| 1 | E | 37.9 | Very low | 55.3 | Low | 179 Ų | 179 | 117.7 Ų | 117.7 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | | 0 | 133.9 | 0 | -143.9 | -161.2 | 129.6 | 0 | 0 | 110.6 | R27 | E1-R27 PolarHBondContact O-NH1 3.08Å; E1-R27 PolarHBondContact O-NH2 3.23Å |
| 2 | P | 49.3 | Very low | 57.8 | Low | 90 Ų | 90 | 111.8 Ų | 111.8 | 58% | 0.584 | 74% | 0.742 | S | S | * | * | | | trans | -71.2 | 153.2 | 150.1 | 34.1 | -32.8 | 0 | 0 | 0 | 109.1 | Q4 | P2-Q4 PolarHBondContact O-N 2.83Å; P2-Q4 VanDerWaalsContact O-N 3.14Å |
| 3 | P | 56.6 | Low | 60.5 | Low | 97 Ų | 97 | 118.1 Ų | 118.1 | 63% | 0.63 | 74% | 0.741 | S | S | * | * | | | trans | -64.1 | 118.2 | 173.1 | 28 | -32.6 | 0 | 0 | 0 | 109.2 | L5 | P3-L5 PolarHBondContact O-N 2.97Š|
| 4 | Q | 52.2 | Low | 62.7 | Low | 160 Ų | 160 | 118.6 Ų | 118.6 | 75% | 0.748 | 74% | 0.736 | S | S | * | * | | | trans | -64.5 | 110 | 168.3 | -72.1 | -165.8 | -1.3 | 0 | 0 | 109.2 | P2 Q6 | P2-Q4 PolarHBondContact O-N 2.83Å; P2-Q4 VanDerWaalsContact O-N 3.14Å; Q4-Q6 PolarHBondContact O-N 3.11Å |
| 5 | L | 60.8 | Low | 64.7 | Low | 164 Ų | 164 | 113.5 Ų | 113.5 | 86% | 0.859 | 71% | 0.71 | S | S | * | * | | | trans | -65.6 | 111.4 | 157 | -64.4 | 177.6 | 0 | 0 | 0 | 106.3 | P3 S7 | P3-L5 PolarHBondContact O-N 2.97Å; L5-S7 PolarHBondContact O-N 3.13Å |
| 6 | Q | 56.8 | Low | 66.5 | Low | 183 Ų | 183 | 113.2 Ų | 113.2 | 86% | 0.855 | 70% | 0.701 | S | S | * | * | | | trans | -63.4 | 107.5 | 174.5 | -76.7 | -176 | -27.5 | 0 | 0 | 108.5 | Q4 G8 | Q4-Q6 PolarHBondContact O-N 3.11Å; Q6-G8 PolarHBondContact O-N 3.32Å |
| 7 | S | 58.6 | Low | 68.1 | Low | 132 Ų | 132 | 110.4 Ų | 110.4 | 92% | 0.923 | 68% | 0.68 | S | S | * | * | | | trans | -75.7 | 58.1 | 171.4 | -159.5 | 0 | 0 | 0 | 0 | 110.2 | L5 | L5-S7 PolarHBondContact O-N 3.13Š|
| 8 | G | 50.8 | Low | 69.5 | Low | 60 Ų | 60 | 107.2 Ų | 107.2 | 62% | 0.619 | 67% | 0.666 | S | S | * | * | | | trans | -80.8 | 124.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q6 | Q6-G8 PolarHBondContact O-N 3.32Š|
| 9 | G | 59.4 | Low | 70.8 | Confident | 85 Ų | 85 | 106.2 Ų | 106.2 | 88% | 0.876 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 151 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 10 | G | 63 | Low | 71.9 | Confident | 85 Ų | 85 | 106.6 Ų | 106.6 | 88% | 0.876 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.1 | -2.5 | 174 | 0 | 0 | 0 | 0 | 0 | 116.3 | G12 | G10-G12 PolarHBondContact O-N 3.47Š|
| 11 | G | 63.3 | Low | 73 | Confident | 60 Ų | 60 | 109.6 Ų | 109.6 | 62% | 0.619 | 66% | 0.659 | S | S | * | * | | | trans | -74.3 | 76.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 12 | G | 85.4 | Confident | 75.7 | Confident | 46 Ų | 46 | 108.5 Ų | 108.5 | 47% | 0.474 | 65% | 0.652 | S | S | . | * | | | trans | -66.6 | 176.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G10 N14 A15 L16 | G10-G12 PolarHBondContact O-N 3.47Å; G12-N14 PolarHBondContact O-N 3.36Å; G12-A15 WeakPolarHBondContact O-CB 3.5Å; G12-A15 PolarHBondContact O-N 2.94Å; G12-L16 PolarHBondContact O-N 3.43Å |
| 13 | R | 92.6 | Very high | 77.8 | Confident | 194 Ų | 194 | 106.2 Ų | 106.2 | 73% | 0.732 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -45.2 | -36.9 | -177.7 | 179.4 | 177.3 | 177.5 | -116 | 4.4 | 114.3 | L16 L17 | R13-L16 PolarHBondContact O-N 3Å; R13-L17 HydrophobicContact CG-CD1 4.09Å; R13-L17 HydrophobicContact CG-CG 4.42Å; R13-L17 WeakPolarHBondContact O-CG 3.47Å; R13-L17 PolarHBondContact O-N 3.07Å |
| 14 | N | 91.6 | Very high | 79.5 | Confident | 126 Ų | 126 | 105.9 Ų | 105.9 | 67% | 0.674 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.2 | -32.6 | -179.1 | -61.9 | -15.8 | 0 | 0 | 0 | 113 | G12 A18 | G12-N14 PolarHBondContact O-N 3.36Å; N14-A18 PolarHBondContact O-N 3.3Å |
| 15 | A | 92.5 | Very high | 81.3 | Confident | 41 Ų | 41 | 108.4 Ų | 108.4 | 34% | 0.339 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69 | -45.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | G12 L17 A18 D19 | G12-A15 WeakPolarHBondContact O-CB 3.5Å; G12-A15 PolarHBondContact O-N 2.94Å; A15-L17 VanDerWaalsContact C-N 3.31Å; A15-L17 PolarHBondContact O-N 3.06Å; A15-A18 WeakPolarHBondContact O-CB 3.27Å; A15-A18 PolarHBondContact O-N 3.13Å; A15-A18 VanDerWaalsContact O-N 3.09Å; A15-D19 PolarHBondContact O-N 3.12Å |
| 16 | L | 92.7 | Very high | 82.7 | Confident | 109 Ų | 109 | 108.3 Ų | 108.3 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -58.3 | -41.9 | 174 | 177 | 61.3 | 0 | 0 | 0 | 112 | G12 R13 D19 I20 | G12-L16 PolarHBondContact O-N 3.43Å; R13-L16 PolarHBondContact O-N 3Å; L16-D19 PolarHBondContact O-N 2.98Å; L16-I20 HydrophobicContact CD1-CD1 4.06Å; L16-I20 HydrophobicContact CD1-CG1 4.36Å; L16-I20 HydrophobicContact CG-CD1 3.98Å; L16-I20 WeakPolarHBondContact O-CD1 3.27Å; L16-I20 VanDerWaalsContact O-CG1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 3.35Å |
| 17 | L | 94.9 | Very high | 84.4 | Confident | 65 Ų | 65 | 107.7 Ų | 107.7 | 34% | 0.34 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -63.4 | -39.3 | 174.7 | -71.9 | 171.4 | 0 | 0 | 0 | 112.3 | R13 A15 I20 Q21 | R13-L17 HydrophobicContact CG-CD1 4.09Å; R13-L17 HydrophobicContact CG-CG 4.42Å; R13-L17 WeakPolarHBondContact O-CG 3.47Å; R13-L17 PolarHBondContact O-N 3.07Å; A15-L17 VanDerWaalsContact C-N 3.31Å; A15-L17 PolarHBondContact O-N 3.06Å; L17-I20 PolarHBondContact O-N 3.16Å; L17-Q21 VanDerWaalsContact O-CG 3.29Å; L17-Q21 WeakPolarHBondContact O-CG 3.1Å; L17-Q21 PolarHBondContact O-N 3.28Å |
| 18 | A | 92.5 | Very high | 85.9 | Confident | 53 Ų | 53 | 110.3 Ų | 110.3 | 44% | 0.438 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -66 | -41.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | N14 A15 Q21 K22 | N14-A18 PolarHBondContact O-N 3.3Å; A15-A18 WeakPolarHBondContact O-CB 3.27Å; A15-A18 PolarHBondContact O-N 3.13Å; A15-A18 VanDerWaalsContact O-N 3.09Å; A18-Q21 PolarHBondContact O-N 2.88Å; A18-K22 VanDerWaalsContact O-CB 3.23Å; A18-K22 WeakPolarHBondContact O-CB 3.46Å; A18-K22 PolarHBondContact O-N 3.46Å |
| 19 | D | 93.6 | Very high | 87.6 | Confident | 89 Ų | 89 | 112.2 Ų | 112.2 | 48% | 0.476 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -68 | -35.1 | 176.1 | -89.6 | -41.4 | 0 | 0 | 0 | 113 | A15 L16 K22 G23 | A15-D19 PolarHBondContact O-N 3.12Å; L16-D19 PolarHBondContact O-N 2.98Å; D19-K22 PolarHBondContact O-N 2.92Å; D19-K22 IonicContact OD1-NZ 2.92Å; D19-K22 PolarHBondContact OD1-NZ 3.38Å; D19-G23 PolarHBondContact O-N 3.02Å |
| 20 | I | 93.1 | Very high | 88.7 | Confident | 114 Ų | 114 | 114.6 Ų | 114.6 | 59% | 0.585 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.9 | -43.1 | 171.8 | -70 | 165 | 0 | 0 | 0 | 110.8 | L16 L17 G23 | L16-I20 HydrophobicContact CD1-CD1 4.06Å; L16-I20 HydrophobicContact CD1-CG1 4.36Å; L16-I20 HydrophobicContact CG-CD1 3.98Å; L16-I20 WeakPolarHBondContact O-CD1 3.27Å; L16-I20 VanDerWaalsContact O-CG1 3.25Å; L16-I20 WeakPolarHBondContact O-CG1 3.47Å; L16-I20 PolarHBondContact O-N 3.35Å; L17-I20 PolarHBondContact O-N 3.16Å; I20-G23 PolarHBondContact O-N 3.15Å |
| 21 | Q | 94.7 | Very high | 89.4 | Confident | 169 Ų | 169 | 118.2 Ų | 118.2 | 79% | 0.79 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.1 | -36.4 | 177.1 | -72.2 | 173.7 | 15.9 | 0 | 0 | 112.9 | L17 A18 | L17-Q21 VanDerWaalsContact O-CG 3.29Å; L17-Q21 WeakPolarHBondContact O-CG 3.1Å; L17-Q21 PolarHBondContact O-N 3.28Å; A18-Q21 PolarHBondContact O-N 2.88Å |
| 22 | K | 95.2 | Very high | 90.1 | Very high | 157 Ų | 157 | 120.7 Ų | 120.7 | 68% | 0.683 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.3 | -32.8 | 175.2 | 171.6 | 169.9 | 138.2 | -74 | 0 | 112.4 | A18 D19 | A18-K22 VanDerWaalsContact O-CB 3.23Å; A18-K22 WeakPolarHBondContact O-CB 3.46Å; A18-K22 PolarHBondContact O-N 3.46Å; D19-K22 PolarHBondContact O-N 2.92Å; D19-K22 IonicContact OD1-NZ 2.92Å; D19-K22 PolarHBondContact OD1-NZ 3.38Å |
| 23 | G | 92.6 | Very high | 89.4 | Confident | 41 Ų | 41 | 124.2 Ų | 124.2 | 42% | 0.423 | 65% | 0.645 | S | S | . | * | | | trans | 73 | 169 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D19 I20 | D19-G23 PolarHBondContact O-N 3.02Å; I20-G23 PolarHBondContact O-N 3.15Å |
| 24 | A | 92.6 | Very high | 88.6 | Confident | 91 Ų | 91 | 119.2 Ų | 119.2 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | | | trans | -137.2 | 138.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L26 | A24-L26 PolarHBondContact O-N 2.92Š|
| 25 | K | 91.5 | Very high | 87.7 | Confident | 213 Ų | 213 | 123.9 Ų | 123.9 | 93% | 0.926 | 64% | 0.641 | S | S | * | * | | | trans | -81 | 111.2 | 174.2 | -76.2 | -176.4 | 175.6 | 177.1 | 0 | 110.2 | | |
| 26 | L | 90 | Very high | 86.9 | Confident | 161 Ų | 161 | 126.9 Ų | 126.9 | 84% | 0.843 | 66% | 0.659 | S | S | * | * | | | trans | -71.7 | 149.2 | 169.6 | -56.5 | -178.2 | 0 | 0 | 0 | 110.4 | A24 | A24-L26 PolarHBondContact O-N 2.92Š|
| 27 | R | 90.9 | Very high | 85.8 | Confident | 170 Ų | 170 | 124.5 Ų | 124.5 | 64% | 0.642 | 66% | 0.655 | S | S | * | * | | | trans | -72 | 133.7 | 174.3 | 51.5 | -91 | -146.3 | 116.7 | 4.8 | 110.7 | E1 V29 | E1-R27 PolarHBondContact O-NH1 3.08Å; E1-R27 PolarHBondContact O-NH2 3.23Å; R27-V29 PolarHBondContact O-N 3.41Å; R27-V29 VanDerWaalsContact O-N 3.13Å |
| 28 | K | 91.1 | Very high | 84.2 | Confident | 188 Ų | 188 | 126.7 Ų | 126.7 | 82% | 0.817 | 67% | 0.673 | S | S | * | * | | | trans | -68.4 | 107.6 | 179 | -177.1 | 176.8 | -179.3 | 178.7 | 0 | 110 | T30 | K28-T30 PolarHBondContact O-N 3.09Š|
| 29 | V | 86.6 | Confident | 82.7 | Confident | 100 Ų | 100 | 128.4 Ų | 128.4 | 61% | 0.606 | 69% | 0.687 | S | S | * | * | | | trans | -69.1 | 114.5 | 168.1 | 177.9 | 0 | 0 | 0 | 0 | 107.9 | R27 Q31 V32 | R27-V29 PolarHBondContact O-N 3.41Å; R27-V29 VanDerWaalsContact O-N 3.13Å; V29-Q31 VanDerWaalsContact CG1-O 3.27Å; V29-Q31 WeakPolarHBondContact CG1-O 3.48Å; V29-V32 HydrophobicContact CG1-CG2 4.23Å |
| 30 | T | 82.1 | Confident | 81.2 | Confident | 134 Ų | 134 | 129.5 Ų | 129.5 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -84.8 | -26 | 178.1 | 46 | 0 | 0 | 0 | 0 | 112.7 | K28 | K28-T30 PolarHBondContact O-N 3.09Š|
| 31 | Q | 77.9 | Confident | 79.5 | Confident | 161 Ų | 161 | 131 Ų | 131 | 75% | 0.752 | 71% | 0.706 | S | S | * | * | | | trans | -116.7 | 93 | 177.4 | -174.9 | 179.8 | 8.9 | 0 | 0 | 109.4 | V29 | V29-Q31 VanDerWaalsContact CG1-O 3.27Å; V29-Q31 WeakPolarHBondContact CG1-O 3.48Å |
| 32 | V | 77.3 | Confident | 77.7 | Confident | 113 Ų | 113 | 132 Ų | 132 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | | | trans | -80.6 | 120 | 163.2 | -174.2 | 0 | 0 | 0 | 0 | 106.6 | V29 D34 | V29-V32 HydrophobicContact CG1-CG2 4.23Å; V32-D34 HydrophobicContact CG1-CB 4.09Å; V32-D34 PolarHBondContact O-N 3.32Å |
| 33 | N | 70.3 | Confident | 75.3 | Confident | 120 Ų | 120 | 129.9 Ų | 129.9 | 64% | 0.642 | 71% | 0.713 | S | S | * | * | | | trans | -78.5 | 54 | 176.6 | -174.1 | 27.3 | 0 | 0 | 0 | 110.7 | R35 | N33-R35 PolarHBondContact O-N 3.41Å; N33-R35 VanDerWaalsContact O-N 3.16Å |
| 34 | D | 76.3 | Confident | 73.1 | Confident | 89 Ų | 89 | 136.4 Ų | 136.4 | 48% | 0.476 | 73% | 0.73 | S | S | . | * | | | trans | -78.3 | 95.5 | 176.4 | -175.6 | -3.7 | 0 | 0 | 0 | 109.4 | V32 S36 A37 | V32-D34 HydrophobicContact CG1-CB 4.09Å; V32-D34 PolarHBondContact O-N 3.32Å; D34-S36 PolarHBondContact O-N 3.13Å; D34-S36 WeakPolarHBondContact OD1-CA 3.41Å; D34-S36 WeakPolarHBondContact OD1-CB 3.23Å; D34-S36 PolarHBondContact OD1-N 2.91Å; D34-S36 PolarHBondContact OD1-OG 3.09Å; D34-A37 PolarHBondContact OD1-N 3.15Å |
| 35 | R | 73.3 | Confident | 70.6 | Confident | 224 Ų | 224 | 137.8 Ų | 137.8 | 85% | 0.845 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 4 | 176.6 | -68.1 | -176.7 | 165.7 | -157.9 | -8.2 | 113.7 | N33 | N33-R35 PolarHBondContact O-N 3.41Å; N33-R35 VanDerWaalsContact O-N 3.16Å |
| 36 | S | 76.1 | Confident | 68 | Low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -22.1 | 175.5 | 77.1 | 0 | 0 | 0 | 0 | 113 | D34 | D34-S36 PolarHBondContact O-N 3.13Å; D34-S36 WeakPolarHBondContact OD1-CA 3.41Å; D34-S36 WeakPolarHBondContact OD1-CB 3.23Å; D34-S36 PolarHBondContact OD1-N 2.91Å; D34-S36 PolarHBondContact OD1-OG 3.09Å |
| 37 | A | 68.3 | Low | 65.6 | Low | 60 Ų | 60 | 132.9 Ų | 132.9 | 50% | 0.496 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -69.7 | 128.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | D34 A39 | D34-A37 PolarHBondContact OD1-N 3.15Å; A37-A39 PolarHBondContact O-N 3.02Å |
| 38 | P | 63.1 | Low | 63 | Low | 111 Ų | 111 | 128 Ų | 128 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | | | trans | -66.4 | 135.3 | 175.4 | 27.4 | -33.8 | 0 | 0 | 0 | 110.6 | V40 | P38-V40 PolarHBondContact O-N 3.1Š|
| 39 | A | 60.8 | Low | 60.4 | Low | 88 Ų | 88 | 126.5 Ų | 126.5 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | | | trans | -68.1 | 92.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | A37 D41 | A37-A39 PolarHBondContact O-N 3.02Å; A39-D41 VanDerWaalsContact C-N 3.28Å; A39-D41 PolarHBondContact O-N 3.48Å; A39-D41 VanDerWaalsContact O-N 3.08Å |
| 40 | V | 60.5 | Low | 58.3 | Low | 112 Ų | 112 | 128.2 Ų | 128.2 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | | | trans | -80.8 | 82 | 169.5 | -177.4 | 0 | 0 | 0 | 0 | 108.2 | P38 K42 | P38-V40 PolarHBondContact O-N 3.1Å; V40-K42 PolarHBondContact O-N 3.08Å; V40-K42 VanDerWaalsContact O-N 3.13Å |
| 41 | D | 58.6 | Low | 56 | Low | 146 Ų | 146 | 125.3 Ų | 125.3 | 78% | 0.781 | 73% | 0.73 | S | S | * | * | | | trans | -62.2 | 111.6 | 172 | -77.2 | -43.4 | 0 | 0 | 0 | 109.9 | A39 S43 | A39-D41 VanDerWaalsContact C-N 3.28Å; A39-D41 PolarHBondContact O-N 3.48Å; A39-D41 VanDerWaalsContact O-N 3.08Å; D41-S43 PolarHBondContact O-N 2.73Å; D41-S43 VanDerWaalsContact O-N 3.15Å |
| 42 | K | 55.9 | Low | 54 | Low | 190 Ų | 190 | 123 Ų | 123 | 83% | 0.826 | 73% | 0.732 | S | S | * | * | | | trans | -81.7 | 95.3 | -179.8 | -62.3 | 176.9 | -173 | 175.3 | 0 | 108.3 | V40 K44 | V40-K42 PolarHBondContact O-N 3.08Å; V40-K42 VanDerWaalsContact O-N 3.13Å; K42-K44 PolarHBondContact O-N 2.81Å |
| 43 | S | 45.7 | Very low | 52.4 | Low | 113 Ų | 113 | 122.5 Ų | 122.5 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | | | trans | -56.6 | 103.2 | 171.8 | 43.2 | 0 | 0 | 0 | 0 | 110.2 | D41 T45 | D41-S43 PolarHBondContact O-N 2.73Å; D41-S43 VanDerWaalsContact O-N 3.15Å; S43-T45 PolarHBondContact O-N 3.35Å; S43-T45 VanDerWaalsContact O-N 3.09Å |
| 44 | K | 45.9 | Very low | 50.8 | Low | 178 Ų | 178 | 126 Ų | 126 | 77% | 0.774 | 75% | 0.745 | S | S | * | * | | | trans | -75.3 | 98.6 | 174.8 | -178.6 | -179.6 | 173.9 | -178.4 | 0 | 108.4 | K42 N46 | K42-K44 PolarHBondContact O-N 2.81Å; K44-N46 PolarHBondContact O-N 3.4Å; K44-N46 VanDerWaalsContact O-N 3.09Å |
| 45 | T | 41.4 | Very low | 49.1 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | | | trans | -54.5 | 114 | 169.7 | -55.1 | 0 | 0 | 0 | 0 | 110.2 | S43 | S43-T45 PolarHBondContact O-N 3.35Å; S43-T45 VanDerWaalsContact O-N 3.09Å |
| 46 | N | 36.4 | Very low | 47.6 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | | | trans | -111 | 140.4 | 156.5 | -83.2 | -3 | 0 | 0 | 0 | 106.9 | K44 | K44-N46 PolarHBondContact O-N 3.4Å; K44-N46 VanDerWaalsContact O-N 3.09Å |
| 47 | T | 39.5 | Very low | 46.1 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | | | trans | -102.1 | 142.8 | -178.8 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 48 | G | 37 | Very low | 45 | Very low | 69 Ų | 69 | 128.1 Ų | 128.1 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | | | trans | 104 | 137.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 49 | D | 34.7 | Very low | 43.9 | Very low | 155 Ų | 155 | 126.7 Ų | 126.7 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | | | cis | -151.1 | -179.7 | -1.6 | -166.8 | 17 | 0 | 0 | 0 | 110.7 | | |
| 50 | V | 42.9 | Very low | 43.4 | Very low | 136 Ų | 136 | 131.1 Ų | 131.1 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | | | trans | -48.5 | 139 | 177.4 | 171.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 51 | G | 34 | Very low | 42.6 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | trans | -175.1 | 104.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 52 | S | 35.3 | Very low | 42 | Very low | 114 Ų | 114 | 128.3 Ų | 128.3 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -31.1 | 157 | 174.4 | -168.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 53 | S | 44.4 | Very low | 42.1 | Very low | 101 Ų | 101 | 126.2 Ų | 126.2 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | trans | -58.9 | 146.4 | 156 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 54 | Q | 36 | Very low | 42.3 | Very low | 193 Ų | 193 | 123.6 Ų | 123.6 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | | -163.5 | 176 | 125 | -161.2 | 138.5 | -71.6 | 0 | 0 | 111.1 | | |
| 55 | N | 41.7 | Very low | 42.5 | Very low | 140 Ų | 140 | 121.6 Ų | 121.6 | 75% | 0.749 | 79% | 0.792 | S | S | * | * | | | trans | -108.7 | 167 | -174.7 | -170.4 | 15.9 | 0 | 0 | 0 | 111.6 | | |
| 56 | Q | 42.3 | Very low | 43.2 | Very low | 170 Ų | 170 | 121 Ų | 121 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | 94 | 127.2 | 164.3 | -53.2 | -172.7 | 94.3 | 0 | 0 | 121.3 | | |
| 57 | S | 44.5 | Very low | 44.3 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | 57 | 127.2 | 133.5 | -144.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 58 | A | 43.7 | Very low | 45.2 | Very low | 100 Ų | 100 | 118.8 Ų | 118.8 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | 40 | 114.2 | 144.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 59 | G | 40 | Very low | 46.4 | Very low | 81 Ų | 81 | 118.6 Ų | 118.6 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | trans | -171.8 | 126.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 60 | I | 50.7 | Low | 47.7 | Very low | 181 Ų | 181 | 119 Ų | 119 | 93% | 0.928 | 78% | 0.782 | S | S | * | * | | | trans | -66.5 | 132.7 | -170.6 | -61.9 | 160.4 | 0 | 0 | 0 | 115 | | |
| 61 | G | 44.2 | Very low | 48.5 | Very low | 64 Ų | 64 | 119.6 Ų | 119.6 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | | | trans | 87.4 | 173 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 62 | P | 45.8 | Very low | 49.8 | Very low | 134 Ų | 134 | 120.3 Ų | 120.3 | 87% | 0.87 | 77% | 0.773 | S | S | * | * | | | cis | -109.1 | -167.1 | -3.3 | 41.4 | -31.7 | 0 | 0 | 0 | 113.5 | | |
| 63 | T | 57.4 | Low | 51 | Low | 147 Ų | 147 | 119.8 Ų | 119.8 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | | | trans | -76.8 | 130.8 | -168.8 | 51.4 | 0 | 0 | 0 | 0 | 116 | | |
| 64 | G | 49.5 | Very low | 52.4 | Low | 58 Ų | 58 | 117.2 Ų | 117.2 | 60% | 0.598 | 77% | 0.765 | S | S | * | * | | | trans | -134.4 | 159.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | S66 | G64-S66 VanDerWaalsContact C-N 3.28Å; G64-S66 PolarHBondContact O-N 3.16Å |
| 65 | P | 51.8 | Low | 54 | Low | 135 Ų | 135 | 116 Ų | 116 | 88% | 0.877 | 76% | 0.757 | S | S | * | * | | | trans | -75.4 | 75.7 | -175.2 | 31.6 | -35.9 | 0 | 0 | 0 | 112.1 | L67 | P65-L67 PolarHBondContact O-N 3.28Š|
| 66 | S | 55 | Low | 55.1 | Low | 106 Ų | 106 | 114.4 Ų | 114.4 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | -69.8 | 113.9 | 176.1 | -175.9 | 0 | 0 | 0 | 0 | 111 | G64 G68 | G64-S66 VanDerWaalsContact C-N 3.28Å; G64-S66 PolarHBondContact O-N 3.16Å; S66-G68 PolarHBondContact O-N 2.56Å |
| 67 | L | 59.8 | Low | 56.7 | Low | 189 Ų | 189 | 112.7 Ų | 112.7 | 99% | 0.99 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -74.9 | 44.6 | 171.5 | -72.4 | 166.4 | 0 | 0 | 0 | 111.8 | P65 | P65-L67 PolarHBondContact O-N 3.28Š|
| 68 | G | 59.1 | Low | 57.7 | Low | 37 Ų | 37 | 114.8 Ų | 114.8 | 38% | 0.381 | 76% | 0.758 | S | S | . | * | | | trans | -116.3 | 4.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116 | S66 L70 | S66-G68 PolarHBondContact O-N 2.56Å; G68-L70 VanDerWaalsContact C-N 3.25Å; G68-L70 PolarHBondContact O-N 3.43Å; G68-L70 VanDerWaalsContact O-N 3.13Å |
| 69 | G | 60.6 | Low | 59.2 | Low | 64 Ų | 64 | 120.5 Ų | 120.5 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -21.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | F71 | G69-F71 PolarHBondContact O-N 2.89Š|
| 70 | L | 62.6 | Low | 60.4 | Low | 163 Ų | 163 | 122.3 Ų | 122.3 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -17.8 | -173.6 | -68.7 | 172.2 | 0 | 0 | 0 | 114.9 | G68 | G68-L70 VanDerWaalsContact C-N 3.25Å; G68-L70 PolarHBondContact O-N 3.43Å; G68-L70 VanDerWaalsContact O-N 3.13Å |
| 71 | F | 60.4 | Low | 60.5 | Low | 149 Ų | 149 | 121.9 Ų | 121.9 | 65% | 0.654 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.9 | 0.2 | 178.3 | -60.9 | -69.9 | 0 | 0 | 0 | 113.3 | G69 A73 G74 F75 | G69-F71 PolarHBondContact O-N 2.89Å; F71-A73 PolarHBondContact O-N 2.88Å; F71-G74 PolarHBondContact O-N 3.48Å; F71-F75 HydrophobicContact CD1-CD2 4.2Å; F71-F75 HydrophobicContact CD1-CE2 4.19Å; F71-F75 HydrophobicContact CE1-CD2 4.28Å; F71-F75 AromaticContact CE1-CE2 3.81Å; F71-F75 HydrophobicContact CE1-CE2 3.81Å |
| 72 | A | 61.6 | Low | 60.7 | Low | 89 Ų | 89 | 121.9 Ų | 121.9 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.5 | -20.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G74 | A72-G74 VanDerWaalsContact C-N 3.31Š|
| 73 | A | 58.8 | Low | 60.8 | Low | 103 Ų | 103 | 122.7 Ų | 122.7 | 85% | 0.851 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.8 | 0.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F71 | F71-A73 PolarHBondContact O-N 2.88Š|
| 74 | G | 74.7 | Confident | 60.5 | Low | 47 Ų | 47 | 127.3 Ų | 127.3 | 49% | 0.485 | 75% | 0.745 | S | S | . | * | | | trans | 79.8 | 167.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F71 A72 | F71-G74 PolarHBondContact O-N 3.48Å; A72-G74 VanDerWaalsContact C-N 3.31Å |
| 75 | F | 70.1 | Confident | 60.4 | Low | 166 Ų | 166 | 130.5 Ų | 130.5 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | trans | -80.3 | 137.9 | 171.1 | -129.3 | -92.1 | 0 | 0 | 0 | 109 | F71 T77 | F71-F75 HydrophobicContact CD1-CD2 4.2Å; F71-F75 HydrophobicContact CD1-CE2 4.19Å; F71-F75 HydrophobicContact CE1-CD2 4.28Å; F71-F75 AromaticContact CE1-CE2 3.81Å; F71-F75 HydrophobicContact CE1-CE2 3.81Å; F75-T77 PolarHBondContact O-N 2.87Å |
| 76 | P | 65.6 | Low | 60.4 | Low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | | | trans | -69.2 | 98.7 | 178.4 | 27.2 | -34.1 | 0 | 0 | 0 | 110.8 | L78 | P76-L78 PolarHBondContact O-N 3.04Š|
| 77 | T | 73.9 | Confident | 60.1 | Low | 134 Ų | 134 | 133 Ų | 133 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | | | trans | -64.7 | 106.3 | 177.3 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | F75 R79 | F75-T77 PolarHBondContact O-N 2.87Å; T77-R79 PolarHBondContact O-N 2.84Å |
| 78 | L | 66.4 | Low | 59.3 | Low | 157 Ų | 157 | 133.1 Ų | 133.1 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 125.8 | 170.2 | -62.9 | 179.6 | 0 | 0 | 0 | 109.4 | P76 | P76-L78 PolarHBondContact O-N 3.04Š|
| 79 | R | 74.9 | Confident | 58.2 | Low | 220 Ų | 220 | 136.5 Ų | 136.5 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58 | 136.4 | 174 | 59.9 | -174.6 | -70.2 | 177.4 | -0.6 | 110.3 | T77 I81 | T77-R79 PolarHBondContact O-N 2.84Å; R79-I81 PolarHBondContact O-N 2.9Å |
| 80 | P | 66.4 | Low | 57.4 | Low | 118 Ų | 118 | 144.5 Ų | 144.5 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -55 | 130.2 | 171 | -26.3 | 35.1 | 0 | 0 | 0 | 110.9 | G82 | P80-G82 PolarHBondContact O-N 3.13Å; P80-G82 VanDerWaalsContact O-N 3.07Å |
| 81 | I | 51.6 | Low | 56.2 | Low | 172 Ų | 172 | 142.2 Ų | 142.2 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | trans | -80.5 | 91.5 | 176.1 | -56.9 | 177.1 | 0 | 0 | 0 | 107.3 | R79 H83 | R79-I81 PolarHBondContact O-N 2.9Å; I81-H83 PolarHBondContact O-N 3.08Å |
| 82 | G | 48 | Very low | 55.2 | Low | 64 Ų | 64 | 141.2 Ų | 141.2 | 66% | 0.66 | 79% | 0.787 | S | S | * | * | | | trans | -65.4 | 101.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P80 R84 | P80-G82 PolarHBondContact O-N 3.13Å; P80-G82 VanDerWaalsContact O-N 3.07Å; G82-R84 PolarHBondContact O-N 3.4Å |
| 83 | H | 49.2 | Very low | 54 | Low | 152 Ų | 152 | 142.3 Ų | 142.3 | 70% | 0.704 | 79% | 0.79 | S | S | * | * | | | | 28.7 | 96.7 | 129.7 | -179 | 46.5 | 0 | 0 | 0 | 114.9 | I81 D85 | I81-H83 PolarHBondContact O-N 3.08Å; H83-D85 VanDerWaalsContact CE1-CG 3.4Å; H83-D85 IonicContact CE1-OD1 2.56Å; H83-D85 PolarHBondContact CE1-OD1 3.08Å; H83-D85 IonicContact CE1-OD2 3.15Å; H83-D85 PolarHBondContact CE1-OD2 2.95Å; H83-D85 IonicContact ND1-OD1 2.69Å; H83-D85 PolarHBondContact ND1-OD1 3.13Å; H83-D85 IonicContact ND1-OD2 2.92Å; H83-D85 PolarHBondContact ND1-OD2 3.39Å; H83-D85 IonicContact NE2-OD2 3.38Å |
| 84 | R | 51 | Low | 53.1 | Low | 244 Ų | 244 | 143.5 Ų | 143.5 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | | | trans | -128.5 | 113.7 | 152.6 | -90.5 | -165.5 | 169.3 | -164.5 | -3 | 108 | G82 L86 | G82-R84 PolarHBondContact O-N 3.4Å; R84-L86 PolarHBondContact O-N 2.92Å |
| 85 | D | 46.3 | Very low | 51.5 | Low | 125 Ų | 125 | 145.2 Ų | 145.2 | 67% | 0.668 | 80% | 0.802 | S | S | * | * | | | trans | -82 | 115.2 | 177 | -41.5 | -57.3 | 0 | 0 | 0 | 109.5 | H83 | H83-D85 VanDerWaalsContact CE1-CG 3.4Å; H83-D85 IonicContact CE1-OD1 2.56Å; H83-D85 PolarHBondContact CE1-OD1 3.08Å; H83-D85 IonicContact CE1-OD2 3.15Å; H83-D85 PolarHBondContact CE1-OD2 2.95Å; H83-D85 IonicContact ND1-OD1 2.69Å; H83-D85 PolarHBondContact ND1-OD1 3.13Å; H83-D85 IonicContact ND1-OD2 2.92Å; H83-D85 PolarHBondContact ND1-OD2 3.39Å; H83-D85 IonicContact NE2-OD2 3.38Å |
| 86 | L | 52.8 | Low | 50.1 | Low | 165 Ų | 165 | 142.8 Ų | 142.8 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | | | trans | -152.1 | 141.2 | 146.3 | -79.4 | -169.3 | 0 | 0 | 0 | 107.9 | R84 | R84-L86 PolarHBondContact O-N 2.92Š|
| 87 | P | 47.8 | Very low | 49 | Very low | 127 Ų | 127 | 145.8 Ų | 145.8 | 83% | 0.825 | 82% | 0.815 | S | S | * | * | | | trans | -81.4 | 123 | -175.3 | 31.1 | -33.5 | 0 | 0 | 0 | 111.8 | | |
| 88 | M | 43.2 | Very low | 47.5 | Very low | 193 Ų | 193 | 149.5 Ų | 149.5 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | | | trans | -138.1 | 146.3 | 162.2 | -103.2 | -173.8 | 176 | 0 | 0 | 112.2 | | |
| 89 | S | 36.9 | Very low | 46.2 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | | | trans | -90.2 | 145.3 | -160.2 | -60.5 | 0 | 0 | 0 | 0 | 114.4 | | |
| 90 | R | 43.4 | Very low | 44.5 | Very low | 231 Ų | 231 | 144.5 Ų | 144.5 | 87% | 0.872 | 81% | 0.806 | S | S | * | * | | | trans | 38.8 | 101.7 | 141.4 | -62.3 | 171.6 | 62.6 | -171.6 | 0.4 | 117.3 | | |
| 91 | S | 37.9 | Very low | 43 | Very low | 115 Ų | 115 | 150.1 Ų | 150.1 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | | | | -178 | 112.7 | 114.4 | -79.7 | 0 | 0 | 0 | 0 | 112 | | |
| 92 | S | 38 | Very low | 42.5 | Very low | 128 Ų | 128 | 147.4 Ų | 147.4 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | trans | -106.4 | 97.3 | 171.5 | -62.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 93 | S | 37.7 | Very low | 42.3 | Very low | 113 Ų | 113 | 148 Ų | 148 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -124.2 | 67.3 | 179.8 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | A95 | S93-A95 PolarHBondContact O-N 2.74Š|
| 94 | S | 39.2 | Very low | 42 | Very low | 128 Ų | 128 | 146.8 Ų | 146.8 | 90% | 0.895 | 80% | 0.804 | S | S | * | * | | | trans | -84.3 | 96.4 | 167.7 | -168.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 95 | A | 40.3 | Very low | 41.4 | Very low | 83 Ų | 83 | 141.9 Ų | 141.9 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | | | trans | -73.4 | 134.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | S93 L97 | S93-A95 PolarHBondContact O-N 2.74Å; A95-L97 PolarHBondContact O-N 2.91Å |
| 96 | S | 42.2 | Very low | 40.8 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -65.6 | 119.3 | -180 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | R98 | S96-R98 VanDerWaalsContact C-N 3.32Å; S96-R98 PolarHBondContact O-N 2.86Å |
| 97 | L | 41.8 | Very low | 39.9 | Very low | 171 Ų | 171 | 137.8 Ų | 137.8 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | | | trans | -74.8 | 79.3 | 179.4 | -68.6 | 176.8 | 0 | 0 | 0 | 111.6 | A95 | A95-L97 PolarHBondContact O-N 2.91Š|
| 98 | R | 43.4 | Very low | 39 | Very low | 212 Ų | 212 | 139.9 Ų | 139.9 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | | | trans | -77.8 | 122.2 | 168.6 | 63.8 | -170.7 | -178 | -163.2 | -0.8 | 110.6 | S96 Q100 | S96-R98 VanDerWaalsContact C-N 3.32Å; S96-R98 PolarHBondContact O-N 2.86Å; R98-Q100 PolarHBondContact O-N 3.33Å; R98-Q100 VanDerWaalsContact O-N 3.14Å |
| 99 | P | 38.9 | Very low | 38.7 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -75.7 | 102.7 | 176.2 | 29.3 | -32.8 | 0 | 0 | 0 | 110.4 | W101 | P99-W101 PolarHBondContact O-N 2.92Š|
| 100 | Q | 37.8 | Very low | 38.5 | Very low | 144 Ų | 144 | 137.2 Ų | 137.2 | 67% | 0.673 | 81% | 0.806 | S | S | * | * | | | trans | -76.6 | 103 | 174.7 | -178.7 | 176.9 | -40.9 | 0 | 0 | 110.3 | R98 N102 | R98-Q100 PolarHBondContact O-N 3.33Å; R98-Q100 VanDerWaalsContact O-N 3.14Å; Q100-N102 PolarHBondContact NE2-OD1 3.14Å; Q100-N102 PolarHBondContact O-N 3.26Å; Q100-N102 VanDerWaalsContact O-N 3.16Å |
| 101 | W | 36.2 | Very low | 37.9 | Very low | 236 Ų | 236 | 131.7 Ų | 131.7 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | | | trans | -78.4 | 95.7 | 175 | -172.4 | -91.2 | 0 | 0 | 0 | 110.9 | P99 | P99-W101 PolarHBondContact O-N 2.92Š|
| 102 | N | 41.4 | Very low | 37.7 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 62% | 0.62 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 124.2 | 173 | -66.6 | -39.6 | 0 | 0 | 0 | 110.3 | Q100 | Q100-N102 PolarHBondContact NE2-OD1 3.14Å; Q100-N102 PolarHBondContact O-N 3.26Å; Q100-N102 VanDerWaalsContact O-N 3.16Å |
| 103 | A | 42.9 | Very low | 37.9 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 137.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | T105 | A103-T105 PolarHBondContact O-N 3.13Š|
| 104 | P | 42 | Very low | 37.5 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 128.9 | -178 | 28.9 | -34 | 0 | 0 | 0 | 111.7 | | |
| 105 | T | 38.5 | Very low | 37 | Very low | 141 Ų | 141 | 135 Ų | 135 | 87% | 0.865 | 79% | 0.792 | S | S | * | * | | | trans | -91.3 | 107.9 | 167.5 | 50.7 | 0 | 0 | 0 | 0 | 110 | A103 | A103-T105 PolarHBondContact O-N 3.13Š|
| 106 | S | 35.5 | Very low | 37 | Very low | 118 Ų | 118 | 136.6 Ų | 136.6 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -94.9 | 109.1 | 160.3 | -68.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 107 | A | 33.3 | Very low | 36.6 | Very low | 87 Ų | 87 | 141.3 Ų | 141.3 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | | | trans | -95.7 | 134.3 | 157 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 108 | D | 29.4 | Very low | 36.1 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | | | trans | -115.4 | 126.2 | 159.7 | -97.6 | -48.4 | 0 | 0 | 0 | 107.6 | | |
| 109 | S | 35.7 | Very low | 35.7 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | | | trans | -115.8 | 120.7 | -179.6 | -66.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 110 | S | 32.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 136.3 Ų | 136.3 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | | | trans | -118.2 | 134.6 | 168.8 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | | |
| 111 | S | 31.4 | Very low | 35.5 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -80.4 | 154.6 | -164.1 | 48.9 | 0 | 0 | 0 | 0 | 114.9 | | |
| 112 | L | 34.6 | Very low | 35.4 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 78% | 0.78 | 80% | 0.797 | S | S | * | * | | | trans | -59.5 | 159.1 | 160.6 | -145.3 | 78.4 | 0 | 0 | 0 | 110.8 | | |
| 113 | P | 41.7 | Very low | 34.9 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | | | | -144.8 | 135.9 | 87.6 | 34 | -15.7 | 0 | 0 | 0 | 117 | | |
| 114 | E | 28.1 | Very low | 34.3 | Very low | 165 Ų | 165 | 134.1 Ų | 134.1 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | | | trans | 42.7 | 116.3 | 131.8 | -161.8 | 154.5 | 108.7 | 0 | 0 | 123.5 | | |
| 115 | S | 28.7 | Very low | 34.1 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | | | | -176.4 | 154.8 | 121.2 | -88.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 116 | P | 42.3 | Very low | 33.9 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -100.8 | 168.5 | -168.7 | 39.2 | -37.2 | 0 | 0 | 0 | 115.6 | | |
| 117 | K | 32.5 | Very low | 33.8 | Very low | 214 Ų | 214 | 141.9 Ų | 141.9 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | | | trans | -156.5 | 152.2 | 156.2 | -112.6 | 153.2 | -170.5 | 168.9 | 0 | 112.9 | | |
| 118 | T | 31.4 | Very low | 33.8 | Very low | 141 Ų | 141 | 144.4 Ų | 144.4 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | | | trans | -89.2 | 152.6 | -171.4 | 35.2 | 0 | 0 | 0 | 0 | 113.9 | | |
| 119 | A | 34.9 | Very low | 34.2 | Very low | 103 Ų | 103 | 143 Ų | 143 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -151.2 | 79.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 120 | E | 30 | Very low | 34 | Very low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | trans | -80.5 | 124.2 | 172.3 | -179.4 | -174.6 | 154.8 | 0 | 0 | 109.6 | | |
| 121 | I | 42.8 | Very low | 34 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | -133.1 | 93.3 | 164.2 | -58.2 | -177.5 | 0 | 0 | 0 | 108.4 | | |
| 122 | Q | 33.7 | Very low | 33.9 | Very low | 151 Ų | 151 | 142.5 Ų | 142.5 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | | | trans | -70.8 | 139.1 | 156.5 | -63.3 | -150.9 | -4.9 | 0 | 0 | 109.3 | | |
| 123 | N | 30.9 | Very low | 33.8 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 72% | 0.717 | 78% | 0.777 | S | S | * | * | | | trans | -145.5 | 92.7 | 160.7 | -163.6 | -15.2 | 0 | 0 | 0 | 110.2 | | |
| 124 | S | 30.1 | Very low | 33.3 | Very low | 84 Ų | 84 | 140 Ų | 140 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | | | trans | -129.5 | 80.7 | -176.6 | 60 | 0 | 0 | 0 | 0 | 111.5 | | |
| 125 | F | 37.6 | Very low | 33.8 | Very low | 190 Ų | 190 | 136.2 Ų | 136.2 | 83% | 0.833 | 78% | 0.776 | S | S | * | * | | | trans | -108 | 96.5 | 160.1 | -64.4 | -85.6 | 0 | 0 | 0 | 106.7 | | |
| 126 | Q | 34.3 | Very low | 34.6 | Very low | 156 Ų | 156 | 136.5 Ų | 136.5 | 73% | 0.729 | 78% | 0.775 | S | S | * | * | | | | 62.5 | 147.3 | 77.2 | -74.1 | -150 | 11 | 0 | 0 | 115.5 | | |
| 127 | R | 33.5 | Very low | 34.7 | Very low | 202 Ų | 202 | 137 Ų | 137 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | | | trans | 79.3 | 121.3 | 158.1 | -156.4 | 174.4 | -67.5 | -84.6 | -7.6 | 113.5 | | |
| 128 | L | 34.3 | Very low | 35 | Very low | 140 Ų | 140 | 132.5 Ų | 132.5 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | | | cis | -158.2 | 174.3 | -6.2 | -76 | 169.1 | 0 | 0 | 0 | 105.6 | | |
| 129 | L | 38.1 | Very low | 35.6 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | cis | -165.6 | 173.4 | -14.1 | -105.2 | 167.4 | 0 | 0 | 0 | 104.3 | | |
| 130 | T | 32 | Very low | 36 | Very low | 121 Ų | 121 | 131.8 Ų | 131.8 | 74% | 0.742 | 77% | 0.765 | S | S | * | * | | | cis | -104.9 | -146.1 | 0.8 | 49.3 | 0 | 0 | 0 | 0 | 109.2 | | |
| 131 | S | 31 | Very low | 36.5 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | cis | -153.7 | -168.1 | 1.8 | -155 | 0 | 0 | 0 | 0 | 111.1 | | |
| 132 | S | 29.2 | Very low | 36.3 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -122.2 | 141.3 | -174 | -179 | 0 | 0 | 0 | 0 | 114.2 | | |
| 133 | A | 32.2 | Very low | 37.1 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | -159.6 | 150.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 134 | S | 31.5 | Very low | 37.6 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | trans | -87.8 | 156 | -171.8 | -175.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 135 | A | 38.4 | Very low | 38.6 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | | | trans | -74.3 | 165.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 136 | P | 46.1 | Very low | 39.9 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | | | | -142.5 | 175.5 | 98.2 | 37.1 | -20.8 | 0 | 0 | 0 | 114.8 | | |
| 137 | P | 44.8 | Very low | 41.2 | Very low | 127 Ų | 127 | 129 Ų | 129 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | -89.9 | 177.9 | -171.6 | 36.3 | -37.5 | 0 | 0 | 0 | 116.3 | | |
| 138 | S | 38.4 | Very low | 42.7 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -62.5 | 143.7 | -169.7 | -45.4 | 0 | 0 | 0 | 0 | 117.1 | | |
| 139 | P | 44.6 | Very low | 43.7 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 79% | 0.791 | S | S | * | * | | | trans | -98.5 | 126.2 | 162.9 | 34.8 | -28.5 | 0 | 0 | 0 | 112.7 | | |
| 140 | S | 43.4 | Very low | 44.7 | Very low | 115 Ų | 115 | 127 Ų | 127 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | -86.9 | 113 | 167.4 | -67.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 141 | H | 39.3 | Very low | 45.7 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | | | trans | -150.3 | 136.2 | 170.2 | -84.7 | -59.6 | 0 | 0 | 0 | 115.1 | | |
| 142 | G | 39.5 | Very low | 46.8 | Very low | 64 Ų | 64 | 125.9 Ų | 125.9 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | | | trans | 88.6 | 85.6 | 134.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | K144 | G142-K144 PolarHBondContact O-N 3.2Š|
| 143 | S | 49.3 | Very low | 48.6 | Very low | 131 Ų | 131 | 125.4 Ų | 125.4 | 92% | 0.916 | 79% | 0.793 | S | S | * | * | | | trans | -57.9 | 105.1 | 161.8 | -53.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 144 | K | 42.6 | Very low | 50.6 | Low | 196 Ų | 196 | 126 Ų | 126 | 85% | 0.852 | 79% | 0.789 | S | S | * | * | | | trans | -135.3 | 102.3 | 167.1 | -68.7 | -171 | 179.3 | -177.5 | 0 | 108.9 | G142 | G142-K144 PolarHBondContact O-N 3.2Š|
| 145 | H | 50.2 | Low | 52.4 | Low | 184 Ų | 184 | 126.3 Ų | 126.3 | 85% | 0.852 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 138.9 | 169.8 | -94.6 | -101.9 | 0 | 0 | 0 | 109.9 | | |
| 146 | P | 65.6 | Low | 54 | Low | 102 Ų | 102 | 128.3 Ų | 128.3 | 66% | 0.662 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 146.9 | 157.2 | 30.6 | -33.2 | 0 | 0 | 0 | 108.8 | | |
| 147 | P | 60.7 | Low | 55.4 | Low | 110 Ų | 110 | 127.9 Ų | 127.9 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 141.4 | 171.7 | 27.8 | -34 | 0 | 0 | 0 | 109.6 | F149 | P147-F149 PolarHBondContact O-N 3.38Š|
| 148 | P | 64.8 | Low | 56.9 | Low | 121 Ų | 121 | 127.3 Ų | 127.3 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 137.3 | 173.9 | 27.7 | -33.7 | 0 | 0 | 0 | 109.8 | | |
| 149 | F | 55.9 | Low | 58.6 | Low | 197 Ų | 197 | 127.6 Ų | 127.6 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 140.5 | 170.1 | -63.1 | -86.9 | 0 | 0 | 0 | 109.6 | P147 A151 | P147-F149 PolarHBondContact O-N 3.38Å; F149-A151 PolarHBondContact O-N 2.61Å; F149-A151 VanDerWaalsContact O-N 3.17Å |
| 150 | P | 59.2 | Low | 59.9 | Low | 120 Ų | 120 | 126.4 Ų | 126.4 | 78% | 0.779 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 120.9 | 173.3 | 26.5 | -33.1 | 0 | 0 | 0 | 108.9 | S152 | P150-S152 PolarHBondContact O-N 3.17Š|
| 151 | A | 52.4 | Low | 61.3 | Low | 96 Ų | 96 | 126.2 Ų | 126.2 | 79% | 0.793 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 128.3 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | F149 S153 | F149-A151 PolarHBondContact O-N 2.61Å; F149-A151 VanDerWaalsContact O-N 3.17Å; A151-S153 PolarHBondContact O-N 3.29Å |
| 152 | S | 54.9 | Low | 62.7 | Low | 117 Ų | 117 | 123 Ų | 123 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 125.9 | 174.7 | -57.8 | 0 | 0 | 0 | 0 | 110.2 | P150 | P150-S152 PolarHBondContact O-N 3.17Š|
| 153 | S | 67.7 | Low | 63.9 | Low | 105 Ų | 105 | 125.7 Ų | 125.7 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 142.1 | 172.8 | -52.7 | 0 | 0 | 0 | 0 | 110.8 | A151 | A151-S153 PolarHBondContact O-N 3.29Š|
| 154 | P | 73.3 | Confident | 64.7 | Low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 145.7 | 172.4 | 27 | -34.4 | 0 | 0 | 0 | 110 | T156 | P154-T156 PolarHBondContact O-N 2.85Š|
| 155 | P | 70.1 | Confident | 66.2 | Low | 126 Ų | 126 | 121.3 Ų | 121.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 136.9 | 178.6 | 26.7 | -34.3 | 0 | 0 | 0 | 110.3 | | |
| 156 | T | 71.6 | Confident | 67.3 | Low | 128 Ų | 128 | 118 Ų | 118 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 143.4 | 173.8 | 37.5 | 0 | 0 | 0 | 0 | 110.8 | P154 | P154-T156 PolarHBondContact O-N 2.85Š|
| 157 | P | 74.6 | Confident | 67.5 | Low | 113 Ų | 113 | 118.6 Ų | 118.6 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 150.6 | 173.6 | 28.2 | -34.8 | 0 | 0 | 0 | 110.5 | | |
| 158 | P | 76.4 | Confident | 67.9 | Low | 115 Ų | 115 | 118.7 Ų | 118.7 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 149.6 | 175.9 | 27.9 | -35 | 0 | 0 | 0 | 110.9 | | |
| 159 | P | 74.2 | Confident | 68.2 | Low | 123 Ų | 123 | 118.2 Ų | 118.2 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 140.6 | 176.4 | 27 | -34.5 | 0 | 0 | 0 | 110.7 | | |
| 160 | A | 71.8 | Confident | 68.4 | Low | 91 Ų | 91 | 114.6 Ų | 114.6 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 143.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 161 | P | 72.6 | Confident | 67.7 | Low | 110 Ų | 110 | 118 Ų | 118 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64 | 150.9 | 173.8 | 28.8 | -35 | 0 | 0 | 0 | 110.7 | S163 | P161-S163 PolarHBondContact O-N 3.46Š|
| 162 | P | 69.1 | Low | 67.2 | Low | 121 Ų | 121 | 122.8 Ų | 122.8 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63 | 128.3 | 179.2 | 26.3 | -34.2 | 0 | 0 | 0 | 110.9 | V164 | P162-V164 PolarHBondContact O-N 3.22Å; P162-V164 VanDerWaalsContact O-N 3.17Å |
| 163 | S | 64.3 | Low | 66.6 | Low | 121 Ų | 121 | 122 Ų | 122 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | | | trans | -61.8 | 115.6 | 177.6 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | P161 | P161-S163 PolarHBondContact O-N 3.46Š|
| 164 | V | 66.9 | Low | 65.8 | Low | 131 Ų | 131 | 125.5 Ų | 125.5 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 128.8 | 169.7 | -178.1 | 0 | 0 | 0 | 0 | 108.3 | P162 | P162-V164 PolarHBondContact O-N 3.22Å; P162-V164 VanDerWaalsContact O-N 3.17Å |
| 165 | P | 74.8 | Confident | 64.1 | Low | 103 Ų | 103 | 131.6 Ų | 131.6 | 67% | 0.669 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 147.9 | 177.2 | 27.2 | -34.6 | 0 | 0 | 0 | 110.9 | | |
| 166 | P | 73 | Confident | 62.8 | Low | 114 Ų | 114 | 131.5 Ų | 131.5 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 148.8 | 177.4 | 27.5 | -34.9 | 0 | 0 | 0 | 111 | | |
| 167 | P | 69 | Low | 61.7 | Low | 115 Ų | 115 | 129.8 Ų | 129.8 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 148.2 | 176.9 | 27.8 | -34.9 | 0 | 0 | 0 | 111 | | |
| 168 | P | 69.8 | Low | 59.9 | Low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 149.2 | 177.8 | 27.6 | -34.9 | 0 | 0 | 0 | 111.3 | | |
| 169 | P | 70 | Confident | 58.2 | Low | 110 Ų | 110 | 131.6 Ų | 131.6 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 146.5 | 176.9 | 28.1 | -34.9 | 0 | 0 | 0 | 111 | H171 | P169-H171 PolarHBondContact O-N 3.16Š|
| 170 | P | 60.6 | Low | 56.5 | Low | 121 Ų | 121 | 131.7 Ų | 131.7 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 133.4 | 180 | 27.2 | -34.3 | 0 | 0 | 0 | 111.1 | Q172 | P170-Q172 PolarHBondContact O-N 2.97Š|
| 171 | H | 45.4 | Very low | 55 | Low | 192 Ų | 192 | 137.6 Ų | 137.6 | 89% | 0.889 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 121.4 | 175.8 | -64.3 | -81.8 | 0 | 0 | 0 | 110.7 | P169 A173 | P169-H171 PolarHBondContact O-N 3.16Å; H171-A173 PolarHBondContact O-N 2.89Å |
| 172 | Q | 42 | Very low | 53.7 | Low | 197 Ų | 197 | 137.9 Ų | 137.9 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | -75.1 | 113.5 | 175.7 | -69.1 | -176.7 | -39.9 | 0 | 0 | 109.6 | P170 | P170-Q172 PolarHBondContact O-N 2.97Š|
| 173 | A | 42.3 | Very low | 52.4 | Low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | | | trans | -83.5 | 123.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | H171 R175 | H171-A173 PolarHBondContact O-N 2.89Å; A173-R175 PolarHBondContact O-N 3.43Å |
| 174 | E | 49.7 | Very low | 51.4 | Low | 179 Ų | 179 | 142.9 Ų | 142.9 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | | | trans | -43.2 | 128.9 | 175.2 | -71.7 | -81.5 | 113.6 | 0 | 0 | 114 | | |
| 175 | R | 37 | Very low | 50.6 | Low | 240 Ų | 240 | 143.6 Ų | 143.6 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | | | trans | -171.8 | 162.9 | 139 | -102.4 | -167.3 | -154.9 | 99.3 | 9.7 | 111.9 | A173 | A173-R175 PolarHBondContact O-N 3.43Š|
| 176 | P | 44 | Very low | 49 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -101.6 | 174.9 | -138.7 | 39.3 | -39.8 | 0 | 0 | 0 | 116.2 | | |
| 177 | A | 47.5 | Very low | 47.4 | Very low | 92 Ų | 92 | 144.8 Ų | 144.8 | 76% | 0.76 | 79% | 0.79 | S | S | * | * | | | trans | -84.1 | 134.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 178 | N | 37.3 | Very low | 46.1 | Very low | 152 Ų | 152 | 147.7 Ų | 147.7 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | trans | -170.5 | 146.8 | 144.3 | -113.4 | -109.9 | 0 | 0 | 0 | 107.1 | | |
| 179 | V | 40.7 | Very low | 44.6 | Very low | 113 Ų | 113 | 149.7 Ų | 149.7 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | | | cis | -166.5 | 157.8 | -20.3 | 111.5 | 0 | 0 | 0 | 0 | 106.8 | | |
| 180 | T | 37.7 | Very low | 43.2 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | | | trans | 57.9 | 111.7 | 170.7 | -59.5 | 0 | 0 | 0 | 0 | 118.9 | | |
| 181 | R | 40.4 | Very low | 42.1 | Very low | 215 Ų | 215 | 151.4 Ų | 151.4 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | -108.5 | 152.8 | 150.2 | -56.7 | 172.6 | 76.2 | 174.8 | 5.4 | 108.3 | | |
| 182 | P | 45.3 | Very low | 41.9 | Very low | 116 Ų | 116 | 151.7 Ų | 151.7 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | | | trans | -93 | 138.5 | 141.1 | 31.9 | -28.7 | 0 | 0 | 0 | 109.7 | | |
| 183 | T | 42.8 | Very low | 41.7 | Very low | 101 Ų | 101 | 148.5 Ų | 148.5 | 62% | 0.62 | 79% | 0.789 | S | S | * | * | | | trans | -101.9 | 125.1 | -174.2 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 184 | W | 42.7 | Very low | 41.9 | Very low | 246 Ų | 246 | 149.5 Ų | 149.5 | 93% | 0.932 | 79% | 0.789 | S | S | * | * | | | trans | -134.9 | 104.7 | 159 | -78.6 | 104 | 0 | 0 | 0 | 109.3 | | |
| 185 | L | 50.8 | Low | 41.6 | Very low | 145 Ų | 145 | 148.2 Ų | 148.2 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | | | trans | 152.2 | 102.8 | 158.9 | -88.3 | -176.6 | 0 | 0 | 0 | 108.2 | V187 | L185-V187 PolarHBondContact O-N 3.04Š|
| 186 | P | 40.7 | Very low | 42.1 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 84% | 0.844 | 78% | 0.781 | S | S | * | * | | | trans | -77.8 | 99.9 | 169.6 | 30.7 | -30.9 | 0 | 0 | 0 | 109.7 | | |
| 187 | V | 40.1 | Very low | 42.4 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 68% | 0.679 | 78% | 0.782 | S | S | * | * | | | trans | -75.8 | 144.6 | 165.2 | 173.4 | 0 | 0 | 0 | 0 | 109.1 | L185 H189 | L185-V187 PolarHBondContact O-N 3.04Å; V187-H189 PolarHBondContact O-CD2 3.3Å; V187-H189 VanDerWaalsContact O-CD2 3.29Å; V187-H189 PolarHBondContact O-N 3.29Å |
| 188 | Q | 42.1 | Very low | 42.3 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | -50.9 | 129.3 | -178.1 | -62.2 | -97.7 | -83.2 | 0 | 0 | 112.9 | | |
| 189 | H | 37.5 | Very low | 43 | Very low | 155 Ų | 155 | 144.6 Ų | 144.6 | 72% | 0.718 | 78% | 0.783 | S | S | * | * | | | trans | -122.7 | 110.7 | 165.1 | -76.2 | -87 | 0 | 0 | 0 | 109.5 | V187 H191 | V187-H189 PolarHBondContact O-CD2 3.3Å; V187-H189 VanDerWaalsContact O-CD2 3.29Å; V187-H189 PolarHBondContact O-N 3.29Å; H189-H191 PolarHBondContact O-N 3.16Å |
| 190 | S | 40.9 | Very low | 44.1 | Very low | 109 Ų | 109 | 145.2 Ų | 145.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | | | trans | -79.9 | 114.3 | -179 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 191 | H | 37.3 | Very low | 45.6 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 73% | 0.731 | 78% | 0.784 | S | S | * | * | | | trans | -127.8 | 128.1 | 171.2 | -60.2 | -48.8 | 0 | 0 | 0 | 109.6 | H189 | H189-H191 PolarHBondContact O-N 3.16Š|
| 192 | H | 41.9 | Very low | 47.1 | Very low | 198 Ų | 198 | 139.6 Ų | 139.6 | 92% | 0.917 | 78% | 0.781 | S | S | * | * | | | trans | -69.3 | 133.2 | -179.9 | -78.4 | -120.6 | 0 | 0 | 0 | 110.7 | | |
| 193 | T | 37.8 | Very low | 48.5 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | | | trans | -137.9 | 124.8 | 161.3 | -63.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 194 | S | 46.4 | Very low | 49.9 | Very low | 120 Ų | 120 | 140.4 Ų | 140.4 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -89.5 | 111.6 | -175.7 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 195 | L | 41.5 | Very low | 51.5 | Low | 152 Ų | 152 | 134.1 Ų | 134.1 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | -143.8 | 158.3 | 165.6 | -86.7 | -179.5 | 0 | 0 | 0 | 109.3 | | |
| 196 | P | 48 | Very low | 52.5 | Low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 165.8 | -153.7 | 29.3 | -36.6 | 0 | 0 | 0 | 115.6 | | |
| 197 | Q | 51.1 | Low | 53.7 | Low | 177 Ų | 177 | 132 Ų | 132 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 142.1 | 179.6 | -65.4 | 173.4 | -103.2 | 0 | 0 | 113.1 | | |
| 198 | P | 44.8 | Very low | 54.6 | Low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 132.1 | 154.2 | 30.9 | -31.9 | 0 | 0 | 0 | 109.1 | | |
| 199 | S | 52.5 | Low | 55.2 | Low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 135.9 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 200 | T | 64.4 | Low | 56 | Low | 126 Ų | 126 | 132.4 Ų | 132.4 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 134.6 | 166.3 | -28.5 | 0 | 0 | 0 | 0 | 109.4 | | |
| 201 | P | 68.3 | Low | 56.9 | Low | 107 Ų | 107 | 132.5 Ų | 132.5 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 146.7 | 168 | 27.2 | -34.2 | 0 | 0 | 0 | 109.7 | | |
| 202 | P | 72.1 | Confident | 57.6 | Low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -63 | 151.2 | 175.2 | 28 | -34.7 | 0 | 0 | 0 | 110.6 | | |
| 203 | P | 74.2 | Confident | 57.7 | Low | 117 Ų | 117 | 127.2 Ų | 127.2 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 150.3 | 175.1 | 27.8 | -35 | 0 | 0 | 0 | 110.9 | | |
| 204 | P | 73.7 | Confident | 57.9 | Low | 117 Ų | 117 | 125.3 Ų | 125.3 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 150.3 | 175.9 | 27.7 | -35 | 0 | 0 | 0 | 110.9 | | |
| 205 | P | 74.5 | Confident | 57.4 | Low | 115 Ų | 115 | 124.8 Ų | 124.8 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 150.9 | 174.9 | 28.2 | -35.1 | 0 | 0 | 0 | 110.9 | | |
| 206 | P | 72.8 | Confident | 57.6 | Low | 112 Ų | 112 | 125.1 Ų | 125.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 147.7 | 174.4 | 27.7 | -34.9 | 0 | 0 | 0 | 110.6 | L208 | P206-L208 PolarHBondContact O-N 3.23Š|
| 207 | P | 65.5 | Low | 57.6 | Low | 118 Ų | 118 | 125.4 Ų | 125.4 | 77% | 0.766 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 135 | 179.7 | 26.5 | -34.4 | 0 | 0 | 0 | 110.7 | T209 | P207-T209 PolarHBondContact O-N 3.14Š|
| 208 | L | 59.4 | Low | 57.1 | Low | 150 Ų | 150 | 123.7 Ų | 123.7 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -64 | 120.5 | 174 | -68 | 173.4 | 0 | 0 | 0 | 109.4 | P206 H210 | P206-L208 PolarHBondContact O-N 3.23Å; L208-H210 VanDerWaalsContact C-N 3.34Å; L208-H210 PolarHBondContact O-CD2 3.18Å; L208-H210 VanDerWaalsContact O-CD2 3.28Å; L208-H210 PolarHBondContact O-N 2.99Å |
| 209 | T | 55.4 | Low | 57 | Low | 137 Ų | 137 | 128 Ų | 128 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | | | trans | -74.1 | 86.3 | 177.2 | 44.5 | 0 | 0 | 0 | 0 | 110.5 | P207 P211 | P207-T209 PolarHBondContact O-N 3.14Å; T209-P211 WeakPolarHBondContact O-CD 3.38Å |
| 210 | H | 52.7 | Low | 56.2 | Low | 164 Ų | 164 | 128 Ų | 128 | 76% | 0.759 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 123.4 | 168 | -71.1 | -95 | 0 | 0 | 0 | 109.9 | L208 | L208-H210 VanDerWaalsContact C-N 3.34Å; L208-H210 PolarHBondContact O-CD2 3.18Å; L208-H210 VanDerWaalsContact O-CD2 3.28Å; L208-H210 PolarHBondContact O-N 2.99Å |
| 211 | P | 61.4 | Low | 55.2 | Low | 112 Ų | 112 | 128 Ų | 128 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 147.8 | 169.7 | 29.9 | -33.8 | 0 | 0 | 0 | 110 | T209 | T209-P211 WeakPolarHBondContact O-CD 3.38Š|
| 212 | P | 51.3 | Low | 53.8 | Low | 106 Ų | 106 | 125.9 Ų | 125.9 | 69% | 0.688 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 134.2 | 178.8 | 28.3 | -34 | 0 | 0 | 0 | 110.9 | S214 | P212-S214 VanDerWaalsContact C-N 3.26Å; P212-S214 PolarHBondContact O-N 3.07Å |
| 213 | P | 44.3 | Very low | 52.1 | Low | 138 Ų | 138 | 130.7 Ų | 130.7 | 90% | 0.896 | 77% | 0.772 | S | S | * | * | | | trans | -75.8 | 78.6 | 174 | 31.5 | -34.4 | 0 | 0 | 0 | 110.6 | | |
| 214 | S | 41.3 | Very low | 50.9 | Low | 92 Ų | 92 | 134.9 Ų | 134.9 | 64% | 0.643 | 78% | 0.779 | S | S | * | * | | | trans | -74.7 | 145.5 | 169.9 | -71.8 | 0 | 0 | 0 | 0 | 111.7 | P212 | P212-S214 VanDerWaalsContact C-N 3.26Å; P212-S214 PolarHBondContact O-N 3.07Å |
| 215 | S | 37 | Very low | 49.1 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | 58.1 | 113.9 | 163.2 | 49.7 | 0 | 0 | 0 | 0 | 118.6 | P217 | S215-P217 WeakPolarHBondContact O-CD 3.44Š|
| 216 | I | 45.4 | Very low | 47.4 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | | | trans | -49.5 | 139.2 | 153.6 | -60.1 | 152 | 0 | 0 | 0 | 110.6 | | |
| 217 | P | 47.8 | Very low | 45.8 | Very low | 124 Ų | 124 | 142 Ų | 142 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | | | trans | -110 | 143.3 | 135.7 | -12.1 | 31 | 0 | 0 | 0 | 112.5 | S215 | S215-P217 WeakPolarHBondContact O-CD 3.44Š|
| 218 | D | 40.1 | Very low | 45 | Very low | 140 Ų | 140 | 142 Ų | 142 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | | | trans | -93.6 | 172.6 | 177.8 | 175.7 | 35.7 | 0 | 0 | 0 | 111.3 | | |
| 219 | R | 42.2 | Very low | 44.8 | Very low | 214 Ų | 214 | 140.7 Ų | 140.7 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | trans | 90.3 | 108.1 | 159.2 | -50.2 | 177.8 | 69.1 | -174.3 | 1.1 | 119.3 | | |
| 220 | S | 37.4 | Very low | 44.6 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | | | | 96.6 | 143.5 | 119.2 | -162.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 221 | S | 42.2 | Very low | 43.7 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 88% | 0.881 | 78% | 0.779 | S | S | * | * | | | trans | 82.5 | 144 | 164.4 | -153.1 | 0 | 0 | 0 | 0 | 118 | | |
| 222 | G | 39.2 | Very low | 42.6 | Very low | 62 Ų | 62 | 140.3 Ų | 140.3 | 64% | 0.639 | 78% | 0.781 | S | S | * | * | | | trans | 130.7 | 28.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 118.7 | F224 | G222-F224 PolarHBondContact O-N 3.47Š|
| 223 | Y | 37.3 | Very low | 41.9 | Very low | 217 Ų | 217 | 142.7 Ų | 142.7 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | | | trans | -62.3 | 121.4 | 169.5 | -102.3 | -98.1 | 0 | 0 | 0 | 111 | | |
| 224 | F | 47.4 | Very low | 42.1 | Very low | 204 Ų | 204 | 142.2 Ų | 142.2 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | | | trans | -137.4 | 140.8 | 159 | -87.1 | -76.2 | 0 | 0 | 0 | 111.3 | G222 | G222-F224 PolarHBondContact O-N 3.47Š|
| 225 | F | 36.3 | Very low | 42.1 | Very low | 160 Ų | 160 | 141.2 Ų | 141.2 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | | | trans | -87 | 144.1 | -167.8 | -78.6 | -116.4 | 0 | 0 | 0 | 112.7 | | |
| 226 | Y | 38.3 | Very low | 42.1 | Very low | 238 Ų | 238 | 147.5 Ų | 147.5 | 93% | 0.933 | 78% | 0.78 | S | S | * | * | | | | -145.8 | 138.4 | 128.9 | -87.7 | -69.7 | 0 | 0 | 0 | 109.4 | | |
| 227 | S | 40.7 | Very low | 41.9 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | | | trans | -108.1 | 146.4 | -175.4 | -58.9 | 0 | 0 | 0 | 0 | 112.1 | | |
| 228 | P | 48.3 | Very low | 42 | Very low | 118 Ų | 118 | 147.9 Ų | 147.9 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | trans | -82.2 | 160 | 175.1 | 34.7 | -35.7 | 0 | 0 | 0 | 112.7 | | |
| 229 | P | 54.3 | Low | 42.5 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | | | trans | -77.1 | 158.3 | 173.1 | 32.3 | -35 | 0 | 0 | 0 | 113.2 | | |
| 230 | P | 52.4 | Low | 42.6 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | trans | -104.3 | -160.6 | -170.4 | 42 | -37.3 | 0 | 0 | 0 | 114.6 | | |
| 231 | F | 33.5 | Very low | 42.8 | Very low | 191 Ų | 191 | 149.4 Ų | 149.4 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | 85 | 131.6 | -179.7 | -57.5 | -70.9 | 0 | 0 | 0 | 115.3 | | |
| 232 | S | 37.9 | Very low | 43.2 | Very low | 111 Ų | 111 | 149.8 Ų | 149.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | | | cis | -149.8 | 157 | -2.6 | -87 | 0 | 0 | 0 | 0 | 112.7 | | |
| 233 | E | 36.2 | Very low | 43.8 | Very low | 156 Ų | 156 | 151.5 Ų | 151.5 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | | | trans | -85.4 | 167.3 | 171.4 | -141.5 | -161.1 | 90.5 | 0 | 0 | 111.4 | S235 | E233-S235 WeakPolarHBondContact OE1-CB 3.19Å; E233-S235 PolarHBondContact OE1-N 3.4Å |
| 234 | P | 48.2 | Very low | 44.6 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 83% | 0.831 | 77% | 0.769 | S | S | * | * | | | | -142.1 | 146.7 | 78 | 36.5 | -19.2 | 0 | 0 | 0 | 116.5 | | |
| 235 | S | 42.8 | Very low | 45.3 | Very low | 71 Ų | 71 | 144.9 Ų | 144.9 | 50% | 0.497 | 76% | 0.764 | S | S | . | * | | | trans | -75.2 | 151.2 | -178.5 | 175.2 | 0 | 0 | 0 | 0 | 114.9 | E233 | E233-S235 WeakPolarHBondContact OE1-CB 3.19Å; E233-S235 PolarHBondContact OE1-N 3.4Å |
| 236 | R | 35.7 | Very low | 46.8 | Very low | 240 Ų | 240 | 140.3 Ų | 140.3 | 91% | 0.906 | 76% | 0.762 | S | S | * | * | | | trans | -151 | 79.8 | 145.5 | -166.4 | 176.6 | -64.8 | 165.7 | 2.1 | 112.3 | | |
| 237 | F | 41.7 | Very low | 48.5 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | trans | -81.5 | 163.9 | 154.7 | -66.8 | -79.8 | 0 | 0 | 0 | 110 | | |
| 238 | P | 50.8 | Low | 50.1 | Low | 128 Ų | 128 | 135.7 Ų | 135.7 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | | -121.2 | 157.8 | 88.9 | 36.6 | -34.3 | 0 | 0 | 0 | 113.9 | | |
| 239 | I | 48.7 | Very low | 51.3 | Low | 146 Ų | 146 | 135.6 Ų | 135.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | trans | -87.1 | 135.8 | -178.5 | -64.1 | 153.4 | 0 | 0 | 0 | 109.7 | | |
| 240 | L | 44.5 | Very low | 52.5 | Low | 161 Ų | 161 | 135.2 Ų | 135.2 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | | | trans | -148.5 | 107.9 | 154.3 | -156.5 | 70.4 | 0 | 0 | 0 | 113.8 | | |
| 241 | R | 42.8 | Very low | 53.8 | Low | 195 Ų | 195 | 135.9 Ų | 135.9 | 74% | 0.736 | 76% | 0.76 | S | S | * | * | | | trans | 63.3 | 110.8 | 152.2 | -67.4 | -70.2 | 174.6 | -178.2 | -0.1 | 120.7 | | |
| 242 | D | 50.2 | Low | 55.8 | Low | 134 Ų | 134 | 132.3 Ų | 132.3 | 72% | 0.717 | 76% | 0.756 | S | S | * | * | | | trans | 22.1 | 105.7 | 133.3 | -52.6 | -78 | 0 | 0 | 0 | 118.1 | | |
| 243 | S | 51 | Low | 57.6 | Low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 75% | 0.753 | S | S | * | * | | | trans | -152.5 | 138.2 | 151.6 | -79.6 | 0 | 0 | 0 | 0 | 109.2 | L245 | S243-L245 PolarHBondContact O-N 3.29Å; S243-L245 VanDerWaalsContact O-N 3.13Å |
| 244 | P | 55.1 | Low | 59.4 | Low | 133 Ų | 133 | 130.9 Ų | 130.9 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -78.5 | 8.5 | -174.4 | 33.4 | -37.4 | 0 | 0 | 0 | 113.8 | | |
| 245 | L | 62.2 | Low | 60.3 | Low | 149 Ų | 149 | 132.4 Ų | 132.4 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -110.7 | 127.7 | 176.2 | -58.5 | 177.5 | 0 | 0 | 0 | 107.5 | S243 | S243-L245 PolarHBondContact O-N 3.29Å; S243-L245 VanDerWaalsContact O-N 3.13Å |
| 246 | G | 67.7 | Low | 61 | Low | 64 Ų | 64 | 134.5 Ų | 134.5 | 66% | 0.66 | 77% | 0.77 | S | S | * | * | | | trans | -64.7 | 176 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 247 | P | 73.3 | Confident | 61.7 | Low | 124 Ų | 124 | 128.6 Ų | 128.6 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 140.7 | 178.8 | 24.7 | -34.5 | 0 | 0 | 0 | 110.9 | | |
| 248 | P | 74 | Confident | 61.6 | Low | 115 Ų | 115 | 126.2 Ų | 126.2 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 146.2 | -178.3 | 26.1 | -34.6 | 0 | 0 | 0 | 110.7 | | |
| 249 | P | 74.4 | Confident | 61.2 | Low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 148.8 | 177.4 | 27.2 | -34.8 | 0 | 0 | 0 | 110.8 | | |
| 250 | P | 78.9 | Confident | 60.8 | Low | 114 Ų | 114 | 128.6 Ų | 128.6 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 150.8 | 176.8 | 27.3 | -35.1 | 0 | 0 | 0 | 111.1 | | |
| 251 | P | 79.4 | Confident | 60.5 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 147.2 | 178.5 | 27 | -34.9 | 0 | 0 | 0 | 111.2 | | |
| 252 | P | 75.9 | Confident | 60.2 | Low | 115 Ų | 115 | 122.6 Ų | 122.6 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 150.2 | 177.4 | 28.3 | -35.1 | 0 | 0 | 0 | 111.1 | | |
| 253 | P | 75.8 | Confident | 59.6 | Low | 110 Ų | 110 | 120.8 Ų | 120.8 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 148.6 | 175.2 | 28.1 | -35 | 0 | 0 | 0 | 110.9 | L255 | P253-L255 PolarHBondContact O-N 3.46Š|
| 254 | P | 74.8 | Confident | 59.3 | Low | 128 Ų | 128 | 121.8 Ų | 121.8 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 128.9 | 177.8 | 26.3 | -34 | 0 | 0 | 0 | 110.4 | | |
| 255 | L | 66.1 | Low | 58.5 | Low | 159 Ų | 159 | 120.7 Ų | 120.7 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 139.5 | 173.8 | -66.6 | 172.9 | 0 | 0 | 0 | 109.8 | P253 T257 | P253-L255 PolarHBondContact O-N 3.46Å; L255-T257 PolarHBondContact O-N 3.42Å |
| 256 | P | 58 | Low | 58 | Low | 116 Ų | 116 | 120.1 Ų | 120.1 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 130.9 | 174.8 | 26.9 | -33.9 | 0 | 0 | 0 | 109.8 | S258 | P256-S258 PolarHBondContact O-N 3.49Å; P256-S258 VanDerWaalsContact O-N 3.12Å |
| 257 | T | 49.9 | Very low | 57.4 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -62.6 | 112.7 | 176.7 | 48.3 | 0 | 0 | 0 | 0 | 110.2 | L255 F259 | L255-T257 PolarHBondContact O-N 3.42Å; T257-F259 WeakPolarHBondContact O-CD2 3.44Å; T257-F259 PolarHBondContact O-N 3.49Å |
| 258 | S | 39.6 | Very low | 56.6 | Low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -58.8 | 107.5 | 173.9 | -68.1 | 0 | 0 | 0 | 0 | 110.4 | P256 T260 | P256-S258 PolarHBondContact O-N 3.49Å; P256-S258 VanDerWaalsContact O-N 3.12Å; S258-T260 PolarHBondContact O-N 3.29Å; S258-T260 VanDerWaalsContact O-N 3.16Å |
| 259 | F | 43.2 | Very low | 56.1 | Low | 194 Ų | 194 | 123.1 Ų | 123.1 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | | | trans | -58.9 | 116.7 | 171.5 | -71.7 | -95.1 | 0 | 0 | 0 | 109.3 | T257 P261 | T257-F259 WeakPolarHBondContact O-CD2 3.44Å; T257-F259 PolarHBondContact O-N 3.49Å; F259-P261 VanDerWaalsContact O-CD 3.27Å; F259-P261 WeakPolarHBondContact O-CD 3.33Å |
| 260 | T | 39.6 | Very low | 55.3 | Low | 130 Ų | 130 | 123.1 Ų | 123.1 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | | | trans | -80.9 | 113 | 170.8 | 40.1 | 0 | 0 | 0 | 0 | 109.1 | S258 S262 | S258-T260 PolarHBondContact O-N 3.29Å; S258-T260 VanDerWaalsContact O-N 3.16Å; T260-S262 PolarHBondContact O-N 3.13Å; T260-S262 VanDerWaalsContact O-N 3.11Å |
| 261 | P | 39.2 | Very low | 54.4 | Low | 112 Ų | 112 | 123.2 Ų | 123.2 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -68.4 | 112.4 | 172.9 | 27.7 | -32.6 | 0 | 0 | 0 | 109.1 | F259 C263 | F259-P261 VanDerWaalsContact O-CD 3.27Å; F259-P261 WeakPolarHBondContact O-CD 3.33Å; P261-C263 PolarHBondContact O-N 3.49Å; P261-C263 VanDerWaalsContact O-N 3.13Å |
| 262 | S | 36.3 | Very low | 53.3 | Low | 118 Ų | 118 | 123.5 Ų | 123.5 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | | | trans | -71.2 | 103.1 | 173.9 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | T260 P264 | T260-S262 PolarHBondContact O-N 3.13Å; T260-S262 VanDerWaalsContact O-N 3.11Å; S262-P264 WeakPolarHBondContact O-CD 3.47Å |
| 263 | C | 37.8 | Very low | 51.9 | Low | 95 Ų | 95 | 128.1 Ų | 128.1 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | | | trans | -91.1 | 115.4 | 174.4 | -66.2 | 0 | 0 | 0 | 0 | 110 | P261 T265 | P261-C263 PolarHBondContact O-N 3.49Å; P261-C263 VanDerWaalsContact O-N 3.13Å; C263-T265 PolarHBondContact O-N 2.83Å |
| 264 | P | 44 | Very low | 50.9 | Low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -78 | 85.8 | -178.8 | 31.5 | -34.9 | 0 | 0 | 0 | 111.4 | S262 T266 | S262-P264 WeakPolarHBondContact O-CD 3.47Å; P264-T266 PolarHBondContact O-N 2.83Å; P264-T266 VanDerWaalsContact O-N 3.08Å |
| 265 | T | 39.2 | Very low | 49.6 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | | | trans | -79.1 | 88.2 | 176.3 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | C263 L267 | C263-T265 PolarHBondContact O-N 2.83Å; T265-L267 HydrophobicContact CG2-CB 4.35Å; T265-L267 HydrophobicContact CG2-CD1 3.6Å; T265-L267 HydrophobicContact CG2-CG 3.72Å; T265-L267 PolarHBondContact O-N 3.11Å |
| 266 | T | 52 | Low | 48.5 | Very low | 138 Ų | 138 | 126 Ų | 126 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | | | trans | -75.7 | 104.2 | 161.1 | -58.9 | 0 | 0 | 0 | 0 | 109.2 | P264 | P264-T266 PolarHBondContact O-N 2.83Å; P264-T266 VanDerWaalsContact O-N 3.08Å |
| 267 | L | 55 | Low | 47.9 | Very low | 138 Ų | 138 | 126.6 Ų | 126.6 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | | | trans | -128 | 142.2 | 167.9 | -75.7 | 174 | 0 | 0 | 0 | 109.9 | T265 | T265-L267 HydrophobicContact CG2-CB 4.35Å; T265-L267 HydrophobicContact CG2-CD1 3.6Å; T265-L267 HydrophobicContact CG2-CG 3.72Å; T265-L267 PolarHBondContact O-N 3.11Å |
| 268 | P | 56.3 | Low | 47.7 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 152.7 | 178.6 | 30.2 | -35.2 | 0 | 0 | 0 | 111.7 | | |
| 269 | P | 62.7 | Low | 47.6 | Very low | 117 Ų | 117 | 127 Ų | 127 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -67 | 148.7 | 177.8 | 28.6 | -35.1 | 0 | 0 | 0 | 111.9 | | |
| 270 | P | 58.4 | Low | 47.9 | Very low | 116 Ų | 116 | 122.8 Ų | 122.8 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 149.6 | 178.1 | 30.1 | -35.2 | 0 | 0 | 0 | 112.1 | | |
| 271 | P | 58.4 | Low | 48.1 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 76% | 0.76 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 155.2 | -179.8 | 29.1 | -35.6 | 0 | 0 | 0 | 113.1 | | |
| 272 | P | 56.3 | Low | 48.3 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 149.6 | -177.4 | 27.7 | -35.3 | 0 | 0 | 0 | 113 | V274 | P272-V274 PolarHBondContact O-N 3.46Š|
| 273 | K | 47 | Very low | 48.6 | Very low | 212 Ų | 212 | 129.8 Ų | 129.8 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | | | trans | -93.6 | 95.4 | -166.7 | -159.7 | 176.5 | -169.7 | 177.5 | 0 | 111.5 | | |
| 274 | V | 54.3 | Low | 48.8 | Very low | 136 Ų | 136 | 130.8 Ų | 130.8 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 151.4 | 174 | -65.1 | 0 | 0 | 0 | 0 | 112.2 | P272 | P272-V274 PolarHBondContact O-N 3.46Š|
| 275 | A | 49 | Very low | 48.8 | Very low | 86 Ų | 86 | 132.8 Ų | 132.8 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 151.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113 | V277 | A275-V277 PolarHBondContact O-N 2.69Š|
| 276 | P | 41.6 | Very low | 49.3 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 121.2 | -178.1 | -13.3 | 29.6 | 0 | 0 | 0 | 112.6 | | |
| 277 | V | 45.7 | Very low | 49.4 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 130.8 | 162.9 | 172.4 | 0 | 0 | 0 | 0 | 109 | A275 S279 | A275-V277 PolarHBondContact O-N 2.69Å; V277-S279 PolarHBondContact O-N 3.45Å; V277-S279 VanDerWaalsContact O-N 3.1Å |
| 278 | P | 46.1 | Very low | 48.7 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -74.3 | 100 | 176.1 | 29.8 | -33.5 | 0 | 0 | 0 | 110.6 | | |
| 279 | S | 37.8 | Very low | 47.9 | Very low | 111 Ų | 111 | 135.8 Ų | 135.8 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | | | trans | -76.1 | 136.4 | 178.4 | -167.7 | 0 | 0 | 0 | 0 | 112.3 | V277 A281 | V277-S279 PolarHBondContact O-N 3.45Å; V277-S279 VanDerWaalsContact O-N 3.1Å; S279-A281 PolarHBondContact O-N 2.85Å |
| 280 | A | 50.2 | Low | 47.2 | Very low | 106 Ų | 106 | 135.3 Ų | 135.3 | 88% | 0.876 | 80% | 0.803 | S | S | * | * | | | trans | -78.8 | 87 | -171 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 281 | A | 42.8 | Very low | 46.2 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | | | trans | -121 | 27.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S279 R283 | S279-A281 PolarHBondContact O-N 2.85Å; A281-R283 PolarHBondContact O-N 3.3Å |
| 282 | M | 42.9 | Very low | 45.7 | Very low | 186 Ų | 186 | 136.4 Ų | 136.4 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | trans | -72.5 | 71.5 | 172.5 | -77.7 | -66.9 | -72 | 0 | 0 | 111.7 | | |
| 283 | R | 43.7 | Very low | 44.8 | Very low | 236 Ų | 236 | 136.2 Ų | 136.2 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | | | trans | -99.7 | 94.7 | 165.7 | -86.6 | -176.5 | 162.3 | -102.6 | -2.3 | 109.8 | A281 L285 | A281-R283 PolarHBondContact O-N 3.3Å; R283-L285 PolarHBondContact O-N 3.23Å |
| 284 | S | 41.2 | Very low | 44.4 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 123.5 | 169.6 | 37.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 285 | L | 45.3 | Very low | 43.8 | Very low | 162 Ų | 162 | 130.9 Ų | 130.9 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 145.9 | 165.3 | -71.6 | 171.6 | 0 | 0 | 0 | 109.5 | R283 | R283-L285 PolarHBondContact O-N 3.23Š|
| 286 | P | 49.5 | Very low | 43.7 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 147.4 | -176.8 | 28.9 | -35.2 | 0 | 0 | 0 | 112.1 | S288 | P286-S288 PolarHBondContact O-N 2.97Š|
| 287 | P | 53.4 | Low | 43.9 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 117.4 | 176.7 | 28.5 | -33.5 | 0 | 0 | 0 | 111.1 | Y289 | P287-Y289 PolarHBondContact O-N 3.32Š|
| 288 | S | 39.7 | Very low | 43.7 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | | | trans | -84.8 | 110.1 | 179.6 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | P286 | P286-S288 PolarHBondContact O-N 2.97Š|
| 289 | Y | 39.1 | Very low | 43.5 | Very low | 209 Ų | 209 | 141.9 Ų | 141.9 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | | | trans | 52 | 138.7 | 163 | -71.3 | -91 | 0 | 0 | 0 | 120.4 | P287 | P287-Y289 PolarHBondContact O-N 3.32Š|
| 290 | P | 49.1 | Very low | 43.7 | Very low | 106 Ų | 106 | 141.4 Ų | 141.4 | 69% | 0.688 | 79% | 0.792 | S | S | * | * | | | trans | -73.1 | 129.5 | 173.1 | 30.8 | -33.8 | 0 | 0 | 0 | 111.6 | N292 | P290-N292 PolarHBondContact O-N 2.91Š|
| 291 | C | 37.3 | Very low | 43.4 | Very low | 107 Ų | 107 | 142.4 Ų | 142.4 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | | | trans | -83.9 | 107.5 | 170.6 | -166.5 | 0 | 0 | 0 | 0 | 109.7 | I293 | C291-I293 VanDerWaalsContact C-N 3.28Å; C291-I293 PolarHBondContact O-N 3.39Å |
| 292 | N | 47.5 | Very low | 43.3 | Very low | 150 Ų | 150 | 144 Ų | 144 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | | | trans | -74.4 | 73.8 | -176.3 | -74 | -18.8 | 0 | 0 | 0 | 112.5 | P290 | P290-N292 PolarHBondContact O-N 2.91Š|
| 293 | I | 37.6 | Very low | 43.6 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 61% | 0.605 | 79% | 0.791 | S | S | * | * | | | trans | -94.9 | 117.2 | 170.4 | -64.6 | 163.9 | 0 | 0 | 0 | 108.6 | C291 T295 | C291-I293 VanDerWaalsContact C-N 3.28Å; C291-I293 PolarHBondContact O-N 3.39Å; I293-T295 PolarHBondContact O-N 3.48Å; I293-T295 PolarHBondContact O-OG1 2.98Å |
| 294 | P | 39.3 | Very low | 43.3 | Very low | 129 Ų | 129 | 140.9 Ų | 140.9 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | | | trans | -67.4 | 72.1 | 179.8 | -23.2 | 36.2 | 0 | 0 | 0 | 114.2 | R296 | P294-R296 PolarHBondContact O-N 3.41Å; P294-R296 VanDerWaalsContact O-N 3.17Å |
| 295 | T | 42 | Very low | 43.2 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 66% | 0.663 | 79% | 0.789 | S | S | * | * | | | trans | -73.8 | 108.1 | 178.9 | -57.5 | 0 | 0 | 0 | 0 | 109.6 | I293 R297 | I293-T295 PolarHBondContact O-N 3.48Å; I293-T295 PolarHBondContact O-OG1 2.98Å; T295-R297 VanDerWaalsContact C-N 3.3Å; T295-R297 PolarHBondContact O-N 2.87Å |
| 296 | R | 45.7 | Very low | 42.7 | Very low | 244 Ų | 244 | 140.6 Ų | 140.6 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | trans | -71 | 68.1 | -168.6 | -163.9 | -174.3 | -169.1 | -83.4 | 4.2 | 114.2 | P294 | P294-R296 PolarHBondContact O-N 3.41Å; P294-R296 VanDerWaalsContact O-N 3.17Å |
| 297 | R | 46.6 | Very low | 42.4 | Very low | 223 Ų | 223 | 144.4 Ų | 144.4 | 84% | 0.842 | 79% | 0.793 | S | S | * | * | | | trans | -104.4 | 133.2 | 164.2 | -85.1 | -172.5 | 172.6 | -175.9 | -1.9 | 110.6 | T295 | T295-R297 VanDerWaalsContact C-N 3.3Å; T295-R297 PolarHBondContact O-N 2.87Å |
| 298 | P | 41.9 | Very low | 41.7 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 141.3 | 166.6 | 31.4 | -32.8 | 0 | 0 | 0 | 110.2 | | |
| 299 | P | 42 | Very low | 42 | Very low | 118 Ų | 118 | 147.8 Ų | 147.8 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 144.7 | 170.4 | 30.5 | -33.7 | 0 | 0 | 0 | 110.9 | | |
| 300 | A | 40.3 | Very low | 41.9 | Very low | 101 Ų | 101 | 145.1 Ų | 145.1 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 139.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 301 | V | 44.5 | Very low | 42.5 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 122.7 | -175 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 302 | P | 41.7 | Very low | 43 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 149 | 170.8 | -19.5 | 32.8 | 0 | 0 | 0 | 112.2 | | |
| 303 | R | 48 | Very low | 42.7 | Very low | 246 Ų | 246 | 149 Ų | 149 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | | | trans | -107.9 | 113.2 | 178 | -71 | -172.4 | 178.7 | 98.7 | -7.2 | 112.6 | | |
| 304 | S | 37 | Very low | 42.8 | Very low | 109 Ų | 109 | 146.3 Ų | 146.3 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -162.7 | 121.5 | 157.4 | 48 | 0 | 0 | 0 | 0 | 106.5 | | |
| 305 | L | 40.1 | Very low | 43.5 | Very low | 173 Ų | 173 | 146.2 Ų | 146.2 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | | | cis | 70.3 | 82.4 | 48.2 | -156.6 | 162.3 | 0 | 0 | 0 | 112.8 | | |
| 306 | A | 34.7 | Very low | 43.5 | Very low | 100 Ų | 100 | 148.9 Ų | 148.9 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | | | trans | -158.5 | 153 | 149.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 307 | K | 42.7 | Very low | 43.8 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | | | trans | -144.7 | 119.4 | -177.7 | 172.7 | -177.8 | 174.4 | -178.9 | 0 | 109.6 | | |
| 308 | V | 40 | Very low | 43.8 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 88% | 0.879 | 80% | 0.797 | S | S | * | * | | | trans | -138.6 | 144.1 | 172.3 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | | |
| 309 | F | 45.3 | Very low | 44 | Very low | 166 Ų | 166 | 136 Ų | 136 | 73% | 0.728 | 79% | 0.792 | S | S | * | * | | | trans | -88.8 | 148.1 | 179.3 | -113.1 | -118.7 | 0 | 0 | 0 | 111.2 | | |
| 310 | N | 37.9 | Very low | 44.6 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | | -175.3 | 149.3 | 97.7 | -145.8 | 18.7 | 0 | 0 | 0 | 111.2 | | |
| 311 | P | 60.5 | Low | 45.1 | Very low | 98 Ų | 98 | 145 Ų | 145 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | trans | -114.6 | 113.6 | 179.4 | 35.7 | -22.8 | 0 | 0 | 0 | 113.9 | | |
| 312 | H | 47.3 | Very low | 45.7 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | | | trans | -160.4 | 165.8 | 153.6 | -145.9 | -107.8 | 0 | 0 | 0 | 112.9 | | |
| 313 | I | 42.7 | Very low | 46.9 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | 72.4 | 130.6 | -176.2 | -52.9 | 177.8 | 0 | 0 | 0 | 113.1 | | |
| 314 | G | 38.1 | Very low | 48 | Very low | 61 Ų | 61 | 138.5 Ų | 138.5 | 63% | 0.629 | 79% | 0.79 | S | S | * | * | | | trans | -101.3 | -146 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 315 | P | 55.7 | Low | 49.5 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | | | | -129.3 | 99.2 | -111.8 | 33.5 | -15.7 | 0 | 0 | 0 | 112.7 | | |
| 316 | E | 41.8 | Very low | 51.1 | Low | 164 Ų | 164 | 136.6 Ų | 136.6 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | trans | -128.4 | 133.4 | 178.1 | -81.7 | -60.2 | 164.1 | 0 | 0 | 115.1 | | |
| 317 | S | 51.4 | Low | 52.7 | Low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | trans | 33.4 | 78.5 | 156.3 | 52.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 318 | V | 47.7 | Very low | 53.8 | Low | 147 Ų | 147 | 132.4 Ų | 132.4 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | | | trans | -147.4 | 131.2 | 142.9 | -112.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 319 | G | 44.8 | Very low | 55.3 | Low | 62 Ų | 62 | 131.4 Ų | 131.4 | 64% | 0.639 | 77% | 0.773 | S | S | * | * | | | trans | 69 | 98.5 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | L321 | G319-L321 PolarHBondContact O-N 3.45Š|
| 320 | R | 54.3 | Low | 56.1 | Low | 244 Ų | 244 | 128.3 Ų | 128.3 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | | | trans | -67.3 | 72.9 | 145.6 | -88.5 | -173.5 | 168.9 | -124.8 | 1.7 | 109.2 | L322 | R320-L322 PolarHBondContact O-N 3.47Š|
| 321 | L | 50.9 | Low | 56.9 | Low | 163 Ų | 163 | 132.7 Ų | 132.7 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -64.7 | 103 | 162.9 | -71.6 | 175.5 | 0 | 0 | 0 | 106.9 | G319 A323 | G319-L321 PolarHBondContact O-N 3.45Å; L321-A323 PolarHBondContact O-N 2.86Å |
| 322 | L | 58.3 | Low | 56.4 | Low | 154 Ų | 154 | 131.5 Ų | 131.5 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | | | trans | -57.5 | 110.7 | 172.9 | -65.4 | 171.7 | 0 | 0 | 0 | 107.4 | R320 | R320-L322 PolarHBondContact O-N 3.47Š|
| 323 | A | 66.2 | Low | 56.6 | Low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 136.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | L321 | L321-A323 PolarHBondContact O-N 2.86Š|
| 324 | P | 70.2 | Confident | 56.8 | Low | 114 Ų | 114 | 126.1 Ų | 126.1 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 143.8 | 176.1 | 26.1 | -33.9 | 0 | 0 | 0 | 109.4 | | |
| 325 | P | 69.6 | Low | 57.3 | Low | 115 Ų | 115 | 128.9 Ų | 128.9 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 147.9 | 178.3 | 25.7 | -34.5 | 0 | 0 | 0 | 110.2 | A327 | P325-A327 PolarHBondContact O-N 2.73Š|
| 326 | P | 73 | Confident | 56.9 | Low | 126 Ų | 126 | 131.5 Ų | 131.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 138.8 | 179.8 | 24.4 | -34.1 | 0 | 0 | 0 | 110.3 | | |
| 327 | A | 69.1 | Low | 57.2 | Low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 139.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P325 | P325-A327 PolarHBondContact O-N 2.73Š|
| 328 | P | 65.9 | Low | 57.2 | Low | 113 Ų | 113 | 131.7 Ų | 131.7 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 148.9 | 174.9 | 27.2 | -34.7 | 0 | 0 | 0 | 109.9 | A330 | P328-A330 PolarHBondContact O-N 3.45Š|
| 329 | P | 71.6 | Confident | 57.3 | Low | 124 Ų | 124 | 129.8 Ų | 129.8 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 130.4 | 179.8 | -28 | 35.1 | 0 | 0 | 0 | 111.7 | R331 | P329-R331 PolarHBondContact O-N 2.96Å; P329-R331 VanDerWaalsContact O-N 3.1Å |
| 330 | A | 61.6 | Low | 57.6 | Low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 117.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | P328 S332 | P328-A330 PolarHBondContact O-N 3.45Å; A330-S332 PolarHBondContact O-N 2.86Å |
| 331 | R | 53.5 | Low | 57.4 | Low | 245 Ų | 245 | 133.6 Ų | 133.6 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | | | trans | -57.3 | 114.7 | 170.6 | -85.4 | -177.4 | 160.9 | -164.6 | -6.6 | 108 | P329 | P329-R331 PolarHBondContact O-N 2.96Å; P329-R331 VanDerWaalsContact O-N 3.1Å |
| 332 | S | 50.4 | Low | 58.3 | Low | 74 Ų | 74 | 133.1 Ų | 133.1 | 52% | 0.517 | 77% | 0.772 | S | S | . | * | | | trans | -63.3 | 144.9 | 177 | 53.9 | 0 | 0 | 0 | 0 | 110.1 | A330 T334 | A330-S332 PolarHBondContact O-N 2.86Å; S332-T334 WeakPolarHBondContact CB-OG1 3.45Å; S332-T334 PolarHBondContact O-N 3.41Å; S332-T334 PolarHBondContact OG-OG1 3.44Å |
| 333 | P | 52.3 | Low | 58.9 | Low | 122 Ų | 122 | 130.7 Ų | 130.7 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -76 | 33.4 | 176.8 | 34.5 | -37.3 | 0 | 0 | 0 | 111.9 | | |
| 334 | T | 46.2 | Very low | 59.2 | Low | 111 Ų | 111 | 131.8 Ų | 131.8 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | | | trans | -115 | 37.8 | -167.3 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | S332 | S332-T334 WeakPolarHBondContact CB-OG1 3.45Å; S332-T334 PolarHBondContact O-N 3.41Å; S332-T334 PolarHBondContact OG-OG1 3.44Å |
| 335 | T | 49 | Very low | 59.4 | Low | 119 Ų | 119 | 131.7 Ų | 131.7 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | | | trans | -113.1 | 19.6 | 166.9 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | L337 | T335-L337 PolarHBondContact O-N 2.99Š|
| 336 | E | 47.9 | Very low | 59.9 | Low | 182 Ų | 182 | 131.6 Ų | 131.6 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | | | trans | -67.7 | 89.1 | 157.2 | -61.3 | -143.7 | 140.3 | 0 | 0 | 108.2 | S338 | E336-S338 PolarHBondContact O-N 2.93Å; E336-S338 VanDerWaalsContact O-N 3.15Å |
| 337 | L | 47.7 | Very low | 60.1 | Low | 146 Ų | 146 | 131.1 Ų | 131.1 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | | | trans | -60.1 | 117.6 | 167.2 | -69.5 | 176.5 | 0 | 0 | 0 | 107.4 | T335 T339 | T335-L337 PolarHBondContact O-N 2.99Å; L337-T339 PolarHBondContact O-N 3.09Å; L337-T339 PolarHBondContact O-OG1 3.37Å |
| 338 | S | 51.4 | Low | 60.6 | Low | 128 Ų | 128 | 132.2 Ų | 132.2 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | | | trans | -69.8 | 69.1 | 177.3 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | E336 R340 | E336-S338 PolarHBondContact O-N 2.93Å; E336-S338 VanDerWaalsContact O-N 3.15Å; S338-R340 PolarHBondContact O-N 3.05Å |
| 339 | T | 48.5 | Very low | 61.2 | Low | 107 Ų | 107 | 132.1 Ų | 132.1 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | | | trans | -73 | 105.8 | 169.4 | -53.9 | 0 | 0 | 0 | 0 | 106.3 | L337 I341 | L337-T339 PolarHBondContact O-N 3.09Å; L337-T339 PolarHBondContact O-OG1 3.37Å; T339-I341 WeakPolarHBondContact O-CG1 3.28Å; T339-I341 PolarHBondContact O-N 3.03Å |
| 340 | R | 52.5 | Low | 61.2 | Low | 234 Ų | 234 | 130.8 Ų | 130.8 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | | | trans | -58.5 | 107.4 | 173.5 | -130.4 | -168.8 | -62.7 | -152.4 | 2.2 | 107.9 | S338 L342 | S338-R340 PolarHBondContact O-N 3.05Å; R340-L342 VanDerWaalsContact C-N 3.32Å; R340-L342 PolarHBondContact O-N 3.3Å |
| 341 | I | 50 | Low | 61.7 | Low | 152 Ų | 152 | 131 Ų | 131 | 78% | 0.779 | 74% | 0.744 | S | S | * | * | | | trans | -72.7 | 90.1 | -175 | -53.1 | 179.5 | 0 | 0 | 0 | 108.6 | T339 | T339-I341 WeakPolarHBondContact O-CG1 3.28Å; T339-I341 PolarHBondContact O-N 3.03Å |
| 342 | L | 69.4 | Low | 62.4 | Low | 152 Ų | 152 | 124.5 Ų | 124.5 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -61 | 137.2 | 143.5 | -66.8 | 175.4 | 0 | 0 | 0 | 106.7 | R340 | R340-L342 VanDerWaalsContact C-N 3.32Å; R340-L342 PolarHBondContact O-N 3.3Å |
| 343 | P | 71.1 | Confident | 62.5 | Low | 104 Ų | 104 | 130 Ų | 130 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 144.7 | 171.4 | 26.2 | -33.9 | 0 | 0 | 0 | 108.8 | | |
| 344 | P | 72.3 | Confident | 62.8 | Low | 111 Ų | 111 | 128.3 Ų | 128.3 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 143.2 | 176 | 25.5 | -34.1 | 0 | 0 | 0 | 109.2 | | |
| 345 | P | 75.4 | Confident | 63.2 | Low | 111 Ų | 111 | 130.5 Ų | 130.5 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 148.8 | 174 | 25.9 | -34.3 | 0 | 0 | 0 | 109.3 | | |
| 346 | P | 78.2 | Confident | 63.5 | Low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 144.5 | 174.3 | 25.3 | -34.3 | 0 | 0 | 0 | 109.2 | | |
| 347 | P | 78.3 | Confident | 63.8 | Low | 117 Ų | 117 | 133.8 Ų | 133.8 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 143.7 | 176.5 | 25.3 | -34.2 | 0 | 0 | 0 | 109.1 | | |
| 348 | P | 79.4 | Confident | 64.1 | Low | 111 Ų | 111 | 129.1 Ų | 129.1 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 146.5 | 174.1 | 25.4 | -34.2 | 0 | 0 | 0 | 108.8 | | |
| 349 | P | 77.8 | Confident | 64.3 | Low | 112 Ų | 112 | 128.9 Ų | 128.9 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 140.7 | 175.3 | 24.6 | -33.9 | 0 | 0 | 0 | 108.6 | | |
| 350 | P | 72.3 | Confident | 64.8 | Low | 96 Ų | 96 | 130.3 Ų | 130.3 | 62% | 0.623 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 141.3 | 174.5 | 25.1 | -33.8 | 0 | 0 | 0 | 108.1 | | |
| 351 | P | 72.6 | Confident | 65.2 | Low | 104 Ų | 104 | 126.2 Ų | 126.2 | 68% | 0.675 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 143.3 | 174.4 | 24.8 | -34 | 0 | 0 | 0 | 108.2 | F353 | P351-F353 PolarHBondContact O-N 3.17Š|
| 352 | P | 67 | Low | 65.9 | Low | 109 Ų | 109 | 122.4 Ų | 122.4 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 140.2 | 177.3 | 23.9 | -34.1 | 0 | 0 | 0 | 108.4 | S354 | P352-S354 PolarHBondContact O-N 3.24Å; P352-S354 PolarHBondContact O-OG 2.8Å |
| 353 | F | 54.3 | Low | 65.7 | Low | 190 Ų | 190 | 120.3 Ų | 120.3 | 83% | 0.833 | 69% | 0.689 | S | S | * | * | | | trans | -69.7 | 72.5 | -178.6 | -69.6 | -79.8 | 0 | 0 | 0 | 110.3 | P351 L355 | P351-F353 PolarHBondContact O-N 3.17Å; F353-L355 PolarHBondContact O-N 3.28Å |
| 354 | S | 57.4 | Low | 65.7 | Low | 86 Ų | 86 | 119.6 Ų | 119.6 | 60% | 0.601 | 68% | 0.682 | S | S | * | * | | | trans | -50.9 | 114.2 | 171.8 | -66.3 | 0 | 0 | 0 | 0 | 107.7 | P352 R356 | P352-S354 PolarHBondContact O-N 3.24Å; P352-S354 PolarHBondContact O-OG 2.8Å; S354-R356 PolarHBondContact O-N 2.68Å |
| 355 | L | 55.5 | Low | 65.9 | Low | 157 Ų | 157 | 119.4 Ų | 119.4 | 82% | 0.822 | 68% | 0.675 | S | S | * | * | | | trans | -47.7 | 130.8 | -173.2 | -63.3 | 170.2 | 0 | 0 | 0 | 109.3 | F353 N357 G358 | F353-L355 PolarHBondContact O-N 3.28Å; L355-N357 PolarHBondContact O-N 3.29Å; L355-G358 PolarHBondContact O-N 3.43Å |
| 356 | R | 55.4 | Low | 66.1 | Low | 235 Ų | 235 | 117.9 Ų | 117.9 | 89% | 0.887 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | 24.1 | -150.8 | -151.9 | -166.7 | 70.3 | -166.4 | 1.1 | 116.3 | S354 | S354-R356 PolarHBondContact O-N 2.68Š|
| 357 | N | 52.8 | Low | 66.3 | Low | 134 Ų | 134 | 118.6 Ų | 118.6 | 72% | 0.717 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | -20.1 | -172.8 | -68.5 | 51.9 | 0 | 0 | 0 | 112.9 | L355 | L355-N357 PolarHBondContact O-N 3.29Š|
| 358 | G | 55.2 | Low | 66.3 | Low | 48 Ų | 48 | 118.8 Ų | 118.8 | 50% | 0.495 | 64% | 0.644 | S | S | . | * | S | Bend | trans | -88.3 | -42.8 | -174 | 0 | 0 | 0 | 0 | 0 | 115.7 | L355 L360 H361 | L355-G358 PolarHBondContact O-N 3.43Å; G358-L360 PolarHBondContact O-N 3.41Å; G358-H361 PolarHBondContact O-N 3.3Å |
| 359 | H | 55.1 | Low | 66.3 | Low | 124 Ų | 124 | 117.5 Ų | 117.5 | 57% | 0.574 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.3 | -28.5 | -163.8 | -173.6 | 43.9 | 0 | 0 | 0 | 114.9 | H361 S362 L363 | H359-H361 PolarHBondContact O-N 3.27Å; H359-S362 PolarHBondContact O-N 3.39Å; H359-L363 PolarHBondContact O-N 3.37Å |
| 360 | L | 59.2 | Low | 66.6 | Low | 137 Ų | 137 | 118.2 Ų | 118.2 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -65.9 | -38.3 | -179.8 | -66.2 | 177.9 | 0 | 0 | 0 | 112.5 | G358 L363 V364 | G358-L360 PolarHBondContact O-N 3.41Å; L360-L363 PolarHBondContact O-N 3.49Å; L360-V364 PolarHBondContact O-N 3.46Å |
| 361 | H | 61.4 | Low | 67.1 | Low | 148 Ų | 148 | 119.2 Ų | 119.2 | 69% | 0.685 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.2 | -46.5 | 175.7 | -72.5 | -75.5 | 0 | 0 | 0 | 111 | G358 H359 L363 V364 D365 | G358-H361 PolarHBondContact O-N 3.3Å; H359-H361 PolarHBondContact O-N 3.27Å; H361-L363 PolarHBondContact O-N 3.17Å; H361-V364 PolarHBondContact O-N 3.06Å; H361-V364 VanDerWaalsContact O-N 3.17Å; H361-D365 VanDerWaalsContact O-CB 3.27Å; H361-D365 WeakPolarHBondContact O-CB 3.25Å; H361-D365 PolarHBondContact O-N 2.83Å |
| 362 | S | 64.4 | Low | 67.7 | Low | 72 Ų | 72 | 122.9 Ų | 122.9 | 50% | 0.503 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -60.1 | -26.7 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 114.1 | H359 D366 | H359-S362 PolarHBondContact O-N 3.39Å; S362-D366 WeakPolarHBondContact O-CB 3.41Å; S362-D366 PolarHBondContact O-N 3.3Å |
| 363 | L | 65.1 | Low | 68.6 | Low | 108 Ų | 108 | 123.7 Ų | 123.7 | 57% | 0.565 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -85.6 | -27.9 | 178.6 | -172.5 | 144.1 | 0 | 0 | 0 | 113 | H359 L360 H361 F367 | H359-L363 PolarHBondContact O-N 3.37Å; L360-L363 PolarHBondContact O-N 3.49Å; H361-L363 PolarHBondContact O-N 3.17Å; L363-F367 PolarHBondContact O-N 2.89Å |
| 364 | V | 69.8 | Low | 70.2 | Confident | 88 Ų | 88 | 121.2 Ų | 121.2 | 53% | 0.533 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -71.4 | -47.3 | 168.5 | 176.3 | 0 | 0 | 0 | 0 | 109.6 | L360 H361 D366 F367 E368 | L360-V364 PolarHBondContact O-N 3.46Å; H361-V364 PolarHBondContact O-N 3.06Å; H361-V364 VanDerWaalsContact O-N 3.17Å; V364-D366 PolarHBondContact O-N 2.88Å; V364-F367 WeakPolarHBondContact O-CB 3.46Å; V364-F367 PolarHBondContact O-N 3.18Å; V364-E368 WeakPolarHBondContact O-CB 3.45Å; V364-E368 PolarHBondContact O-N 2.67Å |
| 365 | D | 76.7 | Confident | 71.6 | Confident | 107 Ų | 107 | 120.8 Ų | 120.8 | 57% | 0.572 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.6 | -39.8 | 179.6 | -165.1 | 90.2 | 0 | 0 | 0 | 112.5 | H361 F367 E368 S369 | H361-D365 VanDerWaalsContact O-CB 3.27Å; H361-D365 WeakPolarHBondContact O-CB 3.25Å; H361-D365 PolarHBondContact O-N 2.83Å; D365-F367 VanDerWaalsContact C-N 3.27Å; D365-F367 PolarHBondContact O-N 3.41Å; D365-E368 PolarHBondContact O-N 3.36Å; D365-S369 WeakPolarHBondContact O-CB 3.23Å; D365-S369 PolarHBondContact O-N 3.48Å; D365-S369 PolarHBondContact O-OG 2.74Å |
| 366 | D | 80.3 | Confident | 72.9 | Confident | 80 Ų | 80 | 118.4 Ų | 118.4 | 43% | 0.428 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69 | -19.2 | 173.5 | 178.1 | 74.5 | 0 | 0 | 0 | 113.8 | S362 V364 K370 | S362-D366 WeakPolarHBondContact O-CB 3.41Å; S362-D366 PolarHBondContact O-N 3.3Å; V364-D366 PolarHBondContact O-N 2.88Å; D366-K370 WeakPolarHBondContact O-CD 3.1Å; D366-K370 WeakPolarHBondContact O-CE 3.45Å; D366-K370 VanDerWaalsContact O-CG 3.3Å; D366-K370 WeakPolarHBondContact O-CG 3.34Å; D366-K370 PolarHBondContact O-NZ 3.33Å; D366-K370 WeakPolarHBondContact OD1-CE 3.29Å; D366-K370 IonicContact OD1-NZ 2.69Å; D366-K370 PolarHBondContact OD1-NZ 3.28Å; D366-K370 IonicContact OD2-NZ 2.63Å; D366-K370 PolarHBondContact OD2-NZ 2.89Å |
| 367 | F | 82.4 | Confident | 74.5 | Confident | 127 Ų | 127 | 114.7 Ų | 114.7 | 56% | 0.557 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -86.4 | -45.2 | 170.6 | 179.7 | -95.5 | 0 | 0 | 0 | 111.4 | L363 V364 D365 K370 F371 | L363-F367 PolarHBondContact O-N 2.89Å; V364-F367 WeakPolarHBondContact O-CB 3.46Å; V364-F367 PolarHBondContact O-N 3.18Å; D365-F367 VanDerWaalsContact C-N 3.27Å; D365-F367 PolarHBondContact O-N 3.41Å; F367-K370 PolarHBondContact O-N 2.92Å; F367-F371 HydrophobicContact CE2-CD2 4.38Å; F367-F371 HydrophobicContact CE2-CE2 4.15Å; F367-F371 HydrophobicContact CZ-CD2 4.41Å; F367-F371 HydrophobicContact CZ-CE2 4.49Å |
| 368 | E | 77.8 | Confident | 76.4 | Confident | 122 Ų | 122 | 113.2 Ų | 113.2 | 57% | 0.57 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.4 | -37.7 | -178.3 | -165.8 | 160.5 | -165.2 | 0 | 0 | 111.9 | V364 D365 K370 F371 | V364-E368 WeakPolarHBondContact O-CB 3.45Å; V364-E368 PolarHBondContact O-N 2.67Å; D365-E368 PolarHBondContact O-N 3.36Å; E368-K370 VanDerWaalsContact C-N 3.28Å; E368-K370 PolarHBondContact O-N 3.05Å; E368-F371 CarbonylContact O-C 3.41Å; E368-F371 PolarHBondContact O-N 3.24Å |
| 369 | S | 80.5 | Confident | 78 | Confident | 84 Ų | 84 | 116 Ų | 116 | 59% | 0.587 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | -18 | 174.1 | 58.9 | 0 | 0 | 0 | 0 | 114.8 | D365 | D365-S369 WeakPolarHBondContact O-CB 3.23Å; D365-S369 PolarHBondContact O-N 3.48Å; D365-S369 PolarHBondContact O-OG 2.74Å |
| 370 | K | 83.8 | Confident | 79.7 | Confident | 126 Ų | 126 | 115.2 Ų | 115.2 | 55% | 0.548 | 60% | 0.596 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | -13.3 | 176.2 | -73.4 | 173 | -165.2 | 161.4 | 0 | 113.6 | D366 F367 E368 | D366-K370 WeakPolarHBondContact O-CD 3.1Å; D366-K370 WeakPolarHBondContact O-CE 3.45Å; D366-K370 VanDerWaalsContact O-CG 3.3Å; D366-K370 WeakPolarHBondContact O-CG 3.34Å; D366-K370 PolarHBondContact O-NZ 3.33Å; D366-K370 WeakPolarHBondContact OD1-CE 3.29Å; D366-K370 IonicContact OD1-NZ 2.69Å; D366-K370 PolarHBondContact OD1-NZ 3.28Å; D366-K370 IonicContact OD2-NZ 2.63Å; D366-K370 PolarHBondContact OD2-NZ 2.89Å; F367-K370 PolarHBondContact O-N 2.92Å; E368-K370 VanDerWaalsContact C-N 3.28Å; E368-K370 PolarHBondContact O-N 3.05Å |
| 371 | F | 83 | Confident | 81.2 | Confident | 118 Ų | 118 | 114.3 Ų | 114.3 | 52% | 0.518 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -134.2 | 98 | 178.1 | -66.3 | -79 | 0 | 0 | 0 | 108.8 | F367 E368 F373 | F367-F371 HydrophobicContact CE2-CD2 4.38Å; F367-F371 HydrophobicContact CE2-CE2 4.15Å; F367-F371 HydrophobicContact CZ-CD2 4.41Å; F367-F371 HydrophobicContact CZ-CE2 4.49Å; E368-F371 CarbonylContact O-C 3.41Å; E368-F371 PolarHBondContact O-N 3.24Å; F371-F373 HydrophobicContact CB-CD2 3.98Å; F371-F373 HydrophobicContact CB-CE1 4.48Å; F371-F373 HydrophobicContact CB-CE2 3.42Å; F371-F373 VanDerWaalsContact CB-CE2 3.42Å; F371-F373 HydrophobicContact CB-CZ 3.71Å; F371-F373 HydrophobicContact CG-CE2 4.34Å; F371-F373 HydrophobicContact CG-CZ 4.31Å; F371-F373 WeakPolarHBondContact O-CD2 3.48Å; F371-F373 PolarHBondContact O-N 3.22Å |
| 372 | Q | 85.8 | Confident | 82.6 | Confident | 181 Ų | 181 | 113.3 Ų | 113.3 | 85% | 0.846 | 61% | 0.605 | S | S | * | * | | | trans | -66.3 | 85.5 | 174 | -173.4 | 64.2 | 78.8 | 0 | 0 | 109.9 | | |
| 373 | F | 84.9 | Confident | 83.8 | Confident | 125 Ų | 125 | 117.8 Ų | 117.8 | 55% | 0.548 | 62% | 0.623 | S | S | . | * | P | Polyproline II helix | trans | -70.8 | 146.9 | 170.4 | -66.1 | -73.3 | 0 | 0 | 0 | 109.6 | F371 | F371-F373 HydrophobicContact CB-CD2 3.98Å; F371-F373 HydrophobicContact CB-CE1 4.48Å; F371-F373 HydrophobicContact CB-CE2 3.42Å; F371-F373 VanDerWaalsContact CB-CE2 3.42Å; F371-F373 HydrophobicContact CB-CZ 3.71Å; F371-F373 HydrophobicContact CG-CE2 4.34Å; F371-F373 HydrophobicContact CG-CZ 4.31Å; F371-F373 WeakPolarHBondContact O-CD2 3.48Å; F371-F373 PolarHBondContact O-N 3.22Å |
| 374 | H | 88.3 | Confident | 85.1 | Confident | 138 Ų | 138 | 119.7 Ų | 119.7 | 64% | 0.639 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 142 | 161.4 | -59.4 | 90.1 | 0 | 0 | 0 | 107.8 | D378 | H374-D378 HydrophobicContact CB-CB 4.3Å; H374-D378 IonicContact CD2-OD2 3.32Å; H374-D378 PolarHBondContact CD2-OD2 3.43Å; H374-D378 IonicContact CG-OD2 3.67Å |
| 375 | P | 86.8 | Confident | 86.1 | Confident | 78 Ų | 78 | 122.4 Ų | 122.4 | 51% | 0.506 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -62.8 | 154.7 | 176.4 | 28.6 | -34.4 | 0 | 0 | 0 | 110.2 | E377 D378 | P375-E377 PolarHBondContact O-N 2.69Å; P375-E377 VanDerWaalsContact O-N 3.11Å; P375-D378 HydrophobicContact CG-CB 3.98Å; P375-D378 WeakPolarHBondContact O-CB 3.27Å; P375-D378 PolarHBondContact O-N 3.03Å |
| 376 | V | 82.7 | Confident | 86.7 | Confident | 107 Ų | 107 | 123.5 Ų | 123.5 | 65% | 0.648 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -17.9 | -176.6 | -62.8 | 0 | 0 | 0 | 0 | 112.7 | D378 L379 | V376-D378 VanDerWaalsContact C-N 3.35Å; V376-L379 HydrophobicContact CB-CD1 4.42Å; V376-L379 WeakPolarHBondContact O-CB 3.47Å; V376-L379 PolarHBondContact O-N 2.63Å |
| 377 | E | 88.2 | Confident | 87.2 | Confident | 157 Ų | 157 | 125 Ų | 125 | 73% | 0.734 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -18.7 | 173 | -64.6 | 72.9 | -163.5 | 0 | 0 | 114.1 | P375 | P375-E377 PolarHBondContact O-N 2.69Å; P375-E377 VanDerWaalsContact O-N 3.11Å |
| 378 | D | 92.5 | Very high | 87.5 | Confident | 102 Ų | 102 | 125.6 Ų | 125.6 | 55% | 0.545 | 65% | 0.651 | S | S | . | * | S | Bend | trans | -89.6 | -9.6 | 174.8 | -169.5 | 50.4 | 0 | 0 | 0 | 111.9 | H374 P375 V376 | H374-D378 HydrophobicContact CB-CB 4.3Å; H374-D378 IonicContact CD2-OD2 3.32Å; H374-D378 PolarHBondContact CD2-OD2 3.43Å; H374-D378 IonicContact CG-OD2 3.67Å; P375-D378 HydrophobicContact CG-CB 3.98Å; P375-D378 WeakPolarHBondContact O-CB 3.27Å; P375-D378 PolarHBondContact O-N 3.03Å; V376-D378 VanDerWaalsContact C-N 3.35Å |
| 379 | L | 89.4 | Confident | 88 | Confident | 106 Ų | 106 | 125.1 Ų | 125.1 | 56% | 0.555 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -73.5 | 133.8 | 171.1 | -56.9 | 177.9 | 0 | 0 | 0 | 109.6 | V376 | V376-L379 HydrophobicContact CB-CD1 4.42Å; V376-L379 WeakPolarHBondContact O-CB 3.47Å; V376-L379 PolarHBondContact O-N 2.63Å |
| 380 | P | 91.3 | Very high | 88.3 | Confident | 108 Ų | 108 | 128.9 Ų | 128.9 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 144.6 | 175.7 | 26.2 | -34.2 | 0 | 0 | 0 | 110.4 | | |
| 381 | P | 90.6 | Very high | 88.3 | Confident | 119 Ų | 119 | 128.9 Ų | 128.9 | 77% | 0.773 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 133.5 | 174.7 | -27.8 | 35.3 | 0 | 0 | 0 | 111.3 | D383 | P381-D383 PolarHBondContact O-N 3.33Š|
| 382 | P | 90.3 | Very high | 88.3 | Confident | 127 Ų | 127 | 129.2 Ų | 129.2 | 83% | 0.825 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 138.5 | -179 | -26.5 | 34.6 | 0 | 0 | 0 | 112.5 | E384 | P382-E384 PolarHBondContact O-N 3.17Š|
| 383 | D | 89.9 | Confident | 87.9 | Confident | 166 Ų | 166 | 125.6 Ų | 125.6 | 89% | 0.888 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 132.7 | 177.7 | -78.5 | -48.5 | 0 | 0 | 0 | 112 | P381 F385 | P381-D383 PolarHBondContact O-N 3.33Å; D383-F385 PolarHBondContact O-N 3Å |
| 384 | E | 91.9 | Very high | 87.6 | Confident | 147 Ų | 147 | 124.9 Ų | 124.9 | 69% | 0.687 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 121.8 | 174.9 | -63.5 | 179.3 | 160.6 | 0 | 0 | 110.5 | P382 K386 | P382-E384 PolarHBondContact O-N 3.17Å; E384-K386 WeakPolarHBondContact O-CD 3.2Å; E384-K386 WeakPolarHBondContact O-CE 3.43Å; E384-K386 WeakPolarHBondContact O-CG 3.43Å; E384-K386 PolarHBondContact O-N 3.02Å; E384-K386 IonicContact OE2-NZ 3.84Å; E384-K386 PolarHBondContact OE2-NZ 2.67Å |
| 385 | F | 90.9 | Very high | 86.6 | Confident | 145 Ų | 145 | 126.3 Ų | 126.3 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | | | trans | -56.5 | 105.2 | -179.6 | 174.2 | -103.9 | 0 | 0 | 0 | 111.8 | D383 P387 | D383-F385 PolarHBondContact O-N 3Å; F385-P387 HydrophobicContact CD1-CG 4.34Å; F385-P387 HydrophobicContact CE1-CB 4.21Å; F385-P387 HydrophobicContact CE1-CG 3.9Å; F385-P387 WeakPolarHBondContact O-CD 3.49Å |
| 386 | K | 90.6 | Very high | 85.9 | Confident | 130 Ų | 130 | 128.7 Ų | 128.7 | 57% | 0.565 | 68% | 0.68 | S | S | * | * | | | trans | -88 | 118.9 | 171.7 | -51.9 | -52.5 | 174.5 | -178.6 | 0 | 109 | E384 F388 | E384-K386 WeakPolarHBondContact O-CD 3.2Å; E384-K386 WeakPolarHBondContact O-CE 3.43Å; E384-K386 WeakPolarHBondContact O-CG 3.43Å; E384-K386 PolarHBondContact O-N 3.02Å; E384-K386 IonicContact OE2-NZ 3.84Å; E384-K386 PolarHBondContact OE2-NZ 2.67Å; K386-F388 PolarHBondContact O-N 2.82Å |
| 387 | P | 90.4 | Very high | 85 | Confident | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 69% | 0.689 | S | S | * | * | | | trans | -65.7 | 107.3 | 175.9 | -19.4 | 32.2 | 0 | 0 | 0 | 111 | F385 | F385-P387 HydrophobicContact CD1-CG 4.34Å; F385-P387 HydrophobicContact CE1-CB 4.21Å; F385-P387 HydrophobicContact CE1-CG 3.9Å; F385-P387 WeakPolarHBondContact O-CD 3.49Å |
| 388 | F | 87.8 | Confident | 83.9 | Confident | 139 Ų | 139 | 133.9 Ų | 133.9 | 61% | 0.61 | 69% | 0.693 | S | S | * | * | | | trans | -99.7 | 149.5 | 174.3 | 60.3 | -93.5 | 0 | 0 | 0 | 111.5 | K386 R390 | K386-F388 PolarHBondContact O-N 2.82Å; F388-R390 HydrophobicContact CD2-CG 4.47Å; F388-R390 HydrophobicContact CE2-CG 4.15Å; F388-R390 PolarHBondContact O-N 3.33Å; F388-R390 VanDerWaalsContact O-N 3.13Å |
| 389 | P | 88.2 | Confident | 82.5 | Confident | 112 Ų | 112 | 135.2 Ų | 135.2 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | | | trans | -64.3 | 114.7 | 176.1 | 26.1 | -33.7 | 0 | 0 | 0 | 110.5 | V391 | P389-V391 VanDerWaalsContact C-N 3.32Å; P389-V391 PolarHBondContact O-N 3.5Å |
| 390 | R | 87.8 | Confident | 80.9 | Confident | 163 Ų | 163 | 136.9 Ų | 136.9 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | | | trans | -75.7 | 82.3 | 177.4 | -65.6 | -176.4 | -178 | 164.6 | 0.3 | 110.7 | F388 Y392 | F388-R390 HydrophobicContact CD2-CG 4.47Å; F388-R390 HydrophobicContact CE2-CG 4.15Å; F388-R390 PolarHBondContact O-N 3.33Å; F388-R390 VanDerWaalsContact O-N 3.13Å; R390-Y392 HydrophobicContact CB-CD2 4.29Å; R390-Y392 HydrophobicContact CB-CE2 3.69Å; R390-Y392 VanDerWaalsContact O-CD2 3.23Å; R390-Y392 WeakPolarHBondContact O-CD2 3.16Å; R390-Y392 PolarHBondContact O-N 3.27Å; R390-Y392 VanDerWaalsContact O-N 3.08Å |
| 391 | V | 84.1 | Confident | 79.4 | Confident | 126 Ų | 126 | 136.9 Ų | 136.9 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | | | trans | -74.2 | 93.3 | 171 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | P389 | P389-V391 VanDerWaalsContact C-N 3.32Å; P389-V391 PolarHBondContact O-N 3.5Å |
| 392 | Y | 82.7 | Confident | 78.1 | Confident | 124 Ų | 124 | 140.2 Ų | 140.2 | 49% | 0.486 | 72% | 0.716 | S | S | . | * | | | trans | -73.2 | 134.6 | 168.9 | -63.3 | -85.3 | 0 | 0 | 0 | 109.4 | R390 S394 K395 | R390-Y392 HydrophobicContact CB-CD2 4.29Å; R390-Y392 HydrophobicContact CB-CE2 3.69Å; R390-Y392 VanDerWaalsContact O-CD2 3.23Å; R390-Y392 WeakPolarHBondContact O-CD2 3.16Å; R390-Y392 PolarHBondContact O-N 3.27Å; R390-Y392 VanDerWaalsContact O-N 3.08Å; Y392-S394 PolarHBondContact O-N 3.42Å; Y392-K395 WeakPolarHBondContact O-CA 3.11Å; Y392-K395 WeakPolarHBondContact O-CB 3.11Å; Y392-K395 PolarHBondContact O-N 2.94Å |
| 393 | P | 77.6 | Confident | 76.6 | Confident | 106 Ų | 106 | 139 Ų | 139 | 69% | 0.688 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -56.2 | -33.1 | 175 | -28.3 | 36.1 | 0 | 0 | 0 | 113.2 | K395 E396 | P393-K395 PolarHBondContact O-N 3.45Å; P393-K395 VanDerWaalsContact O-N 3.13Å; P393-E396 WeakPolarHBondContact O-CB 3.3Å; P393-E396 VanDerWaalsContact O-CG 3.28Å; P393-E396 WeakPolarHBondContact O-CG 3.14Å; P393-E396 PolarHBondContact O-N 3.05Å; P393-E396 VanDerWaalsContact O-N 3.08Å |
| 394 | S | 76.8 | Confident | 75 | Confident | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -68.7 | -3.9 | 173.5 | 57.5 | 0 | 0 | 0 | 0 | 115.3 | Y392 | Y392-S394 PolarHBondContact O-N 3.42Š|
| 395 | K | 67.6 | Low | 73.4 | Confident | 167 Ų | 167 | 133.3 Ų | 133.3 | 73% | 0.726 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -104.9 | 5.5 | 172.3 | -72.3 | -65.3 | -165 | 176.4 | 0 | 113 | Y392 P393 N397 | Y392-K395 WeakPolarHBondContact O-CA 3.11Å; Y392-K395 WeakPolarHBondContact O-CB 3.11Å; Y392-K395 PolarHBondContact O-N 2.94Å; P393-K395 PolarHBondContact O-N 3.45Å; P393-K395 VanDerWaalsContact O-N 3.13Å; K395-N397 PolarHBondContact O-N 2.87Å |
| 396 | E | 71.9 | Confident | 71.8 | Confident | 129 Ų | 129 | 134 Ų | 134 | 60% | 0.603 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -57.7 | 134.1 | 163 | 78.4 | -169.5 | 169 | 0 | 0 | 109.1 | P393 R398 | P393-E396 WeakPolarHBondContact O-CB 3.3Å; P393-E396 VanDerWaalsContact O-CG 3.28Å; P393-E396 WeakPolarHBondContact O-CG 3.14Å; P393-E396 PolarHBondContact O-N 3.05Å; P393-E396 VanDerWaalsContact O-N 3.08Å; E396-R398 HydrophobicContact CG-CG 4.45Å; E396-R398 PolarHBondContact O-N 3.37Å |
| 397 | N | 64.9 | Low | 70 | Confident | 155 Ų | 155 | 137.3 Ų | 137.3 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | | | trans | -67.5 | 103.8 | 169 | -79.2 | -33 | 0 | 0 | 0 | 106.9 | K395 V399 | K395-N397 PolarHBondContact O-N 2.87Å; N397-V399 PolarHBondContact O-N 3.1Å |
| 398 | R | 64 | Low | 68.5 | Low | 218 Ų | 218 | 137.9 Ų | 137.9 | 82% | 0.823 | 73% | 0.726 | S | S | * | * | | | trans | -61 | 88.1 | 171.1 | -76.4 | -175.2 | 169 | -171.2 | -3.7 | 109.1 | E396 N400 | E396-R398 HydrophobicContact CG-CG 4.45Å; E396-R398 PolarHBondContact O-N 3.37Å; R398-N400 PolarHBondContact O-N 3.28Å |
| 399 | V | 63.3 | Low | 66.6 | Low | 130 Ų | 130 | 137.8 Ų | 137.8 | 79% | 0.788 | 73% | 0.727 | S | S | * | * | | | trans | -55.9 | 105.2 | 169.7 | 174.8 | 0 | 0 | 0 | 0 | 106.1 | N397 P401 | N397-V399 PolarHBondContact O-N 3.1Å; V399-P401 WeakPolarHBondContact O-CD 3.39Å |
| 400 | N | 56 | Low | 64.9 | Low | 141 Ų | 141 | 140.7 Ų | 140.7 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | | | trans | -60 | 108.9 | -165.3 | -171.5 | -8.2 | 0 | 0 | 0 | 109.2 | R398 K402 | R398-N400 PolarHBondContact O-N 3.28Å; N400-K402 PolarHBondContact O-N 2.73Å |
| 401 | P | 60.7 | Low | 63 | Low | 107 Ų | 107 | 147.5 Ų | 147.5 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | | | trans | -71.9 | 98.7 | -173.6 | 28.6 | -32.1 | 0 | 0 | 0 | 107.8 | V399 P403 | V399-P401 WeakPolarHBondContact O-CD 3.39Å; P401-P403 WeakPolarHBondContact O-CD 3.42Å |
| 402 | K | 62 | Low | 62 | Low | 189 Ų | 189 | 148.6 Ų | 148.6 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | | | trans | -44.6 | 114.3 | 174.5 | -176.5 | 84.6 | 174.9 | -170.7 | 0 | 107.6 | N400 | N400-K402 PolarHBondContact O-N 2.73Š|
| 403 | P | 60.5 | Low | 60.9 | Low | 102 Ų | 102 | 149.9 Ų | 149.9 | 66% | 0.662 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 133.2 | -174.8 | 22.4 | -32.5 | 0 | 0 | 0 | 108.8 | P401 G405 | P401-P403 WeakPolarHBondContact O-CD 3.42Å; P403-G405 PolarHBondContact O-N 3.49Å |
| 404 | P | 54.9 | Low | 60 | Low | 119 Ų | 119 | 152.3 Ų | 152.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 132.1 | -179.6 | 24.3 | -33.1 | 0 | 0 | 0 | 109.2 | I406 | P404-I406 PolarHBondContact O-N 2.77Å; P404-I406 VanDerWaalsContact O-N 3.16Å |
| 405 | G | 58.1 | Low | 59 | Low | 75 Ų | 75 | 154.8 Ų | 154.8 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 119.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P403 R407 | P403-G405 PolarHBondContact O-N 3.49Å; G405-R407 PolarHBondContact O-N 3.15Å |
| 406 | I | 57.8 | Low | 58.4 | Low | 160 Ų | 160 | 154.1 Ų | 154.1 | 82% | 0.821 | 79% | 0.785 | S | S | * | * | | | trans | -69.4 | 96 | -178.5 | -50.2 | 176.9 | 0 | 0 | 0 | 108.4 | P404 T408 | P404-I406 PolarHBondContact O-N 2.77Å; P404-I406 VanDerWaalsContact O-N 3.16Å; I406-T408 PolarHBondContact O-N 2.92Å |
| 407 | R | 53.6 | Low | 57.5 | Low | 198 Ų | 198 | 155.7 Ų | 155.7 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | | | trans | -72.6 | 90.9 | 177.9 | -176.1 | 180 | 174.3 | -151.9 | -0.2 | 109.5 | G405 H409 | G405-R407 PolarHBondContact O-N 3.15Å; R407-H409 VanDerWaalsContact CZ-NE2 3.28Å; R407-H409 PolarHBondContact NE-NE2 3.17Å; R407-H409 PolarHBondContact NH1-NE2 3.22Å; R407-H409 PolarHBondContact O-CD2 3.48Å; R407-H409 PolarHBondContact O-N 2.86Å |
| 408 | T | 57.9 | Low | 57 | Low | 126 Ų | 126 | 155.8 Ų | 155.8 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | | | trans | -62.8 | 104.2 | 175.2 | 50.6 | 0 | 0 | 0 | 0 | 110.5 | I406 L410 | I406-T408 PolarHBondContact O-N 2.92Å; T408-L410 PolarHBondContact O-N 3Å |
| 409 | H | 49 | Very low | 56.5 | Low | 137 Ų | 137 | 151 Ų | 151 | 63% | 0.634 | 79% | 0.792 | S | S | * | * | | | trans | -80.1 | 100.8 | 167.7 | -81.9 | -93.5 | 0 | 0 | 0 | 109.1 | R407 | R407-H409 VanDerWaalsContact CZ-NE2 3.28Å; R407-H409 PolarHBondContact NE-NE2 3.17Å; R407-H409 PolarHBondContact NH1-NE2 3.22Å; R407-H409 PolarHBondContact O-CD2 3.48Å; R407-H409 PolarHBondContact O-N 2.86Å |
| 410 | L | 51.4 | Low | 55.9 | Low | 172 Ų | 172 | 152.8 Ų | 152.8 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | | | trans | -66.3 | 140.4 | 165.5 | -171.1 | 68.7 | 0 | 0 | 0 | 109.2 | T408 | T408-L410 PolarHBondContact O-N 3Š|
| 411 | R | 49.1 | Very low | 55.9 | Low | 307 Ų | 307 | 153.8 Ų | 153.8 | 100% | 1.158 | 80% | 0.796 | S | S | * | * | | | trans | -145.7 | 0 | 170.7 | -174.6 | 175.2 | -171.9 | 172.5 | 5.1 | 109.2 | | |