| 1 | M | 42.4 | Very low | 50 | Low | 228 Ų | 228 | 132.5 Ų | 132.5 | 100% | 1.123 | 80% | 0.801 | S | S | * | * | | | | 0 | 103.6 | 0 | -66.2 | -73.7 | 166.8 | 0 | 0 | 107 | S3 | M1-S3 PolarHBondContact O-N 3.08Š|
| 2 | P | 43 | Very low | 50.4 | Low | 137 Ų | 137 | 126.8 Ų | 126.8 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | trans | -73.8 | 117.4 | 177.2 | 28.6 | -30.8 | 0 | 0 | 0 | 109.8 | V4 | P2-V4 PolarHBondContact O-N 3.02Š|
| 3 | S | 52.8 | Low | 50.6 | Low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -79 | 103.7 | 175.8 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | M1 | M1-S3 PolarHBondContact O-N 3.08Š|
| 4 | V | 51.4 | Low | 50.7 | Low | 135 Ų | 135 | 132.8 Ų | 132.8 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | 8.2 | 115.6 | 153.9 | -94.5 | 0 | 0 | 0 | 0 | 117.2 | P2 S6 | P2-V4 PolarHBondContact O-N 3.02Å; V4-S6 PolarHBondContact O-N 3.14Å |
| 5 | L | 56.9 | Low | 51.1 | Low | 156 Ų | 156 | 134.5 Ų | 134.5 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | -47.6 | 120.4 | 156.6 | -91.4 | 76.8 | 0 | 0 | 0 | 109.3 | S7 | L5-S7 PolarHBondContact O-N 2.89Š|
| 6 | S | 48.2 | Very low | 51.9 | Low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -80.5 | 80.6 | 163.3 | -162.5 | 0 | 0 | 0 | 0 | 108.5 | V4 H8 | V4-S6 PolarHBondContact O-N 3.14Å; S6-H8 PolarHBondContact O-N 3.07Å |
| 7 | S | 50.4 | Low | 52.3 | Low | 86 Ų | 86 | 138.9 Ų | 138.9 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | | | trans | -79.5 | 89.5 | 168.1 | -52.4 | 0 | 0 | 0 | 0 | 107.8 | L5 T9 | L5-S7 PolarHBondContact O-N 2.89Å; S7-T9 PolarHBondContact O-N 2.85Å; S7-T9 VanDerWaalsContact O-N 3.14Å |
| 8 | H | 52.1 | Low | 53.3 | Low | 151 Ų | 151 | 143.2 Ų | 143.2 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | | | trans | -72.1 | 105.5 | 163.1 | 75.3 | -94.6 | 0 | 0 | 0 | 107.1 | S6 V10 | S6-H8 PolarHBondContact O-N 3.07Å; H8-V10 VanDerWaalsContact C-N 3.29Å; H8-V10 PolarHBondContact O-N 3.21Å |
| 9 | T | 48.8 | Very low | 53.7 | Low | 137 Ų | 137 | 140.8 Ų | 140.8 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | | | trans | -74.6 | 89.6 | 167.6 | -63.5 | 0 | 0 | 0 | 0 | 107.3 | S7 | S7-T9 PolarHBondContact O-N 2.85Å; S7-T9 VanDerWaalsContact O-N 3.14Å |
| 10 | V | 50.2 | Low | 54.1 | Low | 95 Ų | 95 | 139.8 Ų | 139.8 | 58% | 0.576 | 79% | 0.785 | S | S | * | * | | | trans | -89.8 | 127.1 | 157.2 | 67.9 | 0 | 0 | 0 | 0 | 107 | H8 G12 | H8-V10 VanDerWaalsContact C-N 3.29Å; H8-V10 PolarHBondContact O-N 3.21Å; V10-G12 PolarHBondContact O-N 3.23Å; V10-G12 VanDerWaalsContact O-N 3.08Å |
| 11 | A | 53.4 | Low | 54.6 | Low | 98 Ų | 98 | 140.7 Ų | 140.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -56.3 | 113.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 12 | G | 54.9 | Low | 55.9 | Low | 64 Ų | 64 | 134.4 Ų | 134.4 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 84.9 | 119 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | V10 | V10-G12 PolarHBondContact O-N 3.23Å; V10-G12 VanDerWaalsContact O-N 3.08Å |
| 13 | Q | 53.3 | Low | 57.6 | Low | 156 Ų | 156 | 133.3 Ų | 133.3 | 73% | 0.729 | 76% | 0.758 | S | S | * | * | | | trans | 79.7 | 91.9 | 171.4 | -57.7 | -179.7 | -2.3 | 0 | 0 | 115.8 | Q15 | Q13-Q15 VanDerWaalsContact C-N 3.29Å; Q13-Q15 PolarHBondContact O-N 3.06Å |
| 14 | H | 52.7 | Low | 58.6 | Low | 182 Ų | 182 | 133 Ų | 133 | 84% | 0.843 | 75% | 0.754 | S | S | * | * | | | trans | -56.7 | 92.5 | 153.4 | -71.1 | 177.3 | 0 | 0 | 0 | 109.3 | I16 | H14-I16 VanDerWaalsContact C-N 3.35Å; H14-I16 PolarHBondContact O-N 3.15Å |
| 15 | Q | 56.1 | Low | 59.9 | Low | 159 Ų | 159 | 132.6 Ų | 132.6 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | -78.3 | 91.4 | 168.8 | -65.3 | -71.3 | 35.2 | 0 | 0 | 108.2 | Q13 F17 | Q13-Q15 VanDerWaalsContact C-N 3.29Å; Q13-Q15 PolarHBondContact O-N 3.06Å; Q15-F17 PolarHBondContact O-N 3.21Å |
| 16 | I | 63.2 | Low | 60.9 | Low | 142 Ų | 142 | 136.1 Ų | 136.1 | 73% | 0.728 | 76% | 0.756 | S | S | * | * | | | trans | -63 | 115.3 | 171.5 | -62.2 | 163.9 | 0 | 0 | 0 | 106.8 | H14 R18 | H14-I16 VanDerWaalsContact C-N 3.35Å; H14-I16 PolarHBondContact O-N 3.15Å; I16-R18 VanDerWaalsContact C-N 3.35Å; I16-R18 PolarHBondContact O-N 3.01Å |
| 17 | F | 59.5 | Low | 62.4 | Low | 201 Ų | 201 | 135.1 Ų | 135.1 | 88% | 0.882 | 75% | 0.747 | S | S | * | * | | | trans | -63.8 | 94.6 | 175.8 | -163.4 | -93.9 | 0 | 0 | 0 | 108.4 | Q15 P19 | Q15-F17 PolarHBondContact O-N 3.21Å; F17-P19 WeakPolarHBondContact O-CD 3.43Å |
| 18 | R | 70.4 | Confident | 63.5 | Low | 216 Ų | 216 | 135.2 Ų | 135.2 | 82% | 0.815 | 75% | 0.746 | S | S | * | * | | | trans | -68.8 | 120.5 | 176.1 | -59.1 | -178 | 89.7 | 170.6 | 5.3 | 106.6 | I16 S20 | I16-R18 VanDerWaalsContact C-N 3.35Å; I16-R18 PolarHBondContact O-N 3.01Å; R18-S20 PolarHBondContact O-N 2.73Å; R18-S20 VanDerWaalsContact O-N 3.15Å |
| 19 | P | 59.9 | Low | 64.6 | Low | 98 Ų | 98 | 131.8 Ų | 131.8 | 64% | 0.636 | 74% | 0.738 | S | S | * | * | | | trans | -56.6 | 127.4 | 169.1 | 24.7 | -31.1 | 0 | 0 | 0 | 106.6 | F17 L21 | F17-P19 WeakPolarHBondContact O-CD 3.43Å; P19-L21 PolarHBondContact O-N 3.24Å |
| 20 | S | 62.3 | Low | 65.7 | Low | 121 Ų | 121 | 128.5 Ų | 128.5 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | | | trans | -61.2 | 88.6 | 177.9 | 174.9 | 0 | 0 | 0 | 0 | 108.5 | R18 S22 | R18-S20 PolarHBondContact O-N 2.73Å; R18-S20 VanDerWaalsContact O-N 3.15Å; S20-S22 PolarHBondContact O-N 3.37Å |
| 21 | L | 64.1 | Low | 66.7 | Low | 158 Ų | 158 | 130.5 Ų | 130.5 | 83% | 0.827 | 73% | 0.732 | S | S | * | * | | | trans | -65 | 101 | 171.1 | -81.9 | 145.1 | 0 | 0 | 0 | 106.2 | P19 | P19-L21 PolarHBondContact O-N 3.24Š|
| 22 | S | 70.3 | Confident | 67.5 | Low | 97 Ų | 97 | 132.3 Ų | 132.3 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 138.4 | 164.9 | 70.4 | 0 | 0 | 0 | 0 | 107.2 | S20 | S20-S22 PolarHBondContact O-N 3.37Š|
| 23 | P | 78 | Confident | 68.3 | Low | 113 Ų | 113 | 133.9 Ų | 133.9 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 144.4 | 178.5 | 24.3 | -32.8 | 0 | 0 | 0 | 110.1 | | |
| 24 | P | 73.6 | Confident | 69.4 | Low | 110 Ų | 110 | 131.8 Ų | 131.8 | 71% | 0.714 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 152.9 | 176.5 | 26.5 | -34.2 | 0 | 0 | 0 | 110.5 | R26 | P24-R26 PolarHBondContact O-N 3.27Š|
| 25 | P | 79.1 | Confident | 70.8 | Confident | 126 Ų | 126 | 128.5 Ų | 128.5 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -57 | 138 | 175.9 | 25.3 | -33.3 | 0 | 0 | 0 | 109.6 | | |
| 26 | R | 78.9 | Confident | 72.1 | Confident | 229 Ų | 229 | 126 Ų | 126 | 86% | 0.864 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 134.2 | -179.5 | -152.8 | 173.3 | -72.7 | -170.2 | -2.1 | 108 | P24 | P24-R26 PolarHBondContact O-N 3.27Š|
| 27 | P | 79.2 | Confident | 73.1 | Confident | 99 Ų | 99 | 123 Ų | 123 | 64% | 0.643 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 154.2 | 175.1 | 25.2 | -33.8 | 0 | 0 | 0 | 110 | S29 | P27-S29 PolarHBondContact O-N 3.41Š|
| 28 | P | 73.6 | Confident | 74.3 | Confident | 88 Ų | 88 | 116.3 Ų | 116.3 | 57% | 0.571 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 133.8 | 170.5 | 23.3 | -32.1 | 0 | 0 | 0 | 108.3 | F32 | P28-F32 HydrophobicContact CB-CD1 4.41Š|
| 29 | S | 75.3 | Confident | 75 | Confident | 78 Ų | 78 | 111.6 Ų | 111.6 | 55% | 0.545 | 64% | 0.642 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 141.7 | -177.9 | -62.2 | 0 | 0 | 0 | 0 | 108.6 | P27 L31 F32 | P27-S29 PolarHBondContact O-N 3.41Å; S29-L31 PolarHBondContact O-N 3.14Å; S29-F32 VanDerWaalsContact O-CB 3.28Å; S29-F32 WeakPolarHBondContact O-CB 3.41Å; S29-F32 PolarHBondContact O-N 2.99Å |
| 30 | A | 70.9 | Confident | 76.1 | Confident | 68 Ų | 68 | 113.2 Ų | 113.2 | 56% | 0.562 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -52.1 | -29.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F32 L33 L34 | A30-F32 VanDerWaalsContact C-N 3.26Å; A30-F32 PolarHBondContact O-N 3.14Å; A30-L33 PolarHBondContact O-N 3.31Å; A30-L33 VanDerWaalsContact O-N 3.14Å; A30-L34 WeakPolarHBondContact O-CD1 3.46Å; A30-L34 PolarHBondContact O-N 2.99Å |
| 31 | L | 71.1 | Confident | 77.1 | Confident | 138 Ų | 138 | 113.1 Ų | 113.1 | 72% | 0.723 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -57.7 | -33.8 | 173.2 | -59.4 | -179.4 | 0 | 0 | 0 | 113.8 | S29 D35 | S29-L31 PolarHBondContact O-N 3.14Å; L31-D35 WeakPolarHBondContact O-CB 3.28Å; L31-D35 PolarHBondContact O-N 3.25Å; L31-D35 VanDerWaalsContact O-N 3.14Å |
| 32 | F | 71.4 | Confident | 78 | Confident | 135 Ų | 135 | 112.8 Ų | 112.8 | 59% | 0.592 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -71.2 | -36 | 177 | -175.1 | -95.6 | 0 | 0 | 0 | 111.8 | P28 S29 A30 D36 | P28-F32 HydrophobicContact CB-CD1 4.41Å; S29-F32 VanDerWaalsContact O-CB 3.28Å; S29-F32 WeakPolarHBondContact O-CB 3.41Å; S29-F32 PolarHBondContact O-N 2.99Å; A30-F32 VanDerWaalsContact C-N 3.26Å; A30-F32 PolarHBondContact O-N 3.14Å; F32-D36 PolarHBondContact O-N 3.28Å |
| 33 | L | 72.1 | Confident | 78.6 | Confident | 98 Ų | 98 | 114.7 Ų | 114.7 | 51% | 0.513 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -74.7 | -33.5 | 177.3 | -62.5 | 175.1 | 0 | 0 | 0 | 112 | A30 L37 | A30-L33 PolarHBondContact O-N 3.31Å; A30-L33 VanDerWaalsContact O-N 3.14Å; L33-L37 WeakPolarHBondContact O-CB 3.19Å; L33-L37 PolarHBondContact O-N 2.8Å; L33-L37 VanDerWaalsContact O-N 3.13Å |
| 34 | L | 76.6 | Confident | 78.8 | Confident | 112 Ų | 112 | 112.8 Ų | 112.8 | 59% | 0.586 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.1 | -34.8 | 175.2 | -93.6 | 73.1 | 0 | 0 | 0 | 112.2 | A30 A38 | A30-L34 WeakPolarHBondContact O-CD1 3.46Å; A30-L34 PolarHBondContact O-N 2.99Å; L34-A38 WeakPolarHBondContact O-CB 3.35Å; L34-A38 PolarHBondContact O-N 3.04Å |
| 35 | D | 81.9 | Confident | 79.1 | Confident | 112 Ų | 112 | 112.6 Ų | 112.6 | 60% | 0.599 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.9 | -45.4 | 177.2 | -164.1 | -116 | 0 | 0 | 0 | 111.2 | L31 L37 A38 Q39 | L31-D35 WeakPolarHBondContact O-CB 3.28Å; L31-D35 PolarHBondContact O-N 3.25Å; L31-D35 VanDerWaalsContact O-N 3.14Å; D35-L37 PolarHBondContact O-N 3.49Å; D35-A38 PolarHBondContact O-N 3.01Å; D35-Q39 WeakPolarHBondContact O-CB 3.19Å; D35-Q39 PolarHBondContact O-N 2.98Å |
| 36 | D | 83.6 | Confident | 78.7 | Confident | 108 Ų | 108 | 113.7 Ų | 113.7 | 58% | 0.578 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -60.8 | -44.9 | 175.8 | -163.1 | 38.4 | 0 | 0 | 0 | 111.7 | F32 Q39 E40 | F32-D36 PolarHBondContact O-N 3.28Å; D36-Q39 PolarHBondContact O-N 3.33Å; D36-E40 PolarHBondContact O-N 3.45Å |
| 37 | L | 84.1 | Confident | 78.2 | Confident | 78 Ų | 78 | 110.9 Ų | 110.9 | 41% | 0.408 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -68.2 | -39.8 | 176.9 | 179.8 | 63.2 | 0 | 0 | 0 | 112.7 | L33 D35 Q39 E40 M41 | L33-L37 WeakPolarHBondContact O-CB 3.19Å; L33-L37 PolarHBondContact O-N 2.8Å; L33-L37 VanDerWaalsContact O-N 3.13Å; D35-L37 PolarHBondContact O-N 3.49Å; L37-Q39 VanDerWaalsContact C-N 3.28Å; L37-Q39 PolarHBondContact O-N 3.13Å; L37-E40 PolarHBondContact O-N 3.1Å; L37-M41 HydrophobicContact CD1-CE 3.73Å; L37-M41 HydrophobicContact CD2-CE 3.99Å; L37-M41 HydrophobicContact CG-CE 3.75Å; L37-M41 WeakPolarHBondContact O-CG 3.48Å; L37-M41 PolarHBondContact O-N 3.24Å |
| 38 | A | 83.8 | Confident | 77.5 | Confident | 61 Ų | 61 | 114 Ų | 114 | 50% | 0.504 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.9 | -36.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L34 D35 M41 E42 | L34-A38 WeakPolarHBondContact O-CB 3.35Å; L34-A38 PolarHBondContact O-N 3.04Å; D35-A38 PolarHBondContact O-N 3.01Å; A38-M41 PolarHBondContact O-N 2.91Å; A38-E42 PolarHBondContact O-N 3.14Å; A38-E42 VanDerWaalsContact O-N 3.14Å |
| 39 | Q | 84.6 | Confident | 76.8 | Confident | 116 Ų | 116 | 117.5 Ų | 117.5 | 54% | 0.542 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -68.6 | -41.4 | 173.8 | -176.2 | 129.1 | -16.8 | 0 | 0 | 111.8 | D35 D36 L37 M41 E42 | D35-Q39 WeakPolarHBondContact O-CB 3.19Å; D35-Q39 PolarHBondContact O-N 2.98Å; D36-Q39 PolarHBondContact O-N 3.33Å; L37-Q39 VanDerWaalsContact C-N 3.28Å; L37-Q39 PolarHBondContact O-N 3.13Å; Q39-M41 PolarHBondContact O-N 3.06Å; Q39-E42 WeakPolarHBondContact O-CB 3.38Å; Q39-E42 PolarHBondContact O-N 3.31Å; Q39-E42 VanDerWaalsContact O-N 3.1Å |
| 40 | E | 83.2 | Confident | 76 | Confident | 133 Ų | 133 | 121.9 Ų | 121.9 | 62% | 0.621 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -57.8 | -38.2 | 173.7 | -169.4 | -166.4 | 109.3 | 0 | 0 | 111.8 | D36 L37 | D36-E40 PolarHBondContact O-N 3.45Å; L37-E40 PolarHBondContact O-N 3.1Å |
| 41 | M | 83.2 | Confident | 75.4 | Confident | 118 Ų | 118 | 127.5 Ų | 127.5 | 58% | 0.581 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76.5 | -19.3 | 177.5 | -66.4 | -169.7 | -167.6 | 0 | 0 | 114.2 | L37 A38 Q39 D43 | L37-M41 HydrophobicContact CD1-CE 3.73Å; L37-M41 HydrophobicContact CD2-CE 3.99Å; L37-M41 HydrophobicContact CG-CE 3.75Å; L37-M41 WeakPolarHBondContact O-CG 3.48Å; L37-M41 PolarHBondContact O-N 3.24Å; A38-M41 PolarHBondContact O-N 2.91Å; Q39-M41 PolarHBondContact O-N 3.06Å; M41-D43 VanDerWaalsContact C-N 3.32Å |
| 42 | E | 83.2 | Confident | 74.7 | Confident | 151 Ų | 151 | 129.6 Ų | 129.6 | 71% | 0.706 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.3 | -29.3 | 175.9 | -174 | 176.1 | -168.9 | 0 | 0 | 111.5 | A38 Q39 V44 | A38-E42 PolarHBondContact O-N 3.14Å; A38-E42 VanDerWaalsContact O-N 3.14Å; Q39-E42 WeakPolarHBondContact O-CB 3.38Å; Q39-E42 PolarHBondContact O-N 3.31Å; Q39-E42 VanDerWaalsContact O-N 3.1Å; E42-V44 VanDerWaalsContact C-N 3.28Å; E42-V44 PolarHBondContact O-N 2.98Å |
| 43 | D | 82.4 | Confident | 73.9 | Confident | 137 Ų | 137 | 132.1 Ų | 132.1 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -2.1 | 178.8 | -69.1 | -38.3 | 0 | 0 | 0 | 113.6 | M41 D45 | M41-D43 VanDerWaalsContact C-N 3.32Å; D43-D45 PolarHBondContact O-N 3.31Å |
| 44 | V | 82.1 | Confident | 72.9 | Confident | 73 Ų | 73 | 137.1 Ų | 137.1 | 44% | 0.442 | 68% | 0.675 | S | S | . | * | | | trans | -86.8 | 103.6 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 110.1 | E42 F46 | E42-V44 VanDerWaalsContact C-N 3.28Å; E42-V44 PolarHBondContact O-N 2.98Å; V44-F46 HydrophobicContact CB-CE2 4.13Å; V44-F46 HydrophobicContact CB-CZ 4.44Å; V44-F46 HydrophobicContact CG1-CD1 4.44Å; V44-F46 HydrophobicContact CG1-CD2 4.05Å; V44-F46 HydrophobicContact CG1-CE1 4.03Å; V44-F46 HydrophobicContact CG1-CE2 3.6Å; V44-F46 HydrophobicContact CG1-CG 4.46Å; V44-F46 HydrophobicContact CG1-CZ 3.6Å |
| 45 | D | 80.4 | Confident | 71.8 | Confident | 106 Ų | 106 | 134.7 Ų | 134.7 | 57% | 0.567 | 68% | 0.677 | S | S | * | * | | | trans | -86.8 | 108.1 | 172.2 | -165.7 | -12.1 | 0 | 0 | 0 | 110.3 | D43 E47 | D43-D45 PolarHBondContact O-N 3.31Å; D45-E47 VanDerWaalsContact C-N 3.29Å; D45-E47 PolarHBondContact OD1-N 3.47Å |
| 46 | F | 71.1 | Confident | 70.5 | Confident | 149 Ų | 149 | 134.7 Ų | 134.7 | 65% | 0.654 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -8.4 | 178.6 | -68.4 | -86.5 | 0 | 0 | 0 | 113.1 | V44 | V44-F46 HydrophobicContact CB-CE2 4.13Å; V44-F46 HydrophobicContact CB-CZ 4.44Å; V44-F46 HydrophobicContact CG1-CD1 4.44Å; V44-F46 HydrophobicContact CG1-CD2 4.05Å; V44-F46 HydrophobicContact CG1-CE1 4.03Å; V44-F46 HydrophobicContact CG1-CE2 3.6Å; V44-F46 HydrophobicContact CG1-CG 4.46Å; V44-F46 HydrophobicContact CG1-CZ 3.6Å |
| 47 | E | 69 | Low | 69.1 | Low | 170 Ų | 170 | 137.6 Ų | 137.6 | 79% | 0.794 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -12.4 | -178.1 | -58.3 | -142.7 | 166 | 0 | 0 | 113.2 | D45 | D45-E47 VanDerWaalsContact C-N 3.29Å; D45-E47 PolarHBondContact OD1-N 3.47Å |
| 48 | E | 63.6 | Low | 67.8 | Low | 165 Ų | 165 | 141.7 Ų | 141.7 | 77% | 0.771 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -83 | -17.4 | 175.8 | -168.1 | 169.7 | -160.9 | 0 | 0 | 112.8 | | |
| 49 | E | 59.8 | Low | 66.5 | Low | 161 Ų | 161 | 141.6 Ų | 141.6 | 75% | 0.752 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -85.4 | -6.5 | -177 | -114.1 | -172.1 | -175.9 | 0 | 0 | 114.6 | E51 | E49-E51 VanDerWaalsContact C-N 3.32Å; E49-E51 PolarHBondContact O-N 3.42Å |
| 50 | E | 58.2 | Low | 65.6 | Low | 170 Ų | 170 | 147.2 Ų | 147.2 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -78.5 | -8.1 | -179 | -73.4 | -167.8 | 172.3 | 0 | 0 | 114.1 | | |
| 51 | E | 57.9 | Low | 64.4 | Low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.874 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -95.1 | -2.6 | -175.1 | -77.9 | -167 | 171.7 | 0 | 0 | 116.1 | E49 | E49-E51 VanDerWaalsContact C-N 3.32Å; E49-E51 PolarHBondContact O-N 3.42Å |
| 52 | E | 57 | Low | 63.4 | Low | 182 Ų | 182 | 149.6 Ų | 149.6 | 85% | 0.85 | 76% | 0.755 | S | S | * | * | | | trans | -114.3 | 13.2 | -179.6 | -64.4 | -154.3 | 172.8 | 0 | 0 | 115.7 | E54 | E52-E54 VanDerWaalsContact C-N 3.29Å; E52-E54 PolarHBondContact O-N 3.43Å; E52-E54 VanDerWaalsContact O-N 3.17Å |
| 53 | E | 55.3 | Low | 62.4 | Low | 188 Ų | 188 | 151 Ų | 151 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | | | trans | -88.7 | 51.9 | 175.3 | -154.1 | -173.1 | -165.5 | 0 | 0 | 112.9 | | |
| 54 | E | 50.9 | Low | 61.3 | Low | 202 Ų | 202 | 149.9 Ų | 149.9 | 94% | 0.944 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -129 | 68.5 | 161.1 | -159.9 | -178.1 | -169.7 | 0 | 0 | 109.9 | E52 | E52-E54 VanDerWaalsContact C-N 3.29Å; E52-E54 PolarHBondContact O-N 3.43Å; E52-E54 VanDerWaalsContact O-N 3.17Å |
| 55 | G | 53 | Low | 60.3 | Low | 61 Ų | 61 | 155.9 Ų | 155.9 | 63% | 0.629 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 141.8 | 40.4 | 163.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 56 | N | 54.5 | Low | 59.4 | Low | 112 Ų | 112 | 159.7 Ų | 159.7 | 60% | 0.599 | 80% | 0.8 | S | S | * | * | | | trans | -128.8 | 67.7 | 170.8 | -168 | 55.1 | 0 | 0 | 0 | 111.5 | E58 | N56-E58 PolarHBondContact O-N 3.43Å; N56-E58 WeakPolarHBondContact OD1-CG 3.01Å; N56-E58 PolarHBondContact OD1-OE1 3.05Å |
| 57 | D | 54.6 | Low | 58.5 | Low | 170 Ų | 170 | 156.2 Ų | 156.2 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 29 | 178.5 | -42.5 | -80.1 | 0 | 0 | 0 | 114 | | |
| 58 | E | 56.7 | Low | 58.3 | Low | 163 Ų | 163 | 154.9 Ų | 154.9 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.4 | 19.8 | -179.5 | 54.8 | -170.2 | 115.9 | 0 | 0 | 113.8 | N56 W60 | N56-E58 PolarHBondContact O-N 3.43Å; N56-E58 WeakPolarHBondContact OD1-CG 3.01Å; N56-E58 PolarHBondContact OD1-OE1 3.05Å; E58-W60 PolarHBondContact O-N 3.5Å |
| 59 | G | 57 | Low | 57.8 | Low | 60 Ų | 60 | 154.2 Ų | 154.2 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -74.9 | 103.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 60 | W | 64.8 | Low | 57.5 | Low | 234 Ų | 234 | 149.9 Ų | 149.9 | 89% | 0.886 | 81% | 0.814 | S | S | * | * | | | trans | 34.1 | 95.8 | 159.5 | -54.3 | 99.2 | 0 | 0 | 0 | 117.8 | E58 L62 | E58-W60 PolarHBondContact O-N 3.5Å; W60-L62 PolarHBondContact O-N 3.13Å |
| 61 | V | 58.5 | Low | 57.9 | Low | 145 Ų | 145 | 147.5 Ų | 147.5 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | | | trans | -65.7 | 101.6 | 162.6 | 177.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 62 | L | 60.7 | Low | 58 | Low | 155 Ų | 155 | 146.6 Ų | 146.6 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | | | trans | -80 | 114.6 | 167.9 | -67.2 | 172.6 | 0 | 0 | 0 | 109 | W60 | W60-L62 PolarHBondContact O-N 3.13Š|
| 63 | E | 63.1 | Low | 58.4 | Low | 180 Ų | 180 | 146.4 Ų | 146.4 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | | | trans | -63.5 | 134.1 | 165.4 | -89.6 | -168.9 | 98.2 | 0 | 0 | 109.7 | Q65 | E63-Q65 PolarHBondContact O-N 3.48Å; E63-Q65 VanDerWaalsContact O-N 3.13Å |
| 64 | P | 60.3 | Low | 58.8 | Low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 80% | 0.802 | S | S | * | * | | | trans | -74.8 | 106.6 | -179.7 | 28.6 | -31.1 | 0 | 0 | 0 | 110.5 | E66 | P64-E66 PolarHBondContact O-N 3.3Å; P64-E66 VanDerWaalsContact O-N 3.12Å |
| 65 | Q | 59.2 | Low | 59.3 | Low | 200 Ų | 200 | 135.8 Ų | 135.8 | 94% | 0.935 | 79% | 0.789 | S | S | * | * | | | trans | -77.6 | 91.7 | 170.2 | -82.6 | -166.2 | -44.4 | 0 | 0 | 111.1 | E63 | E63-Q65 PolarHBondContact O-N 3.48Å; E63-Q65 VanDerWaalsContact O-N 3.13Å |
| 66 | E | 62.7 | Low | 59.9 | Low | 186 Ų | 186 | 139.7 Ų | 139.7 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | | | trans | -81.4 | 110.9 | 159.6 | 55.1 | -175.5 | 105.5 | 0 | 0 | 110.2 | P64 | P64-E66 PolarHBondContact O-N 3.3Å; P64-E66 VanDerWaalsContact O-N 3.12Å |
| 67 | G | 51.4 | Low | 60.6 | Low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | | | trans | 130.9 | 92.8 | 161.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 68 | V | 65.8 | Low | 61.2 | Low | 142 Ų | 142 | 137.3 Ų | 137.3 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | | | trans | -81.2 | 115.8 | 158.4 | 65.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 69 | V | 52.8 | Low | 61.6 | Low | 151 Ų | 151 | 136.8 Ų | 136.8 | 92% | 0.915 | 79% | 0.788 | S | S | * | * | | | trans | -157.4 | 124.5 | 154.9 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 70 | G | 52.5 | Low | 62.1 | Low | 69 Ų | 69 | 140 Ų | 140 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | 122.8 | 100.3 | 140.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 71 | S | 67.6 | Low | 62.1 | Low | 121 Ų | 121 | 134 Ų | 134 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | | | trans | -33.1 | 136.1 | 161 | -51.4 | 0 | 0 | 0 | 0 | 115.7 | | |
| 72 | M | 59.2 | Low | 62.5 | Low | 168 Ų | 168 | 136.1 Ų | 136.1 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | | | | -161.7 | 115 | 124.3 | -160.1 | 78.3 | 79 | 0 | 0 | 109.5 | G74 | M72-G74 PolarHBondContact O-N 3.41Š|
| 73 | E | 66.5 | Low | 63 | Low | 177 Ų | 177 | 132.1 Ų | 132.1 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | | | trans | -41 | 115.5 | 154.3 | 57.7 | -157.2 | 76 | 0 | 0 | 111.5 | | |
| 74 | G | 63.5 | Low | 63.2 | Low | 63 Ų | 63 | 131.1 Ų | 131.1 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | | | trans | -92.7 | 125.8 | 150.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | M72 D76 | M72-G74 PolarHBondContact O-N 3.41Å; G74-D76 PolarHBondContact O-N 3.1Å; G74-D76 VanDerWaalsContact O-N 3.1Å |
| 75 | P | 62.1 | Low | 63.5 | Low | 104 Ų | 104 | 134.1 Ų | 134.1 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | trans | -56.1 | 123 | 167.5 | 24 | -30.1 | 0 | 0 | 0 | 107.1 | D77 | P75-D77 VanDerWaalsContact C-N 3.27Å; P75-D77 PolarHBondContact O-N 2.83Å |
| 76 | D | 64.8 | Low | 64 | Low | 144 Ų | 144 | 129.3 Ų | 129.3 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | -67.8 | 93.8 | 171.4 | -171.6 | -112.7 | 0 | 0 | 0 | 106.7 | G74 S78 | G74-D76 PolarHBondContact O-N 3.1Å; G74-D76 VanDerWaalsContact O-N 3.1Å; D76-S78 PolarHBondContact O-N 2.89Å; D76-S78 WeakPolarHBondContact OD1-CB 3.15Å |
| 77 | D | 68.9 | Low | 64.1 | Low | 138 Ų | 138 | 124.8 Ų | 124.8 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | | | trans | -66.8 | 35.5 | 175.5 | -75.3 | -64.5 | 0 | 0 | 0 | 112.1 | P75 E79 | P75-D77 VanDerWaalsContact C-N 3.27Å; P75-D77 PolarHBondContact O-N 2.83Å; D77-E79 PolarHBondContact O-N 3.24Å; D77-E79 VanDerWaalsContact O-N 3.13Å |
| 78 | S | 66.8 | Low | 64.8 | Low | 93 Ų | 93 | 126.6 Ų | 126.6 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | | | trans | -88.6 | 42.8 | -178.4 | -152.8 | 0 | 0 | 0 | 0 | 111.4 | D76 V80 | D76-S78 PolarHBondContact O-N 2.89Å; D76-S78 WeakPolarHBondContact OD1-CB 3.15Å; S78-V80 PolarHBondContact O-N 2.99Å |
| 79 | E | 64.6 | Low | 64.9 | Low | 152 Ų | 152 | 126.1 Ų | 126.1 | 71% | 0.71 | 76% | 0.756 | S | S | * | * | | | trans | -89.5 | 97.1 | 168 | 57.2 | 178.5 | 97.1 | 0 | 0 | 110.6 | D77 T81 | D77-E79 PolarHBondContact O-N 3.24Å; D77-E79 VanDerWaalsContact O-N 3.13Å; E79-T81 PolarHBondContact O-N 3.43Å |
| 80 | V | 67.8 | Low | 65.5 | Low | 129 Ų | 129 | 127.3 Ų | 127.3 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | | | trans | -85 | 92.9 | 163.1 | 165.9 | 0 | 0 | 0 | 0 | 108.4 | S78 F82 | S78-V80 PolarHBondContact O-N 2.99Å; V80-F82 PolarHBondContact O-N 3.12Å |
| 81 | T | 64.9 | Low | 65.8 | Low | 108 Ų | 108 | 129 Ų | 129 | 66% | 0.663 | 75% | 0.749 | S | S | * | * | | | trans | -73.4 | 109.4 | 167.7 | 56.1 | 0 | 0 | 0 | 0 | 109.2 | E79 A83 | E79-T81 PolarHBondContact O-N 3.43Å; T81-A83 PolarHBondContact O-N 3.13Å |
| 82 | F | 66.9 | Low | 65.3 | Low | 189 Ų | 189 | 133 Ų | 133 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | -59.9 | 107.3 | 172.6 | 24.7 | -92.1 | 0 | 0 | 0 | 109.9 | V80 L84 | V80-F82 PolarHBondContact O-N 3.12Å; F82-L84 PolarHBondContact O-N 3.17Å |
| 83 | A | 71.7 | Confident | 65.6 | Low | 70 Ų | 70 | 131.2 Ų | 131.2 | 58% | 0.579 | 76% | 0.764 | S | S | * | * | | | trans | -66.1 | 118.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | T81 H85 | T81-A83 PolarHBondContact O-N 3.13Å; A83-H85 PolarHBondContact O-N 3.27Å |
| 84 | L | 67.6 | Low | 65.6 | Low | 159 Ų | 159 | 128.8 Ų | 128.8 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | | | trans | -76.8 | 88.9 | 171.5 | -172.3 | 70.1 | 0 | 0 | 0 | 109.3 | F82 S86 | F82-L84 PolarHBondContact O-N 3.17Å; L84-S86 PolarHBondContact O-N 2.99Å |
| 85 | H | 66.9 | Low | 65.7 | Low | 177 Ų | 177 | 132.4 Ų | 132.4 | 82% | 0.819 | 77% | 0.767 | S | S | * | * | | | trans | -75.1 | 84.7 | 172.5 | -68.8 | -80.2 | 0 | 0 | 0 | 110.8 | A83 | A83-H85 PolarHBondContact O-N 3.27Š|
| 86 | S | 69.7 | Low | 65.9 | Low | 99 Ų | 99 | 134.1 Ų | 134.1 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | | | trans | -101.1 | 78.5 | 170 | 55.6 | 0 | 0 | 0 | 0 | 111 | L84 | L84-S86 PolarHBondContact O-N 2.99Š|
| 87 | A | 63.8 | Low | 66 | Low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | | | trans | -175 | 110.4 | 149.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | V89 | A87-V89 PolarHBondContact O-N 3.38Š|
| 88 | S | 66.3 | Low | 65.8 | Low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | | | trans | -60.1 | 121 | 170.3 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | F90 | S88-F90 PolarHBondContact O-N 2.94Š|
| 89 | V | 67.5 | Low | 65.7 | Low | 132 Ų | 132 | 136.1 Ų | 136.1 | 80% | 0.8 | 78% | 0.784 | S | S | * | * | | | trans | -89.1 | 99.4 | 164.2 | -178.8 | 0 | 0 | 0 | 0 | 107.5 | A87 | A87-V89 PolarHBondContact O-N 3.38Š|
| 90 | F | 66.1 | Low | 65.8 | Low | 176 Ų | 176 | 134.8 Ų | 134.8 | 77% | 0.772 | 79% | 0.789 | S | S | * | * | | | trans | -90.1 | 113.9 | 167 | -162.7 | -92.9 | 0 | 0 | 0 | 108.7 | S88 V92 | S88-F90 PolarHBondContact O-N 2.94Å; F90-V92 HydrophobicContact CD1-CG2 4.45Å; F90-V92 HydrophobicContact CE1-CG2 4.23Å |
| 91 | C | 59.2 | Low | 65.6 | Low | 105 Ų | 105 | 135.3 Ų | 135.3 | 71% | 0.709 | 79% | 0.79 | S | S | * | * | | | trans | -72 | 127.7 | 167.1 | -60.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 92 | V | 57.3 | Low | 65.7 | Low | 204 Ų | 204 | 137.8 Ų | 137.8 | 100% | 1.236 | 80% | 0.802 | S | S | * | * | | | trans | -110 | 0 | 157.9 | 130.6 | 0 | 0 | 0 | 0 | 107.9 | F90 | F90-V92 HydrophobicContact CD1-CG2 4.45Å; F90-V92 HydrophobicContact CE1-CG2 4.23Å |