| 1 | M | 58.2 | Low | 87.1 | Confident | 243 Ų | 243 | 116.4 Ų | 116.4 | 100% | 1.197 | 61% | 0.606 | S | S | * | * | | | | 0 | 37.8 | 0 | -72.3 | -167 | 151.3 | 0 | 0 | 111.5 | | |
| 2 | A | 63.5 | Low | 87.9 | Confident | 83 Ų | 83 | 123.7 Ų | 123.7 | 69% | 0.686 | 62% | 0.62 | S | S | * | * | | | trans | -97.6 | -7.7 | -149.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 3 | D | 85.1 | Confident | 88.6 | Confident | 114 Ų | 114 | 124.8 Ų | 124.8 | 61% | 0.61 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -120.1 | 11.2 | -170 | -57 | -48.2 | 0 | 0 | 0 | 114.5 | R6 L7 | D3-R6 PolarHBondContact O-N 3.2Å; D3-L7 PolarHBondContact O-N 3.22Å; D3-L7 VanDerWaalsContact O-N 3.08Å |
| 4 | N | 92.4 | Very high | 89 | Confident | 105 Ų | 105 | 119.5 Ų | 119.5 | 56% | 0.561 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -67.3 | -38.4 | -178.2 | -161.7 | 3.8 | 0 | 0 | 0 | 111.7 | R6 L7 L8 | N4-R6 PolarHBondContact O-N 3.31Å; N4-L7 PolarHBondContact O-N 3.33Å; N4-L8 VanDerWaalsContact O-CG 3.25Å; N4-L8 WeakPolarHBondContact O-CG 3.39Å; N4-L8 PolarHBondContact O-N 3.45Å |
| 5 | S | 93.2 | Very high | 89.4 | Confident | 77 Ų | 77 | 119.7 Ų | 119.7 | 54% | 0.538 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -59.7 | -46.8 | 175.6 | 48.6 | 0 | 0 | 0 | 0 | 112 | L7 L8 E9 | S5-L7 PolarHBondContact O-N 2.92Å; S5-L8 PolarHBondContact O-N 3.26Å; S5-E9 PolarHBondContact O-N 3.27Å |
| 6 | R | 92.4 | Very high | 89.6 | Confident | 160 Ų | 160 | 125.1 Ų | 125.1 | 60% | 0.604 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.8 | -40.7 | 178.3 | -174.2 | 179.7 | 179.3 | -174.4 | 1.2 | 112.2 | D3 N4 E9 Q10 | D3-R6 PolarHBondContact O-N 3.2Å; N4-R6 PolarHBondContact O-N 3.31Å; R6-E9 PolarHBondContact O-N 2.84Å; R6-Q10 WeakPolarHBondContact O-CG 3.43Å; R6-Q10 PolarHBondContact O-N 3.42Å; R6-Q10 VanDerWaalsContact O-N 3.09Å |
| 7 | L | 94.5 | Very high | 89.8 | Confident | 87 Ų | 87 | 126.2 Ų | 126.2 | 46% | 0.455 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -64 | -42.6 | 175.3 | 177.9 | 62.6 | 0 | 0 | 0 | 111.5 | D3 N4 S5 E9 Q10 I11 | D3-L7 PolarHBondContact O-N 3.22Å; D3-L7 VanDerWaalsContact O-N 3.08Å; N4-L7 PolarHBondContact O-N 3.33Å; S5-L7 PolarHBondContact O-N 2.92Å; L7-E9 VanDerWaalsContact C-N 3.33Å; L7-E9 PolarHBondContact O-N 2.93Å; L7-Q10 PolarHBondContact O-N 3.21Å; L7-I11 HydrophobicContact CD1-CD1 4.19Å; L7-I11 HydrophobicContact CD1-CG1 4.41Å; L7-I11 HydrophobicContact CG-CD1 3.97Å; L7-I11 VanDerWaalsContact O-CG1 3.32Å; L7-I11 WeakPolarHBondContact O-CG1 3.11Å; L7-I11 PolarHBondContact O-N 2.69Å |
| 8 | L | 95.6 | Very high | 90.1 | Very high | 77 Ų | 77 | 132.1 Ų | 132.1 | 40% | 0.403 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -65.5 | -35.8 | 178.4 | -69.7 | 172.1 | 0 | 0 | 0 | 112.2 | N4 S5 I11 R12 | N4-L8 VanDerWaalsContact O-CG 3.25Å; N4-L8 WeakPolarHBondContact O-CG 3.39Å; N4-L8 PolarHBondContact O-N 3.45Å; S5-L8 PolarHBondContact O-N 3.26Å; L8-I11 PolarHBondContact O-N 3.14Å; L8-R12 VanDerWaalsContact O-CG 3.26Å; L8-R12 WeakPolarHBondContact O-CG 3.44Å; L8-R12 PolarHBondContact O-N 3.02Å |
| 9 | E | 94.8 | Very high | 90.2 | Very high | 117 Ų | 117 | 131.8 Ų | 131.8 | 55% | 0.547 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -62 | -48.1 | 170.5 | -76.9 | 171.4 | -175.7 | 0 | 0 | 111.5 | S5 R6 L7 I11 R12 D13 | S5-E9 PolarHBondContact O-N 3.27Å; R6-E9 PolarHBondContact O-N 2.84Å; L7-E9 VanDerWaalsContact C-N 3.33Å; L7-E9 PolarHBondContact O-N 2.93Å; E9-I11 VanDerWaalsContact C-N 3.3Å; E9-I11 PolarHBondContact O-N 2.9Å; E9-R12 WeakPolarHBondContact O-CB 3.48Å; E9-R12 PolarHBondContact O-N 3.1Å; E9-D13 PolarHBondContact O-N 2.93Å |
| 10 | Q | 93.7 | Very high | 90.2 | Very high | 107 Ų | 107 | 131.1 Ų | 131.1 | 50% | 0.5 | 68% | 0.678 | S | S | . | * | H | α-helix | trans | -61.2 | -35.8 | 177.3 | -71.9 | 179.1 | -18.9 | 0 | 0 | 113.5 | R6 L7 G14 | R6-Q10 WeakPolarHBondContact O-CG 3.43Å; R6-Q10 PolarHBondContact O-N 3.42Å; R6-Q10 VanDerWaalsContact O-N 3.09Å; L7-Q10 PolarHBondContact O-N 3.21Å; Q10-G14 PolarHBondContact O-N 3.44Å |
| 11 | I | 94.9 | Very high | 90.2 | Very high | 110 Ų | 110 | 134.2 Ų | 134.2 | 56% | 0.564 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -68.4 | -38.7 | 175.5 | -68.3 | 166.9 | 0 | 0 | 0 | 110.5 | L7 L8 E9 G14 | L7-I11 HydrophobicContact CD1-CD1 4.19Å; L7-I11 HydrophobicContact CD1-CG1 4.41Å; L7-I11 HydrophobicContact CG-CD1 3.97Å; L7-I11 VanDerWaalsContact O-CG1 3.32Å; L7-I11 WeakPolarHBondContact O-CG1 3.11Å; L7-I11 PolarHBondContact O-N 2.69Å; L8-I11 PolarHBondContact O-N 3.14Å; E9-I11 VanDerWaalsContact C-N 3.3Å; E9-I11 PolarHBondContact O-N 2.9Å; I11-G14 PolarHBondContact O-N 3.38Å |
| 12 | R | 96.3 | Very high | 91.4 | Very high | 204 Ų | 204 | 129 Ų | 129 | 77% | 0.77 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -68.1 | -37.4 | 177.1 | -73.8 | 171.2 | -177.5 | 171.1 | 1.1 | 112.4 | L8 E9 G14 | L8-R12 VanDerWaalsContact O-CG 3.26Å; L8-R12 WeakPolarHBondContact O-CG 3.44Å; L8-R12 PolarHBondContact O-N 3.02Å; E9-R12 WeakPolarHBondContact O-CB 3.48Å; E9-R12 PolarHBondContact O-N 3.1Å; R12-G14 PolarHBondContact O-N 3.44Å |
| 13 | D | 96.7 | Very high | 92.4 | Very high | 139 Ų | 139 | 130.9 Ų | 130.9 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -64.6 | -27.3 | 174.3 | -68.6 | -19.4 | 0 | 0 | 0 | 112 | E9 | E9-D13 PolarHBondContact O-N 2.93Å |
| 14 | G | 95.3 | Very high | 92.4 | Very high | 50 Ų | 50 | 130.4 Ų | 130.4 | 52% | 0.515 | 67% | 0.669 | S | S | . | * | | | trans | 76.6 | 164.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q10 I11 R12 | Q10-G14 PolarHBondContact O-N 3.44Å; I11-G14 PolarHBondContact O-N 3.38Å; R12-G14 PolarHBondContact O-N 3.44Å |
| 15 | V | 94 | Very high | 92 | Very high | 123 Ų | 123 | 134.5 Ų | 134.5 | 75% | 0.745 | 68% | 0.681 | S | S | * | * | | | trans | -128.6 | 131.3 | 176.4 | 67 | 0 | 0 | 0 | 0 | 110.6 | L17 | V15-L17 HydrophobicContact CG1-CD2 4.2Å; V15-L17 PolarHBondContact O-N 3.28Å |
| 16 | K | 93.7 | Very high | 91.6 | Very high | 205 Ų | 205 | 135 Ų | 135 | 89% | 0.891 | 69% | 0.685 | S | S | * | * | | | trans | -75.5 | 110.1 | 174.7 | -169.3 | 171.3 | -175.7 | 173.8 | 0 | 109.6 | | |
| 17 | L | 92.9 | Very high | 90.9 | Very high | 144 Ų | 144 | 135.1 Ų | 135.1 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -71 | 149.9 | 173.1 | -58.6 | -179.7 | 0 | 0 | 0 | 110.5 | V15 | V15-L17 HydrophobicContact CG1-CD2 4.2Å; V15-L17 PolarHBondContact O-N 3.28Å |
| 18 | R | 93.7 | Very high | 90.1 | Very high | 232 Ų | 232 | 135.9 Ų | 135.9 | 88% | 0.875 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -64 | 139.4 | 172.2 | -67.6 | -173.2 | -66.7 | 165.9 | -1.2 | 109.4 | V20 | R18-V20 PolarHBondContact O-N 3.01Š|
| 19 | S | 92.1 | Very high | 89.2 | Confident | 128 Ų | 128 | 138.4 Ų | 138.4 | 90% | 0.895 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 123.8 | 171.3 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 20 | V | 91.9 | Very high | 88.3 | Confident | 116 Ų | 116 | 139.8 Ų | 139.8 | 70% | 0.703 | 72% | 0.723 | S | S | * | * | | | trans | -117 | 135 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | R18 T22 | R18-V20 PolarHBondContact O-N 3.01Å; V20-T22 PolarHBondContact O-N 2.87Å |
| 21 | K | 89.8 | Confident | 87.5 | Confident | 198 Ų | 198 | 138.2 Ų | 138.2 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | | | trans | -76.7 | 114.9 | 169.1 | -68.6 | -175.3 | 178.1 | -178.5 | 0 | 108.1 | | |
| 22 | T | 83.4 | Confident | 86.5 | Confident | 132 Ų | 132 | 135.5 Ų | 135.5 | 81% | 0.81 | 71% | 0.712 | S | S | * | * | | | trans | -77.1 | 131.3 | 171.3 | 49.1 | 0 | 0 | 0 | 0 | 108.9 | V20 | V20-T22 PolarHBondContact O-N 2.87Š|
| 23 | V | 84.7 | Confident | 85.6 | Confident | 124 Ų | 124 | 135.2 Ų | 135.2 | 75% | 0.752 | 72% | 0.719 | S | S | * | * | | | trans | -89.9 | 108.1 | 167.1 | -179.8 | 0 | 0 | 0 | 0 | 106.3 | K25 | V23-K25 PolarHBondContact O-N 2.84Š|
| 24 | D | 84 | Confident | 84.7 | Confident | 103 Ų | 103 | 136.2 Ų | 136.2 | 55% | 0.551 | 73% | 0.725 | S | S | * | * | | | trans | -64.9 | 113.9 | 172.8 | -179.6 | 9.4 | 0 | 0 | 0 | 109.3 | S26 | D24-S26 WeakPolarHBondContact OD1-CB 3.4Å; D24-S26 PolarHBondContact OD1-N 3.25Å; D24-S26 PolarHBondContact OD1-OG 3.36Å; D24-S26 PolarHBondContact OD2-OG 3.17Å |
| 25 | K | 84.5 | Confident | 83.6 | Confident | 191 Ų | 191 | 139.7 Ų | 139.7 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | | | trans | -91.5 | 2.2 | 178.8 | -60.9 | -175.2 | -178.8 | -179.3 | 0 | 112.7 | V23 K27 | V23-K25 PolarHBondContact O-N 2.84Å; K25-K27 PolarHBondContact O-N 3.22Å |
| 26 | S | 85.5 | Confident | 82.6 | Confident | 89 Ų | 89 | 137.3 Ų | 137.3 | 62% | 0.622 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -69.6 | -22.6 | -177.8 | 69.6 | 0 | 0 | 0 | 0 | 113.1 | D24 | D24-S26 WeakPolarHBondContact OD1-CB 3.4Å; D24-S26 PolarHBondContact OD1-N 3.25Å; D24-S26 PolarHBondContact OD1-OG 3.36Å; D24-S26 PolarHBondContact OD2-OG 3.17Å |
| 27 | K | 77.8 | Confident | 81.5 | Confident | 161 Ų | 161 | 131.1 Ų | 131.1 | 70% | 0.7 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -91.3 | 118.9 | 177.6 | -63.5 | -176.5 | -176.7 | 179.5 | 0 | 109.9 | K25 L29 | K25-K27 PolarHBondContact O-N 3.22Å; K27-L29 PolarHBondContact O-N 3.28Å |
| 28 | P | 77.6 | Confident | 80.6 | Confident | 104 Ų | 104 | 132 Ų | 132 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | | | trans | -60.7 | 130.4 | 172.8 | 25.3 | -31.8 | 0 | 0 | 0 | 108.9 | I30 | P28-I30 VanDerWaalsContact C-N 3.31Å; P28-I30 HydrophobicContact CG-CG1 4.47Å; P28-I30 PolarHBondContact O-N 3.45Å |
| 29 | L | 76.7 | Confident | 79.1 | Confident | 129 Ų | 129 | 128.4 Ų | 128.4 | 68% | 0.675 | 69% | 0.688 | S | S | * | * | | | trans | -68.3 | 91.6 | 169.2 | -75.6 | 157.6 | 0 | 0 | 0 | 107.7 | K27 L31 L40 | K27-L29 PolarHBondContact O-N 3.28Å; L29-L31 PolarHBondContact O-N 3.2Å; L29-L40 HydrophobicContact CD2-CD1 4.18Å |
| 30 | I | 75.1 | Confident | 77.8 | Confident | 146 Ų | 146 | 127.8 Ų | 127.8 | 75% | 0.749 | 67% | 0.674 | S | S | * | * | | | trans | -80.3 | 99.1 | 170.8 | -55.4 | 173.9 | 0 | 0 | 0 | 106.3 | P28 | P28-I30 VanDerWaalsContact C-N 3.31Å; P28-I30 HydrophobicContact CG-CG1 4.47Å; P28-I30 PolarHBondContact O-N 3.45Å |
| 31 | L | 76.3 | Confident | 76.2 | Confident | 74 Ų | 74 | 128.8 Ų | 128.8 | 39% | 0.387 | 68% | 0.675 | S | S | . | * | | | trans | -76.9 | 124.8 | 168.5 | -63.7 | 161.8 | 0 | 0 | 0 | 107.6 | L29 E35 L37 | L29-L31 PolarHBondContact O-N 3.2Å; L31-E35 HydrophobicContact CD2-CB 4.22Å; L31-L37 HydrophobicContact CD1-CD1 3.69Å; L31-L37 HydrophobicContact CD1-CD2 3.84Å; L31-L37 HydrophobicContact CD1-CG 3.48Å; L31-L37 VanDerWaalsContact CD1-CG 3.48Å; L31-L37 HydrophobicContact CD2-CD2 3.73Å; L31-L37 HydrophobicContact CD2-CG 3.97Å; L31-L37 HydrophobicContact CG-CD2 4.25Å; L31-L37 HydrophobicContact CG-CG 4.32Å |
| 32 | A | 74.1 | Confident | 74.5 | Confident | 54 Ų | 54 | 122 Ų | 122 | 45% | 0.446 | 66% | 0.661 | S | S | . | * | | | trans | -61.8 | 154.8 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | N34 E35 | A32-N34 PolarHBondContact O-N 3.46Å; A32-E35 HydrophobicContact CB-CG 4.08Å; A32-E35 PolarHBondContact O-N 3.2Å |
| 33 | E | 77.3 | Confident | 72.9 | Confident | 197 Ų | 197 | 121.8 Ų | 121.8 | 92% | 0.921 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -2.7 | -170.8 | -66.8 | -179.4 | 164 | 0 | 0 | 115.6 | | |
| 34 | N | 77.9 | Confident | 71.5 | Confident | 160 Ų | 160 | 121.1 Ų | 121.1 | 86% | 0.856 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | 9.4 | 176 | -61.1 | -60.2 | 0 | 0 | 0 | 113.9 | A32 | A32-N34 PolarHBondContact O-N 3.46Š|
| 35 | E | 71.9 | Confident | 70.1 | Confident | 123 Ų | 123 | 120.9 Ų | 120.9 | 58% | 0.575 | 67% | 0.67 | S | S | * | * | | | trans | -93.2 | 117.6 | 177.9 | -71.2 | -178 | 171.4 | 0 | 0 | 110.7 | L31 A32 | L31-E35 HydrophobicContact CD2-CB 4.22Å; A32-E35 HydrophobicContact CB-CG 4.08Å; A32-E35 PolarHBondContact O-N 3.2Å |
| 36 | S | 73 | Confident | 68.2 | Low | 74 Ų | 74 | 117 Ų | 117 | 52% | 0.517 | 67% | 0.667 | S | S | . | * | | | trans | -96.6 | 130 | -179.3 | -160.7 | 0 | 0 | 0 | 0 | 110.9 | K38 | S36-K38 PolarHBondContact O-N 3.01Å; S36-K38 VanDerWaalsContact OG-CE 3.26Å; S36-K38 WeakPolarHBondContact OG-CE 3.36Å; S36-K38 WeakPolarHBondContact OG-CG 3.48Å |
| 37 | L | 71.8 | Confident | 66 | Low | 74 Ų | 74 | 118.2 Ų | 118.2 | 39% | 0.387 | 67% | 0.674 | S | S | . | * | G | 310 helix | trans | -61.9 | 11.4 | 177.8 | -73.9 | 168 | 0 | 0 | 0 | 115.6 | L31 N39 L40 | L31-L37 HydrophobicContact CD1-CD1 3.69Å; L31-L37 HydrophobicContact CD1-CD2 3.84Å; L31-L37 HydrophobicContact CD1-CG 3.48Å; L31-L37 VanDerWaalsContact CD1-CG 3.48Å; L31-L37 HydrophobicContact CD2-CD2 3.73Å; L31-L37 HydrophobicContact CD2-CG 3.97Å; L31-L37 HydrophobicContact CG-CD2 4.25Å; L31-L37 HydrophobicContact CG-CG 4.32Å; L37-N39 PolarHBondContact O-N 3.18Å; L37-L40 HydrophobicContact CD2-CB 4.21Å; L37-L40 HydrophobicContact CD2-CD1 3.47Å; L37-L40 VanDerWaalsContact CD2-CD1 3.47Å; L37-L40 HydrophobicContact CD2-CG 4.46Å; L37-L40 PolarHBondContact O-N 2.94Å |
| 38 | K | 72.7 | Confident | 64.2 | Low | 164 Ų | 164 | 121.9 Ų | 121.9 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -59.6 | -19.9 | -172.3 | -67.7 | 173.7 | -176.8 | -176.5 | 0 | 113.4 | S36 | S36-K38 PolarHBondContact O-N 3.01Å; S36-K38 VanDerWaalsContact OG-CE 3.26Å; S36-K38 WeakPolarHBondContact OG-CE 3.36Å; S36-K38 WeakPolarHBondContact OG-CG 3.48Å |
| 39 | N | 63.2 | Low | 63 | Low | 155 Ų | 155 | 125.2 Ų | 125.2 | 83% | 0.829 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -94.6 | -13 | 177 | -61.4 | -21.4 | 0 | 0 | 0 | 114.3 | L37 | L37-N39 PolarHBondContact O-N 3.18Š|
| 40 | L | 64 | Low | 61.7 | Low | 115 Ų | 115 | 124 Ų | 124 | 60% | 0.602 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -21.5 | 178.1 | -93.4 | 143.7 | 0 | 0 | 0 | 112.6 | L29 L37 G42 | L29-L40 HydrophobicContact CD2-CD1 4.18Å; L37-L40 HydrophobicContact CD2-CB 4.21Å; L37-L40 HydrophobicContact CD2-CD1 3.47Å; L37-L40 VanDerWaalsContact CD2-CD1 3.47Å; L37-L40 HydrophobicContact CD2-CG 4.46Å; L37-L40 PolarHBondContact O-N 2.94Å; L40-G42 PolarHBondContact O-N 3.44Å |
| 41 | I | 59.5 | Low | 60.4 | Low | 138 Ų | 138 | 122.6 Ų | 122.6 | 71% | 0.708 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -81.7 | 48.6 | 164.5 | -43.3 | 176.1 | 0 | 0 | 0 | 108.4 | T43 | I41-T43 PolarHBondContact O-N 3.3Å; I41-T43 VanDerWaalsContact O-N 3.11Å |
| 42 | G | 52.7 | Low | 59.3 | Low | 56 Ų | 56 | 125.9 Ų | 125.9 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | | | trans | -56.7 | 117.4 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | L40 | L40-G42 PolarHBondContact O-N 3.44Š|
| 43 | T | 50.6 | Low | 57.9 | Low | 127 Ų | 127 | 129.4 Ų | 129.4 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | | | trans | -32.8 | 120.7 | -178.1 | -29.6 | 0 | 0 | 0 | 0 | 110.8 | I41 A45 | I41-T43 PolarHBondContact O-N 3.3Å; I41-T43 VanDerWaalsContact O-N 3.11Å; T43-A45 PolarHBondContact O-N 2.88Å |
| 44 | P | 55.7 | Low | 56.8 | Low | 110 Ų | 110 | 128.6 Ų | 128.6 | 71% | 0.714 | 72% | 0.719 | S | S | * | * | | | trans | -57.3 | 122.1 | 168 | 24.8 | -30.8 | 0 | 0 | 0 | 106 | S46 | P44-S46 PolarHBondContact O-N 3.18Š|
| 45 | A | 54.2 | Low | 55.4 | Low | 97 Ų | 97 | 124.2 Ų | 124.2 | 80% | 0.802 | 71% | 0.712 | S | S | * | * | | | trans | -46.2 | 117.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | T43 C47 | T43-A45 PolarHBondContact O-N 2.88Å; A45-C47 PolarHBondContact O-N 2.74Å |
| 46 | S | 43.8 | Very low | 54.1 | Low | 111 Ų | 111 | 125.8 Ų | 125.8 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | | | trans | -32.7 | 97.3 | -176.3 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | P44 | P44-S46 PolarHBondContact O-N 3.18Š|
| 47 | C | 39.6 | Very low | 53.3 | Low | 113 Ų | 113 | 131.4 Ų | 131.4 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | | | trans | -98.1 | 108.1 | 157.4 | -146.6 | 0 | 0 | 0 | 0 | 104.8 | A45 Q49 | A45-C47 PolarHBondContact O-N 2.74Å; C47-Q49 VanDerWaalsContact C-N 3.33Å; C47-Q49 PolarHBondContact O-N 3.12Å |
| 48 | R | 40.1 | Very low | 52.6 | Low | 238 Ų | 238 | 136.9 Ų | 136.9 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | | | trans | -53.8 | 93.4 | 178.1 | -67.4 | 178.5 | 172.4 | -170 | -2.8 | 109.6 | | |
| 49 | Q | 53.5 | Low | 51.5 | Low | 175 Ų | 175 | 136.6 Ų | 136.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -111.7 | 117.4 | 163.2 | -73.2 | -171 | -19.6 | 0 | 0 | 107.1 | C47 | C47-Q49 VanDerWaalsContact C-N 3.33Å; C47-Q49 PolarHBondContact O-N 3.12Å |
| 50 | S | 49.4 | Very low | 51 | Low | 103 Ų | 103 | 132.9 Ų | 132.9 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | | | trans | -46.8 | 134.8 | 177.4 | -33.3 | 0 | 0 | 0 | 0 | 110.3 | I52 | S50-I52 PolarHBondContact O-N 3.02Å; S50-I52 VanDerWaalsContact O-N 3.09Å |
| 51 | P | 47 | Very low | 50.5 | Low | 117 Ų | 117 | 135 Ų | 135 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | | | trans | -66.2 | 114.6 | 177.2 | 25.9 | -30 | 0 | 0 | 0 | 108.9 | T53 | P51-T53 VanDerWaalsContact C-N 3.35Å; P51-T53 PolarHBondContact O-N 3.12Å; P51-T53 VanDerWaalsContact O-N 3.12Å |
| 52 | I | 53.8 | Low | 50.2 | Low | 143 Ų | 143 | 132.6 Ų | 132.6 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | trans | -74.8 | 97.7 | 163.2 | -34.2 | 175.5 | 0 | 0 | 0 | 105.3 | S50 F54 | S50-I52 PolarHBondContact O-N 3.02Å; S50-I52 VanDerWaalsContact O-N 3.09Å; I52-F54 HydrophobicContact CB-CD2 4.33Å; I52-F54 HydrophobicContact CB-CE2 4.15Å; I52-F54 HydrophobicContact CG2-CD2 4.05Å; I52-F54 HydrophobicContact CG2-CE2 3.56Å; I52-F54 HydrophobicContact CG2-CZ 4.33Å; I52-F54 PolarHBondContact O-N 3.27Å |
| 53 | T | 43.7 | Very low | 50.4 | Low | 127 Ų | 127 | 137 Ų | 137 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -63.7 | 98.5 | 174.7 | -57.1 | 0 | 0 | 0 | 0 | 109.1 | P51 | P51-T53 VanDerWaalsContact C-N 3.35Å; P51-T53 PolarHBondContact O-N 3.12Å; P51-T53 VanDerWaalsContact O-N 3.12Å |
| 54 | F | 55.3 | Low | 50.8 | Low | 180 Ų | 180 | 133.4 Ų | 133.4 | 79% | 0.789 | 78% | 0.781 | S | S | * | * | | | trans | -94 | 131.7 | 160.9 | -78.7 | -82.9 | 0 | 0 | 0 | 108.8 | I52 | I52-F54 HydrophobicContact CB-CD2 4.33Å; I52-F54 HydrophobicContact CB-CE2 4.15Å; I52-F54 HydrophobicContact CG2-CD2 4.05Å; I52-F54 HydrophobicContact CG2-CE2 3.56Å; I52-F54 HydrophobicContact CG2-CZ 4.33Å; I52-F54 PolarHBondContact O-N 3.27Å |
| 55 | G | 48.3 | Very low | 51.2 | Low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | | | trans | -57.1 | 149.6 | -159.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | Q57 | G55-Q57 PolarHBondContact O-N 2.98Š|
| 56 | N | 45 | Very low | 52.8 | Low | 157 Ų | 157 | 133 Ų | 133 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | | | trans | -32.6 | 117.2 | 166.7 | -83.3 | -34.9 | 0 | 0 | 0 | 114 | | |
| 57 | Q | 56 | Low | 55.1 | Low | 191 Ų | 191 | 136.4 Ų | 136.4 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | | | trans | -122.1 | 101.7 | 140.1 | -69.6 | -158.7 | 47.5 | 0 | 0 | 108.1 | G55 N59 | G55-Q57 PolarHBondContact O-N 2.98Å; Q57-N59 PolarHBondContact O-N 2.81Å |
| 58 | K | 55.8 | Low | 57.6 | Low | 189 Ų | 189 | 133.5 Ų | 133.5 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | | | trans | -61.3 | 112 | 157.8 | -78.3 | 179.9 | 175.2 | 179.1 | 0 | 106.2 | | |
| 59 | N | 51.6 | Low | 60.2 | Low | 158 Ų | 158 | 124.6 Ų | 124.6 | 85% | 0.845 | 73% | 0.73 | S | S | * | * | | | trans | -175.1 | 82.6 | 144.7 | -86.4 | -14.5 | 0 | 0 | 0 | 107.1 | Q57 N61 | Q57-N59 PolarHBondContact O-N 2.81Å; N59-N61 PolarHBondContact O-N 2.93Å |
| 60 | G | 51.4 | Low | 62.1 | Low | 78 Ų | 78 | 120.5 Ų | 120.5 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | | | trans | -73.3 | 107.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 61 | N | 52.8 | Low | 64.4 | Low | 160 Ų | 160 | 118.8 Ų | 118.8 | 86% | 0.856 | 69% | 0.694 | S | S | * | * | | | trans | -171.5 | 146.3 | 139.3 | -112.8 | -0.4 | 0 | 0 | 0 | 112.8 | N59 | N59-N61 PolarHBondContact O-N 2.93Š|
| 62 | S | 54 | Low | 66.7 | Low | 86 Ų | 86 | 117.3 Ų | 117.3 | 60% | 0.601 | 68% | 0.68 | S | S | * | * | | | trans | 84.1 | 117.7 | 165.6 | 76.9 | 0 | 0 | 0 | 0 | 117.9 | G64 | S62-G64 PolarHBondContact O-N 3.25Š|
| 63 | P | 57.2 | Low | 68.7 | Low | 149 Ų | 149 | 117 Ų | 117 | 97% | 0.968 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -71.1 | 76.4 | 160.2 | 32.3 | -30.3 | 0 | 0 | 0 | 107.4 | | |
| 64 | G | 58 | Low | 71.1 | Confident | 51 Ų | 51 | 116.2 Ų | 116.2 | 53% | 0.526 | 67% | 0.665 | S | S | . | * | | | trans | -176.6 | 31.1 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S62 D66 | S62-G64 PolarHBondContact O-N 3.25Å; G64-D66 PolarHBondContact O-N 3.13Å |
| 65 | A | 65.7 | Low | 73.1 | Confident | 93 Ų | 93 | 116.4 Ų | 116.4 | 77% | 0.769 | 66% | 0.661 | S | S | * | * | | | trans | -43.3 | 113.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | R67 | A65-R67 PolarHBondContact O-N 2.9Š|
| 66 | D | 87.1 | Confident | 75.4 | Confident | 105 Ų | 105 | 117.3 Ų | 117.3 | 56% | 0.561 | 66% | 0.662 | S | S | * | * | | | trans | -55.2 | 104.2 | -162.4 | -175.1 | 0.1 | 0 | 0 | 0 | 109.2 | G64 A68 A69 L70 | G64-D66 PolarHBondContact O-N 3.13Å; D66-A68 PolarHBondContact O-N 3.36Å; D66-A68 VanDerWaalsContact O-N 3.1Å; D66-A68 WeakPolarHBondContact OD1-CB 3.22Å; D66-A68 PolarHBondContact OD1-N 3.1Å; D66-A69 HydrophobicContact CB-CB 3.88Å; D66-A69 WeakPolarHBondContact O-CA 3.39Å; D66-A69 WeakPolarHBondContact O-CB 3.47Å; D66-A69 PolarHBondContact O-N 2.98Å; D66-L70 PolarHBondContact O-N 3.04Å |
| 67 | R | 92.3 | Very high | 77.8 | Confident | 183 Ų | 183 | 112.3 Ų | 112.3 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -57.2 | -31.1 | -175.4 | -178.8 | 177 | 177.8 | -87.1 | -1.3 | 109.9 | A65 M71 | A65-R67 PolarHBondContact O-N 2.9Å; R67-M71 HydrophobicContact CG-CE 4.45Å; R67-M71 HydrophobicContact CG-CG 4.35Å; R67-M71 WeakPolarHBondContact O-CB 3.34Å; R67-M71 WeakPolarHBondContact O-CG 3.26Å; R67-M71 PolarHBondContact O-N 3.1Å |
| 68 | A | 92.7 | Very high | 79.7 | Confident | 53 Ų | 53 | 109.8 Ų | 109.8 | 44% | 0.438 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -66.4 | -45.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D66 M71 N72 | D66-A68 PolarHBondContact O-N 3.36Å; D66-A68 VanDerWaalsContact O-N 3.1Å; D66-A68 WeakPolarHBondContact OD1-CB 3.22Å; D66-A68 PolarHBondContact OD1-N 3.1Å; A68-M71 PolarHBondContact O-N 3.49Å; A68-N72 PolarHBondContact O-N 2.93Å; A68-N72 PolarHBondContact O-ND2 2.89Å; A68-N72 PolarHBondContact O-OD1 3.11Å |
| 69 | A | 93 | Very high | 81.6 | Confident | 50 Ų | 50 | 110.6 Ų | 110.6 | 41% | 0.413 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -60.6 | -45.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | D66 M71 N72 E73 | D66-A69 HydrophobicContact CB-CB 3.88Å; D66-A69 WeakPolarHBondContact O-CA 3.39Å; D66-A69 WeakPolarHBondContact O-CB 3.47Å; D66-A69 PolarHBondContact O-N 2.98Å; A69-M71 PolarHBondContact O-N 3.09Å; A69-N72 WeakPolarHBondContact O-CB 3.17Å; A69-N72 PolarHBondContact O-N 3.31Å; A69-N72 VanDerWaalsContact O-N 3.14Å; A69-E73 PolarHBondContact O-N 2.89Å |
| 70 | L | 95.1 | Very high | 83.6 | Confident | 89 Ų | 89 | 110 Ų | 110 | 47% | 0.466 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -60.5 | -44.4 | 175.6 | 177 | 63.1 | 0 | 0 | 0 | 112 | D66 N72 E73 I74 | D66-L70 PolarHBondContact O-N 3.04Å; L70-N72 PolarHBondContact O-N 3.42Å; L70-E73 PolarHBondContact O-N 3.19Å; L70-I74 HydrophobicContact CD1-CD1 4.17Å; L70-I74 HydrophobicContact CD1-CG1 4.37Å; L70-I74 HydrophobicContact CG-CD1 4.04Å; L70-I74 WeakPolarHBondContact O-CG1 3.43Å; L70-I74 PolarHBondContact O-N 2.82Å |
| 71 | M | 96.4 | Very high | 85.6 | Confident | 67 Ų | 67 | 117 Ų | 117 | 33% | 0.33 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -68.3 | -26 | 178.4 | -67.3 | -67.3 | 149.9 | 0 | 0 | 112.2 | R67 A68 A69 I74 R75 | R67-M71 HydrophobicContact CG-CE 4.45Å; R67-M71 HydrophobicContact CG-CG 4.35Å; R67-M71 WeakPolarHBondContact O-CB 3.34Å; R67-M71 WeakPolarHBondContact O-CG 3.26Å; R67-M71 PolarHBondContact O-N 3.1Å; A68-M71 PolarHBondContact O-N 3.49Å; A69-M71 PolarHBondContact O-N 3.09Å; M71-I74 HydrophobicContact CE-CD1 4.48Å; M71-I74 HydrophobicContact SD-CD1 4.43Å; M71-R75 WeakPolarHBondContact O-CB 3.44Å; M71-R75 VanDerWaalsContact O-CG 3.22Å; M71-R75 WeakPolarHBondContact O-CG 3.15Å; M71-R75 PolarHBondContact O-N 3.11Å; M71-R75 PolarHBondContact O-NE 2.98Å |
| 72 | N | 95.4 | Very high | 87.4 | Confident | 86 Ų | 86 | 117.1 Ų | 117.1 | 46% | 0.46 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -72.6 | -41.3 | 171 | -68.8 | -15.2 | 0 | 0 | 0 | 111.2 | A68 A69 L70 R75 A76 | A68-N72 PolarHBondContact O-N 2.93Å; A68-N72 PolarHBondContact O-ND2 2.89Å; A68-N72 PolarHBondContact O-OD1 3.11Å; A69-N72 WeakPolarHBondContact O-CB 3.17Å; A69-N72 PolarHBondContact O-N 3.31Å; A69-N72 VanDerWaalsContact O-N 3.14Å; L70-N72 PolarHBondContact O-N 3.42Å; N72-R75 PolarHBondContact O-N 2.99Å; N72-R75 PolarHBondContact OD1-NH2 3.17Å; N72-A76 WeakPolarHBondContact O-CB 3.47Å; N72-A76 PolarHBondContact O-N 3.33Å |
| 73 | E | 95 | Very high | 89 | Confident | 138 Ų | 138 | 119.9 Ų | 119.9 | 65% | 0.645 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -64.1 | -42.9 | 176.7 | -169.1 | 178.8 | 165.6 | 0 | 0 | 111.9 | A69 L70 R75 A76 G77 | A69-E73 PolarHBondContact O-N 2.89Å; L70-E73 PolarHBondContact O-N 3.19Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.32Å; E73-A76 PolarHBondContact O-N 3.27Å; E73-G77 PolarHBondContact O-N 3.1Å |
| 74 | I | 95.3 | Very high | 90.4 | Very high | 109 Ų | 109 | 119 Ų | 119 | 56% | 0.559 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -62.8 | -41 | 174 | -65.7 | 168.5 | 0 | 0 | 0 | 110.9 | L70 M71 G77 | L70-I74 HydrophobicContact CD1-CD1 4.17Å; L70-I74 HydrophobicContact CD1-CG1 4.37Å; L70-I74 HydrophobicContact CG-CD1 4.04Å; L70-I74 WeakPolarHBondContact O-CG1 3.43Å; L70-I74 PolarHBondContact O-N 2.82Å; M71-I74 HydrophobicContact CE-CD1 4.48Å; M71-I74 HydrophobicContact SD-CD1 4.43Å; I74-G77 PolarHBondContact O-N 3.03Å |
| 75 | R | 96.7 | Very high | 91.3 | Very high | 184 Ų | 184 | 120.3 Ų | 120.3 | 69% | 0.694 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.1 | -32.3 | 177.4 | -80.5 | -177 | -78.9 | 177.4 | -6.9 | 113 | M71 N72 E73 G77 | M71-R75 WeakPolarHBondContact O-CB 3.44Å; M71-R75 VanDerWaalsContact O-CG 3.22Å; M71-R75 WeakPolarHBondContact O-CG 3.15Å; M71-R75 PolarHBondContact O-N 3.11Å; M71-R75 PolarHBondContact O-NE 2.98Å; N72-R75 PolarHBondContact O-N 2.99Å; N72-R75 PolarHBondContact OD1-NH2 3.17Å; E73-R75 VanDerWaalsContact C-N 3.33Å; E73-R75 PolarHBondContact O-N 3.32Å; R75-G77 PolarHBondContact O-N 3.38Å |
| 76 | A | 96.6 | Very high | 91.9 | Very high | 88 Ų | 88 | 121.2 Ų | 121.2 | 73% | 0.727 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -67.5 | -26.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N72 E73 | N72-A76 WeakPolarHBondContact O-CB 3.47Å; N72-A76 PolarHBondContact O-N 3.33Å; E73-A76 PolarHBondContact O-N 3.27Å |
| 77 | G | 95.9 | Very high | 90.6 | Very high | 51 Ų | 51 | 124 Ų | 124 | 53% | 0.526 | 65% | 0.647 | S | S | . | * | | | trans | 79.9 | 162.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E73 I74 R75 | E73-G77 PolarHBondContact O-N 3.1Å; I74-G77 PolarHBondContact O-N 3.03Å; R75-G77 PolarHBondContact O-N 3.38Å |
| 78 | I | 95.1 | Very high | 89.1 | Confident | 139 Ų | 139 | 121.4 Ų | 121.4 | 71% | 0.713 | 65% | 0.651 | S | S | * | * | | | trans | -122.7 | 134.9 | 176 | -171.3 | 168.4 | 0 | 0 | 0 | 109.9 | L80 | I78-L80 HydrophobicContact CG2-CD2 3.92Å; I78-L80 HydrophobicContact CG2-CG 4.4Å; I78-L80 PolarHBondContact O-N 2.81Å |
| 79 | K | 95.5 | Very high | 87.3 | Confident | 205 Ų | 205 | 122.5 Ų | 122.5 | 89% | 0.891 | 66% | 0.655 | S | S | * | * | | | trans | -77.9 | 106.1 | 171.1 | -69.3 | -175.4 | 179.8 | 179.6 | 0 | 108.8 | | |
| 80 | L | 94.2 | Very high | 85.5 | Confident | 147 Ų | 147 | 127.3 Ų | 127.3 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 138.9 | 171.7 | -58.6 | 179.5 | 0 | 0 | 0 | 109.3 | I78 | I78-L80 HydrophobicContact CG2-CD2 3.92Å; I78-L80 HydrophobicContact CG2-CG 4.4Å; I78-L80 PolarHBondContact O-N 2.81Å |
| 81 | R | 93.1 | Very high | 83.2 | Confident | 225 Ų | 225 | 131.1 Ų | 131.1 | 85% | 0.849 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 137.1 | 172.9 | -67.1 | -173.7 | -68.2 | 152.4 | -0.9 | 109.1 | I83 | R81-I83 PolarHBondContact O-N 2.74Š|
| 82 | H | 90.5 | Very high | 80.8 | Confident | 162 Ų | 162 | 132.4 Ų | 132.4 | 75% | 0.75 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 121.2 | 166.8 | -165.9 | -101.5 | 0 | 0 | 0 | 107.7 | D84 | H82-D84 IonicContact CE1-OD1 3.06Å; H82-D84 PolarHBondContact CE1-OD1 2.94Å; H82-D84 IonicContact ND1-OD1 2.74Å; H82-D84 PolarHBondContact ND1-OD1 3.28Å |
| 83 | I | 88.8 | Confident | 78.7 | Confident | 143 Ų | 143 | 140.1 Ų | 140.1 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | trans | -99.7 | 113.4 | 167.7 | -60 | 175.6 | 0 | 0 | 0 | 104.2 | R81 A85 | R81-I83 PolarHBondContact O-N 2.74Å; I83-A85 PolarHBondContact O-N 2.9Å |
| 84 | D | 86.5 | Confident | 76.6 | Confident | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | | | trans | -64.6 | 90.3 | 169.3 | -61.5 | -35.1 | 0 | 0 | 0 | 106.9 | H82 P86 | H82-D84 IonicContact CE1-OD1 3.06Å; H82-D84 PolarHBondContact CE1-OD1 2.94Å; H82-D84 IonicContact ND1-OD1 2.74Å; H82-D84 PolarHBondContact ND1-OD1 3.28Å; D84-P86 WeakPolarHBondContact O-CD 3.38Å |
| 85 | A | 76 | Confident | 74.4 | Confident | 77 Ų | 77 | 142.5 Ų | 142.5 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | trans | -61.7 | 123.1 | 168 | 0 | 0 | 0 | 0 | 0 | 105.6 | I83 L87 | I83-A85 PolarHBondContact O-N 2.9Å; A85-L87 PolarHBondContact O-N 3.5Å; A85-L87 VanDerWaalsContact O-N 3.08Å |
| 86 | P | 77.8 | Confident | 71.9 | Confident | 112 Ų | 112 | 139.1 Ų | 139.1 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | | | trans | -53.1 | 127.7 | 172 | 22.2 | -30.7 | 0 | 0 | 0 | 106.2 | D84 V88 | D84-P86 WeakPolarHBondContact O-CD 3.38Å; P86-V88 PolarHBondContact O-N 3.03Å |
| 87 | L | 61.6 | Low | 69.7 | Low | 165 Ų | 165 | 143.5 Ų | 143.5 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | -50 | 99.6 | 169.7 | -95.2 | 107.5 | 0 | 0 | 0 | 106.2 | A85 S89 | A85-L87 PolarHBondContact O-N 3.5Å; A85-L87 VanDerWaalsContact O-N 3.08Å; L87-S89 PolarHBondContact O-N 2.82Å |
| 88 | V | 60.4 | Low | 67.3 | Low | 128 Ų | 128 | 144.6 Ų | 144.6 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | -69.5 | 83.2 | 155.8 | -176.1 | 0 | 0 | 0 | 0 | 102.2 | P86 T90 | P86-V88 PolarHBondContact O-N 3.03Å; V88-T90 PolarHBondContact O-N 2.89Å |
| 89 | S | 53.4 | Low | 65 | Low | 75 Ų | 75 | 143.5 Ų | 143.5 | 52% | 0.524 | 79% | 0.793 | S | S | . | * | | | trans | -53.4 | 116.1 | 166.6 | 59.9 | 0 | 0 | 0 | 0 | 105 | L87 Q91 | L87-S89 PolarHBondContact O-N 2.82Å; S89-Q91 PolarHBondContact O-N 2.8Å |
| 90 | T | 55.4 | Low | 62.9 | Low | 152 Ų | 152 | 139.5 Ų | 139.5 | 93% | 0.933 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -63.4 | 74.1 | 167.8 | 15.3 | 0 | 0 | 0 | 0 | 107.5 | V88 | V88-T90 PolarHBondContact O-N 2.89Š|
| 91 | Q | 47.8 | Very low | 60.6 | Low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | | | trans | -152.5 | 61.2 | 177.6 | -163.1 | -179.9 | 10 | 0 | 0 | 110.5 | S89 | S89-Q91 PolarHBondContact O-N 2.8Š|
| 92 | A | 45.2 | Very low | 58.3 | Low | 95 Ų | 95 | 136.2 Ų | 136.2 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -168.8 | 58.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 93 | R | 52.1 | Low | 56.3 | Low | 248 Ų | 248 | 136.3 Ų | 136.3 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | | | trans | -147 | 58.4 | 160.3 | -81.6 | -159.7 | 169.2 | -177.9 | -3.7 | 112.2 | | |
| 94 | T | 50.4 | Low | 55 | Low | 136 Ų | 136 | 136.1 Ų | 136.1 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | | | trans | -147.8 | 83.8 | 153.5 | 56 | 0 | 0 | 0 | 0 | 108.3 | | |
| 95 | N | 49.4 | Very low | 53.2 | Low | 160 Ų | 160 | 135.8 Ų | 135.8 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | | | trans | -110.6 | 137.1 | 162.5 | -77.8 | -10.3 | 0 | 0 | 0 | 108.1 | | |
| 96 | S | 45.1 | Very low | 51.9 | Low | 114 Ų | 114 | 138 Ų | 138 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | | | trans | 77.5 | 86.8 | 167.8 | 83.5 | 0 | 0 | 0 | 0 | 118.5 | | |
| 97 | L | 48.8 | Very low | 50.1 | Low | 180 Ų | 180 | 141.7 Ų | 141.7 | 94% | 0.942 | 83% | 0.826 | S | S | * | * | | | | -161.3 | 126.8 | 119.7 | -138 | 69.4 | 0 | 0 | 0 | 112 | | |
| 98 | G | 47 | Very low | 49.6 | Very low | 73 Ų | 73 | 142.3 Ų | 142.3 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | | | trans | 84.5 | 83 | 143.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 99 | S | 45.6 | Very low | 48.9 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 81% | 0.811 | 82% | 0.824 | S | S | * | * | | | trans | -46.6 | 134.3 | 156.4 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 100 | S | 51 | Low | 48.2 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | | | trans | -168.2 | 112.3 | 140.2 | -80.1 | 0 | 0 | 0 | 0 | 112.5 | | |
| 101 | K | 46.6 | Very low | 47.5 | Very low | 211 Ų | 211 | 147.7 Ų | 147.7 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | | | trans | 3.2 | 129.1 | 150.9 | -71.8 | 170.5 | 170.7 | 174.5 | 0 | 119.9 | | |
| 102 | A | 45.7 | Very low | 47.2 | Very low | 92 Ų | 92 | 148.4 Ų | 148.4 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | | | | 168.5 | 101.5 | 123.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 103 | L | 48.4 | Very low | 47.3 | Very low | 165 Ų | 165 | 152.4 Ų | 152.4 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | | | | 44.8 | 105.9 | 99.4 | -78.5 | 165.2 | 0 | 0 | 0 | 115.1 | | |
| 104 | T | 61.1 | Low | 46.9 | Very low | 139 Ų | 139 | 148 Ų | 148 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | | -178.7 | 138.8 | 116.3 | 30.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 105 | P | 48.8 | Very low | 47 | Very low | 124 Ų | 124 | 145.9 Ų | 145.9 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | | | trans | -98.5 | 135.3 | 168.8 | 35 | -25.3 | 0 | 0 | 0 | 109.8 | | |
| 106 | S | 48.9 | Very low | 47.1 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | | | trans | -147.2 | 132.2 | 158.2 | -169.1 | 0 | 0 | 0 | 0 | 111 | | |
| 107 | K | 40.4 | Very low | 47.5 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | | | trans | -77.2 | 156.8 | 174.5 | -70.1 | 174.6 | 172.1 | 177.4 | 0 | 109.6 | | |
| 108 | Q | 49.7 | Very low | 47.7 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | trans | 120.3 | 134.1 | 144.7 | -67.8 | -174.4 | -48.6 | 0 | 0 | 116.5 | | |
| 109 | Q | 46.8 | Very low | 48.1 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | | | trans | 75.2 | 101.5 | 151.3 | -111.4 | 162 | -17.6 | 0 | 0 | 116.6 | | |
| 110 | E | 38.2 | Very low | 48.7 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | | | | 80.3 | 124.9 | 69.2 | -171.6 | 168.7 | -147.7 | 0 | 0 | 112.7 | | |
| 111 | E | 39.8 | Very low | 49.2 | Very low | 140 Ų | 140 | 137.7 Ų | 137.7 | 65% | 0.654 | 74% | 0.736 | S | S | * | * | | | trans | 83 | 121.5 | 167.7 | -77.8 | -171.4 | -167.6 | 0 | 0 | 122.3 | | |
| 112 | K | 43.5 | Very low | 50.4 | Low | 182 Ų | 182 | 132.5 Ų | 132.5 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | | | trans | 70.3 | 102.7 | 146.4 | -67.2 | 166.2 | 179.5 | 142.5 | 0 | 117.6 | | |
| 113 | K | 47.1 | Very low | 51.7 | Low | 180 Ų | 180 | 131.2 Ų | 131.2 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | | | | 162.2 | 98.7 | 111.9 | -168.5 | 176.3 | -176 | -172.6 | 0 | 109.5 | T115 | K113-T115 VanDerWaalsContact C-N 3.33Å; K113-T115 PolarHBondContact O-N 3.15Å; K113-T115 PolarHBondContact O-OG1 3.06Å |
| 114 | V | 43.2 | Very low | 53 | Low | 155 Ų | 155 | 126 Ų | 126 | 94% | 0.939 | 69% | 0.688 | S | S | * | * | | | trans | -62.1 | 95.5 | 168.8 | 177.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 115 | T | 52 | Low | 53.7 | Low | 91 Ų | 91 | 125.4 Ų | 125.4 | 56% | 0.558 | 68% | 0.675 | S | S | * | * | | | trans | -110.6 | 109.8 | 168.5 | -31.8 | 0 | 0 | 0 | 0 | 105.8 | K113 N117 | K113-T115 VanDerWaalsContact C-N 3.33Å; K113-T115 PolarHBondContact O-N 3.15Å; K113-T115 PolarHBondContact O-OG1 3.06Å; T115-N117 PolarHBondContact O-N 3.2Å |
| 116 | S | 51 | Low | 55.3 | Low | 64 Ų | 64 | 121.2 Ų | 121.2 | 45% | 0.448 | 65% | 0.651 | S | S | . | * | | | trans | -41.9 | 121.9 | -174.3 | 39.9 | 0 | 0 | 0 | 0 | 114.3 | T118 T119 | S116-T118 PolarHBondContact O-N 2.72Å; S116-T119 PolarHBondContact O-N 3.38Å; S116-T119 PolarHBondContact O-OG1 2.84Å; S116-T119 PolarHBondContact OG-OG1 3.37Å |
| 117 | N | 54 | Low | 56.8 | Low | 135 Ų | 135 | 117.9 Ų | 117.9 | 72% | 0.722 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | -17.7 | 169.4 | -63.3 | -16.1 | 0 | 0 | 0 | 113 | T115 T119 I121 | T115-N117 PolarHBondContact O-N 3.2Å; N117-T119 VanDerWaalsContact C-N 3.26Å; N117-T119 PolarHBondContact O-N 2.93Å; N117-I121 WeakPolarHBondContact O-CG1 3.31Å |
| 118 | T | 52.5 | Low | 58.9 | Low | 85 Ų | 85 | 113.4 Ų | 113.4 | 52% | 0.521 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -59.9 | -30.1 | 173.1 | -34.2 | 0 | 0 | 0 | 0 | 113.4 | S116 N122 | S116-T118 PolarHBondContact O-N 2.72Å; T118-N122 WeakPolarHBondContact O-CB 3.31Å; T118-N122 PolarHBondContact O-N 3.39Å; T118-N122 VanDerWaalsContact O-N 3.1Å; T118-N122 PolarHBondContact O-ND2 2.87Å |
| 119 | T | 56 | Low | 60.7 | Low | 85 Ų | 85 | 108.6 Ų | 108.6 | 52% | 0.521 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -74.4 | -36.5 | -174.3 | -41.7 | 0 | 0 | 0 | 0 | 112.2 | S116 N117 A123 | S116-T119 PolarHBondContact O-N 3.38Å; S116-T119 PolarHBondContact O-OG1 2.84Å; S116-T119 PolarHBondContact OG-OG1 3.37Å; N117-T119 VanDerWaalsContact C-N 3.26Å; N117-T119 PolarHBondContact O-N 2.93Å; T119-A123 PolarHBondContact O-N 3.42Å |
| 120 | V | 59 | Low | 62.5 | Low | 112 Ų | 112 | 109.4 Ų | 109.4 | 68% | 0.679 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -74.1 | -37.8 | 178.9 | -176.1 | 0 | 0 | 0 | 0 | 110.9 | A123 A124 | V120-A123 PolarHBondContact O-N 3.37Å; V120-A124 PolarHBondContact O-N 2.86Å; V120-A124 VanDerWaalsContact O-N 3.13Å |
| 121 | I | 60.7 | Low | 64.7 | Low | 112 Ų | 112 | 107.5 Ų | 107.5 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -67.4 | -40.2 | 177.5 | -60.3 | 169.5 | 0 | 0 | 0 | 110.7 | N117 A123 A124 H125 | N117-I121 WeakPolarHBondContact O-CG1 3.31Å; I121-A123 VanDerWaalsContact C-N 3.35Å; I121-A123 PolarHBondContact O-N 2.92Å; I121-A124 PolarHBondContact O-N 2.69Å; I121-H125 WeakPolarHBondContact O-CB 3.3Å; I121-H125 PolarHBondContact O-N 3.08Å |
| 122 | N | 71.1 | Confident | 66.8 | Low | 102 Ų | 102 | 106.3 Ų | 106.3 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.4 | -34.8 | 176.8 | -75.6 | -13.9 | 0 | 0 | 0 | 112.7 | T118 A126 | T118-N122 WeakPolarHBondContact O-CB 3.31Å; T118-N122 PolarHBondContact O-N 3.39Å; T118-N122 VanDerWaalsContact O-N 3.1Å; T118-N122 PolarHBondContact O-ND2 2.87Å; N122-A126 VanDerWaalsContact O-CB 3.3Å; N122-A126 WeakPolarHBondContact O-CB 3.43Å; N122-A126 PolarHBondContact O-N 3.07Å |
| 123 | A | 74.4 | Confident | 68.7 | Low | 64 Ų | 64 | 101 Ų | 101 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.1 | -42.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T119 V120 I121 A126 A127 | T119-A123 PolarHBondContact O-N 3.42Å; V120-A123 PolarHBondContact O-N 3.37Å; I121-A123 VanDerWaalsContact C-N 3.35Å; I121-A123 PolarHBondContact O-N 2.92Å; A123-A126 PolarHBondContact O-N 2.86Å; A123-A127 PolarHBondContact O-N 2.8Å; A123-A127 VanDerWaalsContact O-N 3.09Å |
| 124 | A | 74.1 | Confident | 70.3 | Confident | 55 Ų | 55 | 95.1 Ų | 95.1 | 46% | 0.455 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | V120 I121 A126 A127 I128 | V120-A124 PolarHBondContact O-N 2.86Å; V120-A124 VanDerWaalsContact O-N 3.13Å; I121-A124 PolarHBondContact O-N 2.69Å; A124-A126 VanDerWaalsContact C-N 3.3Å; A124-A126 PolarHBondContact O-N 2.74Å; A124-A127 PolarHBondContact O-N 2.99Å; A124-A127 VanDerWaalsContact O-N 3.13Å; A124-I128 WeakPolarHBondContact O-CG1 3.48Å; A124-I128 PolarHBondContact O-N 3.46Å; A124-I128 VanDerWaalsContact O-N 3.08Å |
| 125 | H | 76.5 | Confident | 71.9 | Confident | 127 Ų | 127 | 92.8 Ų | 92.8 | 59% | 0.588 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.1 | -38.3 | 177.3 | -143.6 | -110.9 | 0 | 0 | 0 | 111.5 | I121 A127 I128 V129 | I121-H125 WeakPolarHBondContact O-CB 3.3Å; I121-H125 PolarHBondContact O-N 3.08Å; H125-A127 VanDerWaalsContact C-N 3.32Å; H125-A127 PolarHBondContact O-N 3.31Å; H125-I128 PolarHBondContact O-N 3.44Å; H125-V129 VanDerWaalsContact O-CG2 3.31Å; H125-V129 WeakPolarHBondContact O-CG2 3.45Å; H125-V129 PolarHBondContact O-N 2.93Å |
| 126 | A | 82.2 | Confident | 72.8 | Confident | 36 Ų | 36 | 94.2 Ų | 94.2 | 30% | 0.298 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.3 | -24.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114 | N122 A123 A124 R130 | N122-A126 VanDerWaalsContact O-CB 3.3Å; N122-A126 WeakPolarHBondContact O-CB 3.43Å; N122-A126 PolarHBondContact O-N 3.07Å; A123-A126 PolarHBondContact O-N 2.86Å; A124-A126 VanDerWaalsContact C-N 3.3Å; A124-A126 PolarHBondContact O-N 2.74Å; A126-R130 WeakPolarHBondContact O-CB 3.28Å; A126-R130 WeakPolarHBondContact O-CG 3.47Å; A126-R130 PolarHBondContact O-N 2.88Å; A126-R130 PolarHBondContact O-NE 3.23Å; A126-R130 VanDerWaalsContact O-NE 3.13Å |
| 127 | A | 81.6 | Confident | 73.6 | Confident | 55 Ų | 55 | 99.1 Ų | 99.1 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -75.4 | -44.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A123 A124 H125 V129 R130 Q131 | A123-A127 PolarHBondContact O-N 2.8Å; A123-A127 VanDerWaalsContact O-N 3.09Å; A124-A127 PolarHBondContact O-N 2.99Å; A124-A127 VanDerWaalsContact O-N 3.13Å; H125-A127 VanDerWaalsContact C-N 3.32Å; H125-A127 PolarHBondContact O-N 3.31Å; A127-V129 PolarHBondContact O-N 3.35Å; A127-R130 PolarHBondContact O-N 3.41Å; A127-Q131 PolarHBondContact O-N 3.1Å |
| 128 | I | 84.2 | Confident | 74 | Confident | 96 Ų | 96 | 97.9 Ų | 97.9 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.2 | -46.5 | 176.9 | -64.8 | 167.4 | 0 | 0 | 0 | 110.7 | A124 H125 R130 Q131 M132 | A124-I128 WeakPolarHBondContact O-CG1 3.48Å; A124-I128 PolarHBondContact O-N 3.46Å; A124-I128 VanDerWaalsContact O-N 3.08Å; H125-I128 PolarHBondContact O-N 3.44Å; I128-R130 VanDerWaalsContact C-N 3.3Å; I128-R130 PolarHBondContact O-N 3.42Å; I128-Q131 PolarHBondContact O-N 2.92Å; I128-M132 WeakPolarHBondContact O-CG 3.46Å; I128-M132 PolarHBondContact O-N 2.99Å |
| 129 | V | 87.3 | Confident | 74.2 | Confident | 76 Ų | 76 | 98.6 Ų | 98.6 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 177 | 173 | 0 | 0 | 0 | 0 | 111.3 | H125 A127 M132 V133 | H125-V129 VanDerWaalsContact O-CG2 3.31Å; H125-V129 WeakPolarHBondContact O-CG2 3.45Å; H125-V129 PolarHBondContact O-N 2.93Å; A127-V129 PolarHBondContact O-N 3.35Å; V129-M132 PolarHBondContact O-N 3.36Å; V129-V133 HydrophobicContact CG1-CG2 4.44Å; V129-V133 VanDerWaalsContact O-CG2 3.28Å; V129-V133 WeakPolarHBondContact O-CG2 3.45Å; V129-V133 PolarHBondContact O-N 3.4Å |
| 130 | R | 84.2 | Confident | 74 | Confident | 184 Ų | 184 | 100.3 Ų | 100.3 | 69% | 0.694 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.2 | -39.3 | 175.8 | -84.2 | -175.7 | -101.8 | -142.8 | 0.2 | 112.6 | A126 A127 I128 A134 | A126-R130 WeakPolarHBondContact O-CB 3.28Å; A126-R130 WeakPolarHBondContact O-CG 3.47Å; A126-R130 PolarHBondContact O-N 2.88Å; A126-R130 PolarHBondContact O-NE 3.23Å; A126-R130 VanDerWaalsContact O-NE 3.13Å; A127-R130 PolarHBondContact O-N 3.41Å; I128-R130 VanDerWaalsContact C-N 3.3Å; I128-R130 PolarHBondContact O-N 3.42Å; R130-A134 WeakPolarHBondContact O-CB 3.33Å; R130-A134 PolarHBondContact O-N 3.04Å |
| 131 | Q | 83.9 | Confident | 73.4 | Confident | 122 Ų | 122 | 100 Ų | 100 | 57% | 0.57 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.1 | -46.4 | 175.8 | -174.8 | 173.2 | -8.4 | 0 | 0 | 111.5 | A127 I128 V133 A134 E135 | A127-Q131 PolarHBondContact O-N 3.1Å; I128-Q131 PolarHBondContact O-N 2.92Å; Q131-V133 VanDerWaalsContact C-N 3.33Å; Q131-V133 PolarHBondContact O-N 3Å; Q131-A134 PolarHBondContact O-N 3.39Å; Q131-A134 VanDerWaalsContact O-N 3.16Å; Q131-E135 PolarHBondContact NE2-OE1 3.4Å; Q131-E135 WeakPolarHBondContact O-CG 3.32Å; Q131-E135 PolarHBondContact O-N 3.46Å |
| 132 | M | 83.8 | Confident | 72.8 | Confident | 114 Ų | 114 | 103.1 Ų | 103.1 | 56% | 0.562 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.2 | -38.5 | 177.4 | -68.2 | -167.5 | 78.6 | 0 | 0 | 112.8 | I128 V129 E135 L136 | I128-M132 WeakPolarHBondContact O-CG 3.46Å; I128-M132 PolarHBondContact O-N 2.99Å; V129-M132 PolarHBondContact O-N 3.36Å; M132-E135 PolarHBondContact O-N 3.19Å; M132-L136 WeakPolarHBondContact O-CB 3.49Å; M132-L136 VanDerWaalsContact O-CG 3.32Å; M132-L136 WeakPolarHBondContact O-CG 3.18Å; M132-L136 PolarHBondContact O-N 3.21Å |
| 133 | V | 84.7 | Confident | 71.7 | Confident | 71 Ų | 71 | 106.4 Ų | 106.4 | 43% | 0.43 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.4 | -33.2 | 176.6 | 171.2 | 0 | 0 | 0 | 0 | 111.9 | V129 Q131 K137 | V129-V133 HydrophobicContact CG1-CG2 4.44Å; V129-V133 VanDerWaalsContact O-CG2 3.28Å; V129-V133 WeakPolarHBondContact O-CG2 3.45Å; V129-V133 PolarHBondContact O-N 3.4Å; Q131-V133 VanDerWaalsContact C-N 3.33Å; Q131-V133 PolarHBondContact O-N 3Å; V133-K137 PolarHBondContact O-N 3.43Å; V133-K137 VanDerWaalsContact O-N 3.15Å |
| 134 | A | 80.9 | Confident | 70.2 | Confident | 56 Ų | 56 | 108.3 Ų | 108.3 | 46% | 0.463 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.9 | -43.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | R130 Q131 L136 K137 T138 | R130-A134 WeakPolarHBondContact O-CB 3.33Å; R130-A134 PolarHBondContact O-N 3.04Å; Q131-A134 PolarHBondContact O-N 3.39Å; Q131-A134 VanDerWaalsContact O-N 3.16Å; A134-L136 VanDerWaalsContact C-N 3.33Å; A134-L136 PolarHBondContact O-N 3.31Å; A134-K137 PolarHBondContact O-N 3.44Å; A134-T138 PolarHBondContact O-N 3.05Å |
| 135 | E | 75.4 | Confident | 68.9 | Low | 106 Ų | 106 | 111.6 Ų | 111.6 | 50% | 0.495 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -66.1 | -32.3 | 176.4 | -69.9 | 174.7 | -168.8 | 0 | 0 | 112.7 | Q131 M132 T138 T139 | Q131-E135 PolarHBondContact NE2-OE1 3.4Å; Q131-E135 WeakPolarHBondContact O-CG 3.32Å; Q131-E135 PolarHBondContact O-N 3.46Å; M132-E135 PolarHBondContact O-N 3.19Å; E135-T138 PolarHBondContact O-OG1 3.41Å; E135-T139 WeakPolarHBondContact O-CG2 3.46Å; E135-T139 PolarHBondContact O-OG1 3.19Å; E135-T139 VanDerWaalsContact O-OG1 3.08Å |
| 136 | L | 71.6 | Confident | 67.3 | Low | 121 Ų | 121 | 113.7 Ų | 113.7 | 63% | 0.634 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -74.9 | -25.5 | 174.2 | -75 | 166.6 | 0 | 0 | 0 | 113.3 | M132 A134 T139 | M132-L136 WeakPolarHBondContact O-CB 3.49Å; M132-L136 VanDerWaalsContact O-CG 3.32Å; M132-L136 WeakPolarHBondContact O-CG 3.18Å; M132-L136 PolarHBondContact O-N 3.21Å; A134-L136 VanDerWaalsContact C-N 3.33Å; A134-L136 PolarHBondContact O-N 3.31Å; L136-T139 PolarHBondContact O-OG1 3.05Å |
| 137 | K | 66.4 | Low | 65.7 | Low | 168 Ų | 168 | 120 Ų | 120 | 73% | 0.73 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77.6 | -26.9 | 176.1 | -84 | -176.9 | 175 | -175.3 | 0 | 113.1 | V133 A134 | V133-K137 PolarHBondContact O-N 3.43Å; V133-K137 VanDerWaalsContact O-N 3.15Å; A134-K137 PolarHBondContact O-N 3.44Å |
| 138 | T | 63.1 | Low | 64.1 | Low | 108 Ų | 108 | 126.3 Ų | 126.3 | 66% | 0.663 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -85.8 | -9.8 | -180 | 54.8 | 0 | 0 | 0 | 0 | 113.7 | A134 E135 | A134-T138 PolarHBondContact O-N 3.05Å; E135-T138 PolarHBondContact O-OG1 3.41Å |
| 139 | T | 56.5 | Low | 62.7 | Low | 101 Ų | 101 | 129.4 Ų | 129.4 | 62% | 0.62 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.2 | 8.9 | -176.9 | 46.1 | 0 | 0 | 0 | 0 | 114.3 | E135 L136 T141 | E135-T139 WeakPolarHBondContact O-CG2 3.46Å; E135-T139 PolarHBondContact O-OG1 3.19Å; E135-T139 VanDerWaalsContact O-OG1 3.08Å; L136-T139 PolarHBondContact O-OG1 3.05Å; T139-T141 PolarHBondContact O-N 3.32Å |
| 140 | N | 51.6 | Low | 60.7 | Low | 121 Ų | 121 | 132.7 Ų | 132.7 | 65% | 0.647 | 68% | 0.683 | S | S | * | * | | | trans | -92.6 | 65.1 | 178.5 | -136.8 | 4.4 | 0 | 0 | 0 | 111.3 | F142 | N140-F142 WeakPolarHBondContact OD1-CD2 3.42Å; N140-F142 VanDerWaalsContact OD1-CE2 3.31Å; N140-F142 WeakPolarHBondContact OD1-CE2 3.32Å |
| 141 | T | 46.8 | Very low | 59.2 | Low | 105 Ų | 105 | 131.4 Ų | 131.4 | 64% | 0.644 | 69% | 0.69 | S | S | * | * | | | trans | -110.5 | 76.1 | 164.7 | -43.3 | 0 | 0 | 0 | 0 | 107.7 | T139 H143 | T139-T141 PolarHBondContact O-N 3.32Å; T141-H143 PolarHBondContact O-N 3.37Å |
| 142 | F | 49.2 | Very low | 57.6 | Low | 178 Ų | 178 | 133.9 Ų | 133.9 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | | | trans | -71.7 | 104 | 165.3 | -85.4 | -90.1 | 0 | 0 | 0 | 108 | N140 S144 | N140-F142 WeakPolarHBondContact OD1-CD2 3.42Å; N140-F142 VanDerWaalsContact OD1-CE2 3.31Å; N140-F142 WeakPolarHBondContact OD1-CE2 3.32Å; F142-S144 PolarHBondContact O-N 3.13Å |
| 143 | H | 47.4 | Very low | 56 | Low | 170 Ų | 170 | 136 Ų | 136 | 79% | 0.787 | 72% | 0.715 | S | S | * | * | | | trans | -69.3 | 102.4 | 157.6 | -79 | -74.9 | 0 | 0 | 0 | 108 | T141 | T141-H143 PolarHBondContact O-N 3.37Š|
| 144 | S | 43.7 | Very low | 54.4 | Low | 104 Ų | 104 | 139.1 Ų | 139.1 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 126.1 | 164.5 | -64.9 | 0 | 0 | 0 | 0 | 108.8 | F142 L146 | F142-S144 PolarHBondContact O-N 3.13Å; S144-L146 PolarHBondContact O-N 3.13Å |
| 145 | P | 45.3 | Very low | 52.9 | Low | 125 Ų | 125 | 142.3 Ų | 142.3 | 81% | 0.812 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 122.1 | 170.7 | -9.6 | 25.5 | 0 | 0 | 0 | 109.2 | H147 | P145-H147 PolarHBondContact O-N 3.08Š|
| 146 | L | 43.7 | Very low | 51.8 | Low | 171 Ų | 171 | 148 Ų | 148 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 122.2 | 164.2 | -90.1 | 151.9 | 0 | 0 | 0 | 109.2 | S144 | S144-L146 PolarHBondContact O-N 3.13Š|
| 147 | H | 47.8 | Very low | 50.5 | Low | 168 Ų | 168 | 149.7 Ų | 149.7 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | | | trans | -96.9 | 103.5 | 165.1 | -144.2 | -80.1 | 0 | 0 | 0 | 106.5 | P145 | P145-H147 PolarHBondContact O-N 3.08Š|
| 148 | E | 48.8 | Very low | 50.4 | Low | 187 Ų | 187 | 148.3 Ų | 148.3 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -78.2 | 111.5 | 161.5 | -78 | -174.3 | 160.2 | 0 | 0 | 107.1 | | |
| 149 | E | 53.9 | Low | 49.3 | Very low | 162 Ų | 162 | 148.1 Ų | 148.1 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | | | trans | -110.6 | 112 | 163.2 | -158.8 | 169.6 | -168.7 | 0 | 0 | 107.8 | D151 | E149-D151 PolarHBondContact O-N 3.09Š|
| 150 | N | 45.2 | Very low | 49 | Very low | 145 Ų | 145 | 151.1 Ų | 151.1 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | | | trans | -58.7 | 112.6 | 171.1 | -95.3 | -44.6 | 0 | 0 | 0 | 109.9 | | |
| 151 | D | 53.5 | Low | 49 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | | | trans | -116.4 | 96.3 | 154.6 | -90.4 | -28.5 | 0 | 0 | 0 | 109 | E149 N153 | E149-D151 PolarHBondContact O-N 3.09Å; D151-N153 PolarHBondContact O-N 2.97Å |
| 152 | Q | 51 | Low | 49.1 | Very low | 173 Ų | 173 | 156.3 Ų | 156.3 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | | | trans | -69.8 | 107.2 | 159.4 | -72.2 | 177.6 | -6.7 | 0 | 0 | 108.1 | | |
| 153 | N | 50.6 | Low | 48.9 | Very low | 160 Ų | 160 | 156 Ų | 156 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | -153.6 | 101.3 | 144 | -126.9 | -20.7 | 0 | 0 | 0 | 111.3 | D151 | D151-N153 PolarHBondContact O-N 2.97Š|
| 154 | V | 50.3 | Low | 49 | Very low | 135 Ų | 135 | 152.1 Ų | 152.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -85.9 | 113.4 | 179.8 | 170 | 0 | 0 | 0 | 0 | 108.5 | | |
| 155 | V | 49.1 | Very low | 49 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | | | trans | -157 | 125.2 | 149.2 | 171.7 | 0 | 0 | 0 | 0 | 109.4 | | |
| 156 | R | 53.1 | Low | 49.4 | Very low | 227 Ų | 227 | 157.5 Ų | 157.5 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | | | trans | 106 | 102.2 | 160.9 | -77.9 | 162.4 | -163.7 | -161.5 | 6.9 | 119.1 | | |
| 157 | D | 43.6 | Very low | 49.6 | Very low | 155 Ų | 155 | 158.1 Ų | 158.1 | 83% | 0.829 | 80% | 0.8 | S | S | * | * | | | trans | -42.7 | 129.4 | 159.2 | -50.5 | -71 | 0 | 0 | 0 | 114.9 | | |
| 158 | V | 63.6 | Low | 49.6 | Very low | 139 Ų | 139 | 155.2 Ų | 155.2 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | -152.2 | 119.6 | 137.6 | -177.7 | 0 | 0 | 0 | 0 | 108 | | |
| 159 | P | 40 | Very low | 49.3 | Very low | 105 Ų | 105 | 152 Ų | 152 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | | | trans | -95.1 | 138 | 166.3 | 34.4 | -25.3 | 0 | 0 | 0 | 109.3 | | |
| 160 | L | 52 | Low | 49 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | | | trans | -163.3 | 110.4 | 142.4 | -124.4 | 96.7 | 0 | 0 | 0 | 111.5 | | |
| 161 | E | 50.9 | Low | 48.8 | Very low | 131 Ų | 131 | 147.4 Ų | 147.4 | 61% | 0.612 | 79% | 0.791 | S | S | * | * | | | trans | 50 | 112.1 | 133 | -63.6 | -120.9 | 151.1 | 0 | 0 | 120.3 | | |
| 162 | R | 47.9 | Very low | 48.5 | Very low | 205 Ų | 205 | 149.3 Ų | 149.3 | 77% | 0.774 | 79% | 0.792 | S | S | * | * | | | | 59.8 | 119.9 | 126.6 | -64.2 | -176.5 | 171.6 | 128.2 | -2.2 | 117.3 | | |
| 163 | L | 44.8 | Very low | 48 | Very low | 170 Ų | 170 | 145.7 Ų | 145.7 | 89% | 0.89 | 79% | 0.786 | S | S | * | * | | | | -164.4 | 121.6 | 122.6 | -97.1 | 162.3 | 0 | 0 | 0 | 112.1 | | |
| 164 | S | 50.1 | Low | 48.2 | Very low | 89 Ų | 89 | 144.6 Ų | 144.6 | 62% | 0.622 | 79% | 0.785 | S | S | * | * | | | trans | -8.4 | 122.9 | 161 | 51.6 | 0 | 0 | 0 | 0 | 119.5 | | |
| 165 | T | 43.6 | Very low | 48.2 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | | 56.1 | 111.2 | 90.5 | 60.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 166 | K | 54.4 | Low | 48.1 | Very low | 214 Ų | 214 | 142.9 Ų | 142.9 | 93% | 0.93 | 78% | 0.781 | S | S | * | * | | | | -167.5 | 144.8 | 128.2 | -101.9 | 168.1 | -171.1 | -173.4 | 0 | 111.6 | | |
| 167 | Q | 48.6 | Very low | 47.7 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | -82.7 | 150.4 | -157.7 | -63.2 | 161 | -31.7 | 0 | 0 | 113.6 | | |
| 168 | A | 46.1 | Very low | 48 | Very low | 107 Ų | 107 | 137.8 Ų | 137.8 | 88% | 0.884 | 78% | 0.78 | S | S | * | * | | | trans | -151.1 | 99 | 145.4 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 169 | T | 43.7 | Very low | 47 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | | | trans | -76.6 | 125.5 | 174.6 | -48.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 170 | S | 47.1 | Very low | 48.1 | Very low | 106 Ų | 106 | 142 Ų | 142 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | | | trans | -143.5 | 103.3 | 156.9 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | | |
| 171 | T | 41.2 | Very low | 47.5 | Very low | 105 Ų | 105 | 142.3 Ų | 142.3 | 64% | 0.644 | 79% | 0.792 | S | S | * | * | | | trans | -91.8 | 119.7 | 178.4 | -45.7 | 0 | 0 | 0 | 0 | 108 | | |
| 172 | F | 47.2 | Very low | 47.1 | Very low | 196 Ų | 196 | 139.8 Ų | 139.8 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | | | trans | -122.9 | 96.1 | 157.1 | -93.8 | -84 | 0 | 0 | 0 | 108.2 | | |
| 173 | S | 40.6 | Very low | 46.9 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | | | trans | -99.4 | 118.9 | 164 | 57.5 | 0 | 0 | 0 | 0 | 108 | | |
| 174 | V | 54.9 | Low | 46.6 | Very low | 137 Ų | 137 | 134 Ų | 134 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | | | trans | -130.6 | 112.1 | 159.2 | -174.9 | 0 | 0 | 0 | 0 | 107.3 | | |
| 175 | S | 49.1 | Very low | 46.3 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | | | trans | -69.4 | 151.6 | 175.8 | -62.1 | 0 | 0 | 0 | 0 | 112 | | |
| 176 | P | 47.6 | Very low | 46.2 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -93 | 118.5 | 168.2 | 34.1 | -24.1 | 0 | 0 | 0 | 109.2 | | |
| 177 | D | 44 | Very low | 45.8 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | 174 | 123.2 | 152.3 | -102.5 | -25.9 | 0 | 0 | 0 | 110.7 | | |
| 178 | S | 51.7 | Low | 45.6 | Very low | 120 Ų | 120 | 129.8 Ų | 129.8 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | | | trans | 171.9 | 91.9 | 141.8 | -79.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 179 | F | 42.4 | Very low | 45.5 | Very low | 204 Ų | 204 | 133.3 Ų | 133.3 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | | | trans | -88.2 | 135.4 | 153.1 | -76 | -88.6 | 0 | 0 | 0 | 108.4 | | |
| 180 | P | 61.8 | Low | 45.6 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | trans | -101.2 | 114.1 | 157.8 | 29.6 | -18.5 | 0 | 0 | 0 | 110.1 | | |
| 181 | L | 40.9 | Very low | 45.9 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | | | trans | -70.7 | 156 | 155.1 | -93.3 | 154.3 | 0 | 0 | 0 | 110.1 | | |
| 182 | A | 41.3 | Very low | 46.4 | Very low | 78 Ų | 78 | 141.6 Ų | 141.6 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | | | trans | 84.1 | 110.8 | 158.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 183 | N | 43.4 | Very low | 46.5 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | | | | -177.3 | 122.1 | 93.6 | -89.3 | -26.8 | 0 | 0 | 0 | 112.6 | | |
| 184 | S | 39.2 | Very low | 46.7 | Very low | 103 Ų | 103 | 144.3 Ų | 144.3 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -5.8 | 141.9 | 139.5 | -32.9 | 0 | 0 | 0 | 0 | 117.7 | | |
| 185 | V | 43.7 | Very low | 46.2 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | | 169.2 | 126.6 | 114.1 | 159 | 0 | 0 | 0 | 0 | 110.8 | | |
| 186 | S | 42.5 | Very low | 45.8 | Very low | 94 Ų | 94 | 144.6 Ų | 144.6 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | trans | 7.8 | 141 | 158.7 | 64.6 | 0 | 0 | 0 | 0 | 121.8 | | |
| 187 | E | 44.5 | Very low | 46 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | | 179.3 | 146.3 | 88.7 | -101.3 | -165.1 | 120.6 | 0 | 0 | 112.8 | | |
| 188 | Q | 43.9 | Very low | 46.1 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | trans | 29.6 | 133 | 144.5 | -53.8 | -172.8 | 31.6 | 0 | 0 | 118.5 | | |
| 189 | Q | 45.7 | Very low | 45.7 | Very low | 181 Ų | 181 | 142 Ų | 142 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | | -176.1 | 150.5 | 59.6 | -159.4 | 162 | -15.1 | 0 | 0 | 111.5 | | |
| 190 | K | 44.4 | Very low | 45.8 | Very low | 202 Ų | 202 | 138.2 Ų | 138.2 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | | | trans | -69.7 | 145.4 | -177 | -68.4 | 162.6 | 171.7 | 170.3 | 0 | 114.7 | | |
| 191 | S | 54.4 | Low | 45.3 | Very low | 108 Ų | 108 | 137.1 Ų | 137.1 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | | | | -178.4 | 113 | 128.2 | 37 | 0 | 0 | 0 | 0 | 109.5 | | |
| 192 | K | 50.3 | Low | 45.8 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | | 59.5 | 100.7 | 103.4 | -71.3 | -177.9 | 178.7 | 178 | 0 | 113.4 | | |
| 193 | D | 49.7 | Very low | 46.4 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | | -169.4 | 152.2 | 106.4 | -93.8 | -19.7 | 0 | 0 | 0 | 114.1 | | |
| 194 | K | 45.3 | Very low | 46.7 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -108.2 | 117.7 | -159.6 | 169.5 | -168.6 | -178.9 | -167.9 | 0 | 108.2 | | |
| 195 | V | 45.3 | Very low | 47.5 | Very low | 134 Ų | 134 | 140 Ų | 140 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | | | trans | -138.4 | 118 | 158.8 | -179 | 0 | 0 | 0 | 0 | 109.5 | I197 | V195-I197 HydrophobicContact CG1-CD1 4.48Å; V195-I197 HydrophobicContact CG1-CG1 4.26Å |
| 196 | T | 40.7 | Very low | 48.1 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 72% | 0.718 | 77% | 0.766 | S | S | * | * | | | trans | -105.3 | 124.7 | 178 | -55.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 197 | I | 50.2 | Low | 48.7 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | -141 | 83.7 | 163.5 | -48.7 | 175.9 | 0 | 0 | 0 | 104.9 | V195 | V195-I197 HydrophobicContact CG1-CD1 4.48Å; V195-I197 HydrophobicContact CG1-CG1 4.26Å |
| 198 | S | 46.5 | Very low | 49.2 | Very low | 95 Ų | 95 | 143.1 Ų | 143.1 | 66% | 0.664 | 78% | 0.78 | S | S | * | * | | | | 66.3 | 114.6 | 89 | 90.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 199 | A | 42.6 | Very low | 49.8 | Very low | 90 Ų | 90 | 147.8 Ų | 147.8 | 74% | 0.744 | 79% | 0.791 | S | S | * | * | | | trans | 65.8 | 103.3 | 153 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 200 | C | 44.6 | Very low | 50 | Low | 126 Ų | 126 | 143.9 Ų | 143.9 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | | 66.3 | 148.6 | 74.4 | -65.9 | 0 | 0 | 0 | 0 | 114.1 | | |
| 201 | P | 53.1 | Low | 50.1 | Low | 104 Ų | 104 | 143.1 Ų | 143.1 | 68% | 0.675 | 78% | 0.783 | S | S | * | * | | | cis | -137.6 | 159.1 | 3.7 | 34.7 | -13.7 | 0 | 0 | 0 | 116.6 | | |
| 202 | N | 51 | Low | 49.6 | Very low | 152 Ų | 152 | 146 Ų | 146 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | | | trans | 41 | 97.3 | 135.6 | -58.9 | -21.2 | 0 | 0 | 0 | 119.4 | | |
| 203 | K | 54.3 | Low | 49.6 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 90% | 0.904 | 79% | 0.79 | S | S | * | * | | | trans | -138.8 | 112.3 | 137.6 | -67.8 | -167.7 | -179.1 | 179.5 | 0 | 110.3 | | |
| 204 | S | 48.4 | Very low | 49.7 | Very low | 82 Ų | 82 | 144.8 Ų | 144.8 | 57% | 0.573 | 78% | 0.782 | S | S | * | * | | | trans | -62.7 | 136 | 175.3 | 158.5 | 0 | 0 | 0 | 0 | 111.3 | A206 K207 | S204-A206 PolarHBondContact O-N 3.46Å; S204-A206 WeakPolarHBondContact OG-CB 3.25Å; S204-A206 PolarHBondContact OG-N 3.01Å; S204-K207 PolarHBondContact O-N 3.16Å |
| 205 | P | 55.5 | Low | 49.6 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 79% | 0.792 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -61.9 | -10.2 | 175.4 | -20.7 | 31.8 | 0 | 0 | 0 | 114.6 | K207 | P205-K207 VanDerWaalsContact C-N 3.31Å; P205-K207 PolarHBondContact O-N 3.37Å |
| 206 | A | 57.3 | Low | 49.7 | Very low | 85 Ų | 85 | 146.3 Ų | 146.3 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | G | 310 helix | trans | -78.1 | -9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S204 | S204-A206 PolarHBondContact O-N 3.46Å; S204-A206 WeakPolarHBondContact OG-CB 3.25Å; S204-A206 PolarHBondContact OG-N 3.01Å |
| 207 | K | 56.1 | Low | 50.1 | Low | 183 Ų | 183 | 151.3 Ų | 151.3 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | G | 310 helix | trans | -96.7 | 4 | -179.3 | -128.1 | 174 | -175.5 | 179.4 | 0 | 115 | S204 P205 | S204-K207 PolarHBondContact O-N 3.16Å; P205-K207 VanDerWaalsContact C-N 3.31Å; P205-K207 PolarHBondContact O-N 3.37Å |
| 208 | M | 54.8 | Low | 49.5 | Very low | 177 Ų | 177 | 149.5 Ų | 149.5 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -97 | 8.1 | -178 | -146.9 | 171.7 | 57.8 | 0 | 0 | 113.4 | | |
| 209 | R | 56.7 | Low | 49.5 | Very low | 246 Ų | 246 | 151.1 Ų | 151.1 | 93% | 0.928 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -113.9 | 2.6 | -174.1 | -97.1 | -177.8 | 169.8 | 168.9 | -3.3 | 115.7 | | |
| 210 | S | 50.1 | Low | 49.7 | Very low | 99 Ų | 99 | 158.5 Ų | 158.5 | 69% | 0.692 | 81% | 0.813 | S | S | * | * | S | Bend | trans | -109.7 | 7.5 | -174.7 | 57.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 211 | E | 46.1 | Very low | 50 | Low | 185 Ų | 185 | 158.1 Ų | 158.1 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | | | trans | -141.4 | 62.6 | -170.9 | -148.5 | 168.4 | -160.2 | 0 | 0 | 111.8 | | |
| 212 | M | 43.1 | Very low | 50.2 | Low | 170 Ų | 170 | 162.7 Ų | 162.7 | 84% | 0.837 | 82% | 0.821 | S | S | * | * | | | trans | -148.1 | 44.6 | 159.3 | -122.2 | -175.2 | 64.9 | 0 | 0 | 109.6 | I214 | M212-I214 VanDerWaalsContact C-N 3.26Å; M212-I214 PolarHBondContact O-N 3.2Å |
| 213 | Q | 51.1 | Low | 50.3 | Low | 194 Ų | 194 | 164 Ų | 164 | 91% | 0.907 | 82% | 0.822 | S | S | * | * | | | trans | -87 | 75 | 155.9 | -78.9 | -173.4 | 0.4 | 0 | 0 | 107.4 | Q215 | Q213-Q215 PolarHBondContact O-N 2.96Š|
| 214 | I | 51.4 | Low | 50.6 | Low | 141 Ų | 141 | 159.7 Ų | 159.7 | 72% | 0.723 | 82% | 0.815 | S | S | * | * | | | trans | -84.7 | 115.4 | 164.4 | -63.4 | 176.5 | 0 | 0 | 0 | 106.7 | M212 L216 | M212-I214 VanDerWaalsContact C-N 3.26Å; M212-I214 PolarHBondContact O-N 3.2Å; I214-L216 PolarHBondContact O-N 3.38Å; I214-L216 VanDerWaalsContact O-N 3.15Å |
| 215 | Q | 42.3 | Very low | 50.6 | Low | 171 Ų | 171 | 162 Ų | 162 | 80% | 0.799 | 83% | 0.826 | S | S | * | * | | | trans | -43.8 | 110 | 169.1 | -71.4 | 156.2 | -9.5 | 0 | 0 | 111.2 | Q213 | Q213-Q215 PolarHBondContact O-N 2.96Š|
| 216 | L | 47.8 | Very low | 50.4 | Low | 176 Ų | 176 | 163.8 Ų | 163.8 | 92% | 0.921 | 83% | 0.829 | S | S | * | * | | | trans | -114 | 69.1 | 152.6 | -68.9 | 175.7 | 0 | 0 | 0 | 107.4 | I214 | I214-L216 PolarHBondContact O-N 3.38Å; I214-L216 VanDerWaalsContact O-N 3.15Å |
| 217 | R | 49.4 | Very low | 50 | Low | 222 Ų | 222 | 164.5 Ų | 164.5 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | | | trans | -82.1 | 136.6 | 158.4 | -86.8 | -173.9 | 177 | 166.2 | -0.3 | 107.9 | | |
| 218 | C | 38.2 | Very low | 49.7 | Very low | 112 Ų | 112 | 163.5 Ų | 163.5 | 76% | 0.757 | 83% | 0.831 | S | S | * | * | | | trans | 64.4 | 101.8 | 149.5 | -59 | 0 | 0 | 0 | 0 | 117.4 | | |
| 219 | S | 45.3 | Very low | 49.5 | Very low | 128 Ų | 128 | 161.5 Ų | 161.5 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | | | trans | -135.6 | 84 | 139.2 | -68.2 | 0 | 0 | 0 | 0 | 107.9 | S221 | S219-S221 PolarHBondContact O-N 3.19Š|
| 220 | R | 47.6 | Very low | 48.9 | Very low | 245 Ų | 245 | 153 Ų | 153 | 93% | 0.925 | 82% | 0.817 | S | S | * | * | | | trans | -67 | 107.9 | 158.2 | -83.1 | 179.6 | 165.7 | -177.3 | -5 | 106.1 | K222 | R220-K222 PolarHBondContact O-N 3.3Š|
| 221 | S | 50.8 | Low | 48.9 | Very low | 118 Ų | 118 | 157.8 Ų | 157.8 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -72 | 124.1 | 166.9 | 64.2 | 0 | 0 | 0 | 0 | 108.4 | S219 | S219-S221 PolarHBondContact O-N 3.19Š|
| 222 | K | 57 | Low | 48.8 | Very low | 200 Ų | 200 | 156 Ų | 156 | 87% | 0.87 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 119.6 | 169.2 | -69.4 | -174.3 | 175.1 | -176.1 | 0 | 107.5 | R220 | R220-K222 PolarHBondContact O-N 3.3Š|
| 223 | Q | 52.7 | Low | 49 | Very low | 179 Ų | 179 | 153.4 Ų | 153.4 | 84% | 0.836 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -74 | 137.7 | 157.1 | -87.9 | -170 | -37.4 | 0 | 0 | 109 | | |
| 224 | P | 60.2 | Low | 48.9 | Very low | 118 Ų | 118 | 154 Ų | 154 | 77% | 0.766 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -77 | 133.6 | 159.7 | 29.7 | -27.1 | 0 | 0 | 0 | 109.7 | | |
| 225 | V | 50.1 | Low | 49 | Very low | 131 Ų | 131 | 151.8 Ų | 151.8 | 79% | 0.794 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 116.5 | 172.9 | 179.7 | 0 | 0 | 0 | 0 | 107 | | |
| 226 | D | 51.5 | Low | 49.3 | Very low | 160 Ų | 160 | 151.7 Ų | 151.7 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | | | trans | -113.8 | 115.2 | 158.9 | -85.6 | -36 | 0 | 0 | 0 | 108.7 | | |
| 227 | S | 48.2 | Very low | 49.8 | Very low | 99 Ų | 99 | 151.9 Ų | 151.9 | 69% | 0.692 | 81% | 0.811 | S | S | * | * | | | trans | -75.1 | 128.1 | 173.9 | 52.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 228 | L | 50.1 | Low | 50.5 | Low | 163 Ų | 163 | 151 Ų | 151 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -157.6 | 109.4 | 150.1 | -107.3 | 138.1 | 0 | 0 | 0 | 111.2 | | |
| 229 | V | 49.7 | Very low | 51.6 | Low | 135 Ų | 135 | 151 Ų | 151 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | 45 | 114.5 | 135.6 | -175.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 230 | G | 45.2 | Very low | 52.3 | Low | 66 Ų | 66 | 150.1 Ų | 150.1 | 68% | 0.68 | 80% | 0.804 | S | S | * | * | | | trans | -74.3 | 172.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 231 | K | 49.9 | Very low | 53 | Low | 201 Ų | 201 | 144.2 Ų | 144.2 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -164.8 | 117.2 | 143.5 | -104.6 | 167.6 | -175.9 | 179.7 | 0 | 107.9 | V233 | K231-V233 PolarHBondContact O-N 3.02Š|
| 232 | T | 42.6 | Very low | 53.1 | Low | 146 Ų | 146 | 145.3 Ų | 145.3 | 90% | 0.896 | 80% | 0.798 | S | S | * | * | | | trans | -71.8 | 116.6 | 175.2 | -18.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 233 | V | 47.3 | Very low | 52.6 | Low | 116 Ų | 116 | 143 Ų | 143 | 70% | 0.703 | 80% | 0.796 | S | S | * | * | | | trans | -128.7 | 107.5 | 164.7 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | K231 V235 | K231-V233 PolarHBondContact O-N 3.02Å; V233-V235 HydrophobicContact CG1-CG2 3.68Å; V233-V235 PolarHBondContact O-N 3.49Å |
| 234 | K | 49.5 | Very low | 52.7 | Low | 207 Ų | 207 | 142.7 Ų | 142.7 | 90% | 0.9 | 80% | 0.798 | S | S | * | * | | | trans | -66.8 | 110.1 | 165.8 | -87.7 | 179.7 | 172.3 | 176.9 | 0 | 107.8 | | |
| 235 | V | 54 | Low | 52.2 | Low | 95 Ų | 95 | 143.7 Ų | 143.7 | 58% | 0.576 | 80% | 0.802 | S | S | * | * | | | trans | -117.8 | 105.7 | 166.5 | -178.9 | 0 | 0 | 0 | 0 | 108.5 | V233 K237 | V233-V235 HydrophobicContact CG1-CG2 3.68Å; V233-V235 PolarHBondContact O-N 3.49Å; V235-K237 HydrophobicContact CG1-CD 4.05Å; V235-K237 HydrophobicContact CG1-CG 3.91Å; V235-K237 PolarHBondContact O-N 3.13Å |
| 236 | N | 47.8 | Very low | 52.4 | Low | 168 Ų | 168 | 142.6 Ų | 142.6 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -63.8 | 111 | 163.2 | -79.8 | -27.8 | 0 | 0 | 0 | 108.8 | | |
| 237 | K | 58.5 | Low | 52.8 | Low | 181 Ų | 181 | 138.3 Ų | 138.3 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | | | trans | -132.3 | 111.6 | 163.6 | -83.4 | 179.1 | -177.8 | -176.1 | 0 | 109.4 | V235 | V235-K237 HydrophobicContact CG1-CD 4.05Å; V235-K237 HydrophobicContact CG1-CG 3.91Å; V235-K237 PolarHBondContact O-N 3.13Å |
| 238 | K | 64.1 | Low | 53.7 | Low | 202 Ų | 202 | 142.8 Ų | 142.8 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 137.2 | 165.2 | -86.4 | 176.3 | 171.8 | 175.8 | 0 | 109.2 | | |
| 239 | P | 62 | Low | 54.7 | Low | 113 Ų | 113 | 137 Ų | 137 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 141.7 | 168.3 | 27.2 | -31.9 | 0 | 0 | 0 | 109.3 | | |
| 240 | P | 60.3 | Low | 55.8 | Low | 110 Ų | 110 | 136.2 Ų | 136.2 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 152.3 | 172.9 | 27.6 | -32.7 | 0 | 0 | 0 | 110.2 | V242 | P240-V242 PolarHBondContact O-N 3.34Š|
| 241 | P | 61.2 | Low | 57.4 | Low | 121 Ų | 121 | 139.4 Ų | 139.4 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 131.8 | 178.4 | 25 | -32.5 | 0 | 0 | 0 | 110.4 | N243 | P241-N243 PolarHBondContact O-N 3.46Š|
| 242 | V | 53.5 | Low | 58.7 | Low | 140 Ų | 140 | 131.3 Ų | 131.3 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | | | trans | -60.8 | 114.9 | 174.8 | -168.5 | 0 | 0 | 0 | 0 | 107.8 | P240 L244 | P240-V242 PolarHBondContact O-N 3.34Å; V242-L244 PolarHBondContact O-N 3.08Å |
| 243 | N | 47.1 | Very low | 60.5 | Low | 153 Ų | 153 | 128.7 Ų | 128.7 | 82% | 0.818 | 71% | 0.706 | S | S | * | * | | | trans | -61.2 | 121.2 | 173.9 | -94.4 | -32.8 | 0 | 0 | 0 | 109.1 | P241 V245 | P241-N243 PolarHBondContact O-N 3.46Å; N243-V245 PolarHBondContact O-N 3.01Å; N243-V245 VanDerWaalsContact O-N 3.12Å |
| 244 | L | 54.5 | Low | 62.1 | Low | 171 Ų | 171 | 126.3 Ų | 126.3 | 90% | 0.895 | 69% | 0.692 | S | S | * | * | | | trans | -57.5 | 115 | 172.7 | -71.5 | 162.5 | 0 | 0 | 0 | 108.8 | V242 S246 | V242-L244 PolarHBondContact O-N 3.08Å; L244-S246 PolarHBondContact O-N 3.15Å |
| 245 | V | 48.9 | Very low | 63.8 | Low | 139 Ų | 139 | 121.6 Ų | 121.6 | 84% | 0.842 | 68% | 0.676 | S | S | * | * | | | trans | -54.7 | 119.5 | 176.1 | 175.9 | 0 | 0 | 0 | 0 | 108.9 | N243 A247 | N243-V245 PolarHBondContact O-N 3.01Å; N243-V245 VanDerWaalsContact O-N 3.12Å; V245-A247 PolarHBondContact O-N 3.15Å; V245-A247 VanDerWaalsContact O-N 3.1Å |
| 246 | S | 54.1 | Low | 65.3 | Low | 108 Ų | 108 | 121.6 Ų | 121.6 | 76% | 0.755 | 67% | 0.668 | S | S | * | * | | | trans | -56 | 114.4 | 173.7 | 178.7 | 0 | 0 | 0 | 0 | 109.4 | L244 K248 | L244-S246 PolarHBondContact O-N 3.15Å; S246-K248 PolarHBondContact O-N 3.04Å |
| 247 | A | 59.7 | Low | 67.2 | Low | 71 Ų | 71 | 120.8 Ų | 120.8 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | | | trans | -65.9 | 97.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | V245 S249 P274 | V245-A247 PolarHBondContact O-N 3.15Å; V245-A247 VanDerWaalsContact O-N 3.1Å; A247-S249 PolarHBondContact O-N 3.2Å; A247-S249 VanDerWaalsContact O-N 3.13Å; A247-P274 HydrophobicContact CB-CG 3.61Å |
| 248 | K | 68.5 | Low | 68.3 | Low | 193 Ų | 193 | 113.9 Ų | 113.9 | 84% | 0.839 | 63% | 0.632 | S | S | * | * | | | trans | -62 | 114.8 | -178.5 | -133.9 | 163 | -176.1 | 170.6 | 0 | 108.7 | S246 F250 | S246-K248 PolarHBondContact O-N 3.04Å; K248-F250 PolarHBondContact O-N 3.46Å |
| 249 | S | 70.6 | Confident | 69.4 | Low | 40 Ų | 40 | 111.9 Ų | 111.9 | 28% | 0.28 | 63% | 0.631 | S | S | . | * | P | Polyproline II helix | trans | -58 | 130 | 173.4 | 63 | 0 | 0 | 0 | 0 | 109.4 | A247 R271 | A247-S249 PolarHBondContact O-N 3.2Å; A247-S249 VanDerWaalsContact O-N 3.13Å; S249-R271 PolarHBondContact OG-NE 3.18Å; S249-R271 PolarHBondContact OG-NH2 3.3Å |
| 250 | F | 72.7 | Confident | 70.7 | Confident | 119 Ų | 119 | 114.2 Ų | 114.2 | 52% | 0.522 | 63% | 0.629 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 150 | 172.5 | 54.2 | -88.7 | 0 | 0 | 0 | 110.2 | K248 V272 | K248-F250 PolarHBondContact O-N 3.46Å; F250-V272 HydrophobicContact CD2-CB 4.26Å; F250-V272 HydrophobicContact CE2-CB 3.8Å; F250-V272 HydrophobicContact CE2-CG1 4.3Å; F250-V272 HydrophobicContact CE2-CG2 4.18Å; F250-V272 HydrophobicContact CZ-CB 4.14Å; F250-V272 HydrophobicContact CZ-CG1 4.27Å; F250-V272 PolarHBondContact N-O 3.34Å; F250-V272 PolarHBondContact O-N 3.21Å |
| 251 | M | 79.2 | Confident | 71.8 | Confident | 134 Ų | 134 | 119.2 Ų | 119.2 | 66% | 0.66 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.3 | 121.1 | 173.9 | -64.8 | -114.3 | -75.1 | 0 | 0 | 107.6 | T269 | M251-T269 HydrophobicContact CB-CG2 4.01Å; M251-T269 HydrophobicContact CE-CG2 3.53Å; M251-T269 HydrophobicContact CG-CG2 4.49Å; M251-T269 HydrophobicContact SD-CG2 3.69Å |
| 252 | A | 77.8 | Confident | 73.1 | Confident | 30 Ų | 30 | 121.1 Ų | 121.1 | 25% | 0.248 | 64% | 0.643 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | T269 V270 V272 | A252-T269 WeakPolarHBondContact O-CA 3.26Å; A252-V270 PolarHBondContact N-O 3.2Å; A252-V270 PolarHBondContact O-N 3.27Å; A252-V272 HydrophobicContact CB-CG2 3.47Å; A252-V272 VanDerWaalsContact CB-CG2 3.47Å |
| 253 | V | 80.3 | Confident | 74.6 | Confident | 92 Ų | 92 | 117.1 Ų | 117.1 | 56% | 0.558 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102 | 117.2 | 172.1 | -177.9 | 0 | 0 | 0 | 0 | 107.3 | F267 T269 | V253-F267 HydrophobicContact CG1-CB 4.07Å; V253-F267 HydrophobicContact CG1-CD1 3.83Å; V253-F267 HydrophobicContact CG1-CG 4.36Å; V253-T269 HydrophobicContact CG2-CG2 4.35Å |
| 254 | T | 80.4 | Confident | 76.4 | Confident | 66 Ų | 66 | 114.8 Ų | 114.8 | 41% | 0.405 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.3 | 145.2 | 175.9 | 57 | 0 | 0 | 0 | 0 | 110 | Q268 | T254-Q268 PolarHBondContact N-O 3.35Å; T254-Q268 PolarHBondContact O-N 3.36Å; T254-Q268 PolarHBondContact OG1-O 3.27Å |
| 255 | L | 84.6 | Confident | 78 | Confident | 107 Ų | 107 | 114 Ų | 114 | 56% | 0.56 | 60% | 0.6 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.7 | 121.6 | 169.9 | -77.9 | 168.3 | 0 | 0 | 0 | 108.2 | W265 F267 | L255-W265 HydrophobicContact CB-CE3 4.06Å; L255-W265 HydrophobicContact CB-CZ3 4.1Å; L255-W265 HydrophobicContact CD2-CE3 4.34Å; L255-F267 HydrophobicContact CD2-CD1 3.63Å; L255-F267 HydrophobicContact CD2-CE1 3.34Å; L255-F267 HydrophobicContact CD2-CG 4.45Å; L255-F267 HydrophobicContact CD2-CZ 3.94Å; L255-F267 HydrophobicContact CG-CD1 4.38Å; L255-F267 HydrophobicContact CG-CE1 4.16Å |
| 256 | K | 86.4 | Confident | 79.7 | Confident | 95 Ų | 95 | 110.3 Ų | 110.3 | 41% | 0.413 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 123.7 | 174.6 | -171.8 | 175.4 | -175.9 | 175.3 | 0 | 109.2 | S266 Q268 | K256-S266 PolarHBondContact N-O 3.28Å; K256-Q268 HydrophobicContact CB-CB 4.43Å |
| 257 | E | 86.3 | Confident | 81.2 | Confident | 152 Ų | 152 | 112.6 Ų | 112.6 | 71% | 0.71 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 134.3 | 178.3 | -164.4 | 170.9 | -169.1 | 0 | 0 | 110.6 | L259 W265 | E257-L259 PolarHBondContact O-N 3.49Å; E257-W265 HydrophobicContact CB-CZ3 4.45Å; E257-W265 HydrophobicContact CG-CH2 4.33Å |
| 258 | P | 83.2 | Confident | 82.3 | Confident | 35 Ų | 35 | 113.4 Ų | 113.4 | 23% | 0.227 | 57% | 0.568 | C | S | . | * | P | Polyproline II helix | trans | -68.9 | 126.6 | -179.9 | 23.2 | -30.6 | 0 | 0 | 0 | 111.8 | K260 S263 | P258-K260 PolarHBondContact O-N 3.35Å; P258-K260 VanDerWaalsContact O-N 3.07Å; P258-S263 WeakPolarHBondContact CB-O 3.45Å |
| 259 | L | 85.3 | Confident | 83 | Confident | 161 Ų | 161 | 107.8 Ų | 107.8 | 84% | 0.843 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -62.6 | -15.5 | 178.8 | -92 | 87.2 | 0 | 0 | 0 | 114.4 | E257 | E257-L259 PolarHBondContact O-N 3.49Š|
| 260 | K | 89.8 | Confident | 83.4 | Confident | 162 Ų | 162 | 108.9 Ų | 108.9 | 70% | 0.704 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -132.9 | 143.1 | -179.1 | -63.5 | -177.5 | -179 | -179.5 | 0 | 108.8 | P258 N262 S263 | P258-K260 PolarHBondContact O-N 3.35Å; P258-K260 VanDerWaalsContact O-N 3.07Å; K260-N262 PolarHBondContact O-N 2.96Å; K260-S263 PolarHBondContact O-N 3.31Å |
| 261 | K | 84.5 | Confident | 83.7 | Confident | 215 Ų | 215 | 111.6 Ų | 111.6 | 94% | 0.935 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -19.1 | -177.8 | -80 | -176.2 | 175.8 | 178.6 | 0 | 115.4 | | |
| 262 | N | 87.4 | Confident | 83.5 | Confident | 160 Ų | 160 | 107.8 Ų | 107.8 | 86% | 0.856 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.2 | 10.7 | -179.4 | -61.7 | -20.8 | 0 | 0 | 0 | 114.1 | K260 | K260-N262 PolarHBondContact O-N 2.96Š|
| 263 | S | 86 | Confident | 83.4 | Confident | 57 Ų | 57 | 110.2 Ų | 110.2 | 40% | 0.399 | 56% | 0.561 | S | S | . | * | S | Bend | trans | -82.2 | 138.5 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 109.7 | P258 K260 | P258-S263 WeakPolarHBondContact CB-O 3.45Å; K260-S263 PolarHBondContact O-N 3.31Å |
| 264 | P | 83.6 | Confident | 82.8 | Confident | 104 Ų | 104 | 108.8 Ų | 108.8 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 150.5 | 174.8 | 26.4 | -33.7 | 0 | 0 | 0 | 110.8 | | |
| 265 | W | 88 | Confident | 82.1 | Confident | 155 Ų | 155 | 117.2 Ų | 117.2 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 140.5 | 168.6 | -73 | 83.3 | 0 | 0 | 0 | 109.7 | L255 E257 | L255-W265 HydrophobicContact CB-CE3 4.06Å; L255-W265 HydrophobicContact CB-CZ3 4.1Å; L255-W265 HydrophobicContact CD2-CE3 4.34Å; E257-W265 HydrophobicContact CB-CZ3 4.45Å; E257-W265 HydrophobicContact CG-CH2 4.33Å |
| 266 | S | 85.4 | Confident | 80.8 | Confident | 61 Ų | 61 | 115.7 Ų | 115.7 | 43% | 0.427 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -121.8 | 142.1 | 174.7 | 60.4 | 0 | 0 | 0 | 0 | 110 | K256 | K256-S266 PolarHBondContact N-O 3.28Å |
| 267 | F | 85.4 | Confident | 79 | Confident | 155 Ų | 155 | 114.1 Ų | 114.1 | 68% | 0.68 | 60% | 0.599 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.2 | 127.3 | 172.1 | -65.5 | -80.4 | 0 | 0 | 0 | 108.7 | V253 L255 | V253-F267 HydrophobicContact CG1-CB 4.07Å; V253-F267 HydrophobicContact CG1-CD1 3.83Å; V253-F267 HydrophobicContact CG1-CG 4.36Å; L255-F267 HydrophobicContact CD2-CD1 3.63Å; L255-F267 HydrophobicContact CD2-CE1 3.34Å; L255-F267 HydrophobicContact CD2-CG 4.45Å; L255-F267 HydrophobicContact CD2-CZ 3.94Å; L255-F267 HydrophobicContact CG-CD1 4.38Å; L255-F267 HydrophobicContact CG-CE1 4.16Å |
| 268 | Q | 84.1 | Confident | 77.7 | Confident | 88 Ų | 88 | 118.5 Ų | 118.5 | 41% | 0.411 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 123.2 | 171.2 | -173.1 | 170.9 | 5.1 | 0 | 0 | 108.3 | T254 K256 V270 | T254-Q268 PolarHBondContact N-O 3.35Å; T254-Q268 PolarHBondContact O-N 3.36Å; T254-Q268 PolarHBondContact OG1-O 3.27Å; K256-Q268 HydrophobicContact CB-CB 4.43Å; Q268-V270 HydrophobicContact CG-CG2 4.05Å |
| 269 | T | 82 | Confident | 76.4 | Confident | 76 Ų | 76 | 127.1 Ų | 127.1 | 47% | 0.466 | 64% | 0.639 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 122 | 172.8 | -53.5 | 0 | 0 | 0 | 0 | 108.5 | M251 A252 V253 | M251-T269 HydrophobicContact CB-CG2 4.01Å; M251-T269 HydrophobicContact CE-CG2 3.53Å; M251-T269 HydrophobicContact CG-CG2 4.49Å; M251-T269 HydrophobicContact SD-CG2 3.69Å; A252-T269 WeakPolarHBondContact O-CA 3.26Å; V253-T269 HydrophobicContact CG2-CG2 4.35Å |
| 270 | V | 79.8 | Confident | 75.3 | Confident | 63 Ų | 63 | 124.9 Ų | 124.9 | 38% | 0.382 | 63% | 0.634 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.7 | 177.9 | -173.1 | 0 | 0 | 0 | 0 | 108.1 | A252 Q268 V272 | A252-V270 PolarHBondContact N-O 3.2Å; A252-V270 PolarHBondContact O-N 3.27Å; Q268-V270 HydrophobicContact CG-CG2 4.05Å; V270-V272 PolarHBondContact O-N 3.46Å |
| 271 | R | 78.2 | Confident | 73.4 | Confident | 176 Ų | 176 | 125.9 Ų | 125.9 | 66% | 0.664 | 64% | 0.641 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -76.8 | 114.1 | 173.1 | -168.7 | 174.9 | -174 | 172.9 | -0.4 | 108.2 | S249 | S249-R271 PolarHBondContact OG-NE 3.18Å; S249-R271 PolarHBondContact OG-NH2 3.3Å |
| 272 | V | 75.2 | Confident | 71.9 | Confident | 54 Ų | 54 | 121.7 Ų | 121.7 | 33% | 0.327 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.9 | 105.9 | 177.4 | -160.2 | 0 | 0 | 0 | 0 | 107 | F250 A252 V270 | F250-V272 HydrophobicContact CD2-CB 4.26Å; F250-V272 HydrophobicContact CE2-CB 3.8Å; F250-V272 HydrophobicContact CE2-CG1 4.3Å; F250-V272 HydrophobicContact CE2-CG2 4.18Å; F250-V272 HydrophobicContact CZ-CB 4.14Å; F250-V272 HydrophobicContact CZ-CG1 4.27Å; F250-V272 PolarHBondContact N-O 3.34Å; F250-V272 PolarHBondContact O-N 3.21Å; A252-V272 HydrophobicContact CB-CG2 3.47Å; A252-V272 VanDerWaalsContact CB-CG2 3.47Å; V270-V272 PolarHBondContact O-N 3.46Å |
| 273 | S | 75.1 | Confident | 70 | Confident | 80 Ų | 80 | 123.5 Ų | 123.5 | 56% | 0.559 | 63% | 0.634 | S | S | * | * | | | trans | -78.3 | 127.9 | 165.1 | -67.4 | 0 | 0 | 0 | 0 | 107.3 | R275 | S273-R275 PolarHBondContact O-N 3.09Š|
| 274 | P | 68.2 | Low | 68.2 | Low | 63 Ų | 63 | 125.9 Ų | 125.9 | 41% | 0.409 | 65% | 0.651 | S | S | . | * | | | trans | -58.5 | 109.2 | 173.8 | 21.3 | -28.6 | 0 | 0 | 0 | 107.9 | A247 G276 | A247-P274 HydrophobicContact CB-CG 3.61Å; P274-G276 PolarHBondContact O-N 3.08Å; P274-G276 VanDerWaalsContact O-N 3.11Å |
| 275 | R | 66.9 | Low | 66.3 | Low | 243 Ų | 243 | 126.6 Ų | 126.6 | 92% | 0.917 | 66% | 0.658 | S | S | * | * | | | trans | -66.8 | 111.3 | 173.6 | -156.2 | 176.4 | -171.2 | -174.8 | 1.9 | 105 | S273 G277 | S273-R275 PolarHBondContact O-N 3.09Å; R275-G277 PolarHBondContact O-N 3.48Å |
| 276 | G | 56.2 | Low | 64.3 | Low | 74 Ų | 74 | 123.8 Ų | 123.8 | 76% | 0.763 | 67% | 0.668 | S | S | * | * | | | trans | -50.2 | 107.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | P274 R278 | P274-G276 PolarHBondContact O-N 3.08Å; P274-G276 VanDerWaalsContact O-N 3.11Å; G276-R278 PolarHBondContact O-N 3.45Å |
| 277 | G | 49.7 | Very low | 62.3 | Low | 62 Ų | 62 | 129 Ų | 129 | 64% | 0.639 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 116.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | R275 Y279 | R275-G277 PolarHBondContact O-N 3.48Å; G277-Y279 PolarHBondContact O-N 3.42Å; G277-Y279 VanDerWaalsContact O-N 3.17Å |
| 278 | R | 58.3 | Low | 60.1 | Low | 245 Ų | 245 | 126.6 Ų | 126.6 | 93% | 0.925 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 116.1 | 163.6 | -66.6 | -168.2 | -166.8 | -166.7 | 4.8 | 106.3 | G276 | G276-R278 PolarHBondContact O-N 3.45Š|
| 279 | Y | 56.2 | Low | 58.1 | Low | 216 Ų | 216 | 128.1 Ų | 128.1 | 85% | 0.847 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 137.8 | 167.1 | -83.6 | -92.3 | 0 | 0 | 0 | 108.5 | G277 E281 | G277-Y279 PolarHBondContact O-N 3.42Å; G277-Y279 VanDerWaalsContact O-N 3.17Å; Y279-E281 PolarHBondContact O-N 2.98Å |
| 280 | P | 61.2 | Low | 56.4 | Low | 114 Ų | 114 | 133.1 Ų | 133.1 | 74% | 0.74 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 127.7 | 168.2 | 26.2 | -30.7 | 0 | 0 | 0 | 108.2 | T282 | P280-T282 PolarHBondContact O-N 3.22Š|
| 281 | E | 51.3 | Low | 54.6 | Low | 182 Ų | 182 | 137.7 Ų | 137.7 | 85% | 0.85 | 74% | 0.742 | S | S | * | * | | | trans | -54.8 | 110.6 | 177.6 | -68.2 | -175.7 | 160.6 | 0 | 0 | 110.3 | Y279 K283 | Y279-E281 PolarHBondContact O-N 2.98Å; E281-K283 PolarHBondContact O-N 2.91Å; E281-K283 VanDerWaalsContact O-N 3.1Å |
| 282 | T | 52.4 | Low | 53.1 | Low | 127 Ų | 127 | 137.1 Ų | 137.1 | 78% | 0.779 | 75% | 0.752 | S | S | * | * | | | trans | -69 | 102.3 | 164 | 22.9 | 0 | 0 | 0 | 0 | 108.1 | P280 S284 | P280-T282 PolarHBondContact O-N 3.22Å; T282-S284 VanDerWaalsContact C-N 3.3Å; T282-S284 PolarHBondContact O-N 2.96Å; T282-S284 PolarHBondContact O-OG 3.06Å |
| 283 | K | 47.5 | Very low | 51.5 | Low | 199 Ų | 199 | 138 Ų | 138 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | | | trans | -59.3 | 91.5 | 169.5 | -67.2 | -177.8 | 179.4 | -179.9 | 0 | 109.6 | E281 S285 | E281-K283 PolarHBondContact O-N 2.91Å; E281-K283 VanDerWaalsContact O-N 3.1Å; K283-S285 PolarHBondContact O-N 3.26Å |
| 284 | S | 47 | Very low | 49.9 | Very low | 107 Ų | 107 | 145.5 Ų | 145.5 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | | | trans | -87.1 | 94.5 | 170 | -47 | 0 | 0 | 0 | 0 | 107 | T282 A286 | T282-S284 VanDerWaalsContact C-N 3.3Å; T282-S284 PolarHBondContact O-N 2.96Å; T282-S284 PolarHBondContact O-OG 3.06Å; S284-A286 PolarHBondContact O-N 3.48Å; S284-A286 VanDerWaalsContact O-N 3.1Å |
| 285 | S | 44.3 | Very low | 48.8 | Very low | 119 Ų | 119 | 148 Ų | 148 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -71.6 | 97.8 | 170 | -171.9 | 0 | 0 | 0 | 0 | 108.3 | K283 | K283-S285 PolarHBondContact O-N 3.26Š|
| 286 | A | 46.5 | Very low | 48.1 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | | | trans | -94.5 | 107.3 | 170 | 0 | 0 | 0 | 0 | 0 | 108.8 | S284 S288 | S284-A286 PolarHBondContact O-N 3.48Å; S284-A286 VanDerWaalsContact O-N 3.1Å; A286-S288 PolarHBondContact O-N 3.07Å |
| 287 | L | 42.2 | Very low | 47.6 | Very low | 169 Ų | 169 | 148.4 Ų | 148.4 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -63.4 | 120.7 | 160.4 | -72.7 | 158.6 | 0 | 0 | 0 | 108.9 | | |
| 288 | S | 40.1 | Very low | 47.8 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | -176.9 | 106.4 | 136.5 | -172 | 0 | 0 | 0 | 0 | 109.7 | A286 | A286-S288 PolarHBondContact O-N 3.07Š|
| 289 | V | 42.4 | Very low | 47.3 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | | | trans | -82.9 | 119.4 | 166.1 | 171 | 0 | 0 | 0 | 0 | 106.9 | | |
| 290 | H | 45.1 | Very low | 46.6 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -145.9 | 105.6 | 153.4 | -98.4 | -75.1 | 0 | 0 | 0 | 109.7 | | |
| 291 | H | 43.4 | Very low | 46.1 | Very low | 159 Ų | 159 | 143.4 Ų | 143.4 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | | | trans | -68.9 | 137.4 | 164 | -79.6 | -73.4 | 0 | 0 | 0 | 110.3 | | |
| 292 | N | 45.2 | Very low | 45.9 | Very low | 164 Ų | 164 | 142.8 Ų | 142.8 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | | | | 161.5 | 130.6 | 119 | -82.7 | -22.8 | 0 | 0 | 0 | 111.9 | | |
| 293 | G | 41.6 | Very low | 45.7 | Very low | 73 Ų | 73 | 144.8 Ų | 144.8 | 75% | 0.753 | 82% | 0.819 | S | S | * | * | | | trans | 123.8 | 99.5 | 137.6 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 294 | R | 43.1 | Very low | 45.3 | Very low | 236 Ų | 236 | 143.1 Ų | 143.1 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | | | trans | 64.6 | 104.9 | 140.6 | -78.9 | -175.4 | 174.3 | 171 | -1.6 | 119.2 | | |
| 295 | T | 43.7 | Very low | 45.3 | Very low | 116 Ų | 116 | 146.4 Ų | 146.4 | 71% | 0.712 | 82% | 0.823 | S | S | * | * | | | | 60.3 | 108.3 | 88.9 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 296 | T | 52.7 | Low | 45.5 | Very low | 143 Ų | 143 | 150.7 Ų | 150.7 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | | | | -167.5 | 144.1 | 108.9 | 30.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 297 | E | 45.6 | Very low | 45.5 | Very low | 183 Ų | 183 | 150.8 Ų | 150.8 | 86% | 0.855 | 83% | 0.828 | S | S | * | * | | | trans | -56.9 | 151.3 | -179.5 | -63.3 | 153.4 | 175 | 0 | 0 | 112.7 | | |
| 298 | S | 54.5 | Low | 45.8 | Very low | 113 Ų | 113 | 151.8 Ų | 151.8 | 79% | 0.79 | 83% | 0.828 | S | S | * | * | | | | 163.6 | 130.7 | 124.7 | -80.9 | 0 | 0 | 0 | 0 | 112 | | |
| 299 | S | 47 | Very low | 46.2 | Very low | 120 Ų | 120 | 151.9 Ų | 151.9 | 84% | 0.839 | 83% | 0.829 | S | S | * | * | | | trans | 80.8 | 77.6 | 149.7 | -55.8 | 0 | 0 | 0 | 0 | 118.8 | | |
| 300 | S | 40.9 | Very low | 46.4 | Very low | 120 Ų | 120 | 157.6 Ų | 157.6 | 84% | 0.839 | 84% | 0.837 | S | S | * | * | | | trans | -98 | 86.2 | 152.4 | 56.1 | 0 | 0 | 0 | 0 | 110 | | |
| 301 | Q | 51.2 | Low | 46.5 | Very low | 178 Ų | 178 | 156.8 Ų | 156.8 | 83% | 0.832 | 84% | 0.838 | S | S | * | * | | | trans | -150.3 | 136.5 | 159.8 | -73.1 | -170.9 | -6.6 | 0 | 0 | 106.7 | | |
| 302 | L | 47.4 | Very low | 46.9 | Very low | 169 Ų | 169 | 157.1 Ų | 157.1 | 89% | 0.885 | 85% | 0.845 | S | S | * | * | | | trans | 106.2 | 87.7 | -176 | -65.1 | 157.8 | 0 | 0 | 0 | 113.4 | | |
| 303 | L | 47.4 | Very low | 47.3 | Very low | 170 Ų | 170 | 157.2 Ų | 157.2 | 89% | 0.89 | 85% | 0.845 | S | S | * | * | | | | 175.8 | 69.8 | 122.8 | -88.5 | 162.6 | 0 | 0 | 0 | 108.5 | | |
| 304 | D | 41 | Very low | 47.5 | Very low | 164 Ų | 164 | 161.9 Ų | 161.9 | 88% | 0.877 | 85% | 0.853 | S | S | * | * | | | trans | -112.8 | 92.2 | 156.5 | -90.4 | -28.1 | 0 | 0 | 0 | 106.2 | | |
| 305 | E | 45.8 | Very low | 47.6 | Very low | 176 Ų | 176 | 153.9 Ų | 153.9 | 82% | 0.822 | 84% | 0.844 | S | S | * | * | | | trans | 179.9 | 143.1 | 159.2 | -113.6 | 172.6 | 147.2 | 0 | 0 | 108.4 | | |
| 306 | F | 47.8 | Very low | 47.6 | Very low | 208 Ų | 208 | 154.8 Ų | 154.8 | 91% | 0.912 | 85% | 0.849 | S | S | * | * | S | Bend | trans | 103.7 | 21.5 | -177.6 | -73.1 | -85.8 | 0 | 0 | 0 | 119.3 | | |
| 307 | A | 48.3 | Very low | 47.5 | Very low | 98 Ų | 98 | 156 Ų | 156 | 81% | 0.81 | 85% | 0.845 | S | S | * | * | S | Bend | trans | -125.7 | 45 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 308 | E | 47.2 | Very low | 47.6 | Very low | 190 Ų | 190 | 158 Ų | 158 | 89% | 0.888 | 85% | 0.845 | S | S | * | * | | | trans | -162.6 | 96.9 | 165.4 | -113.5 | 175.3 | -148 | 0 | 0 | 110.7 | | |
| 309 | S | 48.3 | Very low | 47.8 | Very low | 108 Ų | 108 | 158.4 Ų | 158.4 | 76% | 0.755 | 85% | 0.848 | S | S | * | * | | | trans | -167.7 | 137.5 | 150.6 | 43.1 | 0 | 0 | 0 | 0 | 111 | | |
| 310 | R | 47.5 | Very low | 47.8 | Very low | 239 Ų | 239 | 160.8 Ų | 160.8 | 90% | 0.902 | 85% | 0.851 | S | S | * | * | | | trans | 93.1 | 52.6 | 166.6 | -47.5 | -172.2 | -175.5 | -161.4 | -0.9 | 116.8 | | |
| 311 | L | 46 | Very low | 48.2 | Very low | 165 Ų | 165 | 157.9 Ų | 157.9 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | | | | -73.5 | 153.8 | 126 | -111.8 | 92.1 | 0 | 0 | 0 | 108.9 | | |
| 312 | L | 52.9 | Low | 48.3 | Very low | 166 Ų | 166 | 160 Ų | 160 | 87% | 0.869 | 85% | 0.847 | S | S | * | * | | | trans | 98.4 | 91 | 175.9 | -54.8 | 169.9 | 0 | 0 | 0 | 116.1 | | |
| 313 | N | 53.6 | Low | 48.2 | Very low | 166 Ų | 166 | 160.9 Ų | 160.9 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | | | | -167.5 | 101.9 | 118.1 | -110.5 | -11.8 | 0 | 0 | 0 | 111 | | |
| 314 | N | 45.5 | Very low | 48.2 | Very low | 172 Ų | 172 | 157.3 Ų | 157.3 | 92% | 0.92 | 84% | 0.836 | S | S | * | * | | | trans | -95.8 | 135.3 | 160.9 | -77.5 | -30.3 | 0 | 0 | 0 | 107.7 | | |
| 315 | G | 46.3 | Very low | 48.8 | Very low | 68 Ų | 68 | 158.2 Ų | 158.2 | 70% | 0.701 | 84% | 0.839 | S | S | * | * | | | trans | 152.3 | 94.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 316 | T | 43.1 | Very low | 49.1 | Very low | 134 Ų | 134 | 156.7 Ų | 156.7 | 82% | 0.822 | 84% | 0.835 | S | S | * | * | | | trans | 64.6 | 110 | 131.4 | -43.2 | 0 | 0 | 0 | 0 | 120 | | |
| 317 | Q | 50.3 | Low | 48.9 | Very low | 170 Ų | 170 | 152.3 Ų | 152.3 | 79% | 0.794 | 83% | 0.83 | S | S | * | * | | | | 175 | 116 | 119.2 | -95 | -166.7 | 21 | 0 | 0 | 110.3 | | |
| 318 | R | 48.1 | Very low | 49.1 | Very low | 225 Ų | 225 | 151.8 Ų | 151.8 | 85% | 0.849 | 83% | 0.826 | S | S | * | * | | | | 60.1 | 108.4 | 109 | -77.9 | -176.3 | 160.9 | -179.4 | -4.7 | 116 | | |
| 319 | S | 58.1 | Low | 49.5 | Very low | 121 Ų | 121 | 151.9 Ų | 151.9 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | | | | -178 | 127.5 | 106.3 | 38.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 320 | D | 46.2 | Very low | 49.7 | Very low | 170 Ų | 170 | 155 Ų | 155 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | | | trans | -66.9 | 156.8 | 168.3 | -65.3 | -63.9 | 0 | 0 | 0 | 111.9 | | |
| 321 | G | 49.9 | Very low | 49.8 | Very low | 59 Ų | 59 | 150.3 Ų | 150.3 | 61% | 0.608 | 82% | 0.819 | S | S | * | * | | | trans | 129.2 | 106.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 322 | F | 54 | Low | 50.5 | Low | 222 Ų | 222 | 150.3 Ų | 150.3 | 97% | 0.974 | 82% | 0.82 | S | S | * | * | | | | -178.4 | 74.6 | 123.1 | -82.1 | -60 | 0 | 0 | 0 | 108 | | |
| 323 | Q | 45.5 | Very low | 50.5 | Low | 188 Ų | 188 | 151.2 Ų | 151.2 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | | | trans | -101.2 | 151 | 149.3 | -74.9 | -157.3 | 21.6 | 0 | 0 | 108.1 | | |
| 324 | S | 47.8 | Very low | 50.6 | Low | 95 Ų | 95 | 146.6 Ų | 146.6 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | | | trans | 93.7 | 99.4 | 170.9 | -50.3 | 0 | 0 | 0 | 0 | 116.9 | | |
| 325 | I | 52.3 | Low | 51.3 | Low | 183 Ų | 183 | 147.9 Ų | 147.9 | 94% | 0.938 | 81% | 0.809 | S | S | * | * | | | trans | -118.7 | 91 | 135.8 | -60.7 | 179.9 | 0 | 0 | 0 | 105.8 | | |
| 326 | L | 53.1 | Low | 52 | Low | 143 Ų | 143 | 154.4 Ų | 154.4 | 75% | 0.749 | 82% | 0.821 | S | S | * | * | | | trans | -84.3 | 147.3 | 170.4 | -105.7 | 156.8 | 0 | 0 | 0 | 109.3 | | |
| 327 | S | 43.1 | Very low | 53.1 | Low | 116 Ų | 116 | 151.4 Ų | 151.4 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | | | trans | -25.3 | 134.1 | 161.6 | -61.8 | 0 | 0 | 0 | 0 | 116.1 | | |
| 328 | A | 52.9 | Low | 53.4 | Low | 87 Ų | 87 | 157.2 Ų | 157.2 | 72% | 0.719 | 84% | 0.839 | S | S | * | * | | | trans | -147.1 | 117.1 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 329 | K | 54.9 | Low | 53.6 | Low | 193 Ų | 193 | 153.9 Ų | 153.9 | 84% | 0.839 | 84% | 0.839 | S | S | * | * | | | trans | 57.7 | 108.2 | 132.9 | -60.9 | 179.3 | 175.2 | -176.1 | 0 | 116.8 | | |
| 330 | Q | 52.9 | Low | 53.4 | Low | 172 Ų | 172 | 155.6 Ų | 155.6 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | | | | 58.9 | 116.1 | 62.3 | -154.8 | 179.3 | 5.3 | 0 | 0 | 113.7 | | |
| 331 | N | 48.6 | Very low | 53.8 | Low | 141 Ų | 141 | 154.8 Ų | 154.8 | 75% | 0.754 | 84% | 0.835 | S | S | * | * | | | trans | 62.4 | 109.3 | 160.6 | -72.2 | -2.3 | 0 | 0 | 0 | 119 | | |
| 332 | D | 62.2 | Low | 54 | Low | 165 Ų | 165 | 160.4 Ų | 160.4 | 88% | 0.882 | 85% | 0.848 | S | S | * | * | | | trans | -138.6 | 120.3 | 133.1 | -156 | 3.7 | 0 | 0 | 0 | 109.7 | | |
| 333 | Q | 52.7 | Low | 54 | Low | 185 Ų | 185 | 156.6 Ų | 156.6 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | | | trans | -96.6 | 127.8 | 169.7 | -78 | -158.8 | -0.7 | 0 | 0 | 107.3 | | |
| 334 | G | 54.3 | Low | 54.6 | Low | 70 Ų | 70 | 154.5 Ų | 154.5 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | | | trans | -177.1 | 95.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 335 | K | 61.7 | Low | 55.1 | Low | 198 Ų | 198 | 158.7 Ų | 158.7 | 86% | 0.861 | 85% | 0.85 | S | S | * | * | | | trans | 53.4 | 112.1 | 141.8 | -69.6 | 180 | 173.7 | 179 | 0 | 118.9 | | |
| 336 | H | 61.4 | Low | 55.3 | Low | 205 Ų | 205 | 156.8 Ų | 156.8 | 95% | 0.949 | 84% | 0.843 | S | S | * | * | | | trans | -163.6 | 129.5 | 130.8 | -101.6 | -67.2 | 0 | 0 | 0 | 110.2 | | |
| 337 | G | 66.2 | Low | 55.5 | Low | 71 Ų | 71 | 158 Ų | 158 | 73% | 0.732 | 85% | 0.851 | S | S | * | * | | | trans | 124.2 | 93.4 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 338 | K | 54.6 | Low | 56.6 | Low | 293 Ų | 293 | 161.8 Ų | 161.8 | 100% | 1.274 | 86% | 0.855 | S | S | * | * | | | trans | 64.4 | 0 | 157.4 | -68 | -175.1 | 177.7 | -177.3 | 0 | 118.6 | | |