| 1 | M | 45.2 | Very low | 51.6 | Low | 233 Ų | 233 | 140.9 Ų | 140.9 | 100% | 1.148 | 80% | 0.803 | S | S | * | * | | | | 0 | 99.7 | 0 | -63.3 | -154.7 | -66.6 | 0 | 0 | 108 | L3 | M1-L3 PolarHBondContact O-N 2.96Š|
| 2 | L | 47.7 | Very low | 51.1 | Low | 162 Ų | 162 | 146.5 Ų | 146.5 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | -72.5 | 118.6 | 175.5 | -134.1 | 73.1 | 0 | 0 | 0 | 106.8 | E4 | L2-E4 PolarHBondContact O-N 2.61Å; L2-E4 VanDerWaalsContact O-N 3.16Å |
| 3 | L | 56.9 | Low | 50.9 | Low | 137 Ų | 137 | 150.3 Ų | 150.3 | 72% | 0.717 | 82% | 0.82 | S | S | * | * | | | trans | -82.9 | 91.1 | 171.8 | -84.6 | 117.9 | 0 | 0 | 0 | 108.5 | M1 K5 | M1-L3 PolarHBondContact O-N 2.96Å; L3-K5 HydrophobicContact CD2-CD 4.28Å; L3-K5 PolarHBondContact O-N 3.4Å |
| 4 | E | 60.3 | Low | 50.5 | Low | 159 Ų | 159 | 152.9 Ų | 152.9 | 74% | 0.743 | 82% | 0.824 | S | S | * | * | | | trans | -58.8 | 120.3 | 153.4 | -66.5 | 171.1 | 175 | 0 | 0 | 107.6 | L2 | L2-E4 PolarHBondContact O-N 2.61Å; L2-E4 VanDerWaalsContact O-N 3.16Å |
| 5 | K | 64.8 | Low | 49.6 | Very low | 175 Ų | 175 | 150.7 Ų | 150.7 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | | | trans | -126.8 | 94.7 | 169.1 | -124.2 | 77.3 | 172.6 | 179.6 | 0 | 106.5 | L3 | L3-K5 HydrophobicContact CD2-CD 4.28Å; L3-K5 PolarHBondContact O-N 3.4Å |
| 6 | D | 53.3 | Low | 49.4 | Very low | 134 Ų | 134 | 150.2 Ų | 150.2 | 72% | 0.717 | 82% | 0.824 | S | S | * | * | | | trans | -58.2 | 130.3 | 164.9 | -58.6 | -63 | 0 | 0 | 0 | 110.5 | | |
| 7 | V | 50 | Low | 49.8 | Very low | 137 Ų | 137 | 145 Ų | 145 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | | | trans | -147.3 | 99.6 | 140.8 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 8 | N | 47.4 | Very low | 49.7 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | | | trans | -53.3 | 147.1 | 156.1 | -83.9 | -82.6 | 0 | 0 | 0 | 111 | | |
| 9 | P | 51.9 | Low | 49.4 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | | | trans | -115.5 | 83.5 | 137.1 | 33.8 | -24.6 | 0 | 0 | 0 | 108.4 | | |
| 10 | G | 42.5 | Very low | 49.9 | Very low | 71 Ų | 71 | 147 Ų | 147 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | | | trans | -68.3 | 137.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 11 | G | 48.1 | Very low | 50 | Low | 73 Ų | 73 | 143.3 Ų | 143.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | 169.4 | 32.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 12 | K | 45 | Very low | 50.6 | Low | 208 Ų | 208 | 136 Ų | 136 | 90% | 0.904 | 76% | 0.762 | S | S | * | * | | | trans | -144.5 | 108.7 | 144 | -65.8 | -167.8 | -176.6 | 174.3 | 0 | 108.1 | E14 | K12-E14 PolarHBondContact O-N 2.87Š|
| 13 | E | 49.3 | Very low | 51.4 | Low | 196 Ų | 196 | 132.2 Ų | 132.2 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | | | trans | -50.7 | 127.1 | 169.6 | -78.6 | -159.5 | 137.3 | 0 | 0 | 110.7 | | |
| 14 | E | 44.8 | Very low | 52.3 | Low | 187 Ų | 187 | 132.1 Ų | 132.1 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | | | trans | -134.8 | 121.9 | 139.3 | -90.3 | -150.4 | 152.8 | 0 | 0 | 108.3 | K12 | K12-E14 PolarHBondContact O-N 2.87Š|
| 15 | T | 36.6 | Very low | 53.3 | Low | 119 Ų | 119 | 129.1 Ų | 129.1 | 73% | 0.73 | 73% | 0.733 | S | S | * | * | | | trans | -25.7 | 130.2 | 173.9 | 49 | 0 | 0 | 0 | 0 | 115.4 | G17 | T15-G17 PolarHBondContact O-N 2.87Š|
| 16 | P | 46.5 | Very low | 54.4 | Low | 143 Ų | 143 | 126.5 Ų | 126.5 | 93% | 0.929 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -77.4 | 87.5 | 177.9 | 32.3 | -32.5 | 0 | 0 | 0 | 109.5 | | |
| 17 | G | 55.8 | Low | 56.2 | Low | 62 Ų | 62 | 125.8 Ų | 125.8 | 64% | 0.639 | 72% | 0.716 | S | S | * | * | | | trans | -174.5 | 27.1 | -175 | 0 | 0 | 0 | 0 | 0 | 118.4 | T15 | T15-G17 PolarHBondContact O-N 2.87Š|
| 18 | Q | 49.2 | Very low | 57.7 | Low | 160 Ų | 160 | 124.7 Ų | 124.7 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -157.3 | 98.4 | 167.6 | -123.1 | 164.1 | 19.8 | 0 | 0 | 116.2 | | |
| 19 | R | 44.2 | Very low | 59.6 | Low | 199 Ų | 199 | 120.7 Ų | 120.7 | 75% | 0.751 | 69% | 0.691 | S | S | * | * | | | trans | 57.8 | 122.3 | 148.9 | -59 | -177.2 | -179.6 | -172.2 | -0.3 | 118.3 | A21 V22 | R19-A21 PolarHBondContact O-N 3Å; R19-V22 HydrophobicContact CB-CG2 4.2Å; R19-V22 PolarHBondContact O-N 3.1Å |
| 20 | P | 57.7 | Low | 61.3 | Low | 116 Ų | 116 | 117.7 Ų | 117.7 | 75% | 0.753 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | -3.1 | -175.2 | 26.5 | -34.9 | 0 | 0 | 0 | 116.5 | T23 | P20-T23 PolarHBondContact O-OG1 2.97Š|
| 21 | A | 52.5 | Low | 63.6 | Low | 69 Ų | 69 | 118.8 Ų | 118.8 | 57% | 0.57 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.3 | -15.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R19 | R19-A21 PolarHBondContact O-N 3Š|
| 22 | V | 57.4 | Low | 65.7 | Low | 81 Ų | 81 | 118.8 Ų | 118.8 | 49% | 0.491 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -79.3 | -34.5 | -176.4 | -176.6 | 0 | 0 | 0 | 0 | 110.6 | R19 T25 H26 | R19-V22 HydrophobicContact CB-CG2 4.2Å; R19-V22 PolarHBondContact O-N 3.1Å; V22-T25 PolarHBondContact O-N 3.37Å; V22-T25 PolarHBondContact O-OG1 2.97Å; V22-H26 PolarHBondContact O-N 2.94Å |
| 23 | T | 65.5 | Low | 67.9 | Low | 81 Ų | 81 | 114.1 Ų | 114.1 | 50% | 0.497 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.7 | -36.4 | -179.1 | 54.2 | 0 | 0 | 0 | 0 | 113.1 | P20 T25 H26 Q27 | P20-T23 PolarHBondContact O-OG1 2.97Å; T23-T25 VanDerWaalsContact C-N 3.32Å; T23-T25 PolarHBondContact O-N 3.11Å; T23-H26 WeakPolarHBondContact O-CB 3.47Å; T23-H26 PolarHBondContact O-N 3.09Å; T23-Q27 WeakPolarHBondContact O-CG 3.21Å; T23-Q27 PolarHBondContact O-N 3.2Å |
| 24 | E | 74.8 | Confident | 69.9 | Low | 136 Ų | 136 | 110 Ų | 110 | 64% | 0.636 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.3 | -38 | 176.3 | -64.9 | -176.9 | 175 | 0 | 0 | 111.7 | H26 Q27 L28 | E24-H26 VanDerWaalsContact C-N 3.34Å; E24-H26 PolarHBondContact O-N 3.06Å; E24-Q27 PolarHBondContact O-N 3.04Å; E24-L28 PolarHBondContact O-N 3.45Å; E24-L28 VanDerWaalsContact O-N 3.13Å |
| 25 | T | 83.1 | Confident | 72.3 | Confident | 95 Ų | 95 | 107.3 Ų | 107.3 | 58% | 0.583 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.5 | -34 | 175.3 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | V22 T23 L28 A29 | V22-T25 PolarHBondContact O-N 3.37Å; V22-T25 PolarHBondContact O-OG1 2.97Å; T23-T25 VanDerWaalsContact C-N 3.32Å; T23-T25 PolarHBondContact O-N 3.11Å; T25-L28 PolarHBondContact O-N 3.44Å; T25-A29 WeakPolarHBondContact O-CB 3.45Å; T25-A29 PolarHBondContact O-N 2.83Å |
| 26 | H | 87.8 | Confident | 75 | Confident | 121 Ų | 121 | 105.8 Ų | 105.8 | 56% | 0.56 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.4 | -43.7 | 174.2 | -170.3 | 72.1 | 0 | 0 | 0 | 111.6 | V22 T23 E24 L28 A29 E30 | V22-H26 PolarHBondContact O-N 2.94Å; T23-H26 WeakPolarHBondContact O-CB 3.47Å; T23-H26 PolarHBondContact O-N 3.09Å; E24-H26 VanDerWaalsContact C-N 3.34Å; E24-H26 PolarHBondContact O-N 3.06Å; H26-L28 PolarHBondContact O-N 3.04Å; H26-A29 WeakPolarHBondContact O-CB 3.5Å; H26-A29 PolarHBondContact O-N 3.29Å; H26-E30 IonicContact CD2-OE1 3.1Å; H26-E30 PolarHBondContact CD2-OE1 3.25Å; H26-E30 IonicContact NE2-OE1 2.72Å; H26-E30 PolarHBondContact NE2-OE1 3.37Å; H26-E30 VanDerWaalsContact NE2-OE1 3.16Å; H26-E30 WeakPolarHBondContact O-CG 3.37Å; H26-E30 PolarHBondContact O-N 2.88Å |
| 27 | Q | 89.1 | Confident | 77.2 | Confident | 118 Ų | 118 | 103.4 Ų | 103.4 | 55% | 0.551 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.5 | -44.3 | 176.5 | -68.6 | 174.7 | 20.5 | 0 | 0 | 111.9 | T23 E24 A29 E30 L31 | T23-Q27 WeakPolarHBondContact O-CG 3.21Å; T23-Q27 PolarHBondContact O-N 3.2Å; E24-Q27 PolarHBondContact O-N 3.04Å; Q27-A29 VanDerWaalsContact C-N 3.32Å; Q27-A29 PolarHBondContact O-N 3.25Å; Q27-E30 PolarHBondContact O-N 3.44Å; Q27-L31 VanDerWaalsContact O-CG 3.31Å; Q27-L31 WeakPolarHBondContact O-CG 3.29Å; Q27-L31 PolarHBondContact O-N 3.35Å |
| 28 | L | 83.3 | Confident | 79 | Confident | 114 Ų | 114 | 109.2 Ų | 109.2 | 60% | 0.597 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.7 | -34.3 | 178.1 | -155.8 | 74.3 | 0 | 0 | 0 | 112 | E24 T25 H26 N32 | E24-L28 PolarHBondContact O-N 3.45Å; E24-L28 VanDerWaalsContact O-N 3.13Å; T25-L28 PolarHBondContact O-N 3.44Å; H26-L28 PolarHBondContact O-N 3.04Å; L28-N32 PolarHBondContact O-N 2.59Å; L28-N32 PolarHBondContact O-ND2 3.37Å |
| 29 | A | 86.7 | Confident | 81.1 | Confident | 55 Ų | 55 | 106.4 Ų | 106.4 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.6 | -48.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T25 H26 Q27 L31 N32 E33 | T25-A29 WeakPolarHBondContact O-CB 3.45Å; T25-A29 PolarHBondContact O-N 2.83Å; H26-A29 WeakPolarHBondContact O-CB 3.5Å; H26-A29 PolarHBondContact O-N 3.29Å; Q27-A29 VanDerWaalsContact C-N 3.32Å; Q27-A29 PolarHBondContact O-N 3.25Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 2.71Å; A29-N32 PolarHBondContact O-N 3.36Å; A29-N32 VanDerWaalsContact O-N 3.08Å; A29-E33 PolarHBondContact O-N 2.9Å |
| 30 | E | 88.3 | Confident | 83.4 | Confident | 68 Ų | 68 | 103 Ų | 103 | 32% | 0.318 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 175.7 | -75 | -177 | -147.1 | 0 | 0 | 112.3 | H26 Q27 N32 E33 K34 | H26-E30 IonicContact CD2-OE1 3.1Å; H26-E30 PolarHBondContact CD2-OE1 3.25Å; H26-E30 IonicContact NE2-OE1 2.72Å; H26-E30 PolarHBondContact NE2-OE1 3.37Å; H26-E30 VanDerWaalsContact NE2-OE1 3.16Å; H26-E30 WeakPolarHBondContact O-CG 3.37Å; H26-E30 PolarHBondContact O-N 2.88Å; Q27-E30 PolarHBondContact O-N 3.44Å; E30-N32 VanDerWaalsContact C-N 3.26Å; E30-N32 PolarHBondContact O-N 3.05Å; E30-E33 PolarHBondContact O-N 3.47Å; E30-K34 WeakPolarHBondContact O-CB 3.38Å; E30-K34 VanDerWaalsContact O-CG 3.29Å; E30-K34 WeakPolarHBondContact O-CG 3.5Å; E30-K34 PolarHBondContact O-N 3.24Å; E30-K34 IonicContact OE2-NZ 3.16Å; E30-K34 PolarHBondContact OE2-NZ 3.42Å; E30-K34 VanDerWaalsContact OE2-NZ 3.16Å |
| 31 | L | 89.1 | Confident | 85 | Confident | 93 Ų | 93 | 100.1 Ų | 100.1 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.3 | -34.5 | 177.6 | -72.6 | 177.4 | 0 | 0 | 0 | 112 | Q27 A29 K35 | Q27-L31 VanDerWaalsContact O-CG 3.31Å; Q27-L31 WeakPolarHBondContact O-CG 3.29Å; Q27-L31 PolarHBondContact O-N 3.35Å; A29-L31 VanDerWaalsContact C-N 3.31Å; A29-L31 PolarHBondContact O-N 2.71Å; L31-K35 WeakPolarHBondContact O-CG 3.1Å; L31-K35 PolarHBondContact O-N 2.87Å |
| 32 | N | 92.6 | Very high | 86.8 | Confident | 74 Ų | 74 | 100.8 Ų | 100.8 | 40% | 0.396 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.4 | -37.9 | 174.8 | -75.2 | -41.7 | 0 | 0 | 0 | 112.1 | L28 A29 E30 K35 N36 | L28-N32 PolarHBondContact O-N 2.59Å; L28-N32 PolarHBondContact O-ND2 3.37Å; A29-N32 PolarHBondContact O-N 3.36Å; A29-N32 VanDerWaalsContact O-N 3.08Å; E30-N32 VanDerWaalsContact C-N 3.26Å; E30-N32 PolarHBondContact O-N 3.05Å; N32-K35 WeakPolarHBondContact O-CB 3.47Å; N32-K35 PolarHBondContact O-N 3.15Å; N32-N36 WeakPolarHBondContact O-CB 3.47Å; N32-N36 VanDerWaalsContact O-CG 3.24Å; N32-N36 PolarHBondContact O-N 3.12Å; N32-N36 PolarHBondContact O-ND2 3.47Å |
| 33 | E | 91.1 | Very high | 88.4 | Confident | 109 Ų | 109 | 104.5 Ų | 104.5 | 51% | 0.509 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 172.8 | -174.6 | 168.8 | -154.1 | 0 | 0 | 110.8 | A29 E30 K35 N36 E37 | A29-E33 PolarHBondContact O-N 2.9Å; E30-E33 PolarHBondContact O-N 3.47Å; E33-K35 VanDerWaalsContact C-N 3.28Å; E33-K35 PolarHBondContact O-N 3.28Å; E33-N36 CarbonylContact O-C 3.57Å; E33-N36 WeakPolarHBondContact O-CA 3.23Å; E33-N36 WeakPolarHBondContact O-CB 3.45Å; E33-N36 PolarHBondContact O-N 3.19Å; E33-E37 HydrophobicContact CG-CG 4.27Å; E33-E37 WeakPolarHBondContact O-CB 3.24Å; E33-E37 WeakPolarHBondContact O-CG 3.48Å; E33-E37 PolarHBondContact O-N 3.47Å |
| 34 | K | 91.8 | Very high | 89.4 | Confident | 109 Ų | 109 | 102.7 Ų | 102.7 | 47% | 0.474 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -56.1 | -39.3 | 174.5 | -73.3 | 164.2 | 179.4 | 153.9 | 0 | 112.8 | E30 R38 | E30-K34 WeakPolarHBondContact O-CB 3.38Å; E30-K34 VanDerWaalsContact O-CG 3.29Å; E30-K34 WeakPolarHBondContact O-CG 3.5Å; E30-K34 PolarHBondContact O-N 3.24Å; E30-K34 IonicContact OE2-NZ 3.16Å; E30-K34 PolarHBondContact OE2-NZ 3.42Å; E30-K34 VanDerWaalsContact OE2-NZ 3.16Å; K34-R38 WeakPolarHBondContact O-CB 3.25Å; K34-R38 PolarHBondContact O-N 3Å |
| 35 | K | 95.7 | Very high | 90 | Very high | 131 Ų | 131 | 99.8 Ų | 99.8 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.1 | -43.2 | 173.6 | -73 | 170.9 | -171.9 | 169.4 | 0 | 111.6 | L31 N32 E33 R38 L39 | L31-K35 WeakPolarHBondContact O-CG 3.1Å; L31-K35 PolarHBondContact O-N 2.87Å; N32-K35 WeakPolarHBondContact O-CB 3.47Å; N32-K35 PolarHBondContact O-N 3.15Å; E33-K35 VanDerWaalsContact C-N 3.28Å; E33-K35 PolarHBondContact O-N 3.28Å; K35-R38 PolarHBondContact O-N 2.96Å; K35-L39 WeakPolarHBondContact O-CG 3.48Å; K35-L39 PolarHBondContact O-N 2.94Å; K35-L39 VanDerWaalsContact O-N 3.1Å |
| 36 | N | 93.3 | Very high | 90.3 | Very high | 88 Ų | 88 | 97.7 Ų | 97.7 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | 179.3 | -70.4 | -19.6 | 0 | 0 | 0 | 112.1 | N32 E33 R38 L39 R40 | N32-N36 WeakPolarHBondContact O-CB 3.47Å; N32-N36 VanDerWaalsContact O-CG 3.24Å; N32-N36 PolarHBondContact O-N 3.12Å; N32-N36 PolarHBondContact O-ND2 3.47Å; E33-N36 CarbonylContact O-C 3.57Å; E33-N36 WeakPolarHBondContact O-CA 3.23Å; E33-N36 WeakPolarHBondContact O-CB 3.45Å; E33-N36 PolarHBondContact O-N 3.19Å; N36-R38 VanDerWaalsContact C-N 3.33Å; N36-R38 PolarHBondContact O-N 3.44Å; N36-L39 WeakPolarHBondContact O-CB 3.49Å; N36-L39 PolarHBondContact O-N 3.46Å; N36-R40 WeakPolarHBondContact O-CG 3.34Å; N36-R40 PolarHBondContact O-N 3.13Å |
| 37 | E | 93.2 | Very high | 90.3 | Very high | 93 Ų | 93 | 99.4 Ų | 99.4 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -43.8 | 172.4 | -73.3 | 175 | 172.4 | 0 | 0 | 111.3 | E33 L39 R40 A41 | E33-E37 HydrophobicContact CG-CG 4.27Å; E33-E37 WeakPolarHBondContact O-CB 3.24Å; E33-E37 WeakPolarHBondContact O-CG 3.48Å; E33-E37 PolarHBondContact O-N 3.47Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 2.87Å; E37-R40 WeakPolarHBondContact O-CB 3.47Å; E37-R40 PolarHBondContact O-N 3.43Å; E37-A41 WeakPolarHBondContact O-CB 3.44Å; E37-A41 PolarHBondContact O-N 3.02Å |
| 38 | R | 92.6 | Very high | 90.2 | Very high | 184 Ų | 184 | 98 Ų | 98 | 69% | 0.694 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.5 | -40.5 | 174.9 | -174.9 | 177.5 | -179.5 | 173.6 | 1.4 | 112.1 | K34 K35 N36 A42 | K34-R38 WeakPolarHBondContact O-CB 3.25Å; K34-R38 PolarHBondContact O-N 3Å; K35-R38 PolarHBondContact O-N 2.96Å; N36-R38 VanDerWaalsContact C-N 3.33Å; N36-R38 PolarHBondContact O-N 3.44Å; R38-A42 WeakPolarHBondContact O-CB 3.41Å; R38-A42 PolarHBondContact O-N 2.79Å |
| 39 | L | 94.1 | Very high | 90.4 | Very high | 100 Ų | 100 | 96.3 Ų | 96.3 | 52% | 0.524 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -46.6 | 174.1 | -68.1 | 173.4 | 0 | 0 | 0 | 110.9 | K35 N36 E37 A41 A42 F43 | K35-L39 WeakPolarHBondContact O-CG 3.48Å; K35-L39 PolarHBondContact O-N 2.94Å; K35-L39 VanDerWaalsContact O-N 3.1Å; N36-L39 WeakPolarHBondContact O-CB 3.49Å; N36-L39 PolarHBondContact O-N 3.46Å; E37-L39 VanDerWaalsContact C-N 3.3Å; E37-L39 PolarHBondContact O-N 2.87Å; L39-A41 PolarHBondContact O-N 3.16Å; L39-A42 PolarHBondContact O-N 3.49Å; L39-F43 WeakPolarHBondContact O-CD2 3Å; L39-F43 PolarHBondContact O-N 3.16Å |
| 40 | R | 92.7 | Very high | 90.5 | Very high | 129 Ų | 129 | 98.2 Ų | 98.2 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -55.7 | -48.7 | 176.5 | -74.1 | 175.6 | -179.4 | -179.2 | 2.7 | 111.8 | N36 E37 A42 F43 G44 I45 | N36-R40 WeakPolarHBondContact O-CG 3.34Å; N36-R40 PolarHBondContact O-N 3.13Å; E37-R40 WeakPolarHBondContact O-CB 3.47Å; E37-R40 PolarHBondContact O-N 3.43Å; R40-A42 PolarHBondContact O-N 2.9Å; R40-F43 CarbonylContact O-C 3.53Å; R40-F43 PolarHBondContact O-N 3.29Å; R40-G44 PolarHBondContact O-N 3.4Å; R40-G44 VanDerWaalsContact O-N 3.13Å; R40-I45 WeakPolarHBondContact CB-O 3.33Å; R40-I45 PolarHBondContact O-N 3.4Å |
| 41 | A | 90.4 | Very high | 90.3 | Very high | 54 Ų | 54 | 101.5 Ų | 101.5 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E37 L39 F43 G44 | E37-A41 WeakPolarHBondContact O-CB 3.44Å; E37-A41 PolarHBondContact O-N 3.02Å; L39-A41 PolarHBondContact O-N 3.16Å; A41-F43 VanDerWaalsContact C-N 3.29Å; A41-F43 PolarHBondContact O-N 3.19Å; A41-G44 PolarHBondContact O-N 3.44Å |
| 42 | A | 90.8 | Very high | 90.2 | Very high | 83 Ų | 83 | 100 Ų | 100 | 69% | 0.686 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64 | -33.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | R38 L39 R40 G44 | R38-A42 WeakPolarHBondContact O-CB 3.41Å; R38-A42 PolarHBondContact O-N 2.79Å; L39-A42 PolarHBondContact O-N 3.49Å; R40-A42 PolarHBondContact O-N 2.9Å; A42-G44 VanDerWaalsContact C-N 3.3Å |
| 43 | F | 89.6 | Confident | 89.8 | Confident | 159 Ų | 159 | 97.7 Ų | 97.7 | 70% | 0.697 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 0.9 | 172.9 | -71.4 | -70.1 | 0 | 0 | 0 | 113.5 | L39 R40 A41 I45 | L39-F43 WeakPolarHBondContact O-CD2 3Å; L39-F43 PolarHBondContact O-N 3.16Å; R40-F43 CarbonylContact O-C 3.53Å; R40-F43 PolarHBondContact O-N 3.29Å; A41-F43 VanDerWaalsContact C-N 3.29Å; A41-F43 PolarHBondContact O-N 3.19Å; F43-I45 VanDerWaalsContact C-N 3.27Å; F43-I45 HydrophobicContact CB-CD1 4.06Å; F43-I45 HydrophobicContact CB-CG1 4.12Å; F43-I45 PolarHBondContact O-N 3.21Å |
| 44 | G | 87.4 | Confident | 89.2 | Confident | 44 Ų | 44 | 95 Ų | 95 | 45% | 0.454 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 22.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114 | R40 A41 A42 S46 | R40-G44 PolarHBondContact O-N 3.4Å; R40-G44 VanDerWaalsContact O-N 3.13Å; A41-G44 PolarHBondContact O-N 3.44Å; A42-G44 VanDerWaalsContact C-N 3.3Å; G44-S46 PolarHBondContact O-N 3.43Å |
| 45 | I | 87.3 | Confident | 88.6 | Confident | 75 Ų | 75 | 97.9 Ų | 97.9 | 39% | 0.385 | 53% | 0.533 | S | S | . | . | | | trans | -96.2 | 89.2 | 178.6 | -55.7 | 174.2 | 0 | 0 | 0 | 107.5 | R40 F43 Y49 | R40-I45 WeakPolarHBondContact CB-O 3.33Å; R40-I45 PolarHBondContact O-N 3.4Å; F43-I45 VanDerWaalsContact C-N 3.27Å; F43-I45 HydrophobicContact CB-CD1 4.06Å; F43-I45 HydrophobicContact CB-CG1 4.12Å; F43-I45 PolarHBondContact O-N 3.21Å; I45-Y49 HydrophobicContact CB-CG 4.49Å; I45-Y49 HydrophobicContact CG2-CD1 3.95Å; I45-Y49 HydrophobicContact CG2-CG 3.94Å |
| 46 | S | 89.5 | Confident | 88.1 | Confident | 51 Ų | 51 | 94.9 Ų | 94.9 | 36% | 0.357 | 52% | 0.523 | S | S | . | . | | | trans | -79.7 | 168.4 | 170.2 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | G44 S48 Y49 | G44-S46 PolarHBondContact O-N 3.43Å; S46-S48 PolarHBondContact O-N 2.89Å; S46-S48 VanDerWaalsContact O-N 3.15Å; S46-S48 PolarHBondContact OG-OG 2.83Å; S46-Y49 WeakPolarHBondContact O-CB 3.14Å; S46-Y49 PolarHBondContact O-N 2.83Å |
| 47 | D | 87.7 | Confident | 87.5 | Confident | 157 Ų | 157 | 95.5 Ų | 95.5 | 84% | 0.84 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.9 | 177.9 | -58.7 | -38 | 0 | 0 | 0 | 113.5 | Y49 | D47-Y49 VanDerWaalsContact C-N 3.27Š|
| 48 | S | 87.5 | Confident | 87 | Confident | 87 Ų | 87 | 97.3 Ų | 97.3 | 61% | 0.608 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | 7.3 | 172.2 | 56.7 | 0 | 0 | 0 | 0 | 113.8 | S46 V50 | S46-S48 PolarHBondContact O-N 2.89Å; S46-S48 VanDerWaalsContact O-N 3.15Å; S46-S48 PolarHBondContact OG-OG 2.83Å; S48-V50 PolarHBondContact O-N 3.43Å |
| 49 | Y | 87.2 | Confident | 86.5 | Confident | 79 Ų | 79 | 89.9 Ų | 89.9 | 31% | 0.31 | 51% | 0.512 | S | S | . | . | | | trans | -69.2 | 115.4 | -179.6 | -178.9 | -93.1 | 0 | 0 | 0 | 111.5 | I45 S46 D47 D51 S54 | I45-Y49 HydrophobicContact CB-CG 4.49Å; I45-Y49 HydrophobicContact CG2-CD1 3.95Å; I45-Y49 HydrophobicContact CG2-CG 3.94Å; S46-Y49 WeakPolarHBondContact O-CB 3.14Å; S46-Y49 PolarHBondContact O-N 2.83Å; D47-Y49 VanDerWaalsContact C-N 3.27Å; Y49-D51 HydrophobicContact CE1-CB 4.1Å; Y49-D51 PolarHBondContact OH-OD1 3.08Å; Y49-S54 WeakPolarHBondContact CE2-OG 3.34Å |
| 50 | V | 88.2 | Confident | 85.7 | Confident | 96 Ų | 96 | 91.7 Ų | 91.7 | 58% | 0.582 | 51% | 0.512 | S | S | * | . | | | trans | -107.7 | 121.5 | 167.5 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | S48 G52 S53 | S48-V50 PolarHBondContact O-N 3.43Å; V50-G52 PolarHBondContact O-N 2.86Å; V50-S53 WeakPolarHBondContact O-CB 3.47Å; V50-S53 PolarHBondContact O-N 3.26Å; V50-S53 PolarHBondContact O-OG 2.99Å |
| 51 | D | 85.3 | Confident | 85 | Confident | 137 Ų | 137 | 87.9 Ų | 87.9 | 73% | 0.733 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 135.7 | 179.8 | -168.5 | 7.4 | 0 | 0 | 0 | 110.7 | Y49 S53 | Y49-D51 HydrophobicContact CE1-CB 4.1Å; Y49-D51 PolarHBondContact OH-OD1 3.08Å; D51-S53 VanDerWaalsContact C-N 3.3Å; D51-S53 PolarHBondContact O-N 3.03Å |
| 52 | G | 87.1 | Confident | 84.3 | Confident | 61 Ų | 61 | 93.8 Ų | 93.8 | 63% | 0.629 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -16.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | V50 S54 | V50-G52 PolarHBondContact O-N 2.86Å; G52-S54 VanDerWaalsContact C-N 3.34Å; G52-S54 PolarHBondContact O-N 3.39Å |
| 53 | S | 84.5 | Confident | 83.6 | Confident | 26 Ų | 26 | 93.5 Ų | 93.5 | 18% | 0.182 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -81.5 | -7.6 | 179.9 | 70 | 0 | 0 | 0 | 0 | 114.5 | V50 D51 F55 D56 R59 | V50-S53 WeakPolarHBondContact O-CB 3.47Å; V50-S53 PolarHBondContact O-N 3.26Å; V50-S53 PolarHBondContact O-OG 2.99Å; D51-S53 VanDerWaalsContact C-N 3.3Å; D51-S53 PolarHBondContact O-N 3.03Å; S53-F55 PolarHBondContact O-N 3.47Å; S53-F55 VanDerWaalsContact O-N 3.11Å; S53-D56 VanDerWaalsContact O-CB 3.23Å; S53-D56 WeakPolarHBondContact O-CB 3.47Å; S53-D56 PolarHBondContact O-N 3.18Å; S53-R59 WeakPolarHBondContact OG-CD 3.44Å; S53-R59 PolarHBondContact OG-NE 2.89Å; S53-R59 PolarHBondContact OG-NH1 3.23Å |
| 54 | S | 77.9 | Confident | 82.7 | Confident | 51 Ų | 51 | 90 Ų | 90 | 36% | 0.357 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -62.3 | -17.2 | 177.5 | -67.8 | 0 | 0 | 0 | 0 | 113.7 | Y49 G52 R59 | Y49-S54 WeakPolarHBondContact CE2-OG 3.34Å; G52-S54 VanDerWaalsContact C-N 3.34Å; G52-S54 PolarHBondContact O-N 3.39Å; S54-R59 PolarHBondContact OG-NH1 2.75Å |
| 55 | F | 77.9 | Confident | 81.7 | Confident | 170 Ų | 170 | 96.5 Ų | 96.5 | 75% | 0.746 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -90.2 | -5.8 | 174.1 | -145.9 | -98.1 | 0 | 0 | 0 | 113.5 | S53 P57 | S53-F55 PolarHBondContact O-N 3.47Å; S53-F55 VanDerWaalsContact O-N 3.11Å; F55-P57 VanDerWaalsContact O-CD 3.29Å; F55-P57 WeakPolarHBondContact O-CD 3.41Å |
| 56 | D | 85.3 | Confident | 80.5 | Confident | 69 Ų | 69 | 99.2 Ų | 99.2 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | | | trans | -68.9 | 118.1 | 174.5 | -171.4 | -19.1 | 0 | 0 | 0 | 109.8 | S53 Q58 R59 R60 | S53-D56 VanDerWaalsContact O-CB 3.23Å; S53-D56 WeakPolarHBondContact O-CB 3.47Å; S53-D56 PolarHBondContact O-N 3.18Å; D56-Q58 PolarHBondContact O-N 3.07Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.29Å; D56-Q58 PolarHBondContact OD1-N 2.93Å; D56-R59 HydrophobicContact CB-CB 4.06Å; D56-R59 PolarHBondContact O-N 3.18Å; D56-R59 VanDerWaalsContact O-N 3.09Å; D56-R60 PolarHBondContact O-N 2.97Å |
| 57 | P | 82.1 | Confident | 78.8 | Confident | 100 Ų | 100 | 101.9 Ų | 101.9 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -55.5 | -33.8 | 178.3 | -24.8 | 34.8 | 0 | 0 | 0 | 113.3 | F55 A61 | F55-P57 VanDerWaalsContact O-CD 3.29Å; F55-P57 WeakPolarHBondContact O-CD 3.41Å; P57-A61 WeakPolarHBondContact O-CB 3.48Å; P57-A61 PolarHBondContact O-N 2.69Å |
| 58 | Q | 82.1 | Confident | 77.2 | Confident | 132 Ų | 132 | 98.4 Ų | 98.4 | 62% | 0.617 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -69.2 | -37.5 | 179.4 | -64 | -170.4 | -34.3 | 0 | 0 | 111.6 | D56 R62 | D56-Q58 PolarHBondContact O-N 3.07Å; D56-Q58 WeakPolarHBondContact OD1-CB 3.29Å; D56-Q58 PolarHBondContact OD1-N 2.93Å; Q58-R62 WeakPolarHBondContact O-CG 3.49Å; Q58-R62 PolarHBondContact O-N 3.42Å |
| 59 | R | 81.8 | Confident | 75.6 | Confident | 28 Ų | 28 | 99.1 Ų | 99.1 | 11% | 0.106 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -70.4 | -43.7 | 176.9 | -168.9 | 170.4 | 178.9 | -109.8 | -27.4 | 111.3 | S53 S54 D56 A61 R62 E63 | S53-R59 WeakPolarHBondContact OG-CD 3.44Å; S53-R59 PolarHBondContact OG-NE 2.89Å; S53-R59 PolarHBondContact OG-NH1 3.23Å; S54-R59 PolarHBondContact OG-NH1 2.75Å; D56-R59 HydrophobicContact CB-CB 4.06Å; D56-R59 PolarHBondContact O-N 3.18Å; D56-R59 VanDerWaalsContact O-N 3.09Å; R59-A61 VanDerWaalsContact C-N 3.3Å; R59-A61 PolarHBondContact O-N 3.25Å; R59-R62 WeakPolarHBondContact O-CB 3.32Å; R59-R62 PolarHBondContact O-N 3.19Å; R59-E63 HydrophobicContact CG-CG 4.46Å; R59-E63 IonicContact CZ-OE1 3Å; R59-E63 IonicContact NE-OE1 3.36Å; R59-E63 PolarHBondContact NE-OE1 2.86Å; R59-E63 IonicContact NH1-OE1 3.08Å; R59-E63 IonicContact NH2-OE1 2.71Å; R59-E63 PolarHBondContact NH2-OE1 3.39Å; R59-E63 WeakPolarHBondContact O-CG 3.43Å; R59-E63 PolarHBondContact O-N 2.88Å |
| 60 | R | 77.8 | Confident | 73.9 | Confident | 137 Ų | 137 | 101.8 Ų | 101.8 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.1 | -41.8 | 174.7 | -172 | -177.6 | -64.4 | 167 | 3.4 | 112.2 | D56 R62 E63 A64 | D56-R60 PolarHBondContact O-N 2.97Å; R60-R62 VanDerWaalsContact C-N 3.29Å; R60-R62 PolarHBondContact O-N 3.49Å; R60-E63 PolarHBondContact O-N 3.14Å; R60-A64 VanDerWaalsContact O-CB 3.25Å; R60-A64 WeakPolarHBondContact O-CB 3.45Å; R60-A64 PolarHBondContact O-N 3.19Å |
| 61 | A | 77.5 | Confident | 72.5 | Confident | 49 Ų | 49 | 102.3 Ų | 102.3 | 41% | 0.405 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.5 | -31.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P57 R59 K65 | P57-A61 WeakPolarHBondContact O-CB 3.48Å; P57-A61 PolarHBondContact O-N 2.69Å; R59-A61 VanDerWaalsContact C-N 3.3Å; R59-A61 PolarHBondContact O-N 3.25Å; A61-K65 WeakPolarHBondContact O-CB 3.45Å; A61-K65 WeakPolarHBondContact O-CD 3.48Å; A61-K65 VanDerWaalsContact O-CG 3.24Å; A61-K65 WeakPolarHBondContact O-CG 3.45Å; A61-K65 PolarHBondContact O-N 3.3Å |
| 62 | R | 76.1 | Confident | 71 | Confident | 179 Ų | 179 | 100.3 Ų | 100.3 | 68% | 0.675 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -76 | -44.6 | 174.8 | -69.2 | 173.8 | -175.7 | -178.7 | 3 | 111.5 | Q58 R59 R60 A64 K65 Q66 | Q58-R62 WeakPolarHBondContact O-CG 3.49Å; Q58-R62 PolarHBondContact O-N 3.42Å; R59-R62 WeakPolarHBondContact O-CB 3.32Å; R59-R62 PolarHBondContact O-N 3.19Å; R60-R62 VanDerWaalsContact C-N 3.29Å; R60-R62 PolarHBondContact O-N 3.49Å; R62-A64 VanDerWaalsContact C-N 3.31Å; R62-A64 PolarHBondContact O-N 3.1Å; R62-K65 PolarHBondContact O-N 3.39Å; R62-K65 VanDerWaalsContact O-N 3.12Å; R62-Q66 WeakPolarHBondContact O-CG 3.46Å; R62-Q66 PolarHBondContact O-N 3.07Å |
| 63 | E | 76.7 | Confident | 69.5 | Low | 77 Ų | 77 | 104 Ų | 104 | 36% | 0.36 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.6 | -36.5 | 176 | -70.5 | 175.5 | 175.3 | 0 | 0 | 112.2 | R59 R60 K65 Q66 | R59-E63 HydrophobicContact CG-CG 4.46Å; R59-E63 IonicContact CZ-OE1 3Å; R59-E63 IonicContact NE-OE1 3.36Å; R59-E63 PolarHBondContact NE-OE1 2.86Å; R59-E63 IonicContact NH1-OE1 3.08Å; R59-E63 IonicContact NH2-OE1 2.71Å; R59-E63 PolarHBondContact NH2-OE1 3.39Å; R59-E63 WeakPolarHBondContact O-CG 3.43Å; R59-E63 PolarHBondContact O-N 2.88Å; R60-E63 PolarHBondContact O-N 3.14Å; E63-K65 VanDerWaalsContact C-N 3.3Å; E63-K65 PolarHBondContact O-N 3.04Å; E63-Q66 PolarHBondContact O-N 3.46Å |
| 64 | A | 70.1 | Confident | 68.2 | Low | 85 Ų | 85 | 108.4 Ų | 108.4 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -20 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | R60 R62 | R60-A64 VanDerWaalsContact O-CB 3.25Å; R60-A64 WeakPolarHBondContact O-CB 3.45Å; R60-A64 PolarHBondContact O-N 3.19Å; R62-A64 VanDerWaalsContact C-N 3.31Å; R62-A64 PolarHBondContact O-N 3.1Å |
| 65 | K | 66.5 | Low | 66.9 | Low | 181 Ų | 181 | 115.2 Ų | 115.2 | 79% | 0.787 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -21 | 175.1 | -77 | 175.9 | -177.3 | -176.2 | 0 | 112.8 | A61 R62 E63 | A61-K65 WeakPolarHBondContact O-CB 3.45Å; A61-K65 WeakPolarHBondContact O-CD 3.48Å; A61-K65 VanDerWaalsContact O-CG 3.24Å; A61-K65 WeakPolarHBondContact O-CG 3.45Å; A61-K65 PolarHBondContact O-N 3.3Å; R62-K65 PolarHBondContact O-N 3.39Å; R62-K65 VanDerWaalsContact O-N 3.12Å; E63-K65 VanDerWaalsContact C-N 3.3Å; E63-K65 PolarHBondContact O-N 3.04Å |
| 66 | Q | 62.7 | Low | 65.9 | Low | 131 Ų | 131 | 111.9 Ų | 111.9 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -63.2 | 138.6 | 165.9 | -70.1 | -63.2 | -18.6 | 0 | 0 | 107.8 | R62 E63 A68 | R62-Q66 WeakPolarHBondContact O-CG 3.46Å; R62-Q66 PolarHBondContact O-N 3.07Å; E63-Q66 PolarHBondContact O-N 3.46Å; Q66-A68 PolarHBondContact O-N 3.4Å |
| 67 | P | 53.4 | Low | 64.6 | Low | 108 Ų | 108 | 116.7 Ų | 116.7 | 70% | 0.701 | 63% | 0.626 | S | S | * | * | | | trans | -55.6 | 114.3 | 177.8 | 24.2 | -31.8 | 0 | 0 | 0 | 106.9 | P69 | P67-P69 VanDerWaalsContact O-N 3.14Š|
| 68 | A | 52.7 | Low | 63.1 | Low | 83 Ų | 83 | 117.5 Ų | 117.5 | 69% | 0.686 | 63% | 0.629 | S | S | * | * | | | trans | -49.5 | 126.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 106.3 | Q66 E70 | Q66-A68 PolarHBondContact O-N 3.4Å; A68-E70 PolarHBondContact O-N 3.04Å; A68-E70 VanDerWaalsContact O-N 3.08Å |
| 69 | P | 55 | Low | 61.5 | Low | 103 Ų | 103 | 122 Ų | 122 | 67% | 0.669 | 64% | 0.64 | S | S | * | * | | | trans | -51.5 | 127.2 | 179.1 | 20.7 | -31.3 | 0 | 0 | 0 | 107.2 | P67 | P67-P69 VanDerWaalsContact O-N 3.14Š|
| 70 | E | 51.8 | Low | 59.8 | Low | 135 Ų | 135 | 128.7 Ų | 128.7 | 63% | 0.631 | 67% | 0.673 | S | S | * | * | | | trans | -38.7 | 126 | -172.6 | -92.5 | -167.8 | 145.3 | 0 | 0 | 109.2 | A68 K73 | A68-E70 PolarHBondContact O-N 3.04Å; A68-E70 VanDerWaalsContact O-N 3.08Å; E70-K73 VanDerWaalsContact CD-NZ 3.31Å; E70-K73 IonicContact OE1-NZ 3.62Å; E70-K73 PolarHBondContact OE1-NZ 2.88Å; E70-K73 VanDerWaalsContact OE1-NZ 3.08Å; E70-K73 WeakPolarHBondContact OE2-CE 3.38Å; E70-K73 IonicContact OE2-NZ 3.2Å; E70-K73 PolarHBondContact OE2-NZ 3.35Å |
| 71 | P | 57.4 | Low | 58.4 | Low | 106 Ų | 106 | 128.1 Ų | 128.1 | 69% | 0.688 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -52 | 133.4 | 172.4 | 23.3 | -32.2 | 0 | 0 | 0 | 107 | K73 | P71-K73 PolarHBondContact O-N 2.86Š|
| 72 | P | 55.2 | Low | 56.9 | Low | 95 Ų | 95 | 130.6 Ų | 130.6 | 62% | 0.617 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 116 | -174.1 | 20.5 | -32.1 | 0 | 0 | 0 | 108 | P74 | P72-P74 VanDerWaalsContact O-N 3.11Š|
| 73 | K | 55.6 | Low | 55.4 | Low | 138 Ų | 138 | 127.5 Ų | 127.5 | 60% | 0.6 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 122.3 | 178.3 | -76.3 | 169.8 | 168.6 | 133 | 0 | 106.8 | E70 P71 Y75 | E70-K73 VanDerWaalsContact CD-NZ 3.31Å; E70-K73 IonicContact OE1-NZ 3.62Å; E70-K73 PolarHBondContact OE1-NZ 2.88Å; E70-K73 VanDerWaalsContact OE1-NZ 3.08Å; E70-K73 WeakPolarHBondContact OE2-CE 3.38Å; E70-K73 IonicContact OE2-NZ 3.2Å; E70-K73 PolarHBondContact OE2-NZ 3.35Å; P71-K73 PolarHBondContact O-N 2.86Å; K73-Y75 PolarHBondContact O-N 3.28Å |
| 74 | P | 55.7 | Low | 54.2 | Low | 119 Ų | 119 | 129 Ų | 129 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 120.8 | 176.2 | 24.3 | -31.9 | 0 | 0 | 0 | 106.3 | P72 S76 | P72-P74 VanDerWaalsContact O-N 3.11Å; P74-S76 PolarHBondContact O-N 2.97Å |
| 75 | Y | 52.4 | Low | 52.7 | Low | 195 Ų | 195 | 136.4 Ų | 136.4 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | | | trans | -49.7 | 106.9 | 176.4 | -30.1 | -88.9 | 0 | 0 | 0 | 107 | K73 L77 | K73-Y75 PolarHBondContact O-N 3.28Å; Y75-L77 VanDerWaalsContact C-N 3.29Å; Y75-L77 PolarHBondContact O-N 2.72Å |
| 76 | S | 56.5 | Low | 51.7 | Low | 100 Ų | 100 | 133.2 Ų | 133.2 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | trans | -63 | 103.2 | 165 | 51.9 | 0 | 0 | 0 | 0 | 104.5 | P74 V78 | P74-S76 PolarHBondContact O-N 2.97Å; S76-V78 PolarHBondContact O-N 3.25Å |
| 77 | L | 58.3 | Low | 51.1 | Low | 170 Ų | 170 | 132.5 Ų | 132.5 | 89% | 0.89 | 75% | 0.746 | S | S | * | * | | | trans | -54 | 97.4 | 166.5 | -75.1 | 162.2 | 0 | 0 | 0 | 105.7 | Y75 R79 | Y75-L77 VanDerWaalsContact C-N 3.29Å; Y75-L77 PolarHBondContact O-N 2.72Å; L77-R79 VanDerWaalsContact C-N 3.27Å; L77-R79 PolarHBondContact O-N 2.9Å |
| 78 | V | 50 | Low | 50.8 | Low | 117 Ų | 117 | 133.6 Ų | 133.6 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | | | trans | -63.2 | 99.7 | 171.7 | 175.9 | 0 | 0 | 0 | 0 | 104.5 | S76 E80 | S76-V78 PolarHBondContact O-N 3.25Å; V78-E80 PolarHBondContact O-N 3.08Å |
| 79 | R | 47.5 | Very low | 50.9 | Low | 225 Ų | 225 | 135.2 Ų | 135.2 | 85% | 0.849 | 75% | 0.754 | S | S | * | * | | | trans | -69.6 | 95.6 | 166.9 | -173.3 | 154.7 | -175.3 | 94.2 | -1.1 | 105.4 | L77 S81 | L77-R79 VanDerWaalsContact C-N 3.27Å; L77-R79 PolarHBondContact O-N 2.9Å; R79-S81 PolarHBondContact O-N 3.23Å |
| 80 | E | 46.9 | Very low | 50.5 | Low | 169 Ų | 169 | 139.9 Ų | 139.9 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | | | trans | -45.7 | 129.1 | 171.2 | -76.8 | 176.6 | 66 | 0 | 0 | 109.5 | V78 S82 | V78-E80 PolarHBondContact O-N 3.08Å; E80-S82 PolarHBondContact O-N 3.25Å |
| 81 | S | 48.3 | Very low | 50.5 | Low | 126 Ų | 126 | 142.1 Ų | 142.1 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | | | trans | -42.6 | 116.3 | -176.3 | -52 | 0 | 0 | 0 | 0 | 112.8 | R79 | R79-S81 PolarHBondContact O-N 3.23Š|
| 82 | S | 46.2 | Very low | 50.2 | Low | 101 Ų | 101 | 146.7 Ų | 146.7 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | | | trans | -131.3 | 110.5 | 146.9 | 52.8 | 0 | 0 | 0 | 0 | 110.4 | E80 | E80-S82 PolarHBondContact O-N 3.25Š|
| 83 | S | 44.9 | Very low | 50.1 | Low | 113 Ų | 113 | 151.7 Ų | 151.7 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | | | trans | 69.9 | 94.7 | 134.5 | -166.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 84 | S | 50 | Low | 50.1 | Low | 108 Ų | 108 | 154.5 Ų | 154.5 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | | | | 46.2 | 98.2 | 123.9 | 177.8 | 0 | 0 | 0 | 0 | 118.3 | | |
| 85 | R | 39.7 | Very low | 50.1 | Low | 241 Ų | 241 | 158.4 Ų | 158.4 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | | -173.9 | 114 | 129.5 | -115.1 | 167.5 | 168.2 | 169.4 | -4.2 | 111.5 | | |
| 86 | S | 45.4 | Very low | 50.2 | Low | 114 Ų | 114 | 158.7 Ų | 158.7 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -58.5 | 136.8 | 167.8 | -163.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 87 | P | 49.3 | Very low | 50 | Low | 117 Ų | 117 | 162.8 Ų | 162.8 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | | | trans | -108.5 | 110.8 | 164.8 | 32.9 | -20.3 | 0 | 0 | 0 | 110.2 | | |
| 88 | T | 48.8 | Very low | 49.5 | Very low | 130 Ų | 130 | 163.7 Ų | 163.7 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | | | trans | -61.5 | 148.9 | 167.7 | 41.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 89 | P | 52.8 | Low | 49.4 | Very low | 118 Ų | 118 | 163.7 Ų | 163.7 | 77% | 0.766 | 82% | 0.816 | S | S | * | * | | | trans | -95.4 | 123.3 | 175.9 | 34.3 | -27 | 0 | 0 | 0 | 110.5 | | |
| 90 | K | 48.4 | Very low | 49.4 | Very low | 200 Ų | 200 | 163.6 Ų | 163.6 | 87% | 0.87 | 82% | 0.815 | S | S | * | * | | | trans | 158.3 | 127.4 | 145 | -89.3 | 163.6 | -175.9 | 178.8 | 0 | 109 | | |
| 91 | Q | 51.6 | Low | 49.4 | Very low | 182 Ų | 182 | 159 Ų | 159 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | | | | 174.2 | 111.8 | 118.5 | -76.8 | -116.8 | -23.6 | 0 | 0 | 109.5 | | |
| 92 | K | 50.9 | Low | 49.4 | Very low | 203 Ų | 203 | 165.1 Ų | 165.1 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | | | trans | -58.2 | 131.6 | 158.2 | -82.7 | 178.1 | 170.5 | 176.7 | 0 | 108.6 | | |
| 93 | K | 52.8 | Low | 49.1 | Very low | 199 Ų | 199 | 170.3 Ų | 170.3 | 87% | 0.865 | 82% | 0.822 | S | S | * | * | | | trans | -174.8 | 132.7 | 134.1 | -107.5 | 166.9 | -176.7 | 177.1 | 0 | 114.7 | | |
| 94 | K | 55.4 | Low | 49.2 | Very low | 197 Ų | 197 | 170.4 Ų | 170.4 | 86% | 0.857 | 82% | 0.822 | S | S | * | * | | | trans | 81.5 | 103.6 | 136.6 | -142.7 | 171.7 | -175.5 | 179.2 | 0 | 119.7 | K96 | K94-K96 PolarHBondContact O-N 3.01Š|
| 95 | K | 55 | Low | 49 | Very low | 201 Ų | 201 | 172 Ų | 172 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | trans | -39.5 | 120.8 | 152.4 | -178 | 179 | -176.8 | 177.3 | 0 | 111.7 | | |
| 96 | K | 55.2 | Low | 49.1 | Very low | 201 Ų | 201 | 166.4 Ų | 166.4 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -128.6 | 113.9 | 157.4 | -171.5 | 171.3 | 179.7 | -179.1 | 0 | 108.3 | K94 | K94-K96 PolarHBondContact O-N 3.01Š|
| 97 | K | 52.8 | Low | 49.2 | Very low | 187 Ų | 187 | 166 Ų | 166 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | | | trans | -77.1 | 160.4 | 166.3 | -141.1 | -172.9 | -174.1 | -171.2 | 0 | 107.8 | | |
| 98 | K | 48 | Very low | 49 | Very low | 189 Ų | 189 | 165 Ų | 165 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | | | trans | 101.8 | 133.6 | 169.4 | -157.2 | -179.3 | -172.5 | 177.4 | 0 | 112.6 | | |
| 99 | D | 46.5 | Very low | 48.9 | Very low | 116 Ų | 116 | 165.3 Ų | 165.3 | 62% | 0.62 | 81% | 0.813 | S | S | * | * | | | cis | 177.2 | 162.7 | -13.8 | -161.2 | -14 | 0 | 0 | 0 | 104.7 | | |
| 100 | R | 48.8 | Very low | 48.5 | Very low | 224 Ų | 224 | 170.7 Ų | 170.7 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | | | trans | 60.9 | 111.2 | 162.2 | -56.3 | -179.4 | -175.3 | 163.6 | -4.1 | 118.7 | | |
| 101 | G | 45.8 | Very low | 48.8 | Very low | 73 Ų | 73 | 171.4 Ų | 171.4 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | | | trans | 165 | 79.1 | 153.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 102 | R | 49.9 | Very low | 48.7 | Very low | 253 Ų | 253 | 170.4 Ų | 170.4 | 96% | 0.955 | 81% | 0.81 | S | S | * | * | | | trans | 18.7 | 106.2 | 141.2 | -68.2 | 176.7 | 170.2 | -146.4 | -2.1 | 116.5 | | |
| 103 | R | 39.9 | Very low | 48.9 | Very low | 211 Ų | 211 | 169.5 Ų | 169.5 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | | -168.1 | 106.6 | 117.3 | -140.5 | 167.7 | 166.9 | 155.9 | -2.8 | 110.6 | E105 | R103-E105 HydrophobicContact CG-CG 4.47Å; R103-E105 IonicContact CZ-OE1 2.87Å; R103-E105 IonicContact NE-OE1 3.16Å; R103-E105 PolarHBondContact NE-OE1 3.2Å; R103-E105 IonicContact NH2-OE1 3.43Å; R103-E105 PolarHBondContact NH2-OE1 2.87Å; R103-E105 PolarHBondContact O-N 2.86Å |
| 104 | S | 46 | Very low | 49 | Very low | 115 Ų | 115 | 168.3 Ų | 168.3 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -69.8 | 108.8 | 163.5 | -45 | 0 | 0 | 0 | 0 | 108.3 | | |
| 105 | E | 45.2 | Very low | 49.1 | Very low | 140 Ų | 140 | 167.1 Ų | 167.1 | 65% | 0.654 | 79% | 0.791 | S | S | * | * | | | trans | -137 | 68.3 | 158.7 | -68.2 | -172.9 | -161.4 | 0 | 0 | 108.7 | R103 S107 | R103-E105 HydrophobicContact CG-CG 4.47Å; R103-E105 IonicContact CZ-OE1 2.87Å; R103-E105 IonicContact NE-OE1 3.16Å; R103-E105 PolarHBondContact NE-OE1 3.2Å; R103-E105 IonicContact NH2-OE1 3.43Å; R103-E105 PolarHBondContact NH2-OE1 2.87Å; R103-E105 PolarHBondContact O-N 2.86Å; E105-S107 PolarHBondContact O-N 3.16Å |
| 106 | S | 43.3 | Very low | 49.1 | Very low | 124 Ų | 124 | 163.1 Ų | 163.1 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | | | trans | -51.8 | 102.8 | 148.6 | -49.7 | 0 | 0 | 0 | 0 | 108.3 | | |
| 107 | S | 46.7 | Very low | 48.9 | Very low | 106 Ų | 106 | 158.7 Ų | 158.7 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | trans | -147.8 | 87.5 | 161.7 | -163.5 | 0 | 0 | 0 | 0 | 109.4 | E105 | E105-S107 PolarHBondContact O-N 3.16Š|
| 108 | S | 45.5 | Very low | 49.3 | Very low | 97 Ų | 97 | 159.8 Ų | 159.8 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | | | trans | -47.2 | 143.5 | 159.5 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | R110 | S108-R110 PolarHBondContact O-N 3.16Š|
| 109 | P | 45.5 | Very low | 49.9 | Very low | 136 Ų | 136 | 160.1 Ų | 160.1 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -67.8 | 84.7 | 171.7 | 27.9 | -32.1 | 0 | 0 | 0 | 108.9 | R111 | P109-R111 VanDerWaalsContact C-N 3.34Å; P109-R111 PolarHBondContact O-N 3.1Å |
| 110 | R | 46.3 | Very low | 50.6 | Low | 230 Ų | 230 | 163.3 Ų | 163.3 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | | | trans | -70.4 | 91.1 | 178.7 | -164.7 | 178.6 | -170.1 | -129.8 | 6.7 | 107.5 | S108 E112 | S108-R110 PolarHBondContact O-N 3.16Å; R110-E112 PolarHBondContact O-N 3.46Å |
| 111 | R | 54 | Low | 50.7 | Low | 215 Ų | 215 | 161 Ų | 161 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | | | trans | 1.4 | 90.7 | 150.7 | -149.9 | 176.6 | -172.5 | -169.3 | 3.8 | 112.2 | P109 R113 | P109-R111 VanDerWaalsContact C-N 3.34Å; P109-R111 PolarHBondContact O-N 3.1Å; R111-R113 HydrophobicContact CG-CG 4.33Å; R111-R113 PolarHBondContact O-N 2.88Å |
| 112 | E | 50.1 | Low | 51.1 | Low | 161 Ų | 161 | 166.9 Ų | 166.9 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | | | trans | -65.2 | 88.8 | 170.4 | -86.3 | -150.4 | 151.3 | 0 | 0 | 108.5 | R110 K114 | R110-E112 PolarHBondContact O-N 3.46Å; E112-K114 PolarHBondContact O-N 3.08Å |
| 113 | R | 54 | Low | 51.4 | Low | 185 Ų | 185 | 164.3 Ų | 164.3 | 70% | 0.698 | 79% | 0.791 | S | S | * | * | | | trans | -81.4 | 87.3 | 164.6 | -65 | 178.2 | 78.8 | -164.6 | 9.6 | 107.3 | R111 K115 | R111-R113 HydrophobicContact CG-CG 4.33Å; R111-R113 PolarHBondContact O-N 2.88Å; R113-K115 PolarHBondContact O-N 3.37Å; R113-K115 VanDerWaalsContact O-N 3.16Å |
| 114 | K | 55.4 | Low | 51.9 | Low | 174 Ų | 174 | 158.8 Ų | 158.8 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | | | trans | -79.3 | 92 | 161.5 | -69.2 | -167.2 | -178.5 | 176.8 | 0 | 109 | E112 | E112-K114 PolarHBondContact O-N 3.08Š|
| 115 | K | 57.8 | Low | 52 | Low | 172 Ų | 172 | 162.4 Ų | 162.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -76.9 | 118 | 154.7 | -85.7 | -176.6 | 175.1 | -178.7 | 0 | 107.4 | R113 | R113-K115 PolarHBondContact O-N 3.37Å; R113-K115 VanDerWaalsContact O-N 3.16Å |
| 116 | S | 55 | Low | 52.1 | Low | 117 Ų | 117 | 160.6 Ų | 160.6 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | | | trans | 142.2 | 100.2 | 144.5 | 60.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 117 | S | 50.1 | Low | 52.6 | Low | 108 Ų | 108 | 163.7 Ų | 163.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | | -163.3 | 113.4 | 122 | 57.7 | 0 | 0 | 0 | 0 | 108.6 | K119 | S117-K119 PolarHBondContact O-N 3.17Š|
| 118 | K | 62.2 | Low | 52.8 | Low | 209 Ų | 209 | 163.1 Ų | 163.1 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | | | trans | -66.8 | 83.1 | 171.4 | -179.8 | 170.4 | -178.4 | 170.9 | 0 | 107.8 | K120 | K118-K120 PolarHBondContact O-N 3.01Š|
| 119 | K | 59.9 | Low | 53.4 | Low | 197 Ų | 197 | 167.6 Ų | 167.6 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | | | trans | -81.4 | 118.7 | 169.5 | -106.6 | -175.3 | 177.8 | -177.2 | 0 | 109.3 | S117 | S117-K119 PolarHBondContact O-N 3.17Š|
| 120 | K | 61.9 | Low | 54 | Low | 182 Ų | 182 | 170.6 Ų | 170.6 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -53.2 | 139.9 | 179.5 | -72.2 | 177.6 | 175.1 | 177.3 | 0 | 110.8 | K118 H122 | K118-K120 PolarHBondContact O-N 3.01Å; K120-H122 PolarHBondContact O-N 3.47Å; K120-H122 VanDerWaalsContact O-N 3.16Å |
| 121 | K | 50.3 | Low | 54.6 | Low | 175 Ų | 175 | 171 Ų | 171 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | | | trans | -46 | 107.6 | 162.6 | -161 | 178.6 | -169.3 | 176.8 | 0 | 109.4 | R123 | K121-R123 HydrophobicContact CG-CB 4.47Å; K121-R123 PolarHBondContact O-N 3.42Å |
| 122 | H | 54.4 | Low | 54.6 | Low | 198 Ų | 198 | 170 Ų | 170 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | | | trans | -77.1 | 88.2 | 161.1 | -78 | -80.6 | 0 | 0 | 0 | 107.7 | K120 | K120-H122 PolarHBondContact O-N 3.47Å; K120-H122 VanDerWaalsContact O-N 3.16Å |
| 123 | R | 56 | Low | 55.2 | Low | 198 Ų | 198 | 172 Ų | 172 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | | | trans | -89.6 | 114.9 | 161.9 | -173.6 | 170 | 179.8 | 95.4 | -7.4 | 105.6 | K121 | K121-R123 HydrophobicContact CG-CB 4.47Å; K121-R123 PolarHBondContact O-N 3.42Å |
| 124 | S | 49.5 | Very low | 55.2 | Low | 95 Ų | 95 | 174.8 Ų | 174.8 | 66% | 0.664 | 82% | 0.818 | S | S | * | * | | | trans | 65.4 | 114.1 | 156.2 | 52.3 | 0 | 0 | 0 | 0 | 121.3 | | |
| 125 | E | 48.5 | Very low | 55.3 | Low | 191 Ų | 191 | 170.4 Ų | 170.4 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | | | trans | -141.1 | 101.5 | 138 | -67.4 | -173.1 | 165.5 | 0 | 0 | 106.1 | | |
| 126 | S | 48.9 | Very low | 55.6 | Low | 102 Ų | 102 | 168.6 Ų | 168.6 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | | | | 65.4 | 66.6 | 80.7 | -56.6 | 0 | 0 | 0 | 0 | 114.1 | S128 | S126-S128 PolarHBondContact O-N 3.07Š|
| 127 | E | 53.2 | Low | 55.8 | Low | 189 Ų | 189 | 167.9 Ų | 167.9 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -81.2 | 66.3 | 159.3 | -150.1 | -177.7 | -171.1 | 0 | 0 | 109.9 | K129 | E127-K129 PolarHBondContact O-N 3.39Š|
| 128 | S | 51.4 | Low | 56.3 | Low | 94 Ų | 94 | 168.6 Ų | 168.6 | 66% | 0.657 | 81% | 0.808 | S | S | * | * | | | trans | -93.3 | 73.6 | 174.4 | 57.5 | 0 | 0 | 0 | 0 | 110.3 | S126 K130 | S126-S128 PolarHBondContact O-N 3.07Å; S128-K130 PolarHBondContact O-N 3.07Å |
| 129 | K | 58 | Low | 56 | Low | 192 Ų | 192 | 168.5 Ų | 168.5 | 84% | 0.835 | 81% | 0.807 | S | S | * | * | | | trans | -88.5 | 99.5 | 160.3 | -78.4 | -177.4 | -179.8 | 169.8 | 0 | 109 | E127 R131 | E127-K129 PolarHBondContact O-N 3.39Å; K129-R131 PolarHBondContact O-N 3.2Å |
| 130 | K | 56.6 | Low | 55.6 | Low | 199 Ų | 199 | 164 Ų | 164 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | -51.2 | 100.7 | 173.8 | -61.5 | 174.4 | 179.7 | 177.1 | 0 | 111.6 | S128 | S128-K130 PolarHBondContact O-N 3.07Š|
| 131 | R | 58.6 | Low | 55.6 | Low | 238 Ų | 238 | 165.6 Ų | 165.6 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | | | trans | -141.5 | 96.4 | 144.5 | -69.2 | -171.8 | 86.5 | -165.4 | 5.1 | 109.7 | K129 | K129-R131 PolarHBondContact O-N 3.2Š|
| 132 | K | 55.3 | Low | 55.6 | Low | 195 Ų | 195 | 168.2 Ų | 168.2 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | | | trans | 32.1 | 104.7 | 153.1 | -59.5 | -173.6 | 179.4 | -175.4 | 0 | 117.1 | R134 | K132-R134 PolarHBondContact O-N 2.76Å; K132-R134 VanDerWaalsContact O-N 3.14Å |
| 133 | H | 62.6 | Low | 55.8 | Low | 203 Ų | 203 | 168.4 Ų | 168.4 | 94% | 0.94 | 81% | 0.811 | S | S | * | * | | | trans | 4.6 | 91.1 | 151.4 | -54.9 | -77.3 | 0 | 0 | 0 | 116.2 | | |
| 134 | R | 53 | Low | 55.6 | Low | 242 Ų | 242 | 164.4 Ų | 164.4 | 91% | 0.913 | 81% | 0.813 | S | S | * | * | | | trans | -134.6 | 92.2 | 153.2 | -156.4 | 148 | -170.7 | 153.9 | 0.3 | 107 | K132 | K132-R134 PolarHBondContact O-N 2.76Å; K132-R134 VanDerWaalsContact O-N 3.14Å |
| 135 | S | 58.4 | Low | 56.2 | Low | 82 Ų | 82 | 168.6 Ų | 168.6 | 57% | 0.573 | 82% | 0.82 | S | S | * | * | | | trans | -50.9 | 137.3 | 178 | 35.2 | 0 | 0 | 0 | 0 | 110.5 | T137 | S135-T137 PolarHBondContact O-N 2.9Š|
| 136 | P | 63.3 | Low | 56.4 | Low | 135 Ų | 135 | 166.1 Ų | 166.1 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -78.3 | 71.5 | 170.2 | 32.8 | -30.3 | 0 | 0 | 0 | 107.9 | | |
| 137 | T | 60.3 | Low | 56.9 | Low | 102 Ų | 102 | 169.9 Ų | 169.9 | 63% | 0.626 | 82% | 0.816 | S | S | * | * | | | trans | -81.4 | 125.3 | 169.1 | 51.8 | 0 | 0 | 0 | 0 | 108.4 | S135 K139 | S135-T137 PolarHBondContact O-N 2.9Å; T137-K139 PolarHBondContact O-N 3.41Å |
| 138 | P | 59.9 | Low | 56.9 | Low | 123 Ų | 123 | 170.1 Ų | 170.1 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | | | trans | -61.6 | 128.8 | 173.4 | 26.2 | -32.1 | 0 | 0 | 0 | 108.6 | S140 | P138-S140 PolarHBondContact O-N 3.48Š|
| 139 | K | 56.4 | Low | 56.9 | Low | 207 Ų | 207 | 176.5 Ų | 176.5 | 90% | 0.9 | 82% | 0.824 | S | S | * | * | | | trans | -60 | 98.1 | 179.7 | -73.7 | -173.7 | 177.4 | 169.8 | 0 | 109.8 | T137 K141 | T137-K139 PolarHBondContact O-N 3.41Å; K139-K141 PolarHBondContact O-N 3.37Å |
| 140 | S | 50.5 | Low | 56.6 | Low | 103 Ų | 103 | 177.1 Ų | 177.1 | 72% | 0.72 | 83% | 0.827 | S | S | * | * | | | trans | -67.2 | 115 | 160.6 | 58.8 | 0 | 0 | 0 | 0 | 107.8 | P138 R142 | P138-S140 PolarHBondContact O-N 3.48Å; S140-R142 PolarHBondContact O-N 2.77Å |
| 141 | K | 61.6 | Low | 56.1 | Low | 214 Ų | 214 | 178.7 Ų | 178.7 | 93% | 0.93 | 83% | 0.827 | S | S | * | * | | | trans | -66.6 | 80.8 | 168.8 | -82.8 | -178.6 | 175.9 | 171.2 | 0 | 108.6 | K139 K143 | K139-K141 PolarHBondContact O-N 3.37Å; K141-K143 PolarHBondContact O-N 3.39Å |
| 142 | R | 52.2 | Low | 55.7 | Low | 231 Ų | 231 | 172.5 Ų | 172.5 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | | | trans | -84.7 | 105.4 | 171.1 | -163.9 | 174.2 | 171 | -168.2 | -3.1 | 108.3 | S140 S144 | S140-R142 PolarHBondContact O-N 2.77Å; R142-S144 PolarHBondContact O-N 3.26Å |
| 143 | K | 57.8 | Low | 55 | Low | 201 Ų | 201 | 175 Ų | 175 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | | | trans | -53.4 | 116.8 | 167.6 | -72.7 | -91.4 | -174.5 | 172.3 | 0 | 108.9 | K141 K145 | K141-K143 PolarHBondContact O-N 3.39Å; K143-K145 PolarHBondContact O-N 3.05Å |
| 144 | S | 51.4 | Low | 54.3 | Low | 114 Ų | 114 | 170.5 Ų | 170.5 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | | | trans | -80.1 | 104.6 | 168.5 | 53.8 | 0 | 0 | 0 | 0 | 109 | R142 D146 | R142-S144 PolarHBondContact O-N 3.26Å; S144-D146 PolarHBondContact O-N 3.22Å |
| 145 | K | 62.7 | Low | 53.9 | Low | 184 Ų | 184 | 165.6 Ų | 165.6 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | | | trans | -88.2 | 94.5 | 159.5 | -169.6 | 172.6 | -174.9 | 172.3 | 0 | 107.2 | K143 K147 | K143-K145 PolarHBondContact O-N 3.05Å; K145-K147 PolarHBondContact O-N 3.45Å |
| 146 | D | 52.1 | Low | 53.5 | Low | 139 Ų | 139 | 168.2 Ų | 168.2 | 74% | 0.743 | 83% | 0.825 | S | S | * | * | | | trans | -70 | 113.8 | 168.6 | -147.1 | -32.9 | 0 | 0 | 0 | 108 | S144 | S144-D146 PolarHBondContact O-N 3.22Š|
| 147 | K | 59.3 | Low | 52.8 | Low | 181 Ų | 181 | 168 Ų | 168 | 79% | 0.787 | 83% | 0.825 | S | S | * | * | | | trans | -133.3 | 101.1 | 163 | -107.6 | -169.6 | 177.7 | -172.9 | 0 | 108.4 | K145 R149 | K145-K147 PolarHBondContact O-N 3.45Å; K147-R149 PolarHBondContact O-N 3.49Å |
| 148 | K | 54.3 | Low | 52.5 | Low | 194 Ų | 194 | 167.4 Ų | 167.4 | 84% | 0.843 | 83% | 0.829 | S | S | * | * | | | trans | -47.9 | 114.8 | 172.9 | -74.4 | -178.6 | 175.1 | 176.9 | 0 | 112.4 | | |
| 149 | R | 50.1 | Low | 52 | Low | 227 Ų | 227 | 167.1 Ų | 167.1 | 86% | 0.857 | 83% | 0.828 | S | S | * | * | | | | 14.7 | 112.2 | 125.1 | -172.3 | 176.2 | 153.2 | -148 | -5.2 | 116.9 | K147 | K147-R149 PolarHBondContact O-N 3.49Š|
| 150 | K | 52.8 | Low | 51.8 | Low | 206 Ų | 206 | 167.3 Ų | 167.3 | 90% | 0.896 | 83% | 0.829 | S | S | * | * | | | trans | -137.9 | 124.8 | 136 | -70.5 | -63.8 | -179.6 | 170.4 | 0 | 110.1 | | |
| 151 | R | 45.6 | Very low | 52 | Low | 232 Ų | 232 | 167.8 Ų | 167.8 | 88% | 0.875 | 83% | 0.832 | S | S | * | * | | | trans | -39.4 | 142.7 | 151.9 | -96.7 | 171 | 159.8 | 160 | -7.5 | 108.4 | | |
| 152 | S | 51.2 | Low | 51.6 | Low | 108 Ų | 108 | 169.3 Ų | 169.3 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | | | cis | 176.4 | 139 | 41.4 | 28.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 153 | R | 39.7 | Very low | 51.4 | Low | 246 Ų | 246 | 170.1 Ų | 170.1 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | | | | 174.4 | 126 | 126.4 | -114.6 | 174.3 | 170.4 | 153.3 | -4.6 | 110.9 | | |
| 154 | S | 47.3 | Very low | 50.9 | Low | 109 Ų | 109 | 165 Ų | 165 | 76% | 0.762 | 83% | 0.831 | S | S | * | * | | | trans | -63.8 | 131.1 | 171.9 | 44.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 155 | T | 44.6 | Very low | 50.7 | Low | 140 Ų | 140 | 168.6 Ų | 168.6 | 86% | 0.859 | 83% | 0.834 | S | S | * | * | | | trans | -159.5 | 92.4 | 148.4 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 156 | T | 50.9 | Low | 49.9 | Very low | 136 Ų | 136 | 171.3 Ų | 171.3 | 83% | 0.834 | 84% | 0.839 | S | S | * | * | | | trans | -127.7 | 147.2 | 146.9 | 51.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 157 | P | 48.5 | Very low | 49.8 | Very low | 132 Ų | 132 | 169.4 Ų | 169.4 | 86% | 0.857 | 84% | 0.837 | S | S | * | * | | | | -134.7 | 129.9 | 115.6 | 33.8 | -21.8 | 0 | 0 | 0 | 111.5 | | |
| 158 | A | 54.1 | Low | 49.2 | Very low | 88 Ų | 88 | 166.5 Ų | 166.5 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | | | trans | -95.5 | 147.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 159 | P | 48.8 | Very low | 48.8 | Very low | 118 Ų | 118 | 162.7 Ų | 162.7 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | | | | -156.3 | 153.6 | 75.1 | 36.7 | -15.8 | 0 | 0 | 0 | 116.3 | | |
| 160 | K | 52.5 | Low | 48.8 | Very low | 211 Ų | 211 | 156.6 Ų | 156.6 | 92% | 0.917 | 83% | 0.831 | S | S | * | * | | | trans | -135.8 | 126.6 | 149.7 | -74.6 | -169.2 | -179.6 | 174.1 | 0 | 111 | | |
| 161 | S | 54.8 | Low | 48.5 | Very low | 113 Ų | 113 | 153.8 Ų | 153.8 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | | | trans | -67.6 | 144.2 | -180 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 162 | R | 52.3 | Low | 48.5 | Very low | 245 Ų | 245 | 148.5 Ų | 148.5 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | | | trans | -152.5 | 90.2 | 147.6 | -105.9 | 179.8 | 166.4 | 170.7 | -5.6 | 109.7 | | |
| 163 | R | 49 | Very low | 48.4 | Very low | 248 Ų | 248 | 147.7 Ų | 147.7 | 94% | 0.936 | 82% | 0.824 | S | S | * | * | | | trans | 39.2 | 102.7 | 130.9 | -162.3 | -179.5 | -158.2 | -164.9 | 5.8 | 116.9 | | |
| 164 | A | 46.9 | Very low | 48.5 | Very low | 95 Ų | 95 | 141.3 Ų | 141.3 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | | | | 175.9 | 78.3 | 124.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 165 | H | 47.8 | Very low | 48.4 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 87% | 0.87 | 81% | 0.814 | S | S | * | * | | | trans | -85.4 | 106.4 | 151.1 | -69.7 | -71.9 | 0 | 0 | 0 | 107.3 | | |
| 166 | R | 45.4 | Very low | 48.4 | Very low | 242 Ų | 242 | 139.4 Ų | 139.4 | 91% | 0.913 | 81% | 0.809 | S | S | * | * | | | trans | -124.1 | 86.6 | 152.5 | -103 | -175.7 | 175.4 | -121.2 | 2 | 106.9 | | |
| 167 | S | 50.8 | Low | 48.3 | Very low | 98 Ų | 98 | 139.1 Ų | 139.1 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | | | trans | -64.3 | 139 | 149.1 | -42.5 | 0 | 0 | 0 | 0 | 107.4 | | |
| 168 | T | 45.7 | Very low | 48.1 | Very low | 121 Ų | 121 | 139 Ų | 139 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | 160.7 | 123.2 | 133.7 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 169 | S | 46.8 | Very low | 47.6 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -5.3 | 127.4 | 140.1 | 51.1 | 0 | 0 | 0 | 0 | 116.8 | | |
| 170 | A | 48.6 | Very low | 47.4 | Very low | 100 Ų | 100 | 144.6 Ų | 144.6 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | | | trans | -152.2 | 114.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 171 | D | 46.1 | Very low | 46.9 | Very low | 147 Ų | 147 | 139 Ų | 139 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | | | trans | -45.9 | 142.8 | 155.9 | -128.3 | -71.2 | 0 | 0 | 0 | 111.6 | | |
| 172 | S | 46.1 | Very low | 46.6 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | | | trans | -164.9 | 83 | 153.1 | -77.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 173 | A | 50.3 | Low | 46.3 | Very low | 91 Ų | 91 | 138.3 Ų | 138.3 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | -60.3 | 133.2 | 146.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 174 | S | 41.6 | Very low | 46.3 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | | | trans | 154.5 | 134.5 | 160.1 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 175 | S | 43.9 | Very low | 46.2 | Very low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | | | cis | -177.8 | 142.5 | -9.3 | 56.7 | 0 | 0 | 0 | 0 | 104.2 | | |
| 176 | S | 46.2 | Very low | 46.1 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | | | trans | -175.7 | 96.7 | 140.1 | 50.3 | 0 | 0 | 0 | 0 | 109.8 | T178 | S176-T178 PolarHBondContact O-N 3.13Š|
| 177 | D | 47.5 | Very low | 45.8 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | | | trans | -39 | 118.1 | 153.3 | -161.8 | -63.1 | 0 | 0 | 0 | 111.5 | S179 | D177-S179 WeakPolarHBondContact OD1-CB 3.43Å; D177-S179 PolarHBondContact OD1-N 3.5Å; D177-S179 PolarHBondContact OD1-OG 2.97Å |
| 178 | T | 45 | Very low | 45.4 | Very low | 129 Ų | 129 | 127.7 Ų | 127.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -118.8 | 74.6 | 154 | 67.8 | 0 | 0 | 0 | 0 | 108.1 | S176 R180 | S176-T178 PolarHBondContact O-N 3.13Å; T178-R180 PolarHBondContact O-N 3.39Å |
| 179 | S | 43 | Very low | 45.6 | Very low | 86 Ų | 86 | 131 Ų | 131 | 60% | 0.601 | 78% | 0.784 | S | S | * | * | | | trans | -54 | 90.6 | 154.5 | -66.1 | 0 | 0 | 0 | 0 | 108.9 | D177 S181 | D177-S179 WeakPolarHBondContact OD1-CB 3.43Å; D177-S179 PolarHBondContact OD1-N 3.5Å; D177-S179 PolarHBondContact OD1-OG 2.97Å; S179-S181 PolarHBondContact O-N 2.86Å |
| 180 | R | 44 | Very low | 45.3 | Very low | 238 Ų | 238 | 131.1 Ų | 131.1 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | trans | -79.3 | 81.7 | 170.3 | -143.6 | 171.4 | -172 | 150.8 | 1.1 | 107.5 | T178 R182 | T178-R180 PolarHBondContact O-N 3.39Å; R180-R182 PolarHBondContact O-N 2.92Å |
| 181 | S | 42.9 | Very low | 45.1 | Very low | 95 Ų | 95 | 136 Ų | 136 | 66% | 0.664 | 79% | 0.785 | S | S | * | * | | | trans | -43.1 | 104.3 | 170.3 | -54.7 | 0 | 0 | 0 | 0 | 110.1 | S179 S183 | S179-S181 PolarHBondContact O-N 2.86Å; S181-S183 PolarHBondContact O-N 2.93Å |
| 182 | R | 49.6 | Very low | 44.8 | Very low | 241 Ų | 241 | 134.9 Ų | 134.9 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -77.7 | 71.7 | 164.8 | -78.4 | -179.6 | 172.4 | 152.8 | -1.4 | 108.2 | R180 R184 | R180-R182 PolarHBondContact O-N 2.92Å; R182-R184 VanDerWaalsContact C-N 3.29Å; R182-R184 PolarHBondContact O-N 3.01Å; R182-R184 VanDerWaalsContact O-N 3.1Å |
| 183 | S | 44.6 | Very low | 44.5 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | -76.5 | 85.2 | 162.5 | -55.2 | 0 | 0 | 0 | 0 | 107.8 | S181 | S181-S183 PolarHBondContact O-N 2.93Š|
| 184 | R | 50 | Low | 43.7 | Very low | 243 Ų | 243 | 135 Ų | 135 | 92% | 0.917 | 78% | 0.778 | S | S | * | * | | | trans | -106.3 | 80.9 | 163.3 | -78.6 | -171.9 | 172 | 171.5 | -2.7 | 108.1 | R182 | R182-R184 VanDerWaalsContact C-N 3.29Å; R182-R184 PolarHBondContact O-N 3.01Å; R182-R184 VanDerWaalsContact O-N 3.1Å |
| 185 | S | 44.8 | Very low | 43.7 | Very low | 112 Ų | 112 | 137.8 Ų | 137.8 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | -96.7 | 113 | 165.6 | -41 | 0 | 0 | 0 | 0 | 108.3 | | |
| 186 | A | 44.4 | Very low | 43.4 | Very low | 100 Ų | 100 | 137.9 Ų | 137.9 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | | | trans | 37.6 | 113.2 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 187 | A | 40.1 | Very low | 43.1 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | | -158.5 | 119 | 126.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 188 | A | 42.2 | Very low | 42.6 | Very low | 88 Ų | 88 | 141.6 Ų | 141.6 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -65.3 | 160.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 189 | K | 50.2 | Low | 42.7 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | | | trans | 142.3 | 98.4 | 144.6 | -76.6 | 162.2 | -177.4 | -172.2 | 0 | 110.5 | | |
| 190 | T | 40.9 | Very low | 43.2 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 71% | 0.712 | 81% | 0.809 | S | S | * | * | | | | 63.5 | 110.7 | 101.2 | 58.2 | 0 | 0 | 0 | 0 | 113.4 | T192 | T190-T192 PolarHBondContact O-N 3.4Š|
| 191 | H | 42.8 | Very low | 42.9 | Very low | 201 Ų | 201 | 136 Ų | 136 | 93% | 0.931 | 80% | 0.801 | S | S | * | * | | | trans | -70.1 | 114.4 | 166.8 | -63.4 | -83.6 | 0 | 0 | 0 | 109.4 | | |
| 192 | T | 40.1 | Very low | 43.3 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | | | trans | -138.8 | 142.5 | 164.4 | 52.1 | 0 | 0 | 0 | 0 | 110.4 | T190 | T190-T192 PolarHBondContact O-N 3.4Š|
| 193 | T | 39.3 | Very low | 42.7 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -61.4 | 164.6 | -174.5 | 48.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 194 | A | 35.4 | Very low | 42.6 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 65% | 0.653 | 81% | 0.812 | S | S | * | * | | | trans | 100.1 | 115.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 195 | L | 41.6 | Very low | 41.9 | Very low | 171 Ų | 171 | 123.5 Ų | 123.5 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | | | | 74.1 | 148.6 | 128.9 | -58.6 | 173.5 | 0 | 0 | 0 | 121.1 | | |
| 196 | A | 36.3 | Very low | 41.5 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | | | trans | 84.3 | 113.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 197 | G | 40.9 | Very low | 41.2 | Very low | 76 Ų | 76 | 134.2 Ų | 134.2 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | trans | -75.7 | 163.4 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 198 | R | 37.4 | Very low | 41.1 | Very low | 241 Ų | 241 | 132.9 Ų | 132.9 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | -172 | 122.3 | 147.4 | -156.2 | 122.1 | 161.9 | -100.3 | -2.4 | 107.6 | | |
| 199 | S | 46.2 | Very low | 41 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | | | trans | -65 | 157.8 | 165.2 | 33.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 200 | P | 52.5 | Low | 40.5 | Very low | 125 Ų | 125 | 131.7 Ų | 131.7 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | | | trans | -128.7 | 121.2 | 140.3 | 32.3 | -19.3 | 0 | 0 | 0 | 111.4 | | |
| 201 | S | 38.7 | Very low | 40.3 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -68.3 | 147.8 | 161.7 | -32.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 202 | P | 51.9 | Low | 40.4 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | | | trans | -103.2 | 114 | 154.4 | 31.4 | -22.9 | 0 | 0 | 0 | 110.1 | | |
| 203 | A | 36.9 | Very low | 40.9 | Very low | 90 Ų | 90 | 127.9 Ų | 127.9 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | | | trans | -113.8 | 157.2 | 161.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 204 | S | 41.9 | Very low | 40.6 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | | | trans | 93.5 | 122.6 | -173.7 | 81.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 205 | G | 35.6 | Very low | 40.6 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | | | cis | 151.4 | 136.4 | -2.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 206 | R | 37.2 | Very low | 40.6 | Very low | 219 Ų | 219 | 132.4 Ų | 132.4 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | trans | 73.7 | 136.9 | 152.5 | -51.3 | -169.6 | -179.5 | -95.5 | 3.8 | 115.4 | | |
| 207 | R | 38.2 | Very low | 41.2 | Very low | 218 Ų | 218 | 133.2 Ų | 133.2 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | | | cis | -152.8 | 144.4 | 19.4 | -63.8 | -174.8 | -175 | -91 | 3.9 | 108.4 | | |
| 208 | G | 36.2 | Very low | 40.8 | Very low | 76 Ų | 76 | 133 Ų | 133 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | | 105.9 | 109.5 | 97 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 209 | E | 39.9 | Very low | 41.2 | Very low | 188 Ų | 188 | 128 Ų | 128 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | | 177.4 | 132.1 | 88.4 | -102.1 | -82.7 | 139.6 | 0 | 0 | 104.9 | | |
| 210 | G | 39.8 | Very low | 41 | Very low | 66 Ų | 66 | 129.1 Ų | 129.1 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | | | | 64.1 | 93.9 | 95.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 211 | D | 37.4 | Very low | 40.8 | Very low | 167 Ų | 167 | 128.5 Ų | 128.5 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | | | | -167.2 | 168.6 | 85.4 | -136.6 | -61.8 | 0 | 0 | 0 | 112.8 | | |
| 212 | A | 44.1 | Very low | 40.8 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 68% | 0.678 | 79% | 0.794 | S | S | * | * | | | trans | -59.6 | 168.4 | -152.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 213 | P | 50.6 | Low | 40.3 | Very low | 112 Ų | 112 | 131.9 Ų | 131.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -98.4 | 167.5 | -178.7 | 38.8 | -31.2 | 0 | 0 | 0 | 114.3 | | |
| 214 | F | 34.7 | Very low | 41.1 | Very low | 197 Ų | 197 | 138 Ų | 138 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | 83.5 | 109.7 | 147.5 | -125.3 | -95 | 0 | 0 | 0 | 118.8 | | |
| 215 | S | 35.4 | Very low | 41.7 | Very low | 109 Ų | 109 | 137.8 Ų | 137.8 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | | 170.6 | 114.1 | 114.9 | 63.4 | 0 | 0 | 0 | 0 | 112.1 | | |
| 216 | E | 41.1 | Very low | 41.9 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -103.5 | 164.4 | 144.3 | -77.7 | -80.4 | 156.7 | 0 | 0 | 105.8 | | |
| 217 | P | 47.9 | Very low | 42.3 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 77% | 0.766 | 79% | 0.785 | S | S | * | * | | | cis | -133.7 | 160.4 | 9.8 | 37 | -18.4 | 0 | 0 | 0 | 114.4 | | |
| 218 | G | 33.5 | Very low | 43 | Very low | 73 Ų | 73 | 128 Ų | 128 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | trans | -142.7 | 91.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 219 | T | 46 | Very low | 43.1 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -72.3 | 119.8 | 172.2 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 220 | T | 42.4 | Very low | 43.5 | Very low | 130 Ų | 130 | 130.2 Ų | 130.2 | 80% | 0.798 | 78% | 0.776 | S | S | * | * | | | trans | -154.1 | 105 | 146.4 | 49.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 221 | S | 46.8 | Very low | 43.6 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | | | | 61.2 | 93.8 | 104.2 | -170.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 222 | T | 38.4 | Very low | 43.8 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 83% | 0.828 | 77% | 0.772 | S | S | * | * | | | trans | -153.7 | 97 | 145 | -68.7 | 0 | 0 | 0 | 0 | 109 | | |
| 223 | Q | 42.6 | Very low | 44.1 | Very low | 173 Ų | 173 | 135.2 Ų | 135.2 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | | | trans | 40.5 | 97 | 140.5 | -59 | -143.2 | 5.5 | 0 | 0 | 119.7 | P225 | Q223-P225 WeakPolarHBondContact O-CD 3.41Š|
| 224 | R | 52.5 | Low | 44 | Very low | 219 Ų | 219 | 137.6 Ų | 137.6 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | | | trans | -51.8 | 128.9 | 137.2 | -169.6 | -179.5 | -167.7 | -125.5 | 5 | 110.6 | | |
| 225 | P | 56.1 | Low | 44.9 | Very low | 124 Ų | 124 | 133.8 Ų | 133.8 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | | | trans | -94.1 | 110.3 | 148.5 | 29.2 | -26.4 | 0 | 0 | 0 | 108.7 | Q223 | Q223-P225 WeakPolarHBondContact O-CD 3.41Š|
| 226 | S | 39.9 | Very low | 45.5 | Very low | 78 Ų | 78 | 134.2 Ų | 134.2 | 55% | 0.545 | 78% | 0.783 | S | S | . | * | | | trans | -55.9 | 138.9 | 164.8 | 43.2 | 0 | 0 | 0 | 0 | 112 | P228 | S226-P228 WeakPolarHBondContact O-CD 3.31Š|
| 227 | S | 45 | Very low | 46.1 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | | | trans | -52.7 | 139 | 149.2 | -52.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 228 | P | 51.9 | Low | 46.5 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | | | | -129 | 159.2 | 121.3 | 12.6 | 9.7 | 0 | 0 | 0 | 107.8 | S226 | S226-P228 WeakPolarHBondContact O-CD 3.31Š|
| 229 | E | 39.6 | Very low | 46.7 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | cis | -172.9 | 152.1 | 16.8 | -111.6 | 158.4 | 167.7 | 0 | 0 | 105.7 | A231 | E229-A231 PolarHBondContact O-N 3.27Š|
| 230 | T | 46.8 | Very low | 47 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 81% | 0.81 | 78% | 0.777 | S | S | * | * | | | trans | -69 | 103.5 | 167.7 | 46.1 | 0 | 0 | 0 | 0 | 109.8 | T232 | T230-T232 PolarHBondContact O-N 3.4Š|
| 231 | A | 41.8 | Very low | 47.5 | Very low | 95 Ų | 95 | 138.3 Ų | 138.3 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | trans | -86 | 91.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | E229 K233 | E229-A231 PolarHBondContact O-N 3.27Å; A231-K233 PolarHBondContact O-N 3.25Å |
| 232 | T | 43.2 | Very low | 47.8 | Very low | 117 Ų | 117 | 140.4 Ų | 140.4 | 72% | 0.718 | 77% | 0.767 | S | S | * | * | | | trans | -56.8 | 106.9 | 160.2 | 22.3 | 0 | 0 | 0 | 0 | 109.6 | T230 Q234 | T230-T232 PolarHBondContact O-N 3.4Å; T232-Q234 PolarHBondContact O-N 3.16Å |
| 233 | K | 50.3 | Low | 48.5 | Very low | 208 Ų | 208 | 140.7 Ų | 140.7 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | | | trans | -76.7 | 98 | 166 | -72.9 | -176.2 | 177.4 | -176.1 | 0 | 108.8 | A231 | A231-K233 PolarHBondContact O-N 3.25Š|
| 234 | Q | 48.6 | Very low | 49.1 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 144.8 | 160 | -68.9 | -70.3 | -39.3 | 0 | 0 | 109.2 | T232 | T232-Q234 PolarHBondContact O-N 3.16Š|
| 235 | P | 52.2 | Low | 49.1 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 132.7 | 177.7 | 29.7 | -32.5 | 0 | 0 | 0 | 110.7 | | |
| 236 | S | 49 | Very low | 49 | Very low | 119 Ų | 119 | 139.6 Ų | 139.6 | 83% | 0.832 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 133.6 | 172.7 | 52 | 0 | 0 | 0 | 0 | 111 | | |
| 237 | S | 53.5 | Low | 49.7 | Very low | 103 Ų | 103 | 146 Ų | 146 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 157.3 | 175.2 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 238 | P | 56.1 | Low | 50.3 | Low | 118 Ų | 118 | 148.8 Ų | 148.8 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 134.9 | 173.4 | 30.9 | -31.4 | 0 | 0 | 0 | 110.7 | E240 | P238-E240 PolarHBondContact O-N 3.46Š|
| 239 | Y | 38.1 | Very low | 50.2 | Low | 205 Ų | 205 | 150.7 Ų | 150.7 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -82.2 | 107.6 | 170.8 | -163.7 | -97.2 | 0 | 0 | 0 | 107.8 | D241 | Y239-D241 HydrophobicContact CD1-CB 3.88Å; Y239-D241 HydrophobicContact CE1-CB 3.67Å |
| 240 | E | 52.1 | Low | 50.8 | Low | 162 Ų | 162 | 147.9 Ų | 147.9 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | | | trans | -75.9 | 112.3 | 160.8 | -74.1 | -94.2 | 133.5 | 0 | 0 | 106.9 | P238 | P238-E240 PolarHBondContact O-N 3.46Š|
| 241 | D | 53.3 | Low | 51 | Low | 127 Ų | 127 | 151 Ų | 151 | 68% | 0.679 | 81% | 0.808 | S | S | * | * | | | trans | -114.1 | 112.6 | 160.9 | -152.9 | 19.7 | 0 | 0 | 0 | 107.8 | Y239 | Y239-D241 HydrophobicContact CD1-CB 3.88Å; Y239-D241 HydrophobicContact CE1-CB 3.67Å |
| 242 | K | 53.7 | Low | 51.5 | Low | 157 Ų | 157 | 153.8 Ų | 153.8 | 68% | 0.683 | 81% | 0.809 | S | S | * | * | | | trans | -74.1 | 175.2 | 168.6 | -69.1 | -174.7 | 174.4 | 178.6 | 0 | 108.4 | | |
| 243 | D | 52.6 | Low | 51.9 | Low | 140 Ų | 140 | 155.7 Ų | 155.7 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | | | trans | 92.7 | 77.2 | 168.4 | -46.9 | -34.4 | 0 | 0 | 0 | 116.3 | | |
| 244 | K | 55 | Low | 52 | Low | 213 Ų | 213 | 152.8 Ų | 152.8 | 93% | 0.926 | 81% | 0.809 | S | S | * | * | | | trans | -123.3 | 91.2 | 131.8 | -79.2 | -170.9 | 179 | 175.8 | 0 | 110.5 | | |
| 245 | D | 51.8 | Low | 52.2 | Low | 117 Ų | 117 | 152.3 Ų | 152.3 | 63% | 0.626 | 81% | 0.812 | S | S | * | * | | | trans | -46.4 | 136.8 | 156.8 | -102.3 | -45.8 | 0 | 0 | 0 | 112.4 | | |
| 246 | K | 55.2 | Low | 52.2 | Low | 164 Ų | 164 | 154.5 Ų | 154.5 | 71% | 0.713 | 82% | 0.815 | S | S | * | * | | | trans | 58.9 | 108.5 | 136.1 | -62.9 | 168 | -177.5 | 117.4 | 0 | 118.6 | | |
| 247 | K | 53.1 | Low | 52.4 | Low | 211 Ų | 211 | 156.9 Ų | 156.9 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | | | | -141 | 101.3 | 117.7 | -84.9 | -160 | 176.2 | 179.3 | 0 | 110 | | |
| 248 | E | 57.2 | Low | 52.3 | Low | 180 Ų | 180 | 160.7 Ų | 160.7 | 84% | 0.841 | 82% | 0.821 | S | S | * | * | | | trans | -63.6 | 131.4 | 157.1 | -75.2 | -177.6 | 137.5 | 0 | 0 | 109.5 | | |
| 249 | V | 51.5 | Low | 52 | Low | 139 Ų | 139 | 164 Ų | 164 | 84% | 0.842 | 83% | 0.825 | S | S | * | * | | | | 10.8 | 119.4 | 127.5 | -176.3 | 0 | 0 | 0 | 0 | 115.5 | | |
| 250 | C | 52.2 | Low | 53.2 | Low | 121 Ų | 121 | 160.6 Ų | 160.6 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | | | trans | -156.1 | 132.2 | 146.2 | -126.6 | 0 | 0 | 0 | 0 | 111 | | |
| 251 | S | 50.4 | Low | 53.3 | Low | 196 Ų | 196 | 160.5 Ų | 160.5 | 100% | 1.371 | 83% | 0.833 | S | S | * | * | | | trans | 77.5 | 0 | 169.3 | -60.8 | 0 | 0 | 0 | 0 | 118.6 | | |