| 1 | M | 41.2 | Very low | 53.3 | Low | 220 Ų | 220 | 129.6 Ų | 129.6 | 100% | 1.084 | 63% | 0.632 | S | S | * | * | | | | 0 | 102.6 | 0 | -80 | 173.3 | 167.2 | 0 | 0 | 103.4 | | |
| 2 | D | 46.9 | Very low | 53.7 | Low | 127 Ų | 127 | 121.7 Ų | 121.7 | 68% | 0.679 | 59% | 0.594 | S | S | * | * | | | trans | -100.2 | 101.6 | -173.8 | -75.3 | -83.4 | 0 | 0 | 0 | 107.9 | E4 | D2-E4 PolarHBondContact O-N 3.29Š|
| 3 | D | 52.6 | Low | 54.3 | Low | 110 Ų | 110 | 122.6 Ų | 122.6 | 59% | 0.588 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 21.3 | 179.3 | -51.7 | -31.3 | 0 | 0 | 0 | 112.4 | R7 | D3-R7 WeakPolarHBondContact O-CG 3.39Å; D3-R7 PolarHBondContact O-NE 2.87Å; D3-R7 PolarHBondContact O-NH2 3.48Å |
| 4 | E | 52.3 | Low | 54.5 | Low | 101 Ų | 101 | 118.8 Ų | 118.8 | 47% | 0.472 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.9 | -26.4 | -173.9 | -61.1 | -56.1 | 141.3 | 0 | 0 | 113 | D2 R7 | D2-E4 PolarHBondContact O-N 3.29Å; E4-R7 PolarHBondContact O-N 3.14Å; E4-R7 IonicContact OE1-CZ 3.32Å; E4-R7 IonicContact OE1-NE 3.14Å; E4-R7 PolarHBondContact OE1-NE 3.39Å; E4-R7 VanDerWaalsContact OE1-NE 3.14Å; E4-R7 IonicContact OE1-NH2 2.69Å; E4-R7 PolarHBondContact OE1-NH2 3.06Å; E4-R7 WeakPolarHBondContact OE2-CD 3.46Å; E4-R7 IonicContact OE2-CZ 3.76Å; E4-R7 IonicContact OE2-NE 2.8Å; E4-R7 PolarHBondContact OE2-NE 3.26Å; E4-R7 IonicContact OE2-NH2 3.88Å |
| 5 | D | 55.3 | Low | 55.3 | Low | 113 Ų | 113 | 116.5 Ų | 116.5 | 60% | 0.604 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.1 | -39.9 | 175.9 | -75.7 | -32.1 | 0 | 0 | 0 | 111.3 | R7 R8 L9 | D5-R7 PolarHBondContact O-N 2.87Å; D5-R8 PolarHBondContact O-N 3.41Å; D5-L9 PolarHBondContact O-N 3.37Å |
| 6 | D | 54.7 | Low | 55.8 | Low | 112 Ų | 112 | 116.7 Ų | 116.7 | 60% | 0.599 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -59.7 | -32.3 | 174.7 | -76.9 | -18.8 | 0 | 0 | 0 | 112.4 | L9 L10 | D6-L9 PolarHBondContact O-N 2.69Å; D6-L10 VanDerWaalsContact O-CG 3.31Å; D6-L10 WeakPolarHBondContact O-CG 3.31Å; D6-L10 PolarHBondContact O-N 2.8Å |
| 7 | R | 52.3 | Low | 56.1 | Low | 131 Ų | 131 | 118.7 Ų | 118.7 | 49% | 0.494 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.8 | -45.5 | 174.6 | -53.7 | -167.7 | -153.6 | -59.9 | -6.7 | 110.9 | D3 E4 D5 L10 D11 | D3-R7 WeakPolarHBondContact O-CG 3.39Å; D3-R7 PolarHBondContact O-NE 2.87Å; D3-R7 PolarHBondContact O-NH2 3.48Å; E4-R7 PolarHBondContact O-N 3.14Å; E4-R7 IonicContact OE1-CZ 3.32Å; E4-R7 IonicContact OE1-NE 3.14Å; E4-R7 PolarHBondContact OE1-NE 3.39Å; E4-R7 VanDerWaalsContact OE1-NE 3.14Å; E4-R7 IonicContact OE1-NH2 2.69Å; E4-R7 PolarHBondContact OE1-NH2 3.06Å; E4-R7 WeakPolarHBondContact OE2-CD 3.46Å; E4-R7 IonicContact OE2-CZ 3.76Å; E4-R7 IonicContact OE2-NE 2.8Å; E4-R7 PolarHBondContact OE2-NE 3.26Å; E4-R7 IonicContact OE2-NH2 3.88Å; D5-R7 PolarHBondContact O-N 2.87Å; R7-L10 PolarHBondContact O-N 3.34Å; R7-D11 PolarHBondContact O-N 2.96Å; R7-D11 VanDerWaalsContact O-N 3.08Å |
| 8 | R | 56.5 | Low | 56.6 | Low | 178 Ų | 178 | 114 Ų | 114 | 67% | 0.672 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -67.1 | -37.4 | 178.6 | -61.1 | -172.1 | -170.7 | -114.7 | 7.2 | 111.7 | D5 L10 D11 I12 | D5-R8 PolarHBondContact O-N 3.41Å; R8-L10 VanDerWaalsContact C-N 3.31Å; R8-L10 PolarHBondContact O-N 3.36Å; R8-D11 PolarHBondContact O-N 3.07Å; R8-I12 WeakPolarHBondContact O-CB 3.44Å; R8-I12 WeakPolarHBondContact O-CD1 3.5Å; R8-I12 VanDerWaalsContact O-CG1 3.23Å; R8-I12 WeakPolarHBondContact O-CG1 3.23Å; R8-I12 PolarHBondContact O-N 3.4Å |
| 9 | L | 58.4 | Low | 57.4 | Low | 86 Ų | 86 | 111.5 Ų | 111.5 | 45% | 0.45 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.8 | -37.6 | 177.7 | -148.1 | 75.3 | 0 | 0 | 0 | 111.5 | D5 D6 I12 L13 | D5-L9 PolarHBondContact O-N 3.37Å; D6-L9 PolarHBondContact O-N 2.69Å; L9-I12 PolarHBondContact O-N 3.08Å; L9-L13 VanDerWaalsContact O-CD1 3.22Å; L9-L13 WeakPolarHBondContact O-CD1 3.08Å; L9-L13 PolarHBondContact O-N 3.49Å |
| 10 | L | 58.3 | Low | 57.9 | Low | 126 Ų | 126 | 110.4 Ų | 110.4 | 66% | 0.66 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.9 | -38.3 | 174.5 | -70.9 | 169.1 | 0 | 0 | 0 | 113 | D6 R7 R8 I12 L13 G14 | D6-L10 VanDerWaalsContact O-CG 3.31Å; D6-L10 WeakPolarHBondContact O-CG 3.31Å; D6-L10 PolarHBondContact O-N 2.8Å; R7-L10 PolarHBondContact O-N 3.34Å; R8-L10 VanDerWaalsContact C-N 3.31Å; R8-L10 PolarHBondContact O-N 3.36Å; L10-I12 VanDerWaalsContact C-N 3.34Å; L10-L13 PolarHBondContact O-N 3.48Å; L10-G14 PolarHBondContact O-N 2.98Å |
| 11 | D | 58.3 | Low | 58.6 | Low | 122 Ų | 122 | 108.6 Ų | 108.6 | 65% | 0.652 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.5 | -41.6 | 171.7 | -73.8 | -25.8 | 0 | 0 | 0 | 111.2 | R7 R8 L13 G14 D15 | R7-D11 PolarHBondContact O-N 2.96Å; R7-D11 VanDerWaalsContact O-N 3.08Å; R8-D11 PolarHBondContact O-N 3.07Å; D11-L13 VanDerWaalsContact C-N 3.35Å; D11-L13 PolarHBondContact O-N 3.47Å; D11-G14 PolarHBondContact O-N 2.98Å; D11-G14 VanDerWaalsContact O-N 3.09Å; D11-D15 PolarHBondContact O-N 3.46Å; D11-D15 VanDerWaalsContact O-N 3.13Å |
| 12 | I | 58.1 | Low | 59.9 | Low | 34 Ų | 34 | 105.7 Ų | 105.7 | 17% | 0.174 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -64.7 | -34.1 | 177.1 | -69.9 | 163.7 | 0 | 0 | 0 | 112.2 | R8 L9 L10 G14 D15 A18 L19 Y22 | R8-I12 WeakPolarHBondContact O-CB 3.44Å; R8-I12 WeakPolarHBondContact O-CD1 3.5Å; R8-I12 VanDerWaalsContact O-CG1 3.23Å; R8-I12 WeakPolarHBondContact O-CG1 3.23Å; R8-I12 PolarHBondContact O-N 3.4Å; L9-I12 PolarHBondContact O-N 3.08Å; L10-I12 VanDerWaalsContact C-N 3.34Å; I12-G14 PolarHBondContact O-N 3.49Å; I12-D15 PolarHBondContact O-N 3.12Å; I12-A18 HydrophobicContact CG1-CB 4.34Å; I12-L19 HydrophobicContact CG2-CB 4.04Å; I12-L19 HydrophobicContact CG2-CD1 3.93Å; I12-Y22 HydrophobicContact CD1-CD2 4.47Å |
| 13 | L | 60.9 | Low | 60.8 | Low | 134 Ų | 134 | 104.9 Ų | 104.9 | 70% | 0.702 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -70.7 | -17.3 | 174 | -96.6 | 79.6 | 0 | 0 | 0 | 113.5 | L9 L10 D11 | L9-L13 VanDerWaalsContact O-CD1 3.22Å; L9-L13 WeakPolarHBondContact O-CD1 3.08Å; L9-L13 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 3.48Å; D11-L13 VanDerWaalsContact C-N 3.35Å; D11-L13 PolarHBondContact O-N 3.47Å |
| 14 | G | 57.8 | Low | 61.4 | Low | 69 Ų | 69 | 106.4 Ų | 106.4 | 71% | 0.711 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -90 | -29.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | L10 D11 I12 | L10-G14 PolarHBondContact O-N 2.98Å; D11-G14 PolarHBondContact O-N 2.98Å; D11-G14 VanDerWaalsContact O-N 3.09Å; I12-G14 PolarHBondContact O-N 3.49Å |
| 15 | D | 66 | Low | 61.6 | Low | 84 Ų | 84 | 103.7 Ų | 103.7 | 45% | 0.449 | 54% | 0.544 | S | S | . | . | | | trans | -109.1 | 108.5 | -175.7 | -168.7 | -21.8 | 0 | 0 | 0 | 112.2 | D11 I12 E17 A18 L19 | D11-D15 PolarHBondContact O-N 3.46Å; D11-D15 VanDerWaalsContact O-N 3.13Å; I12-D15 PolarHBondContact O-N 3.12Å; D15-E17 PolarHBondContact O-N 3.25Å; D15-E17 WeakPolarHBondContact OD1-CB 3.22Å; D15-E17 PolarHBondContact OD1-N 3.39Å; D15-A18 HydrophobicContact CB-CB 3.91Å; D15-A18 PolarHBondContact O-N 3.04Å; D15-A18 PolarHBondContact OD1-N 2.94Å; D15-L19 WeakPolarHBondContact O-CB 3.4Å; D15-L19 PolarHBondContact O-N 3.45Å |
| 16 | V | 63.7 | Low | 61.2 | Low | 120 Ų | 120 | 101.5 Ų | 101.5 | 73% | 0.727 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.9 | -30.1 | 179.5 | -179.5 | 0 | 0 | 0 | 0 | 112.3 | N20 | V16-N20 VanDerWaalsContact O-CB 3.26Å; V16-N20 WeakPolarHBondContact O-CB 3.47Å; V16-N20 PolarHBondContact O-N 3.3Å |
| 17 | E | 60.8 | Low | 61 | Low | 151 Ų | 151 | 104.3 Ų | 104.3 | 71% | 0.706 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -77.3 | -40.9 | -179.4 | -159.3 | 154.3 | -144.8 | 0 | 0 | 110.2 | D15 N20 D21 | D15-E17 PolarHBondContact O-N 3.25Å; D15-E17 WeakPolarHBondContact OD1-CB 3.22Å; D15-E17 PolarHBondContact OD1-N 3.39Å; E17-N20 PolarHBondContact O-N 2.95Å; E17-D21 PolarHBondContact O-N 3.5Å |
| 18 | A | 64.6 | Low | 60.7 | Low | 34 Ų | 34 | 103 Ų | 103 | 28% | 0.281 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.8 | -39.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I12 D15 N20 D21 Y22 | I12-A18 HydrophobicContact CG1-CB 4.34Å; D15-A18 HydrophobicContact CB-CB 3.91Å; D15-A18 PolarHBondContact O-N 3.04Å; D15-A18 PolarHBondContact OD1-N 2.94Å; A18-N20 VanDerWaalsContact C-N 3.34Å; A18-D21 PolarHBondContact O-N 3.37Å; A18-Y22 WeakPolarHBondContact O-CB 3.27Å; A18-Y22 PolarHBondContact O-N 3.09Å |
| 19 | L | 73 | Confident | 60.3 | Low | 67 Ų | 67 | 103 Ų | 103 | 35% | 0.351 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.6 | -38.5 | 174 | 179.9 | 60 | 0 | 0 | 0 | 112 | I12 D15 Y22 L23 | I12-L19 HydrophobicContact CG2-CB 4.04Å; I12-L19 HydrophobicContact CG2-CD1 3.93Å; D15-L19 WeakPolarHBondContact O-CB 3.4Å; D15-L19 PolarHBondContact O-N 3.45Å; L19-Y22 PolarHBondContact O-N 3.13Å; L19-L23 HydrophobicContact CD1-CD1 4Å; L19-L23 HydrophobicContact CD1-CG 4.29Å; L19-L23 HydrophobicContact CG-CD1 3.98Å; L19-L23 WeakPolarHBondContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.93Å |
| 20 | N | 67.3 | Low | 59.6 | Low | 88 Ų | 88 | 104 Ų | 104 | 47% | 0.471 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.8 | -41 | 176.1 | -176.9 | 89.8 | 0 | 0 | 0 | 111.8 | V16 E17 A18 L23 H24 | V16-N20 VanDerWaalsContact O-CB 3.26Å; V16-N20 WeakPolarHBondContact O-CB 3.47Å; V16-N20 PolarHBondContact O-N 3.3Å; E17-N20 PolarHBondContact O-N 2.95Å; A18-N20 VanDerWaalsContact C-N 3.34Å; N20-L23 PolarHBondContact O-N 3.42Å; N20-H24 WeakPolarHBondContact O-CB 3.49Å; N20-H24 PolarHBondContact O-N 3.31Å; N20-H24 VanDerWaalsContact O-N 3.09Å; N20-H24 PolarHBondContact OD1-CD2 3.27Å |
| 21 | D | 70.9 | Confident | 58.9 | Low | 74 Ų | 74 | 104.5 Ų | 104.5 | 40% | 0.396 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.5 | -39.7 | 171.8 | -102.2 | -36.1 | 0 | 0 | 0 | 112.3 | E17 A18 G25 S26 | E17-D21 PolarHBondContact O-N 3.5Å; A18-D21 PolarHBondContact O-N 3.37Å; D21-G25 VanDerWaalsContact O-CA 3.26Å; D21-G25 WeakPolarHBondContact O-CA 3.4Å; D21-G25 PolarHBondContact O-N 2.9Å; D21-S26 VanDerWaalsContact OD1-CA 3.27Å; D21-S26 WeakPolarHBondContact OD1-CA 3.44Å; D21-S26 VanDerWaalsContact OD1-CB 3.26Å; D21-S26 WeakPolarHBondContact OD1-CB 3.44Å; D21-S26 PolarHBondContact OD1-OG 2.87Å |
| 22 | Y | 69.3 | Low | 58.4 | Low | 159 Ų | 159 | 100 Ų | 100 | 62% | 0.624 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -66.3 | -38.6 | 176.3 | -177.6 | -98.2 | 0 | 0 | 0 | 112.8 | I12 A18 L19 | I12-Y22 HydrophobicContact CD1-CD2 4.47Å; A18-Y22 WeakPolarHBondContact O-CB 3.27Å; A18-Y22 PolarHBondContact O-N 3.09Å; L19-Y22 PolarHBondContact O-N 3.13Å |
| 23 | L | 66.3 | Low | 58 | Low | 110 Ų | 110 | 106.8 Ų | 106.8 | 58% | 0.576 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.2 | -24.2 | -179.2 | -78 | 167.8 | 0 | 0 | 0 | 114.5 | L19 N20 | L19-L23 HydrophobicContact CD1-CD1 4Å; L19-L23 HydrophobicContact CD1-CG 4.29Å; L19-L23 HydrophobicContact CG-CD1 3.98Å; L19-L23 WeakPolarHBondContact O-CB 3.26Å; L19-L23 WeakPolarHBondContact O-CG 3.41Å; L19-L23 PolarHBondContact O-N 2.93Å; N20-L23 PolarHBondContact O-N 3.42Å |
| 24 | H | 65.3 | Low | 57.5 | Low | 141 Ų | 141 | 106.3 Ų | 106.3 | 65% | 0.653 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -124.6 | -18.1 | -170.9 | -60.9 | -35.8 | 0 | 0 | 0 | 114.8 | N20 | N20-H24 WeakPolarHBondContact O-CB 3.49Å; N20-H24 PolarHBondContact O-N 3.31Å; N20-H24 VanDerWaalsContact O-N 3.09Å; N20-H24 PolarHBondContact OD1-CD2 3.27Å |
| 25 | G | 56.3 | Low | 57.2 | Low | 45 Ų | 45 | 106.8 Ų | 106.8 | 46% | 0.464 | 58% | 0.582 | S | S | . | * | | | trans | 74.9 | 131.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D21 N27 | D21-G25 VanDerWaalsContact O-CA 3.26Å; D21-G25 WeakPolarHBondContact O-CA 3.4Å; D21-G25 PolarHBondContact O-N 2.9Å; G25-N27 PolarHBondContact O-N 3.09Å |
| 26 | S | 47.3 | Very low | 56.4 | Low | 66 Ų | 66 | 107.6 Ų | 107.6 | 46% | 0.462 | 59% | 0.589 | S | S | . | * | | | trans | -64.1 | 93.5 | -176.6 | -45.2 | 0 | 0 | 0 | 0 | 112.4 | D21 S28 | D21-S26 VanDerWaalsContact OD1-CA 3.27Å; D21-S26 WeakPolarHBondContact OD1-CA 3.44Å; D21-S26 VanDerWaalsContact OD1-CB 3.26Å; D21-S26 WeakPolarHBondContact OD1-CB 3.44Å; D21-S26 PolarHBondContact OD1-OG 2.87Å; S26-S28 PolarHBondContact O-N 3.31Å |
| 27 | N | 50.2 | Low | 55.6 | Low | 171 Ų | 171 | 104.9 Ų | 104.9 | 91% | 0.914 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 46 | -178.9 | -169.8 | 20.3 | 0 | 0 | 0 | 112.9 | G25 | G25-N27 PolarHBondContact O-N 3.09Š|
| 28 | S | 46.4 | Very low | 54.8 | Low | 103 Ų | 103 | 103.1 Ų | 103.1 | 72% | 0.72 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | -2.2 | -171.1 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | S26 S30 | S26-S28 PolarHBondContact O-N 3.31Å; S28-S30 PolarHBondContact O-N 3.38Å |
| 29 | K | 47.6 | Very low | 54 | Low | 180 Ų | 180 | 106 Ų | 106 | 78% | 0.783 | 60% | 0.599 | S | S | * | * | | | trans | -86.7 | 92 | 172.3 | -147.9 | -180 | -172.7 | -167.3 | 0 | 110.3 | I31 | K29-I31 PolarHBondContact O-N 3.35Š|
| 30 | S | 42.6 | Very low | 52.6 | Low | 106 Ų | 106 | 106.4 Ų | 106.4 | 74% | 0.741 | 61% | 0.611 | S | S | * | * | | | trans | -59.5 | 118.8 | 168.5 | 55.9 | 0 | 0 | 0 | 0 | 109.6 | S28 G32 | S28-S30 PolarHBondContact O-N 3.38Å; S30-G32 PolarHBondContact O-N 3.34Å |
| 31 | I | 44.3 | Very low | 51.3 | Low | 137 Ų | 137 | 112.9 Ų | 112.9 | 70% | 0.703 | 63% | 0.631 | S | S | * | * | | | trans | -65.7 | 107.2 | 174.6 | -170.2 | 168 | 0 | 0 | 0 | 109.1 | K29 D35 | K29-I31 PolarHBondContact O-N 3.35Å; I31-D35 HydrophobicContact CG1-CB 4.23Å |
| 32 | G | 47.1 | Very low | 49.6 | Very low | 28 Ų | 28 | 112.8 Ų | 112.8 | 29% | 0.289 | 65% | 0.647 | S | S | . | * | | | trans | -76.6 | 154.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | S30 D34 D35 | S30-G32 PolarHBondContact O-N 3.34Å; G32-D34 PolarHBondContact O-N 3.42Å; G32-D35 PolarHBondContact O-N 3.05Å |
| 33 | E | 49.8 | Very low | 47.8 | Very low | 176 Ų | 176 | 110.5 Ų | 110.5 | 82% | 0.822 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | -17.4 | 177.2 | 52.4 | -101.8 | -140.1 | 0 | 0 | 114.7 | | |
| 34 | D | 50.9 | Low | 46.3 | Very low | 123 Ų | 123 | 112.1 Ų | 112.1 | 66% | 0.658 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -34.9 | 179.2 | -149 | 46.3 | 0 | 0 | 0 | 113.3 | G32 V36 A37 | G32-D34 PolarHBondContact O-N 3.42Å; D34-V36 PolarHBondContact O-N 3.17Å; D34-A37 PolarHBondContact O-N 2.99Å; D34-A37 VanDerWaalsContact O-N 3.12Å |
| 35 | D | 52.1 | Low | 44.6 | Very low | 80 Ų | 80 | 109.2 Ų | 109.2 | 43% | 0.428 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -63.9 | -29.1 | 178.7 | -78.1 | -40.5 | 0 | 0 | 0 | 111.8 | I31 G32 A37 N38 A39 | I31-D35 HydrophobicContact CG1-CB 4.23Å; G32-D35 PolarHBondContact O-N 3.05Å; D35-A37 PolarHBondContact O-N 3.42Å; D35-N38 PolarHBondContact O-N 3.47Å; D35-A39 PolarHBondContact O-N 3.39Å |
| 36 | V | 48.3 | Very low | 43.6 | Very low | 100 Ų | 100 | 110.9 Ų | 110.9 | 61% | 0.606 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -69.2 | -21.1 | 179.3 | -166.8 | 0 | 0 | 0 | 0 | 112 | D34 | D34-V36 PolarHBondContact O-N 3.17Å |
| 37 | A | 48 | Very low | 43 | Very low | 63 Ų | 63 | 116.8 Ų | 116.8 | 52% | 0.521 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -84.7 | -39.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | D34 D35 A40 | D34-A37 PolarHBondContact O-N 2.99Å; D34-A37 VanDerWaalsContact O-N 3.12Å; D35-A37 PolarHBondContact O-N 3.42Å; A37-A40 PolarHBondContact O-N 3.22Å |
| 38 | N | 44.3 | Very low | 42.1 | Very low | 115 Ų | 115 | 118.2 Ų | 118.2 | 62% | 0.615 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -72.5 | -28.4 | -176.9 | -77.3 | -38.8 | 0 | 0 | 0 | 113.3 | D35 A40 Y41 | D35-N38 PolarHBondContact O-N 3.47Å; N38-A40 PolarHBondContact O-N 2.9Å; N38-Y41 PolarHBondContact O-N 2.76Å |
| 39 | A | 47.8 | Very low | 41.5 | Very low | 95 Ų | 95 | 119.3 Ų | 119.3 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -5.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D35 | D35-A39 PolarHBondContact O-N 3.39Š|
| 40 | A | 42.7 | Very low | 40.6 | Very low | 74 Ų | 74 | 118 Ų | 118 | 61% | 0.612 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | -10.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | A37 N38 | A37-A40 PolarHBondContact O-N 3.22Å; N38-A40 PolarHBondContact O-N 2.9Å |
| 41 | Y | 40.5 | Very low | 40 | Very low | 225 Ų | 225 | 120 Ų | 120 | 88% | 0.882 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -147.8 | 81.9 | -171.1 | -105.2 | -88.9 | 0 | 0 | 0 | 114.6 | N38 | N38-Y41 PolarHBondContact O-N 2.76Š|
| 42 | G | 33.9 | Very low | 39.2 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 70% | 0.701 | S | S | * | * | | | trans | 82.9 | 157.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 43 | S | 32.7 | Very low | 38.6 | Very low | 112 Ų | 112 | 124.1 Ų | 124.1 | 78% | 0.783 | 72% | 0.721 | S | S | * | * | | | cis | -141.5 | 161.3 | -2.9 | -136.8 | 0 | 0 | 0 | 0 | 112 | | |
| 44 | D | 33.6 | Very low | 37.5 | Very low | 143 Ų | 143 | 119.4 Ų | 119.4 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | | | trans | -50.8 | 132.5 | 173.1 | 48.6 | -37.5 | 0 | 0 | 0 | 116 | | |
| 45 | G | 30.6 | Very low | 36.4 | Very low | 81 Ų | 81 | 118.9 Ų | 118.9 | 84% | 0.835 | 72% | 0.724 | S | S | * | * | | | trans | -121.9 | 85.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 46 | S | 35.1 | Very low | 35.3 | Very low | 79 Ų | 79 | 121.8 Ų | 121.8 | 55% | 0.552 | 74% | 0.739 | S | S | * | * | | | trans | -78.6 | 131.1 | -176.2 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 47 | F | 33.5 | Very low | 34.4 | Very low | 190 Ų | 190 | 124 Ų | 124 | 83% | 0.833 | 75% | 0.753 | S | S | * | * | | | trans | -105.1 | 152.2 | 146.9 | -88.6 | -98.8 | 0 | 0 | 0 | 108.9 | | |
| 48 | F | 33.2 | Very low | 33.3 | Very low | 202 Ų | 202 | 124.6 Ų | 124.6 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | | | trans | 63.5 | 68.7 | -174.4 | -54.7 | -72.6 | 0 | 0 | 0 | 115.9 | | |
| 49 | T | 32.3 | Very low | 32.7 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 77% | 0.767 | 78% | 0.78 | S | S | * | * | | | trans | -105.3 | 134.3 | 140.5 | 52 | 0 | 0 | 0 | 0 | 109.6 | | |
| 50 | N | 28.5 | Very low | 31.8 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | | | trans | -132.1 | 97.8 | 158.7 | 177.8 | 85.6 | 0 | 0 | 0 | 107 | | |
| 51 | E | 31.1 | Very low | 31.1 | Very low | 150 Ų | 150 | 134.6 Ų | 134.6 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | | | trans | -64.7 | 142.3 | 176.8 | -93.6 | -158.5 | 88.1 | 0 | 0 | 111.8 | T53 | E51-T53 PolarHBondContact OE1-OG1 3.1Š|
| 52 | T | 27.8 | Very low | 30.5 | Very low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | | | trans | -140.2 | 107.3 | 138.3 | -65.8 | 0 | 0 | 0 | 0 | 107.7 | | |
| 53 | T | 33 | Very low | 30.4 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | | | trans | -66.1 | 141.8 | -173.7 | -35.3 | 0 | 0 | 0 | 0 | 112.1 | E51 | E51-T53 PolarHBondContact OE1-OG1 3.1Š|
| 54 | G | 26.7 | Very low | 30.2 | Very low | 76 Ų | 76 | 128.9 Ų | 128.9 | 78% | 0.784 | 78% | 0.778 | S | S | * | * | | | trans | 176.2 | 68.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 55 | C | 27.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | trans | -82 | 146.1 | -179.3 | -67.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 56 | N | 29.5 | Very low | 29.8 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | | | trans | 87 | 126.5 | 145.4 | -65 | -24.8 | 0 | 0 | 0 | 122.5 | | |
| 57 | T | 30.4 | Very low | 29.5 | Very low | 146 Ų | 146 | 130 Ų | 130 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | | | trans | 68.2 | 128 | 150.7 | 58.7 | 0 | 0 | 0 | 0 | 119.9 | | |
| 58 | G | 24.9 | Very low | 29.2 | Very low | 76 Ų | 76 | 128 Ų | 128 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | | | trans | 155.5 | 74.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 59 | L | 29.9 | Very low | 28.9 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | | | trans | 10.7 | 129 | 148.8 | -69.3 | 163.4 | 0 | 0 | 0 | 120.3 | | |
| 60 | K | 29.3 | Very low | 29 | Very low | 178 Ų | 178 | 126.8 Ų | 126.8 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | | | | 106.5 | 129.2 | 128.9 | -163.7 | 173.5 | -179.5 | -180 | 0 | 119.7 | | |
| 61 | D | 28 | Very low | 29.1 | Very low | 142 Ų | 142 | 128.2 Ų | 128.2 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | trans | 29 | 141.3 | 154.6 | -45.5 | -16.9 | 0 | 0 | 0 | 122 | | |
| 62 | G | 28.6 | Very low | 29.1 | Very low | 65 Ų | 65 | 128.4 Ų | 128.4 | 67% | 0.67 | 77% | 0.773 | S | S | * | * | | | trans | 138 | 74.8 | 133.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 63 | S | 31 | Very low | 30 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | | | trans | 48.8 | 119.9 | 134.8 | 60.9 | 0 | 0 | 0 | 0 | 122.8 | | |
| 64 | S | 29.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | | 91.3 | 160 | 119.3 | 76.3 | 0 | 0 | 0 | 0 | 122.7 | | |
| 65 | S | 27.4 | Very low | 30.5 | Very low | 109 Ų | 109 | 127.2 Ų | 127.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | | | trans | 68.3 | 113.9 | 176.7 | -145 | 0 | 0 | 0 | 0 | 115.8 | | |
| 66 | M | 28.2 | Very low | 30.9 | Very low | 153 Ų | 153 | 125.5 Ų | 125.5 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | | | cis | 77.9 | 139 | 30.6 | -152.9 | -86.5 | 179.1 | 0 | 0 | 113.7 | E68 | M66-E68 HydrophobicContact CE-CB 4.36Å; M66-E68 WeakPolarHBondContact CE-OE2 3.49Å |
| 67 | G | 29.7 | Very low | 31 | Very low | 65 Ų | 65 | 122.3 Ų | 122.3 | 67% | 0.67 | 78% | 0.783 | S | S | * | * | | | trans | 110.8 | 86.8 | -152.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 68 | E | 26.4 | Very low | 31.1 | Very low | 148 Ų | 148 | 124 Ų | 124 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | cis | 66.5 | 93.4 | 42.6 | -164.2 | -177.2 | 168 | 0 | 0 | 113.4 | M66 | M66-E68 HydrophobicContact CE-CB 4.36Å; M66-E68 WeakPolarHBondContact CE-OE2 3.49Å |
| 69 | F | 26.7 | Very low | 31.7 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | | -147.3 | 161.7 | 126.6 | -142.1 | -99.8 | 0 | 0 | 0 | 110.6 | | |
| 70 | V | 33.9 | Very low | 31.8 | Very low | 110 Ų | 110 | 128 Ų | 128 | 67% | 0.667 | 78% | 0.784 | S | S | * | * | | | trans | -124.2 | 137.7 | -173 | 170.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 71 | E | 30.6 | Very low | 32.1 | Very low | 181 Ų | 181 | 124.3 Ų | 124.3 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | | | trans | -174.7 | 108.5 | 139.5 | -106.8 | 171.7 | 171.1 | 0 | 0 | 111.1 | | |
| 72 | D | 32.5 | Very low | 32.4 | Very low | 154 Ų | 154 | 121.6 Ų | 121.6 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | | | | 32.3 | 177.3 | 129.5 | -118.1 | 24.4 | 0 | 0 | 0 | 121.9 | | |
| 73 | P | 45.1 | Very low | 32.9 | Very low | 108 Ų | 108 | 124 Ų | 124 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | | -126.2 | -175.2 | -121.5 | 34.5 | -12.3 | 0 | 0 | 0 | 116.1 | | |
| 74 | A | 34.9 | Very low | 33.4 | Very low | 108 Ų | 108 | 127.1 Ų | 127.1 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | | | trans | 83.1 | 137.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 75 | G | 35.1 | Very low | 34 | Very low | 86 Ų | 86 | 126 Ų | 126 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | | | trans | 105.1 | 95.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 76 | G | 36.9 | Very low | 34.7 | Very low | 76 Ų | 76 | 130.3 Ų | 130.3 | 78% | 0.784 | 78% | 0.784 | S | S | * | * | | | trans | 159.3 | 4.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 77 | G | 31.5 | Very low | 35.6 | Very low | 76 Ų | 76 | 131.1 Ų | 131.1 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | | | trans | -72.3 | 130.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 78 | L | 33 | Very low | 36.5 | Very low | 182 Ų | 182 | 136.9 Ų | 136.9 | 95% | 0.953 | 80% | 0.799 | S | S | * | * | | | trans | -70 | 136.8 | -178 | -66 | 170.8 | 0 | 0 | 0 | 111.8 | | |
| 79 | H | 38 | Very low | 37.3 | Very low | 169 Ų | 169 | 137.7 Ų | 137.7 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | | | trans | -122.2 | 102.2 | -167 | -165.4 | -91 | 0 | 0 | 0 | 112.2 | | |
| 80 | L | 31.8 | Very low | 38.5 | Very low | 164 Ų | 164 | 137.4 Ų | 137.4 | 86% | 0.859 | 81% | 0.809 | S | S | * | * | | | trans | -148.9 | 130.1 | 174.2 | -62.1 | 172 | 0 | 0 | 0 | 108.6 | | |
| 81 | S | 34.9 | Very low | 39.1 | Very low | 99 Ų | 99 | 141 Ų | 141 | 69% | 0.692 | 82% | 0.824 | S | S | * | * | | | cis | -148.3 | 120.5 | -17.2 | -82.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 82 | S | 34.2 | Very low | 39.4 | Very low | 86 Ų | 86 | 135.4 Ų | 135.4 | 60% | 0.601 | 81% | 0.814 | S | S | * | * | | | | 39.3 | 92.9 | 121.9 | -175.7 | 0 | 0 | 0 | 0 | 119 | | |
| 83 | S | 39.3 | Very low | 39.6 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -150.9 | 140.7 | 141 | -81.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 84 | L | 40.9 | Very low | 39.2 | Very low | 174 Ų | 174 | 134 Ų | 134 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | S | Bend | trans | 74.2 | 25.1 | -175.1 | -49.2 | -178.2 | 0 | 0 | 0 | 117.7 | F86 | L84-F86 PolarHBondContact O-N 2.88Š|
| 85 | S | 42.9 | Very low | 39 | Very low | 92 Ų | 92 | 134.5 Ų | 134.5 | 64% | 0.643 | 82% | 0.824 | S | S | * | * | | | trans | -94.8 | 55.4 | 168.8 | 62 | 0 | 0 | 0 | 0 | 112.6 | | |
| 86 | F | 41.1 | Very low | 38.7 | Very low | 198 Ų | 198 | 136 Ų | 136 | 87% | 0.868 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -131.3 | 11.2 | -175.9 | -158.6 | -100.7 | 0 | 0 | 0 | 114.1 | L84 | L84-F86 PolarHBondContact O-N 2.88Š|
| 87 | I | 47.5 | Very low | 38.7 | Very low | 170 Ų | 170 | 138 Ų | 138 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -141.1 | 26.3 | -177.4 | -38.3 | 174.8 | 0 | 0 | 0 | 111.5 | | |
| 88 | E | 48.6 | Very low | 38.7 | Very low | 186 Ų | 186 | 143.8 Ų | 143.8 | 87% | 0.869 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -122.2 | -7.2 | -175.4 | -161.4 | 156.2 | -150.6 | 0 | 0 | 114.7 | | |
| 89 | D | 44.4 | Very low | 39.1 | Very low | 166 Ų | 166 | 138.5 Ų | 138.5 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -119.2 | 21.2 | -169.2 | -155.9 | 35.1 | 0 | 0 | 0 | 115 | | |
| 90 | E | 50.8 | Low | 39 | Very low | 186 Ų | 186 | 137.6 Ų | 137.6 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -124.2 | 28.3 | 179.9 | -146 | -167.2 | 149.2 | 0 | 0 | 115 | | |
| 91 | L | 46.6 | Very low | 39.3 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 97% | 0.969 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -135.7 | 51.8 | 168.8 | -76.6 | 179.9 | 0 | 0 | 0 | 112.5 | | |
| 92 | G | 36.8 | Very low | 39.6 | Very low | 63 Ų | 63 | 140.2 Ų | 140.2 | 65% | 0.649 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -139.5 | 88.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 93 | T | 37 | Very low | 39.7 | Very low | 148 Ų | 148 | 139.6 Ų | 139.6 | 91% | 0.908 | 84% | 0.836 | S | S | * | * | | | trans | 52.1 | 108.9 | 165.3 | 48 | 0 | 0 | 0 | 0 | 118.1 | | |
| 94 | G | 37.2 | Very low | 39.6 | Very low | 86 Ų | 86 | 137.8 Ų | 137.8 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | | | trans | -71.8 | 147.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 95 | S | 30 | Very low | 39.5 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | | | trans | -132.7 | 145.4 | 156.2 | 63.5 | 0 | 0 | 0 | 0 | 108.7 | P97 | S95-P97 WeakPolarHBondContact O-CD 3.44Š|
| 96 | S | 30.2 | Very low | 39.8 | Very low | 119 Ų | 119 | 141 Ų | 141 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 123.1 | -172.6 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 97 | P | 37 | Very low | 40.2 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 134.3 | 158.7 | 33.6 | -28.8 | 0 | 0 | 0 | 110.9 | S95 | S95-P97 WeakPolarHBondContact O-CD 3.44Š|
| 98 | E | 30.8 | Very low | 40.4 | Very low | 197 Ų | 197 | 136 Ų | 136 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 122.6 | -174.8 | -176 | 180 | 149.6 | 0 | 0 | 113.2 | | |
| 99 | G | 40.9 | Very low | 40.7 | Very low | 71 Ų | 71 | 136 Ų | 136 | 73% | 0.732 | 82% | 0.816 | S | S | * | * | | | trans | 67 | 90.8 | 144 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 100 | V | 35.9 | Very low | 41.8 | Very low | 150 Ų | 150 | 132.1 Ų | 132.1 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | | | trans | -129.4 | 121.5 | 143.9 | -74.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 101 | D | 39.4 | Very low | 43 | Very low | 147 Ų | 147 | 129.4 Ų | 129.4 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | -98.3 | 117.8 | 177 | 172.2 | 26.6 | 0 | 0 | 0 | 110.2 | G103 | D101-G103 PolarHBondContact OD1-N 3.36Š|
| 102 | L | 39.8 | Very low | 44.1 | Very low | 171 Ų | 171 | 126.4 Ų | 126.4 | 90% | 0.895 | 77% | 0.77 | S | S | * | * | | | trans | -145.6 | 72.6 | 167.7 | -73.5 | -179.3 | 0 | 0 | 0 | 109 | A104 | L102-A104 PolarHBondContact O-N 3.23Š|
| 103 | G | 37.3 | Very low | 45.7 | Very low | 74 Ų | 74 | 130.3 Ų | 130.3 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | | | trans | -66.8 | 126.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | D101 | D101-G103 PolarHBondContact OD1-N 3.36Š|
| 104 | A | 37.8 | Very low | 47.3 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | trans | -156.2 | 110.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | L102 D106 | L102-A104 PolarHBondContact O-N 3.23Å; A104-D106 PolarHBondContact O-N 3.28Å |
| 105 | E | 38.7 | Very low | 49 | Very low | 175 Ų | 175 | 127.6 Ų | 127.6 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | | | trans | -8.1 | 101.9 | 170.7 | 39.3 | -73.4 | 158.2 | 0 | 0 | 118.6 | | |
| 106 | D | 49.3 | Very low | 50.9 | Low | 157 Ų | 157 | 125 Ų | 125 | 84% | 0.84 | 71% | 0.707 | S | S | * | * | | | trans | -81.8 | 121.3 | 147.7 | -179.7 | 32.4 | 0 | 0 | 0 | 108.8 | A104 | A104-D106 PolarHBondContact O-N 3.28Š|
| 107 | Q | 47.9 | Very low | 52.6 | Low | 148 Ų | 148 | 126.2 Ų | 126.2 | 69% | 0.692 | 70% | 0.703 | S | S | * | * | | | trans | -135.8 | 124.3 | 171.8 | -176.1 | 164.5 | 7.7 | 0 | 0 | 107.8 | F109 | Q107-F109 PolarHBondContact O-N 3.12Š|
| 108 | P | 52.9 | Low | 54 | Low | 115 Ų | 115 | 127.4 Ų | 127.4 | 75% | 0.747 | 70% | 0.698 | S | S | * | * | | | trans | -62.5 | 112.3 | -175 | 23.8 | -34.1 | 0 | 0 | 0 | 110.1 | D110 | P108-D110 PolarHBondContact O-N 3.04Š|
| 109 | F | 53.3 | Low | 55.6 | Low | 186 Ų | 186 | 120.8 Ų | 120.8 | 82% | 0.816 | 68% | 0.677 | S | S | * | * | | | trans | -63.8 | 108.1 | 175.6 | -76.6 | -87.5 | 0 | 0 | 0 | 109.3 | Q107 I111 | Q107-F109 PolarHBondContact O-N 3.12Å; F109-I111 PolarHBondContact O-N 3.37Å |
| 110 | D | 68.8 | Low | 56.4 | Low | 85 Ų | 85 | 124 Ų | 124 | 46% | 0.455 | 68% | 0.678 | S | S | . | * | | | trans | -60.2 | 111.3 | 176.6 | -173.3 | -15.5 | 0 | 0 | 0 | 109.1 | P108 L112 Q113 K114 | P108-D110 PolarHBondContact O-N 3.04Å; D110-L112 PolarHBondContact O-N 3.21Å; D110-L112 VanDerWaalsContact OD1-CB 3.28Å; D110-L112 WeakPolarHBondContact OD1-CB 3.34Å; D110-L112 PolarHBondContact OD1-N 3.18Å; D110-Q113 HydrophobicContact CB-CB 3.96Å; D110-Q113 WeakPolarHBondContact O-CA 3.43Å; D110-Q113 WeakPolarHBondContact O-CB 3.33Å; D110-Q113 PolarHBondContact O-N 3.07Å; D110-K114 PolarHBondContact O-N 3.19Å |
| 111 | I | 74.8 | Confident | 57.5 | Low | 130 Ų | 130 | 120.1 Ų | 120.1 | 67% | 0.667 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.1 | -27.7 | -175.7 | -60.6 | 175.7 | 0 | 0 | 0 | 110.1 | F109 S115 | F109-I111 PolarHBondContact O-N 3.37Å; I111-S115 VanDerWaalsContact O-CB 3.23Å; I111-S115 WeakPolarHBondContact O-CB 3.21Å; I111-S115 PolarHBondContact O-N 3.27Å; I111-S115 PolarHBondContact O-OG 2.93Å |
| 112 | L | 69.5 | Low | 58.9 | Low | 122 Ų | 122 | 116.5 Ų | 116.5 | 64% | 0.639 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.1 | -45.4 | 172.7 | -59 | 171.1 | 0 | 0 | 0 | 110.5 | D110 S115 L116 | D110-L112 PolarHBondContact O-N 3.21Å; D110-L112 VanDerWaalsContact OD1-CB 3.28Å; D110-L112 WeakPolarHBondContact OD1-CB 3.34Å; D110-L112 PolarHBondContact OD1-N 3.18Å; L112-S115 PolarHBondContact O-N 3.45Å; L112-L116 VanDerWaalsContact O-CD1 3.28Å; L112-L116 WeakPolarHBondContact O-CD1 3.29Å; L112-L116 PolarHBondContact O-N 2.97Å |
| 113 | Q | 70.8 | Confident | 60.1 | Low | 144 Ų | 144 | 116.4 Ų | 116.4 | 67% | 0.673 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.2 | -41.6 | 178 | -166 | 179.8 | 26.2 | 0 | 0 | 111.8 | D110 L117 | D110-Q113 HydrophobicContact CB-CB 3.96Å; D110-Q113 WeakPolarHBondContact O-CA 3.43Å; D110-Q113 WeakPolarHBondContact O-CB 3.33Å; D110-Q113 PolarHBondContact O-N 3.07Å; Q113-L117 WeakPolarHBondContact O-CB 3.14Å; Q113-L117 PolarHBondContact O-N 3.4Å |
| 114 | K | 71.2 | Confident | 61.2 | Low | 119 Ų | 119 | 119.7 Ų | 119.7 | 52% | 0.517 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -61.9 | -43.4 | 171.8 | -179.1 | 177.8 | 176 | -69.5 | 0 | 111.4 | D110 L117 E118 | D110-K114 PolarHBondContact O-N 3.19Å; K114-L117 PolarHBondContact O-N 3.09Å; K114-E118 IonicContact NZ-OE1 3.13Å; K114-E118 IonicContact NZ-OE2 2.89Å; K114-E118 PolarHBondContact NZ-OE2 3.16Å; K114-E118 VanDerWaalsContact O-CB 3.27Å; K114-E118 WeakPolarHBondContact O-CB 3.42Å; K114-E118 PolarHBondContact O-N 2.88Å |
| 115 | S | 72.4 | Confident | 62.7 | Low | 58 Ų | 58 | 118.9 Ų | 118.9 | 41% | 0.406 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.6 | -35.9 | -176.8 | -57.9 | 0 | 0 | 0 | 0 | 113 | I111 L112 A119 | I111-S115 VanDerWaalsContact O-CB 3.23Å; I111-S115 WeakPolarHBondContact O-CB 3.21Å; I111-S115 PolarHBondContact O-N 3.27Å; I111-S115 PolarHBondContact O-OG 2.93Å; L112-S115 PolarHBondContact O-N 3.45Å; S115-A119 VanDerWaalsContact O-CB 3.28Å; S115-A119 WeakPolarHBondContact O-CB 3.39Å; S115-A119 PolarHBondContact O-N 3.29Å |
| 116 | L | 71.3 | Confident | 64.1 | Low | 64 Ų | 64 | 114.9 Ų | 114.9 | 34% | 0.335 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.6 | -44.6 | 171.1 | -96.9 | 76.6 | 0 | 0 | 0 | 111.1 | L112 A119 D120 I121 L126 | L112-L116 VanDerWaalsContact O-CD1 3.28Å; L112-L116 WeakPolarHBondContact O-CD1 3.29Å; L112-L116 PolarHBondContact O-N 2.97Å; L116-A119 PolarHBondContact O-N 3.06Å; L116-D120 PolarHBondContact O-N 2.83Å; L116-I121 HydrophobicContact CG-CB 4.5Å; L116-I121 PolarHBondContact O-N 2.89Å; L116-L126 HydrophobicContact CD2-CD2 4.44Å |
| 117 | L | 64.7 | Low | 64.9 | Low | 144 Ų | 144 | 110 Ų | 110 | 75% | 0.754 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -66.6 | -38.3 | 179.3 | -172.2 | 66.5 | 0 | 0 | 0 | 112.3 | Q113 K114 A119 D120 | Q113-L117 WeakPolarHBondContact O-CB 3.14Å; Q113-L117 PolarHBondContact O-N 3.4Å; K114-L117 PolarHBondContact O-N 3.09Å; L117-A119 VanDerWaalsContact C-N 3.33Å; L117-D120 PolarHBondContact O-N 3.23Å |
| 118 | E | 66.1 | Low | 65.4 | Low | 141 Ų | 141 | 109 Ų | 109 | 66% | 0.659 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73 | -24.1 | 177.4 | -172 | 166 | -176.7 | 0 | 0 | 113 | K114 | K114-E118 IonicContact NZ-OE1 3.13Å; K114-E118 IonicContact NZ-OE2 2.89Å; K114-E118 PolarHBondContact NZ-OE2 3.16Å; K114-E118 VanDerWaalsContact O-CB 3.27Å; K114-E118 WeakPolarHBondContact O-CB 3.42Å; K114-E118 PolarHBondContact O-N 2.88Å |
| 119 | A | 65.6 | Low | 65.7 | Low | 58 Ų | 58 | 109.5 Ų | 109.5 | 48% | 0.479 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | -2.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S115 L116 L117 I121 | S115-A119 VanDerWaalsContact O-CB 3.28Å; S115-A119 WeakPolarHBondContact O-CB 3.39Å; S115-A119 PolarHBondContact O-N 3.29Å; L116-A119 PolarHBondContact O-N 3.06Å; L117-A119 VanDerWaalsContact C-N 3.33Å; A119-I121 HydrophobicContact CB-CB 4.48Å; A119-I121 HydrophobicContact CB-CD1 3.75Å; A119-I121 HydrophobicContact CB-CG1 3.75Å; A119-I121 PolarHBondContact O-N 2.88Å |
| 120 | D | 56.4 | Low | 66.1 | Low | 139 Ų | 139 | 103.7 Ų | 103.7 | 74% | 0.743 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55.7 | 26.9 | -171.6 | -151.1 | 18.9 | 0 | 0 | 0 | 113.3 | L116 L117 T122 | L116-D120 PolarHBondContact O-N 2.83Å; L117-D120 PolarHBondContact O-N 3.23Å; D120-T122 PolarHBondContact O-N 3.29Å |
| 121 | I | 60.8 | Low | 65.3 | Low | 68 Ų | 68 | 106.2 Ų | 106.2 | 35% | 0.349 | 56% | 0.562 | S | S | . | * | | | trans | -88.4 | 98 | 179.3 | -60.8 | 175.8 | 0 | 0 | 0 | 108.5 | L116 A119 T125 | L116-I121 HydrophobicContact CG-CB 4.5Å; L116-I121 PolarHBondContact O-N 2.89Å; A119-I121 HydrophobicContact CB-CB 4.48Å; A119-I121 HydrophobicContact CB-CD1 3.75Å; A119-I121 HydrophobicContact CB-CG1 3.75Å; A119-I121 PolarHBondContact O-N 2.88Å; I121-T125 HydrophobicContact CG2-CG2 4.38Å |
| 122 | T | 66.9 | Low | 64 | Low | 72 Ų | 72 | 105.9 Ų | 105.9 | 44% | 0.442 | 56% | 0.561 | S | S | . | * | | | trans | -63.5 | 150.8 | 172.2 | 74.1 | 0 | 0 | 0 | 0 | 111.5 | D120 Q124 T125 L126 | D120-T122 PolarHBondContact O-N 3.29Å; T122-Q124 PolarHBondContact O-N 2.71Å; T122-Q124 VanDerWaalsContact O-N 3.14Å; T122-T125 WeakPolarHBondContact O-CA 3.26Å; T122-T125 VanDerWaalsContact O-CB 3.28Å; T122-T125 WeakPolarHBondContact O-CB 3.44Å; T122-T125 PolarHBondContact O-N 3.42Å; T122-T125 PolarHBondContact OG1-N 2.85Å; T122-T125 PolarHBondContact OG1-OG1 2.8Å; T122-L126 PolarHBondContact O-N 3.09Å |
| 123 | E | 65.9 | Low | 63.1 | Low | 168 Ų | 168 | 107.5 Ų | 107.5 | 79% | 0.785 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -52.5 | -34.4 | 172 | -173.8 | -176.5 | 173.5 | 0 | 0 | 112 | L126 A127 | E123-L126 PolarHBondContact O-N 2.95Å; E123-A127 WeakPolarHBondContact O-CB 3.42Å; E123-A127 PolarHBondContact O-N 2.74Å |
| 124 | Q | 59.6 | Low | 61.6 | Low | 144 Ų | 144 | 105.3 Ų | 105.3 | 67% | 0.673 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.4 | -38.1 | 175 | -175 | 174.7 | -5.2 | 0 | 0 | 112.5 | T122 Q128 | T122-Q124 PolarHBondContact O-N 2.71Å; T122-Q124 VanDerWaalsContact O-N 3.14Å; Q124-Q128 WeakPolarHBondContact O-CB 3.19Å; Q124-Q128 PolarHBondContact O-N 3.28Å |
| 125 | T | 70.9 | Confident | 60 | Low | 59 Ų | 59 | 106.8 Ų | 106.8 | 36% | 0.362 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.5 | -49.1 | 174.2 | -49.6 | 0 | 0 | 0 | 0 | 110.4 | I121 T122 A127 Q128 E129 | I121-T125 HydrophobicContact CG2-CG2 4.38Å; T122-T125 WeakPolarHBondContact O-CA 3.26Å; T122-T125 VanDerWaalsContact O-CB 3.28Å; T122-T125 WeakPolarHBondContact O-CB 3.44Å; T122-T125 PolarHBondContact O-N 3.42Å; T122-T125 PolarHBondContact OG1-N 2.85Å; T122-T125 PolarHBondContact OG1-OG1 2.8Å; T125-A127 PolarHBondContact O-N 3.28Å; T125-Q128 PolarHBondContact O-N 3.31Å; T125-Q128 VanDerWaalsContact O-N 3.09Å; T125-E129 PolarHBondContact O-N 2.86Å |
| 126 | L | 68.3 | Low | 58.5 | Low | 92 Ų | 92 | 109.3 Ų | 109.3 | 48% | 0.482 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -61.5 | -43.9 | -179.5 | -171.3 | 72.2 | 0 | 0 | 0 | 111.8 | L116 T122 E123 Q128 E129 A130 | L116-L126 HydrophobicContact CD2-CD2 4.44Å; T122-L126 PolarHBondContact O-N 3.09Å; E123-L126 PolarHBondContact O-N 2.95Å; L126-Q128 VanDerWaalsContact C-N 3.3Å; L126-Q128 PolarHBondContact O-N 2.6Å; L126-E129 PolarHBondContact O-N 2.84Å; L126-A130 PolarHBondContact O-N 2.8Å |
| 127 | A | 64.1 | Low | 56.9 | Low | 55 Ų | 55 | 110.3 Ų | 110.3 | 46% | 0.455 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.7 | -35.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E123 T125 A130 M131 | E123-A127 WeakPolarHBondContact O-CB 3.42Å; E123-A127 PolarHBondContact O-N 2.74Å; T125-A127 PolarHBondContact O-N 3.28Å; A127-A130 PolarHBondContact O-N 3.22Å; A127-M131 WeakPolarHBondContact O-CB 3.35Å; A127-M131 WeakPolarHBondContact O-CG 3.16Å; A127-M131 PolarHBondContact O-N 3.47Å |
| 128 | Q | 58.7 | Low | 55.6 | Low | 126 Ų | 126 | 109.3 Ų | 109.3 | 59% | 0.589 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.9 | -30.7 | -179.6 | -169 | 161.3 | -1.3 | 0 | 0 | 112.7 | Q124 T125 L126 L132 | Q124-Q128 WeakPolarHBondContact O-CB 3.19Å; Q124-Q128 PolarHBondContact O-N 3.28Å; T125-Q128 PolarHBondContact O-N 3.31Å; T125-Q128 VanDerWaalsContact O-N 3.09Å; L126-Q128 VanDerWaalsContact C-N 3.3Å; L126-Q128 PolarHBondContact O-N 2.6Å; Q128-L132 WeakPolarHBondContact O-CG 3.25Å; Q128-L132 PolarHBondContact O-N 3.42Å |
| 129 | E | 60.5 | Low | 54.4 | Low | 126 Ų | 126 | 110.5 Ų | 110.5 | 59% | 0.589 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.1 | -43.7 | 168.4 | -68.4 | -169.4 | 128.4 | 0 | 0 | 111.8 | T125 L126 M131 L132 | T125-E129 PolarHBondContact O-N 2.86Å; L126-E129 PolarHBondContact O-N 2.84Å; E129-M131 PolarHBondContact O-N 2.88Å; E129-L132 WeakPolarHBondContact O-CB 3.26Å; E129-L132 PolarHBondContact O-N 2.87Å |
| 130 | A | 60.1 | Low | 52.8 | Low | 63 Ų | 63 | 115.3 Ų | 115.3 | 52% | 0.521 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -60.3 | -32.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | L126 A127 | L126-A130 PolarHBondContact O-N 2.8Å; A127-A130 PolarHBondContact O-N 3.22Å |
| 131 | M | 53.6 | Low | 51.6 | Low | 139 Ų | 139 | 115.1 Ų | 115.1 | 69% | 0.685 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -73.6 | -21.6 | 174.1 | -77.6 | -136.3 | 70.1 | 0 | 0 | 114.3 | A127 E129 C134 | A127-M131 WeakPolarHBondContact O-CB 3.35Å; A127-M131 WeakPolarHBondContact O-CG 3.16Å; A127-M131 PolarHBondContact O-N 3.47Å; E129-M131 PolarHBondContact O-N 2.88Å; M131-C134 PolarHBondContact O-N 3.22Å |
| 132 | L | 47.3 | Very low | 50.1 | Low | 123 Ų | 123 | 120.9 Ų | 120.9 | 64% | 0.644 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.5 | -32.4 | 177.7 | -76.2 | 165.6 | 0 | 0 | 0 | 112.4 | Q128 E129 C134 | Q128-L132 WeakPolarHBondContact O-CG 3.25Å; Q128-L132 PolarHBondContact O-N 3.42Å; E129-L132 WeakPolarHBondContact O-CB 3.26Å; E129-L132 PolarHBondContact O-N 2.87Å; L132-C134 PolarHBondContact O-N 3.4Å |
| 133 | D | 49.4 | Very low | 48.2 | Very low | 156 Ų | 156 | 121.4 Ų | 121.4 | 83% | 0.834 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -10.8 | 175.6 | -150.9 | 35 | 0 | 0 | 0 | 112.7 | | |
| 134 | C | 40.5 | Very low | 46.7 | Very low | 98 Ų | 98 | 118.9 Ų | 118.9 | 66% | 0.662 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.7 | 20.1 | 178.7 | -70.1 | 0 | 0 | 0 | 0 | 114.5 | M131 L132 P136 | M131-C134 PolarHBondContact O-N 3.22Å; L132-C134 PolarHBondContact O-N 3.4Å; C134-P136 WeakPolarHBondContact O-CD 3.26Å |
| 135 | Q | 37.1 | Very low | 45.3 | Very low | 150 Ų | 150 | 118.3 Ų | 118.3 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -84 | 120.2 | 171.3 | -88.4 | -127.6 | -113.1 | 0 | 0 | 112.3 | | |
| 136 | P | 41 | Very low | 43.8 | Very low | 110 Ų | 110 | 120.7 Ų | 120.7 | 71% | 0.714 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 137.4 | 162.7 | -17.7 | 31.9 | 0 | 0 | 0 | 110.2 | C134 | C134-P136 WeakPolarHBondContact O-CD 3.26Š|
| 137 | A | 37.1 | Very low | 41.7 | Very low | 85 Ų | 85 | 125.6 Ų | 125.6 | 70% | 0.702 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N139 | A137-N139 PolarHBondContact O-N 2.83Š|
| 138 | P | 38 | Very low | 40 | Very low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | | | trans | -70.3 | 105.3 | -178.2 | 27.9 | -34.2 | 0 | 0 | 0 | 111.3 | L140 | P138-L140 PolarHBondContact O-N 2.94Š|
| 139 | N | 39.9 | Very low | 38.4 | Very low | 166 Ų | 166 | 128.3 Ų | 128.3 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | | | trans | -72.9 | 93.8 | 177.5 | -110.5 | -43.3 | 0 | 0 | 0 | 111.8 | A137 | A137-N139 PolarHBondContact O-N 2.83Š|
| 140 | L | 32.1 | Very low | 36.9 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -146.5 | 129.5 | 162.3 | -127.2 | 68.5 | 0 | 0 | 0 | 105.2 | P138 | P138-L140 PolarHBondContact O-N 2.94Š|
| 141 | V | 31.2 | Very low | 35.3 | Very low | 135 Ų | 135 | 136.5 Ų | 136.5 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | | | cis | -133 | 142.8 | 36 | 171.9 | 0 | 0 | 0 | 0 | 111.6 | | |
| 142 | Q | 29.6 | Very low | 34.1 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | | | trans | -107.9 | 131.9 | 168.6 | -164 | 174.4 | 26.6 | 0 | 0 | 109.9 | | |
| 143 | A | 27 | Very low | 33.3 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | | | trans | -93.7 | 154.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 144 | P | 34.8 | Very low | 32.2 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | | | trans | -72.4 | 166.7 | 178.9 | 34.1 | -38.2 | 0 | 0 | 0 | 111.4 | | |
| 145 | V | 30.8 | Very low | 31.6 | Very low | 131 Ų | 131 | 130.6 Ų | 130.6 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | cis | -160.1 | -168.7 | 30.2 | -129.3 | 0 | 0 | 0 | 0 | 107.3 | | |
| 146 | P | 38.5 | Very low | 31.2 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | | | cis | -131 | -172.9 | -24.8 | 35.8 | -15.4 | 0 | 0 | 0 | 114.5 | | |
| 147 | F | 23.4 | Very low | 30.7 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | | | trans | -34.5 | 145 | 174.8 | -68 | -97.9 | 0 | 0 | 0 | 120.3 | | |
| 148 | S | 28.5 | Very low | 30.4 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 88% | 0.881 | 82% | 0.818 | S | S | * | * | | | | -158.2 | 153.5 | 121 | -86 | 0 | 0 | 0 | 0 | 114.4 | | |
| 149 | S | 26.3 | Very low | 29.9 | Very low | 112 Ų | 112 | 131.5 Ų | 131.5 | 78% | 0.783 | 82% | 0.819 | S | S | * | * | | | trans | -59.9 | 140.6 | -159 | -54 | 0 | 0 | 0 | 0 | 120.6 | | |
| 150 | Q | 28.3 | Very low | 29.4 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | | | trans | 17.4 | 133.5 | 137 | -56.5 | -179.3 | 13.1 | 0 | 0 | 120.8 | | |
| 151 | L | 27.8 | Very low | 29.2 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | | | trans | -147.2 | 140.4 | 130.3 | -126.5 | 168.3 | 0 | 0 | 0 | 110.4 | | |
| 152 | V | 27.8 | Very low | 29.2 | Very low | 134 Ų | 134 | 126.6 Ų | 126.6 | 81% | 0.812 | 81% | 0.814 | S | S | * | * | | | trans | -108.8 | 126.8 | -177.9 | 150.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 153 | S | 30.1 | Very low | 29 | Very low | 123 Ų | 123 | 123.3 Ų | 123.3 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | | | trans | -171.1 | 144.8 | 151.3 | -158.8 | 0 | 0 | 0 | 0 | 109 | | |
| 154 | G | 26.7 | Very low | 29.1 | Very low | 66 Ų | 66 | 125.4 Ų | 125.4 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | | | cis | 162.3 | 74.4 | -3.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 155 | G | 26.9 | Very low | 28.8 | Very low | 69 Ų | 69 | 126.1 Ų | 126.1 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | | | trans | 70.5 | 106.3 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 156 | Y | 29.7 | Very low | 28.7 | Very low | 246 Ų | 246 | 123 Ų | 123 | 97% | 0.965 | 81% | 0.809 | S | S | * | * | | | trans | -131.8 | 144.9 | 139.1 | -73.7 | -80 | 0 | 0 | 0 | 108.5 | | |
| 157 | G | 30.3 | Very low | 28.1 | Very low | 84 Ų | 84 | 124.9 Ų | 124.9 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | | | trans | -173.5 | 166.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 158 | G | 30.1 | Very low | 28.3 | Very low | 80 Ų | 80 | 119.8 Ų | 119.8 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | | | trans | 138.8 | 103.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 159 | G | 27.4 | Very low | 28.2 | Very low | 79 Ų | 79 | 118.4 Ų | 118.4 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | | | trans | 81.4 | 155.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 160 | V | 30.6 | Very low | 28.3 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | | | cis | -131.1 | 151.4 | -0.8 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 161 | G | 28.3 | Very low | 28.7 | Very low | 68 Ų | 68 | 119.9 Ų | 119.9 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | -80.3 | 135.7 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 162 | V | 29.7 | Very low | 28.7 | Very low | 138 Ų | 138 | 116.9 Ų | 116.9 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | | | trans | -18.8 | 143.6 | 141.6 | -161.8 | 0 | 0 | 0 | 0 | 115.8 | | |
| 163 | V | 26.8 | Very low | 28.7 | Very low | 121 Ų | 121 | 113.8 Ų | 113.8 | 73% | 0.733 | 81% | 0.807 | S | S | * | * | | | | 155.4 | 122.2 | 125.3 | 162 | 0 | 0 | 0 | 0 | 112.5 | | |
| 164 | T | 27.3 | Very low | 28.6 | Very low | 126 Ų | 126 | 116.9 Ų | 116.9 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | 157.1 | 134.9 | 137.6 | 44.9 | 0 | 0 | 0 | 0 | 108.2 | | |
| 165 | T | 29.6 | Very low | 28.7 | Very low | 131 Ų | 131 | 119.7 Ų | 119.7 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | cis | -154.8 | 149.7 | -11.6 | 21.6 | 0 | 0 | 0 | 0 | 106 | | |
| 166 | G | 28.3 | Very low | 28.7 | Very low | 66 Ų | 66 | 122.9 Ų | 122.9 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | | | | 61.6 | 128.9 | 81.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 167 | T | 25.8 | Very low | 28.6 | Very low | 148 Ų | 148 | 120 Ų | 120 | 91% | 0.908 | 81% | 0.806 | S | S | * | * | | | cis | -155.4 | -177.2 | 7.5 | 41.4 | 0 | 0 | 0 | 0 | 107.6 | | |
| 168 | A | 27.3 | Very low | 28.3 | Very low | 88 Ų | 88 | 119.8 Ų | 119.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | | | cis | -160.4 | 141.3 | 26.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 169 | A | 26.6 | Very low | 28.2 | Very low | 97 Ų | 97 | 122.7 Ų | 122.7 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | | | | 107 | 127.6 | 75.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 170 | F | 28 | Very low | 28.7 | Very low | 203 Ų | 203 | 124.4 Ų | 124.4 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | | | trans | -88.6 | 170.5 | 174.6 | -68.8 | -92.5 | 0 | 0 | 0 | 111.9 | | |
| 171 | P | 37 | Very low | 28.9 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 83% | 0.831 | 80% | 0.795 | S | S | * | * | | | | -116.2 | 156.7 | 125.5 | 34.7 | -32.7 | 0 | 0 | 0 | 112.5 | | |
| 172 | A | 27.5 | Very low | 29.3 | Very low | 109 Ų | 109 | 127.9 Ų | 127.9 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | | | trans | -104.4 | 164.3 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 173 | G | 27.9 | Very low | 29.1 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | | | trans | -171.3 | 91.8 | 177 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 174 | Q | 29.9 | Very low | 29 | Very low | 188 Ų | 188 | 128.2 Ų | 128.2 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | | | trans | 70.6 | 157.4 | 156.2 | -56.2 | -62.6 | -6.5 | 0 | 0 | 120.1 | | |
| 175 | V | 27.6 | Very low | 29.2 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 75% | 0.752 | 81% | 0.81 | S | S | * | * | | | trans | -150.1 | 150.4 | -167.4 | 175.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 176 | L | 28.1 | Very low | 29.1 | Very low | 137 Ų | 137 | 124 Ų | 124 | 72% | 0.717 | 80% | 0.804 | S | S | * | * | | | trans | 165.2 | 125.7 | 132.8 | -87.1 | 164.6 | 0 | 0 | 0 | 114.6 | | |
| 177 | Q | 25.9 | Very low | 29.8 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | 40.1 | 128.5 | 137.3 | -66 | 172.3 | -3.9 | 0 | 0 | 121.9 | | |
| 178 | G | 25.4 | Very low | 30 | Very low | 81 Ų | 81 | 128.2 Ų | 128.2 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | | | trans | -175.8 | 71.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 179 | V | 28.2 | Very low | 30.2 | Very low | 141 Ų | 141 | 129.3 Ų | 129.3 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | -124.9 | 156 | 164.4 | -115.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 180 | P | 37.9 | Very low | 30.3 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | | | cis | -128 | -147.9 | 12.5 | 42.4 | -21.2 | 0 | 0 | 0 | 110.1 | | |
| 181 | P | 34.4 | Very low | 30.5 | Very low | 116 Ų | 116 | 129.8 Ų | 129.8 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | | | cis | -133.7 | 179 | -6.4 | 41.6 | -23.1 | 0 | 0 | 0 | 116.8 | | |
| 182 | L | 36.3 | Very low | 30.4 | Very low | 176 Ų | 176 | 130.1 Ų | 130.1 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | | | trans | -77.3 | 138.2 | 170.6 | -160.2 | 76 | 0 | 0 | 0 | 111 | | |
| 183 | A | 25.4 | Very low | 30.6 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | | | trans | -143.4 | 143.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 184 | N | 24.9 | Very low | 30.9 | Very low | 170 Ų | 170 | 131.5 Ų | 131.5 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | | | trans | -72.1 | 162 | -171.9 | -163.7 | 10.6 | 0 | 0 | 0 | 113.1 | | |
| 185 | G | 30.3 | Very low | 31.1 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | | | trans | -64.1 | 151.6 | -165 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 186 | S | 28.4 | Very low | 31.6 | Very low | 97 Ų | 97 | 131.5 Ų | 131.5 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | | | trans | -148 | 140.4 | 163.3 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | Q188 | S186-Q188 PolarHBondContact O-N 3.36Š|
| 187 | T | 43.2 | Very low | 31.9 | Very low | 138 Ų | 138 | 128.7 Ų | 128.7 | 85% | 0.847 | 78% | 0.777 | S | S | * | * | | | trans | -68.6 | 117.1 | 179.5 | 36.2 | 0 | 0 | 0 | 0 | 110.9 | | |
| 188 | Q | 29.9 | Very low | 32.5 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | | | trans | -108.2 | 110.4 | 178 | -72.1 | -60.9 | -47.8 | 0 | 0 | 111.8 | S186 | S186-Q188 PolarHBondContact O-N 3.36Š|
| 189 | H | 30.6 | Very low | 33 | Very low | 112 Ų | 112 | 126.8 Ų | 126.8 | 52% | 0.519 | 78% | 0.777 | S | S | . | * | | | trans | -61.4 | 120.4 | -178.1 | -170.8 | -48.1 | 0 | 0 | 0 | 111.7 | Q191 | H189-Q191 PolarHBondContact O-N 3.23Š|
| 190 | I | 30.3 | Very low | 33.4 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | | | trans | -69.9 | 126.7 | 166.6 | -62.4 | 177.9 | 0 | 0 | 0 | 107.9 | V192 | I190-V192 HydrophobicContact CG2-CG2 4.23Š|
| 191 | Q | 31.1 | Very low | 33.2 | Very low | 161 Ų | 161 | 122.4 Ų | 122.4 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | | | trans | -112 | 112.4 | 171.9 | -68.7 | -175.1 | -5 | 0 | 0 | 108.9 | H189 L193 | H189-Q191 PolarHBondContact O-N 3.23Å; Q191-L193 PolarHBondContact O-N 3.15Å |
| 192 | V | 34.6 | Very low | 33.3 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -89.9 | 102.9 | 171.4 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | I190 G194 | I190-V192 HydrophobicContact CG2-CG2 4.23Å; V192-G194 VanDerWaalsContact C-N 3.28Å; V192-G194 PolarHBondContact O-N 3.24Å |
| 193 | L | 33 | Very low | 33.1 | Very low | 171 Ų | 171 | 123.3 Ų | 123.3 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | | | trans | -77.9 | 76.3 | 179.6 | -174.8 | 60.4 | 0 | 0 | 0 | 111 | Q191 S195 | Q191-L193 PolarHBondContact O-N 3.15Å; L193-S195 PolarHBondContact O-N 2.96Å |
| 194 | G | 34.2 | Very low | 33.8 | Very low | 37 Ų | 37 | 123.2 Ų | 123.2 | 38% | 0.381 | 77% | 0.772 | S | S | . | * | | | trans | -69.8 | 119.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V192 F196 | V192-G194 VanDerWaalsContact C-N 3.28Å; V192-G194 PolarHBondContact O-N 3.24Å; G194-F196 WeakPolarHBondContact O-CD2 3.27Å; G194-F196 PolarHBondContact O-N 2.92Å; G194-F196 VanDerWaalsContact O-N 3.16Å |
| 195 | S | 33.4 | Very low | 34.1 | Very low | 127 Ų | 127 | 123.5 Ų | 123.5 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | | | trans | -82.4 | 93.2 | 177.7 | -160.9 | 0 | 0 | 0 | 0 | 110.3 | L193 | L193-S195 PolarHBondContact O-N 2.96Š|
| 196 | F | 37.2 | Very low | 34 | Very low | 185 Ų | 185 | 125.6 Ų | 125.6 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | | | trans | -108.6 | 146 | 174.4 | -60.1 | -74.3 | 0 | 0 | 0 | 111 | G194 A198 | G194-F196 WeakPolarHBondContact O-CD2 3.27Å; G194-F196 PolarHBondContact O-N 2.92Å; G194-F196 VanDerWaalsContact O-N 3.16Å; F196-A198 PolarHBondContact O-N 3.43Å |
| 197 | G | 35.4 | Very low | 34.1 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -70.9 | 112.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S199 | G197-S199 PolarHBondContact O-N 3.37Š|
| 198 | A | 39.1 | Very low | 33.6 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 51.5 | 50.3 | 150 | 0 | 0 | 0 | 0 | 0 | 119.1 | F196 | F196-A198 PolarHBondContact O-N 3.43Š|
| 199 | S | 35 | Very low | 34.1 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | trans | -165.7 | 145.4 | 137.9 | 44.3 | 0 | 0 | 0 | 0 | 111.1 | G197 | G197-S199 PolarHBondContact O-N 3.37Š|
| 200 | G | 37.3 | Very low | 34.3 | Very low | 88 Ų | 88 | 132.6 Ų | 132.6 | 91% | 0.907 | 80% | 0.795 | S | S | * | * | | | trans | -100.3 | 133.6 | -167.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 201 | G | 33.2 | Very low | 34.3 | Very low | 76 Ų | 76 | 131.8 Ų | 131.8 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | -153.8 | 128.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 202 | V | 35.8 | Very low | 34.4 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | | | trans | -110.1 | 129.5 | -178.6 | -177.8 | 0 | 0 | 0 | 0 | 109 | | |
| 203 | M | 32.2 | Very low | 34.2 | Very low | 180 Ų | 180 | 131.8 Ų | 131.8 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | | | trans | -107 | 141.2 | 165.1 | -62.3 | -166.9 | -156.7 | 0 | 0 | 109.8 | | |
| 204 | T | 39.8 | Very low | 34.2 | Very low | 94 Ų | 94 | 130.8 Ų | 130.8 | 58% | 0.577 | 79% | 0.792 | S | S | * | * | | | trans | -116.9 | 141.4 | 167 | 52.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 205 | L | 32.7 | Very low | 34.1 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 93% | 0.927 | 81% | 0.809 | S | S | * | * | | | trans | -107.3 | 129.5 | 176 | -67.2 | 174.3 | 0 | 0 | 0 | 109.2 | | |
| 206 | S | 27.8 | Very low | 33.9 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | | | trans | -120.9 | 155.1 | 176.4 | -67 | 0 | 0 | 0 | 0 | 109.8 | | |
| 207 | S | 29.5 | Very low | 33.6 | Very low | 112 Ų | 112 | 138.6 Ų | 138.6 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | | | trans | -16.5 | 125.9 | -175.2 | -53.6 | 0 | 0 | 0 | 0 | 118.3 | E209 | S207-E209 VanDerWaalsContact C-N 3.31Å; S207-E209 PolarHBondContact O-N 3.08Å |
| 208 | L | 34.2 | Very low | 33.4 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | trans | -77.5 | 75.4 | 172.6 | -175.2 | 62.2 | 0 | 0 | 0 | 111.4 | | |
| 209 | E | 39.1 | Very low | 32.9 | Very low | 159 Ų | 159 | 140 Ų | 140 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | | | trans | -128.7 | 113.9 | 165 | -70.7 | -174 | -179.9 | 0 | 0 | 109.5 | S207 | S207-E209 VanDerWaalsContact C-N 3.31Å; S207-E209 PolarHBondContact O-N 3.08Å |
| 210 | R | 35.3 | Very low | 32.5 | Very low | 226 Ų | 226 | 140.9 Ų | 140.9 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | S | Bend | trans | 80.5 | 154.7 | -163.5 | -55.2 | -179.1 | 177 | 77.2 | 1.9 | 115.3 | | |
| 211 | T | 30.8 | Very low | 32.4 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | | | trans | -76.2 | 135.7 | -178.5 | 39.2 | 0 | 0 | 0 | 0 | 112.3 | Q213 | T211-Q213 PolarHBondContact O-N 2.93Š|
| 212 | P | 33.2 | Very low | 32.1 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | | | trans | -81.5 | 110 | 175.1 | 31.1 | -32.4 | 0 | 0 | 0 | 111.1 | | |
| 213 | Q | 29.9 | Very low | 31.8 | Very low | 184 Ų | 184 | 143.6 Ų | 143.6 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | | | trans | -99.4 | 105.5 | 175.1 | -164.6 | 171.2 | 42 | 0 | 0 | 109.9 | T211 | T211-Q213 PolarHBondContact O-N 2.93Š|
| 214 | I | 34.1 | Very low | 32.2 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | -84.2 | 126.3 | -176.5 | -60.4 | 178.3 | 0 | 0 | 0 | 110.2 | L216 | I214-L216 HydrophobicContact CG2-CG 4.37Š|
| 215 | V | 30.6 | Very low | 31.5 | Very low | 120 Ų | 120 | 141.8 Ų | 141.8 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | | | trans | -113.9 | 127.1 | 176.2 | 178 | 0 | 0 | 0 | 0 | 109.6 | | |
| 216 | L | 30.6 | Very low | 31.3 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 83% | 0.827 | 81% | 0.811 | S | S | * | * | | | trans | -121 | 141.5 | 174.5 | -71.9 | 168.8 | 0 | 0 | 0 | 110.5 | I214 | I214-L216 HydrophobicContact CG2-CG 4.37Š|
| 217 | R | 30.2 | Very low | 31.3 | Very low | 236 Ų | 236 | 140.9 Ų | 140.9 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | trans | -103.3 | 145.4 | 177.8 | -74.4 | -178.7 | 172 | 177.3 | -2.5 | 110.8 | | |
| 218 | P | 31.5 | Very low | 31.2 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 89% | 0.89 | 81% | 0.809 | S | S | * | * | | | trans | -71.7 | 151.9 | 177.4 | -16.8 | 31.5 | 0 | 0 | 0 | 113.8 | | |
| 219 | G | 27.3 | Very low | 31 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | | | trans | -126.3 | 156 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 220 | V | 28.3 | Very low | 30.5 | Very low | 139 Ų | 139 | 133.6 Ų | 133.6 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | | | trans | -98 | 142.3 | -166.5 | 177.7 | 0 | 0 | 0 | 0 | 112 | | |
| 221 | P | 34.3 | Very low | 30.1 | Very low | 114 Ų | 114 | 126.4 Ų | 126.4 | 74% | 0.74 | 81% | 0.814 | S | S | * | * | | | trans | -81.3 | 159.9 | -179.1 | 33.4 | -37.6 | 0 | 0 | 0 | 114.5 | | |
| 222 | V | 27.3 | Very low | 30 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 90% | 0.903 | 82% | 0.816 | S | S | * | * | | | trans | -135.6 | 147.9 | 171.8 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 223 | A | 28.7 | Very low | 29.8 | Very low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | | | trans | -94 | 168.6 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 224 | P | 41.9 | Very low | 29.5 | Very low | 132 Ų | 132 | 130.3 Ų | 130.3 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | | | trans | -90 | 170.3 | -166.2 | 36.5 | -36.5 | 0 | 0 | 0 | 115.1 | | |
| 225 | A | 25.2 | Very low | 29.2 | Very low | 104 Ų | 104 | 127.2 Ų | 127.2 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | | | trans | -129.2 | 149.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 226 | V | 27.5 | Very low | 29.7 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 81% | 0.812 | 82% | 0.816 | S | S | * | * | | | trans | -97.7 | 147.4 | -164.3 | 175.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 227 | T | 28.2 | Very low | 29.4 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | | | trans | 166.6 | 156 | 138.4 | 34.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 228 | A | 27.3 | Very low | 29.3 | Very low | 84 Ų | 84 | 124.3 Ų | 124.3 | 69% | 0.694 | 82% | 0.82 | S | S | * | * | | | cis | -169 | 160.7 | -26.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 229 | A | 29.6 | Very low | 29.1 | Very low | 107 Ų | 107 | 121.4 Ų | 121.4 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | | | trans | 69.8 | 147.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 230 | G | 28 | Very low | 29.1 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | | | trans | 103.7 | 129.3 | 150.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 231 | G | 28.1 | Very low | 29.1 | Very low | 75 Ų | 75 | 127.2 Ų | 127.2 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | | | trans | -143.9 | -170.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 232 | Q | 28.5 | Very low | 28.7 | Very low | 179 Ų | 179 | 124.9 Ų | 124.9 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | | | trans | 90 | 101.6 | -178.2 | -55.1 | -70.7 | 35.5 | 0 | 0 | 117.9 | | |
| 233 | V | 28.6 | Very low | 29 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | | 39.7 | 114.3 | 126.2 | -176.5 | 0 | 0 | 0 | 0 | 118.8 | | |
| 234 | F | 24.7 | Very low | 29.4 | Very low | 211 Ų | 211 | 127.5 Ų | 127.5 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | | | trans | -160.4 | 154.7 | 131.4 | -110.9 | -73.4 | 0 | 0 | 0 | 111.6 | | |
| 235 | A | 26.8 | Very low | 28.8 | Very low | 84 Ų | 84 | 131.1 Ų | 131.1 | 69% | 0.694 | 82% | 0.823 | S | S | * | * | | | trans | -151.6 | 172 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 236 | P | 41 | Very low | 29 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 74% | 0.74 | 82% | 0.821 | S | S | * | * | | | cis | -125.6 | -173.5 | -4.4 | 42.5 | -28.7 | 0 | 0 | 0 | 112.7 | | |
| 237 | T | 25.3 | Very low | 29 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | | | trans | -175.4 | 170.1 | 133.3 | 18.9 | 0 | 0 | 0 | 0 | 114.2 | | |
| 238 | Q | 26.5 | Very low | 29.4 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 93% | 0.93 | 82% | 0.819 | S | S | * | * | | | trans | -68.1 | 155 | -166.6 | -61.1 | 161.1 | -49 | 0 | 0 | 116.3 | | |
| 239 | G | 27.9 | Very low | 29.6 | Very low | 76 Ų | 76 | 137.5 Ų | 137.5 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | trans | -168 | 134.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 240 | Q | 27.2 | Very low | 29.8 | Very low | 193 Ų | 193 | 140.3 Ų | 140.3 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | | | trans | -80.8 | 166.9 | 166.7 | -66.5 | 165.2 | -59.9 | 0 | 0 | 108.4 | | |
| 241 | V | 29.4 | Very low | 30.2 | Very low | 142 Ų | 142 | 144 Ų | 144 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | | -161.7 | 152.8 | 62.5 | 172.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 242 | G | 25.5 | Very low | 30.2 | Very low | 64 Ų | 64 | 147.8 Ų | 147.8 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 159.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 243 | L | 32.7 | Very low | 30.5 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -97 | 134.5 | 178.2 | -65.5 | 170.9 | 0 | 0 | 0 | 112.1 | | |
| 244 | P | 36.9 | Very low | 30.7 | Very low | 118 Ų | 118 | 148.2 Ų | 148.2 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 152.7 | 162.6 | 35.5 | -29.2 | 0 | 0 | 0 | 113.2 | | |
| 245 | F | 29.1 | Very low | 31.1 | Very low | 208 Ų | 208 | 145.5 Ų | 145.5 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 160.3 | -169.8 | -68.5 | -96.1 | 0 | 0 | 0 | 119.8 | | |
| 246 | K | 29.1 | Very low | 31.2 | Very low | 188 Ų | 188 | 150 Ų | 150 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 142.6 | 164.4 | -75.6 | 177.4 | 173.7 | 175.9 | 0 | 112.4 | | |
| 247 | N | 28.5 | Very low | 30.8 | Very low | 160 Ų | 160 | 156 Ų | 156 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | | | trans | -153.9 | 135.1 | 134.8 | -119.4 | -96.9 | 0 | 0 | 0 | 108.7 | | |
| 248 | I | 36.4 | Very low | 31.1 | Very low | 148 Ų | 148 | 152.6 Ų | 152.6 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | | | trans | -135.2 | 108.9 | -178.6 | -58 | 176.1 | 0 | 0 | 0 | 108.4 | | |
| 249 | P | 31.1 | Very low | 31.7 | Very low | 97 Ų | 97 | 149.9 Ų | 149.9 | 63% | 0.63 | 81% | 0.814 | S | S | * | * | | | trans | -80.8 | 147.9 | 166.3 | 33 | -32.4 | 0 | 0 | 0 | 110.7 | | |
| 250 | L | 34.3 | Very low | 31.8 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | | | trans | -72.9 | 149.8 | 170.2 | -65.7 | 167.4 | 0 | 0 | 0 | 110.3 | | |
| 251 | Q | 36.1 | Very low | 31.8 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 77% | 0.766 | 81% | 0.81 | S | S | * | * | | | trans | -132.1 | 123.9 | -177.8 | -133.3 | 87.7 | 112 | 0 | 0 | 111.6 | | |
| 252 | N | 28.2 | Very low | 31.9 | Very low | 155 Ų | 155 | 144.2 Ų | 144.2 | 83% | 0.829 | 81% | 0.809 | S | S | * | * | | | trans | -74 | 144.4 | -179.9 | -70.3 | -18.6 | 0 | 0 | 0 | 111.9 | | |
| 253 | I | 36 | Very low | 32.2 | Very low | 165 Ų | 165 | 149.3 Ų | 149.3 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | | | trans | -87.8 | 126.5 | 174.9 | -60.7 | 175.6 | 0 | 0 | 0 | 109.3 | | |
| 254 | I | 32.9 | Very low | 32.1 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 73% | 0.728 | 81% | 0.81 | S | S | * | * | | | trans | -106.5 | 125 | 177.5 | -60.1 | 175.3 | 0 | 0 | 0 | 109.7 | | |
| 255 | I | 31.8 | Very low | 31.7 | Very low | 155 Ų | 155 | 147 Ų | 147 | 80% | 0.795 | 81% | 0.809 | S | S | * | * | | | trans | -90 | 115.4 | 175 | -57.8 | 176 | 0 | 0 | 0 | 109.4 | | |
| 256 | Q | 29.4 | Very low | 31.7 | Very low | 179 Ų | 179 | 143.7 Ų | 143.7 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91 | 126 | 174 | -69.6 | 176.2 | 53.7 | 0 | 0 | 111 | | |
| 257 | R | 31.8 | Very low | 31.8 | Very low | 238 Ų | 238 | 144.7 Ų | 144.7 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 152.8 | 167.7 | -76.3 | -171.2 | 177.2 | -172.2 | 1.8 | 111.1 | | |
| 258 | G | 32.6 | Very low | 32 | Very low | 71 Ų | 71 | 143.2 Ų | 143.2 | 73% | 0.732 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 160.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 259 | P | 38.4 | Very low | 31.6 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 145 | -160.9 | 33 | -36.7 | 0 | 0 | 0 | 114.9 | | |
| 260 | G | 29.4 | Very low | 31.4 | Very low | 84 Ų | 84 | 147.6 Ų | 147.6 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | | | trans | -179 | 51.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 261 | G | 29 | Very low | 31.2 | Very low | 71 Ų | 71 | 145.4 Ų | 145.4 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | S | Bend | trans | 162.5 | 107.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 262 | T | 30.1 | Very low | 30.7 | Very low | 137 Ų | 137 | 147.3 Ų | 147.3 | 84% | 0.84 | 82% | 0.818 | S | S | * | * | | | trans | 43.8 | 95.2 | 153 | 50.6 | 0 | 0 | 0 | 0 | 121.7 | | |
| 263 | Q | 32.5 | Very low | 30.8 | Very low | 171 Ų | 171 | 145 Ų | 145 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | | | | 60.2 | 100.9 | 123.5 | -60.5 | -74.5 | 36.6 | 0 | 0 | 121.6 | | |
| 264 | A | 29.6 | Very low | 30.4 | Very low | 98 Ų | 98 | 142.1 Ų | 142.1 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | | | | -157.9 | 142.4 | 127.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 265 | I | 29.6 | Very low | 30.1 | Very low | 147 Ų | 147 | 144 Ų | 144 | 75% | 0.754 | 81% | 0.812 | S | S | * | * | | | trans | -120.4 | 125.5 | 178.3 | -64.8 | 174.3 | 0 | 0 | 0 | 109.8 | | |
| 266 | V | 29.2 | Very low | 30 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 84% | 0.842 | 81% | 0.813 | S | S | * | * | | | trans | -129.1 | 137.7 | 167.4 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | | |
| 267 | R | 31 | Very low | 29.8 | Very low | 210 Ų | 210 | 136.8 Ų | 136.8 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | trans | -92.6 | 145.2 | 175.8 | -69.8 | -173.2 | 179.8 | 93 | -2.5 | 110.6 | | |
| 268 | P | 31.8 | Very low | 29.7 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | trans | -70.5 | 133.3 | 169.6 | 30.4 | -33.7 | 0 | 0 | 0 | 110.4 | | |
| 269 | I | 28 | Very low | 29.5 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -131.9 | 136.9 | 169.2 | -61.5 | -176.6 | 0 | 0 | 0 | 109 | | |
| 270 | Q | 28.1 | Very low | 28.8 | Very low | 176 Ų | 176 | 134.1 Ų | 134.1 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -74.3 | 143.3 | -174.2 | -172.7 | 176.5 | 44.4 | 0 | 0 | 112 | | |
| 271 | P | 29.8 | Very low | 28.5 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | trans | -69.2 | 141.8 | 178.1 | 28.3 | -34.9 | 0 | 0 | 0 | 112.2 | | |
| 272 | K | 25.1 | Very low | 28.3 | Very low | 204 Ų | 204 | 140 Ų | 140 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | | | trans | -136.9 | 154 | 168.7 | -110.6 | -171.1 | 174.1 | -178.3 | 0 | 110.5 | | |
| 273 | P | 30.9 | Very low | 28 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 70% | 0.695 | 78% | 0.776 | S | S | * | * | | | trans | -100.9 | 152.6 | -158.9 | 37.7 | -36.2 | 0 | 0 | 0 | 116.4 | | |
| 274 | S | 26.4 | Very low | 27.6 | Very low | 104 Ų | 104 | 138 Ų | 138 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | 65.7 | 160.8 | 142.6 | 70.7 | 0 | 0 | 0 | 0 | 122.7 | | |
| 275 | Q | 28.6 | Very low | 27.3 | Very low | 182 Ų | 182 | 136.1 Ų | 136.1 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | | | trans | 81.7 | 120.7 | 176.5 | -53.1 | -168.1 | 16.1 | 0 | 0 | 115.1 | | |
| 276 | A | 28.6 | Very low | 27.2 | Very low | 100 Ų | 100 | 137.6 Ų | 137.6 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | | | | 94.2 | 152.7 | 55 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 277 | A | 25.6 | Very low | 26.9 | Very low | 82 Ų | 82 | 139.7 Ų | 139.7 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | | | cis | -142.9 | 176.7 | 9.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 278 | S | 29.1 | Very low | 27.2 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | | | | 167.1 | 158.2 | 76.6 | 49.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 279 | Q | 28.4 | Very low | 26.8 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | | | cis | -162.8 | 151.8 | -14.9 | -114 | -75.4 | -1 | 0 | 0 | 109.7 | | |
| 280 | T | 25 | Very low | 27.3 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | | | trans | -175.9 | -178 | 154.3 | 14.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 281 | V | 23 | Very low | 27.3 | Very low | 99 Ų | 99 | 128.5 Ų | 128.5 | 60% | 0.6 | 76% | 0.76 | S | S | * | * | | | trans | -131.8 | 161.9 | -171 | -70.2 | 0 | 0 | 0 | 0 | 109.8 | | |
| 282 | F | 23.8 | Very low | 27.1 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | | | cis | -123.7 | 166 | 20.2 | -70.1 | -82.8 | 0 | 0 | 0 | 111.4 | | |
| 283 | S | 24 | Very low | 27.3 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | | 64.9 | 134 | 52.6 | -22.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 284 | L | 24.4 | Very low | 27.1 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | cis | -164 | 158.4 | 2.6 | -172.9 | 68.9 | 0 | 0 | 0 | 108.2 | | |
| 285 | G | 23.5 | Very low | 27 | Very low | 59 Ų | 59 | 127.5 Ų | 127.5 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | | | cis | 153.7 | 168.3 | -7.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 286 | L | 26.1 | Very low | 27.1 | Very low | 179 Ų | 179 | 124.5 Ų | 124.5 | 94% | 0.937 | 76% | 0.758 | S | S | * | * | | | trans | 78 | 148.9 | 173.2 | -59.4 | 175.5 | 0 | 0 | 0 | 120.9 | | |
| 287 | Q | 23.5 | Very low | 27.1 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 85% | 0.85 | 76% | 0.756 | S | S | * | * | | | trans | -97.6 | -176.9 | 171.8 | -108.8 | -171.9 | -48.7 | 0 | 0 | 110.5 | | |
| 288 | P | 38 | Very low | 27.2 | Very low | 88 Ų | 88 | 129 Ų | 129 | 57% | 0.571 | 76% | 0.761 | S | S | * | * | | | cis | -139.7 | 150.1 | -29.2 | 35.3 | -17.6 | 0 | 0 | 0 | 115.9 | | |
| 289 | T | 23.8 | Very low | 27.2 | Very low | 138 Ų | 138 | 127 Ų | 127 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | | | trans | 58 | 175 | 156.2 | 54.4 | 0 | 0 | 0 | 0 | 119.3 | | |
| 290 | P | 38.3 | Very low | 27.3 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 71% | 0.714 | 76% | 0.757 | S | S | * | * | | | cis | -125.9 | -156.1 | -13.4 | 41.8 | -24.7 | 0 | 0 | 0 | 113.3 | | |
| 291 | S | 26.8 | Very low | 27.4 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | | | trans | 78.9 | 150.1 | 154.7 | 70.1 | 0 | 0 | 0 | 0 | 120.5 | | |
| 292 | T | 27.1 | Very low | 27.7 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 72% | 0.718 | 76% | 0.762 | S | S | * | * | | | cis | -171.2 | 144.2 | -22.2 | -85 | 0 | 0 | 0 | 0 | 108.7 | | |
| 293 | L | 28.1 | Very low | 28 | Very low | 173 Ų | 173 | 125.6 Ų | 125.6 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | | | trans | -169.8 | 155.9 | 136.7 | -104.6 | 177.4 | 0 | 0 | 0 | 111.7 | | |
| 294 | S | 26.8 | Very low | 28.6 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | | | trans | -148 | 140.6 | -162.7 | -44.5 | 0 | 0 | 0 | 0 | 114 | | |
| 295 | S | 25.4 | Very low | 28.6 | Very low | 121 Ų | 121 | 122.6 Ų | 122.6 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | | | trans | -172.4 | 148.3 | 159.7 | -167.5 | 0 | 0 | 0 | 0 | 111.5 | | |
| 296 | V | 29.8 | Very low | 28.8 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | | | | -169 | 133.7 | -53.8 | 129.1 | 0 | 0 | 0 | 0 | 109.7 | | |
| 297 | V | 29.7 | Very low | 28.8 | Very low | 129 Ų | 129 | 123.4 Ų | 123.4 | 78% | 0.782 | 77% | 0.769 | S | S | * | * | | | trans | 66.2 | 145.9 | 165.2 | 165.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 298 | N | 27.2 | Very low | 29 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | cis | -146.3 | 127.5 | 24.8 | -140.9 | 14.4 | 0 | 0 | 0 | 107.6 | | |
| 299 | A | 29.1 | Very low | 28.6 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 59% | 0.587 | 78% | 0.78 | S | S | * | * | | | | 87.7 | 123 | 65.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 300 | N | 30.1 | Very low | 28.6 | Very low | 150 Ų | 150 | 126.1 Ų | 126.1 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | | | trans | 74 | 147.2 | 152.7 | -62.6 | -2.7 | 0 | 0 | 0 | 119.5 | | |
| 301 | T | 27.6 | Very low | 28.2 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 73% | 0.73 | 79% | 0.79 | S | S | * | * | | | cis | -168.8 | 173.3 | -8.5 | 23.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 302 | V | 28.2 | Very low | 28.3 | Very low | 131 Ų | 131 | 126.8 Ų | 126.8 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | | | trans | 90 | 95.1 | 156.7 | -164.2 | 0 | 0 | 0 | 0 | 119.3 | | |
| 303 | T | 29.9 | Very low | 28.3 | Very low | 130 Ų | 130 | 126.2 Ų | 126.2 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | | | trans | -74.7 | 152.1 | 141.6 | 49.4 | 0 | 0 | 0 | 0 | 110.3 | | |
| 304 | P | 36.2 | Very low | 28.3 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | | | | -158.6 | 160.3 | 84.9 | 40.9 | -21.4 | 0 | 0 | 0 | 118.9 | | |
| 305 | G | 25.2 | Very low | 28.5 | Very low | 83 Ų | 83 | 125.8 Ų | 125.8 | 86% | 0.856 | 78% | 0.781 | S | S | * | * | | | trans | 93 | 144.9 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 306 | G | 27.8 | Very low | 28.6 | Very low | 72 Ų | 72 | 126 Ų | 126 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | | | cis | -157.6 | 151.5 | -2.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 307 | Q | 25.5 | Very low | 28.5 | Very low | 183 Ų | 183 | 128.3 Ų | 128.3 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | -83.4 | 139.3 | -179.1 | -63.7 | 166.8 | -27.5 | 0 | 0 | 111 | | |
| 308 | Y | 29 | Very low | 28.6 | Very low | 234 Ų | 234 | 127 Ų | 127 | 92% | 0.918 | 78% | 0.775 | S | S | * | * | | | trans | -129.9 | 142.7 | 153.1 | -75.6 | -72.2 | 0 | 0 | 0 | 110.4 | | |
| 309 | T | 28.2 | Very low | 28.8 | Very low | 123 Ų | 123 | 125.8 Ų | 125.8 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | | | trans | -99 | 133.2 | -163.9 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 310 | A | 25.6 | Very low | 28.8 | Very low | 109 Ų | 109 | 129.6 Ų | 129.6 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | | | trans | -58.3 | 138.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 311 | N | 28.8 | Very low | 28.7 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | | | trans | -156.6 | 144.4 | 172.7 | -149 | -28.3 | 0 | 0 | 0 | 109.5 | | |
| 312 | G | 29.4 | Very low | 29.1 | Very low | 66 Ų | 66 | 132.2 Ų | 132.2 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | | | trans | 92.9 | 90.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 313 | S | 26.8 | Very low | 29.2 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | | | trans | -72.6 | 133.1 | 162.8 | 171.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 314 | I | 28.3 | Very low | 29.4 | Very low | 151 Ų | 151 | 135.5 Ų | 135.5 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | | | trans | -125.7 | 104.6 | 156.7 | -65 | -178.1 | 0 | 0 | 0 | 107.8 | V316 | I314-V316 HydrophobicContact CG2-CG2 3.96Š|
| 315 | V | 30.5 | Very low | 29 | Very low | 116 Ų | 116 | 138.7 Ų | 138.7 | 70% | 0.703 | 79% | 0.791 | S | S | * | * | | | trans | -80.9 | 113.7 | 164.6 | 173.9 | 0 | 0 | 0 | 0 | 108 | | |
| 316 | V | 26.9 | Very low | 29.2 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | | | trans | -119.6 | 103.3 | 156.1 | 174.3 | 0 | 0 | 0 | 0 | 106.7 | I314 | I314-V316 HydrophobicContact CG2-CG2 3.96Š|
| 317 | Q | 27.8 | Very low | 29.3 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -82.6 | 139.6 | 174.4 | -158.9 | 158.9 | 3.8 | 0 | 0 | 108.5 | | |
| 318 | P | 33.5 | Very low | 29.7 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | | | trans | -82.7 | 152 | -159.6 | 31.8 | -36.7 | 0 | 0 | 0 | 113.3 | M320 | P318-M320 PolarHBondContact O-N 2.93Š|
| 319 | P | 30.3 | Very low | 29.6 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | trans | -74 | 109.7 | 154.7 | 31.4 | -28.9 | 0 | 0 | 0 | 108.9 | | |
| 320 | M | 30 | Very low | 29.7 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | | | trans | -72.6 | 139 | 144.3 | -90.8 | -164.1 | 69.9 | 0 | 0 | 107.7 | P318 Q322 | P318-M320 PolarHBondContact O-N 2.93Å; M320-Q322 HydrophobicContact CE-CB 4.43Å |
| 321 | D | 27.9 | Very low | 30 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | trans | -137.2 | 135.1 | 157.7 | -122.1 | -41.8 | 0 | 0 | 0 | 109.6 | | |
| 322 | Q | 34.8 | Very low | 29.9 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | | | trans | -148.6 | 80.7 | -170.4 | -174.4 | -167.8 | 96.7 | 0 | 0 | 110.1 | M320 | M320-Q322 HydrophobicContact CE-CB 4.43Š|
| 323 | Q | 31.8 | Very low | 30 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | | | trans | -151.1 | 107.5 | 167 | -142.7 | 157.3 | 5.3 | 0 | 0 | 108.1 | | |
| 324 | Q | 32.8 | Very low | 30.2 | Very low | 168 Ų | 168 | 142.9 Ų | 142.9 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | | 61.1 | 110.5 | 77.9 | -172.4 | -167.3 | 54.1 | 0 | 0 | 111.7 | | |
| 325 | M | 27.5 | Very low | 30.2 | Very low | 186 Ų | 186 | 144 Ų | 144 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | | | trans | -129.1 | 138.9 | 167.4 | -165.8 | 172.3 | -168.6 | 0 | 0 | 109.5 | | |
| 326 | Q | 30.6 | Very low | 30.1 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | | | trans | -82.2 | 140.6 | -175.1 | -64.1 | 164 | -46 | 0 | 0 | 111.4 | | |
| 327 | A | 28.5 | Very low | 30.1 | Very low | 92 Ų | 92 | 149.5 Ų | 149.5 | 76% | 0.76 | 79% | 0.791 | S | S | * | * | | | trans | -121.6 | 123 | 159.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 328 | Q | 34.5 | Very low | 30.6 | Very low | 197 Ų | 197 | 148.5 Ų | 148.5 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | | | trans | -79.1 | 119.9 | 175.7 | -68.9 | 178.6 | -8.1 | 0 | 0 | 109.8 | | |
| 329 | T | 27.3 | Very low | 30.4 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | -121.3 | 100.5 | 165.2 | 47 | 0 | 0 | 0 | 0 | 110.2 | | |
| 330 | N | 30.7 | Very low | 30.3 | Very low | 101 Ų | 101 | 151 Ų | 151 | 54% | 0.54 | 80% | 0.798 | S | S | . | * | | | trans | -80.5 | 111.4 | 171 | 168.5 | 60.1 | 0 | 0 | 0 | 109.4 | K637 | N330-K637 WeakPolarHBondContact OD1-CD 3.5Å; N330-K637 PolarHBondContact OD1-NZ 3.45Å |
| 331 | I | 31.3 | Very low | 30.2 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | trans | -142.6 | 130.8 | 173 | 19.9 | 174.6 | 0 | 0 | 0 | 110.3 | | |
| 332 | S | 27.4 | Very low | 30.3 | Very low | 114 Ų | 114 | 149.3 Ų | 149.3 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | | | trans | -86.6 | 157.6 | -178.9 | -52.7 | 0 | 0 | 0 | 0 | 112 | | |
| 333 | Q | 30.5 | Very low | 30 | Very low | 195 Ų | 195 | 147.4 Ų | 147.4 | 91% | 0.911 | 80% | 0.799 | S | S | * | * | | | trans | -69.9 | 156.3 | 176.8 | -62.2 | 173.4 | -10.1 | 0 | 0 | 112.8 | | |
| 334 | G | 30.3 | Very low | 29.8 | Very low | 71 Ų | 71 | 147.6 Ų | 147.6 | 73% | 0.732 | 81% | 0.805 | S | S | * | * | | | trans | 114.2 | 73.6 | 145.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 335 | Q | 29.2 | Very low | 29.6 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | | | | -174.1 | 122.5 | 128.9 | -108.4 | -179.6 | 57.4 | 0 | 0 | 111.7 | | |
| 336 | F | 28.3 | Very low | 29.7 | Very low | 207 Ų | 207 | 142.3 Ų | 142.3 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | | | trans | -116.4 | 115.1 | 162.4 | -91.4 | -84 | 0 | 0 | 0 | 108.9 | | |
| 337 | L | 27 | Very low | 29.4 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | | | trans | -102.8 | 119.6 | 168.3 | -87.5 | 163.6 | 0 | 0 | 0 | 108.4 | | |
| 338 | L | 37.5 | Very low | 29.3 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | -76.1 | 128.6 | 171.2 | -65.3 | 85.8 | 0 | 0 | 0 | 109.1 | N340 | L338-N340 PolarHBondContact O-N 3.26Š|
| 339 | P | 29.4 | Very low | 29 | Very low | 130 Ų | 130 | 137.6 Ų | 137.6 | 84% | 0.844 | 79% | 0.793 | S | S | * | * | | | trans | -75.8 | 106.4 | 167.6 | 29.8 | -31.1 | 0 | 0 | 0 | 109.6 | | |
| 340 | N | 28.3 | Very low | 29 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | | | trans | -62 | 141.9 | 173.6 | -87.5 | -1.1 | 0 | 0 | 0 | 112.2 | L338 | L338-N340 PolarHBondContact O-N 3.26Š|
| 341 | S | 28.9 | Very low | 28.9 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 73% | 0.734 | 81% | 0.812 | S | S | * | * | | | trans | 12.3 | 109 | 151.5 | -50.2 | 0 | 0 | 0 | 0 | 118.7 | T343 | S341-T343 PolarHBondContact O-N 2.91Š|
| 342 | L | 29.1 | Very low | 28.7 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | | | trans | -87.6 | 97.9 | 156.2 | -82 | 170.4 | 0 | 0 | 0 | 110.1 | | |
| 343 | T | 28.2 | Very low | 28.6 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 120.2 | 169.2 | 47.6 | 0 | 0 | 0 | 0 | 110.8 | S341 | S341-T343 PolarHBondContact O-N 2.91Š|
| 344 | L | 28.2 | Very low | 28.5 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 118.1 | 168.7 | -70.2 | 172.5 | 0 | 0 | 0 | 109.9 | | |
| 345 | T | 29.8 | Very low | 28.4 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 73% | 0.73 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 128.5 | 176.7 | 48.4 | 0 | 0 | 0 | 0 | 111.5 | | |
| 346 | P | 28.1 | Very low | 28.4 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | | | trans | -84.4 | 113.3 | 172.8 | 32.1 | -31.4 | 0 | 0 | 0 | 111.3 | | |
| 347 | S | 24.4 | Very low | 28.8 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | | | trans | -97 | 100.3 | 175.8 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 348 | N | 27.3 | Very low | 28.8 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | | | trans | -69.7 | 130.1 | 168.4 | -87.1 | -13.3 | 0 | 0 | 0 | 111.1 | | |
| 349 | A | 27.9 | Very low | 28.4 | Very low | 100 Ų | 100 | 130 Ų | 130 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | | | trans | -137.4 | 95.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 350 | I | 27 | Very low | 28.3 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 80% | 0.795 | 80% | 0.804 | S | S | * | * | | | trans | -79.2 | 134.3 | 174.3 | -61.1 | 171.3 | 0 | 0 | 0 | 108.7 | | |
| 351 | H | 29.2 | Very low | 28.3 | Very low | 189 Ų | 189 | 128.9 Ų | 128.9 | 88% | 0.875 | 81% | 0.805 | S | S | * | * | | | trans | -141 | 135.4 | 159.4 | -133.1 | -88.1 | 0 | 0 | 0 | 111.9 | | |
| 352 | N | 25.8 | Very low | 28.4 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -104 | 142.5 | -176.1 | -173.1 | 1.6 | 0 | 0 | 0 | 109.9 | | |
| 353 | G | 26.5 | Very low | 28.5 | Very low | 74 Ų | 74 | 131.1 Ų | 131.1 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | | | trans | 177.4 | 113.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 354 | S | 27.4 | Very low | 28.5 | Very low | 126 Ų | 126 | 129.7 Ų | 129.7 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | | | trans | -94 | 131.4 | -171 | 145.8 | 0 | 0 | 0 | 0 | 114 | | |
| 355 | A | 28.6 | Very low | 28.5 | Very low | 101 Ų | 101 | 129.5 Ų | 129.5 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | | | trans | -157.5 | 145.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 356 | N | 28.7 | Very low | 28.5 | Very low | 145 Ų | 145 | 131.7 Ų | 131.7 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | | | trans | -144.4 | 138.9 | 172.9 | -163.6 | 3.8 | 0 | 0 | 0 | 106.5 | S358 | N356-S358 PolarHBondContact OD1-N 3.14Š|
| 357 | P | 37 | Very low | 28.7 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | | -147.1 | 134.5 | 92.1 | 37.3 | -19.5 | 0 | 0 | 0 | 116.2 | | |
| 358 | S | 27.5 | Very low | 28.8 | Very low | 94 Ų | 94 | 131.5 Ų | 131.5 | 66% | 0.657 | 80% | 0.804 | S | S | * | * | | | trans | 51.5 | 110.8 | 139.3 | 64.8 | 0 | 0 | 0 | 0 | 121 | N356 | N356-S358 PolarHBondContact OD1-N 3.14Š|
| 359 | S | 28.2 | Very low | 28.8 | Very low | 122 Ų | 122 | 129.8 Ų | 129.8 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | | | | -170 | 157.4 | 117.8 | -80.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 360 | S | 27.7 | Very low | 28.8 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | | | trans | -92.9 | 131.3 | -162.5 | -46 | 0 | 0 | 0 | 0 | 115.3 | | |
| 361 | T | 29.2 | Very low | 28.8 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | | | trans | -153.7 | 136.2 | 152.1 | 13.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 362 | L | 30.8 | Very low | 28.7 | Very low | 180 Ų | 180 | 128.7 Ų | 128.7 | 94% | 0.942 | 79% | 0.792 | S | S | * | * | | | trans | -97.3 | 123 | 170.8 | -70.2 | 167.2 | 0 | 0 | 0 | 108.8 | | |
| 363 | I | 30.2 | Very low | 28.9 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | | | trans | -138.8 | 127.7 | 170.4 | -60.4 | -177.2 | 0 | 0 | 0 | 108.1 | | |
| 364 | A | 30 | Very low | 29 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | | | trans | -85.2 | 137.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 365 | N | 27.7 | Very low | 29.2 | Very low | 161 Ų | 161 | 131 Ų | 131 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | | | trans | -89.7 | 107.4 | 177.9 | -80.2 | -21.9 | 0 | 0 | 0 | 111.2 | | |
| 366 | Q | 30.1 | Very low | 29.1 | Very low | 166 Ų | 166 | 133 Ų | 133 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -111.4 | 124.3 | 159.9 | -82.3 | -78.2 | 23.8 | 0 | 0 | 108.3 | T368 | Q366-T368 PolarHBondContact O-N 3.43Š|
| 367 | P | 32.3 | Very low | 28.9 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | | | trans | -83.3 | 79.3 | -176.6 | 33 | -34.6 | 0 | 0 | 0 | 112.4 | V369 | P367-V369 PolarHBondContact O-N 2.92Š|
| 368 | T | 25 | Very low | 28.5 | Very low | 117 Ų | 117 | 135.8 Ų | 135.8 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | | | trans | -66.7 | 116.4 | 171.2 | -57 | 0 | 0 | 0 | 0 | 111.2 | Q366 Q370 | Q366-T368 PolarHBondContact O-N 3.43Å; T368-Q370 HydrophobicContact CG2-CG 4.23Å; T368-Q370 PolarHBondContact O-N 3.12Å |
| 369 | V | 27.9 | Very low | 28.3 | Very low | 126 Ų | 126 | 135.9 Ų | 135.9 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | | | trans | -90.2 | 99.2 | 173.4 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | P367 I371 | P367-V369 PolarHBondContact O-N 2.92Å; V369-I371 HydrophobicContact CG1-CG1 4.41Å |
| 370 | Q | 27 | Very low | 28.4 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | | | trans | -95.6 | 135.5 | 166.1 | -78.5 | -173.2 | -4.7 | 0 | 0 | 111.2 | T368 | T368-Q370 HydrophobicContact CG2-CG 4.23Å; T368-Q370 PolarHBondContact O-N 3.12Å |
| 371 | I | 28.9 | Very low | 28.6 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | trans | -109.5 | 114.7 | 176.5 | -58.4 | 176.8 | 0 | 0 | 0 | 108.8 | V369 | V369-I371 HydrophobicContact CG1-CG1 4.41Š|
| 372 | A | 26.7 | Very low | 28.5 | Very low | 83 Ų | 83 | 132.7 Ų | 132.7 | 69% | 0.686 | 80% | 0.801 | S | S | * | * | | | trans | -145.1 | 159.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 373 | P | 29.8 | Very low | 28.5 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | | | | -100.9 | 158.4 | -125.3 | -1.7 | 21.9 | 0 | 0 | 0 | 115.4 | | |
| 374 | G | 28.3 | Very low | 28.3 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -72.8 | 152.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 375 | Q | 30.9 | Very low | 28.3 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 91% | 0.907 | 81% | 0.805 | S | S | * | * | | | trans | -120.8 | 162 | 154.2 | -77.1 | -153.4 | 19.7 | 0 | 0 | 110.2 | | |
| 376 | N | 26.5 | Very low | 28.1 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 81% | 0.806 | S | S | * | * | | | trans | -131.7 | 117.7 | 179 | 170.6 | 2.9 | 0 | 0 | 0 | 108.2 | | |
| 377 | F | 24.6 | Very low | 27.9 | Very low | 204 Ų | 204 | 136.1 Ų | 136.1 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | | | trans | -155.7 | 157.3 | 150.9 | -92.7 | -59.2 | 0 | 0 | 0 | 111.3 | | |
| 378 | S | 29.1 | Very low | 27.5 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | | | trans | -77.8 | 152.6 | -170.9 | -173.8 | 0 | 0 | 0 | 0 | 113.8 | | |
| 379 | A | 24.4 | Very low | 27.6 | Very low | 95 Ų | 95 | 138.1 Ų | 138.1 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | | | trans | -135.4 | 125.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 380 | S | 29.7 | Very low | 27.6 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -76.4 | 159.8 | 174.1 | -54.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 381 | G | 31.9 | Very low | 27.5 | Very low | 68 Ų | 68 | 136.4 Ų | 136.4 | 70% | 0.701 | 82% | 0.817 | S | S | * | * | | | trans | -84.9 | 173.6 | -165.4 | 0 | 0 | 0 | 0 | 0 | 118.6 | | |
| 382 | S | 27.9 | Very low | 27.4 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | 69.9 | 105.6 | 163.2 | 52.7 | 0 | 0 | 0 | 0 | 121 | | |
| 383 | Q | 30.9 | Very low | 27.4 | Very low | 180 Ų | 180 | 133.1 Ų | 133.1 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | | | trans | 43.4 | 125.7 | 136.1 | -56.7 | -172.8 | 12.7 | 0 | 0 | 121.6 | | |
| 384 | L | 25.8 | Very low | 27.3 | Very low | 173 Ų | 173 | 133.2 Ų | 133.2 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | | | | -171.7 | 169 | 104.3 | -98.2 | 169.9 | 0 | 0 | 0 | 111.2 | | |
| 385 | I | 28.8 | Very low | 27.3 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | | | trans | -115.3 | 127 | -174.4 | -62.9 | 171.2 | 0 | 0 | 0 | 111.4 | | |
| 386 | L | 23.3 | Very low | 27.1 | Very low | 171 Ų | 171 | 134.1 Ų | 134.1 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | | | trans | -160.3 | 168 | 141.4 | -141.8 | 67.6 | 0 | 0 | 0 | 112.1 | | |
| 387 | N | 25.7 | Very low | 27.1 | Very low | 140 Ų | 140 | 133.9 Ų | 133.9 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | -108.7 | 175.3 | -171.1 | -98.7 | -68.4 | 0 | 0 | 0 | 114 | | |
| 388 | H | 25.7 | Very low | 27.1 | Very low | 196 Ų | 196 | 127 Ų | 127 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | | | trans | 72.9 | 150.3 | 168.4 | -74.3 | -90.5 | 0 | 0 | 0 | 118.8 | | |
| 389 | G | 25.3 | Very low | 26.9 | Very low | 76 Ų | 76 | 129 Ų | 129 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | | | trans | 140.6 | 60.3 | 147.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 390 | V | 27.7 | Very low | 27 | Very low | 137 Ų | 137 | 132.4 Ų | 132.4 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | | | trans | -28.7 | 125.9 | 158 | 165.1 | 0 | 0 | 0 | 0 | 116.6 | | |
| 391 | V | 26.5 | Very low | 26.8 | Very low | 126 Ų | 126 | 133.7 Ų | 133.7 | 76% | 0.764 | 81% | 0.806 | S | S | * | * | | | trans | 75.5 | 142.8 | 147.2 | 165.1 | 0 | 0 | 0 | 0 | 122 | | |
| 392 | S | 26.8 | Very low | 26.5 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | | | trans | 75.6 | 120.9 | 158.6 | -78.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 393 | G | 26.3 | Very low | 26.3 | Very low | 63 Ų | 63 | 138.2 Ų | 138.2 | 65% | 0.649 | 81% | 0.805 | S | S | * | * | | | | 114 | 107.5 | 111.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 394 | T | 28 | Very low | 26 | Very low | 131 Ų | 131 | 139.6 Ų | 139.6 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | 57.9 | 107.4 | 140.4 | 30.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 395 | Q | 27.6 | Very low | 26 | Very low | 174 Ų | 174 | 137.4 Ų | 137.4 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | | | | 78.3 | 133.6 | 121.2 | -81.8 | -167.6 | 20.7 | 0 | 0 | 124.6 | | |
| 396 | V | 27.4 | Very low | 25.7 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | | | | 99.4 | 116.5 | 128.5 | 157.8 | 0 | 0 | 0 | 0 | 122 | | |
| 397 | V | 24.7 | Very low | 25.7 | Very low | 136 Ų | 136 | 132 Ų | 132 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | | | trans | 62.2 | 128.7 | 149.3 | 173.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 398 | G | 26.6 | Very low | 25.6 | Very low | 61 Ų | 61 | 130.7 Ų | 130.7 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | | | trans | -124.3 | -162.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 399 | T | 24.8 | Very low | 25.5 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 96% | 0.957 | 79% | 0.79 | S | S | * | * | | | trans | -158 | 175 | 172.9 | 9.2 | 0 | 0 | 0 | 0 | 113 | | |
| 400 | M | 25.1 | Very low | 25.5 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | -100.2 | 165.5 | -164.8 | -55.7 | 175.4 | 171.4 | 0 | 0 | 115.6 | | |
| 401 | T | 27 | Very low | 25.3 | Very low | 151 Ų | 151 | 126.1 Ų | 126.1 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | | | | -162.6 | 167.2 | 120.5 | 8.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 402 | Q | 25.2 | Very low | 25.2 | Very low | 152 Ų | 152 | 125 Ų | 125 | 71% | 0.71 | 78% | 0.778 | S | S | * | * | | | trans | -133.3 | 154.5 | -172.9 | -62.7 | 177.8 | -12.2 | 0 | 0 | 112.7 | | |
| 403 | T | 24.1 | Very low | 25.3 | Very low | 128 Ų | 128 | 125.7 Ų | 125.7 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | | | | 168.8 | 129.4 | 128.4 | 31.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 404 | W | 22.8 | Very low | 25.5 | Very low | 208 Ų | 208 | 128.5 Ų | 128.5 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | | | | 64.6 | 136.5 | 66.6 | -67.7 | 105.3 | 0 | 0 | 0 | 112.5 | | |
| 405 | T | 25.8 | Very low | 25.4 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | | | cis | -162.1 | 152.7 | 29.9 | -27.6 | 0 | 0 | 0 | 0 | 114 | | |
| 406 | G | 22.6 | Very low | 25.3 | Very low | 66 Ų | 66 | 129.7 Ų | 129.7 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | | | trans | 96.3 | 149.6 | 147.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 407 | V | 24 | Very low | 25.1 | Very low | 145 Ų | 145 | 130.5 Ų | 130.5 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | | | cis | -147.7 | 154 | -7 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 408 | S | 24.2 | Very low | 25.1 | Very low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | | | trans | -67.6 | 178 | -180 | -26.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 409 | C | 23.7 | Very low | 25.1 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 86% | 0.858 | 81% | 0.805 | S | S | * | * | | | cis | -157.1 | -162.9 | 9.1 | 45.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 410 | A | 24.5 | Very low | 25.2 | Very low | 77 Ų | 77 | 129.7 Ų | 129.7 | 64% | 0.636 | 80% | 0.796 | S | S | * | * | | | cis | -163.3 | 166.8 | 8.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 411 | S | 23.1 | Very low | 25.9 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | 70 | 150.6 | 145.8 | 63.6 | 0 | 0 | 0 | 0 | 123.8 | | |
| 412 | S | 25.5 | Very low | 26 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | 82 | 75.8 | 156.4 | -46.2 | 0 | 0 | 0 | 0 | 120.7 | | |
| 413 | T | 27.7 | Very low | 26.2 | Very low | 130 Ų | 130 | 128.6 Ų | 128.6 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | | | | 24.3 | 116.1 | 129.3 | 54 | 0 | 0 | 0 | 0 | 120.6 | | |
| 414 | P | 30.5 | Very low | 26.4 | Very low | 123 Ų | 123 | 130.8 Ų | 130.8 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 144.6 | 159.2 | 34.2 | -32.2 | 0 | 0 | 0 | 112 | | |
| 415 | V | 26.1 | Very low | 26.8 | Very low | 143 Ų | 143 | 126.6 Ų | 126.6 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 128.6 | 167.8 | 176.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 416 | Q | 26.8 | Very low | 26.8 | Very low | 187 Ų | 187 | 128.7 Ų | 128.7 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 137.2 | -177 | -73.2 | -175.7 | -73.3 | 0 | 0 | 112.9 | | |
| 417 | T | 23.1 | Very low | 27.2 | Very low | 134 Ų | 134 | 131.3 Ų | 131.3 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | -94.5 | 178.3 | 155.3 | 53.1 | 0 | 0 | 0 | 0 | 110.4 | | |
| 418 | S | 25 | Very low | 27.3 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | 85.5 | 130.2 | 170.4 | -159.1 | 0 | 0 | 0 | 0 | 118 | | |
| 419 | C | 26.1 | Very low | 27.6 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | | | trans | -63.8 | 146.2 | 167.9 | -48.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 420 | A | 26.4 | Very low | 27.9 | Very low | 94 Ų | 94 | 130.3 Ų | 130.3 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | | | trans | -155.9 | 165.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 421 | P | 39.3 | Very low | 28 | Very low | 124 Ų | 124 | 130.6 Ų | 130.6 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | | | trans | -102.3 | 164.6 | -146 | 36.9 | -34.4 | 0 | 0 | 0 | 115.7 | | |
| 422 | G | 30.3 | Very low | 28.3 | Very low | 83 Ų | 83 | 129.2 Ų | 129.2 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | | | trans | -64.1 | 136.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 423 | R | 27.9 | Very low | 28.5 | Very low | 237 Ų | 237 | 134.3 Ų | 134.3 | 89% | 0.894 | 84% | 0.835 | S | S | * | * | | | trans | -124.7 | 118.5 | -179.5 | -166.3 | 176.1 | -169.4 | -120.2 | 2 | 110.7 | | |
| 424 | L | 28.2 | Very low | 28.6 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | | | trans | -71.4 | 136.4 | 174.3 | -72.2 | 162.4 | 0 | 0 | 0 | 110.7 | | |
| 425 | T | 32.3 | Very low | 28.6 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 74% | 0.742 | 84% | 0.84 | S | S | * | * | | | trans | -99.7 | 110.1 | 176.7 | -63.1 | 0 | 0 | 0 | 0 | 110.2 | V427 | T425-V427 HydrophobicContact CG2-CG2 4.12Å; T425-V427 PolarHBondContact O-N 3.49Å |
| 426 | L | 25.8 | Very low | 28.6 | Very low | 171 Ų | 171 | 133.1 Ų | 133.1 | 90% | 0.895 | 84% | 0.837 | S | S | * | * | | | trans | -78.6 | 111.4 | 169.7 | -178 | 68 | 0 | 0 | 0 | 109.7 | G428 | L426-G428 PolarHBondContact O-N 3.38Š|
| 427 | V | 30.3 | Very low | 28.8 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 73% | 0.727 | 83% | 0.831 | S | S | * | * | | | trans | -91.5 | 98.9 | 174.7 | -178.7 | 0 | 0 | 0 | 0 | 109.6 | T425 | T425-V427 HydrophobicContact CG2-CG2 4.12Å; T425-V427 PolarHBondContact O-N 3.49Å |
| 428 | G | 27.3 | Very low | 29 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | | | trans | -105.1 | 111.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L426 | L426-G428 PolarHBondContact O-N 3.38Š|
| 429 | S | 29.4 | Very low | 29.1 | Very low | 115 Ų | 115 | 128.6 Ų | 128.6 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | | | trans | -101.4 | 131.4 | 172.3 | -68.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 430 | I | 29.7 | Very low | 29.6 | Very low | 180 Ų | 180 | 128.3 Ų | 128.3 | 92% | 0.923 | 83% | 0.826 | S | S | * | * | | | trans | -123 | 127.1 | 178.5 | -48.2 | 176.8 | 0 | 0 | 0 | 109.2 | | |
| 431 | G | 27.7 | Very low | 29.8 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | | | trans | 170.8 | 105.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 432 | G | 28.3 | Very low | 29.4 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 84% | 0.835 | 83% | 0.834 | S | S | * | * | | | trans | 133.9 | 128.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 433 | Q | 31.3 | Very low | 29.4 | Very low | 211 Ų | 211 | 141 Ų | 141 | 99% | 0.986 | 84% | 0.836 | S | S | * | * | | | trans | -73.1 | 140.5 | 178.5 | -65.2 | 175 | -65.8 | 0 | 0 | 112.2 | | |
| 434 | G | 28.7 | Very low | 29.3 | Very low | 76 Ų | 76 | 137.4 Ų | 137.4 | 78% | 0.784 | 83% | 0.834 | S | S | * | * | | | trans | -173.8 | 134.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 435 | Q | 30.7 | Very low | 29.2 | Very low | 198 Ų | 198 | 136.3 Ų | 136.3 | 93% | 0.925 | 83% | 0.828 | S | S | * | * | | | trans | -79.6 | 136 | -168.2 | -68.8 | 176 | -15.6 | 0 | 0 | 114.6 | | |
| 436 | A | 26 | Very low | 29.1 | Very low | 97 Ų | 97 | 136.5 Ų | 136.5 | 80% | 0.802 | 83% | 0.829 | S | S | * | * | | | trans | 69.5 | 138.1 | 139 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 437 | S | 31.1 | Very low | 29.3 | Very low | 106 Ų | 106 | 134.1 Ų | 134.1 | 74% | 0.741 | 82% | 0.821 | S | S | * | * | | | trans | 86 | 109.8 | 149.4 | -144.4 | 0 | 0 | 0 | 0 | 121.2 | | |
| 438 | S | 27.8 | Very low | 29.2 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | | | trans | 49.5 | 108.6 | 136.4 | 61.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 439 | C | 26.6 | Very low | 29.2 | Very low | 129 Ų | 129 | 139.8 Ų | 139.8 | 87% | 0.872 | 83% | 0.831 | S | S | * | * | | | trans | -111.2 | 151.9 | 159.7 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 440 | P | 36.9 | Very low | 29.3 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 83% | 0.834 | S | S | * | * | | | trans | -90.7 | 175.2 | -172.2 | 36.7 | -37.6 | 0 | 0 | 0 | 115.3 | | |
| 441 | V | 29.4 | Very low | 29.1 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 89% | 0.885 | 83% | 0.829 | S | S | * | * | | | trans | -57.3 | 145.9 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 113 | | |
| 442 | Q | 31.3 | Very low | 28.9 | Very low | 184 Ų | 184 | 143.8 Ų | 143.8 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | | | trans | -110.3 | 128.2 | 175.7 | -64.4 | 173.2 | 4.3 | 0 | 0 | 110.1 | | |
| 443 | R | 30.9 | Very low | 28.9 | Very low | 238 Ų | 238 | 147 Ų | 147 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | | | trans | -94.2 | 133.7 | 172.9 | -174.9 | 175.5 | -76.6 | -168.7 | -4.6 | 109.6 | | |
| 444 | L | 26 | Very low | 28.6 | Very low | 161 Ų | 161 | 142.4 Ų | 142.4 | 84% | 0.843 | 82% | 0.823 | S | S | * | * | | | trans | -69.5 | 140.6 | -175.7 | -169 | 67.7 | 0 | 0 | 0 | 111.8 | | |
| 445 | L | 26.7 | Very low | 28.4 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | | | trans | -110 | 118.3 | 172.2 | 177.8 | 63.9 | 0 | 0 | 0 | 109.5 | | |
| 446 | V | 29.6 | Very low | 28 | Very low | 126 Ų | 126 | 142.5 Ų | 142.5 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | | | trans | -80 | 122.9 | 176.4 | 179 | 0 | 0 | 0 | 0 | 109.7 | | |
| 447 | T | 29.9 | Very low | 28.4 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 74% | 0.736 | 82% | 0.817 | S | S | * | * | | | trans | -89.4 | 105.4 | 176.6 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | T449 | T447-T449 PolarHBondContact O-N 2.82Š|
| 448 | Q | 28 | Very low | 28.2 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 80% | 0.799 | 82% | 0.822 | S | S | * | * | | | trans | -65.5 | 127.7 | 171.4 | -175.8 | -178.5 | 68.3 | 0 | 0 | 110.6 | Q450 | Q448-Q450 PolarHBondContact O-N 2.86Š|
| 449 | T | 27.8 | Very low | 28.6 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | | | trans | -78.5 | 114.6 | -179.4 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | T447 | T447-T449 PolarHBondContact O-N 2.82Š|
| 450 | Q | 32.1 | Very low | 28.5 | Very low | 183 Ų | 183 | 145.8 Ų | 145.8 | 86% | 0.855 | 82% | 0.82 | S | S | * | * | | | trans | -91.2 | 130.3 | 169.6 | -67.7 | -176.2 | -11.6 | 0 | 0 | 110.5 | Q448 | Q448-Q450 PolarHBondContact O-N 2.86Š|
| 451 | N | 24.5 | Very low | 28 | Very low | 155 Ų | 155 | 147.3 Ų | 147.3 | 83% | 0.829 | 82% | 0.822 | S | S | * | * | | | trans | -140.7 | 110.7 | 171.7 | -179.8 | 15.1 | 0 | 0 | 0 | 108.5 | | |
| 452 | C | 24.2 | Very low | 27.9 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | | | trans | 168.9 | 103.2 | 159.1 | -101.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 453 | T | 27.7 | Very low | 27.7 | Very low | 149 Ų | 149 | 142.7 Ų | 142.7 | 91% | 0.914 | 81% | 0.807 | S | S | * | * | | | trans | -149.1 | 119.9 | 155.6 | -39 | 0 | 0 | 0 | 0 | 111.5 | | |
| 454 | S | 24.9 | Very low | 27.5 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | | | trans | -150.7 | 129.5 | 152.3 | 62.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 455 | L | 24.4 | Very low | 27.5 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | -177.9 | 124.2 | 141.5 | -98.9 | -173.6 | 0 | 0 | 0 | 110.5 | | |
| 456 | S | 23 | Very low | 27.5 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | 58.6 | 135.5 | 161.7 | -67.6 | 0 | 0 | 0 | 0 | 122.1 | | |
| 457 | P | 33.6 | Very low | 27.4 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | | | trans | -114.7 | -158.2 | 176.5 | 44.7 | -36.7 | 0 | 0 | 0 | 114 | | |
| 458 | L | 26.3 | Very low | 27.2 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | 81.7 | 152.4 | 166.6 | -104.7 | 72.6 | 0 | 0 | 0 | 117.9 | | |
| 459 | P | 37.4 | Very low | 27.1 | Very low | 105 Ų | 105 | 141.1 Ų | 141.1 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | | | cis | -126.3 | 159.4 | -34.7 | 16.6 | 5 | 0 | 0 | 0 | 114 | | |
| 460 | S | 24.8 | Very low | 27.1 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | | | trans | -159.7 | 116.7 | 138.8 | -84.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 461 | N | 25.9 | Very low | 26.8 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 81% | 0.807 | 76% | 0.763 | S | S | * | * | | | trans | -55 | 165.7 | 165.6 | -130.7 | 2.4 | 0 | 0 | 0 | 111.9 | | |
| 462 | V | 26.4 | Very low | 26.8 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 67% | 0.667 | 76% | 0.758 | S | S | * | * | | | cis | -155 | 166.4 | 20.3 | -154 | 0 | 0 | 0 | 0 | 111.3 | | |
| 463 | T | 27.2 | Very low | 26.9 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 76% | 0.761 | 75% | 0.747 | S | S | * | * | | | trans | 70.5 | 88.8 | 152.6 | 29.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 464 | Q | 26.1 | Very low | 26.9 | Very low | 157 Ų | 157 | 138.2 Ų | 138.2 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | | | | 6.1 | 131.5 | 100.2 | -178.2 | 173.9 | -16.7 | 0 | 0 | 116.9 | | |
| 465 | E | 26.3 | Very low | 26.9 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | | | | -154.8 | 162.3 | 93.6 | -97.9 | -73.5 | 85.4 | 0 | 0 | 113.7 | | |
| 466 | Q | 26.3 | Very low | 27.8 | Very low | 144 Ų | 144 | 135.3 Ų | 135.3 | 67% | 0.673 | 73% | 0.732 | S | S | * | * | | | trans | -127.9 | 140.9 | -166.5 | 167.5 | -176.2 | -20.1 | 0 | 0 | 112.9 | | |
| 467 | K | 27.6 | Very low | 27.8 | Very low | 192 Ų | 192 | 133.9 Ų | 133.9 | 84% | 0.835 | 73% | 0.727 | S | S | * | * | | | trans | 165.3 | 160.5 | 149 | -95.7 | 154.9 | 178.4 | 167.5 | 0 | 111.4 | | |
| 468 | D | 25.8 | Very low | 27.6 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 50% | 0.503 | 73% | 0.731 | S | S | . | * | | | cis | -175.8 | 145.5 | -40.6 | -112.4 | -44.9 | 0 | 0 | 0 | 108.6 | | |
| 469 | F | 27 | Very low | 27.6 | Very low | 184 Ų | 184 | 138.1 Ų | 138.1 | 81% | 0.807 | 73% | 0.727 | S | S | * | * | | | trans | 58.5 | 155.5 | 161.3 | -78.9 | -118.1 | 0 | 0 | 0 | 119.1 | | |
| 470 | R | 26.8 | Very low | 27.2 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | cis | -164.9 | 163.9 | -37.4 | -150 | -146.6 | 174.4 | -151.6 | 1.9 | 109.3 | | |
| 471 | Q | 26.8 | Very low | 27.3 | Very low | 126 Ų | 126 | 138.9 Ų | 138.9 | 59% | 0.589 | 72% | 0.72 | S | S | * | * | | | trans | 80.6 | 124 | 145.2 | -146.5 | 155.2 | -33.5 | 0 | 0 | 120.1 | | |
| 472 | N | 24.3 | Very low | 27.3 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | | | trans | 52.8 | 149.5 | 140.5 | -64.2 | 14.3 | 0 | 0 | 0 | 121.5 | | |
| 473 | S | 26.5 | Very low | 27.4 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 62% | 0.615 | 73% | 0.728 | S | S | * | * | | | cis | -173.6 | 157.9 | -13.7 | 50.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 474 | L | 27.1 | Very low | 27.5 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 80% | 0.796 | 73% | 0.73 | S | S | * | * | | | trans | 58.3 | 99 | 152.8 | -65.7 | 161.1 | 0 | 0 | 0 | 118.9 | | |
| 475 | S | 24.4 | Very low | 27.6 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | | 15.9 | 154.8 | 116.1 | 66.9 | 0 | 0 | 0 | 0 | 120.4 | | |
| 476 | P | 43.5 | Very low | 28 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | | | cis | -153.9 | -176.5 | 31 | 44.7 | -24.1 | 0 | 0 | 0 | 119.4 | | |
| 477 | A | 24.4 | Very low | 28.3 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | | | trans | 86.4 | 165.6 | 138.6 | 0 | 0 | 0 | 0 | 0 | 123 | | |
| 478 | F | 28.5 | Very low | 28.1 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | | | trans | 76.7 | 85.7 | 169.7 | -77 | -84.6 | 0 | 0 | 0 | 121.8 | | |
| 479 | K | 27.2 | Very low | 28.4 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | | | | 30.1 | 143.8 | 119.6 | -68 | -173.3 | 174.4 | -175.9 | 0 | 121.3 | | |
| 480 | Q | 27.4 | Very low | 28.6 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 83% | 0.827 | 75% | 0.753 | S | S | * | * | | | trans | 73.6 | 149.9 | 152.4 | -99.6 | 164.1 | -63.5 | 0 | 0 | 115.9 | | |
| 481 | A | 27.2 | Very low | 28.7 | Very low | 74 Ų | 74 | 135.5 Ų | 135.5 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | | | cis | -148.4 | 160.2 | 6.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 482 | Q | 27.1 | Very low | 29.3 | Very low | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | trans | 40.1 | 141 | 140.2 | -68.8 | -177.5 | -3.3 | 0 | 0 | 123.4 | | |
| 483 | A | 27.6 | Very low | 29.5 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | | | trans | 72 | 152.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 484 | S | 29.9 | Very low | 30.2 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | | | cis | -143.7 | 164.5 | 1.5 | 35.1 | 0 | 0 | 0 | 0 | 112 | | |
| 485 | N | 28.6 | Very low | 30.2 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | | | trans | -65.5 | 153.7 | 169.9 | -53.3 | -71.2 | 0 | 0 | 0 | 112.1 | | |
| 486 | I | 34.3 | Very low | 31.1 | Very low | 168 Ų | 168 | 142 Ų | 142 | 86% | 0.862 | 78% | 0.78 | S | S | * | * | | | | -167.1 | 159.4 | 118.7 | -102.4 | 161.3 | 0 | 0 | 0 | 111.2 | | |
| 487 | H | 31.4 | Very low | 30.6 | Very low | 175 Ų | 175 | 143 Ų | 143 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | -79.6 | 158.3 | -174.2 | -52.4 | -176.8 | 0 | 0 | 0 | 112.3 | | |
| 488 | A | 25.1 | Very low | 31.1 | Very low | 92 Ų | 92 | 146.3 Ų | 146.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | | 162.1 | 131.2 | 102.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 489 | L | 30.8 | Very low | 31.3 | Very low | 154 Ų | 154 | 143.2 Ų | 143.2 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | | | trans | 62.1 | 99.6 | 132.1 | -161.8 | 65.4 | 0 | 0 | 0 | 121.2 | | |
| 490 | K | 31.6 | Very low | 31.7 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | | | | 60.6 | 124.8 | 129.8 | -177 | -173.3 | 178.3 | -173.9 | 0 | 119.7 | | |
| 491 | T | 29.3 | Very low | 32.4 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 78% | 0.775 | S | S | * | * | | | | -163.4 | 157.6 | 115.6 | -79.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 492 | I | 39.2 | Very low | 33.5 | Very low | 145 Ų | 145 | 144.2 Ų | 144.2 | 74% | 0.744 | 79% | 0.785 | S | S | * | * | | | trans | -75.2 | 135.1 | -179.8 | -63.4 | 155.4 | 0 | 0 | 0 | 110 | | |
| 493 | T | 29.4 | Very low | 34.6 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | -127.2 | 121.5 | 157.2 | -55.9 | 0 | 0 | 0 | 0 | 107.7 | | |
| 494 | Q | 40.7 | Very low | 36 | Very low | 173 Ų | 173 | 144.9 Ų | 144.9 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | trans | -73.9 | 135.2 | 162.1 | -68.2 | 171.2 | -35.4 | 0 | 0 | 107.4 | | |
| 495 | D | 27.3 | Very low | 38.3 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 75% | 0.747 | S | S | * | * | | | trans | -131 | 132.8 | 160.5 | -153.6 | -17 | 0 | 0 | 0 | 109.5 | T497 | D495-T497 PolarHBondContact O-N 2.89Å; D495-T497 VanDerWaalsContact O-N 3.16Å |
| 496 | L | 42.3 | Very low | 40.8 | Very low | 139 Ų | 139 | 146.1 Ų | 146.1 | 73% | 0.728 | 75% | 0.748 | S | S | * | * | | | trans | -87.4 | 88.8 | -173.2 | -72.3 | 88.5 | 0 | 0 | 0 | 108.4 | L498 | L496-L498 PolarHBondContact O-N 3.4Š|
| 497 | T | 34.4 | Very low | 43.2 | Very low | 136 Ų | 136 | 143.2 Ų | 143.2 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | | | trans | -62.1 | 102.3 | 167.5 | -57.3 | 0 | 0 | 0 | 0 | 108.2 | D495 N499 | D495-T497 PolarHBondContact O-N 2.89Å; D495-T497 VanDerWaalsContact O-N 3.16Å; T497-N499 PolarHBondContact O-N 3.45Å |
| 498 | L | 33.3 | Very low | 45.9 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 81% | 0.806 | 72% | 0.72 | S | S | * | * | | | trans | -58.3 | 121.4 | -176.3 | -75.9 | 170.2 | 0 | 0 | 0 | 109.9 | L496 S500 | L496-L498 PolarHBondContact O-N 3.4Å; L498-S500 VanDerWaalsContact C-N 3.35Å; L498-S500 PolarHBondContact O-N 3.43Å |
| 499 | N | 33.4 | Very low | 48.9 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 67% | 0.674 | 71% | 0.707 | S | S | * | * | | | trans | -74.8 | 86.5 | -172.6 | -162.4 | 25.5 | 0 | 0 | 0 | 110.1 | T497 E501 | T497-N499 PolarHBondContact O-N 3.45Å; N499-E501 PolarHBondContact ND2-OE1 2.82Å; N499-E501 PolarHBondContact O-N 2.96Å |
| 500 | S | 35.1 | Very low | 51.6 | Low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | | | trans | -76.5 | 58.1 | 172.1 | 53.4 | 0 | 0 | 0 | 0 | 110.9 | L498 K502 | L498-S500 VanDerWaalsContact C-N 3.35Å; L498-S500 PolarHBondContact O-N 3.43Å; S500-K502 VanDerWaalsContact C-N 3.26Å; S500-K502 PolarHBondContact O-N 2.81Å |
| 501 | E | 42.9 | Very low | 54.3 | Low | 143 Ų | 143 | 132.5 Ų | 132.5 | 67% | 0.668 | 68% | 0.68 | S | S | * | * | | | trans | -59.5 | 92.7 | 165.1 | -85.6 | 179.9 | -149.5 | 0 | 0 | 108.9 | N499 R503 | N499-E501 PolarHBondContact ND2-OE1 2.82Å; N499-E501 PolarHBondContact O-N 2.96Å; E501-R503 PolarHBondContact O-N 3.48Å |
| 502 | K | 49.2 | Very low | 57.1 | Low | 188 Ų | 188 | 130.9 Ų | 130.9 | 82% | 0.817 | 66% | 0.663 | S | S | * | * | | | trans | -52.7 | 101.8 | 145.7 | -83.2 | -171.4 | 172.6 | -174.6 | 0 | 105.4 | S500 L504 | S500-K502 VanDerWaalsContact C-N 3.26Å; S500-K502 PolarHBondContact O-N 2.81Å; K502-L504 HydrophobicContact CB-CD1 4.46Å; K502-L504 WeakPolarHBondContact O-CD1 3.36Å; K502-L504 PolarHBondContact O-N 3.31Å |
| 503 | R | 50.8 | Low | 59.3 | Low | 226 Ų | 226 | 128.1 Ų | 128.1 | 85% | 0.853 | 65% | 0.647 | S | S | * | * | | | trans | -67.4 | 82.2 | -178 | -174.8 | 178.6 | -179.7 | 179.8 | 0 | 108.4 | E501 T505 | E501-R503 PolarHBondContact O-N 3.48Å; R503-T505 PolarHBondContact O-N 3.18Å |
| 504 | L | 57.7 | Low | 62 | Low | 64 Ų | 64 | 125.6 Ų | 125.6 | 34% | 0.335 | 63% | 0.628 | S | S | . | * | | | trans | -45.5 | 133.8 | -179.8 | -97.6 | 63.1 | 0 | 0 | 0 | 109 | K502 E508 Q509 H512 | K502-L504 HydrophobicContact CB-CD1 4.46Å; K502-L504 WeakPolarHBondContact O-CD1 3.36Å; K502-L504 PolarHBondContact O-N 3.31Å; L504-E508 HydrophobicContact CB-CB 3.86Å; L504-E508 HydrophobicContact CD2-CB 3.87Å; L504-E508 HydrophobicContact CG-CB 3.67Å; L504-Q509 HydrophobicContact CB-CG 3.64Å; L504-Q509 WeakPolarHBondContact O-CG 3.43Å; L504-Q509 PolarHBondContact O-NE2 3.06Å; L504-H512 HydrophobicContact CD2-CB 4.31Å |
| 505 | T | 78 | Confident | 64.2 | Low | 75 Ų | 75 | 124.9 Ų | 124.9 | 46% | 0.46 | 62% | 0.618 | S | S | . | * | | | trans | -58.8 | 156.7 | 172.8 | 58.9 | 0 | 0 | 0 | 0 | 110.1 | R503 T507 E508 Q509 | R503-T505 PolarHBondContact O-N 3.18Å; T505-T507 PolarHBondContact O-N 2.96Å; T505-T507 VanDerWaalsContact O-N 3.09Å; T505-T507 PolarHBondContact OG1-OG1 3.39Å; T505-E508 WeakPolarHBondContact CB-OE2 3.37Å; T505-E508 WeakPolarHBondContact CG2-OE2 3.39Å; T505-E508 PolarHBondContact N-OE2 3.39Å; T505-E508 PolarHBondContact O-N 2.98Å; T505-E508 VanDerWaalsContact OG1-CD 3.32Å; T505-E508 VanDerWaalsContact OG1-CG 3.27Å; T505-E508 WeakPolarHBondContact OG1-CG 3.34Å; T505-E508 PolarHBondContact OG1-OE2 3.24Å; T505-Q509 WeakPolarHBondContact O-CG 3.45Å; T505-Q509 PolarHBondContact O-N 2.84Å |
| 506 | R | 81.5 | Confident | 66.9 | Low | 216 Ų | 216 | 125.2 Ų | 125.2 | 82% | 0.815 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -54.1 | -35.7 | -176 | -173 | 177.2 | 178.7 | -179.1 | -1.4 | 112.5 | V510 | R506-V510 WeakPolarHBondContact O-CG2 3.29Å; R506-V510 PolarHBondContact O-N 3.38Å; R506-V510 VanDerWaalsContact O-N 3.11Å |
| 507 | T | 84 | Confident | 69 | Low | 106 Ų | 106 | 120.3 Ų | 120.3 | 65% | 0.65 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.9 | -45.6 | 174.7 | 42.9 | 0 | 0 | 0 | 0 | 112.7 | T505 Q509 V510 L511 | T505-T507 PolarHBondContact O-N 2.96Å; T505-T507 VanDerWaalsContact O-N 3.09Å; T505-T507 PolarHBondContact OG1-OG1 3.39Å; T507-Q509 VanDerWaalsContact C-N 3.33Å; T507-Q509 PolarHBondContact O-N 3.41Å; T507-V510 PolarHBondContact O-N 3.09Å; T507-L511 WeakPolarHBondContact O-CB 3.41Å; T507-L511 PolarHBondContact O-N 3.07Å |
| 508 | E | 87.3 | Confident | 71.4 | Confident | 93 Ų | 93 | 117.6 Ų | 117.6 | 44% | 0.435 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.5 | -37.4 | 174.6 | -68.8 | 168.5 | 113.8 | 0 | 0 | 112.3 | L504 T505 L511 H512 | L504-E508 HydrophobicContact CB-CB 3.86Å; L504-E508 HydrophobicContact CD2-CB 3.87Å; L504-E508 HydrophobicContact CG-CB 3.67Å; T505-E508 WeakPolarHBondContact CB-OE2 3.37Å; T505-E508 WeakPolarHBondContact CG2-OE2 3.39Å; T505-E508 PolarHBondContact N-OE2 3.39Å; T505-E508 PolarHBondContact O-N 2.98Å; T505-E508 VanDerWaalsContact OG1-CD 3.32Å; T505-E508 VanDerWaalsContact OG1-CG 3.27Å; T505-E508 WeakPolarHBondContact OG1-CG 3.34Å; T505-E508 PolarHBondContact OG1-OE2 3.24Å; E508-L511 PolarHBondContact O-N 3.02Å; E508-H512 VanDerWaalsContact O-CB 3.24Å; E508-H512 WeakPolarHBondContact O-CB 3.42Å; E508-H512 PolarHBondContact O-N 3.4Å |
| 509 | Q | 88.2 | Confident | 73.8 | Confident | 105 Ų | 105 | 112.3 Ų | 112.3 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 175.6 | -66.9 | -175.6 | 8.8 | 0 | 0 | 111.4 | L504 T505 T507 H512 Q513 | L504-Q509 HydrophobicContact CB-CG 3.64Å; L504-Q509 WeakPolarHBondContact O-CG 3.43Å; L504-Q509 PolarHBondContact O-NE2 3.06Å; T505-Q509 WeakPolarHBondContact O-CG 3.45Å; T505-Q509 PolarHBondContact O-N 2.84Å; T507-Q509 VanDerWaalsContact C-N 3.33Å; T507-Q509 PolarHBondContact O-N 3.41Å; Q509-H512 PolarHBondContact O-N 2.94Å; Q509-Q513 WeakPolarHBondContact O-CB 3.5Å; Q509-Q513 PolarHBondContact O-N 3.08Å |
| 510 | V | 88.3 | Confident | 76.2 | Confident | 96 Ų | 96 | 108 Ų | 108 | 58% | 0.582 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.2 | -44.1 | 175.1 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | R506 T507 H512 Q513 L514 | R506-V510 WeakPolarHBondContact O-CG2 3.29Å; R506-V510 PolarHBondContact O-N 3.38Å; R506-V510 VanDerWaalsContact O-N 3.11Å; T507-V510 PolarHBondContact O-N 3.09Å; V510-H512 PolarHBondContact O-N 3.28Å; V510-Q513 PolarHBondContact O-N 3.26Å; V510-L514 WeakPolarHBondContact O-CB 3.27Å; V510-L514 PolarHBondContact O-N 3.44Å |
| 511 | L | 87.8 | Confident | 78.6 | Confident | 77 Ų | 77 | 104.3 Ų | 104.3 | 40% | 0.403 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 178.7 | -176.5 | 58.8 | 0 | 0 | 0 | 112.6 | T507 E508 R515 | T507-L511 WeakPolarHBondContact O-CB 3.41Å; T507-L511 PolarHBondContact O-N 3.07Å; E508-L511 PolarHBondContact O-N 3.02Å; L511-R515 WeakPolarHBondContact O-CB 3.39Å; L511-R515 WeakPolarHBondContact O-CD 3.32Å; L511-R515 WeakPolarHBondContact O-CG 3.47Å; L511-R515 PolarHBondContact O-N 2.88Å; L511-R515 VanDerWaalsContact O-N 3.08Å |
| 512 | H | 87.5 | Confident | 80.5 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 172.5 | 176.7 | -101.8 | 0 | 0 | 0 | 111.8 | L504 E508 Q509 V510 R515 R516 | L504-H512 HydrophobicContact CD2-CB 4.31Å; E508-H512 VanDerWaalsContact O-CB 3.24Å; E508-H512 WeakPolarHBondContact O-CB 3.42Å; E508-H512 PolarHBondContact O-N 3.4Å; Q509-H512 PolarHBondContact O-N 2.94Å; V510-H512 PolarHBondContact O-N 3.28Å; H512-R515 PolarHBondContact O-N 2.96Å; H512-R516 WeakPolarHBondContact O-CG 3.46Å; H512-R516 PolarHBondContact O-N 2.91Å; H512-R516 VanDerWaalsContact O-N 3.08Å |
| 513 | Q | 86.1 | Confident | 82.1 | Confident | 87 Ų | 87 | 100.1 Ų | 100.1 | 41% | 0.407 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 175.5 | -175.9 | 54.3 | 35.2 | 0 | 0 | 111.1 | Q509 V510 R515 R516 D517 | Q509-Q513 WeakPolarHBondContact O-CB 3.5Å; Q509-Q513 PolarHBondContact O-N 3.08Å; V510-Q513 PolarHBondContact O-N 3.26Å; Q513-R515 VanDerWaalsContact C-N 3.28Å; Q513-R515 PolarHBondContact O-N 3.08Å; Q513-R516 WeakPolarHBondContact O-CA 3.35Å; Q513-R516 WeakPolarHBondContact O-CB 3.49Å; Q513-R516 PolarHBondContact O-N 3.08Å; Q513-D517 WeakPolarHBondContact CG-OD2 3.32Å; Q513-D517 PolarHBondContact NE2-OD1 3.11Å; Q513-D517 PolarHBondContact NE2-OD2 3.47Å; Q513-D517 PolarHBondContact O-N 3.42Å |
| 514 | L | 85.9 | Confident | 83.6 | Confident | 77 Ų | 77 | 92.3 Ų | 92.3 | 40% | 0.403 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.8 | -39.8 | 175.6 | -175.7 | 65.8 | 0 | 0 | 0 | 112.5 | V510 D517 H518 V544 F545 | V510-L514 WeakPolarHBondContact O-CB 3.27Å; V510-L514 PolarHBondContact O-N 3.44Å; L514-D517 PolarHBondContact O-N 2.85Å; L514-H518 WeakPolarHBondContact O-CB 3.39Å; L514-H518 PolarHBondContact O-N 3.28Å; L514-V544 HydrophobicContact CD1-CG1 4.38Å; L514-F545 HydrophobicContact CD1-CE1 4.18Å; L514-F545 HydrophobicContact CD1-CZ 3.71Å |
| 515 | R | 86.2 | Confident | 84.7 | Confident | 158 Ų | 158 | 93.1 Ų | 93.1 | 60% | 0.596 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.8 | -38.8 | 173.5 | -73.9 | 165.7 | -178.4 | 162.8 | 0.3 | 112.6 | L511 H512 Q513 A519 | L511-R515 WeakPolarHBondContact O-CB 3.39Å; L511-R515 WeakPolarHBondContact O-CD 3.32Å; L511-R515 WeakPolarHBondContact O-CG 3.47Å; L511-R515 PolarHBondContact O-N 2.88Å; L511-R515 VanDerWaalsContact O-N 3.08Å; H512-R515 PolarHBondContact O-N 2.96Å; Q513-R515 VanDerWaalsContact C-N 3.28Å; Q513-R515 PolarHBondContact O-N 3.08Å; R515-A519 WeakPolarHBondContact O-CB 3.36Å; R515-A519 PolarHBondContact O-N 2.9Å; R515-A519 VanDerWaalsContact O-N 3.08Å |
| 516 | R | 85 | Confident | 84.9 | Confident | 154 Ų | 154 | 100.7 Ų | 100.7 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.3 | -43.8 | 175.4 | -75.1 | 177.4 | 53.2 | 75.5 | 8.2 | 111.7 | H512 Q513 A519 G520 | H512-R516 WeakPolarHBondContact O-CG 3.46Å; H512-R516 PolarHBondContact O-N 2.91Å; H512-R516 VanDerWaalsContact O-N 3.08Å; Q513-R516 WeakPolarHBondContact O-CA 3.35Å; Q513-R516 WeakPolarHBondContact O-CB 3.49Å; Q513-R516 PolarHBondContact O-N 3.08Å; R516-A519 PolarHBondContact O-N 3.49Å; R516-G520 PolarHBondContact O-N 3.36Å |
| 517 | D | 86.1 | Confident | 85.2 | Confident | 36 Ų | 36 | 99.7 Ų | 99.7 | 19% | 0.193 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -67 | -43.8 | -179.1 | -66.4 | -29.4 | 0 | 0 | 0 | 110.8 | Q513 L514 A519 G520 V521 P541 F545 | Q513-D517 WeakPolarHBondContact CG-OD2 3.32Å; Q513-D517 PolarHBondContact NE2-OD1 3.11Å; Q513-D517 PolarHBondContact NE2-OD2 3.47Å; Q513-D517 PolarHBondContact O-N 3.42Å; L514-D517 PolarHBondContact O-N 2.85Å; D517-A519 PolarHBondContact O-N 3.42Å; D517-G520 PolarHBondContact O-N 3.38Å; D517-G520 VanDerWaalsContact O-N 3.14Å; D517-V521 PolarHBondContact O-N 3.16Å; D517-P541 HydrophobicContact CB-CB 3.98Å; D517-P541 HydrophobicContact CB-CG 4.15Å; D517-F545 HydrophobicContact CB-CE2 4.21Å |
| 518 | H | 85.4 | Confident | 85.4 | Confident | 80 Ų | 80 | 104 Ų | 104 | 37% | 0.37 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.1 | -46.4 | 170.7 | -177.7 | -108.8 | 0 | 0 | 0 | 112.1 | L514 G520 V521 Q522 F545 | L514-H518 WeakPolarHBondContact O-CB 3.39Å; L514-H518 PolarHBondContact O-N 3.28Å; H518-G520 VanDerWaalsContact C-N 3.31Å; H518-G520 PolarHBondContact O-N 2.83Å; H518-V521 PolarHBondContact O-N 2.9Å; H518-Q522 VanDerWaalsContact CE1-CD 3.47Å; H518-Q522 PolarHBondContact CE1-NE2 3.48Å; H518-Q522 PolarHBondContact NE2-NE2 3.34Å; H518-Q522 WeakPolarHBondContact O-CG 3.14Å; H518-Q522 PolarHBondContact O-N 2.85Å; H518-F545 HydrophobicContact CB-CE1 4.25Å; H518-F545 HydrophobicContact CB-CE2 4.22Å; H518-F545 HydrophobicContact CB-CZ 3.63Å; H518-F545 AromaticContact CD2-CE1 3.9Å |
| 519 | A | 84.3 | Confident | 85.6 | Confident | 43 Ų | 43 | 104.7 Ų | 104.7 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64 | -34.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | R515 R516 D517 N523 | R515-A519 WeakPolarHBondContact O-CB 3.36Å; R515-A519 PolarHBondContact O-N 2.9Å; R515-A519 VanDerWaalsContact O-N 3.08Å; R516-A519 PolarHBondContact O-N 3.49Å; D517-A519 PolarHBondContact O-N 3.42Å; A519-N523 WeakPolarHBondContact O-CB 3.32Å; A519-N523 PolarHBondContact O-N 3.07Å; A519-N523 PolarHBondContact O-ND2 3.16Å |
| 520 | G | 83.9 | Confident | 85.7 | Confident | 35 Ų | 35 | 105.4 Ų | 105.4 | 36% | 0.361 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.1 | -27.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R516 D517 H518 Y542 | R516-G520 PolarHBondContact O-N 3.36Å; D517-G520 PolarHBondContact O-N 3.38Å; D517-G520 VanDerWaalsContact O-N 3.14Å; H518-G520 VanDerWaalsContact C-N 3.31Å; H518-G520 PolarHBondContact O-N 2.83Å; G520-Y542 PolarHBondContact O-OH 3.24Å; G520-Y542 VanDerWaalsContact O-OH 3.08Å |
| 521 | V | 84.3 | Confident | 85.9 | Confident | 35 Ų | 35 | 104 Ų | 104 | 21% | 0.212 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -76.9 | -41.2 | 170.5 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | D517 H518 N523 P541 Y542 F545 | D517-V521 PolarHBondContact O-N 3.16Å; H518-V521 PolarHBondContact O-N 2.9Å; V521-N523 VanDerWaalsContact C-N 3.3Å; V521-N523 PolarHBondContact O-N 2.98Å; V521-P541 HydrophobicContact CG2-CB 3.58Å; V521-Y542 WeakPolarHBondContact CA-OH 3.32Å; V521-Y542 HydrophobicContact CB-CE1 4.25Å; V521-Y542 HydrophobicContact CG1-CD1 4.07Å; V521-Y542 HydrophobicContact CG1-CE1 3.88Å; V521-Y542 HydrophobicContact CG2-CD1 4.1Å; V521-Y542 HydrophobicContact CG2-CD2 3.95Å; V521-Y542 HydrophobicContact CG2-CE1 4.13Å; V521-Y542 HydrophobicContact CG2-CE2 3.93Å; V521-Y542 HydrophobicContact CG2-CG 4.01Å; V521-Y542 PolarHBondContact O-OH 3.09Å; V521-F545 HydrophobicContact CB-CD2 4.3Å; V521-F545 HydrophobicContact CG2-CD2 3.81Å; V521-F545 HydrophobicContact CG2-CE2 4.3Å |
| 522 | Q | 83 | Confident | 86.1 | Confident | 125 Ų | 125 | 105.8 Ų | 105.8 | 58% | 0.584 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67 | -29.1 | 175 | -72 | -169.5 | -21.1 | 0 | 0 | 113.3 | H518 P524 | H518-Q522 VanDerWaalsContact CE1-CD 3.47Å; H518-Q522 PolarHBondContact CE1-NE2 3.48Å; H518-Q522 PolarHBondContact NE2-NE2 3.34Å; H518-Q522 WeakPolarHBondContact O-CG 3.14Å; H518-Q522 PolarHBondContact O-N 2.85Å; Q522-P524 VanDerWaalsContact C-CD 3.45Å; Q522-P524 VanDerWaalsContact O-CD 3.32Å; Q522-P524 WeakPolarHBondContact O-CD 3.25Å |
| 523 | N | 82.4 | Confident | 86.3 | Confident | 118 Ų | 118 | 106.1 Ų | 106.1 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -121.9 | 69.9 | -176.4 | -62.4 | -89.5 | 0 | 0 | 0 | 111.8 | A519 V521 N525 | A519-N523 WeakPolarHBondContact O-CB 3.32Å; A519-N523 PolarHBondContact O-N 3.07Å; A519-N523 PolarHBondContact O-ND2 3.16Å; V521-N523 VanDerWaalsContact C-N 3.3Å; V521-N523 PolarHBondContact O-N 2.98Å; N523-N525 PolarHBondContact O-N 2.89Å; N523-N525 VanDerWaalsContact O-N 3.12Å |
| 524 | P | 83.1 | Confident | 86.4 | Confident | 63 Ų | 63 | 103.3 Ų | 103.3 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | | | trans | -58.7 | 114.7 | -176.9 | 20.7 | -32.6 | 0 | 0 | 0 | 112.6 | Q522 R526 Y542 | Q522-P524 VanDerWaalsContact C-CD 3.45Å; Q522-P524 VanDerWaalsContact O-CD 3.32Å; Q522-P524 WeakPolarHBondContact O-CD 3.25Å; P524-R526 WeakPolarHBondContact O-CG 3.28Å; P524-R526 PolarHBondContact O-N 2.87Å; P524-Y542 WeakPolarHBondContact CB-OH 3.33Å |
| 525 | N | 79.7 | Confident | 86.5 | Confident | 81 Ų | 81 | 100.7 Ų | 100.7 | 43% | 0.433 | 49% | 0.494 | S | S | . | . | | | trans | -73.3 | 88 | 173.2 | -177.9 | 0.7 | 0 | 0 | 0 | 110.8 | N523 R527 R538 | N523-N525 PolarHBondContact O-N 2.89Å; N523-N525 VanDerWaalsContact O-N 3.12Å; N525-R527 PolarHBondContact O-N 3.32Å; N525-R527 WeakPolarHBondContact OD1-CB 3.43Å; N525-R527 WeakPolarHBondContact OD1-CD 3.21Å; N525-R527 VanDerWaalsContact OD1-CG 3.27Å; N525-R527 WeakPolarHBondContact OD1-CG 3.39Å; N525-R527 PolarHBondContact OD1-N 3.46Å; N525-R538 PolarHBondContact O-NH1 2.79Å |
| 526 | R | 82.7 | Confident | 86.6 | Confident | 233 Ų | 233 | 97.9 Ų | 97.9 | 88% | 0.879 | 49% | 0.491 | S | S | * | . | | | trans | -65.4 | 9.6 | -177.7 | -57.1 | -175.1 | -176.7 | -177.1 | -0.3 | 115.6 | P524 | P524-R526 WeakPolarHBondContact O-CG 3.28Å; P524-R526 PolarHBondContact O-N 2.87Å |
| 527 | R | 87.4 | Confident | 86.7 | Confident | 196 Ų | 196 | 96.5 Ų | 96.5 | 74% | 0.74 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -74.9 | 142.1 | 173.2 | -64.7 | 176.9 | -175 | -171.3 | 2.8 | 109.9 | N525 R538 | N525-R527 PolarHBondContact O-N 3.32Å; N525-R527 WeakPolarHBondContact OD1-CB 3.43Å; N525-R527 WeakPolarHBondContact OD1-CD 3.21Å; N525-R527 VanDerWaalsContact OD1-CG 3.27Å; N525-R527 WeakPolarHBondContact OD1-CG 3.39Å; N525-R527 PolarHBondContact OD1-N 3.46Å; R527-R538 PolarHBondContact O-NH1 3.37Å |
| 528 | K | 88.2 | Confident | 86.6 | Confident | 195 Ų | 195 | 97.2 Ų | 97.2 | 85% | 0.848 | 49% | 0.491 | S | S | * | . | P | Polyproline II helix | trans | -48.8 | 142.4 | 171.7 | -61.6 | -176.4 | -179.9 | -176.4 | 0 | 110.8 | | |
| 529 | F | 92.5 | Very high | 86.7 | Confident | 108 Ų | 108 | 97.3 Ų | 97.3 | 47% | 0.474 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 139.3 | 176.6 | -53.9 | -65.4 | 0 | 0 | 0 | 110.9 | D534 A535 R538 L539 | F529-D534 VanDerWaalsContact CA-OD2 3.25Å; F529-D534 WeakPolarHBondContact CA-OD2 3.39Å; F529-A535 HydrophobicContact CB-CB 4.2Å; F529-A535 HydrophobicContact CD1-CB 3.81Å; F529-A535 HydrophobicContact CD2-CB 4.1Å; F529-A535 HydrophobicContact CE1-CB 4.18Å; F529-A535 HydrophobicContact CE2-CB 4.45Å; F529-A535 HydrophobicContact CG-CB 3.77Å; F529-A535 HydrophobicContact CZ-CB 4.49Å; F529-R538 HydrophobicContact CE1-CB 4.2Å; F529-L539 HydrophobicContact CE1-CG 4.39Å; F529-L539 HydrophobicContact CE2-CD1 4.43Å; F529-L539 HydrophobicContact CZ-CD1 3.92Å; F529-L539 HydrophobicContact CZ-CD2 4.19Å; F529-L539 HydrophobicContact CZ-CG 4.07Å |
| 530 | T | 89.6 | Confident | 86.8 | Confident | 121 Ų | 121 | 100.8 Ų | 100.8 | 74% | 0.742 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -99.7 | -13.5 | 179.6 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | D534 | T530-D534 PolarHBondContact N-OD2 3Å; T530-D534 PolarHBondContact OG1-OD2 2.72Å |
| 531 | S | 93.5 | Very high | 86.9 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 47% | 0.469 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -157.2 | 164.8 | 179.1 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | E533 D534 A535 | S531-E533 VanDerWaalsContact C-N 3.27Å; S531-E533 PolarHBondContact OG-N 2.89Å; S531-D534 PolarHBondContact O-N 2.87Å; S531-A535 PolarHBondContact O-N 2.74Å; S531-A535 VanDerWaalsContact O-N 3.09Å |
| 532 | V | 92.6 | Very high | 86.9 | Confident | 114 Ų | 114 | 102 Ų | 102 | 69% | 0.691 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -40.1 | 168 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | D534 A535 L536 | V532-D534 VanDerWaalsContact C-N 3.32Å; V532-D534 PolarHBondContact O-N 3.49Å; V532-A535 WeakPolarHBondContact O-CB 3.5Å; V532-A535 PolarHBondContact O-N 3.22Å; V532-A535 VanDerWaalsContact O-N 3.09Å; V532-L536 HydrophobicContact CG1-CD1 4.3Å; V532-L536 HydrophobicContact CG1-CG 4.49Å; V532-L536 WeakPolarHBondContact O-CG 3.41Å; V532-L536 PolarHBondContact O-N 2.99Å |
| 533 | E | 90.4 | Very high | 86.8 | Confident | 102 Ų | 102 | 102 Ų | 102 | 48% | 0.477 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 175.6 | -175.6 | 59.5 | -157.2 | 0 | 0 | 112 | S531 A535 L536 Q537 | S531-E533 VanDerWaalsContact C-N 3.27Å; S531-E533 PolarHBondContact OG-N 2.89Å; E533-A535 VanDerWaalsContact C-N 3.28Å; E533-A535 PolarHBondContact O-N 2.95Å; E533-L536 PolarHBondContact O-N 2.88Å; E533-Q537 HydrophobicContact CG-CG 4.46Å; E533-Q537 WeakPolarHBondContact O-CB 3.37Å; E533-Q537 WeakPolarHBondContact O-CG 3.45Å; E533-Q537 PolarHBondContact O-N 3.33Å; E533-Q537 WeakPolarHBondContact OE1-CG 3.42Å; E533-Q537 PolarHBondContact OE1-NE2 2.59Å |
| 534 | D | 88.5 | Confident | 86.3 | Confident | 29 Ų | 29 | 100.7 Ų | 100.7 | 16% | 0.155 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -70.3 | -23.2 | 176.3 | 176.9 | 66.8 | 0 | 0 | 0 | 112.6 | F529 T530 S531 V532 R538 | F529-D534 VanDerWaalsContact CA-OD2 3.25Å; F529-D534 WeakPolarHBondContact CA-OD2 3.39Å; T530-D534 PolarHBondContact N-OD2 3Å; T530-D534 PolarHBondContact OG1-OD2 2.72Å; S531-D534 PolarHBondContact O-N 2.87Å; V532-D534 VanDerWaalsContact C-N 3.32Å; V532-D534 PolarHBondContact O-N 3.49Å; D534-R538 WeakPolarHBondContact O-CB 3.2Å; D534-R538 WeakPolarHBondContact O-CD 3.36Å; D534-R538 WeakPolarHBondContact O-CG 3.49Å; D534-R538 IonicContact OD1-CZ 3.24Å; D534-R538 IonicContact OD1-NE 3.53Å; D534-R538 PolarHBondContact OD1-NE 3.25Å; D534-R538 IonicContact OD1-NH2 2.59Å; D534-R538 PolarHBondContact OD1-NH2 3.04Å; D534-R538 IonicContact OD2-CZ 3.97Å; D534-R538 VanDerWaalsContact OD2-CZ 3.24Å; D534-R538 IonicContact OD2-NE 3.52Å; D534-R538 IonicContact OD2-NH1 4Å; D534-R538 IonicContact OD2-NH2 3.97Å; D534-R538 PolarHBondContact OD2-NH2 2.99Å |
| 535 | A | 88.4 | Confident | 85.7 | Confident | 21 Ų | 21 | 101.2 Ų | 101.2 | 17% | 0.174 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -76.1 | -46.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F529 S531 V532 E533 R538 L539 | F529-A535 HydrophobicContact CB-CB 4.2Å; F529-A535 HydrophobicContact CD1-CB 3.81Å; F529-A535 HydrophobicContact CD2-CB 4.1Å; F529-A535 HydrophobicContact CE1-CB 4.18Å; F529-A535 HydrophobicContact CE2-CB 4.45Å; F529-A535 HydrophobicContact CG-CB 3.77Å; F529-A535 HydrophobicContact CZ-CB 4.49Å; S531-A535 PolarHBondContact O-N 2.74Å; S531-A535 VanDerWaalsContact O-N 3.09Å; V532-A535 WeakPolarHBondContact O-CB 3.5Å; V532-A535 PolarHBondContact O-N 3.22Å; V532-A535 VanDerWaalsContact O-N 3.09Å; E533-A535 VanDerWaalsContact C-N 3.28Å; E533-A535 PolarHBondContact O-N 2.95Å; A535-R538 PolarHBondContact O-N 3.27Å; A535-L539 HydrophobicContact CB-CD1 4.38Å; A535-L539 VanDerWaalsContact O-CB 3.26Å; A535-L539 WeakPolarHBondContact O-CB 3.24Å; A535-L539 VanDerWaalsContact O-CG 3.27Å; A535-L539 WeakPolarHBondContact O-CG 3.47Å; A535-L539 PolarHBondContact O-N 3.36Å |
| 536 | L | 87.8 | Confident | 85 | Confident | 100 Ų | 100 | 104.9 Ų | 104.9 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -52.3 | 178.9 | -68.9 | 173.6 | 0 | 0 | 0 | 111.7 | V532 E533 R538 L539 L540 | V532-L536 HydrophobicContact CG1-CD1 4.3Å; V532-L536 HydrophobicContact CG1-CG 4.49Å; V532-L536 WeakPolarHBondContact O-CG 3.41Å; V532-L536 PolarHBondContact O-N 2.99Å; E533-L536 PolarHBondContact O-N 2.88Å; L536-R538 PolarHBondContact O-N 2.65Å; L536-R538 VanDerWaalsContact O-N 3.16Å; L536-L539 PolarHBondContact O-N 2.75Å; L536-L540 WeakPolarHBondContact O-CB 3.49Å; L536-L540 PolarHBondContact O-N 2.87Å |
| 537 | Q | 86.1 | Confident | 84.3 | Confident | 125 Ų | 125 | 96.8 Ų | 96.8 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.6 | -26.5 | 179.7 | -70 | -177.1 | 11.6 | 0 | 0 | 113.5 | E533 P541 | E533-Q537 HydrophobicContact CG-CG 4.46Å; E533-Q537 WeakPolarHBondContact O-CB 3.37Å; E533-Q537 WeakPolarHBondContact O-CG 3.45Å; E533-Q537 PolarHBondContact O-N 3.33Å; E533-Q537 WeakPolarHBondContact OE1-CG 3.42Å; E533-Q537 PolarHBondContact OE1-NE2 2.59Å; Q537-P541 WeakPolarHBondContact O-CD 3.22Å |
| 538 | R | 86 | Confident | 83.5 | Confident | 51 Ų | 51 | 91.9 Ų | 91.9 | 19% | 0.192 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -91.9 | -27.6 | 178.1 | -67.4 | -177.7 | -161.9 | -179 | 15.3 | 113.8 | N525 R527 F529 D534 A535 L536 Y542 | N525-R538 PolarHBondContact O-NH1 2.79Å; R527-R538 PolarHBondContact O-NH1 3.37Å; F529-R538 HydrophobicContact CE1-CB 4.2Å; D534-R538 WeakPolarHBondContact O-CB 3.2Å; D534-R538 WeakPolarHBondContact O-CD 3.36Å; D534-R538 WeakPolarHBondContact O-CG 3.49Å; D534-R538 IonicContact OD1-CZ 3.24Å; D534-R538 IonicContact OD1-NE 3.53Å; D534-R538 PolarHBondContact OD1-NE 3.25Å; D534-R538 IonicContact OD1-NH2 2.59Å; D534-R538 PolarHBondContact OD1-NH2 3.04Å; D534-R538 IonicContact OD2-CZ 3.97Å; D534-R538 VanDerWaalsContact OD2-CZ 3.24Å; D534-R538 IonicContact OD2-NE 3.52Å; D534-R538 IonicContact OD2-NH1 4Å; D534-R538 IonicContact OD2-NH2 3.97Å; D534-R538 PolarHBondContact OD2-NH2 2.99Å; A535-R538 PolarHBondContact O-N 3.27Å; L536-R538 PolarHBondContact O-N 2.65Å; L536-R538 VanDerWaalsContact O-N 3.16Å; R538-Y542 WeakPolarHBondContact O-CD2 3.34Å; R538-Y542 WeakPolarHBondContact O-CE2 3.48Å |
| 539 | L | 86.9 | Confident | 82.8 | Confident | 82 Ų | 82 | 87.8 Ų | 87.8 | 43% | 0.429 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -98.1 | -28.4 | -175.6 | -66.3 | 172.6 | 0 | 0 | 0 | 113.3 | F529 A535 L536 Y542 H543 | F529-L539 HydrophobicContact CE1-CG 4.39Å; F529-L539 HydrophobicContact CE2-CD1 4.43Å; F529-L539 HydrophobicContact CZ-CD1 3.92Å; F529-L539 HydrophobicContact CZ-CD2 4.19Å; F529-L539 HydrophobicContact CZ-CG 4.07Å; A535-L539 HydrophobicContact CB-CD1 4.38Å; A535-L539 VanDerWaalsContact O-CB 3.26Å; A535-L539 WeakPolarHBondContact O-CB 3.24Å; A535-L539 VanDerWaalsContact O-CG 3.27Å; A535-L539 WeakPolarHBondContact O-CG 3.47Å; A535-L539 PolarHBondContact O-N 3.36Å; L536-L539 PolarHBondContact O-N 2.75Å; L539-Y542 PolarHBondContact O-N 2.74Å; L539-H543 PolarHBondContact O-ND1 3.22Å |
| 540 | L | 85.7 | Confident | 82.4 | Confident | 116 Ų | 116 | 86 Ų | 86 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -57.5 | -42.1 | 177.5 | -174.6 | 67.1 | 0 | 0 | 0 | 113 | L536 Y542 H543 | L536-L540 WeakPolarHBondContact O-CB 3.49Å; L536-L540 PolarHBondContact O-N 2.87Å; L540-Y542 PolarHBondContact O-N 3.04Å; L540-H543 WeakPolarHBondContact O-CB 3.43Å; L540-H543 PolarHBondContact O-N 3.03Å |
| 541 | P | 87.1 | Confident | 82.1 | Confident | 8 Ų | 8 | 82.7 Ų | 82.7 | 5% | 0.052 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -53.5 | -37.3 | 175.3 | -31.8 | 39.6 | 0 | 0 | 0 | 114.4 | D517 V521 Q537 H543 V544 F545 | D517-P541 HydrophobicContact CB-CB 3.98Å; D517-P541 HydrophobicContact CB-CG 4.15Å; V521-P541 HydrophobicContact CG2-CB 3.58Å; Q537-P541 WeakPolarHBondContact O-CD 3.22Å; P541-H543 PolarHBondContact O-N 3.44Å; P541-V544 PolarHBondContact O-N 3.05Å; P541-F545 VanDerWaalsContact O-CD2 3.29Å; P541-F545 WeakPolarHBondContact O-CD2 3.22Å; P541-F545 PolarHBondContact O-N 2.87Å |
| 542 | Y | 83.7 | Confident | 81.9 | Confident | 88 Ų | 88 | 85.6 Ų | 85.6 | 35% | 0.345 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.1 | -18.6 | -177.9 | -67.4 | -98.1 | 0 | 0 | 0 | 113.4 | G520 V521 P524 R538 L539 L540 | G520-Y542 PolarHBondContact O-OH 3.24Å; G520-Y542 VanDerWaalsContact O-OH 3.08Å; V521-Y542 WeakPolarHBondContact CA-OH 3.32Å; V521-Y542 HydrophobicContact CB-CE1 4.25Å; V521-Y542 HydrophobicContact CG1-CD1 4.07Å; V521-Y542 HydrophobicContact CG1-CE1 3.88Å; V521-Y542 HydrophobicContact CG2-CD1 4.1Å; V521-Y542 HydrophobicContact CG2-CD2 3.95Å; V521-Y542 HydrophobicContact CG2-CE1 4.13Å; V521-Y542 HydrophobicContact CG2-CE2 3.93Å; V521-Y542 HydrophobicContact CG2-CG 4.01Å; V521-Y542 PolarHBondContact O-OH 3.09Å; P524-Y542 WeakPolarHBondContact CB-OH 3.33Å; R538-Y542 WeakPolarHBondContact O-CD2 3.34Å; R538-Y542 WeakPolarHBondContact O-CE2 3.48Å; L539-Y542 PolarHBondContact O-N 2.74Å; L540-Y542 PolarHBondContact O-N 3.04Å |
| 543 | H | 79.8 | Confident | 81.9 | Confident | 124 Ų | 124 | 86 Ų | 86 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -80.7 | -27.1 | 173.4 | -61.7 | 72.8 | 0 | 0 | 0 | 111.8 | L539 L540 P541 Q546 | L539-H543 PolarHBondContact O-ND1 3.22Å; L540-H543 WeakPolarHBondContact O-CB 3.43Å; L540-H543 PolarHBondContact O-N 3.03Å; P541-H543 PolarHBondContact O-N 3.44Å; H543-Q546 WeakPolarHBondContact O-CB 3.49Å |
| 544 | V | 72.9 | Confident | 81.8 | Confident | 91 Ų | 91 | 85.6 Ų | 85.6 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -76.1 | -31.2 | 179.1 | -177 | 0 | 0 | 0 | 0 | 111.6 | L514 P541 Q546 | L514-V544 HydrophobicContact CD1-CG1 4.38Å; P541-V544 PolarHBondContact O-N 3.05Å; V544-Q546 VanDerWaalsContact C-N 3.35Å |
| 545 | F | 69.9 | Low | 82 | Confident | 74 Ų | 74 | 88.8 Ų | 88.8 | 33% | 0.325 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 25.8 | 174.5 | -57.5 | -79.6 | 0 | 0 | 0 | 112.5 | L514 D517 H518 V521 P541 G547 | L514-F545 HydrophobicContact CD1-CE1 4.18Å; L514-F545 HydrophobicContact CD1-CZ 3.71Å; D517-F545 HydrophobicContact CB-CE2 4.21Å; H518-F545 HydrophobicContact CB-CE1 4.25Å; H518-F545 HydrophobicContact CB-CE2 4.22Å; H518-F545 HydrophobicContact CB-CZ 3.63Å; H518-F545 AromaticContact CD2-CE1 3.9Å; V521-F545 HydrophobicContact CB-CD2 4.3Å; V521-F545 HydrophobicContact CG2-CD2 3.81Å; V521-F545 HydrophobicContact CG2-CE2 4.3Å; P541-F545 VanDerWaalsContact O-CD2 3.29Å; P541-F545 WeakPolarHBondContact O-CD2 3.22Å; P541-F545 PolarHBondContact O-N 2.87Å; F545-G547 PolarHBondContact O-N 3.06Å; F545-G547 VanDerWaalsContact O-N 3.12Å |
| 546 | Q | 66 | Low | 82.3 | Confident | 157 Ų | 157 | 89.9 Ų | 89.9 | 73% | 0.734 | 49% | 0.489 | S | S | * | . | | | trans | -80 | 92.3 | 177.5 | -173 | 172.3 | -0.7 | 0 | 0 | 110.9 | H543 V544 | H543-Q546 WeakPolarHBondContact O-CB 3.49Å; V544-Q546 VanDerWaalsContact C-N 3.35Å |
| 547 | G | 67.8 | Low | 82.7 | Confident | 63 Ų | 63 | 90.3 Ų | 90.3 | 65% | 0.649 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -153.8 | 159.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | F545 | F545-G547 PolarHBondContact O-N 3.06Å; F545-G547 VanDerWaalsContact O-N 3.12Å |
| 548 | A | 71.1 | Confident | 83.2 | Confident | 93 Ų | 93 | 88.6 Ų | 88.6 | 77% | 0.769 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -65 | 141.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 549 | P | 73.5 | Confident | 83.7 | Confident | 110 Ų | 110 | 91.1 Ų | 91.1 | 71% | 0.714 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -61 | 144 | 161.4 | 29.5 | -33.1 | 0 | 0 | 0 | 108.2 | C551 | P549-C551 PolarHBondContact O-N 3.27Š|
| 550 | P | 82.2 | Confident | 84.2 | Confident | 71 Ų | 71 | 92.3 Ų | 92.3 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -50 | 131.1 | 174.2 | -27.8 | 35.5 | 0 | 0 | 0 | 110.2 | E554 F555 | P550-E554 WeakPolarHBondContact CA-OE2 3.37Å; P550-E554 HydrophobicContact CB-CB 4.49Å; P550-E554 WeakPolarHBondContact CB-OE2 3.46Å; P550-F555 HydrophobicContact CB-CD2 4.45Å; P550-F555 HydrophobicContact CB-CE2 3.79Å; P550-F555 HydrophobicContact CB-CZ 3.89Å; P550-F555 HydrophobicContact CG-CZ 4.33Å; P550-F555 WeakPolarHBondContact O-CE2 3.17Å |
| 551 | C | 84.3 | Confident | 84.8 | Confident | 51 Ų | 51 | 91.9 Ų | 91.9 | 35% | 0.345 | 51% | 0.505 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 164 | -176.3 | 71.9 | 0 | 0 | 0 | 0 | 111.3 | P549 D553 E554 F555 | P549-C551 PolarHBondContact O-N 3.27Å; C551-D553 PolarHBondContact O-N 3.43Å; C551-E554 PolarHBondContact N-OE1 3.16Å; C551-E554 PolarHBondContact O-N 2.96Å; C551-E554 PolarHBondContact SG-N 2.98Å; C551-E554 VanDerWaalsContact SG-N 3.36Å; C551-E554 PolarHBondContact SG-OE1 3.39Å; C551-F555 VanDerWaalsContact O-CD2 3.29Å; C551-F555 WeakPolarHBondContact O-CD2 3.27Å; C551-F555 PolarHBondContact O-N 3.41Å |
| 552 | Q | 90.2 | Very high | 85.3 | Confident | 128 Ų | 128 | 98.2 Ų | 98.2 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61 | -29.1 | 177.6 | -177.4 | 56 | 64.4 | 0 | 0 | 111.4 | F555 S556 | Q552-F555 PolarHBondContact O-N 2.9Å; Q552-S556 PolarHBondContact O-N 2.87Å; Q552-S556 PolarHBondContact O-OG 3.19Å |
| 553 | D | 91.1 | Very high | 86 | Confident | 121 Ų | 121 | 99.4 Ų | 99.4 | 65% | 0.647 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.7 | -36.3 | -179.4 | -44.5 | -50.6 | 0 | 0 | 0 | 111.4 | C551 S556 Q557 | C551-D553 PolarHBondContact O-N 3.43Å; D553-S556 PolarHBondContact O-N 2.93Å; D553-Q557 WeakPolarHBondContact O-CB 3.27Å; D553-Q557 PolarHBondContact O-N 3.46Å |
| 554 | E | 89.3 | Confident | 86.9 | Confident | 95 Ų | 95 | 99.4 Ų | 99.4 | 44% | 0.444 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.2 | -40.7 | 169.8 | -74.9 | 159.9 | -111.5 | 0 | 0 | 112 | P550 C551 V558 | P550-E554 WeakPolarHBondContact CA-OE2 3.37Å; P550-E554 HydrophobicContact CB-CB 4.49Å; P550-E554 WeakPolarHBondContact CB-OE2 3.46Å; C551-E554 PolarHBondContact N-OE1 3.16Å; C551-E554 PolarHBondContact O-N 2.96Å; C551-E554 PolarHBondContact SG-N 2.98Å; C551-E554 VanDerWaalsContact SG-N 3.36Å; C551-E554 PolarHBondContact SG-OE1 3.39Å; E554-V558 WeakPolarHBondContact O-CG2 3.28Å; E554-V558 PolarHBondContact O-N 3.19Å; E554-V558 VanDerWaalsContact O-N 3.15Å |
| 555 | F | 92.1 | Very high | 88.1 | Confident | 95 Ų | 95 | 99.4 Ų | 99.4 | 42% | 0.417 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 175.3 | -74.9 | -65.4 | 0 | 0 | 0 | 111.7 | P550 C551 Q552 Q557 V558 D559 | P550-F555 HydrophobicContact CB-CD2 4.45Å; P550-F555 HydrophobicContact CB-CE2 3.79Å; P550-F555 HydrophobicContact CB-CZ 3.89Å; P550-F555 HydrophobicContact CG-CZ 4.33Å; P550-F555 WeakPolarHBondContact O-CE2 3.17Å; C551-F555 VanDerWaalsContact O-CD2 3.29Å; C551-F555 WeakPolarHBondContact O-CD2 3.27Å; C551-F555 PolarHBondContact O-N 3.41Å; Q552-F555 PolarHBondContact O-N 2.9Å; F555-Q557 VanDerWaalsContact C-N 3.34Å; F555-Q557 PolarHBondContact O-N 2.87Å; F555-V558 PolarHBondContact O-N 2.65Å; F555-D559 PolarHBondContact O-N 2.87Å |
| 556 | S | 95.1 | Very high | 89.5 | Confident | 44 Ų | 44 | 97.3 Ų | 97.3 | 31% | 0.308 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 176.5 | -53.9 | 0 | 0 | 0 | 0 | 111.3 | Q552 D553 V558 D559 D560 | Q552-S556 PolarHBondContact O-N 2.87Å; Q552-S556 PolarHBondContact O-OG 3.19Å; D553-S556 PolarHBondContact O-N 2.93Å; S556-V558 VanDerWaalsContact C-N 3.34Å; S556-V558 PolarHBondContact O-N 3.26Å; S556-D559 PolarHBondContact O-N 2.96Å; S556-D560 WeakPolarHBondContact O-CB 3.41Å; S556-D560 VanDerWaalsContact O-CG 3.24Å; S556-D560 PolarHBondContact O-N 2.94Å |
| 557 | Q | 95.7 | Very high | 91 | Very high | 109 Ų | 109 | 93 Ų | 93 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 175.9 | -178.6 | -175.5 | -18.9 | 0 | 0 | 112.1 | D553 F555 D560 E561 | D553-Q557 WeakPolarHBondContact O-CB 3.27Å; D553-Q557 PolarHBondContact O-N 3.46Å; F555-Q557 VanDerWaalsContact C-N 3.34Å; F555-Q557 PolarHBondContact O-N 2.87Å; Q557-D560 PolarHBondContact O-N 2.96Å; Q557-E561 HydrophobicContact CG-CG 4.45Å; Q557-E561 WeakPolarHBondContact CG-OE1 3.49Å; Q557-E561 PolarHBondContact NE2-OE1 3.33Å; Q557-E561 WeakPolarHBondContact O-CB 3.4Å; Q557-E561 WeakPolarHBondContact O-CG 3.43Å; Q557-E561 PolarHBondContact O-N 3.02Å |
| 558 | V | 96.7 | Very high | 92.5 | Very high | 89 Ų | 89 | 96.3 Ų | 96.3 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.2 | -34.7 | 178.9 | 170.8 | 0 | 0 | 0 | 0 | 112.1 | E554 F555 S556 F562 | E554-V558 WeakPolarHBondContact O-CG2 3.28Å; E554-V558 PolarHBondContact O-N 3.19Å; E554-V558 VanDerWaalsContact O-N 3.15Å; F555-V558 PolarHBondContact O-N 2.65Å; S556-V558 VanDerWaalsContact C-N 3.34Å; S556-V558 PolarHBondContact O-N 3.26Å; V558-F562 VanDerWaalsContact O-CB 3.28Å; V558-F562 WeakPolarHBondContact O-CB 3.28Å; V558-F562 PolarHBondContact O-N 3.24Å |
| 559 | D | 96.7 | Very high | 93.8 | Very high | 105 Ų | 105 | 95.8 Ų | 95.8 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -70.1 | -39.2 | 174.2 | -72.3 | -23.2 | 0 | 0 | 0 | 111.3 | F555 S556 F562 E563 | F555-D559 PolarHBondContact O-N 2.87Å; S556-D559 PolarHBondContact O-N 2.96Å; D559-F562 PolarHBondContact O-N 2.91Å; D559-E563 PolarHBondContact O-N 2.89Å |
| 560 | D | 97.5 | Very high | 95 | Very high | 107 Ų | 107 | 95.3 Ų | 95.3 | 57% | 0.572 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.7 | -48.5 | 174.7 | -70.5 | -30.4 | 0 | 0 | 0 | 111.5 | S556 Q557 F562 E563 D564 | S556-D560 WeakPolarHBondContact O-CB 3.41Å; S556-D560 VanDerWaalsContact O-CG 3.24Å; S556-D560 PolarHBondContact O-N 2.94Å; Q557-D560 PolarHBondContact O-N 2.96Å; D560-F562 PolarHBondContact O-N 3.18Å; D560-E563 PolarHBondContact O-N 3.34Å; D560-D564 PolarHBondContact O-N 3.26Å |
| 561 | E | 97.6 | Very high | 95.7 | Very high | 106 Ų | 106 | 95.6 Ų | 95.6 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -35.8 | 174.5 | -77.4 | 177.8 | -158.9 | 0 | 0 | 111.9 | Q557 V565 | Q557-E561 HydrophobicContact CG-CG 4.45Å; Q557-E561 WeakPolarHBondContact CG-OE1 3.49Å; Q557-E561 PolarHBondContact NE2-OE1 3.33Å; Q557-E561 WeakPolarHBondContact O-CB 3.4Å; Q557-E561 WeakPolarHBondContact O-CG 3.43Å; Q557-E561 PolarHBondContact O-N 3.02Å; E561-V565 VanDerWaalsContact O-CG2 3.32Å; E561-V565 WeakPolarHBondContact O-CG2 3.23Å; E561-V565 PolarHBondContact O-N 3.05Å |
| 562 | F | 98.4 | Very high | 96.4 | Very high | 141 Ų | 141 | 100.1 Ų | 100.1 | 62% | 0.618 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.3 | -44.7 | 175 | 175.8 | -93.1 | 0 | 0 | 0 | 112.2 | V558 D559 D560 V565 A566 | V558-F562 VanDerWaalsContact O-CB 3.28Å; V558-F562 WeakPolarHBondContact O-CB 3.28Å; V558-F562 PolarHBondContact O-N 3.24Å; D559-F562 PolarHBondContact O-N 2.91Å; D560-F562 PolarHBondContact O-N 3.18Å; F562-V565 PolarHBondContact O-N 3.2Å; F562-A566 HydrophobicContact CE1-CB 4.41Å; F562-A566 VanDerWaalsContact O-CB 3.25Å; F562-A566 WeakPolarHBondContact O-CB 3.44Å; F562-A566 PolarHBondContact O-N 2.78Å |
| 563 | E | 98.4 | Very high | 96.8 | Very high | 114 Ų | 114 | 97.8 Ų | 97.8 | 53% | 0.533 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -37.2 | -179.6 | -171.5 | 65.3 | -169.5 | 0 | 0 | 111.8 | D559 D560 A566 T567 | D559-E563 PolarHBondContact O-N 2.89Å; D560-E563 PolarHBondContact O-N 3.34Å; E563-A566 PolarHBondContact O-N 2.88Å; E563-T567 WeakPolarHBondContact O-CB 3.28Å; E563-T567 PolarHBondContact O-N 3.19Å; E563-T567 PolarHBondContact O-OG1 3.16Å |
| 564 | D | 98.3 | Very high | 97.2 | Very high | 123 Ų | 123 | 96.5 Ų | 96.5 | 66% | 0.658 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.2 | -48.9 | 172.8 | -99.5 | -9.8 | 0 | 0 | 0 | 111.6 | D560 T567 Q568 | D560-D564 PolarHBondContact O-N 3.26Å; D564-T567 PolarHBondContact O-N 3.32Å; D564-Q568 WeakPolarHBondContact O-CB 3.39Å; D564-Q568 PolarHBondContact O-N 3.04Å |
| 565 | V | 98.4 | Very high | 97.6 | Very high | 92 Ų | 92 | 95.2 Ų | 95.2 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.8 | -41.9 | 178.2 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | E561 F562 Q568 V569 | E561-V565 VanDerWaalsContact O-CG2 3.32Å; E561-V565 WeakPolarHBondContact O-CG2 3.23Å; E561-V565 PolarHBondContact O-N 3.05Å; F562-V565 PolarHBondContact O-N 3.2Å; V565-Q568 PolarHBondContact O-N 3.48Å; V565-V569 WeakPolarHBondContact O-CG2 3.36Å; V565-V569 PolarHBondContact O-N 2.91Å |
| 566 | A | 98.4 | Very high | 97.9 | Very high | 29 Ų | 29 | 96.7 Ų | 96.7 | 24% | 0.24 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -62.1 | -47.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F562 E563 Q568 V569 V570 | F562-A566 HydrophobicContact CE1-CB 4.41Å; F562-A566 VanDerWaalsContact O-CB 3.25Å; F562-A566 WeakPolarHBondContact O-CB 3.44Å; F562-A566 PolarHBondContact O-N 2.78Å; E563-A566 PolarHBondContact O-N 2.88Å; A566-Q568 VanDerWaalsContact C-N 3.35Å; A566-Q568 PolarHBondContact O-N 2.81Å; A566-V569 PolarHBondContact O-N 3.48Å; A566-V570 WeakPolarHBondContact O-CB 3.28Å; A566-V570 WeakPolarHBondContact O-CG2 3.21Å; A566-V570 PolarHBondContact O-N 3.45Å |
| 567 | T | 98.4 | Very high | 98.1 | Very high | 68 Ų | 68 | 97.2 Ų | 97.2 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.1 | -66.3 | 0 | 0 | 0 | 0 | 111.5 | E563 D564 V570 T571 | E563-T567 WeakPolarHBondContact O-CB 3.28Å; E563-T567 PolarHBondContact O-N 3.19Å; E563-T567 PolarHBondContact O-OG1 3.16Å; D564-T567 PolarHBondContact O-N 3.32Å; T567-V570 PolarHBondContact O-N 2.99Å; T567-T571 WeakPolarHBondContact O-CB 3.3Å; T567-T571 PolarHBondContact O-N 3.29Å; T567-T571 PolarHBondContact O-OG1 3.43Å |
| 568 | Q | 98.3 | Very high | 98.2 | Very high | 131 Ų | 131 | 95.7 Ų | 95.7 | 61% | 0.612 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 175.6 | -168.5 | -170.6 | 103.1 | 0 | 0 | 111.7 | D564 V565 A566 T571 K572 | D564-Q568 WeakPolarHBondContact O-CB 3.39Å; D564-Q568 PolarHBondContact O-N 3.04Å; V565-Q568 PolarHBondContact O-N 3.48Å; A566-Q568 VanDerWaalsContact C-N 3.35Å; A566-Q568 PolarHBondContact O-N 2.81Å; Q568-T571 PolarHBondContact O-N 2.99Å; Q568-K572 WeakPolarHBondContact O-CB 3.5Å; Q568-K572 PolarHBondContact O-N 3.42Å |
| 569 | V | 98.6 | Very high | 98.3 | Very high | 83 Ų | 83 | 98 Ų | 98 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -44 | 178.6 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | V565 A566 T573 | V565-V569 WeakPolarHBondContact O-CG2 3.36Å; V565-V569 PolarHBondContact O-N 2.91Å; A566-V569 PolarHBondContact O-N 3.48Å; V569-T573 VanDerWaalsContact O-CB 3.32Å; V569-T573 WeakPolarHBondContact O-CB 3.39Å; V569-T573 PolarHBondContact O-N 2.85Å; V569-T573 PolarHBondContact O-OG1 3.28Å |
| 570 | V | 98.5 | Very high | 98.3 | Very high | 99 Ų | 99 | 99.7 Ų | 99.7 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -47.2 | 176 | 170 | 0 | 0 | 0 | 0 | 110.8 | A566 T567 T573 Q574 | A566-V570 WeakPolarHBondContact O-CB 3.28Å; A566-V570 WeakPolarHBondContact O-CG2 3.21Å; A566-V570 PolarHBondContact O-N 3.45Å; T567-V570 PolarHBondContact O-N 2.99Å; V570-T573 WeakPolarHBondContact O-CB 3.42Å; V570-T573 PolarHBondContact O-N 3.05Å; V570-Q574 PolarHBondContact O-N 2.91Å |
| 571 | T | 98.3 | Very high | 98.4 | Very high | 78 Ų | 78 | 100.3 Ų | 100.3 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -50.1 | 178.9 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | T567 Q568 T573 Q574 T575 | T567-T571 WeakPolarHBondContact O-CB 3.3Å; T567-T571 PolarHBondContact O-N 3.29Å; T567-T571 PolarHBondContact O-OG1 3.43Å; Q568-T571 PolarHBondContact O-N 2.99Å; T571-T573 VanDerWaalsContact C-N 3.27Å; T571-T573 PolarHBondContact O-N 3.39Å; T571-Q574 PolarHBondContact O-N 3.25Å; T571-Q574 VanDerWaalsContact O-N 3.16Å; T571-T575 PolarHBondContact O-N 3.1Å; T571-T575 PolarHBondContact O-OG1 2.93Å; T571-T575 VanDerWaalsContact O-OG1 3.07Å |
| 572 | K | 98.5 | Very high | 98.3 | Very high | 145 Ų | 145 | 103.2 Ų | 103.2 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.1 | -37.7 | 177.8 | -172.8 | 171.1 | -176.4 | 172.5 | 0 | 112.1 | Q568 M576 | Q568-K572 WeakPolarHBondContact O-CB 3.5Å; Q568-K572 PolarHBondContact O-N 3.42Å; K572-M576 PolarHBondContact O-N 3.37Å |
| 573 | T | 98.6 | Very high | 98.2 | Very high | 79 Ų | 79 | 102 Ų | 102 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -47.6 | 174.6 | -58.1 | 0 | 0 | 0 | 0 | 111.2 | V569 V570 T571 T575 M576 V577 | V569-T573 VanDerWaalsContact O-CB 3.32Å; V569-T573 WeakPolarHBondContact O-CB 3.39Å; V569-T573 PolarHBondContact O-N 2.85Å; V569-T573 PolarHBondContact O-OG1 3.28Å; V570-T573 WeakPolarHBondContact O-CB 3.42Å; V570-T573 PolarHBondContact O-N 3.05Å; T571-T573 VanDerWaalsContact C-N 3.27Å; T571-T573 PolarHBondContact O-N 3.39Å; T573-T575 VanDerWaalsContact C-N 3.33Å; T573-T575 PolarHBondContact O-N 2.93Å; T573-M576 WeakPolarHBondContact O-CB 3.39Å; T573-M576 PolarHBondContact O-N 3.14Å; T573-M576 VanDerWaalsContact O-N 3.16Å; T573-V577 WeakPolarHBondContact O-CG2 3.28Å; T573-V577 PolarHBondContact O-N 2.96Å |
| 574 | Q | 98.5 | Very high | 98.1 | Very high | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -39.9 | 177.2 | -175.1 | 64.5 | 31 | 0 | 0 | 111.8 | V570 T571 V577 N578 | V570-Q574 PolarHBondContact O-N 2.91Å; T571-Q574 PolarHBondContact O-N 3.25Å; T571-Q574 VanDerWaalsContact O-N 3.16Å; Q574-V577 PolarHBondContact O-N 3.18Å; Q574-N578 PolarHBondContact NE2-OD1 3.42Å; Q574-N578 VanDerWaalsContact O-CB 3.28Å; Q574-N578 WeakPolarHBondContact O-CB 3.48Å; Q574-N578 VanDerWaalsContact O-CG 3.26Å; Q574-N578 PolarHBondContact O-N 3.22Å |
| 575 | T | 98.5 | Very high | 98 | Very high | 68 Ų | 68 | 100.2 Ų | 100.2 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 172.8 | -57.1 | 0 | 0 | 0 | 0 | 111.7 | T571 T573 N578 K579 | T571-T575 PolarHBondContact O-N 3.1Å; T571-T575 PolarHBondContact O-OG1 2.93Å; T571-T575 VanDerWaalsContact O-OG1 3.07Å; T573-T575 VanDerWaalsContact C-N 3.33Å; T573-T575 PolarHBondContact O-N 2.93Å; T575-N578 PolarHBondContact O-N 2.87Å; T575-K579 WeakPolarHBondContact O-CG 3.49Å; T575-K579 PolarHBondContact O-N 3.16Å |
| 576 | M | 98.6 | Very high | 97.8 | Very high | 125 Ų | 125 | 98.8 Ų | 98.8 | 62% | 0.616 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.9 | -48.8 | 175.2 | -91.6 | -66.4 | -66.5 | 0 | 0 | 112.3 | K572 T573 N578 K579 Y580 | K572-M576 PolarHBondContact O-N 3.37Å; T573-M576 WeakPolarHBondContact O-CB 3.39Å; T573-M576 PolarHBondContact O-N 3.14Å; T573-M576 VanDerWaalsContact O-N 3.16Å; M576-N578 VanDerWaalsContact C-N 3.33Å; M576-N578 PolarHBondContact O-N 3.23Å; M576-K579 PolarHBondContact O-N 2.88Å; M576-Y580 PolarHBondContact O-N 2.9Å |
| 577 | V | 98.4 | Very high | 97.4 | Very high | 55 Ų | 55 | 102.1 Ų | 102.1 | 33% | 0.333 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -34.6 | 179.7 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | T573 Q574 Y580 R581 | T573-V577 WeakPolarHBondContact O-CG2 3.28Å; T573-V577 PolarHBondContact O-N 2.96Å; Q574-V577 PolarHBondContact O-N 3.18Å; V577-Y580 PolarHBondContact O-N 3.42Å; V577-R581 VanDerWaalsContact CG1-CZ 3.45Å; V577-R581 VanDerWaalsContact O-CG 3.3Å; V577-R581 WeakPolarHBondContact O-CG 3.35Å; V577-R581 PolarHBondContact O-N 3.14Å |
| 578 | N | 98.3 | Very high | 97 | Very high | 78 Ų | 78 | 103.1 Ų | 103.1 | 42% | 0.417 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -38.9 | 173.3 | -77.3 | -4 | 0 | 0 | 0 | 112.5 | Q574 T575 M576 R581 R582 | Q574-N578 PolarHBondContact NE2-OD1 3.42Å; Q574-N578 VanDerWaalsContact O-CB 3.28Å; Q574-N578 WeakPolarHBondContact O-CB 3.48Å; Q574-N578 VanDerWaalsContact O-CG 3.26Å; Q574-N578 PolarHBondContact O-N 3.22Å; T575-N578 PolarHBondContact O-N 2.87Å; M576-N578 VanDerWaalsContact C-N 3.33Å; M576-N578 PolarHBondContact O-N 3.23Å; N578-R581 PolarHBondContact O-N 3.48Å; N578-R581 PolarHBondContact OD1-NH1 3.24Å; N578-R582 PolarHBondContact O-N 3.49Å |
| 579 | K | 98.2 | Very high | 96.7 | Very high | 136 Ų | 136 | 104 Ų | 104 | 59% | 0.591 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 171.1 | -76 | -178.2 | 177.3 | -172.1 | 0 | 111.2 | T575 M576 R582 L583 | T575-K579 WeakPolarHBondContact O-CG 3.49Å; T575-K579 PolarHBondContact O-N 3.16Å; M576-K579 PolarHBondContact O-N 2.88Å; K579-R582 PolarHBondContact O-N 2.96Å; K579-L583 WeakPolarHBondContact O-CG 3.37Å; K579-L583 PolarHBondContact O-N 3.13Å |
| 580 | Y | 98.2 | Very high | 96.3 | Very high | 142 Ų | 142 | 104.7 Ų | 104.7 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.2 | -45.3 | 175.5 | 179.5 | -108.6 | 0 | 0 | 0 | 112.6 | M576 V577 R582 L583 L584 | M576-Y580 PolarHBondContact O-N 2.9Å; V577-Y580 PolarHBondContact O-N 3.42Å; Y580-R582 VanDerWaalsContact C-N 3.33Å; Y580-R582 PolarHBondContact O-N 3.44Å; Y580-L583 PolarHBondContact O-N 3.14Å; Y580-L584 HydrophobicContact CD1-CD1 4.06Å; Y580-L584 HydrophobicContact CD1-CG 4.48Å; Y580-L584 HydrophobicContact CE1-CD1 3.45Å; Y580-L584 VanDerWaalsContact CE1-CD1 3.45Å; Y580-L584 HydrophobicContact CE1-CG 4.07Å; Y580-L584 HydrophobicContact CE2-CD1 4.44Å; Y580-L584 HydrophobicContact CE2-CD2 4.3Å; Y580-L584 HydrophobicContact CE2-CG 4.22Å; Y580-L584 PolarHBondContact O-N 2.94Å |
| 581 | R | 98.1 | Very high | 95.8 | Very high | 120 Ų | 120 | 106.2 Ų | 106.2 | 45% | 0.453 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -56.3 | -44.4 | 173.2 | -73.8 | 170.5 | -178.5 | 127 | 3.3 | 111.9 | V577 N578 L584 M585 | V577-R581 VanDerWaalsContact CG1-CZ 3.45Å; V577-R581 VanDerWaalsContact O-CG 3.3Å; V577-R581 WeakPolarHBondContact O-CG 3.35Å; V577-R581 PolarHBondContact O-N 3.14Å; N578-R581 PolarHBondContact O-N 3.48Å; N578-R581 PolarHBondContact OD1-NH1 3.24Å; R581-L584 PolarHBondContact O-N 3.3Å; R581-M585 WeakPolarHBondContact O-CG 3.38Å; R581-M585 PolarHBondContact O-N 3.28Å; R581-M585 VanDerWaalsContact O-N 3.1Å |
| 582 | R | 97.1 | Very high | 95.3 | Very high | 167 Ų | 167 | 105.1 Ų | 105.1 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 176.9 | -170.8 | 179.6 | -177.8 | -82.6 | 1.3 | 112.2 | N578 K579 Y580 M585 V586 | N578-R582 PolarHBondContact O-N 3.49Å; K579-R582 PolarHBondContact O-N 2.96Å; Y580-R582 VanDerWaalsContact C-N 3.33Å; Y580-R582 PolarHBondContact O-N 3.44Å; R582-M585 PolarHBondContact O-N 3.13Å; R582-V586 HydrophobicContact CG-CG2 4.49Å; R582-V586 WeakPolarHBondContact O-CG2 3.26Å; R582-V586 PolarHBondContact O-N 3.34Å |
| 583 | L | 96.6 | Very high | 94.9 | Very high | 114 Ų | 114 | 102.5 Ų | 102.5 | 60% | 0.597 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | 176.4 | -71.7 | 168.2 | 0 | 0 | 0 | 111.8 | K579 Y580 M585 V586 E587 | K579-L583 WeakPolarHBondContact O-CG 3.37Å; K579-L583 PolarHBondContact O-N 3.13Å; Y580-L583 PolarHBondContact O-N 3.14Å; L583-M585 PolarHBondContact O-N 3.34Å; L583-V586 PolarHBondContact O-N 3.35Å; L583-E587 PolarHBondContact O-N 3.48Å |
| 584 | L | 95.1 | Very high | 94.6 | Very high | 89 Ų | 89 | 100 Ų | 100 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 174.3 | -73.5 | -177.9 | 0 | 0 | 0 | 113.1 | Y580 R581 A588 | Y580-L584 HydrophobicContact CD1-CD1 4.06Å; Y580-L584 HydrophobicContact CD1-CG 4.48Å; Y580-L584 HydrophobicContact CE1-CD1 3.45Å; Y580-L584 VanDerWaalsContact CE1-CD1 3.45Å; Y580-L584 HydrophobicContact CE1-CG 4.07Å; Y580-L584 HydrophobicContact CE2-CD1 4.44Å; Y580-L584 HydrophobicContact CE2-CD2 4.3Å; Y580-L584 HydrophobicContact CE2-CG 4.22Å; Y580-L584 PolarHBondContact O-N 2.94Å; R581-L584 PolarHBondContact O-N 3.3Å; L584-A588 WeakPolarHBondContact O-CB 3.35Å; L584-A588 PolarHBondContact O-N 3.22Å |
| 585 | M | 95.5 | Very high | 94.2 | Very high | 111 Ų | 111 | 100.5 Ų | 100.5 | 55% | 0.547 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 175.8 | -67.8 | -177.1 | -59.9 | 0 | 0 | 111.3 | R581 R582 L583 E587 A588 E589 | R581-M585 WeakPolarHBondContact O-CG 3.38Å; R581-M585 PolarHBondContact O-N 3.28Å; R581-M585 VanDerWaalsContact O-N 3.1Å; R582-M585 PolarHBondContact O-N 3.13Å; L583-M585 PolarHBondContact O-N 3.34Å; M585-E587 PolarHBondContact O-N 3.44Å; M585-A588 PolarHBondContact O-N 3Å; M585-E589 WeakPolarHBondContact O-CG 3.42Å; M585-E589 PolarHBondContact O-N 3.46Å |
| 586 | V | 94.6 | Very high | 93.9 | Very high | 63 Ų | 63 | 103.2 Ų | 103.2 | 38% | 0.382 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 177.6 | 172.3 | 0 | 0 | 0 | 0 | 112.5 | R582 L583 E589 R590 | R582-V586 HydrophobicContact CG-CG2 4.49Å; R582-V586 WeakPolarHBondContact O-CG2 3.26Å; R582-V586 PolarHBondContact O-N 3.34Å; L583-V586 PolarHBondContact O-N 3.35Å; V586-E589 PolarHBondContact O-N 3.49Å; V586-R590 PolarHBondContact O-N 2.96Å |
| 587 | E | 90.7 | Very high | 93.6 | Very high | 98 Ų | 98 | 103 Ų | 103 | 46% | 0.458 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71.6 | -36.6 | 173.3 | -168.3 | 64.8 | -142.3 | 0 | 0 | 111.6 | L583 M585 E589 R590 | L583-E587 PolarHBondContact O-N 3.48Å; M585-E587 PolarHBondContact O-N 3.44Å; E587-E589 PolarHBondContact O-N 3.36Å; E587-R590 VanDerWaalsContact CD-CD 3.48Å; E587-R590 WeakPolarHBondContact O-CB 3.41Å; E587-R590 PolarHBondContact O-N 2.9Å; E587-R590 VanDerWaalsContact O-N 3.14Å; E587-R590 WeakPolarHBondContact OE1-CD 3.2Å; E587-R590 IonicContact OE1-CZ 2.85Å; E587-R590 IonicContact OE1-NE 2.8Å; E587-R590 PolarHBondContact OE1-NE 2.89Å; E587-R590 VanDerWaalsContact OE2-CD 3.26Å; E587-R590 WeakPolarHBondContact OE2-CD 3.32Å; E587-R590 IonicContact OE2-NE 2.71Å |
| 588 | A | 89.4 | Confident | 93.5 | Very high | 89 Ų | 89 | 103.6 Ų | 103.6 | 74% | 0.736 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.2 | -24.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L584 M585 | L584-A588 WeakPolarHBondContact O-CB 3.35Å; L584-A588 PolarHBondContact O-N 3.22Å; M585-A588 PolarHBondContact O-N 3Å |
| 589 | E | 92.9 | Very high | 93.5 | Very high | 151 Ų | 151 | 105 Ų | 105 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -5.3 | 174.4 | -73.4 | 169.3 | -169.6 | 0 | 0 | 113.5 | M585 V586 E587 S591 | M585-E589 WeakPolarHBondContact O-CG 3.42Å; M585-E589 PolarHBondContact O-N 3.46Å; V586-E589 PolarHBondContact O-N 3.49Å; E587-E589 PolarHBondContact O-N 3.36Å; E589-S591 PolarHBondContact O-N 2.97Å; E589-S591 VanDerWaalsContact O-N 3.13Å |
| 590 | R | 90.3 | Very high | 93.4 | Very high | 96 Ų | 96 | 102.8 Ų | 102.8 | 36% | 0.362 | 54% | 0.537 | S | S | . | . | | | trans | -71.8 | 108.8 | 179.9 | -84.7 | 173.1 | 42.8 | 66 | 8.2 | 112.4 | V586 E587 S592 P593 S594 | V586-R590 PolarHBondContact O-N 2.96Å; E587-R590 VanDerWaalsContact CD-CD 3.48Å; E587-R590 WeakPolarHBondContact O-CB 3.41Å; E587-R590 PolarHBondContact O-N 2.9Å; E587-R590 VanDerWaalsContact O-N 3.14Å; E587-R590 WeakPolarHBondContact OE1-CD 3.2Å; E587-R590 IonicContact OE1-CZ 2.85Å; E587-R590 IonicContact OE1-NE 2.8Å; E587-R590 PolarHBondContact OE1-NE 2.89Å; E587-R590 VanDerWaalsContact OE2-CD 3.26Å; E587-R590 WeakPolarHBondContact OE2-CD 3.32Å; E587-R590 IonicContact OE2-NE 2.71Å; R590-S592 VanDerWaalsContact C-N 3.29Å; R590-S592 PolarHBondContact NH1-OG 2.95Å; R590-S592 PolarHBondContact NH2-O 3.12Å; R590-S592 PolarHBondContact NH2-OG 3.45Å; R590-S592 PolarHBondContact O-N 3.36Å; R590-P593 PolarHBondContact NH2-O 3.44Å; R590-P593 VanDerWaalsContact NH2-O 3.12Å; R590-S594 VanDerWaalsContact NH2-CA 3.26Å; R590-S594 VanDerWaalsContact NH2-N 3.19Å |
| 591 | S | 86.5 | Confident | 93.3 | Very high | 131 Ų | 131 | 100.4 Ų | 100.4 | 92% | 0.916 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -70.1 | -18.9 | 173.6 | 57.1 | 0 | 0 | 0 | 0 | 114.6 | E589 | E589-S591 PolarHBondContact O-N 2.97Å; E589-S591 VanDerWaalsContact O-N 3.13Å |
| 592 | S | 89.6 | Confident | 93.3 | Very high | 56 Ų | 56 | 103.7 Ų | 103.7 | 39% | 0.392 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -98.8 | 140.5 | 173.1 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | R590 | R590-S592 VanDerWaalsContact C-N 3.29Å; R590-S592 PolarHBondContact NH1-OG 2.95Å; R590-S592 PolarHBondContact NH2-O 3.12Å; R590-S592 PolarHBondContact NH2-OG 3.45Å; R590-S592 PolarHBondContact O-N 3.36Å |
| 593 | P | 89.4 | Confident | 93.3 | Very high | 89 Ų | 89 | 99.4 Ų | 99.4 | 58% | 0.578 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 144.6 | 174.1 | 29.6 | -35.7 | 0 | 0 | 0 | 111.2 | R590 M597 V598 | R590-P593 PolarHBondContact NH2-O 3.44Å; R590-P593 VanDerWaalsContact NH2-O 3.12Å; P593-M597 HydrophobicContact CB-CB 4.38Å; P593-M597 HydrophobicContact CB-CG 4.33Å; P593-V598 HydrophobicContact CB-CG2 3.87Å; P593-V598 HydrophobicContact CG-CG2 3.8Å |
| 594 | S | 91.6 | Very high | 93.3 | Very high | 28 Ų | 28 | 98.9 Ų | 98.9 | 20% | 0.196 | 53% | 0.532 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 152.9 | 172.3 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | R590 E596 M597 V598 | R590-S594 VanDerWaalsContact NH2-CA 3.26Å; R590-S594 VanDerWaalsContact NH2-N 3.19Å; S594-E596 PolarHBondContact O-N 3.44Å; S594-E596 PolarHBondContact OG-N 2.98Å; S594-M597 WeakPolarHBondContact O-CB 3.32Å; S594-M597 PolarHBondContact O-N 3.04Å; S594-V598 WeakPolarHBondContact O-CG2 3.39Å; S594-V598 PolarHBondContact O-N 3.36Å |
| 595 | S | 90.8 | Very high | 93.4 | Very high | 105 Ų | 105 | 98 Ų | 98 | 73% | 0.734 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -58.9 | -32.5 | 171.4 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | M599 | S595-M599 WeakPolarHBondContact O-CB 3.46Å; S595-M599 PolarHBondContact O-N 3.03Å |
| 596 | E | 91.4 | Very high | 93.5 | Very high | 125 Ų | 125 | 98.3 Ų | 98.3 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -50.1 | 169.3 | -178.9 | 175.1 | -166.3 | 0 | 0 | 111.4 | S594 V598 M599 I600 | S594-E596 PolarHBondContact O-N 3.44Å; S594-E596 PolarHBondContact OG-N 2.98Å; E596-V598 PolarHBondContact O-N 3.42Å; E596-M599 PolarHBondContact O-N 3.3Å; E596-M599 VanDerWaalsContact O-N 3.12Å; E596-I600 HydrophobicContact CG-CD1 3.78Å; E596-I600 HydrophobicContact CG-CG1 4.43Å; E596-I600 WeakPolarHBondContact O-CG1 3.22Å; E596-I600 PolarHBondContact O-N 2.97Å |
| 597 | M | 93.6 | Very high | 93.6 | Very high | 121 Ų | 121 | 101.5 Ų | 101.5 | 60% | 0.596 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -58.5 | -44.3 | 178.8 | -171.7 | 70.9 | -178 | 0 | 0 | 112 | P593 S594 I600 D601 | P593-M597 HydrophobicContact CB-CB 4.38Å; P593-M597 HydrophobicContact CB-CG 4.33Å; S594-M597 WeakPolarHBondContact O-CB 3.32Å; S594-M597 PolarHBondContact O-N 3.04Å; M597-I600 PolarHBondContact O-N 3.5Å; M597-D601 WeakPolarHBondContact O-CB 3.5Å; M597-D601 PolarHBondContact O-N 2.95Å |
| 598 | V | 95.9 | Very high | 93.9 | Very high | 67 Ų | 67 | 101.4 Ų | 101.4 | 41% | 0.406 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.1 | -34.9 | 177 | 177.6 | 0 | 0 | 0 | 0 | 111.7 | P593 S594 E596 R602 | P593-V598 HydrophobicContact CB-CG2 3.87Å; P593-V598 HydrophobicContact CG-CG2 3.8Å; S594-V598 WeakPolarHBondContact O-CG2 3.39Å; S594-V598 PolarHBondContact O-N 3.36Å; E596-V598 PolarHBondContact O-N 3.42Å; V598-R602 VanDerWaalsContact O-CB 3.22Å; V598-R602 WeakPolarHBondContact O-CB 3.17Å; V598-R602 PolarHBondContact O-N 2.93Å |
| 599 | M | 97.2 | Very high | 94.3 | Very high | 108 Ų | 108 | 105.4 Ų | 105.4 | 53% | 0.532 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.6 | -40.1 | 177 | -179.8 | -87.1 | -66.9 | 0 | 0 | 111.8 | S595 E596 T603 | S595-M599 WeakPolarHBondContact O-CB 3.46Å; S595-M599 PolarHBondContact O-N 3.03Å; E596-M599 PolarHBondContact O-N 3.3Å; E596-M599 VanDerWaalsContact O-N 3.12Å; M599-T603 VanDerWaalsContact O-CB 3.28Å; M599-T603 WeakPolarHBondContact O-CB 3.39Å; M599-T603 PolarHBondContact O-N 2.82Å; M599-T603 PolarHBondContact O-OG1 3.26Å |
| 600 | I | 96.4 | Very high | 94.5 | Very high | 89 Ų | 89 | 101.2 Ų | 101.2 | 46% | 0.456 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -51.6 | 172.4 | -69.2 | 168.7 | 0 | 0 | 0 | 110.1 | E596 M597 R602 T603 F604 | E596-I600 HydrophobicContact CG-CD1 3.78Å; E596-I600 HydrophobicContact CG-CG1 4.43Å; E596-I600 WeakPolarHBondContact O-CG1 3.22Å; E596-I600 PolarHBondContact O-N 2.97Å; M597-I600 PolarHBondContact O-N 3.5Å; I600-R602 PolarHBondContact O-N 2.98Å; I600-T603 PolarHBondContact O-N 3.43Å; I600-F604 WeakPolarHBondContact O-CB 3.36Å; I600-F604 PolarHBondContact O-N 3.09Å |
| 601 | D | 97 | Very high | 94.7 | Very high | 92 Ų | 92 | 100.1 Ų | 100.1 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 179 | 177 | 71.9 | 0 | 0 | 0 | 112 | M597 T603 F604 N605 | M597-D601 WeakPolarHBondContact O-CB 3.5Å; M597-D601 PolarHBondContact O-N 2.95Å; D601-T603 VanDerWaalsContact C-N 3.33Å; D601-T603 PolarHBondContact O-N 3.47Å; D601-F604 PolarHBondContact O-N 3.5Å; D601-N605 WeakPolarHBondContact O-CB 3.43Å; D601-N605 PolarHBondContact O-N 3.12Å; D601-N605 PolarHBondContact O-ND2 3.5Å; D601-N605 PolarHBondContact OD1-ND2 2.94Å |
| 602 | R | 97.1 | Very high | 95.2 | Very high | 188 Ų | 188 | 99.6 Ų | 99.6 | 71% | 0.709 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.3 | -42.7 | 175 | 171.3 | 174 | -87.6 | 160.4 | -7.9 | 112 | V598 I600 Q606 | V598-R602 VanDerWaalsContact O-CB 3.22Å; V598-R602 WeakPolarHBondContact O-CB 3.17Å; V598-R602 PolarHBondContact O-N 2.93Å; I600-R602 PolarHBondContact O-N 2.98Å; R602-Q606 WeakPolarHBondContact O-CB 3.47Å; R602-Q606 PolarHBondContact O-N 3.39Å |
| 603 | T | 97.1 | Very high | 95.4 | Very high | 77 Ų | 77 | 100.8 Ų | 100.8 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.3 | -46.3 | -178.2 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | M599 I600 D601 Q606 E607 | M599-T603 VanDerWaalsContact O-CB 3.28Å; M599-T603 WeakPolarHBondContact O-CB 3.39Å; M599-T603 PolarHBondContact O-N 2.82Å; M599-T603 PolarHBondContact O-OG1 3.26Å; I600-T603 PolarHBondContact O-N 3.43Å; D601-T603 VanDerWaalsContact C-N 3.33Å; D601-T603 PolarHBondContact O-N 3.47Å; T603-Q606 PolarHBondContact O-N 3.5Å; T603-E607 WeakPolarHBondContact O-CB 3.21Å; T603-E607 PolarHBondContact O-N 3.01Å |
| 604 | F | 97.9 | Very high | 95.6 | Very high | 104 Ų | 104 | 100.6 Ų | 100.6 | 46% | 0.456 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.4 | -50.4 | 176 | 176.1 | -104.1 | 0 | 0 | 0 | 111.9 | I600 D601 Q606 E607 E608 | I600-F604 WeakPolarHBondContact O-CB 3.36Å; I600-F604 PolarHBondContact O-N 3.09Å; D601-F604 PolarHBondContact O-N 3.5Å; F604-Q606 PolarHBondContact O-N 3.45Å; F604-E607 PolarHBondContact O-N 3.42Å; F604-E608 HydrophobicContact CD1-CG 4.44Å; F604-E608 HydrophobicContact CD2-CG 4.27Å; F604-E608 HydrophobicContact CE1-CG 3.98Å; F604-E608 HydrophobicContact CE2-CG 3.79Å; F604-E608 HydrophobicContact CZ-CG 3.63Å; F604-E608 WeakPolarHBondContact O-CB 3.28Å; F604-E608 WeakPolarHBondContact O-CG 3.36Å; F604-E608 PolarHBondContact O-N 3.01Å |
| 605 | N | 97.4 | Very high | 95.6 | Very high | 71 Ų | 71 | 101.4 Ų | 101.4 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -30.9 | 176.6 | -80.2 | -89.9 | 0 | 0 | 0 | 112.5 | D601 R609 | D601-N605 WeakPolarHBondContact O-CB 3.43Å; D601-N605 PolarHBondContact O-N 3.12Å; D601-N605 PolarHBondContact O-ND2 3.5Å; D601-N605 PolarHBondContact OD1-ND2 2.94Å; N605-R609 VanDerWaalsContact O-CB 3.23Å; N605-R609 WeakPolarHBondContact O-CB 3.33Å; N605-R609 WeakPolarHBondContact O-CD 3.32Å; N605-R609 WeakPolarHBondContact O-CG 3.39Å; N605-R609 PolarHBondContact O-N 3.4Å; N605-R609 VanDerWaalsContact O-N 3.11Å |
| 606 | Q | 97.4 | Very high | 95.8 | Very high | 116 Ų | 116 | 103 Ų | 103 | 54% | 0.542 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -75.9 | -36.1 | 176 | -176.8 | 55.7 | 85.3 | 0 | 0 | 112.2 | R602 T603 F604 S610 | R602-Q606 WeakPolarHBondContact O-CB 3.47Å; R602-Q606 PolarHBondContact O-N 3.39Å; T603-Q606 PolarHBondContact O-N 3.5Å; F604-Q606 PolarHBondContact O-N 3.45Å; Q606-S610 VanDerWaalsContact O-CB 3.3Å; Q606-S610 WeakPolarHBondContact O-CB 3.1Å; Q606-S610 PolarHBondContact O-N 3.34Å |
| 607 | E | 96.8 | Very high | 95.9 | Very high | 130 Ų | 130 | 103.7 Ų | 103.7 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.1 | -53 | 173.1 | -175.7 | 164.2 | -135.5 | 0 | 0 | 110.7 | T603 F604 R609 S610 N611 | T603-E607 WeakPolarHBondContact O-CB 3.21Å; T603-E607 PolarHBondContact O-N 3.01Å; F604-E607 PolarHBondContact O-N 3.42Å; E607-R609 VanDerWaalsContact C-N 3.33Å; E607-R609 PolarHBondContact O-N 3.45Å; E607-S610 CarbonylContact O-C 3.13Å; E607-S610 WeakPolarHBondContact O-CA 3.47Å; E607-S610 VanDerWaalsContact O-CB 3.31Å; E607-S610 WeakPolarHBondContact O-CB 3.48Å; E607-S610 PolarHBondContact O-N 2.69Å; E607-N611 WeakPolarHBondContact O-CB 3.25Å; E607-N611 PolarHBondContact O-N 2.94Å |
| 608 | E | 97 | Very high | 95.7 | Very high | 96 Ų | 96 | 100.9 Ų | 100.9 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.8 | -42.8 | 176.9 | -75.2 | -68 | 101.3 | 0 | 0 | 112.4 | F604 S610 N611 L612 | F604-E608 HydrophobicContact CD1-CG 4.44Å; F604-E608 HydrophobicContact CD2-CG 4.27Å; F604-E608 HydrophobicContact CE1-CG 3.98Å; F604-E608 HydrophobicContact CE2-CG 3.79Å; F604-E608 HydrophobicContact CZ-CG 3.63Å; F604-E608 WeakPolarHBondContact O-CB 3.28Å; F604-E608 WeakPolarHBondContact O-CG 3.36Å; F604-E608 PolarHBondContact O-N 3.01Å; E608-S610 VanDerWaalsContact C-N 3.33Å; E608-S610 PolarHBondContact O-N 3.4Å; E608-N611 PolarHBondContact O-N 3.46Å; E608-L612 VanDerWaalsContact O-CB 3.31Å; E608-L612 WeakPolarHBondContact O-CB 3.23Å; E608-L612 PolarHBondContact O-N 3.02Å |
| 609 | R | 97.4 | Very high | 95.4 | Very high | 173 Ų | 173 | 100.8 Ų | 100.8 | 65% | 0.653 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.4 | -32.4 | 175.1 | -74.6 | 171.9 | 64.7 | 175.4 | -0.8 | 112.8 | N605 E607 T613 | N605-R609 VanDerWaalsContact O-CB 3.23Å; N605-R609 WeakPolarHBondContact O-CB 3.33Å; N605-R609 WeakPolarHBondContact O-CD 3.32Å; N605-R609 WeakPolarHBondContact O-CG 3.39Å; N605-R609 PolarHBondContact O-N 3.4Å; N605-R609 VanDerWaalsContact O-N 3.11Å; E607-R609 VanDerWaalsContact C-N 3.33Å; E607-R609 PolarHBondContact O-N 3.45Å; R609-T613 VanDerWaalsContact O-CB 3.25Å; R609-T613 WeakPolarHBondContact O-CB 3.47Å; R609-T613 PolarHBondContact O-N 2.83Å; R609-T613 PolarHBondContact O-OG1 3.11Å |
| 610 | S | 96.4 | Very high | 95.1 | Very high | 64 Ų | 64 | 102 Ų | 102 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.4 | -45.8 | 173.8 | -172.7 | 0 | 0 | 0 | 0 | 110.6 | Q606 E607 E608 T613 Q614 | Q606-S610 VanDerWaalsContact O-CB 3.3Å; Q606-S610 WeakPolarHBondContact O-CB 3.1Å; Q606-S610 PolarHBondContact O-N 3.34Å; E607-S610 CarbonylContact O-C 3.13Å; E607-S610 WeakPolarHBondContact O-CA 3.47Å; E607-S610 VanDerWaalsContact O-CB 3.31Å; E607-S610 WeakPolarHBondContact O-CB 3.48Å; E607-S610 PolarHBondContact O-N 2.69Å; E608-S610 VanDerWaalsContact C-N 3.33Å; E608-S610 PolarHBondContact O-N 3.4Å; S610-T613 CarbonylContact O-C 3.56Å; S610-T613 WeakPolarHBondContact O-CA 3.3Å; S610-T613 WeakPolarHBondContact O-CB 3.41Å; S610-T613 PolarHBondContact O-N 2.82Å; S610-T613 VanDerWaalsContact O-N 3.15Å; S610-Q614 PolarHBondContact O-N 3.18Å |
| 611 | N | 95.4 | Very high | 94.8 | Very high | 73 Ų | 73 | 103.8 Ų | 103.8 | 39% | 0.39 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -51.4 | -179.1 | -156.5 | 28.1 | 0 | 0 | 0 | 111.1 | E607 E608 T613 Q614 D615 | E607-N611 WeakPolarHBondContact O-CB 3.25Å; E607-N611 PolarHBondContact O-N 2.94Å; E608-N611 PolarHBondContact O-N 3.46Å; N611-T613 PolarHBondContact O-N 3.28Å; N611-T613 VanDerWaalsContact O-N 3.11Å; N611-Q614 CarbonylContact O-C 3.47Å; N611-Q614 WeakPolarHBondContact O-CA 3.44Å; N611-Q614 VanDerWaalsContact O-CB 3.3Å; N611-Q614 WeakPolarHBondContact O-CB 3.31Å; N611-Q614 PolarHBondContact O-N 2.9Å; N611-D615 PolarHBondContact O-N 3.25Å |
| 612 | L | 95.5 | Very high | 94.3 | Very high | 120 Ų | 120 | 102.9 Ų | 102.9 | 63% | 0.628 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59 | -28.8 | 173.4 | -176.7 | 61.9 | 0 | 0 | 0 | 113 | E608 K616 | E608-L612 VanDerWaalsContact O-CB 3.31Å; E608-L612 WeakPolarHBondContact O-CB 3.23Å; E608-L612 PolarHBondContact O-N 3.02Å; L612-K616 WeakPolarHBondContact O-CB 3.31Å; L612-K616 PolarHBondContact O-N 2.91Å |
| 613 | T | 95.3 | Very high | 93.8 | Very high | 80 Ų | 80 | 97 Ų | 97 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -79.3 | -24.6 | 173.5 | -59.1 | 0 | 0 | 0 | 0 | 112.5 | R609 S610 N611 R617 | R609-T613 VanDerWaalsContact O-CB 3.25Å; R609-T613 WeakPolarHBondContact O-CB 3.47Å; R609-T613 PolarHBondContact O-N 2.83Å; R609-T613 PolarHBondContact O-OG1 3.11Å; S610-T613 CarbonylContact O-C 3.56Å; S610-T613 WeakPolarHBondContact O-CA 3.3Å; S610-T613 WeakPolarHBondContact O-CB 3.41Å; S610-T613 PolarHBondContact O-N 2.82Å; S610-T613 VanDerWaalsContact O-N 3.15Å; N611-T613 PolarHBondContact O-N 3.28Å; N611-T613 VanDerWaalsContact O-N 3.11Å; T613-R617 WeakPolarHBondContact O-CG 3.3Å; T613-R617 PolarHBondContact O-N 3.18Å; T613-R617 PolarHBondContact O-NE 3.39Å |
| 614 | Q | 92.8 | Very high | 93.1 | Very high | 86 Ų | 86 | 99.3 Ų | 99.3 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74 | -54.2 | 168.1 | -180 | 167.9 | -60.5 | 0 | 0 | 110.6 | S610 N611 K616 R617 M618 | S610-Q614 PolarHBondContact O-N 3.18Å; N611-Q614 CarbonylContact O-C 3.47Å; N611-Q614 WeakPolarHBondContact O-CA 3.44Å; N611-Q614 VanDerWaalsContact O-CB 3.3Å; N611-Q614 WeakPolarHBondContact O-CB 3.31Å; N611-Q614 PolarHBondContact O-N 2.9Å; Q614-K616 VanDerWaalsContact C-N 3.31Å; Q614-K616 PolarHBondContact O-N 2.87Å; Q614-R617 CarbonylContact O-C 3.49Å; Q614-R617 WeakPolarHBondContact O-CA 3.45Å; Q614-R617 WeakPolarHBondContact O-CB 3.47Å; Q614-R617 PolarHBondContact O-N 3.19Å; Q614-M618 HydrophobicContact CG-CG 4.39Å; Q614-M618 PolarHBondContact O-N 2.84Å |
| 615 | D | 92.4 | Very high | 92.5 | Very high | 44 Ų | 44 | 95.2 Ų | 95.2 | 24% | 0.235 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -51 | -49.3 | 176.1 | -67.4 | -3.7 | 0 | 0 | 0 | 111.7 | N611 R617 M618 V619 F626 | N611-D615 PolarHBondContact O-N 3.25Å; D615-R617 PolarHBondContact O-N 3Å; D615-M618 WeakPolarHBondContact O-CB 3.32Å; D615-M618 PolarHBondContact O-N 3.33Å; D615-V619 WeakPolarHBondContact O-CG2 3.4Å; D615-V619 PolarHBondContact O-N 3.47Å; D615-F626 HydrophobicContact CB-CD2 4.42Å; D615-F626 HydrophobicContact CB-CE2 3.85Å |
| 616 | K | 94.6 | Very high | 91.8 | Very high | 140 Ų | 140 | 93.9 Ų | 93.9 | 61% | 0.609 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60 | -31 | 176.2 | -178.8 | 176.9 | 177.1 | -178.6 | 0 | 113 | L612 Q614 L620 | L612-K616 WeakPolarHBondContact O-CB 3.31Å; L612-K616 PolarHBondContact O-N 2.91Å; Q614-K616 VanDerWaalsContact C-N 3.31Å; Q614-K616 PolarHBondContact O-N 2.87Å; K616-L620 HydrophobicContact CG-CD1 4.31Å; K616-L620 WeakPolarHBondContact O-CB 3.34Å; K616-L620 VanDerWaalsContact O-CD1 3.3Å; K616-L620 WeakPolarHBondContact O-CD1 3.35Å; K616-L620 WeakPolarHBondContact O-CG 3.15Å |
| 617 | R | 93.1 | Very high | 91.2 | Very high | 139 Ų | 139 | 93.2 Ų | 93.2 | 53% | 0.525 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -77.4 | -39.7 | 173 | -75.6 | 176.6 | -68.6 | 153.4 | 2.9 | 111.3 | T613 Q614 D615 L620 V621 | T613-R617 WeakPolarHBondContact O-CG 3.3Å; T613-R617 PolarHBondContact O-N 3.18Å; T613-R617 PolarHBondContact O-NE 3.39Å; Q614-R617 CarbonylContact O-C 3.49Å; Q614-R617 WeakPolarHBondContact O-CA 3.45Å; Q614-R617 WeakPolarHBondContact O-CB 3.47Å; Q614-R617 PolarHBondContact O-N 3.19Å; D615-R617 PolarHBondContact O-N 3Å; R617-L620 PolarHBondContact O-N 2.97Å; R617-V621 WeakPolarHBondContact O-CB 3.3Å; R617-V621 VanDerWaalsContact O-CG2 3.31Å; R617-V621 WeakPolarHBondContact O-CG2 3.3Å; R617-V621 PolarHBondContact O-N 2.97Å |
| 618 | M | 88.7 | Confident | 90.4 | Very high | 61 Ų | 61 | 93.3 Ų | 93.3 | 30% | 0.3 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.5 | -54.7 | 174.4 | -65.7 | -57.3 | -66 | 0 | 0 | 110.3 | Q614 D615 L620 V621 D622 F626 | Q614-M618 HydrophobicContact CG-CG 4.39Å; Q614-M618 PolarHBondContact O-N 2.84Å; D615-M618 WeakPolarHBondContact O-CB 3.32Å; D615-M618 PolarHBondContact O-N 3.33Å; M618-L620 PolarHBondContact O-N 3.23Å; M618-V621 PolarHBondContact O-N 3.06Å; M618-D622 CarbonylContact O-C 3.52Å; M618-D622 WeakPolarHBondContact O-CA 3.34Å; M618-D622 PolarHBondContact O-N 2.67Å; M618-F626 HydrophobicContact CB-CB 4.1Å; M618-F626 HydrophobicContact CB-CD2 4.26Å |
| 619 | V | 91.3 | Very high | 89.4 | Confident | 66 Ų | 66 | 93.9 Ų | 93.9 | 40% | 0.4 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -50.8 | -33.3 | 175 | 174 | 0 | 0 | 0 | 0 | 113.7 | D615 F626 | D615-V619 WeakPolarHBondContact O-CG2 3.4Å; D615-V619 PolarHBondContact O-N 3.47Å; V619-F626 HydrophobicContact CG2-CB 4.08Å; V619-F626 HydrophobicContact CG2-CD1 3.4Å; V619-F626 VanDerWaalsContact CG2-CD1 3.4Å; V619-F626 HydrophobicContact CG2-CD2 3.72Å; V619-F626 HydrophobicContact CG2-CE1 3.68Å; V619-F626 HydrophobicContact CG2-CE2 3.98Å; V619-F626 HydrophobicContact CG2-CG 3.41Å; V619-F626 VanDerWaalsContact CG2-CG 3.41Å; V619-F626 HydrophobicContact CG2-CZ 3.96Å |
| 620 | L | 90.7 | Very high | 88.3 | Confident | 134 Ų | 134 | 93.1 Ų | 93.1 | 70% | 0.702 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -90.3 | -16.4 | -177.6 | -71.7 | 174 | 0 | 0 | 0 | 114.7 | K616 R617 M618 | K616-L620 HydrophobicContact CG-CD1 4.31Å; K616-L620 WeakPolarHBondContact O-CB 3.34Å; K616-L620 VanDerWaalsContact O-CD1 3.3Å; K616-L620 WeakPolarHBondContact O-CD1 3.35Å; K616-L620 WeakPolarHBondContact O-CG 3.15Å; R617-L620 PolarHBondContact O-N 2.97Å; M618-L620 PolarHBondContact O-N 3.23Å |
| 621 | V | 90.7 | Very high | 87.1 | Confident | 126 Ų | 126 | 93.6 Ų | 93.6 | 76% | 0.764 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -112.2 | -38.4 | -176.4 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | R617 M618 | R617-V621 WeakPolarHBondContact O-CB 3.3Å; R617-V621 VanDerWaalsContact O-CG2 3.31Å; R617-V621 WeakPolarHBondContact O-CG2 3.3Å; R617-V621 PolarHBondContact O-N 2.97Å; M618-V621 PolarHBondContact O-N 3.06Å |
| 622 | D | 86.5 | Confident | 85.6 | Confident | 72 Ų | 72 | 92.5 Ų | 92.5 | 39% | 0.385 | 48% | 0.481 | S | S | . | . | | | trans | -147.3 | 82.2 | -179.3 | -174.6 | 2 | 0 | 0 | 0 | 109.8 | M618 D624 G625 F626 | M618-D622 CarbonylContact O-C 3.52Å; M618-D622 WeakPolarHBondContact O-CA 3.34Å; M618-D622 PolarHBondContact O-N 2.67Å; D622-D624 VanDerWaalsContact C-N 3.26Å; D622-D624 PolarHBondContact O-N 3.31Å; D622-D624 PolarHBondContact OD1-N 2.79Å; D622-G625 PolarHBondContact O-N 3.37Å; D622-G625 PolarHBondContact OD1-N 2.87Å; D622-F626 PolarHBondContact O-N 2.84Å |
| 623 | P | 84.9 | Confident | 83.6 | Confident | 66 Ų | 66 | 89.6 Ų | 89.6 | 43% | 0.429 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.1 | -27.2 | -179.3 | 27.8 | -35 | 0 | 0 | 0 | 112.8 | L627 | P623-L627 WeakPolarHBondContact O-CD1 3.2Å; P623-L627 PolarHBondContact O-N 2.79Å |
| 624 | D | 83.9 | Confident | 81.4 | Confident | 125 Ų | 125 | 90.1 Ų | 90.1 | 67% | 0.668 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -75.5 | -42.6 | 178.6 | -66.5 | -38.5 | 0 | 0 | 0 | 110.4 | D622 F626 L627 E628 | D622-D624 VanDerWaalsContact C-N 3.26Å; D622-D624 PolarHBondContact O-N 3.31Å; D622-D624 PolarHBondContact OD1-N 2.79Å; D624-F626 PolarHBondContact O-N 2.75Å; D624-L627 CarbonylContact O-C 3.58Å; D624-L627 WeakPolarHBondContact O-CB 3.49Å; D624-L627 PolarHBondContact O-N 2.84Å; D624-L627 VanDerWaalsContact O-N 3.14Å; D624-E628 PolarHBondContact O-N 3.02Å |
| 625 | G | 84.1 | Confident | 79.2 | Confident | 18 Ų | 18 | 94.6 Ų | 94.6 | 19% | 0.186 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -62.4 | -38 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | D622 E628 E629 | D622-G625 PolarHBondContact O-N 3.37Å; D622-G625 PolarHBondContact OD1-N 2.87Å; G625-E628 PolarHBondContact O-N 2.83Å; G625-E629 PolarHBondContact O-N 2.82Å |
| 626 | F | 84.1 | Confident | 77.1 | Confident | 42 Ų | 42 | 97 Ų | 97 | 18% | 0.184 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 169.8 | 175.9 | -95.3 | 0 | 0 | 0 | 112.2 | D615 M618 V619 D622 D624 E628 E629 F630 | D615-F626 HydrophobicContact CB-CD2 4.42Å; D615-F626 HydrophobicContact CB-CE2 3.85Å; M618-F626 HydrophobicContact CB-CB 4.1Å; M618-F626 HydrophobicContact CB-CD2 4.26Å; V619-F626 HydrophobicContact CG2-CB 4.08Å; V619-F626 HydrophobicContact CG2-CD1 3.4Å; V619-F626 VanDerWaalsContact CG2-CD1 3.4Å; V619-F626 HydrophobicContact CG2-CD2 3.72Å; V619-F626 HydrophobicContact CG2-CE1 3.68Å; V619-F626 HydrophobicContact CG2-CE2 3.98Å; V619-F626 HydrophobicContact CG2-CG 3.41Å; V619-F626 VanDerWaalsContact CG2-CG 3.41Å; V619-F626 HydrophobicContact CG2-CZ 3.96Å; D622-F626 PolarHBondContact O-N 2.84Å; D624-F626 PolarHBondContact O-N 2.75Å; F626-E628 VanDerWaalsContact C-N 3.29Å; F626-E628 PolarHBondContact O-N 3.15Å; F626-E629 PolarHBondContact O-N 3.11Å; F626-F630 HydrophobicContact CE1-CB 4.27Å; F626-F630 HydrophobicContact CE1-CG 4.47Å; F626-F630 HydrophobicContact CZ-CB 4.32Å; F626-F630 HydrophobicContact CZ-CD2 4.05Å; F626-F630 HydrophobicContact CZ-CG 4.38Å; F626-F630 VanDerWaalsContact O-CB 3.3Å; F626-F630 WeakPolarHBondContact O-CB 3.23Å; F626-F630 PolarHBondContact O-N 3.05Å |
| 627 | L | 83.1 | Confident | 74.7 | Confident | 102 Ų | 102 | 97.9 Ų | 97.9 | 53% | 0.534 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -37.6 | 174.3 | -109.3 | 82.3 | 0 | 0 | 0 | 111.6 | P623 D624 C631 | P623-L627 WeakPolarHBondContact O-CD1 3.2Å; P623-L627 PolarHBondContact O-N 2.79Å; D624-L627 CarbonylContact O-C 3.58Å; D624-L627 WeakPolarHBondContact O-CB 3.49Å; D624-L627 PolarHBondContact O-N 2.84Å; D624-L627 VanDerWaalsContact O-N 3.14Å; L627-C631 WeakPolarHBondContact O-CB 3.1Å; L627-C631 PolarHBondContact O-N 3.3Å; L627-C631 PolarHBondContact O-SG 3.38Å |
| 628 | E | 81.5 | Confident | 72.3 | Confident | 133 Ų | 133 | 96.9 Ų | 96.9 | 62% | 0.621 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.5 | -43.6 | 175.4 | -171.8 | 161.7 | -142.1 | 0 | 0 | 111.5 | D624 G625 F626 F630 C632 | D624-E628 PolarHBondContact O-N 3.02Å; G625-E628 PolarHBondContact O-N 2.83Å; F626-E628 VanDerWaalsContact C-N 3.29Å; F626-E628 PolarHBondContact O-N 3.15Å; E628-F630 PolarHBondContact O-N 2.85Å; E628-C632 HydrophobicContact CG-CB 4.15Å; E628-C632 VanDerWaalsContact O-CA 3.28Å; E628-C632 WeakPolarHBondContact O-CA 3.49Å; E628-C632 WeakPolarHBondContact O-CB 3.36Å; E628-C632 PolarHBondContact O-N 3.48Å |
| 629 | E | 75.2 | Confident | 70 | Confident | 107 Ų | 107 | 103 Ų | 103 | 50% | 0.5 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62 | -44.9 | 174.5 | -172.8 | 157.9 | -147.8 | 0 | 0 | 111.9 | G625 F626 G633 | G625-E629 PolarHBondContact O-N 2.82Å; F626-E629 PolarHBondContact O-N 3.11Å; E629-G633 VanDerWaalsContact O-CA 3.23Å; E629-G633 WeakPolarHBondContact O-CA 3.28Å; E629-G633 PolarHBondContact O-N 3.45Å |
| 630 | F | 74.4 | Confident | 67.2 | Low | 157 Ų | 157 | 109.3 Ų | 109.3 | 69% | 0.689 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73 | -39.1 | -178.7 | -165.3 | -95.3 | 0 | 0 | 0 | 113.6 | F626 E628 | F626-F630 HydrophobicContact CE1-CB 4.27Å; F626-F630 HydrophobicContact CE1-CG 4.47Å; F626-F630 HydrophobicContact CZ-CB 4.32Å; F626-F630 HydrophobicContact CZ-CD2 4.05Å; F626-F630 HydrophobicContact CZ-CG 4.38Å; F626-F630 VanDerWaalsContact O-CB 3.3Å; F626-F630 WeakPolarHBondContact O-CB 3.23Å; F626-F630 PolarHBondContact O-N 3.05Å; E628-F630 PolarHBondContact O-N 2.85Å |
| 631 | C | 71.4 | Confident | 64.3 | Low | 75 Ų | 75 | 109.8 Ų | 109.8 | 51% | 0.507 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -90.6 | -33.5 | -176.9 | -57 | 0 | 0 | 0 | 0 | 113.1 | L627 | L627-C631 WeakPolarHBondContact O-CB 3.1Å; L627-C631 PolarHBondContact O-N 3.3Å; L627-C631 PolarHBondContact O-SG 3.38Å |
| 632 | C | 62.6 | Low | 62.2 | Low | 50 Ų | 50 | 108.7 Ų | 108.7 | 34% | 0.338 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -99.6 | -13.5 | -179.5 | -57.5 | 0 | 0 | 0 | 0 | 113.1 | E628 A634 K635 S636 | E628-C632 HydrophobicContact CG-CB 4.15Å; E628-C632 VanDerWaalsContact O-CA 3.28Å; E628-C632 WeakPolarHBondContact O-CA 3.49Å; E628-C632 WeakPolarHBondContact O-CB 3.36Å; E628-C632 PolarHBondContact O-N 3.48Å; C632-A634 PolarHBondContact O-N 2.86Å; C632-K635 CarbonylContact O-C 3.5Å; C632-K635 PolarHBondContact O-N 3.2Å; C632-S636 WeakPolarHBondContact O-CB 3.38Å; C632-S636 PolarHBondContact O-N 2.84Å |
| 633 | G | 54.3 | Low | 59.6 | Low | 58 Ų | 58 | 113.5 Ų | 113.5 | 60% | 0.598 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -31.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E629 K635 | E629-G633 VanDerWaalsContact O-CA 3.23Å; E629-G633 WeakPolarHBondContact O-CA 3.28Å; E629-G633 PolarHBondContact O-N 3.45Å; G633-K635 VanDerWaalsContact C-N 3.31Å; G633-K635 PolarHBondContact O-N 3.23Å |
| 634 | A | 48.6 | Very low | 57.3 | Low | 92 Ų | 92 | 116 Ų | 116 | 76% | 0.76 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -4.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | C632 | C632-A634 PolarHBondContact O-N 2.86Š|
| 635 | K | 47.2 | Very low | 54.7 | Low | 179 Ų | 179 | 115.3 Ų | 115.3 | 78% | 0.778 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.4 | -16.1 | -173.9 | -72.2 | -169.6 | 174.7 | 179.4 | 0 | 116.3 | C632 G633 K637 | C632-K635 CarbonylContact O-C 3.5Å; C632-K635 PolarHBondContact O-N 3.2Å; G633-K635 VanDerWaalsContact C-N 3.31Å; G633-K635 PolarHBondContact O-N 3.23Å; K635-K637 PolarHBondContact O-N 3.07Å |
| 636 | S | 48.8 | Very low | 52.9 | Low | 96 Ų | 96 | 120.1 Ų | 120.1 | 67% | 0.671 | 67% | 0.667 | S | S | * | * | | | trans | -100.5 | 50.7 | -172.3 | -149.8 | 0 | 0 | 0 | 0 | 114.1 | C632 | C632-S636 WeakPolarHBondContact O-CB 3.38Å; C632-S636 PolarHBondContact O-N 2.84Å |
| 637 | K | 44.5 | Very low | 50.2 | Low | 158 Ų | 158 | 124 Ų | 124 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -135.8 | 33.3 | 163.5 | -67.4 | -161.9 | -170.9 | -175 | 0 | 112.8 | N330 K635 | N330-K637 WeakPolarHBondContact OD1-CD 3.5Å; N330-K637 PolarHBondContact OD1-NZ 3.45Å; K635-K637 PolarHBondContact O-N 3.07Å |
| 638 | V | 42.3 | Very low | 47.6 | Very low | 118 Ų | 118 | 127.4 Ų | 127.4 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -130.1 | 108 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 109 | | |
| 639 | F | 39.6 | Very low | 45 | Very low | 188 Ų | 188 | 128.6 Ų | 128.6 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | | | trans | 53 | 107.8 | 174.2 | -78.3 | -95 | 0 | 0 | 0 | 118.2 | | |
| 640 | Q | 33.9 | Very low | 42.8 | Very low | 199 Ų | 199 | 129.3 Ų | 129.3 | 93% | 0.93 | 73% | 0.734 | S | S | * | * | | | | -126.6 | 123 | 125.7 | -76.6 | -159.1 | 34.6 | 0 | 0 | 109.7 | | |
| 641 | D | 29.3 | Very low | 40.4 | Very low | 144 Ų | 144 | 127.9 Ų | 127.9 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | | | trans | -133.4 | 131.4 | 160 | -148.3 | 0.2 | 0 | 0 | 0 | 104.7 | | |
| 642 | P | 45.3 | Very low | 38.3 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 68% | 0.675 | 75% | 0.749 | S | S | * | * | | | trans | -92.8 | 132.8 | -152.3 | 33.3 | -34.7 | 0 | 0 | 0 | 114.7 | | |
| 643 | L | 32.3 | Very low | 36.8 | Very low | 173 Ų | 173 | 135 Ų | 135 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | | | trans | -148.4 | 170.2 | 161.4 | -120.9 | 78.7 | 0 | 0 | 0 | 108.7 | | |
| 644 | P | 36.8 | Very low | 35.7 | Very low | 118 Ų | 118 | 138.3 Ų | 138.3 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | | | trans | -111.7 | 171.7 | -135.3 | 9.1 | 16.9 | 0 | 0 | 0 | 114.7 | | |
| 645 | S | 28.8 | Very low | 34.9 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -78.3 | 176.3 | 173.6 | 57.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 646 | P | 46.1 | Very low | 34.1 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | | -132.5 | 177.8 | -53 | 38 | -24.1 | 0 | 0 | 0 | 111.8 | | |
| 647 | S | 27.7 | Very low | 33 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | | | trans | -151.8 | 153.2 | 160.8 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 648 | E | 29.2 | Very low | 32.4 | Very low | 174 Ų | 174 | 137.9 Ų | 137.9 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | trans | -94.4 | 163.6 | -166.5 | -58 | 159.4 | 117.1 | 0 | 0 | 112.8 | | |
| 649 | N | 27.2 | Very low | 31.8 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | | | | 173.3 | 106.8 | 120.2 | -89.9 | -60.1 | 0 | 0 | 0 | 114.4 | | |
| 650 | T | 27.6 | Very low | 31.2 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | trans | -17.5 | 137.3 | 151.2 | -51.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 651 | C | 25.3 | Very low | 32.2 | Very low | 128 Ų | 128 | 131 Ų | 131 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | | | | -169.8 | 166.9 | 113 | -144.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 652 | D | 27.8 | Very low | 32.2 | Very low | 117 Ų | 117 | 133 Ų | 133 | 63% | 0.626 | 78% | 0.784 | S | S | * | * | | | trans | -103.2 | 156.3 | -159.3 | -89.3 | -82.8 | 0 | 0 | 0 | 117.8 | | |
| 653 | Q | 31 | Very low | 31.4 | Very low | 158 Ų | 158 | 135.3 Ų | 135.3 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | | | trans | 9.5 | 144 | 141.4 | -56.8 | 172 | 73.5 | 0 | 0 | 121.2 | | |
| 654 | S | 30.7 | Very low | 31.2 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 88% | 0.881 | 79% | 0.786 | S | S | * | * | | | trans | -154.7 | 139 | 137 | -78.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 655 | E | 31.8 | Very low | 31 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | -84 | -174.6 | 166.7 | -50.6 | 178.6 | 74 | 0 | 0 | 109.8 | | |
| 656 | Q | 30.7 | Very low | 30.9 | Very low | 162 Ų | 162 | 138.5 Ų | 138.5 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | | | cis | -163.5 | 147.4 | 9.7 | -151.6 | 166.9 | 55.8 | 0 | 0 | 111.5 | | |
| 657 | G | 25.1 | Very low | 30.2 | Very low | 74 Ų | 74 | 141.3 Ų | 141.3 | 76% | 0.763 | 77% | 0.774 | S | S | * | * | | | trans | 71.8 | 172.9 | 153 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 658 | S | 32.8 | Very low | 30.3 | Very low | 121 Ų | 121 | 143.6 Ų | 143.6 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | | | cis | -165.6 | 131.9 | -19.2 | -174.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 659 | A | 29.1 | Very low | 31.2 | Very low | 104 Ų | 104 | 141 Ų | 141 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | -164.9 | 120.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 660 | E | 27.7 | Very low | 31.2 | Very low | 171 Ų | 171 | 137.1 Ų | 137.1 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | trans | -148.6 | -179.7 | 177.8 | -130.2 | -158.2 | 130.8 | 0 | 0 | 106.2 | | |
| 661 | P | 54.4 | Low | 31.6 | Very low | 87 Ų | 87 | 142 Ų | 142 | 57% | 0.565 | 78% | 0.778 | S | S | * | * | | | cis | -126.7 | -169.8 | -31 | 31.5 | -11.3 | 0 | 0 | 0 | 111.6 | | |
| 662 | E | 29 | Very low | 31.8 | Very low | 184 Ų | 184 | 139.7 Ų | 139.7 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | | | | -177.9 | 162 | 110.6 | -95.9 | -142.5 | 104.8 | 0 | 0 | 113.3 | | |
| 663 | H | 29 | Very low | 32.5 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | | | trans | -109.5 | 151.5 | -166.1 | -58.8 | -94.7 | 0 | 0 | 0 | 114.5 | | |
| 664 | R | 28.1 | Very low | 33.4 | Very low | 242 Ų | 242 | 139.4 Ų | 139.4 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | | | | 170.9 | 167.6 | 120 | -94.8 | -177.8 | 161.7 | 111.4 | -3.3 | 111.3 | | |
| 665 | T | 32.4 | Very low | 33.7 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 61% | 0.613 | 78% | 0.777 | S | S | * | * | | | cis | 169.4 | 130 | -37.9 | -83.8 | 0 | 0 | 0 | 0 | 107.3 | | |
| 666 | D | 27.1 | Very low | 33.7 | Very low | 128 Ų | 128 | 133 Ų | 133 | 68% | 0.684 | 78% | 0.783 | S | S | * | * | | | trans | 71.2 | 118.2 | 157.9 | -61.9 | -8.1 | 0 | 0 | 0 | 124.6 | | |
| 667 | F | 29.8 | Very low | 33.9 | Very low | 177 Ų | 177 | 129.5 Ų | 129.5 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | 43.3 | 131.5 | 130.5 | -58.8 | -75.3 | 0 | 0 | 0 | 125.5 | | |
| 668 | Q | 30.3 | Very low | 34.4 | Very low | 171 Ų | 171 | 129.4 Ų | 129.4 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | | 6.5 | 167.5 | 127.1 | -83.4 | -172.3 | -45.5 | 0 | 0 | 121.8 | | |
| 669 | P | 48.6 | Very low | 34.4 | Very low | 120 Ų | 120 | 131 Ų | 131 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | cis | -136 | -172.3 | -26.4 | 38.2 | -20 | 0 | 0 | 0 | 113 | | |
| 670 | G | 27.6 | Very low | 34.6 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | 177.5 | 138.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 671 | F | 34.9 | Very low | 34.7 | Very low | 225 Ų | 225 | 126.2 Ų | 126.2 | 99% | 0.987 | 79% | 0.792 | S | S | * | * | | | trans | -80.3 | 160.6 | 177.6 | -73.1 | -106.7 | 0 | 0 | 0 | 113.9 | | |
| 672 | G | 29.7 | Very low | 33.5 | Very low | 80 Ų | 80 | 126.9 Ų | 126.9 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 163.1 | 109.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 673 | D | 42.4 | Very low | 33.6 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | | | trans | -90.4 | 149.4 | 160.1 | 172.1 | 52.4 | 0 | 0 | 0 | 109.6 | G675 | D673-G675 PolarHBondContact OD1-N 2.88Š|
| 674 | P | 51 | Low | 34.5 | Very low | 122 Ų | 122 | 123.5 Ų | 123.5 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | | | | -149.7 | 111.2 | 112.6 | 34.4 | -15.1 | 0 | 0 | 0 | 116.4 | | |
| 675 | G | 36.9 | Very low | 34.7 | Very low | 67 Ų | 67 | 117.3 Ų | 117.3 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | | | | 69.3 | 130.7 | 108.3 | 0 | 0 | 0 | 0 | 0 | 123 | D673 | D673-G675 PolarHBondContact OD1-N 2.88Š|
| 676 | G | 32.1 | Very low | 34.4 | Very low | 85 Ų | 85 | 119.5 Ų | 119.5 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | | | trans | 130 | 131 | 160.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 677 | G | 34.3 | Very low | 34.4 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | | | cis | 120.6 | 129.9 | 2.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 678 | G | 34.9 | Very low | 34.5 | Very low | 72 Ų | 72 | 122.6 Ų | 122.6 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | | | cis | 162.3 | 149.6 | -7.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 679 | V | 33.2 | Very low | 34.5 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 93% | 0.927 | 81% | 0.813 | S | S | * | * | | | trans | -168.3 | 152.8 | 168.5 | -88.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 680 | A | 33.8 | Very low | 35 | Very low | 94 Ų | 94 | 122.2 Ų | 122.2 | 78% | 0.777 | 81% | 0.808 | S | S | * | * | | | cis | -168.3 | 129.5 | -30 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 681 | G | 28.7 | Very low | 35.8 | Very low | 82 Ų | 82 | 124.2 Ų | 124.2 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | | | trans | 81.2 | 150.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 682 | A | 30.7 | Very low | 35.6 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | | | cis | -154.8 | 164.6 | -9 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 683 | L | 29.6 | Very low | 35.7 | Very low | 163 Ų | 163 | 123.4 Ų | 123.4 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | | | trans | -95.7 | 175.2 | -179.2 | -92.6 | 80.8 | 0 | 0 | 0 | 111.9 | | |
| 684 | P | 49.2 | Very low | 35.1 | Very low | 103 Ų | 103 | 122.3 Ų | 122.3 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | cis | -143.8 | -171.4 | -35.9 | 41 | -23 | 0 | 0 | 0 | 114.5 | | |
| 685 | S | 30.5 | Very low | 34 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | trans | 75.3 | 121.1 | 143.4 | -63.3 | 0 | 0 | 0 | 0 | 124.2 | | |
| 686 | D | 27.1 | Very low | 33.7 | Very low | 147 Ų | 147 | 127.1 Ų | 127.1 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | | | trans | 84.2 | 153.1 | 130.5 | -159 | 28 | 0 | 0 | 0 | 121.9 | | |
| 687 | R | 27.5 | Very low | 33.5 | Very low | 214 Ų | 214 | 131.8 Ų | 131.8 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | trans | 76.1 | 100.7 | 168.4 | -62.7 | -166.9 | 166.7 | -148.3 | -6.8 | 122.3 | | |
| 688 | L | 31.6 | Very low | 33.2 | Very low | 156 Ų | 156 | 133.4 Ų | 133.4 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | | | | 25.1 | 142.6 | 118 | -68.5 | 168.9 | 0 | 0 | 0 | 122.5 | | |
| 689 | H | 29.7 | Very low | 33.2 | Very low | 177 Ų | 177 | 138.2 Ų | 138.2 | 82% | 0.819 | 78% | 0.776 | S | S | * | * | | | trans | 82.6 | 161.5 | 156.2 | -85.2 | -63.8 | 0 | 0 | 0 | 119.1 | | |
| 690 | P | 60.1 | Low | 33 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | | | trans | -115.5 | -178.9 | -141.6 | 44.6 | -37.2 | 0 | 0 | 0 | 114.8 | | |
| 691 | P | 44.8 | Very low | 32.8 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | | | trans | -149.4 | 135.5 | 133.4 | 35.4 | -17.8 | 0 | 0 | 0 | 117.3 | | |
| 692 | H | 29.5 | Very low | 32.7 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 78% | 0.778 | 77% | 0.767 | S | S | * | * | | | | 35.8 | 144.4 | 105.3 | -155.3 | -146.7 | 0 | 0 | 0 | 122.3 | | |
| 693 | L | 32.4 | Very low | 32.5 | Very low | 121 Ų | 121 | 152.6 Ų | 152.6 | 63% | 0.634 | 77% | 0.77 | S | S | * | * | | | trans | 102 | 119 | 153 | -76 | 160.8 | 0 | 0 | 0 | 123.4 | | |
| 694 | D | 29.8 | Very low | 33.1 | Very low | 122 Ų | 122 | 150 Ų | 150 | 65% | 0.652 | 76% | 0.762 | S | S | * | * | | | trans | 42.7 | 130.3 | 133.3 | -69.5 | 7 | 0 | 0 | 0 | 123.8 | | |
| 695 | N | 28.7 | Very low | 32 | Very low | 138 Ų | 138 | 153.2 Ų | 153.2 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | | | | 169.7 | 162.3 | 102.8 | -92.3 | -83.5 | 0 | 0 | 0 | 109.9 | | |
| 696 | Q | 30.3 | Very low | 32 | Very low | 152 Ų | 152 | 156 Ų | 156 | 71% | 0.71 | 77% | 0.769 | S | S | * | * | | | cis | -169.5 | 159.5 | -37.6 | -171.5 | 178.9 | 92.8 | 0 | 0 | 108.1 | | |
| 697 | K | 28 | Very low | 31.9 | Very low | 183 Ų | 183 | 153.8 Ų | 153.8 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | | | trans | 86.6 | 114.5 | -178.7 | -56.7 | -179 | 179.2 | 178.5 | 0 | 114.2 | | |
| 698 | V | 28 | Very low | 31.9 | Very low | 122 Ų | 122 | 153.3 Ų | 153.3 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | | | cis | 86.1 | 106.7 | 44.9 | 177.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 699 | L | 34.7 | Very low | 31.7 | Very low | 173 Ų | 173 | 149.4 Ų | 149.4 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | | | trans | -144.4 | 134.4 | 130.6 | -108.4 | 171.9 | 0 | 0 | 0 | 108.9 | | |
| 700 | E | 28.7 | Very low | 31.6 | Very low | 158 Ų | 158 | 147.6 Ų | 147.6 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | | | trans | -92.4 | 176.8 | 178.3 | -42.9 | 175.9 | 94.2 | 0 | 0 | 110.3 | | |
| 701 | L | 29.4 | Very low | 29.9 | Very low | 149 Ų | 149 | 145.8 Ų | 145.8 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | cis | -160.1 | 178.1 | 1.2 | -158.5 | 60.7 | 0 | 0 | 0 | 108.8 | | |
| 702 | K | 26.3 | Very low | 29.1 | Very low | 193 Ų | 193 | 146 Ų | 146 | 84% | 0.839 | 78% | 0.779 | S | S | * | * | | | trans | 113.9 | 97.6 | 137.5 | -159.8 | 167.8 | -177.2 | 179.9 | 0 | 119.5 | | |
| 703 | R | 27.2 | Very low | 29 | Very low | 232 Ų | 232 | 142.7 Ų | 142.7 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | | | trans | -66.1 | 173.1 | 148.8 | -80.5 | -174.1 | -167.8 | 135.7 | 2.6 | 111.4 | | |
| 704 | P | 41.3 | Very low | 28.8 | Very low | 107 Ų | 107 | 140 Ų | 140 | 70% | 0.695 | 78% | 0.782 | S | S | * | * | | | cis | -123 | -153.8 | 9.1 | 35.4 | -12.2 | 0 | 0 | 0 | 111.3 | | |
| 705 | Q | 25.5 | Very low | 28.8 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | | | cis | -159.8 | 171.4 | 10.4 | -154.4 | 169 | -86.1 | 0 | 0 | 112.5 | | |
| 706 | Q | 31.1 | Very low | 28.9 | Very low | 172 Ų | 172 | 141.3 Ų | 141.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -75.9 | 156.8 | 162.5 | -58.5 | 158.7 | -50 | 0 | 0 | 112 | | |
| 707 | S | 26.4 | Very low | 29.7 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | | | | 155.6 | 158.2 | 110.5 | 63.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 708 | F | 27.3 | Very low | 29.7 | Very low | 204 Ų | 204 | 138.1 Ų | 138.1 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | | | trans | 13.3 | 122 | 162.3 | -56.6 | -69.4 | 0 | 0 | 0 | 122.5 | | |
| 709 | G | 26 | Very low | 29.8 | Very low | 74 Ų | 74 | 136.3 Ų | 136.3 | 76% | 0.763 | 80% | 0.798 | S | S | * | * | | | | 93.2 | 122 | 88.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 710 | S | 27.1 | Very low | 29.6 | Very low | 139 Ų | 139 | 132 Ų | 132 | 97% | 0.972 | 79% | 0.787 | S | S | * | * | | | trans | 69.9 | 145.7 | 150.1 | -158 | 0 | 0 | 0 | 0 | 120.7 | | |
| 711 | G | 25.8 | Very low | 29.7 | Very low | 67 Ų | 67 | 131.8 Ų | 131.8 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | | | trans | 139.8 | 72.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 712 | S | 27.8 | Very low | 29.6 | Very low | 123 Ų | 123 | 130 Ų | 130 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | trans | 50.3 | 149.4 | 134.3 | -151.6 | 0 | 0 | 0 | 0 | 124.7 | | |
| 713 | A | 28.1 | Very low | 29.9 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | 68.6 | 146.7 | 161 | 0 | 0 | 0 | 0 | 0 | 119.1 | | |
| 714 | G | 27.1 | Very low | 30.1 | Very low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | | | cis | 167.3 | -169.1 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 715 | N | 30.5 | Very low | 29.6 | Very low | 175 Ų | 175 | 128.7 Ų | 128.7 | 94% | 0.936 | 79% | 0.794 | S | S | * | * | | | trans | 86.1 | 129.9 | 169.6 | -54.9 | -23.8 | 0 | 0 | 0 | 119.7 | | |
| 716 | S | 31.1 | Very low | 29.8 | Very low | 113 Ų | 113 | 124 Ų | 124 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | | | trans | -140.9 | 143.5 | 164.9 | 171.1 | 0 | 0 | 0 | 0 | 109 | | |
| 717 | P | 45.7 | Very low | 29.9 | Very low | 109 Ų | 109 | 125.8 Ų | 125.8 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | | | trans | -128.1 | 165.2 | 149.7 | 7.5 | 16 | 0 | 0 | 0 | 110.7 | | |
| 718 | D | 29.6 | Very low | 30 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 85% | 0.85 | 81% | 0.806 | S | S | * | * | | | cis | -168.5 | 165.3 | -10.2 | -126 | -35.8 | 0 | 0 | 0 | 105.4 | | |
| 719 | A | 29 | Very low | 30.3 | Very low | 84 Ų | 84 | 127.5 Ų | 127.5 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | | | cis | -154.5 | -151.5 | -0.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 720 | A | 29.6 | Very low | 31.6 | Very low | 81 Ų | 81 | 128.8 Ų | 128.8 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | cis | -159.8 | 156.6 | -2.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 721 | N | 30.9 | Very low | 31.8 | Very low | 155 Ų | 155 | 131.7 Ų | 131.7 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | | | trans | 21.9 | 120.5 | 148.8 | -63 | -26.4 | 0 | 0 | 0 | 121.6 | | |
| 722 | S | 29.2 | Very low | 32 | Very low | 111 Ų | 111 | 133 Ų | 133 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | | -170 | 143.9 | 109.8 | 30.5 | 0 | 0 | 0 | 0 | 115 | | |
| 723 | Y | 32.6 | Very low | 32.2 | Very low | 226 Ų | 226 | 132 Ų | 132 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | | | trans | 8.8 | 149.2 | 151.7 | -61.5 | -81.7 | 0 | 0 | 0 | 121.5 | | |
| 724 | A | 30.5 | Very low | 32.2 | Very low | 81 Ų | 81 | 132.1 Ų | 132.1 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | | | cis | -162.9 | 133.2 | 0.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 725 | Q | 30.4 | Very low | 32.5 | Very low | 198 Ų | 198 | 134.1 Ų | 134.1 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | | | | 70.3 | 104.7 | 91.7 | -161.9 | -176.2 | 9.5 | 0 | 0 | 118.2 | | |
| 726 | G | 30.6 | Very low | 32.5 | Very low | 73 Ų | 73 | 130 Ų | 130 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | 131.6 | 138 | 160 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 727 | K | 31.9 | Very low | 32.4 | Very low | 209 Ų | 209 | 128.5 Ų | 128.5 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | | | cis | -145.5 | 158.2 | 2.3 | -78.7 | -179.3 | 178.2 | 173.1 | 0 | 112.9 | | |
| 728 | R | 28.9 | Very low | 31.8 | Very low | 236 Ų | 236 | 132.3 Ų | 132.3 | 89% | 0.891 | 81% | 0.813 | S | S | * | * | | | trans | -32.9 | 160.3 | 153.9 | -80.3 | -175.7 | 179.4 | 172.6 | -1.4 | 116.4 | | |
| 729 | S | 34.9 | Very low | 31.9 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 82% | 0.815 | S | S | * | * | | | cis | -173.6 | -155.7 | -8.5 | 56 | 0 | 0 | 0 | 0 | 111.1 | | |
| 730 | P | 53.1 | Low | 32.1 | Very low | 100 Ų | 100 | 136 Ų | 136 | 65% | 0.649 | 82% | 0.821 | S | S | * | * | | | | -133.6 | -146.2 | -116.4 | 43.8 | -20.3 | 0 | 0 | 0 | 115.5 | | |
| 731 | F | 30.3 | Very low | 32 | Very low | 200 Ų | 200 | 138.2 Ų | 138.2 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | | | trans | 84.7 | 139.5 | -179.5 | -68.6 | -89.7 | 0 | 0 | 0 | 115.3 | | |
| 732 | A | 30.7 | Very low | 31.9 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 79% | 0.785 | 83% | 0.832 | S | S | * | * | | | cis | -154.9 | 178 | -9.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 733 | A | 30.6 | Very low | 31.9 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 85% | 0.851 | 84% | 0.837 | S | S | * | * | | | trans | -127.9 | 152.4 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 734 | A | 30 | Very low | 31.7 | Very low | 100 Ų | 100 | 135.9 Ų | 135.9 | 83% | 0.826 | 83% | 0.834 | S | S | * | * | | | trans | -158.5 | 130.9 | 147.7 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 735 | A | 32.6 | Very low | 31.7 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | | | cis | 96.5 | 109.4 | 17.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 736 | G | 30 | Very low | 31.5 | Very low | 89 Ų | 89 | 135 Ų | 135 | 92% | 0.918 | 83% | 0.828 | S | S | * | * | | | trans | 117 | 128 | 154.3 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 737 | G | 28.8 | Very low | 31.5 | Very low | 82 Ų | 82 | 139.8 Ų | 139.8 | 85% | 0.845 | 84% | 0.836 | S | S | * | * | | | trans | 144.5 | 65.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 738 | Q | 32.7 | Very low | 31.4 | Very low | 189 Ų | 189 | 134.7 Ų | 134.7 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | | | trans | -134.7 | 141.1 | 155.4 | -84.1 | -166 | -0.6 | 0 | 0 | 109.9 | | |
| 739 | T | 32.5 | Very low | 31.3 | Very low | 146 Ų | 146 | 128.2 Ų | 128.2 | 90% | 0.896 | 82% | 0.817 | S | S | * | * | | | trans | -148.7 | 131 | 161.4 | 44.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 740 | H | 32.8 | Very low | 31 | Very low | 175 Ų | 175 | 131.3 Ų | 131.3 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | | | trans | -76.6 | 162.1 | 173.2 | -116.8 | -112.8 | 0 | 0 | 0 | 112.3 | | |
| 741 | S | 27.5 | Very low | 30.5 | Very low | 127 Ų | 127 | 131.4 Ų | 131.4 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | | | trans | -156.8 | 147.2 | 151.1 | -81.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 742 | Q | 29.7 | Very low | 30.6 | Very low | 179 Ų | 179 | 127.9 Ų | 127.9 | 84% | 0.836 | 81% | 0.808 | S | S | * | * | | | trans | -138.7 | 132 | -171.8 | 179.7 | -172.5 | 53.5 | 0 | 0 | 109.8 | | |
| 743 | V | 28.1 | Very low | 30.4 | Very low | 147 Ų | 147 | 133 Ų | 133 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | | | trans | -141 | 156 | 171 | -178.9 | 0 | 0 | 0 | 0 | 108 | | |
| 744 | S | 29.4 | Very low | 30.2 | Very low | 117 Ų | 117 | 133 Ų | 133 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | | | trans | -135.4 | 179.7 | -169.6 | -168.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 745 | A | 29.9 | Very low | 30.8 | Very low | 78 Ų | 78 | 133 Ų | 133 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | | | trans | 94.2 | 107.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 746 | H | 27.7 | Very low | 30.6 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 84% | 0.838 | 79% | 0.792 | S | S | * | * | | | trans | 54.2 | 132 | 134.2 | -65.4 | -77.8 | 0 | 0 | 0 | 123.7 | | |
| 747 | L | 30.2 | Very low | 30.6 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 92% | 0.916 | 79% | 0.787 | S | S | * | * | | | | -174.7 | 164.8 | 108.3 | -102 | 163.9 | 0 | 0 | 0 | 115.4 | | |
| 748 | S | 28.3 | Very low | 30.7 | Very low | 102 Ų | 102 | 140.4 Ų | 140.4 | 71% | 0.713 | 79% | 0.785 | S | S | * | * | | | trans | 77.5 | 111.9 | 178.4 | -151.9 | 0 | 0 | 0 | 0 | 116.8 | | |
| 749 | S | 28.2 | Very low | 30.8 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | cis | 80.9 | 102.3 | 32.6 | 81.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 750 | Q | 27.6 | Very low | 31.2 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | | | | 72.8 | 152.5 | 77.1 | -102.8 | -157.4 | -23.8 | 0 | 0 | 115.2 | | |
| 751 | P | 43.5 | Very low | 31.6 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 67% | 0.669 | 77% | 0.773 | S | S | * | * | | | cis | -130.6 | 151 | 35.5 | 38.5 | -20.2 | 0 | 0 | 0 | 117.9 | | |
| 752 | Q | 31.1 | Very low | 32.2 | Very low | 125 Ų | 125 | 135.2 Ų | 135.2 | 58% | 0.584 | 77% | 0.769 | S | S | * | * | | | | 62 | 141.5 | 110.8 | -51.6 | 180 | -74.9 | 0 | 0 | 117.6 | | |
| 753 | Y | 26.5 | Very low | 33 | Very low | 204 Ų | 204 | 131.7 Ų | 131.7 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | | | cis | -148.6 | 178.6 | 33.2 | -106.5 | -82 | 0 | 0 | 0 | 113.6 | | |
| 754 | S | 28.1 | Very low | 33.9 | Very low | 103 Ų | 103 | 131 Ų | 131 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | | | trans | -131.6 | -176.2 | -178 | 66.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 755 | P | 42 | Very low | 35.1 | Very low | 100 Ų | 100 | 131.1 Ų | 131.1 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | cis | -150 | 177.5 | 28.6 | 46.1 | -25.3 | 0 | 0 | 0 | 120.4 | | |
| 756 | Q | 27.3 | Very low | 36.2 | Very low | 178 Ų | 178 | 133.3 Ų | 133.3 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | 63.6 | 154.6 | 157.6 | -76.5 | 174.9 | -23.7 | 0 | 0 | 118.6 | | |
| 757 | L | 30.3 | Very low | 37.7 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | | | cis | -129.7 | 172.1 | 10.5 | -157.6 | 75.6 | 0 | 0 | 0 | 111 | | |
| 758 | A | 31.5 | Very low | 39.1 | Very low | 97 Ų | 97 | 123.1 Ų | 123.1 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | | | trans | -107.9 | 152.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 759 | S | 33.8 | Very low | 40.8 | Very low | 112 Ų | 112 | 123.6 Ų | 123.6 | 78% | 0.783 | 71% | 0.712 | S | S | * | * | | | trans | -132.4 | 152.2 | 171 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 760 | P | 42.6 | Very low | 42.7 | Very low | 117 Ų | 117 | 125 Ų | 125 | 76% | 0.76 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 161.6 | -172.3 | 33.6 | -36.6 | 0 | 0 | 0 | 113.6 | | |
| 761 | P | 40.6 | Very low | 44.5 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 79% | 0.786 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 161.1 | 171.8 | 31.3 | -35.8 | 0 | 0 | 0 | 112.6 | | |
| 762 | H | 39.8 | Very low | 45.6 | Very low | 177 Ų | 177 | 117.1 Ų | 117.1 | 82% | 0.819 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 145 | 174 | -114.8 | -104.6 | 0 | 0 | 0 | 111.8 | | |
| 763 | P | 47.3 | Very low | 47.4 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 69% | 0.688 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 146.9 | 165.4 | 33.5 | -33.2 | 0 | 0 | 0 | 111.1 | T765 | P763-T765 PolarHBondContact O-N 3.36Š|
| 764 | D | 45.8 | Very low | 49.1 | Very low | 131 Ų | 131 | 109.5 Ų | 109.5 | 70% | 0.701 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 128.9 | 176.8 | -55 | -75.3 | 0 | 0 | 0 | 111.4 | D766 | D764-D766 VanDerWaalsContact C-N 3.27Å; D764-D766 PolarHBondContact O-N 2.92Å |
| 765 | T | 54.1 | Low | 50.8 | Low | 120 Ų | 120 | 108.3 Ų | 108.3 | 74% | 0.736 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.7 | -23.2 | -174.9 | 44.4 | 0 | 0 | 0 | 0 | 113.7 | P763 A768 L769 | P763-T765 PolarHBondContact O-N 3.36Å; T765-A768 PolarHBondContact O-N 2.8Å; T765-L769 PolarHBondContact O-N 3Å |
| 766 | D | 53 | Low | 52.1 | Low | 125 Ų | 125 | 109.7 Ų | 109.7 | 67% | 0.668 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -64.3 | -49.7 | 179.7 | -110.4 | -14 | 0 | 0 | 0 | 112 | D764 A768 L769 E770 | D764-D766 VanDerWaalsContact C-N 3.27Å; D764-D766 PolarHBondContact O-N 2.92Å; D766-A768 PolarHBondContact O-N 2.78Å; D766-L769 PolarHBondContact O-N 2.76Å; D766-E770 PolarHBondContact O-N 3.49Å |
| 767 | S | 59.9 | Low | 53.6 | Low | 76 Ų | 76 | 107.8 Ų | 107.8 | 53% | 0.531 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -65.9 | -24.2 | -179.4 | -59.4 | 0 | 0 | 0 | 0 | 113.1 | A771 | S767-A771 WeakPolarHBondContact O-CB 3.44Å; S767-A771 PolarHBondContact O-N 2.91Å |
| 768 | A | 59.3 | Low | 54.9 | Low | 66 Ų | 66 | 108.8 Ų | 108.8 | 55% | 0.545 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -72.8 | -37.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | T765 D766 A772 | T765-A768 PolarHBondContact O-N 2.8Å; D766-A768 PolarHBondContact O-N 2.78Å; A768-A772 WeakPolarHBondContact O-CB 3.11Å; A768-A772 PolarHBondContact O-N 3Å |
| 769 | L | 63.8 | Low | 55.7 | Low | 112 Ų | 112 | 112.4 Ų | 112.4 | 59% | 0.586 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -70.9 | -43.8 | 175.7 | -174.8 | 61.7 | 0 | 0 | 0 | 111.4 | T765 D766 A771 A772 V773 | T765-L769 PolarHBondContact O-N 3Å; D766-L769 PolarHBondContact O-N 2.76Å; L769-A771 PolarHBondContact O-N 3.01Å; L769-A772 PolarHBondContact O-N 3.14Å; L769-V773 WeakPolarHBondContact O-CG2 3.31Å; L769-V773 PolarHBondContact O-N 3.03Å |
| 770 | E | 68.6 | Low | 56.8 | Low | 128 Ų | 128 | 112.4 Ų | 112.4 | 60% | 0.598 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -61.6 | -42 | 175.2 | -172.5 | 176.9 | -147.6 | 0 | 0 | 111.6 | D766 V773 N774 | D766-E770 PolarHBondContact O-N 3.49Å; E770-V773 PolarHBondContact O-N 3.15Å; E770-N774 WeakPolarHBondContact O-CB 3.38Å; E770-N774 PolarHBondContact O-N 2.82Å; E770-N774 PolarHBondContact O-ND2 3.21Å |
| 771 | A | 66.3 | Low | 57.5 | Low | 58 Ų | 58 | 112.2 Ų | 112.2 | 48% | 0.479 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -64.1 | -39.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S767 L769 S775 | S767-A771 WeakPolarHBondContact O-CB 3.44Å; S767-A771 PolarHBondContact O-N 2.91Å; L769-A771 PolarHBondContact O-N 3.01Å; A771-S775 WeakPolarHBondContact O-CB 3.45Å; A771-S775 PolarHBondContact O-N 3.46Å |
| 772 | A | 66.3 | Low | 58.5 | Low | 47 Ų | 47 | 111.7 Ų | 111.7 | 39% | 0.388 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.9 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A768 L769 S775 I776 | A768-A772 WeakPolarHBondContact O-CB 3.11Å; A768-A772 PolarHBondContact O-N 3Å; L769-A772 PolarHBondContact O-N 3.14Å; A772-S775 PolarHBondContact O-N 3.5Å; A772-I776 WeakPolarHBondContact O-CG1 3.4Å; A772-I776 PolarHBondContact O-N 3.04Å; A772-I776 VanDerWaalsContact O-N 3.14Å |
| 773 | V | 68.8 | Low | 59.6 | Low | 77 Ų | 77 | 107.8 Ų | 107.8 | 47% | 0.467 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.9 | -44.6 | 176.2 | 170.3 | 0 | 0 | 0 | 0 | 111 | L769 E770 S775 I776 L777 | L769-V773 WeakPolarHBondContact O-CG2 3.31Å; L769-V773 PolarHBondContact O-N 3.03Å; E770-V773 PolarHBondContact O-N 3.15Å; V773-S775 PolarHBondContact O-N 3.47Å; V773-I776 PolarHBondContact O-N 3.41Å; V773-L777 HydrophobicContact CG1-CD1 4.3Å; V773-L777 PolarHBondContact O-N 2.85Å |
| 774 | N | 62.6 | Low | 60.3 | Low | 92 Ų | 92 | 107.9 Ų | 107.9 | 49% | 0.492 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -63.6 | -39.8 | 175.6 | -75.9 | -63.2 | 0 | 0 | 0 | 112.2 | E770 I776 L777 E778 | E770-N774 WeakPolarHBondContact O-CB 3.38Å; E770-N774 PolarHBondContact O-N 2.82Å; E770-N774 PolarHBondContact O-ND2 3.21Å; N774-I776 PolarHBondContact O-N 2.9Å; N774-L777 PolarHBondContact O-N 3.32Å; N774-L777 VanDerWaalsContact O-N 3.13Å; N774-E778 PolarHBondContact O-N 2.85Å |
| 775 | S | 64.2 | Low | 61.3 | Low | 78 Ų | 78 | 106.4 Ų | 106.4 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.7 | -20.1 | 176.8 | -173.2 | 0 | 0 | 0 | 0 | 114.3 | A771 A772 V773 | A771-S775 WeakPolarHBondContact O-CB 3.45Å; A771-S775 PolarHBondContact O-N 3.46Å; A772-S775 PolarHBondContact O-N 3.5Å; V773-S775 PolarHBondContact O-N 3.47Å |
| 776 | I | 67.4 | Low | 61.8 | Low | 130 Ų | 130 | 105.4 Ų | 105.4 | 67% | 0.667 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -85.1 | -21.7 | 175.4 | -70.6 | 164.9 | 0 | 0 | 0 | 111.4 | A772 V773 N774 | A772-I776 WeakPolarHBondContact O-CG1 3.4Å; A772-I776 PolarHBondContact O-N 3.04Å; A772-I776 VanDerWaalsContact O-N 3.14Å; V773-I776 PolarHBondContact O-N 3.41Å; N774-I776 PolarHBondContact O-N 2.9Å |
| 777 | L | 60.4 | Low | 62.5 | Low | 137 Ų | 137 | 103.9 Ų | 103.9 | 72% | 0.717 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -3.8 | 177.8 | -69.4 | 168.4 | 0 | 0 | 0 | 113.8 | V773 N774 | V773-L777 HydrophobicContact CG1-CD1 4.3Å; V773-L777 PolarHBondContact O-N 2.85Å; N774-L777 PolarHBondContact O-N 3.32Å; N774-L777 VanDerWaalsContact O-N 3.13Å |
| 778 | E | 57.2 | Low | 62.7 | Low | 178 Ų | 178 | 106.3 Ų | 106.3 | 83% | 0.832 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.8 | 19.1 | 178.3 | -152.2 | 173.9 | -164.9 | 0 | 0 | 112.8 | N774 | N774-E778 PolarHBondContact O-N 2.85Š|
| 779 | C | 47.5 | Very low | 63 | Low | 172 Ų | 172 | 109.9 Ų | 109.9 | 100% | 1.162 | 63% | 0.63 | S | S | * | * | | | trans | -124.9 | 0 | 176.8 | -73.4 | 0 | 0 | 0 | 0 | 112 | | |