| 1 | M | 50.1 | Low | 57.5 | Low | 243 Ų | 243 | 189.8 Ų | 189.8 | 100% | 1.197 | 89% | 0.892 | S | S | * | * | | | | 0 | 109.5 | 0 | -65.5 | 178.8 | 171.7 | 0 | 0 | 108.5 | | |
| 2 | R | 52.4 | Low | 57.6 | Low | 248 Ų | 248 | 188 Ų | 188 | 94% | 0.936 | 89% | 0.89 | S | S | * | * | | | trans | -110.9 | 107.1 | 178.3 | -59.9 | -177.5 | -175.8 | 170.2 | 1.9 | 107 | L4 | R2-L4 PolarHBondContact O-N 3.46Š|
| 3 | K | 53.3 | Low | 57.3 | Low | 202 Ų | 202 | 178.3 Ų | 178.3 | 88% | 0.878 | 87% | 0.87 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 120.6 | 177.1 | -70 | -170.7 | 175.4 | 178.1 | 0 | 108.5 | R5 | K3-R5 PolarHBondContact O-N 3.36Š|
| 4 | L | 58.7 | Low | 57.3 | Low | 173 Ų | 173 | 179 Ų | 179 | 91% | 0.906 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 123.6 | 167.5 | -84.7 | 140.6 | 0 | 0 | 0 | 108 | R2 | R2-L4 PolarHBondContact O-N 3.46Š|
| 5 | R | 66.9 | Low | 57.3 | Low | 224 Ų | 224 | 174.1 Ų | 174.1 | 85% | 0.845 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 139.3 | 171.2 | -68.2 | -154.6 | -79.3 | -152.6 | -1.3 | 109.2 | K3 | K3-R5 PolarHBondContact O-N 3.36Š|
| 6 | P | 61.5 | Low | 56.9 | Low | 121 Ų | 121 | 175.2 Ų | 175.2 | 79% | 0.786 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.4 | 174.4 | -18 | 30.6 | 0 | 0 | 0 | 110.2 | E8 | P6-E8 PolarHBondContact O-N 3.39Š|
| 7 | R | 61.3 | Low | 57.1 | Low | 239 Ų | 239 | 173.8 Ų | 173.8 | 90% | 0.902 | 87% | 0.868 | S | S | * | * | | | trans | -77.7 | 113.9 | 169.4 | -63.4 | -177.6 | 79.7 | 158.8 | 2.7 | 107 | V9 | R7-V9 PolarHBondContact O-N 3.28Š|
| 8 | E | 58.8 | Low | 56.9 | Low | 189 Ų | 189 | 168.7 Ų | 168.7 | 88% | 0.883 | 86% | 0.858 | S | S | * | * | | | trans | -67 | 115.3 | 168.8 | -70.4 | -176.6 | 111.7 | 0 | 0 | 108.8 | P6 K10 | P6-E8 PolarHBondContact O-N 3.39Å; E8-K10 PolarHBondContact O-N 3.24Å |
| 9 | V | 61.5 | Low | 57 | Low | 141 Ų | 141 | 171.8 Ų | 171.8 | 86% | 0.855 | 86% | 0.858 | S | S | * | * | | | trans | -77.4 | 101.5 | 162.9 | -111.7 | 0 | 0 | 0 | 0 | 106.3 | R7 C11 | R7-V9 PolarHBondContact O-N 3.28Å; V9-C11 PolarHBondContact O-N 3.09Å; V9-C11 VanDerWaalsContact O-N 3.09Å |
| 10 | K | 50.5 | Low | 57.1 | Low | 189 Ų | 189 | 167.4 Ų | 167.4 | 82% | 0.822 | 85% | 0.849 | S | S | * | * | | | trans | -73.4 | 100.5 | 175 | -171.7 | 159.7 | -178.7 | 170.9 | 0 | 108.2 | E8 I12 | E8-K10 PolarHBondContact O-N 3.24Å; K10-I12 PolarHBondContact O-N 2.77Å |
| 11 | C | 57.9 | Low | 57.3 | Low | 119 Ų | 119 | 166.5 Ų | 166.5 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | | | trans | -57.1 | 124.4 | 159.4 | -67.4 | 0 | 0 | 0 | 0 | 107.1 | V9 G13 | V9-C11 PolarHBondContact O-N 3.09Å; V9-C11 VanDerWaalsContact O-N 3.09Å; C11-G13 PolarHBondContact O-N 3.26Å |
| 12 | I | 58.3 | Low | 58.1 | Low | 168 Ų | 168 | 159.7 Ų | 159.7 | 86% | 0.862 | 82% | 0.82 | S | S | * | * | | | trans | -74.5 | 79.4 | -177.7 | -54.2 | 164.4 | 0 | 0 | 0 | 106.9 | K10 Q14 | K10-I12 PolarHBondContact O-N 2.77Å; I12-Q14 PolarHBondContact O-N 3.19Å |
| 13 | G | 53.5 | Low | 59.2 | Low | 62 Ų | 62 | 152.6 Ų | 152.6 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | | | trans | -69.3 | 104.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | C11 S15 | C11-G13 PolarHBondContact O-N 3.26Å; G13-S15 PolarHBondContact O-N 3.34Å |
| 14 | Q | 57.3 | Low | 60.6 | Low | 188 Ų | 188 | 151.2 Ų | 151.2 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | | | trans | 19.8 | 92.8 | 137.1 | -56.5 | -178.7 | 35.4 | 0 | 0 | 115.7 | I12 | I12-Q14 PolarHBondContact O-N 3.19Š|
| 15 | S | 57.7 | Low | 61.9 | Low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 80% | 0.799 | S | S | * | * | | | trans | -165.7 | 108.9 | 149 | -96.6 | 0 | 0 | 0 | 0 | 109.5 | G13 | G13-S15 PolarHBondContact O-N 3.34Š|
| 16 | Q | 51.1 | Low | 63.1 | Low | 191 Ų | 191 | 145.4 Ų | 145.4 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | trans | -176.7 | 129.4 | 132.7 | -98.4 | 164.2 | 99.1 | 0 | 0 | 110.7 | A18 | Q16-A18 PolarHBondContact O-N 3.01Š|
| 17 | T | 60 | Low | 64.3 | Low | 151 Ų | 151 | 143.9 Ų | 143.9 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | | | trans | -60.3 | 93 | 169.5 | 45.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 18 | A | 53.1 | Low | 65.8 | Low | 83 Ų | 83 | 140.5 Ų | 140.5 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | | | trans | -139.6 | 125.9 | 142.3 | 0 | 0 | 0 | 0 | 0 | 103.7 | Q16 A20 | Q16-A18 PolarHBondContact O-N 3.01Å; A18-A20 PolarHBondContact O-N 2.69Å |
| 19 | R | 58.8 | Low | 67.4 | Low | 228 Ų | 228 | 139.9 Ų | 139.9 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -70 | 72.8 | 172.1 | -162.3 | 177 | 170 | -179.7 | -2.5 | 106.7 | M21 | R19-M21 VanDerWaalsContact C-N 3.29Å; R19-M21 HydrophobicContact CG-SD 4.46Å; R19-M21 PolarHBondContact O-N 2.7Å |
| 20 | A | 60.3 | Low | 68.7 | Low | 82 Ų | 82 | 138.3 Ų | 138.3 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | | | trans | -58.4 | 106.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 103.6 | A18 S22 | A18-A20 PolarHBondContact O-N 2.69Å; A20-S22 PolarHBondContact O-N 2.96Å |
| 21 | M | 60 | Low | 70.5 | Confident | 149 Ų | 149 | 138.8 Ų | 138.8 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -64.1 | 76 | 166.4 | -63.3 | -76 | -77.7 | 0 | 0 | 105.2 | R19 T23 | R19-M21 VanDerWaalsContact C-N 3.29Å; R19-M21 HydrophobicContact CG-SD 4.46Å; R19-M21 PolarHBondContact O-N 2.7Å; M21-T23 VanDerWaalsContact C-N 3.34Å; M21-T23 PolarHBondContact O-N 2.93Å |
| 22 | S | 68.3 | Low | 72 | Confident | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | | | trans | -64.8 | 104.4 | 175 | -171.3 | 0 | 0 | 0 | 0 | 104.4 | A20 L24 | A20-S22 PolarHBondContact O-N 2.96Å; S22-L24 PolarHBondContact O-N 3.17Å; S22-L24 VanDerWaalsContact O-N 3.1Å |
| 23 | T | 74.7 | Confident | 73.6 | Confident | 100 Ų | 100 | 135.1 Ų | 135.1 | 61% | 0.613 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 118.4 | 178.1 | 55.5 | 0 | 0 | 0 | 0 | 106.7 | M21 F25 | M21-T23 VanDerWaalsContact C-N 3.34Å; M21-T23 PolarHBondContact O-N 2.93Å; T23-F25 PolarHBondContact O-N 3.1Å |
| 24 | L | 83.2 | Confident | 75.3 | Confident | 172 Ų | 172 | 135.8 Ų | 135.8 | 90% | 0.901 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 120 | 171.7 | -84.9 | 82.3 | 0 | 0 | 0 | 107.2 | S22 | S22-L24 PolarHBondContact O-N 3.17Å; S22-L24 VanDerWaalsContact O-N 3.1Å |
| 25 | F | 86.5 | Confident | 76.7 | Confident | 174 Ų | 174 | 131.5 Ų | 131.5 | 76% | 0.763 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -84 | 141.8 | 169.9 | -91.9 | -94.7 | 0 | 0 | 0 | 109.2 | T23 | T23-F25 PolarHBondContact O-N 3.1Š|
| 26 | P | 91.1 | Very high | 78 | Confident | 101 Ų | 101 | 134.1 Ų | 134.1 | 66% | 0.656 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 154.1 | 173.4 | 27.6 | -34.4 | 0 | 0 | 0 | 110.8 | L28 | P26-L28 PolarHBondContact O-N 3.23Š|
| 27 | S | 87.3 | Confident | 79.6 | Confident | 89 Ų | 89 | 132.8 Ų | 132.8 | 62% | 0.622 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.5 | 171.2 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | F29 | S27-F29 WeakPolarHBondContact OG-CD2 3.36Å; S27-F29 PolarHBondContact OG-N 3.47Å |
| 28 | L | 91.6 | Very high | 80.8 | Confident | 168 Ų | 168 | 130.4 Ų | 130.4 | 88% | 0.88 | 69% | 0.689 | S | S | * | * | | | trans | -103.9 | 11.9 | 172.2 | -61.8 | 176.2 | 0 | 0 | 0 | 111.9 | P26 | P26-L28 PolarHBondContact O-N 3.23Š|
| 29 | F | 92.9 | Very high | 82.3 | Confident | 176 Ų | 176 | 131 Ų | 131 | 77% | 0.772 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -71 | 146.9 | 176.5 | -69.5 | -70.5 | 0 | 0 | 0 | 110.7 | S27 | S27-F29 WeakPolarHBondContact OG-CD2 3.36Å; S27-F29 PolarHBondContact OG-N 3.47Å |
| 30 | P | 89.2 | Confident | 83.3 | Confident | 109 Ų | 109 | 127.1 Ų | 127.1 | 71% | 0.708 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 158.7 | 170.3 | -23.6 | 33.6 | 0 | 0 | 0 | 111.7 | | |
| 31 | R | 87.9 | Confident | 84.3 | Confident | 199 Ų | 199 | 130.2 Ų | 130.2 | 75% | 0.751 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 148.4 | 176.7 | -66.6 | 179.4 | 173.8 | 177.5 | -2.2 | 109.5 | T33 | R31-T33 WeakPolarHBondContact CB-O 2.97Å; R31-T33 PolarHBondContact O-N 3.44Å |
| 32 | V | 89.2 | Confident | 85.2 | Confident | 134 Ų | 134 | 131.8 Ų | 131.8 | 81% | 0.812 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -68.8 | -27.6 | 176.9 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | W37 | V32-W37 WeakPolarHBondContact O-CH2 3.39Å; V32-W37 WeakPolarHBondContact O-CZ2 3.46Å |
| 33 | T | 92.1 | Very high | 85.4 | Confident | 76 Ų | 76 | 132.8 Ų | 132.8 | 47% | 0.466 | 68% | 0.683 | S | S | . | * | | | trans | -119.3 | 137.7 | 176.3 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | R31 W37 F38 | R31-T33 WeakPolarHBondContact CB-O 2.97Å; R31-T33 PolarHBondContact O-N 3.44Å; T33-W37 VanDerWaalsContact CA-CZ2 3.46Å; T33-W37 HydrophobicContact CG2-CH2 4.15Å; T33-F38 HydrophobicContact CG2-CD1 4.35Å |
| 34 | E | 89.4 | Confident | 85.6 | Confident | 76 Ų | 76 | 131.1 Ų | 131.1 | 36% | 0.355 | 67% | 0.674 | S | S | . | * | | | trans | -130.1 | 142.1 | 172.5 | -62.9 | -70.9 | 156.7 | 0 | 0 | 109.6 | L36 W37 F38 | E34-L36 PolarHBondContact O-N 3.3Å; E34-L36 VanDerWaalsContact O-N 3.12Å; E34-W37 PolarHBondContact O-N 2.78Å; E34-W37 VanDerWaalsContact O-N 3.14Å; E34-F38 WeakPolarHBondContact O-CA 2.92Å; E34-F38 WeakPolarHBondContact O-CB 3.38Å; E34-F38 PolarHBondContact O-N 3.14Å |
| 35 | T | 87.4 | Confident | 85.5 | Confident | 98 Ų | 98 | 127.2 Ų | 127.2 | 60% | 0.601 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -32.5 | 176.2 | -50.8 | 0 | 0 | 0 | 0 | 111.5 | W37 F38 N39 | T35-W37 PolarHBondContact O-N 3.06Å; T35-F38 WeakPolarHBondContact CA-O 3.46Å; T35-N39 WeakPolarHBondContact CG2-OD1 3.09Å; T35-N39 PolarHBondContact O-ND2 3.12Å; T35-N39 PolarHBondContact O-OD1 3.05Å |
| 36 | L | 83.5 | Confident | 85.4 | Confident | 161 Ų | 161 | 126.5 Ų | 126.5 | 84% | 0.843 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -27.9 | -179.8 | -66.9 | 172.7 | 0 | 0 | 0 | 114.7 | E34 | E34-L36 PolarHBondContact O-N 3.3Å; E34-L36 VanDerWaalsContact O-N 3.12Å |
| 37 | W | 85.8 | Confident | 85.4 | Confident | 162 Ų | 162 | 129.1 Ų | 129.1 | 61% | 0.614 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.7 | -8 | -179.5 | 56.2 | -101.3 | 0 | 0 | 0 | 113.4 | V32 T33 E34 T35 | V32-W37 WeakPolarHBondContact O-CH2 3.39Å; V32-W37 WeakPolarHBondContact O-CZ2 3.46Å; T33-W37 VanDerWaalsContact CA-CZ2 3.46Å; T33-W37 HydrophobicContact CG2-CH2 4.15Å; E34-W37 PolarHBondContact O-N 2.78Å; E34-W37 VanDerWaalsContact O-N 3.14Å; T35-W37 PolarHBondContact O-N 3.06Å |
| 38 | F | 85.4 | Confident | 85.6 | Confident | 102 Ų | 102 | 128.4 Ų | 128.4 | 45% | 0.447 | 65% | 0.652 | S | S | . | * | | | trans | -128 | 82.5 | 173.6 | -169.3 | -104.7 | 0 | 0 | 0 | 109.5 | T33 E34 T35 L40 | T33-F38 HydrophobicContact CG2-CD1 4.35Å; E34-F38 WeakPolarHBondContact O-CA 2.92Å; E34-F38 WeakPolarHBondContact O-CB 3.38Å; E34-F38 PolarHBondContact O-N 3.14Å; T35-F38 WeakPolarHBondContact CA-O 3.46Å; F38-L40 HydrophobicContact CE1-CB 4.21Å; F38-L40 HydrophobicContact CE1-CD1 3.98Å; F38-L40 HydrophobicContact CE2-CD1 4.17Å; F38-L40 HydrophobicContact CZ-CD1 3.55Å |
| 39 | N | 83.3 | Confident | 85.7 | Confident | 94 Ų | 94 | 125.1 Ų | 125.1 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | | | trans | -98.2 | 82.7 | 177.2 | -71.4 | -70.5 | 0 | 0 | 0 | 110 | T35 | T35-N39 WeakPolarHBondContact CG2-OD1 3.09Å; T35-N39 PolarHBondContact O-ND2 3.12Å; T35-N39 PolarHBondContact O-OD1 3.05Å |
| 40 | L | 79.8 | Confident | 85.8 | Confident | 147 Ų | 147 | 120.9 Ų | 120.9 | 77% | 0.77 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -74.1 | -38.1 | 176.6 | -149.8 | 91.4 | 0 | 0 | 0 | 112 | F38 | F38-L40 HydrophobicContact CE1-CB 4.21Å; F38-L40 HydrophobicContact CE1-CD1 3.98Å; F38-L40 HydrophobicContact CE2-CD1 4.17Å; F38-L40 HydrophobicContact CZ-CD1 3.55Å |
| 41 | D | 82.1 | Confident | 86.1 | Confident | 147 Ų | 147 | 121.7 Ų | 121.7 | 79% | 0.786 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -107.3 | 71 | -179 | -169.5 | 11 | 0 | 0 | 0 | 108.3 | P43 | D41-P43 VanDerWaalsContact O-CD 3.24Å; D41-P43 WeakPolarHBondContact O-CD 3.24Å |
| 42 | R | 79 | Confident | 86.6 | Confident | 182 Ų | 182 | 119 Ų | 119 | 69% | 0.687 | 61% | 0.607 | S | S | * | * | | | trans | -74.1 | 116.7 | 170.7 | -173.9 | 173.4 | -166.8 | -107.8 | 2.1 | 105.8 | C44 | R42-C44 VanDerWaalsContact C-N 3.31Å; R42-C44 PolarHBondContact O-N 3.5Å |
| 43 | P | 72.7 | Confident | 86.9 | Confident | 122 Ų | 122 | 117.9 Ų | 117.9 | 79% | 0.792 | 59% | 0.593 | S | S | * | * | | | trans | -62.2 | 100.2 | 171.9 | 24.7 | -31.5 | 0 | 0 | 0 | 107.5 | D41 | D41-P43 VanDerWaalsContact O-CD 3.24Å; D41-P43 WeakPolarHBondContact O-CD 3.24Å |
| 44 | C | 77.9 | Confident | 87.2 | Confident | 64 Ų | 64 | 119.5 Ų | 119.5 | 43% | 0.432 | 60% | 0.596 | S | S | . | * | | | trans | -102.1 | 137.3 | 172.8 | -155 | 0 | 0 | 0 | 0 | 108 | R42 E46 E49 | R42-C44 VanDerWaalsContact C-N 3.31Å; R42-C44 PolarHBondContact O-N 3.5Å; C44-E46 VanDerWaalsContact C-N 3.33Å; C44-E46 PolarHBondContact O-N 2.8Å; C44-E49 PolarHBondContact SG-OE2 2.99Å |
| 45 | V | 80.8 | Confident | 87.6 | Confident | 90 Ų | 90 | 122.7 Ų | 122.7 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | | | trans | -88.2 | 84.5 | 170.7 | -177 | 0 | 0 | 0 | 0 | 106.6 | E47 T48 E49 | V45-E47 PolarHBondContact O-N 3.01Å; V45-T48 HydrophobicContact CB-CG2 4.47Å; V45-T48 WeakPolarHBondContact CB-OG1 3.4Å; V45-T48 HydrophobicContact CG1-CG2 3.64Å; V45-T48 WeakPolarHBondContact CG1-OG1 3.48Å; V45-T48 PolarHBondContact O-N 3.23Å; V45-T48 VanDerWaalsContact O-N 3.11Å; V45-T48 PolarHBondContact O-OG1 2.76Å; V45-E49 PolarHBondContact O-N 2.74Å |
| 46 | E | 84.6 | Confident | 88.2 | Confident | 160 Ų | 160 | 125 Ų | 125 | 75% | 0.748 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -50.7 | -42.6 | -175.8 | -176.8 | 175.4 | -135.6 | 0 | 0 | 112.3 | C44 T48 E49 L50 | C44-E46 VanDerWaalsContact C-N 3.33Å; C44-E46 PolarHBondContact O-N 2.8Å; E46-T48 PolarHBondContact O-N 3.41Å; E46-E49 PolarHBondContact O-N 3.11Å; E46-L50 WeakPolarHBondContact O-CB 3.42Å; E46-L50 PolarHBondContact O-N 2.77Å |
| 47 | E | 91.9 | Very high | 88.9 | Confident | 155 Ų | 155 | 121.8 Ų | 121.8 | 72% | 0.724 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -57.5 | -45 | 179 | -176.2 | -175.6 | 83 | 0 | 0 | 112.9 | V45 Q51 | V45-E47 PolarHBondContact O-N 3.01Å; E47-Q51 WeakPolarHBondContact O-CB 3.41Å; E47-Q51 PolarHBondContact O-N 3.26Å |
| 48 | T | 92 | Very high | 89.5 | Confident | 75 Ų | 75 | 119 Ų | 119 | 46% | 0.46 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.5 | -30.8 | -178.2 | 57.8 | 0 | 0 | 0 | 0 | 112.7 | V45 E46 Q52 | V45-T48 HydrophobicContact CB-CG2 4.47Å; V45-T48 WeakPolarHBondContact CB-OG1 3.4Å; V45-T48 HydrophobicContact CG1-CG2 3.64Å; V45-T48 WeakPolarHBondContact CG1-OG1 3.48Å; V45-T48 PolarHBondContact O-N 3.23Å; V45-T48 VanDerWaalsContact O-N 3.11Å; V45-T48 PolarHBondContact O-OG1 2.76Å; E46-T48 PolarHBondContact O-N 3.41Å; T48-Q52 WeakPolarHBondContact O-CB 3.33Å; T48-Q52 PolarHBondContact O-N 3.11Å; T48-Q52 VanDerWaalsContact O-N 3.1Å |
| 49 | E | 92.8 | Very high | 90.1 | Very high | 98 Ų | 98 | 116.8 Ų | 116.8 | 46% | 0.458 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.9 | -46.6 | 175 | -179.4 | 172.4 | -173.6 | 0 | 0 | 110.2 | C44 V45 E46 Q52 Q53 | C44-E49 PolarHBondContact SG-OE2 2.99Å; V45-E49 PolarHBondContact O-N 2.74Å; E46-E49 PolarHBondContact O-N 3.11Å; E49-Q52 WeakPolarHBondContact O-CB 3.44Å; E49-Q52 PolarHBondContact O-N 3.24Å; E49-Q53 WeakPolarHBondContact O-CG 3.46Å; E49-Q53 PolarHBondContact O-N 2.93Å |
| 50 | L | 94.6 | Very high | 90.8 | Very high | 88 Ų | 88 | 117.5 Ų | 117.5 | 46% | 0.461 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.5 | -49.1 | 176.5 | -175.5 | 64.3 | 0 | 0 | 0 | 111.3 | E46 Q52 Q53 E54 | E46-L50 WeakPolarHBondContact O-CB 3.42Å; E46-L50 PolarHBondContact O-N 2.77Å; L50-Q52 VanDerWaalsContact C-N 3.25Å; L50-Q52 PolarHBondContact O-N 3.22Å; L50-Q53 PolarHBondContact O-N 3.4Å; L50-E54 WeakPolarHBondContact O-CG 3.5Å; L50-E54 PolarHBondContact O-N 2.9Å |
| 51 | Q | 96.6 | Very high | 91.6 | Very high | 126 Ų | 126 | 113.9 Ų | 113.9 | 59% | 0.589 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.4 | -37.8 | 177.4 | 180 | 174.5 | 69.3 | 0 | 0 | 112.4 | E47 Q55 | E47-Q51 WeakPolarHBondContact O-CB 3.41Å; E47-Q51 PolarHBondContact O-N 3.26Å; Q51-Q55 WeakPolarHBondContact O-CB 3.47Å; Q51-Q55 PolarHBondContact O-N 3.04Å |
| 52 | Q | 96.9 | Very high | 92.4 | Very high | 141 Ų | 141 | 111.9 Ų | 111.9 | 66% | 0.659 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.6 | -44.4 | 175.7 | 177.5 | -179.4 | 106.6 | 0 | 0 | 111.5 | T48 E49 L50 Q55 Q56 | T48-Q52 WeakPolarHBondContact O-CB 3.33Å; T48-Q52 PolarHBondContact O-N 3.11Å; T48-Q52 VanDerWaalsContact O-N 3.1Å; E49-Q52 WeakPolarHBondContact O-CB 3.44Å; E49-Q52 PolarHBondContact O-N 3.24Å; L50-Q52 VanDerWaalsContact C-N 3.25Å; L50-Q52 PolarHBondContact O-N 3.22Å; Q52-Q55 PolarHBondContact O-N 3.37Å; Q52-Q56 WeakPolarHBondContact O-CB 3.44Å; Q52-Q56 PolarHBondContact O-N 2.84Å |
| 53 | Q | 97.3 | Very high | 93.2 | Very high | 111 Ų | 111 | 106.5 Ų | 106.5 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 178.7 | -72.3 | -176.5 | -28.9 | 0 | 0 | 111.5 | E49 L50 Q55 Q56 H57 | E49-Q53 WeakPolarHBondContact O-CG 3.46Å; E49-Q53 PolarHBondContact O-N 2.93Å; L50-Q53 PolarHBondContact O-N 3.4Å; Q53-Q55 VanDerWaalsContact C-N 3.35Å; Q53-Q55 PolarHBondContact O-N 3.07Å; Q53-Q56 PolarHBondContact O-N 3.23Å; Q53-H57 WeakPolarHBondContact O-CB 3.45Å; Q53-H57 PolarHBondContact O-N 3.1Å |
| 54 | E | 97.8 | Very high | 94.4 | Very high | 111 Ų | 111 | 105.1 Ų | 105.1 | 52% | 0.519 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 175.8 | -71.4 | 175.8 | 167.1 | 0 | 0 | 111.3 | L50 Q56 H57 Q58 | L50-E54 WeakPolarHBondContact O-CG 3.5Å; L50-E54 PolarHBondContact O-N 2.9Å; E54-Q56 VanDerWaalsContact C-N 3.34Å; E54-Q56 PolarHBondContact O-N 3.26Å; E54-H57 WeakPolarHBondContact O-CB 3.41Å; E54-H57 PolarHBondContact O-N 2.95Å; E54-Q58 VanDerWaalsContact O-CG 3.31Å; E54-Q58 WeakPolarHBondContact O-CG 3.48Å; E54-Q58 PolarHBondContact O-N 3.36Å |
| 55 | Q | 98.3 | Very high | 95.3 | Very high | 142 Ų | 142 | 106 Ų | 106 | 66% | 0.664 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | 178 | -176.4 | 172.6 | 80.4 | 0 | 0 | 112 | Q51 Q52 Q53 H57 Q58 A59 | Q51-Q55 WeakPolarHBondContact O-CB 3.47Å; Q51-Q55 PolarHBondContact O-N 3.04Å; Q52-Q55 PolarHBondContact O-N 3.37Å; Q53-Q55 VanDerWaalsContact C-N 3.35Å; Q53-Q55 PolarHBondContact O-N 3.07Å; Q55-H57 VanDerWaalsContact C-N 3.31Å; Q55-H57 PolarHBondContact O-N 2.92Å; Q55-Q58 PolarHBondContact O-N 2.92Å; Q55-A59 WeakPolarHBondContact O-CB 3.46Å; Q55-A59 PolarHBondContact O-N 3.22Å |
| 56 | Q | 98.3 | Very high | 95.9 | Very high | 148 Ų | 148 | 107.9 Ų | 107.9 | 69% | 0.692 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 176.1 | -162.2 | -155.2 | 5.9 | 0 | 0 | 111 | Q52 Q53 E54 A59 W60 | Q52-Q56 WeakPolarHBondContact O-CB 3.44Å; Q52-Q56 PolarHBondContact O-N 2.84Å; Q53-Q56 PolarHBondContact O-N 3.23Å; E54-Q56 VanDerWaalsContact C-N 3.34Å; E54-Q56 PolarHBondContact O-N 3.26Å; Q56-A59 PolarHBondContact O-N 3.47Å; Q56-W60 WeakPolarHBondContact O-CB 3.42Å; Q56-W60 PolarHBondContact O-N 3.18Å |
| 57 | H | 98.1 | Very high | 96.4 | Very high | 92 Ų | 92 | 106.9 Ų | 106.9 | 43% | 0.426 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | 176.9 | -178.3 | -111.5 | 0 | 0 | 0 | 111.6 | Q53 E54 Q55 A59 W60 L61 | Q53-H57 WeakPolarHBondContact O-CB 3.45Å; Q53-H57 PolarHBondContact O-N 3.1Å; E54-H57 WeakPolarHBondContact O-CB 3.41Å; E54-H57 PolarHBondContact O-N 2.95Å; Q55-H57 VanDerWaalsContact C-N 3.31Å; Q55-H57 PolarHBondContact O-N 2.92Å; H57-A59 PolarHBondContact O-N 2.96Å; H57-W60 AromaticContact CD2-CE3 3.55Å; H57-W60 AromaticContact CD2-CZ3 3.69Å; H57-W60 AromaticContact NE2-CE3 3.83Å; H57-W60 AromaticContact NE2-CZ3 3.56Å; H57-W60 WeakPolarHBondContact O-CB 3.33Å; H57-W60 PolarHBondContact O-N 2.97Å; H57-L61 WeakPolarHBondContact O-CG 3.44Å; H57-L61 PolarHBondContact O-N 3.25Å |
| 58 | Q | 98.5 | Very high | 96.4 | Very high | 105 Ų | 105 | 104.1 Ų | 104.1 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 175.3 | -70.1 | -59.3 | -26 | 0 | 0 | 112.1 | E54 Q55 W60 L61 Q62 | E54-Q58 VanDerWaalsContact O-CG 3.31Å; E54-Q58 WeakPolarHBondContact O-CG 3.48Å; E54-Q58 PolarHBondContact O-N 3.36Å; Q55-Q58 PolarHBondContact O-N 2.92Å; Q58-W60 VanDerWaalsContact C-N 3.28Å; Q58-W60 PolarHBondContact O-N 3.38Å; Q58-L61 PolarHBondContact O-N 3.07Å; Q58-Q62 WeakPolarHBondContact O-CG 3.48Å; Q58-Q62 PolarHBondContact O-N 2.85Å |
| 59 | A | 98 | Very high | 96.3 | Very high | 54 Ų | 54 | 107.1 Ų | 107.1 | 45% | 0.446 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -63.3 | -36.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q55 Q56 H57 S63 | Q55-A59 WeakPolarHBondContact O-CB 3.46Å; Q55-A59 PolarHBondContact O-N 3.22Å; Q56-A59 PolarHBondContact O-N 3.47Å; H57-A59 PolarHBondContact O-N 2.96Å; A59-S63 WeakPolarHBondContact O-CB 3.47Å; A59-S63 PolarHBondContact O-N 3.4Å |
| 60 | W | 98.2 | Very high | 96.1 | Very high | 109 Ų | 109 | 108.1 Ų | 108.1 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67 | -44.1 | 175.4 | 171.2 | 67.2 | 0 | 0 | 0 | 112 | Q56 H57 Q58 Q62 S63 I64 I141 | Q56-W60 WeakPolarHBondContact O-CB 3.42Å; Q56-W60 PolarHBondContact O-N 3.18Å; H57-W60 AromaticContact CD2-CE3 3.55Å; H57-W60 AromaticContact CD2-CZ3 3.69Å; H57-W60 AromaticContact NE2-CE3 3.83Å; H57-W60 AromaticContact NE2-CZ3 3.56Å; H57-W60 WeakPolarHBondContact O-CB 3.33Å; H57-W60 PolarHBondContact O-N 2.97Å; Q58-W60 VanDerWaalsContact C-N 3.28Å; Q58-W60 PolarHBondContact O-N 3.38Å; W60-Q62 PolarHBondContact O-N 3.45Å; W60-S63 WeakPolarHBondContact O-CB 3.22Å; W60-S63 PolarHBondContact O-N 2.93Å; W60-I64 HydrophobicContact CD2-CD1 3.93Å; W60-I64 VanDerWaalsContact CE2-CD1 3.42Å; W60-I64 HydrophobicContact CE3-CD1 4.47Å; W60-I64 HydrophobicContact CG-CD1 4.41Å; W60-I64 HydrophobicContact CH2-CD1 4.18Å; W60-I64 HydrophobicContact CZ2-CD1 3.58Å; W60-I64 WeakPolarHBondContact O-CG1 3.31Å; W60-I64 PolarHBondContact O-N 3.38Å; W60-I141 WeakPolarHBondContact CH2-OXT 3.49Å; W60-I141 WeakPolarHBondContact CZ2-OXT 3.22Å |
| 61 | L | 97.9 | Very high | 95.7 | Very high | 71 Ų | 71 | 109.3 Ų | 109.3 | 37% | 0.372 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -44.1 | 174.2 | -69.4 | 178.4 | 0 | 0 | 0 | 112.1 | H57 Q58 S63 I64 A65 | H57-L61 WeakPolarHBondContact O-CG 3.44Å; H57-L61 PolarHBondContact O-N 3.25Å; Q58-L61 PolarHBondContact O-N 3.07Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-S63 PolarHBondContact O-N 3.23Å; L61-I64 WeakPolarHBondContact O-CB 3.39Å; L61-I64 PolarHBondContact O-N 2.92Å; L61-I64 VanDerWaalsContact O-N 3.12Å; L61-A65 PolarHBondContact O-N 3.25Å |
| 62 | Q | 97.8 | Very high | 95.2 | Very high | 106 Ų | 106 | 106.7 Ų | 106.7 | 50% | 0.495 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 175.2 | -72.2 | 173.3 | 23.2 | 0 | 0 | 111.4 | Q58 W60 I64 A65 E66 | Q58-Q62 WeakPolarHBondContact O-CG 3.48Å; Q58-Q62 PolarHBondContact O-N 2.85Å; W60-Q62 PolarHBondContact O-N 3.45Å; Q62-I64 PolarHBondContact O-N 3.44Å; Q62-A65 PolarHBondContact O-N 3.46Å; Q62-E66 WeakPolarHBondContact O-CB 3.05Å; Q62-E66 PolarHBondContact O-N 3.49Å |
| 63 | S | 97.2 | Very high | 94.8 | Very high | 69 Ų | 69 | 103.8 Ų | 103.8 | 48% | 0.483 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.9 | -28.4 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 113.3 | A59 W60 L61 K67 | A59-S63 WeakPolarHBondContact O-CB 3.47Å; A59-S63 PolarHBondContact O-N 3.4Å; W60-S63 WeakPolarHBondContact O-CB 3.22Å; W60-S63 PolarHBondContact O-N 2.93Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-S63 PolarHBondContact O-N 3.23Å; S63-K67 WeakPolarHBondContact O-CB 3.39Å; S63-K67 PolarHBondContact O-N 2.94Å |
| 64 | I | 96.8 | Very high | 94.4 | Very high | 92 Ų | 92 | 107.3 Ų | 107.3 | 47% | 0.472 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -76.9 | -47.7 | 174.6 | -67.8 | 166 | 0 | 0 | 0 | 109.9 | W60 L61 Q62 E66 K67 | W60-I64 HydrophobicContact CD2-CD1 3.93Å; W60-I64 VanDerWaalsContact CE2-CD1 3.42Å; W60-I64 HydrophobicContact CE3-CD1 4.47Å; W60-I64 HydrophobicContact CG-CD1 4.41Å; W60-I64 HydrophobicContact CH2-CD1 4.18Å; W60-I64 HydrophobicContact CZ2-CD1 3.58Å; W60-I64 WeakPolarHBondContact O-CG1 3.31Å; W60-I64 PolarHBondContact O-N 3.38Å; L61-I64 WeakPolarHBondContact O-CB 3.39Å; L61-I64 PolarHBondContact O-N 2.92Å; L61-I64 VanDerWaalsContact O-N 3.12Å; Q62-I64 PolarHBondContact O-N 3.44Å; I64-E66 VanDerWaalsContact C-N 3.34Å; I64-E66 PolarHBondContact O-N 2.98Å; I64-K67 VanDerWaalsContact O-CB 3.22Å; I64-K67 WeakPolarHBondContact O-CB 3.5Å; I64-K67 PolarHBondContact O-N 3.08Å |
| 65 | A | 96.1 | Very high | 93.9 | Very high | 83 Ų | 83 | 105.9 Ų | 105.9 | 69% | 0.686 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -62.7 | -40.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L61 Q62 K67 | L61-A65 PolarHBondContact O-N 3.25Å; Q62-A65 PolarHBondContact O-N 3.46Å; A65-K67 VanDerWaalsContact C-N 3.34Å |
| 66 | E | 94.9 | Very high | 93 | Very high | 129 Ų | 129 | 104.9 Ų | 104.9 | 60% | 0.603 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 6 | -176.1 | -61.5 | 175.6 | -173.4 | 0 | 0 | 112.8 | Q62 I64 D68 N69 | Q62-E66 WeakPolarHBondContact O-CB 3.05Å; Q62-E66 PolarHBondContact O-N 3.49Å; I64-E66 VanDerWaalsContact C-N 3.34Å; I64-E66 PolarHBondContact O-N 2.98Å; E66-D68 PolarHBondContact O-N 3.4Å; E66-D68 VanDerWaalsContact O-N 3.08Å; E66-N69 WeakPolarHBondContact O-CB 3.37Å; E66-N69 PolarHBondContact O-N 3.35Å |
| 67 | K | 95.3 | Very high | 91.9 | Very high | 140 Ų | 140 | 101.5 Ų | 101.5 | 61% | 0.609 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.8 | 120.2 | 179.1 | -172.4 | 81.3 | 178.9 | -169.5 | 0 | 109.4 | S63 I64 A65 N69 | S63-K67 WeakPolarHBondContact O-CB 3.39Å; S63-K67 PolarHBondContact O-N 2.94Å; I64-K67 VanDerWaalsContact O-CB 3.22Å; I64-K67 WeakPolarHBondContact O-CB 3.5Å; I64-K67 PolarHBondContact O-N 3.08Å; A65-K67 VanDerWaalsContact C-N 3.34Å; K67-N69 PolarHBondContact O-N 3.2Å; K67-N69 VanDerWaalsContact O-N 3.09Å |
| 68 | D | 91.3 | Very high | 90.4 | Very high | 97 Ų | 97 | 101.4 Ų | 101.4 | 52% | 0.519 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 62.1 | 17.9 | 171.8 | -62.5 | -33.1 | 0 | 0 | 0 | 114.5 | E66 N70 L71 | E66-D68 PolarHBondContact O-N 3.4Å; E66-D68 VanDerWaalsContact O-N 3.08Å; D68-N70 PolarHBondContact O-N 2.92Å; D68-L71 HydrophobicContact CB-CD1 3.5Å; D68-L71 HydrophobicContact CB-CG 4.49Å; D68-L71 WeakPolarHBondContact O-CB 3.47Å; D68-L71 PolarHBondContact O-N 3.23Å |
| 69 | N | 90.7 | Very high | 88.9 | Confident | 137 Ų | 137 | 100.9 Ų | 100.9 | 73% | 0.733 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | -33 | -179.4 | -177.7 | -88.3 | 0 | 0 | 0 | 113 | E66 K67 L71 | E66-N69 WeakPolarHBondContact O-CB 3.37Å; E66-N69 PolarHBondContact O-N 3.35Å; K67-N69 PolarHBondContact O-N 3.2Å; K67-N69 VanDerWaalsContact O-N 3.09Å; N69-L71 PolarHBondContact O-N 3.12Å |
| 70 | N | 88.1 | Confident | 86.9 | Confident | 119 Ų | 119 | 104.5 Ų | 104.5 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 1.7 | 179 | 66.9 | -40.1 | 0 | 0 | 0 | 114.3 | D68 | D68-N70 PolarHBondContact O-N 2.92Š|
| 71 | L | 86.8 | Confident | 85.1 | Confident | 114 Ų | 114 | 106 Ų | 106 | 60% | 0.597 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 118 | 177.5 | -80.9 | 158.4 | 0 | 0 | 0 | 111 | D68 N69 | D68-L71 HydrophobicContact CB-CD1 3.5Å; D68-L71 HydrophobicContact CB-CG 4.49Å; D68-L71 WeakPolarHBondContact O-CB 3.47Å; D68-L71 PolarHBondContact O-N 3.23Å; N69-L71 PolarHBondContact O-N 3.12Å |
| 72 | V | 85.8 | Confident | 83 | Confident | 71 Ų | 71 | 112.8 Ų | 112.8 | 43% | 0.43 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -68 | 127.8 | 174.3 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | K76 | V72-K76 HydrophobicContact CG1-CB 3.75Š|
| 73 | P | 88.5 | Confident | 81.1 | Confident | 79 Ų | 79 | 115 Ų | 115 | 51% | 0.513 | 64% | 0.638 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 150 | 179.7 | 27.3 | -34.8 | 0 | 0 | 0 | 111.4 | G75 K76 | P73-G75 PolarHBondContact O-N 2.88Å; P73-G75 VanDerWaalsContact O-N 3.17Å; P73-K76 HydrophobicContact CG-CB 4.42Å; P73-K76 HydrophobicContact CG-CD 3.8Å; P73-K76 HydrophobicContact CG-CG 4.02Å; P73-K76 PolarHBondContact O-N 3.46Å |
| 74 | I | 88.1 | Confident | 79 | Confident | 186 Ų | 186 | 118.6 Ų | 118.6 | 95% | 0.954 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | 123.5 | 178.7 | -59.4 | 173.9 | 0 | 0 | 0 | 109.4 | | |
| 75 | G | 87.3 | Confident | 77.1 | Confident | 80 Ų | 80 | 123 Ų | 123 | 83% | 0.825 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 105.8 | -9.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P73 | P73-G75 PolarHBondContact O-N 2.88Å; P73-G75 VanDerWaalsContact O-N 3.17Å |
| 76 | K | 78.8 | Confident | 75 | Confident | 122 Ų | 122 | 127 Ų | 127 | 53% | 0.53 | 68% | 0.675 | S | S | . | * | S | Bend | trans | -92.3 | 138.8 | 168.1 | -70.1 | -164.5 | 174.6 | -164.5 | 0 | 111.3 | V72 P73 | V72-K76 HydrophobicContact CG1-CB 3.75Å; P73-K76 HydrophobicContact CG-CB 4.42Å; P73-K76 HydrophobicContact CG-CD 3.8Å; P73-K76 HydrophobicContact CG-CG 4.02Å; P73-K76 PolarHBondContact O-N 3.46Å |
| 77 | P | 76.1 | Confident | 72.9 | Confident | 77 Ų | 77 | 129 Ų | 129 | 50% | 0.5 | 68% | 0.684 | S | S | . | * | | | trans | -66.5 | 140.3 | 174.9 | 28.7 | -33 | 0 | 0 | 0 | 110.3 | S79 | P77-S79 PolarHBondContact O-N 2.97Š|
| 78 | A | 66.7 | Low | 70.9 | Confident | 89 Ų | 89 | 130 Ų | 130 | 74% | 0.736 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 4.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 79 | S | 66.1 | Low | 69.6 | Low | 94 Ų | 94 | 133.1 Ų | 133.1 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 0.6 | -175.3 | 61.4 | 0 | 0 | 0 | 0 | 114.7 | P77 | P77-S79 PolarHBondContact O-N 2.97Š|
| 80 | E | 57.7 | Low | 68.2 | Low | 130 Ų | 130 | 132 Ų | 132 | 61% | 0.607 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -82.3 | -8.2 | -174.7 | -116.1 | 174.7 | -173.8 | 0 | 0 | 114.7 | Y82 | E80-Y82 PolarHBondContact O-N 3.3Š|
| 81 | H | 59 | Low | 66.7 | Low | 142 Ų | 142 | 134.9 Ų | 134.9 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -83.7 | 0.6 | -172.1 | -160.9 | -24.5 | 0 | 0 | 0 | 114.8 | | |
| 82 | Y | 54.8 | Low | 65.7 | Low | 212 Ų | 212 | 137.3 Ų | 137.3 | 83% | 0.831 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -103 | 9.7 | -172.1 | -75 | -70.5 | 0 | 0 | 0 | 115.9 | E80 | E80-Y82 PolarHBondContact O-N 3.3Š|
| 83 | D | 56.6 | Low | 64.7 | Low | 154 Ų | 154 | 140.1 Ų | 140.1 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | | | trans | -152.7 | 61.8 | -170.9 | -140.6 | 17.9 | 0 | 0 | 0 | 113 | | |
| 84 | D | 53.2 | Low | 63.3 | Low | 143 Ų | 143 | 144.1 Ų | 144.1 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | | | trans | -146.9 | 53.7 | 162.2 | -142.2 | 21.1 | 0 | 0 | 0 | 108.7 | | |
| 85 | E | 56.6 | Low | 62.2 | Low | 185 Ų | 185 | 141.2 Ų | 141.2 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | | | trans | -80.5 | 130 | 155.3 | -65.8 | -163.1 | -170.4 | 0 | 0 | 106.9 | | |
| 86 | E | 54.1 | Low | 61.1 | Low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | | | trans | 91.1 | 79.5 | 173.2 | -51 | -171 | -164.3 | 0 | 0 | 117.3 | | |
| 87 | E | 49.8 | Very low | 60.3 | Low | 169 Ų | 169 | 144.5 Ų | 144.5 | 79% | 0.79 | 75% | 0.745 | S | S | * | * | | | trans | -116 | 94.9 | 139.9 | -69 | -71.2 | 177.9 | 0 | 0 | 106.6 | D89 | E87-D89 PolarHBondContact O-N 3.07Š|
| 88 | E | 54 | Low | 59.5 | Low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.752 | 76% | 0.759 | S | S | * | * | | | trans | -72.5 | 100.8 | 160.8 | -64.8 | -144.3 | 162.9 | 0 | 0 | 107.2 | D90 | E88-D90 VanDerWaalsContact C-N 3.32Å; E88-D90 PolarHBondContact O-N 3.46Å |
| 89 | D | 62.8 | Low | 59.4 | Low | 163 Ų | 163 | 150.8 Ų | 150.8 | 87% | 0.872 | 76% | 0.756 | S | S | * | * | | | trans | -87.4 | 82.4 | 167.8 | -157.4 | 21.9 | 0 | 0 | 0 | 108.2 | E87 | E87-D89 PolarHBondContact O-N 3.07Š|
| 90 | D | 61.7 | Low | 59.3 | Low | 115 Ų | 115 | 151 Ų | 151 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | | | trans | -67.4 | 125.6 | 165.4 | -91.7 | -27.5 | 0 | 0 | 0 | 109.7 | E88 | E88-D90 VanDerWaalsContact C-N 3.32Å; E88-D90 PolarHBondContact O-N 3.46Å |
| 91 | E | 57.3 | Low | 59.5 | Low | 179 Ų | 179 | 152.4 Ų | 152.4 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | trans | 75.2 | 105.9 | 154.4 | -54.3 | -176.3 | -161.9 | 0 | 0 | 119.3 | | |
| 92 | D | 64.4 | Low | 59.5 | Low | 165 Ų | 165 | 152 Ų | 152 | 88% | 0.882 | 77% | 0.767 | S | S | * | * | | | | -137.4 | 97.8 | 127.4 | -152.7 | 19.1 | 0 | 0 | 0 | 109.5 | | |
| 93 | D | 66.2 | Low | 59.8 | Low | 129 Ų | 129 | 148.7 Ų | 148.7 | 69% | 0.69 | 76% | 0.764 | S | S | * | * | | | trans | -77.4 | 145.5 | 163.3 | -169.5 | 12.4 | 0 | 0 | 0 | 108.2 | | |
| 94 | E | 58.8 | Low | 60.2 | Low | 164 Ų | 164 | 147.6 Ų | 147.6 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | | | trans | 81.8 | 97.6 | 169 | -44.3 | -159.9 | -164.6 | 0 | 0 | 118.5 | | |
| 95 | D | 63.6 | Low | 60.7 | Low | 124 Ų | 124 | 148 Ų | 148 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | | | | -165.2 | 101.5 | 100.7 | -152.1 | -5 | 0 | 0 | 0 | 111.1 | E97 | D95-E97 PolarHBondContact O-N 3.32Š|
| 96 | S | 65.1 | Low | 61 | Low | 119 Ų | 119 | 147.6 Ų | 147.6 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | | | trans | -89.3 | 81.7 | 164.8 | -64.4 | 0 | 0 | 0 | 0 | 107.8 | E98 | S96-E98 PolarHBondContact O-N 3.09Š|
| 97 | E | 61.7 | Low | 61.5 | Low | 152 Ų | 152 | 148.1 Ų | 148.1 | 71% | 0.71 | 76% | 0.759 | S | S | * | * | | | trans | -68.3 | 87.1 | 164.5 | -68.3 | -73.9 | -164.1 | 0 | 0 | 107.4 | D95 D99 | D95-E97 PolarHBondContact O-N 3.32Å; E97-D99 PolarHBondContact O-N 3.24Å |
| 98 | E | 60.4 | Low | 62 | Low | 173 Ų | 173 | 146 Ų | 146 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | | | trans | -63.9 | 83.5 | 163.3 | -176.7 | 171.1 | -175.7 | 0 | 0 | 107.7 | S96 S100 | S96-E98 PolarHBondContact O-N 3.09Å; E98-S100 VanDerWaalsContact C-N 3.27Å; E98-S100 PolarHBondContact O-N 3.46Å |
| 99 | D | 63.4 | Low | 62.4 | Low | 125 Ų | 125 | 146.6 Ų | 146.6 | 67% | 0.668 | 76% | 0.757 | S | S | * | * | | | trans | -80.1 | 84.3 | 168.2 | -162.7 | 25.4 | 0 | 0 | 0 | 108.8 | E97 E101 | E97-D99 PolarHBondContact O-N 3.24Å; D99-E101 VanDerWaalsContact C-N 3.28Å; D99-E101 PolarHBondContact O-N 3.2Å; D99-E101 VanDerWaalsContact O-N 3.15Å; D99-E101 WeakPolarHBondContact OD1-CG 3.47Å |
| 100 | S | 64.3 | Low | 62.2 | Low | 99 Ų | 99 | 146.7 Ų | 146.7 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | | | trans | -77.4 | 78.7 | 165.8 | 62 | 0 | 0 | 0 | 0 | 109.4 | E98 | E98-S100 VanDerWaalsContact C-N 3.27Å; E98-S100 PolarHBondContact O-N 3.46Å |
| 101 | E | 61.3 | Low | 62.3 | Low | 160 Ų | 160 | 148.8 Ų | 148.8 | 75% | 0.748 | 76% | 0.764 | S | S | * | * | | | trans | -88.8 | 91.8 | 159.9 | -64.8 | -167.2 | 147.9 | 0 | 0 | 107.1 | D99 | D99-E101 VanDerWaalsContact C-N 3.28Å; D99-E101 PolarHBondContact O-N 3.2Å; D99-E101 VanDerWaalsContact O-N 3.15Å; D99-E101 WeakPolarHBondContact OD1-CG 3.47Å |
| 102 | D | 59.2 | Low | 62.7 | Low | 133 Ų | 133 | 148.8 Ų | 148.8 | 71% | 0.711 | 77% | 0.766 | S | S | * | * | | | | 86.2 | 110.5 | 94.3 | -160.8 | 31.1 | 0 | 0 | 0 | 111.5 | E104 | D102-E104 VanDerWaalsContact C-N 3.25Å; D102-E104 PolarHBondContact O-N 3.17Å |
| 103 | D | 61.7 | Low | 62.6 | Low | 143 Ų | 143 | 148.6 Ų | 148.6 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | | | trans | -78.9 | 65.4 | -175.8 | -177.1 | 24 | 0 | 0 | 0 | 109.9 | | |
| 104 | E | 64.1 | Low | 62.4 | Low | 131 Ų | 131 | 148.2 Ų | 148.2 | 61% | 0.612 | 76% | 0.763 | S | S | * | * | | | trans | -140.7 | 80.4 | 179.1 | -61.8 | -70.4 | -176.9 | 0 | 0 | 109.9 | D102 | D102-E104 VanDerWaalsContact C-N 3.25Å; D102-E104 PolarHBondContact O-N 3.17Å |
| 105 | D | 63.7 | Low | 62.4 | Low | 152 Ų | 152 | 149.3 Ų | 149.3 | 81% | 0.813 | 76% | 0.762 | S | S | * | * | | | trans | 173.4 | 65.1 | 138.9 | -85.3 | -20 | 0 | 0 | 0 | 111.3 | | |
| 106 | M | 62.6 | Low | 62.1 | Low | 175 Ų | 175 | 149.2 Ų | 149.2 | 86% | 0.862 | 76% | 0.761 | S | S | * | * | | | trans | -100.1 | 13.6 | 161.4 | -70.4 | -72.7 | -174.9 | 0 | 0 | 112.2 | D108 | M106-D108 PolarHBondContact O-N 3.19Š|
| 107 | Q | 64.4 | Low | 62 | Low | 180 Ų | 180 | 151.4 Ų | 151.4 | 84% | 0.841 | 76% | 0.758 | S | S | * | * | | | trans | -98.2 | 63.7 | 176.1 | -68.7 | -178.4 | 42.4 | 0 | 0 | 111.6 | | |
| 108 | D | 61.1 | Low | 62 | Low | 123 Ų | 123 | 149.3 Ų | 149.3 | 66% | 0.658 | 76% | 0.76 | S | S | * | * | | | trans | -161.4 | 44.4 | 150.6 | -149.4 | 3.7 | 0 | 0 | 0 | 114.9 | M106 | M106-D108 PolarHBondContact O-N 3.19Š|
| 109 | M | 62.2 | Low | 62.1 | Low | 174 Ų | 174 | 147.2 Ų | 147.2 | 86% | 0.857 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -109.5 | 7.1 | 172.3 | -113.5 | -70.5 | -173.5 | 0 | 0 | 114 | | |
| 110 | D | 59.6 | Low | 61.8 | Low | 166 Ų | 166 | 147.7 Ų | 147.7 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | S | Bend | trans | -105.7 | 7.1 | 175.9 | -70.4 | -25 | 0 | 0 | 0 | 113.2 | | |
| 111 | E | 63.6 | Low | 61.6 | Low | 158 Ų | 158 | 149.9 Ų | 149.9 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -117.6 | 42.1 | -177.8 | -162.3 | 158.3 | -175.1 | 0 | 0 | 114.4 | | |
| 112 | M | 64.3 | Low | 61.2 | Low | 180 Ų | 180 | 145.3 Ų | 145.3 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | | | trans | -140 | 24.5 | 161.2 | -98 | -62 | -175.2 | 0 | 0 | 113.7 | D114 | M112-D114 VanDerWaalsContact C-N 3.27Å; M112-D114 PolarHBondContact O-N 3.02Å |
| 113 | N | 62.5 | Low | 61 | Low | 160 Ų | 160 | 146.9 Ų | 146.9 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | | | trans | -92.8 | 55.2 | 163.9 | -172 | 30.2 | 0 | 0 | 0 | 110.8 | | |
| 114 | D | 62.3 | Low | 60.8 | Low | 121 Ų | 121 | 147.1 Ų | 147.1 | 65% | 0.647 | 77% | 0.774 | S | S | * | * | | | trans | -134.4 | 96.6 | 172.1 | -148.3 | 31.3 | 0 | 0 | 0 | 111.1 | M112 | M112-D114 VanDerWaalsContact C-N 3.27Å; M112-D114 PolarHBondContact O-N 3.02Å |
| 115 | Y | 58.3 | Low | 60.3 | Low | 188 Ų | 188 | 147.1 Ų | 147.1 | 74% | 0.737 | 78% | 0.777 | S | S | * | * | | | trans | 72.6 | 137.8 | 167.2 | -64.8 | -88.6 | 0 | 0 | 0 | 116.3 | | |
| 116 | N | 58.3 | Low | 59.9 | Low | 121 Ų | 121 | 149.1 Ų | 149.1 | 65% | 0.647 | 78% | 0.782 | S | S | * | * | | | cis | -168.1 | 143.7 | 23.8 | -137.9 | -14.7 | 0 | 0 | 0 | 109.4 | | |
| 117 | E | 63.6 | Low | 59.7 | Low | 165 Ų | 165 | 147.2 Ų | 147.2 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | | | trans | 48.9 | 110.6 | 138 | -148.5 | 154.4 | -143.2 | 0 | 0 | 117.8 | | |
| 118 | S | 60.6 | Low | 58.8 | Low | 108 Ų | 108 | 146.2 Ų | 146.2 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -36.6 | 128.4 | 162.9 | -64.1 | 0 | 0 | 0 | 0 | 110.2 | D120 | S118-D120 PolarHBondContact O-N 2.93Š|
| 119 | P | 62.2 | Low | 58.4 | Low | 130 Ų | 130 | 149.6 Ų | 149.6 | 84% | 0.844 | 79% | 0.794 | S | S | * | * | | | trans | -64 | 96.9 | 160.2 | 24.6 | -27.1 | 0 | 0 | 0 | 106.9 | | |
| 120 | D | 58.7 | Low | 58 | Low | 134 Ų | 134 | 150.1 Ų | 150.1 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | -4.7 | 123 | 143 | -163 | 54.9 | 0 | 0 | 0 | 112.3 | S118 G122 | S118-D120 PolarHBondContact O-N 2.93Å; D120-G122 PolarHBondContact O-N 3.4Å |
| 121 | D | 59.7 | Low | 57.7 | Low | 145 Ų | 145 | 145.3 Ų | 145.3 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | | | trans | -34.2 | 113.2 | 165.3 | 45.9 | -59.3 | 0 | 0 | 0 | 113.6 | | |
| 122 | G | 52.2 | Low | 56.8 | Low | 64 Ų | 64 | 144 Ų | 144 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | trans | -151.2 | 86.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | D120 | D120-G122 PolarHBondContact O-N 3.4Š|
| 123 | E | 55.3 | Low | 56.4 | Low | 166 Ų | 166 | 144.8 Ų | 144.8 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | 40.7 | 91 | 147.3 | -60.1 | -79.1 | 163.5 | 0 | 0 | 116.4 | N125 | E123-N125 PolarHBondContact O-N 2.91Š|
| 124 | V | 57.8 | Low | 56.2 | Low | 149 Ų | 149 | 144.1 Ų | 144.1 | 90% | 0.903 | 78% | 0.776 | S | S | * | * | | | trans | -69.9 | 99.1 | 161 | -67.6 | 0 | 0 | 0 | 0 | 108.5 | E126 | V124-E126 PolarHBondContact O-N 2.86Š|
| 125 | N | 52.7 | Low | 55.9 | Low | 130 Ų | 130 | 143.3 Ų | 143.3 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | | | trans | -62.5 | 124.2 | 168.5 | -71.5 | -76.7 | 0 | 0 | 0 | 108.6 | E123 V127 | E123-N125 PolarHBondContact O-N 2.91Å; N125-V127 PolarHBondContact O-N 3.06Å |
| 126 | E | 55.8 | Low | 55.8 | Low | 195 Ų | 195 | 143.2 Ų | 143.2 | 91% | 0.911 | 78% | 0.778 | S | S | * | * | | | trans | -56.1 | 99.7 | 171.3 | 32.3 | -170.4 | 159.1 | 0 | 0 | 110.2 | V124 | V124-E126 PolarHBondContact O-N 2.86Š|
| 127 | V | 58.1 | Low | 55.8 | Low | 134 Ų | 134 | 144.7 Ų | 144.7 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | | | trans | -97.4 | 119.5 | 166.1 | -82.2 | 0 | 0 | 0 | 0 | 108.8 | N125 M129 | N125-V127 PolarHBondContact O-N 3.06Å; V127-M129 PolarHBondContact O-N 3.15Å |
| 128 | D | 46.1 | Very low | 55.4 | Low | 159 Ų | 159 | 143 Ų | 143 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | | | trans | -41.7 | 127.5 | 178.2 | -108.7 | -60.8 | 0 | 0 | 0 | 113.2 | E130 | D128-E130 PolarHBondContact O-N 3.26Š|
| 129 | M | 53.4 | Low | 55.6 | Low | 194 Ų | 194 | 148.7 Ų | 148.7 | 96% | 0.956 | 78% | 0.783 | S | S | * | * | | | trans | -68.8 | 92.3 | 164.8 | -84.9 | -89.8 | -157.3 | 0 | 0 | 108.8 | V127 | V127-M129 PolarHBondContact O-N 3.15Š|
| 130 | E | 53.5 | Low | 55.1 | Low | 185 Ų | 185 | 151.1 Ų | 151.1 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | | | trans | -122.2 | 100.1 | 162.1 | -166.9 | 142.7 | -139.1 | 0 | 0 | 110.5 | D128 | D128-E130 PolarHBondContact O-N 3.26Š|
| 131 | G | 52.5 | Low | 55.2 | Low | 66 Ų | 66 | 153.7 Ų | 153.7 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | trans | 24.9 | 117.1 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 132 | N | 45.5 | Very low | 55 | Low | 130 Ų | 130 | 154.2 Ų | 154.2 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | | | | -149.4 | 104.7 | 129.8 | -155.4 | 51.4 | 0 | 0 | 0 | 110.8 | Q134 | N132-Q134 VanDerWaalsContact C-N 3.28Å; N132-Q134 PolarHBondContact O-N 3.36Å |
| 133 | E | 56.1 | Low | 55.1 | Low | 196 Ų | 196 | 158.9 Ų | 158.9 | 92% | 0.916 | 81% | 0.806 | S | S | * | * | | | trans | -89.9 | 26.9 | -178.2 | -39.6 | 179.6 | 139.2 | 0 | 0 | 112.4 | | |
| 134 | Q | 58.4 | Low | 55.1 | Low | 147 Ų | 147 | 158.5 Ų | 158.5 | 69% | 0.687 | 81% | 0.807 | S | S | * | * | | | trans | -127.1 | 130.5 | -172.3 | -67.6 | 178.2 | 34.2 | 0 | 0 | 109.4 | N132 | N132-Q134 VanDerWaalsContact C-N 3.28Å; N132-Q134 PolarHBondContact O-N 3.36Å |
| 135 | D | 56 | Low | 55 | Low | 103 Ų | 103 | 159.1 Ų | 159.1 | 55% | 0.551 | 80% | 0.802 | S | S | * | * | | | trans | 114.3 | 24.5 | 169.5 | -58.9 | -44.9 | 0 | 0 | 0 | 118.4 | Q138 | D135-Q138 PolarHBondContact OD1-NE2 3.24Š|
| 136 | Q | 55.9 | Low | 55.1 | Low | 186 Ų | 186 | 160.9 Ų | 160.9 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -86.9 | -8 | 162.7 | -68.7 | -166.2 | 40.7 | 0 | 0 | 114.3 | | |
| 137 | D | 57.5 | Low | 55.1 | Low | 153 Ų | 153 | 158.6 Ų | 158.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 9.4 | -174.2 | -61.5 | -29.6 | 0 | 0 | 0 | 114.7 | | |
| 138 | Q | 56.3 | Low | 54.8 | Low | 128 Ų | 128 | 160.4 Ų | 160.4 | 60% | 0.598 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -5 | -176.4 | -69 | -162.2 | 60.7 | 0 | 0 | 115.1 | D135 | D135-Q138 PolarHBondContact OD1-NE2 3.24Š|
| 139 | W | 64.4 | Low | 55.5 | Low | 229 Ų | 229 | 160.5 Ų | 160.5 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -105 | 5.4 | -172 | -55.9 | 102.7 | 0 | 0 | 0 | 114.7 | | |
| 140 | M | 51.5 | Low | 55.7 | Low | 181 Ų | 181 | 157.7 Ų | 157.7 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | | | trans | -97.9 | 82.2 | 170.7 | -65.2 | -74.1 | -81.1 | 0 | 0 | 108.4 | | |
| 141 | I | 60.8 | Low | 55.9 | Low | 188 Ų | 188 | 155.2 Ų | 155.2 | 96% | 0.964 | 78% | 0.776 | S | S | * | * | | | trans | -122.6 | 0 | 163.7 | -61.2 | 176.5 | 0 | 0 | 0 | 108.4 | W60 | W60-I141 WeakPolarHBondContact CH2-OXT 3.49Å; W60-I141 WeakPolarHBondContact CZ2-OXT 3.22Å |