| 1 | M | 48.8 | Very low | 50.7 | Low | 240 Ų | 240 | 129.4 Ų | 129.4 | 100% | 1.182 | 71% | 0.707 | S | S | * | * | | | | 0 | 110.2 | 0 | -68.6 | -58.2 | 168.5 | 0 | 0 | 107.4 | | |
| 2 | C | 45.6 | Very low | 50.5 | Low | 78 Ų | 78 | 131.3 Ų | 131.3 | 53% | 0.527 | 72% | 0.715 | S | S | . | * | | | trans | -73.1 | 128.9 | -152.9 | -84.4 | 0 | 0 | 0 | 0 | 115.3 | V4 S5 | C2-V4 HydrophobicContact CB-CB 4.01Å; C2-V4 PolarHBondContact O-N 3.45Å; C2-S5 VanDerWaalsContact CB-OG 3.31Å; C2-S5 WeakPolarHBondContact CB-OG 3.38Å; C2-S5 PolarHBondContact O-N 3.25Å; C2-S5 VanDerWaalsContact O-N 3.13Å |
| 3 | W | 46.7 | Very low | 50.1 | Low | 245 Ų | 245 | 131.2 Ų | 131.2 | 93% | 0.928 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -59.1 | -29.3 | 153.5 | -103.4 | 48.6 | 0 | 0 | 0 | 112.2 | S5 L6 | W3-S5 PolarHBondContact O-N 2.81Å; W3-L6 PolarHBondContact O-N 3.35Å |
| 4 | V | 57.7 | Low | 49.9 | Very low | 102 Ų | 102 | 130 Ų | 130 | 62% | 0.618 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -59.9 | -29.1 | 173.2 | -173.5 | 0 | 0 | 0 | 0 | 112 | C2 Q8 | C2-V4 HydrophobicContact CB-CB 4.01Å; C2-V4 PolarHBondContact O-N 3.45Å; V4-Q8 PolarHBondContact O-N 3.05Å |
| 5 | S | 54.7 | Low | 49.9 | Very low | 73 Ų | 73 | 133.5 Ų | 133.5 | 51% | 0.51 | 72% | 0.723 | S | S | . | * | H | α-helix | trans | -77.7 | -25.2 | -178.4 | -65.9 | 0 | 0 | 0 | 0 | 113.4 | C2 W3 | C2-S5 VanDerWaalsContact CB-OG 3.31Å; C2-S5 WeakPolarHBondContact CB-OG 3.38Å; C2-S5 PolarHBondContact O-N 3.25Å; C2-S5 VanDerWaalsContact O-N 3.13Å; W3-S5 PolarHBondContact O-N 2.81Å |
| 6 | L | 50.8 | Low | 50.1 | Low | 131 Ų | 131 | 131.5 Ų | 131.5 | 69% | 0.686 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -79.4 | -37.8 | 179.8 | -162.5 | 71.1 | 0 | 0 | 0 | 111.5 | W3 Q8 V9 | W3-L6 PolarHBondContact O-N 3.35Å; L6-Q8 VanDerWaalsContact C-N 3.27Å; L6-Q8 PolarHBondContact O-N 3.27Å; L6-V9 PolarHBondContact O-N 3.01Å |
| 7 | L | 52.3 | Low | 50.3 | Low | 145 Ų | 145 | 136.9 Ų | 136.9 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -67.8 | -29.9 | 177.9 | -153.7 | 73.6 | 0 | 0 | 0 | 112.1 | | |
| 8 | Q | 48.7 | Very low | 50.7 | Low | 152 Ų | 152 | 136.4 Ų | 136.4 | 71% | 0.71 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -75.6 | -24.8 | 179.4 | -160.7 | 140.1 | -48 | 0 | 0 | 113.4 | V4 L6 | V4-Q8 PolarHBondContact O-N 3.05Å; L6-Q8 VanDerWaalsContact C-N 3.27Å; L6-Q8 PolarHBondContact O-N 3.27Å |
| 9 | V | 50 | Low | 51.1 | Low | 115 Ų | 115 | 139.2 Ų | 139.2 | 70% | 0.697 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -79.6 | -30.4 | 177 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | L6 | L6-V9 PolarHBondContact O-N 3.01Å |
| 10 | S | 52.2 | Low | 51.5 | Low | 92 Ų | 92 | 137.7 Ų | 137.7 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -80.9 | -14.2 | 179 | -57.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 11 | G | 49.9 | Very low | 51.8 | Low | 50 Ų | 50 | 139.3 Ų | 139.3 | 52% | 0.515 | 74% | 0.744 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.1 | -6.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 12 | L | 48.8 | Very low | 52.2 | Low | 153 Ų | 153 | 132.9 Ų | 132.9 | 80% | 0.801 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -100.7 | 15.1 | -167.2 | -151.2 | 78.3 | 0 | 0 | 0 | 115.5 | | |
| 13 | T | 45.4 | Very low | 53 | Low | 130 Ų | 130 | 134 Ų | 134 | 80% | 0.798 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -132.9 | 1 | 178.3 | 44.8 | 0 | 0 | 0 | 0 | 116.2 | | |
| 14 | D | 47.1 | Very low | 53.7 | Low | 114 Ų | 114 | 128.4 Ų | 128.4 | 61% | 0.61 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -110.3 | 12.3 | 179 | -129.8 | -72 | 0 | 0 | 0 | 114.2 | | |
| 15 | E | 49.3 | Very low | 53.8 | Low | 183 Ų | 183 | 127.1 Ų | 127.1 | 86% | 0.855 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -97.5 | 19.7 | -176.3 | -137.8 | -166.6 | 176.4 | 0 | 0 | 114.3 | | |
| 16 | A | 53.5 | Low | 54.4 | Low | 101 Ų | 101 | 128.9 Ų | 128.9 | 84% | 0.835 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -130.6 | 9.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 17 | R | 53.8 | Low | 55.2 | Low | 223 Ų | 223 | 130.6 Ų | 130.6 | 84% | 0.842 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -131.7 | -2.1 | -179.6 | -147.3 | 180 | -178.8 | -174.8 | 0.9 | 116.7 | | |
| 18 | I | 57.6 | Low | 56 | Low | 129 Ų | 129 | 125.8 Ų | 125.8 | 66% | 0.662 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -115.5 | 57.4 | -173.9 | -42.4 | 180 | 0 | 0 | 0 | 111.3 | | |
| 19 | M | 58.1 | Low | 56.8 | Low | 188 Ų | 188 | 124 Ų | 124 | 93% | 0.926 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -157.4 | 16.2 | 168.4 | -114.7 | -172.7 | -49 | 0 | 0 | 117.3 | | |
| 20 | S | 58.6 | Low | 57.6 | Low | 110 Ų | 110 | 123.9 Ų | 123.9 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | | | trans | -134.4 | 50.9 | -179.3 | -170.4 | 0 | 0 | 0 | 0 | 113.3 | | |
| 21 | K | 58.7 | Low | 58.4 | Low | 171 Ų | 171 | 123.6 Ų | 123.6 | 74% | 0.743 | 69% | 0.687 | S | S | * | * | | | trans | -123.1 | 110.9 | 148.9 | -69.9 | 107.7 | 177.4 | -172.4 | 0 | 107.2 | V23 | K21-V23 PolarHBondContact O-N 3.04Š|
| 22 | P | 56 | Low | 59.3 | Low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | | | trans | -59.1 | 115 | 163.7 | 24.4 | -29 | 0 | 0 | 0 | 105.8 | T24 | P22-T24 HydrophobicContact CB-CG2 4.49Å; P22-T24 PolarHBondContact O-N 2.83Å |
| 23 | V | 62.3 | Low | 60.9 | Low | 101 Ų | 101 | 125.7 Ų | 125.7 | 61% | 0.612 | 69% | 0.687 | S | S | * | * | | | trans | -65.4 | 91.7 | 170 | 168.5 | 0 | 0 | 0 | 0 | 105.5 | K21 N25 A28 | K21-V23 PolarHBondContact O-N 3.04Å; V23-N25 HydrophobicContact CG1-CB 3.55Å; V23-N25 PolarHBondContact O-N 3.29Å; V23-A28 HydrophobicContact CG1-CB 4.06Å |
| 24 | T | 61.9 | Low | 62.5 | Low | 128 Ų | 128 | 127.4 Ų | 127.4 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | | | trans | -73.2 | 29.7 | 173.5 | 51.9 | 0 | 0 | 0 | 0 | 111.3 | P22 V26 | P22-T24 HydrophobicContact CB-CG2 4.49Å; P22-T24 PolarHBondContact O-N 2.83Å; T24-V26 PolarHBondContact O-N 3.37Å |
| 25 | N | 61.1 | Low | 64 | Low | 76 Ų | 76 | 125.5 Ų | 125.5 | 41% | 0.406 | 68% | 0.68 | S | S | . | * | | | trans | -100.4 | 88 | -175.8 | -161.3 | -27 | 0 | 0 | 0 | 108.3 | V23 K27 A28 L29 | V23-N25 HydrophobicContact CG1-CB 3.55Å; V23-N25 PolarHBondContact O-N 3.29Å; N25-K27 PolarHBondContact O-N 3.48Å; N25-K27 WeakPolarHBondContact OD1-CA 3.25Å; N25-K27 WeakPolarHBondContact OD1-CB 3.2Å; N25-K27 PolarHBondContact OD1-N 3.27Å; N25-K27 VanDerWaalsContact OD1-N 3.09Å; N25-A28 HydrophobicContact CB-CB 3.89Å; N25-A28 WeakPolarHBondContact O-CA 3.4Å; N25-A28 WeakPolarHBondContact O-CB 3.46Å; N25-A28 PolarHBondContact O-N 2.87Å; N25-A28 PolarHBondContact OD1-N 3.32Å; N25-L29 PolarHBondContact O-N 2.87Å |
| 26 | V | 65.6 | Low | 65.5 | Low | 109 Ų | 109 | 121 Ų | 121 | 66% | 0.661 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -46.1 | -33.6 | 170.6 | 176.4 | 0 | 0 | 0 | 0 | 111 | T24 L29 Q30 | T24-V26 PolarHBondContact O-N 3.37Å; V26-L29 PolarHBondContact O-N 3.09Å; V26-Q30 VanDerWaalsContact O-CB 3.26Å; V26-Q30 WeakPolarHBondContact O-CB 3.39Å; V26-Q30 PolarHBondContact O-N 3.5Å |
| 27 | K | 68.6 | Low | 66.7 | Low | 167 Ų | 167 | 124.9 Ų | 124.9 | 73% | 0.726 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -69.9 | -33.4 | 177.4 | -47.9 | 177.6 | 177 | 177.9 | 0 | 113.1 | N25 A31 | N25-K27 PolarHBondContact O-N 3.48Å; N25-K27 WeakPolarHBondContact OD1-CA 3.25Å; N25-K27 WeakPolarHBondContact OD1-CB 3.2Å; N25-K27 PolarHBondContact OD1-N 3.27Å; N25-K27 VanDerWaalsContact OD1-N 3.09Å; K27-A31 WeakPolarHBondContact O-CB 3.26Å; K27-A31 PolarHBondContact O-N 2.86Å; K27-A31 VanDerWaalsContact O-N 3.14Å |
| 28 | A | 68.3 | Low | 68.1 | Low | 44 Ų | 44 | 116 Ų | 116 | 36% | 0.364 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -71.1 | -39.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V23 N25 A31 N32 | V23-A28 HydrophobicContact CG1-CB 4.06Å; N25-A28 HydrophobicContact CB-CB 3.89Å; N25-A28 WeakPolarHBondContact O-CA 3.4Å; N25-A28 WeakPolarHBondContact O-CB 3.46Å; N25-A28 PolarHBondContact O-N 2.87Å; N25-A28 PolarHBondContact OD1-N 3.32Å; A28-A31 PolarHBondContact O-N 3.12Å; A28-N32 PolarHBondContact O-N 3.29Å |
| 29 | L | 65.4 | Low | 69.2 | Low | 114 Ų | 114 | 112.3 Ų | 112.3 | 60% | 0.597 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69.9 | -39.4 | 175.7 | -63.4 | 176.2 | 0 | 0 | 0 | 111.6 | N25 V26 A31 N32 L33 | N25-L29 PolarHBondContact O-N 2.87Å; V26-L29 PolarHBondContact O-N 3.09Å; L29-A31 VanDerWaalsContact C-N 3.26Å; L29-A31 PolarHBondContact O-N 2.97Å; L29-N32 PolarHBondContact O-N 3.04Å; L29-L33 VanDerWaalsContact O-CD1 3.24Å; L29-L33 WeakPolarHBondContact O-CD1 3.14Å |
| 30 | Q | 67.8 | Low | 70.2 | Confident | 113 Ų | 113 | 108 Ų | 108 | 53% | 0.528 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -62.5 | -32.4 | 175.1 | -172.5 | -179.9 | -36 | 0 | 0 | 112.6 | V26 L40 | V26-Q30 VanDerWaalsContact O-CB 3.26Å; V26-Q30 WeakPolarHBondContact O-CB 3.39Å; V26-Q30 PolarHBondContact O-N 3.5Å; Q30-L40 HydrophobicContact CG-CD1 3.72Å; Q30-L40 VanDerWaalsContact NE2-CD1 3.27Å |
| 31 | A | 69.3 | Low | 71.3 | Confident | 86 Ų | 86 | 111.3 Ų | 111.3 | 71% | 0.711 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -84.4 | -18.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | K27 A28 L29 | K27-A31 WeakPolarHBondContact O-CB 3.26Å; K27-A31 PolarHBondContact O-N 2.86Å; K27-A31 VanDerWaalsContact O-N 3.14Å; A28-A31 PolarHBondContact O-N 3.12Å; L29-A31 VanDerWaalsContact C-N 3.26Å; L29-A31 PolarHBondContact O-N 2.97Å |
| 32 | N | 68.9 | Low | 72.2 | Confident | 143 Ų | 143 | 109.9 Ų | 109.9 | 77% | 0.765 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -90.5 | -5.8 | 179.3 | -160.2 | -85.3 | 0 | 0 | 0 | 112.9 | A28 L29 | A28-N32 PolarHBondContact O-N 3.29Å; L29-N32 PolarHBondContact O-N 3.04Å |
| 33 | L | 80.5 | Confident | 73.2 | Confident | 104 Ų | 104 | 107.8 Ų | 107.8 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | S | Bend | trans | -88 | 141.5 | 174.3 | -96.8 | 91 | 0 | 0 | 0 | 111.8 | L29 I35 | L29-L33 VanDerWaalsContact O-CD1 3.24Å; L29-L33 WeakPolarHBondContact O-CD1 3.14Å; L33-I35 HydrophobicContact CB-CD1 3.96Å; L33-I35 HydrophobicContact CB-CG1 3.99Å; L33-I35 HydrophobicContact CD2-CD1 3.44Å; L33-I35 VanDerWaalsContact CD2-CD1 3.44Å; L33-I35 HydrophobicContact CD2-CG1 3.99Å; L33-I35 HydrophobicContact CG-CD1 4.33Å; L33-I35 PolarHBondContact O-N 3.19Å |
| 34 | N | 80.6 | Confident | 73.9 | Confident | 166 Ų | 166 | 105 Ų | 105 | 89% | 0.888 | 61% | 0.606 | S | S | * | * | | | trans | -76.4 | 66.1 | 168.2 | -170.1 | -17.2 | 0 | 0 | 0 | 110.4 | | |
| 35 | I | 78.6 | Confident | 74.3 | Confident | 75 Ų | 75 | 103 Ų | 103 | 39% | 0.385 | 61% | 0.611 | S | S | . | * | | | trans | -109.5 | 123.2 | 174.9 | -69 | 173.6 | 0 | 0 | 0 | 107.9 | L33 A39 L40 | L33-I35 HydrophobicContact CB-CD1 3.96Å; L33-I35 HydrophobicContact CB-CG1 3.99Å; L33-I35 HydrophobicContact CD2-CD1 3.44Å; L33-I35 VanDerWaalsContact CD2-CD1 3.44Å; L33-I35 HydrophobicContact CD2-CG1 3.99Å; L33-I35 HydrophobicContact CG-CD1 4.33Å; L33-I35 PolarHBondContact O-N 3.19Å; I35-A39 HydrophobicContact CG2-CB 3.57Å; I35-L40 HydrophobicContact CG2-CD2 4.34Å; I35-L40 HydrophobicContact CG2-CG 4.19Å |
| 36 | P | 79.4 | Confident | 75.1 | Confident | 89 Ų | 89 | 105.4 Ų | 105.4 | 58% | 0.578 | 62% | 0.623 | S | S | * | * | | | trans | -62.9 | 144.4 | 179.6 | 25.9 | -33.6 | 0 | 0 | 0 | 110.8 | G38 A39 | P36-G38 PolarHBondContact O-N 3.44Å; P36-A39 HydrophobicContact CG-CB 4.04Å; P36-A39 WeakPolarHBondContact O-CB 3.24Å; P36-A39 PolarHBondContact O-N 2.74Å |
| 37 | M | 80.3 | Confident | 75.6 | Confident | 182 Ų | 182 | 105.2 Ų | 105.2 | 90% | 0.897 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.8 | -23.4 | -178.2 | -65 | -176.9 | -63.1 | 0 | 0 | 114.2 | | |
| 38 | G | 82.1 | Confident | 75.6 | Confident | 37 Ų | 37 | 103.7 Ų | 103.7 | 38% | 0.381 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -22.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P36 L40 R41 A44 | P36-G38 PolarHBondContact O-N 3.44Å; G38-L40 VanDerWaalsContact C-N 3.35Å; G38-L40 PolarHBondContact O-N 3.1Å; G38-R41 WeakPolarHBondContact O-CB 3.4Å; G38-R41 PolarHBondContact O-N 2.89Å; G38-A44 VanDerWaalsContact O-CB 3.25Å; G38-A44 WeakPolarHBondContact O-CB 3.46Å |
| 39 | A | 80.8 | Confident | 75.4 | Confident | 50 Ų | 50 | 112.4 Ų | 112.4 | 41% | 0.413 | 65% | 0.651 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -78.5 | -18.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I35 P36 A44 | I35-A39 HydrophobicContact CG2-CB 3.57Å; P36-A39 HydrophobicContact CG-CB 4.04Å; P36-A39 WeakPolarHBondContact O-CB 3.24Å; P36-A39 PolarHBondContact O-N 2.74Å; A39-A44 WeakPolarHBondContact O-CB 3.49Å |
| 40 | L | 78.6 | Confident | 75.1 | Confident | 97 Ų | 97 | 117.6 Ų | 117.6 | 51% | 0.508 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.6 | 3 | 173.5 | -57.3 | -178.6 | 0 | 0 | 0 | 112.6 | Q30 I35 G38 | Q30-L40 HydrophobicContact CG-CD1 3.72Å; Q30-L40 VanDerWaalsContact NE2-CD1 3.27Å; I35-L40 HydrophobicContact CG2-CD2 4.34Å; I35-L40 HydrophobicContact CG2-CG 4.19Å; G38-L40 VanDerWaalsContact C-N 3.35Å; G38-L40 PolarHBondContact O-N 3.1Å |
| 41 | R | 82.9 | Confident | 74.7 | Confident | 181 Ų | 181 | 123.4 Ų | 123.4 | 68% | 0.683 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -62.3 | 132.5 | 173 | -71.7 | -176.9 | 172.5 | -128.3 | -0.8 | 108 | G38 G43 A44 | G38-R41 WeakPolarHBondContact O-CB 3.4Å; G38-R41 PolarHBondContact O-N 2.89Å; R41-G43 PolarHBondContact O-N 3.42Å; R41-G43 VanDerWaalsContact O-N 3.12Å; R41-A44 HydrophobicContact CB-CB 4.37Å; R41-A44 WeakPolarHBondContact O-CB 3.48Å; R41-A44 PolarHBondContact O-N 2.94Å |
| 42 | P | 77.6 | Confident | 73.9 | Confident | 140 Ų | 140 | 128.1 Ų | 128.1 | 91% | 0.909 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.5 | 123.7 | 171.7 | -26.7 | 34.7 | 0 | 0 | 0 | 109.9 | | |
| 43 | G | 76.4 | Confident | 73 | Confident | 61 Ų | 61 | 129.2 Ų | 129.2 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.6 | -7.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | R41 L46 | R41-G43 PolarHBondContact O-N 3.42Å; R41-G43 VanDerWaalsContact O-N 3.12Å; G43-L46 PolarHBondContact O-N 3.32Å |
| 44 | A | 76.7 | Confident | 71.3 | Confident | 44 Ų | 44 | 130.2 Ų | 130.2 | 36% | 0.364 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | 134.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111 | G38 A39 R41 L46 | G38-A44 VanDerWaalsContact O-CB 3.25Å; G38-A44 WeakPolarHBondContact O-CB 3.46Å; A39-A44 WeakPolarHBondContact O-CB 3.49Å; R41-A44 HydrophobicContact CB-CB 4.37Å; R41-A44 WeakPolarHBondContact O-CB 3.48Å; R41-A44 PolarHBondContact O-N 2.94Å; A44-L46 PolarHBondContact O-N 3.21Å |
| 45 | G | 70.4 | Confident | 69.3 | Low | 86 Ų | 86 | 128.3 Ų | 128.3 | 89% | 0.887 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.4 | 0.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 46 | L | 78.8 | Confident | 67.6 | Low | 126 Ų | 126 | 132 Ų | 132 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | | | trans | -70.2 | 128 | 169.1 | -155.2 | 70.3 | 0 | 0 | 0 | 107.8 | G43 A44 V48 | G43-L46 PolarHBondContact O-N 3.32Å; A44-L46 PolarHBondContact O-N 3.21Å; L46-V48 PolarHBondContact O-N 3.36Å; L46-V48 VanDerWaalsContact O-N 3.09Å |
| 47 | P | 74.6 | Confident | 65.7 | Low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 72% | 0.718 | S | S | * | * | | | trans | -54.5 | 124.2 | 177.2 | 20.5 | -30.9 | 0 | 0 | 0 | 108.4 | R49 | P47-R49 VanDerWaalsContact C-N 3.32Å; P47-R49 PolarHBondContact O-N 3.41Å |
| 48 | V | 69.1 | Low | 64 | Low | 134 Ų | 134 | 132.1 Ų | 132.1 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | | | trans | -56.7 | 104.8 | 169.1 | 174.1 | 0 | 0 | 0 | 0 | 104.9 | L46 R50 | L46-V48 PolarHBondContact O-N 3.36Å; L46-V48 VanDerWaalsContact O-N 3.09Å; V48-R50 PolarHBondContact O-N 3.14Å |
| 49 | R | 64.4 | Low | 62.4 | Low | 227 Ų | 227 | 138 Ų | 138 | 86% | 0.857 | 73% | 0.729 | S | S | * | * | | | trans | -52.4 | 119 | 167.7 | -68.1 | -172.6 | 177.9 | 142.9 | -0.6 | 104.6 | P47 R51 | P47-R49 VanDerWaalsContact C-N 3.32Å; P47-R49 PolarHBondContact O-N 3.41Å; R49-R51 PolarHBondContact O-N 2.94Å |
| 50 | R | 59.5 | Low | 60.8 | Low | 224 Ų | 224 | 139.2 Ų | 139.2 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | | | trans | -53.1 | 123.6 | 179.3 | -67.4 | -178 | 87.3 | 87.4 | -4.8 | 105.4 | V48 E52 | V48-R50 PolarHBondContact O-N 3.14Å; R50-E52 VanDerWaalsContact C-N 3.29Å; R50-E52 PolarHBondContact O-N 3.36Å |
| 51 | R | 58.7 | Low | 59 | Low | 235 Ų | 235 | 143.4 Ų | 143.4 | 89% | 0.887 | 76% | 0.755 | S | S | * | * | | | trans | -58.2 | 93.1 | -178.6 | -176.4 | -173.6 | -172.1 | -154.2 | 2.2 | 108.3 | R49 E53 | R49-R51 PolarHBondContact O-N 2.94Å; R51-E53 PolarHBondContact O-N 2.84Å |
| 52 | E | 53.7 | Low | 57.1 | Low | 184 Ų | 184 | 140.1 Ų | 140.1 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | | | trans | -73.3 | 107.1 | 151.2 | -71.9 | 154.6 | -157 | 0 | 0 | 104.5 | R50 T54 | R50-E52 VanDerWaalsContact C-N 3.29Å; R50-E52 PolarHBondContact O-N 3.36Å; E52-T54 PolarHBondContact O-N 3.03Å |
| 53 | E | 48.3 | Very low | 55.7 | Low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | | | trans | -43.3 | 116 | 171.1 | 177.3 | 177.1 | -164.3 | 0 | 0 | 111.4 | R51 | R51-E53 PolarHBondContact O-N 2.84Š|
| 54 | T | 44.8 | Very low | 54.3 | Low | 125 Ų | 125 | 145.1 Ų | 145.1 | 77% | 0.767 | 76% | 0.763 | S | S | * | * | | | trans | -179.1 | 123.4 | 134.9 | 24 | 0 | 0 | 0 | 0 | 111 | E52 | E52-T54 PolarHBondContact O-N 3.03Š|
| 55 | V | 39.4 | Very low | 53.1 | Low | 125 Ų | 125 | 150 Ų | 150 | 76% | 0.758 | 78% | 0.782 | S | S | * | * | | | trans | 61.2 | 108.7 | 141.2 | -178.7 | 0 | 0 | 0 | 0 | 118.8 | T57 | V55-T57 PolarHBondContact O-N 3.09Š|
| 56 | D | 43.4 | Very low | 52.3 | Low | 154 Ų | 154 | 151.8 Ų | 151.8 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -42 | 120.2 | 147.2 | 176.7 | 57 | 0 | 0 | 0 | 111.7 | | |
| 57 | T | 38.4 | Very low | 51.1 | Low | 109 Ų | 109 | 154.9 Ų | 154.9 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | | | trans | -176.4 | 120.9 | 149.3 | -72 | 0 | 0 | 0 | 0 | 108.4 | V55 | V55-T57 PolarHBondContact O-N 3.09Š|
| 58 | E | 45.2 | Very low | 50.2 | Low | 164 Ų | 164 | 160.6 Ų | 160.6 | 77% | 0.766 | 80% | 0.799 | S | S | * | * | | | trans | 39.9 | 131.8 | 135.9 | -145.5 | -152.9 | 132.3 | 0 | 0 | 121.1 | | |
| 59 | E | 48.9 | Very low | 49.3 | Very low | 161 Ų | 161 | 159.6 Ų | 159.6 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 21 | 140 | 141.8 | -138.8 | -87.5 | 129.2 | 0 | 0 | 121.3 | | |
| 60 | A | 46.8 | Very low | 48.6 | Very low | 74 Ų | 74 | 154.8 Ų | 154.8 | 61% | 0.612 | 79% | 0.794 | S | S | * | * | | | trans | 68.6 | 95 | 165.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 61 | Q | 40.8 | Very low | 48.1 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | | | | -176.2 | 139.2 | 122.6 | -138.9 | 160.5 | 16 | 0 | 0 | 111.8 | | |
| 62 | P | 43.1 | Very low | 48 | Very low | 112 Ų | 112 | 145.4 Ų | 145.4 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -74 | 134.3 | 167.4 | 29.6 | -30.4 | 0 | 0 | 0 | 109.9 | E64 | P62-E64 PolarHBondContact O-N 3.47Š|
| 63 | P | 48.1 | Very low | 48.2 | Very low | 117 Ų | 117 | 145 Ų | 145 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 122 | 177.8 | 25.7 | -30.5 | 0 | 0 | 0 | 110.4 | L65 | P63-L65 PolarHBondContact O-N 3.45Š|
| 64 | E | 46.5 | Very low | 48.2 | Very low | 189 Ų | 189 | 143 Ų | 143 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 118.7 | 170.5 | -167.8 | 169 | -177 | 0 | 0 | 109.6 | P62 | P62-E64 PolarHBondContact O-N 3.47Š|
| 65 | L | 51.7 | Low | 48.7 | Very low | 147 Ų | 147 | 146 Ų | 146 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 129 | -179.2 | -62 | 177.8 | 0 | 0 | 0 | 109.7 | P63 M67 | P63-L65 PolarHBondContact O-N 3.45Å; L65-M67 PolarHBondContact O-N 3.2Å |
| 66 | P | 54.4 | Low | 49.7 | Very low | 124 Ų | 124 | 147 Ų | 147 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | trans | -68.7 | 108.3 | 162.7 | 9.1 | -0 | 0 | 0 | 0 | 108.4 | R68 | P66-R68 PolarHBondContact O-N 2.81Š|
| 67 | M | 54.3 | Low | 50.3 | Low | 191 Ų | 191 | 145 Ų | 145 | 94% | 0.941 | 77% | 0.77 | S | S | * | * | | | trans | -62.6 | 96.9 | 167.5 | -74.7 | -163.1 | 60.3 | 0 | 0 | 109.9 | L65 | L65-M67 PolarHBondContact O-N 3.2Š|
| 68 | R | 54.9 | Low | 51.5 | Low | 225 Ų | 225 | 147.7 Ų | 147.7 | 85% | 0.849 | 78% | 0.779 | S | S | * | * | | | trans | -130.3 | 121.5 | 160.7 | -162.5 | 170.5 | -167.9 | 160.6 | 3.2 | 108.9 | P66 | P66-R68 PolarHBondContact O-N 2.81Š|
| 69 | P | 49.4 | Very low | 52.6 | Low | 113 Ų | 113 | 147.6 Ų | 147.6 | 73% | 0.734 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132 | 174.9 | 26.3 | -31 | 0 | 0 | 0 | 108.6 | S71 | P69-S71 PolarHBondContact O-N 3.24Š|
| 70 | P | 50.7 | Low | 53.5 | Low | 125 Ų | 125 | 149.5 Ų | 149.5 | 81% | 0.812 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 119.2 | 173.7 | 25.1 | -30.4 | 0 | 0 | 0 | 108.8 | L72 | P70-L72 PolarHBondContact O-N 3.28Š|
| 71 | S | 48 | Very low | 54.6 | Low | 103 Ų | 103 | 153.1 Ų | 153.1 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 129.5 | 171.4 | 52.6 | 0 | 0 | 0 | 0 | 110.1 | P69 E73 | P69-S71 PolarHBondContact O-N 3.24Å; S71-E73 PolarHBondContact O-N 3.4Å |
| 72 | L | 56.9 | Low | 56 | Low | 160 Ų | 160 | 150.9 Ų | 150.9 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 29.2 | -170.3 | -100.1 | 163.2 | 0 | 0 | 0 | 115.6 | P70 | P70-L72 PolarHBondContact O-N 3.28Š|
| 73 | E | 57.3 | Low | 57.5 | Low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.3 | 5.6 | -166.7 | -59.9 | -160.8 | 153.8 | 0 | 0 | 116 | S71 | S71-E73 PolarHBondContact O-N 3.4Š|
| 74 | D | 49.4 | Very low | 58.9 | Low | 125 Ų | 125 | 148.4 Ų | 148.4 | 67% | 0.668 | 79% | 0.788 | S | S | * | * | | | trans | -106.2 | 72.3 | 170.3 | -89.6 | -10.9 | 0 | 0 | 0 | 110.6 | K76 | D74-K76 HydrophobicContact CB-CD 4.09Å; D74-K76 PolarHBondContact O-N 3.32Å; D74-K76 IonicContact OD2-NZ 2.74Å; D74-K76 PolarHBondContact OD2-NZ 3.37Å |
| 75 | K | 54.3 | Low | 60.2 | Low | 189 Ų | 189 | 144.4 Ų | 144.4 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -72.6 | 72.6 | 166 | -68.4 | -170.3 | 179.6 | 165.4 | 0 | 109.4 | | |
| 76 | K | 61.5 | Low | 61.1 | Low | 146 Ų | 146 | 142.2 Ų | 142.2 | 64% | 0.635 | 78% | 0.78 | S | S | * | * | | | trans | -51.9 | 130.4 | 157.4 | -87.6 | 79.2 | -178.4 | -171.5 | 0 | 106.2 | D74 L78 | D74-K76 HydrophobicContact CB-CD 4.09Å; D74-K76 PolarHBondContact O-N 3.32Å; D74-K76 IonicContact OD2-NZ 2.74Å; D74-K76 PolarHBondContact OD2-NZ 3.37Å; K76-L78 PolarHBondContact O-N 3.43Å |
| 77 | P | 56.3 | Low | 62.2 | Low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | | | trans | -57.6 | 113.3 | 177.3 | 23.8 | -31.9 | 0 | 0 | 0 | 106.8 | Q79 | P77-Q79 PolarHBondContact O-N 3.3Š|
| 78 | L | 64.1 | Low | 63 | Low | 165 Ų | 165 | 137.2 Ų | 137.2 | 86% | 0.864 | 75% | 0.749 | S | S | * | * | | | trans | -64.3 | 92.3 | 177.5 | -171.9 | 70.3 | 0 | 0 | 0 | 105.8 | K76 K80 | K76-L78 PolarHBondContact O-N 3.43Å; L78-K80 PolarHBondContact O-N 3.42Å |
| 79 | Q | 66.9 | Low | 63.9 | Low | 163 Ų | 163 | 130.3 Ų | 130.3 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | | | trans | -55.8 | 119 | 174 | -65.2 | -173.4 | 27.3 | 0 | 0 | 105.8 | P77 L81 | P77-Q79 PolarHBondContact O-N 3.3Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 2.76Å |
| 80 | K | 68.9 | Low | 65 | Low | 201 Ų | 201 | 130.6 Ų | 130.6 | 87% | 0.874 | 73% | 0.727 | S | S | * | * | | | trans | -65.4 | 99.4 | -178.2 | -64.3 | -179.9 | -176.1 | -179.3 | 0 | 106.9 | L78 | L78-K80 PolarHBondContact O-N 3.42Š|
| 81 | L | 69.1 | Low | 65.8 | Low | 150 Ų | 150 | 129.2 Ų | 129.2 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | | | trans | -61.3 | 133.1 | 172 | -66.9 | 174.4 | 0 | 0 | 0 | 107.3 | Q79 G83 | Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 2.76Å; L81-G83 PolarHBondContact O-N 2.89Å |
| 82 | P | 69.3 | Low | 66.7 | Low | 137 Ų | 137 | 131.3 Ų | 131.3 | 89% | 0.89 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -60.7 | 108.3 | 173.1 | 23.1 | -29.8 | 0 | 0 | 0 | 108.2 | | |
| 83 | G | 74.8 | Confident | 67 | Low | 54 Ų | 54 | 129.7 Ų | 129.7 | 56% | 0.557 | 70% | 0.703 | S | S | * | * | S | Bend | trans | 172.5 | 158.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L81 A85 | L81-G83 PolarHBondContact O-N 2.89Å; G83-A85 PolarHBondContact O-N 2.84Å |
| 84 | P | 77.7 | Confident | 67.1 | Low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | | | trans | -55.2 | 134.8 | 173.4 | -21.1 | 32.1 | 0 | 0 | 0 | 109.8 | V86 | P84-V86 PolarHBondContact O-N 3.06Š|
| 85 | A | 75.1 | Confident | 67.6 | Low | 105 Ų | 105 | 130.2 Ų | 130.2 | 87% | 0.868 | 70% | 0.697 | S | S | * | * | | | trans | -62.6 | 106.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | G83 N87 | G83-A85 PolarHBondContact O-N 2.84Å; A85-N87 PolarHBondContact O-N 2.93Å |
| 86 | V | 70.6 | Confident | 68 | Low | 102 Ų | 102 | 125.7 Ų | 125.7 | 62% | 0.618 | 69% | 0.689 | S | S | * | * | | | trans | -79.6 | 111 | 178.2 | 176.5 | 0 | 0 | 0 | 0 | 108 | P84 L88 L91 | P84-V86 PolarHBondContact O-N 3.06Å; V86-L88 PolarHBondContact O-N 2.94Å; V86-L91 HydrophobicContact CG1-CD1 3.34Å; V86-L91 HydrophobicContact CG1-CG 4.31Å |
| 87 | N | 77.3 | Confident | 68.1 | Low | 78 Ų | 78 | 126.5 Ų | 126.5 | 42% | 0.417 | 70% | 0.695 | S | S | . | * | | | trans | -75.3 | 118.5 | 174.5 | -170.2 | -61.4 | 0 | 0 | 0 | 109.6 | A85 S89 E90 | A85-N87 PolarHBondContact O-N 2.93Å; N87-S89 VanDerWaalsContact C-N 3.25Å; N87-S89 PolarHBondContact O-N 3.3Å; N87-S89 WeakPolarHBondContact OD1-CA 3.29Å; N87-S89 WeakPolarHBondContact OD1-CB 3.21Å; N87-S89 PolarHBondContact OD1-N 3.42Å; N87-E90 HydrophobicContact CB-CB 4.35Å; N87-E90 HydrophobicContact CB-CG 3.87Å; N87-E90 VanDerWaalsContact CB-OE1 3.29Å; N87-E90 WeakPolarHBondContact CB-OE1 3.49Å; N87-E90 WeakPolarHBondContact O-CB 3.31Å; N87-E90 PolarHBondContact O-N 2.91Å; N87-E90 PolarHBondContact OD1-N 3.47Å |
| 88 | L | 71.4 | Confident | 68.4 | Low | 131 Ų | 131 | 127.7 Ų | 127.7 | 69% | 0.686 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -66.6 | -26.6 | -176.7 | -60.6 | 176.5 | 0 | 0 | 0 | 112.8 | V86 E90 L91 Q92 | V86-L88 PolarHBondContact O-N 2.94Å; L88-E90 VanDerWaalsContact C-N 3.33Å; L88-L91 PolarHBondContact O-N 3.21Å; L88-Q92 PolarHBondContact O-N 3.32Å |
| 89 | S | 73.9 | Confident | 68.8 | Low | 80 Ų | 80 | 130.1 Ų | 130.1 | 56% | 0.559 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68.7 | -32.8 | 176.2 | -56 | 0 | 0 | 0 | 0 | 112 | N87 L91 | N87-S89 VanDerWaalsContact C-N 3.25Å; N87-S89 PolarHBondContact O-N 3.3Å; N87-S89 WeakPolarHBondContact OD1-CA 3.29Å; N87-S89 WeakPolarHBondContact OD1-CB 3.21Å; N87-S89 PolarHBondContact OD1-N 3.42Å; S89-L91 VanDerWaalsContact C-N 3.28Å; S89-L91 PolarHBondContact O-N 2.97Å |
| 90 | E | 70.7 | Confident | 68.8 | Low | 119 Ų | 119 | 133.9 Ų | 133.9 | 56% | 0.556 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67.4 | -29.1 | 176 | -67.9 | 176.3 | -145.5 | 0 | 0 | 112.7 | N87 L88 | N87-E90 HydrophobicContact CB-CB 4.35Å; N87-E90 HydrophobicContact CB-CG 3.87Å; N87-E90 VanDerWaalsContact CB-OE1 3.29Å; N87-E90 WeakPolarHBondContact CB-OE1 3.49Å; N87-E90 WeakPolarHBondContact O-CB 3.31Å; N87-E90 PolarHBondContact O-N 2.91Å; N87-E90 PolarHBondContact OD1-N 3.47Å; L88-E90 VanDerWaalsContact C-N 3.33Å |
| 91 | L | 68.6 | Low | 68.7 | Low | 96 Ų | 96 | 129.7 Ų | 129.7 | 50% | 0.503 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -80.8 | -34.4 | 179.8 | -82.9 | 163.5 | 0 | 0 | 0 | 112.9 | V86 L88 S89 N93 K94 K95 | V86-L91 HydrophobicContact CG1-CD1 3.34Å; V86-L91 HydrophobicContact CG1-CG 4.31Å; L88-L91 PolarHBondContact O-N 3.21Å; S89-L91 VanDerWaalsContact C-N 3.28Å; S89-L91 PolarHBondContact O-N 2.97Å; L91-N93 VanDerWaalsContact C-N 3.27Å; L91-N93 PolarHBondContact O-N 3.01Å; L91-K94 PolarHBondContact O-N 2.79Å; L91-K95 PolarHBondContact O-N 3.36Å |
| 92 | Q | 66.4 | Low | 68.6 | Low | 148 Ų | 148 | 128.5 Ų | 128.5 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -65.3 | -34.2 | 178.8 | -72.2 | -179.4 | -37.1 | 0 | 0 | 112.1 | L88 K94 | L88-Q92 PolarHBondContact O-N 3.32Å; Q92-K94 VanDerWaalsContact C-N 3.27Å; Q92-K94 PolarHBondContact O-N 3.38Å |
| 93 | N | 64.1 | Low | 68.3 | Low | 126 Ų | 126 | 131.6 Ų | 131.6 | 67% | 0.674 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -70.3 | -21.9 | -179.9 | -133.3 | 0.7 | 0 | 0 | 0 | 113.2 | L91 S96 | L91-N93 VanDerWaalsContact C-N 3.27Å; L91-N93 PolarHBondContact O-N 3.01Å; N93-S96 PolarHBondContact O-OG 3.4Å |
| 94 | K | 59.8 | Low | 67.3 | Low | 131 Ų | 131 | 141.3 Ų | 141.3 | 57% | 0.57 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -95 | -17.8 | -177.5 | -63 | 177.2 | -174.7 | 174 | 0 | 113.6 | L91 Q92 S96 | L91-K94 PolarHBondContact O-N 2.79Å; Q92-K94 VanDerWaalsContact C-N 3.27Å; Q92-K94 PolarHBondContact O-N 3.38Å; K94-S96 VanDerWaalsContact C-N 3.35Å |
| 95 | K | 59.4 | Low | 66.8 | Low | 179 Ų | 179 | 142.2 Ų | 142.2 | 78% | 0.778 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -76.2 | -23.6 | 178.5 | -172.1 | -180 | 153.1 | -177.7 | 0 | 112.3 | L91 | L91-K95 PolarHBondContact O-N 3.36Å |
| 96 | S | 62.7 | Low | 66.3 | Low | 94 Ų | 94 | 144.2 Ų | 144.2 | 66% | 0.657 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -78.7 | -21.5 | 176.5 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | N93 K94 | N93-S96 PolarHBondContact O-OG 3.4Å; K94-S96 VanDerWaalsContact C-N 3.35Å |
| 97 | E | 64 | Low | 66.1 | Low | 162 Ų | 162 | 146.5 Ų | 146.5 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -83.7 | -16 | -176.2 | -160 | 169.7 | -155.9 | 0 | 0 | 113.1 | R99 | E97-R99 PolarHBondContact O-N 3.13Å; E97-R99 VanDerWaalsContact O-N 3.1Å |
| 98 | L | 61.4 | Low | 65.4 | Low | 138 Ų | 138 | 150.5 Ų | 150.5 | 72% | 0.723 | 73% | 0.731 | S | S | * | * | | | trans | -85.1 | 79.7 | 174.3 | -68.7 | 170 | 0 | 0 | 0 | 110.3 | W100 | L98-W100 PolarHBondContact O-N 3.39Š|
| 99 | R | 73.5 | Confident | 65 | Low | 215 Ų | 215 | 151.8 Ų | 151.8 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | | | trans | -69.9 | 121.4 | 163.2 | 65.2 | -173.7 | 179.6 | 140.5 | 0.5 | 109 | E97 V101 | E97-R99 PolarHBondContact O-N 3.13Å; E97-R99 VanDerWaalsContact O-N 3.1Å; R99-V101 HydrophobicContact CG-CG2 4.4Å; R99-V101 PolarHBondContact O-N 3.26Å |
| 100 | W | 66.9 | Low | 64.5 | Low | 242 Ų | 242 | 156.5 Ų | 156.5 | 92% | 0.917 | 75% | 0.745 | S | S | * | * | | | trans | -63.8 | 108.5 | 171.2 | -63.1 | 93.6 | 0 | 0 | 0 | 108.3 | L98 T102 | L98-W100 PolarHBondContact O-N 3.39Å; W100-T102 PolarHBondContact O-N 3.28Å |
| 101 | V | 65.9 | Low | 64 | Low | 114 Ų | 114 | 159.2 Ų | 159.2 | 69% | 0.691 | 76% | 0.758 | S | S | * | * | | | trans | -84.3 | 95.7 | 168 | -178.7 | 0 | 0 | 0 | 0 | 106.2 | R99 K103 | R99-V101 HydrophobicContact CG-CG2 4.4Å; R99-V101 PolarHBondContact O-N 3.26Å; V101-K103 PolarHBondContact O-N 3.5Å |
| 102 | T | 67.6 | Low | 63.7 | Low | 125 Ų | 125 | 164.1 Ų | 164.1 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | -64.5 | 123.1 | 162.3 | 38.3 | 0 | 0 | 0 | 0 | 107.7 | W100 | W100-T102 PolarHBondContact O-N 3.28Š|
| 103 | K | 63.8 | Low | 63.4 | Low | 201 Ų | 201 | 165.4 Ų | 165.4 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | | | trans | -81.4 | 119.4 | 175.5 | -167 | -178 | -178.9 | -149.6 | 0 | 107.9 | V101 | V101-K103 PolarHBondContact O-N 3.5Š|
| 104 | E | 52.1 | Low | 63.4 | Low | 258 Ų | 258 | 169 Ų | 169 | 100% | 1.206 | 80% | 0.795 | S | S | * | * | | | trans | -70.8 | 0 | 166.7 | -63.5 | -171.8 | -174.6 | 0 | 0 | 111.5 | | |