 3.21Å |
| 60 | R | 49.9 | Very low | 47.8 | Very low | 251 Ų | 251 | 113.8 Ų | 113.8 | 95% | 0.947 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.7 | -16.1 | -175 | -141.6 | 178.7 | -166.2 | -172.7 | 3.8 | 113.9 | | |
| 61 | R | 49.6 | Very low | 48 | Very low | 241 Ų | 241 | 120.3 Ų | 120.3 | 91% | 0.909 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | -7.9 | 170.2 | -73.3 | -175.2 | -178.1 | 176.9 | 1.2 | 114.1 | C59 | C59-R61 PolarHBondContact O-N 3.04Š|
| 62 | C | 45.4 | Very low | 48 | Very low | 48 Ų | 48 | 116.2 Ų | 116.2 | 32% | 0.324 | 57% | 0.573 | S | S | . | * | B | Isolated β-bridge | trans | -124.8 | 64.4 | -178.8 | -42.5 | 0 | 0 | 0 | 0 | 110.7 | C59 R64 | C59-C62 VanDerWaalsContact SG-SG 3.62Å; C59-C62 PolarHBondContact O-N 3.18Å; C59-C62 HydrophobicContact CB-CB 3.8Å; C59-C62 CarbonylContact O-C 3.21Å; C62-R64 PolarHBondContact O-N 3.36Å |
| 63 | A | 42.6 | Very low | 48.1 | Very low | 96 Ų | 96 | 121 Ų | 121 | 79% | 0.793 | 60% | 0.597 | S | S | * | * | | | trans | -61 | 19.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L65 | A63-L65 VanDerWaalsContact C-N 3.35Å; A63-L65 PolarHBondContact O-N 3.43Å |
| 64 | R | 43.8 | Very low | 47.6 | Very low | 221 Ų | 221 | 124.8 Ų | 124.8 | 83% | 0.834 | 61% | 0.608 | S | S | * | * | | | trans | -83.4 | 81.8 | 165.6 | -68.1 | -177.7 | 174.6 | -170.7 | -2 | 107.5 | C62 R66 | C62-R64 PolarHBondContact O-N 3.36Å; R64-R66 PolarHBondContact O-N 3.21Å |
| 65 | L | 50.1 | Low | 47.1 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 59% | 0.586 | 64% | 0.637 | S | S | * | * | | | trans | -48.1 | 106.2 | 164.7 | -82.7 | 152.1 | 0 | 0 | 0 | 108.6 | L56 A63 | L56-L65 HydrophobicContact CB-CD2 4.25Å; L56-L65 HydrophobicContact CD1-CD2 4.13Å; L56-L65 HydrophobicContact CD2-CD2 3.49Å; L56-L65 VanDerWaalsContact CD2-CD2 3.49Å; L56-L65 HydrophobicContact CG-CD2 4.15Å; A63-L65 VanDerWaalsContact C-N 3.35Å; A63-L65 PolarHBondContact O-N 3.43Å |
| 66 | R | 50.2 | Low | 46.6 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 62% | 0.615 | 65% | 0.65 | S | S | * | * | | | trans | -64.6 | 135.5 | 167.8 | -69.9 | -172.6 | 179 | 169.2 | 4.9 | 106.9 | I27 R64 | I27-R66 VanDerWaalsContact CG2-NH2 3.35Å; R64-R66 PolarHBondContact O-N 3.21Å |
| 67 | K | 50.7 | Low | 46.2 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 68% | 0.678 | 68% | 0.678 | S | S | * | * | | | trans | -40.4 | 133.4 | 179.7 | -70.6 | 179.2 | 176.8 | -176.3 | 0 | 110.2 | M69 | K67-M69 PolarHBondContact O-N 3.43Š|
| 68 | P | 49.6 | Very low | 45.7 | Very low | 73 Ų | 73 | 144 Ų | 144 | 47% | 0.474 | 69% | 0.689 | S | S | . | * | | | trans | -57.6 | 118.2 | 173.9 | 24.3 | -31.9 | 0 | 0 | 0 | 108.4 | I54 I70 | I54-P68 HydrophobicContact CG2-CB 4.01Å; P68-I70 VanDerWaalsContact C-N 3.34Å; P68-I70 PolarHBondContact O-N 3.34Å |
| 69 | M | 48.7 | Very low | 45.6 | Very low | 174 Ų | 174 | 146 Ų | 146 | 86% | 0.857 | 70% | 0.701 | S | S | * | * | | | trans | -70.9 | 96.7 | 166 | -95.3 | -174.7 | 171.5 | 0 | 0 | 106.9 | K67 R71 | K67-M69 PolarHBondContact O-N 3.43Å; M69-R71 PolarHBondContact O-N 2.86Å |
| 70 | I | 46.5 | Very low | 45.6 | Very low | 100 Ų | 100 | 155.8 Ų | 155.8 | 51% | 0.513 | 75% | 0.752 | S | S | . | * | | | trans | -80.9 | 99.7 | 166.3 | -58.2 | 175.4 | 0 | 0 | 0 | 105.8 | T52 P68 V72 | T52-I70 HydrophobicContact CG2-CG1 4.42Å; T52-I70 HydrophobicContact CG2-CG2 4.08Å; P68-I70 VanDerWaalsContact C-N 3.34Å; P68-I70 PolarHBondContact O-N 3.34Å; I70-V72 PolarHBondContact O-N 2.92Å; I70-V72 HydrophobicContact CG2-CG2 4.04Å |
| 71 | R | 48.1 | Very low | 45.4 | Very low | 217 Ų | 217 | 151.1 Ų | 151.1 | 82% | 0.819 | 74% | 0.742 | S | S | * | * | | | trans | -80.1 | 108.1 | 163.3 | -82.3 | -172 | 177.6 | -177.4 | -0.8 | 107.2 | M69 N73 | M69-R71 PolarHBondContact O-N 2.86Å; R71-N73 PolarHBondContact O-N 3.19Å |
| 72 | V | 44.1 | Very low | 45.1 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 56% | 0.558 | 73% | 0.733 | S | S | * | * | | | trans | -78.5 | 107.2 | 165.4 | -179 | 0 | 0 | 0 | 0 | 106.4 | I70 E74 | I70-V72 PolarHBondContact O-N 2.92Å; I70-V72 HydrophobicContact CG2-CG2 4.04Å; V72-E74 HydrophobicContact CG1-CG 4.1Å; V72-E74 PolarHBondContact O-N 3.23Å |
| 73 | N | 47.2 | Very low | 45.1 | Very low | 138 Ų | 138 | 151.8 Ų | 151.8 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | | | trans | -74.6 | 99.3 | 161.5 | -88.5 | -3.1 | 0 | 0 | 0 | 106.5 | R71 C75 | R71-N73 PolarHBondContact O-N 3.19Å; N73-C75 VanDerWaalsContact C-N 3.33Å; N73-C75 PolarHBondContact O-N 3.36Å |
| 74 | E | 39.3 | Very low | 45.3 | Very low | 173 Ų | 173 | 155.1 Ų | 155.1 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | | | trans | -65.2 | 95.2 | 168.6 | -69.5 | -175.3 | 156.9 | 0 | 0 | 108.6 | V72 R76 | V72-E74 HydrophobicContact CG1-CG 4.1Å; V72-E74 PolarHBondContact O-N 3.23Å; E74-R76 VanDerWaalsContact C-N 3.34Å; E74-R76 PolarHBondContact O-N 2.95Å; E74-R76 VanDerWaalsContact O-N 3.08Å |
| 75 | C | 38.2 | Very low | 45.4 | Very low | 116 Ų | 116 | 150.9 Ų | 150.9 | 78% | 0.784 | 75% | 0.748 | S | S | * | * | | | trans | -72.2 | 95.3 | 161.2 | -80.3 | 0 | 0 | 0 | 0 | 107.6 | N73 Q77 | N73-C75 VanDerWaalsContact C-N 3.33Å; N73-C75 PolarHBondContact O-N 3.36Å; C75-Q77 PolarHBondContact O-N 3.08Å |
| 76 | R | 41 | Very low | 45 | Very low | 227 Ų | 227 | 153.5 Ų | 153.5 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | | | trans | -59.1 | 98 | 163.1 | -99 | 179.5 | 151.6 | 174.3 | -6.1 | 108.6 | E74 T78 | E74-R76 VanDerWaalsContact C-N 3.34Å; E74-R76 PolarHBondContact O-N 2.95Å; E74-R76 VanDerWaalsContact O-N 3.08Å; R76-T78 PolarHBondContact O-N 3.25Å |
| 77 | Q | 42.3 | Very low | 44.7 | Very low | 178 Ų | 178 | 152.9 Ų | 152.9 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | trans | -73.7 | 105.4 | 155.9 | -77.3 | -173.8 | 33.6 | 0 | 0 | 107 | C75 | C75-Q77 PolarHBondContact O-N 3.08Š|
| 78 | T | 38.4 | Very low | 44.2 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | | | trans | -85.5 | 115.8 | 161.4 | 33.5 | 0 | 0 | 0 | 0 | 105.9 | R76 | R76-T78 PolarHBondContact O-N 3.25Š|
| 79 | T | 46.8 | Very low | 43.8 | Very low | 127 Ų | 127 | 159.3 Ų | 159.3 | 78% | 0.779 | 80% | 0.802 | S | S | * | * | | | trans | -115.6 | 125.7 | 166.9 | -39.1 | 0 | 0 | 0 | 0 | 106.6 | | |
| 80 | N | 44.6 | Very low | 43.3 | Very low | 239 Ų | 239 | 157.9 Ų | 157.9 | 100% | 1.278 | 80% | 0.797 | S | S | * | * | | | trans | -50.8 | 0 | 178.5 | -75.9 | -39.5 | 0 | 0 | 0 | 113.7 | | |