| 1 | M | 61 | Low | 86.4 | Confident | 201 Ų | 201 | 122.7 Ų | 122.7 | 99% | 0.99 | 61% | 0.607 | S | S | * | * | | | | 0 | -17.3 | 0 | -76.6 | 177.8 | 173.6 | 0 | 0 | 112.6 | Q3 W4 | M1-Q3 PolarHBondContact O-N 2.64Å; M1-W4 PolarHBondContact O-N 3.06Å |
| 2 | E | 78.5 | Confident | 86.9 | Confident | 129 Ų | 129 | 121.7 Ų | 121.7 | 60% | 0.603 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -59.4 | -37.1 | -169 | -61.2 | 91.7 | 135.2 | 0 | 0 | 114 | W4 Q5 D6 | E2-W4 PolarHBondContact O-N 3.23Å; E2-Q5 CarbonylContact O-C 3.55Å; E2-Q5 WeakPolarHBondContact O-CA 3.4Å; E2-Q5 WeakPolarHBondContact O-CB 3.4Å; E2-Q5 PolarHBondContact O-N 3.11Å; E2-D6 PolarHBondContact O-N 2.82Å |
| 3 | Q | 85.2 | Confident | 87.4 | Confident | 170 Ų | 170 | 125 Ų | 125 | 79% | 0.794 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -53.3 | -34.5 | -179.5 | -70.9 | 179.9 | -18.1 | 0 | 0 | 114.2 | M1 A7 | M1-Q3 PolarHBondContact O-N 2.64Å; Q3-A7 WeakPolarHBondContact O-CB 3.05Å; Q3-A7 PolarHBondContact O-N 2.87Å |
| 4 | W | 92 | Very high | 87.8 | Confident | 223 Ų | 223 | 123.2 Ų | 123.2 | 85% | 0.845 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.9 | -29.3 | 175.8 | -112.5 | 79 | 0 | 0 | 0 | 112.6 | M1 E2 A8 | M1-W4 PolarHBondContact O-N 3.06Å; E2-W4 PolarHBondContact O-N 3.23Å; W4-A8 VanDerWaalsContact O-CB 3.24Å; W4-A8 WeakPolarHBondContact O-CB 3.45Å; W4-A8 PolarHBondContact O-N 2.85Å |
| 5 | Q | 88.9 | Confident | 88.2 | Confident | 139 Ų | 139 | 122.6 Ų | 122.6 | 65% | 0.65 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.7 | -40.2 | 173.3 | -63.2 | -177.7 | -22.4 | 0 | 0 | 111.1 | E2 A8 S9 | E2-Q5 CarbonylContact O-C 3.55Å; E2-Q5 WeakPolarHBondContact O-CA 3.4Å; E2-Q5 WeakPolarHBondContact O-CB 3.4Å; E2-Q5 PolarHBondContact O-N 3.11Å; Q5-A8 PolarHBondContact O-N 2.9Å; Q5-S9 WeakPolarHBondContact O-CB 3.48Å; Q5-S9 PolarHBondContact O-N 3.42Å |
| 6 | D | 92.8 | Very high | 88.3 | Confident | 95 Ų | 95 | 118.7 Ų | 118.7 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -61.1 | -50.2 | 174.1 | -76.5 | -42.7 | 0 | 0 | 0 | 111.1 | E2 A8 S9 Q10 | E2-D6 PolarHBondContact O-N 2.82Å; D6-A8 PolarHBondContact O-N 2.78Å; D6-S9 WeakPolarHBondContact O-CB 3.29Å; D6-S9 PolarHBondContact O-N 3.2Å; D6-S9 VanDerWaalsContact O-N 3.08Å; D6-S9 PolarHBondContact O-OG 3.07Å; D6-Q10 WeakPolarHBondContact O-CG 3.34Å; D6-Q10 PolarHBondContact O-N 2.86Å |
| 7 | A | 88.4 | Confident | 88.6 | Confident | 50 Ų | 50 | 115.5 Ų | 115.5 | 41% | 0.413 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.5 | -45.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q3 S9 Q10 Q11 | Q3-A7 WeakPolarHBondContact O-CB 3.05Å; Q3-A7 PolarHBondContact O-N 2.87Å; A7-S9 VanDerWaalsContact C-N 3.3Å; A7-S9 PolarHBondContact O-N 2.86Å; A7-Q10 PolarHBondContact O-N 2.82Å; A7-Q11 WeakPolarHBondContact O-CG 3.43Å; A7-Q11 PolarHBondContact O-N 3.05Å |
| 8 | A | 89.9 | Confident | 88.8 | Confident | 55 Ų | 55 | 118.9 Ų | 118.9 | 46% | 0.455 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.8 | -36.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W4 Q5 D6 Q11 L12 | W4-A8 VanDerWaalsContact O-CB 3.24Å; W4-A8 WeakPolarHBondContact O-CB 3.45Å; W4-A8 PolarHBondContact O-N 2.85Å; Q5-A8 PolarHBondContact O-N 2.9Å; D6-A8 PolarHBondContact O-N 2.78Å; A8-Q11 PolarHBondContact O-N 2.71Å; A8-L12 VanDerWaalsContact O-CB 3.29Å; A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 3.1Å |
| 9 | S | 91.7 | Very high | 89 | Confident | 34 Ų | 34 | 117.4 Ų | 117.4 | 24% | 0.238 | 58% | 0.577 | C | S | . | * | H | α-helix | trans | -70.7 | -30 | 177.1 | 87 | 0 | 0 | 0 | 0 | 113 | Q5 D6 A7 R13 | Q5-S9 WeakPolarHBondContact O-CB 3.48Å; Q5-S9 PolarHBondContact O-N 3.42Å; D6-S9 WeakPolarHBondContact O-CB 3.29Å; D6-S9 PolarHBondContact O-N 3.2Å; D6-S9 VanDerWaalsContact O-N 3.08Å; D6-S9 PolarHBondContact O-OG 3.07Å; A7-S9 VanDerWaalsContact C-N 3.3Å; A7-S9 PolarHBondContact O-N 2.86Å; S9-R13 VanDerWaalsContact O-CG 3.31Å; S9-R13 WeakPolarHBondContact O-CG 3.2Å; S9-R13 PolarHBondContact O-N 2.91Å; S9-R13 VanDerWaalsContact O-N 3.08Å; S9-R13 PolarHBondContact O-NH1 2.9Å; S9-R13 VanDerWaalsContact O-NH1 3.13Å; S9-R13 PolarHBondContact OG-NH1 3.18Å |
| 10 | Q | 91.9 | Very high | 89 | Confident | 125 Ų | 125 | 114.6 Ų | 114.6 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -72.9 | -46 | 173.4 | -71 | 179.2 | 0.8 | 0 | 0 | 110.6 | D6 A7 L12 R13 L14 | D6-Q10 WeakPolarHBondContact O-CG 3.34Å; D6-Q10 PolarHBondContact O-N 2.86Å; A7-Q10 PolarHBondContact O-N 2.82Å; Q10-L12 VanDerWaalsContact C-N 3.33Å; Q10-L12 PolarHBondContact O-N 3.15Å; Q10-R13 PolarHBondContact O-N 2.99Å; Q10-L14 WeakPolarHBondContact O-CG 3.48Å; Q10-L14 PolarHBondContact O-N 3.47Å |
| 11 | Q | 90.3 | Very high | 89.2 | Confident | 129 Ų | 129 | 114.2 Ų | 114.2 | 60% | 0.603 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.7 | -43.8 | 173.2 | -70.2 | -61.5 | -49.9 | 0 | 0 | 111.7 | A7 A8 L14 L15 | A7-Q11 WeakPolarHBondContact O-CG 3.43Å; A7-Q11 PolarHBondContact O-N 3.05Å; A8-Q11 PolarHBondContact O-N 2.71Å; Q11-L14 PolarHBondContact O-N 3.43Å; Q11-L15 VanDerWaalsContact O-CB 3.29Å; Q11-L15 WeakPolarHBondContact O-CB 3.34Å; Q11-L15 PolarHBondContact O-N 3.45Å |
| 12 | L | 92.6 | Very high | 90.7 | Very high | 110 Ų | 110 | 110.4 Ų | 110.4 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.4 | -45.4 | 176.2 | -176.4 | 61.3 | 0 | 0 | 0 | 111.8 | A8 Q10 L14 L15 T16 | A8-L12 VanDerWaalsContact O-CB 3.29Å; A8-L12 WeakPolarHBondContact O-CB 3.47Å; A8-L12 PolarHBondContact O-N 3.1Å; Q10-L12 VanDerWaalsContact C-N 3.33Å; Q10-L12 PolarHBondContact O-N 3.15Å; L12-L14 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 2.87Å; L12-T16 WeakPolarHBondContact O-CB 3.32Å; L12-T16 PolarHBondContact O-N 2.91Å; L12-T16 PolarHBondContact O-OG1 2.99Å; L12-T16 VanDerWaalsContact O-OG1 3.05Å |
| 13 | R | 93 | Very high | 91 | Very high | 165 Ų | 165 | 107.6 Ų | 107.6 | 62% | 0.623 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.9 | -43 | 176.2 | -76.1 | -179.8 | -171 | 94.3 | -10 | 112.6 | S9 Q10 L15 S17 | S9-R13 VanDerWaalsContact O-CG 3.31Å; S9-R13 WeakPolarHBondContact O-CG 3.2Å; S9-R13 PolarHBondContact O-N 2.91Å; S9-R13 VanDerWaalsContact O-N 3.08Å; S9-R13 PolarHBondContact O-NH1 2.9Å; S9-R13 VanDerWaalsContact O-NH1 3.13Å; S9-R13 PolarHBondContact OG-NH1 3.18Å; Q10-R13 PolarHBondContact O-N 2.99Å; R13-L15 VanDerWaalsContact C-N 3.35Å; R13-S17 PolarHBondContact O-N 3.02Å; R13-S17 PolarHBondContact O-OG 3.09Å |
| 14 | L | 93.2 | Very high | 91.1 | Very high | 100 Ų | 100 | 102.1 Ų | 102.1 | 52% | 0.524 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 177.7 | -70.2 | 170.7 | 0 | 0 | 0 | 112.8 | Q10 Q11 L12 S17 R18 | Q10-L14 WeakPolarHBondContact O-CG 3.48Å; Q10-L14 PolarHBondContact O-N 3.47Å; Q11-L14 PolarHBondContact O-N 3.43Å; L12-L14 PolarHBondContact O-N 3.01Å; L14-S17 PolarHBondContact O-OG 3.05Å; L14-S17 VanDerWaalsContact O-OG 3.11Å; L14-R18 WeakPolarHBondContact O-CG 3.43Å; L14-R18 PolarHBondContact O-N 3.36Å |
| 15 | L | 93.3 | Very high | 91 | Very high | 114 Ų | 114 | 96.8 Ų | 96.8 | 60% | 0.597 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -77.1 | -38.9 | 177.4 | -164.8 | 144.6 | 0 | 0 | 0 | 111 | Q11 L12 R13 L19 | Q11-L15 VanDerWaalsContact O-CB 3.29Å; Q11-L15 WeakPolarHBondContact O-CB 3.34Å; Q11-L15 PolarHBondContact O-N 3.45Å; L12-L15 PolarHBondContact O-N 2.87Å; R13-L15 VanDerWaalsContact C-N 3.35Å; L15-L19 VanDerWaalsContact O-CB 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.23Å; L15-L19 PolarHBondContact O-N 2.92Å |
| 16 | T | 90.1 | Very high | 91 | Very high | 60 Ų | 60 | 91.8 Ų | 91.8 | 37% | 0.368 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 172.6 | -64.6 | 0 | 0 | 0 | 0 | 112.3 | L12 L19 N20 | L12-T16 WeakPolarHBondContact O-CB 3.32Å; L12-T16 PolarHBondContact O-N 2.91Å; L12-T16 PolarHBondContact O-OG1 2.99Å; L12-T16 VanDerWaalsContact O-OG1 3.05Å; T16-L19 PolarHBondContact O-N 2.77Å; T16-N20 WeakPolarHBondContact O-CB 3.4Å; T16-N20 PolarHBondContact O-N 3.38Å |
| 17 | S | 93.2 | Very high | 90.4 | Very high | 65 Ų | 65 | 89.6 Ų | 89.6 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 177.6 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | R13 L14 N20 E21 | R13-S17 PolarHBondContact O-N 3.02Å; R13-S17 PolarHBondContact O-OG 3.09Å; L14-S17 PolarHBondContact O-OG 3.05Å; L14-S17 VanDerWaalsContact O-OG 3.11Å; S17-N20 PolarHBondContact O-N 2.96Å; S17-E21 WeakPolarHBondContact O-CB 3.44Å; S17-E21 PolarHBondContact O-N 2.85Å |
| 18 | R | 92.6 | Very high | 90.2 | Very high | 176 Ų | 176 | 92.8 Ų | 92.8 | 66% | 0.664 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.8 | -39.5 | 172.7 | -74.9 | -177.5 | 173.3 | -160.2 | -1.4 | 112.9 | L14 E21 L22 | L14-R18 WeakPolarHBondContact O-CG 3.43Å; L14-R18 PolarHBondContact O-N 3.36Å; R18-E21 PolarHBondContact O-N 2.83Å; R18-L22 WeakPolarHBondContact O-CB 3.3Å; R18-L22 WeakPolarHBondContact O-CG 3.43Å; R18-L22 PolarHBondContact O-N 3.17Å |
| 19 | L | 92.3 | Very high | 89.9 | Confident | 90 Ų | 90 | 97 Ų | 97 | 47% | 0.471 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64 | -45.2 | 176.8 | -169.4 | 77.5 | 0 | 0 | 0 | 110.8 | L15 T16 L22 L23 | L15-L19 VanDerWaalsContact O-CB 3.24Å; L15-L19 WeakPolarHBondContact O-CB 3.23Å; L15-L19 PolarHBondContact O-N 2.92Å; T16-L19 PolarHBondContact O-N 2.77Å; L19-L22 PolarHBondContact O-N 3.38Å; L19-L23 HydrophobicContact CD2-CD1 4.26Å; L19-L23 HydrophobicContact CG-CD1 3.94Å; L19-L23 HydrophobicContact CG-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CB 3.35Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.1Å |
| 20 | N | 88.8 | Confident | 89.4 | Confident | 61 Ų | 61 | 98.5 Ų | 98.5 | 33% | 0.326 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 176.2 | -76.1 | 3.5 | 0 | 0 | 0 | 111.7 | T16 S17 L22 L23 T24 | T16-N20 WeakPolarHBondContact O-CB 3.4Å; T16-N20 PolarHBondContact O-N 3.38Å; S17-N20 PolarHBondContact O-N 2.96Å; N20-L22 PolarHBondContact O-N 2.92Å; N20-L23 PolarHBondContact O-N 3.39Å; N20-T24 WeakPolarHBondContact O-CB 3.44Å; N20-T24 PolarHBondContact O-N 3.48Å; N20-T24 PolarHBondContact O-OG1 2.81Å |
| 21 | E | 93.3 | Very high | 88.8 | Confident | 107 Ų | 107 | 99.7 Ų | 99.7 | 50% | 0.5 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 175 | -170 | -171.9 | 161.8 | 0 | 0 | 112 | S17 R18 K25 | S17-E21 WeakPolarHBondContact O-CB 3.44Å; S17-E21 PolarHBondContact O-N 2.85Å; R18-E21 PolarHBondContact O-N 2.83Å; E21-K25 HydrophobicContact CG-CD 4.47Å; E21-K25 WeakPolarHBondContact O-CG 3.46Å; E21-K25 PolarHBondContact O-N 2.89Å; E21-K25 VanDerWaalsContact O-N 3.1Å; E21-K25 WeakPolarHBondContact OE1-CE 3.32Å; E21-K25 IonicContact OE1-NZ 2.78Å; E21-K25 PolarHBondContact OE1-NZ 2.88Å |
| 22 | L | 92.5 | Very high | 88.3 | Confident | 122 Ų | 122 | 98.1 Ų | 98.1 | 64% | 0.639 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68 | -39.3 | 175.5 | -76 | 163.8 | 0 | 0 | 0 | 112.5 | R18 L19 N20 G26 | R18-L22 WeakPolarHBondContact O-CB 3.3Å; R18-L22 WeakPolarHBondContact O-CG 3.43Å; R18-L22 PolarHBondContact O-N 3.17Å; L19-L22 PolarHBondContact O-N 3.38Å; N20-L22 PolarHBondContact O-N 2.92Å; L22-G26 PolarHBondContact O-N 3.25Å |
| 23 | L | 86.2 | Confident | 87.6 | Confident | 69 Ų | 69 | 98.7 Ų | 98.7 | 36% | 0.361 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 176.6 | -76.2 | 168.9 | 0 | 0 | 0 | 111.7 | L19 N20 G26 L27 | L19-L23 HydrophobicContact CD2-CD1 4.26Å; L19-L23 HydrophobicContact CG-CD1 3.94Å; L19-L23 HydrophobicContact CG-CG 4.43Å; L19-L23 WeakPolarHBondContact O-CB 3.35Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.31Å; L19-L23 PolarHBondContact O-N 3.1Å; N20-L23 PolarHBondContact O-N 3.39Å; L23-G26 PolarHBondContact O-N 2.9Å; L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.3Å |
| 24 | T | 87.1 | Confident | 86.4 | Confident | 55 Ų | 55 | 97.6 Ų | 97.6 | 34% | 0.337 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.1 | -50 | 175.7 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | N20 G26 L27 E28 | N20-T24 WeakPolarHBondContact O-CB 3.44Å; N20-T24 PolarHBondContact O-N 3.48Å; N20-T24 PolarHBondContact O-OG1 2.81Å; T24-G26 VanDerWaalsContact C-N 3.33Å; T24-G26 PolarHBondContact O-N 3.42Å; T24-L27 PolarHBondContact O-N 3.46Å; T24-E28 HydrophobicContact CG2-CG 4.4Å; T24-E28 WeakPolarHBondContact O-CB 3.44Å; T24-E28 VanDerWaalsContact O-CG 3.32Å; T24-E28 WeakPolarHBondContact O-CG 3.34Å; T24-E28 PolarHBondContact O-N 3.45Å |
| 25 | K | 89.1 | Confident | 84.8 | Confident | 112 Ų | 112 | 95.7 Ų | 95.7 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.5 | -38.6 | 177.2 | -69.4 | 174.1 | -171 | 175.1 | 0 | 112.7 | E21 W29 | E21-K25 HydrophobicContact CG-CD 4.47Å; E21-K25 WeakPolarHBondContact O-CG 3.46Å; E21-K25 PolarHBondContact O-N 2.89Å; E21-K25 VanDerWaalsContact O-N 3.1Å; E21-K25 WeakPolarHBondContact OE1-CE 3.32Å; E21-K25 IonicContact OE1-NZ 2.78Å; E21-K25 PolarHBondContact OE1-NZ 2.88Å; K25-W29 VanDerWaalsContact O-CB 3.3Å; K25-W29 WeakPolarHBondContact O-CB 3.23Å; K25-W29 PolarHBondContact O-N 2.81Å |
| 26 | G | 87.9 | Confident | 83.4 | Confident | 34 Ų | 34 | 94 Ų | 94 | 35% | 0.351 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L22 L23 T24 L30 | L22-G26 PolarHBondContact O-N 3.25Å; L23-G26 PolarHBondContact O-N 2.9Å; T24-G26 VanDerWaalsContact C-N 3.33Å; T24-G26 PolarHBondContact O-N 3.42Å; G26-L30 WeakPolarHBondContact O-CB 3.35Å; G26-L30 PolarHBondContact O-N 2.97Å |
| 27 | L | 80.8 | Confident | 81.9 | Confident | 49 Ų | 49 | 95.2 Ų | 95.2 | 26% | 0.257 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -74 | -40.7 | 176 | -177.6 | 62.5 | 0 | 0 | 0 | 111.8 | L23 T24 W29 L30 R31 V38 | L23-L27 WeakPolarHBondContact O-CB 3.43Å; L23-L27 PolarHBondContact O-N 3.3Å; T24-L27 PolarHBondContact O-N 3.46Å; L27-W29 VanDerWaalsContact C-N 3.34Å; L27-L30 PolarHBondContact O-N 3.41Å; L27-R31 VanDerWaalsContact O-CB 3.29Å; L27-R31 WeakPolarHBondContact O-CB 3.41Å; L27-R31 PolarHBondContact O-N 2.86Å; L27-V38 HydrophobicContact CD1-CB 3.87Å; L27-V38 HydrophobicContact CD1-CG2 3.47Å; L27-V38 VanDerWaalsContact CD1-CG2 3.47Å |
| 28 | E | 83.8 | Confident | 80.4 | Confident | 117 Ų | 117 | 95 Ų | 95 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 171.2 | -73.5 | 170 | 163.4 | 0 | 0 | 111.2 | T24 R31 S32 | T24-E28 HydrophobicContact CG2-CG 4.4Å; T24-E28 WeakPolarHBondContact O-CB 3.44Å; T24-E28 VanDerWaalsContact O-CG 3.32Å; T24-E28 WeakPolarHBondContact O-CG 3.34Å; T24-E28 PolarHBondContact O-N 3.45Å; E28-R31 PolarHBondContact O-N 3.34Å; E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3.49Å |
| 29 | W | 84.9 | Confident | 78.6 | Confident | 142 Ų | 142 | 89.3 Ų | 89.3 | 54% | 0.538 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -44.2 | 174.8 | -174.7 | 73.4 | 0 | 0 | 0 | 112.4 | K25 L27 R31 S32 E33 F34 | K25-W29 VanDerWaalsContact O-CB 3.3Å; K25-W29 WeakPolarHBondContact O-CB 3.23Å; K25-W29 PolarHBondContact O-N 2.81Å; L27-W29 VanDerWaalsContact C-N 3.34Å; W29-R31 VanDerWaalsContact C-N 3.3Å; W29-R31 PolarHBondContact O-N 2.82Å; W29-S32 PolarHBondContact O-N 3.38Å; W29-E33 HydrophobicContact CD2-CG 4.11Å; W29-E33 HydrophobicContact CG-CG 4.29Å; W29-E33 HydrophobicContact CZ2-CG 3.88Å; W29-E33 VanDerWaalsContact NE1-CG 3.3Å; W29-E33 PolarHBondContact O-N 2.87Å; W29-F34 HydrophobicContact CH2-CE2 4.12Å; W29-F34 HydrophobicContact CZ3-CE2 4.21Å |
| 30 | L | 80.8 | Confident | 76.8 | Confident | 67 Ų | 67 | 88.9 Ų | 88.9 | 35% | 0.351 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.8 | -42.5 | 173 | -118.2 | 69.2 | 0 | 0 | 0 | 112.2 | G26 L27 S32 F34 V38 | G26-L30 WeakPolarHBondContact O-CB 3.35Å; G26-L30 PolarHBondContact O-N 2.97Å; L27-L30 PolarHBondContact O-N 3.41Å; L30-S32 VanDerWaalsContact C-N 3.34Å; L30-F34 WeakPolarHBondContact O-CB 3.48Å; L30-F34 PolarHBondContact O-N 3.35Å; L30-V38 HydrophobicContact CD2-CG2 4.29Å |
| 31 | R | 79 | Confident | 75.3 | Confident | 149 Ų | 149 | 93.3 Ų | 93.3 | 56% | 0.562 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67 | -35.3 | 178.1 | -168.9 | -179.3 | -164.8 | -123.7 | 1.1 | 112 | L27 E28 W29 G35 D37 | L27-R31 VanDerWaalsContact O-CB 3.29Å; L27-R31 WeakPolarHBondContact O-CB 3.41Å; L27-R31 PolarHBondContact O-N 2.86Å; E28-R31 PolarHBondContact O-N 3.34Å; W29-R31 VanDerWaalsContact C-N 3.3Å; W29-R31 PolarHBondContact O-N 2.82Å; R31-G35 WeakPolarHBondContact O-CA 3.35Å; R31-D37 HydrophobicContact CG-CB 4.15Å; R31-D37 IonicContact CZ-OD2 2.71Å; R31-D37 IonicContact NE-OD1 2.61Å; R31-D37 IonicContact NE-OD2 3.18Å; R31-D37 PolarHBondContact NE-OD2 3.33Å; R31-D37 IonicContact NH2-OD2 3.62Å; R31-D37 PolarHBondContact NH2-OD2 3.31Å |
| 32 | S | 79.9 | Confident | 73.7 | Confident | 96 Ų | 96 | 90.3 Ų | 90.3 | 67% | 0.671 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -78.1 | -44.2 | -179.4 | -167.5 | 0 | 0 | 0 | 0 | 113.3 | E28 W29 L30 | E28-S32 WeakPolarHBondContact O-CB 3.45Å; E28-S32 PolarHBondContact O-N 3.49Å; W29-S32 PolarHBondContact O-N 3.38Å; L30-S32 VanDerWaalsContact C-N 3.34Å |
| 33 | E | 78.8 | Confident | 72.2 | Confident | 123 Ų | 123 | 92.8 Ų | 92.8 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -88.4 | -43.7 | -174.5 | -64.4 | -63.1 | 154.4 | 0 | 0 | 113.1 | W29 | W29-E33 HydrophobicContact CD2-CG 4.11Å; W29-E33 HydrophobicContact CG-CG 4.29Å; W29-E33 HydrophobicContact CZ2-CG 3.88Å; W29-E33 VanDerWaalsContact NE1-CG 3.3Å; W29-E33 PolarHBondContact O-N 2.87Å |
| 34 | F | 67.1 | Low | 71 | Confident | 141 Ų | 141 | 96.4 Ų | 96.4 | 62% | 0.618 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -97.5 | -7.7 | -174.2 | -72 | -90.1 | 0 | 0 | 0 | 113.2 | W29 L30 V36 | W29-F34 HydrophobicContact CH2-CE2 4.12Å; W29-F34 HydrophobicContact CZ3-CE2 4.21Å; L30-F34 WeakPolarHBondContact O-CB 3.48Å; L30-F34 PolarHBondContact O-N 3.35Å; F34-V36 HydrophobicContact CB-CB 4.41Å; F34-V36 HydrophobicContact CB-CG2 4Å; F34-V36 PolarHBondContact O-N 3.29Å |
| 35 | G | 60.2 | Low | 69.9 | Low | 60 Ų | 60 | 95.3 Ų | 95.3 | 62% | 0.619 | 50% | 0.504 | S | S | * | . | | | trans | 63.7 | 1.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | R31 D37 | R31-G35 WeakPolarHBondContact O-CA 3.35Å; G35-D37 VanDerWaalsContact C-N 3.28Å; G35-D37 PolarHBondContact O-N 2.93Å |
| 36 | V | 64.2 | Low | 69.4 | Low | 80 Ų | 80 | 93.3 Ų | 93.3 | 49% | 0.485 | 50% | 0.502 | S | S | . | . | | | trans | -78.6 | 82 | 179.2 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | F34 V38 | F34-V36 HydrophobicContact CB-CB 4.41Å; F34-V36 HydrophobicContact CB-CG2 4Å; F34-V36 PolarHBondContact O-N 3.29Å; V36-V38 VanDerWaalsContact C-N 3.27Å; V36-V38 HydrophobicContact CG1-CG2 4.18Å; V36-V38 WeakPolarHBondContact O-CG2 3.28Å; V36-V38 PolarHBondContact O-N 2.92Å |
| 37 | D | 57.8 | Low | 68.9 | Low | 85 Ų | 85 | 96.4 Ų | 96.4 | 46% | 0.455 | 52% | 0.516 | S | S | . | . | | | trans | -65.8 | 93.1 | 162.7 | -166.6 | -14.7 | 0 | 0 | 0 | 108.6 | R31 G35 G39 | R31-D37 HydrophobicContact CG-CB 4.15Å; R31-D37 IonicContact CZ-OD2 2.71Å; R31-D37 IonicContact NE-OD1 2.61Å; R31-D37 IonicContact NE-OD2 3.18Å; R31-D37 PolarHBondContact NE-OD2 3.33Å; R31-D37 IonicContact NH2-OD2 3.62Å; R31-D37 PolarHBondContact NH2-OD2 3.31Å; G35-D37 VanDerWaalsContact C-N 3.28Å; G35-D37 PolarHBondContact O-N 2.93Å; D37-G39 PolarHBondContact O-N 3.11Å; D37-G39 VanDerWaalsContact O-N 3.1Å; D37-G39 PolarHBondContact OD1-N 2.85Å |
| 38 | V | 62.1 | Low | 68.9 | Low | 59 Ų | 59 | 104 Ų | 104 | 36% | 0.358 | 54% | 0.542 | S | S | . | . | | | trans | -63.5 | -16.2 | -179.2 | -153.7 | 0 | 0 | 0 | 0 | 110.8 | L27 L30 V36 L40 | L27-V38 HydrophobicContact CD1-CB 3.87Å; L27-V38 HydrophobicContact CD1-CG2 3.47Å; L27-V38 VanDerWaalsContact CD1-CG2 3.47Å; L30-V38 HydrophobicContact CD2-CG2 4.29Å; V36-V38 VanDerWaalsContact C-N 3.27Å; V36-V38 HydrophobicContact CG1-CG2 4.18Å; V36-V38 WeakPolarHBondContact O-CG2 3.28Å; V36-V38 PolarHBondContact O-N 2.92Å; V38-L40 HydrophobicContact CG1-CB 4.38Å; V38-L40 HydrophobicContact CG1-CD1 3.77Å; V38-L40 HydrophobicContact CG1-CG 3.97Å; V38-L40 PolarHBondContact O-N 2.88Å |
| 39 | G | 53.4 | Low | 68.9 | Low | 58 Ų | 58 | 102.8 Ų | 102.8 | 60% | 0.598 | 54% | 0.538 | S | S | * | . | | | trans | 64.6 | -9.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | D37 K41 | D37-G39 PolarHBondContact O-N 3.11Å; D37-G39 VanDerWaalsContact O-N 3.1Å; D37-G39 PolarHBondContact OD1-N 2.85Å; G39-K41 PolarHBondContact O-N 2.96Å |
| 40 | L | 56 | Low | 68.6 | Low | 80 Ų | 80 | 99.6 Ų | 99.6 | 42% | 0.419 | 53% | 0.531 | S | S | . | . | | | trans | -73.9 | 90.1 | -176.6 | -72.1 | -177.8 | 0 | 0 | 0 | 111.1 | V38 P42 I45 | V38-L40 HydrophobicContact CG1-CB 4.38Å; V38-L40 HydrophobicContact CG1-CD1 3.77Å; V38-L40 HydrophobicContact CG1-CG 3.97Å; V38-L40 PolarHBondContact O-N 2.88Å; L40-P42 WeakPolarHBondContact O-CD 3.44Å; L40-I45 HydrophobicContact CB-CD1 3.76Å; L40-I45 HydrophobicContact CB-CG1 3.89Å; L40-I45 HydrophobicContact CD1-CD1 4.19Å; L40-I45 HydrophobicContact CD1-CG1 4.41Å; L40-I45 HydrophobicContact CD2-CG1 4.42Å; L40-I45 HydrophobicContact CG-CG1 4.47Å |
| 41 | K | 57.1 | Low | 68.8 | Low | 155 Ų | 155 | 101.3 Ų | 101.3 | 67% | 0.674 | 54% | 0.54 | S | S | * | . | | | trans | -51.3 | 119.6 | 164 | -65.3 | 178.5 | -179.6 | 177.9 | 0 | 108.6 | G39 E43 L44 I45 | G39-K41 PolarHBondContact O-N 2.96Å; K41-E43 PolarHBondContact O-N 3.42Å; K41-E43 VanDerWaalsContact O-N 3.15Å; K41-L44 HydrophobicContact CB-CB 4.34Å; K41-L44 PolarHBondContact O-N 2.85Å; K41-I45 PolarHBondContact O-N 3.32Å |
| 42 | P | 59.8 | Low | 69.1 | Low | 44 Ų | 44 | 100 Ų | 100 | 29% | 0.286 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -60.5 | -30.3 | -173.6 | 21.1 | -32.1 | 0 | 0 | 0 | 113 | L40 L44 I45 | L40-P42 WeakPolarHBondContact O-CD 3.44Å; P42-L44 PolarHBondContact O-N 2.61Å; P42-I45 PolarHBondContact O-N 3.02Å |
| 43 | E | 61.2 | Low | 69.4 | Low | 174 Ų | 174 | 98.2 Ų | 98.2 | 81% | 0.813 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -54.5 | -27 | 170.2 | -66.4 | -87.8 | 106.7 | 0 | 0 | 114.4 | K41 | K41-E43 PolarHBondContact O-N 3.42Å; K41-E43 VanDerWaalsContact O-N 3.15Å |
| 44 | L | 61.1 | Low | 69.9 | Low | 145 Ų | 145 | 95.3 Ų | 95.3 | 76% | 0.759 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -113 | -1.6 | -171 | -144.5 | 75.6 | 0 | 0 | 0 | 113.5 | K41 P42 P46 | K41-L44 HydrophobicContact CB-CB 4.34Å; K41-L44 PolarHBondContact O-N 2.85Å; P42-L44 PolarHBondContact O-N 2.61Å; L44-P46 WeakPolarHBondContact O-CD 3.28Å |
| 45 | I | 64.1 | Low | 70.7 | Confident | 32 Ų | 32 | 91.4 Ų | 91.4 | 16% | 0.164 | 52% | 0.521 | C | S | . | . | S | Bend | trans | -79 | 118.6 | 174.6 | -47.5 | 175.4 | 0 | 0 | 0 | 108.2 | L40 K41 P42 I49 I50 | L40-I45 HydrophobicContact CB-CD1 3.76Å; L40-I45 HydrophobicContact CB-CG1 3.89Å; L40-I45 HydrophobicContact CD1-CD1 4.19Å; L40-I45 HydrophobicContact CD1-CG1 4.41Å; L40-I45 HydrophobicContact CD2-CG1 4.42Å; L40-I45 HydrophobicContact CG-CG1 4.47Å; K41-I45 PolarHBondContact O-N 3.32Å; P42-I45 PolarHBondContact O-N 3.02Å; I45-I49 HydrophobicContact CG2-CB 3.95Å; I45-I49 HydrophobicContact CG2-CG2 4.25Å; I45-I50 HydrophobicContact CB-CD1 4.33Å; I45-I50 HydrophobicContact CB-CG1 4.31Å; I45-I50 HydrophobicContact CG2-CD1 4.2Å; I45-I50 HydrophobicContact CG2-CG1 3.64Å |
| 46 | P | 77.8 | Confident | 72 | Confident | 69 Ų | 69 | 91.4 Ų | 91.4 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | | | trans | -58.3 | 131.1 | 170.5 | -20.6 | 32.7 | 0 | 0 | 0 | 109 | L44 W48 I49 | L44-P46 WeakPolarHBondContact O-CD 3.28Å; P46-W48 PolarHBondContact O-N 3.42Å; P46-I49 HydrophobicContact CB-CG1 4.35Å; P46-I49 HydrophobicContact CG-CD1 4.14Å; P46-I49 HydrophobicContact CG-CG1 4.33Å; P46-I49 PolarHBondContact O-N 3.29Å |
| 47 | P | 77.6 | Confident | 73.4 | Confident | 100 Ų | 100 | 89.3 Ų | 89.3 | 65% | 0.649 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -55.2 | -22 | -177.3 | -29.9 | 36 | 0 | 0 | 0 | 114.3 | I50 L51 | P47-I50 PolarHBondContact O-N 3.4Å; P47-L51 WeakPolarHBondContact O-CB 3.38Å; P47-L51 PolarHBondContact O-N 3.15Å |
| 48 | W | 79.7 | Confident | 75.1 | Confident | 209 Ų | 209 | 90.8 Ų | 90.8 | 79% | 0.792 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.9 | -30.7 | 174.6 | -65.2 | 14.8 | 0 | 0 | 0 | 113.1 | P46 L51 L52 | P46-W48 PolarHBondContact O-N 3.42Å; W48-L51 PolarHBondContact O-N 2.93Å; W48-L52 WeakPolarHBondContact O-CB 3.34Å; W48-L52 VanDerWaalsContact O-CD1 3.23Å; W48-L52 WeakPolarHBondContact O-CD1 3.5Å; W48-L52 PolarHBondContact O-N 3.02Å |
| 49 | I | 84.6 | Confident | 76.6 | Confident | 91 Ų | 91 | 93.8 Ų | 93.8 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 174.2 | -59.7 | -169.7 | 0 | 0 | 0 | 110 | I45 P46 L51 L52 A53 | I45-I49 HydrophobicContact CG2-CB 3.95Å; I45-I49 HydrophobicContact CG2-CG2 4.25Å; P46-I49 HydrophobicContact CB-CG1 4.35Å; P46-I49 HydrophobicContact CG-CD1 4.14Å; P46-I49 HydrophobicContact CG-CG1 4.33Å; P46-I49 PolarHBondContact O-N 3.29Å; I49-L51 VanDerWaalsContact C-N 3.31Å; I49-L51 PolarHBondContact O-N 3.45Å; I49-L52 PolarHBondContact O-N 2.82Å; I49-A53 WeakPolarHBondContact O-CB 3.29Å; I49-A53 PolarHBondContact O-N 3.38Å |
| 50 | I | 79.5 | Confident | 78.5 | Confident | 74 Ų | 74 | 96.9 Ų | 96.9 | 38% | 0.379 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 173 | -52.8 | 178.9 | 0 | 0 | 0 | 110 | I45 P47 A53 A54 | I45-I50 HydrophobicContact CB-CD1 4.33Å; I45-I50 HydrophobicContact CB-CG1 4.31Å; I45-I50 HydrophobicContact CG2-CD1 4.2Å; I45-I50 HydrophobicContact CG2-CG1 3.64Å; P47-I50 PolarHBondContact O-N 3.4Å; I50-A53 PolarHBondContact O-N 3.05Å; I50-A54 WeakPolarHBondContact O-CB 3.49Å; I50-A54 PolarHBondContact O-N 3.31Å |
| 51 | L | 83.1 | Confident | 80.4 | Confident | 104 Ų | 104 | 98.4 Ų | 98.4 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 175.9 | -173.7 | 61.6 | 0 | 0 | 0 | 112.5 | P47 W48 I49 A54 C55 | P47-L51 WeakPolarHBondContact O-CB 3.38Å; P47-L51 PolarHBondContact O-N 3.15Å; W48-L51 PolarHBondContact O-N 2.93Å; I49-L51 VanDerWaalsContact C-N 3.31Å; I49-L51 PolarHBondContact O-N 3.45Å; L51-A54 PolarHBondContact O-N 2.84Å; L51-C55 VanDerWaalsContact O-CB 3.28Å; L51-C55 WeakPolarHBondContact O-CB 3.24Å; L51-C55 PolarHBondContact O-N 3.43Å; L51-C55 PolarHBondContact O-SG 2.89Å |
| 52 | L | 86.1 | Confident | 82.1 | Confident | 122 Ų | 122 | 95.1 Ų | 95.1 | 64% | 0.639 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 174.8 | -102 | 68.5 | 0 | 0 | 0 | 111.7 | W48 I49 C55 S56 | W48-L52 WeakPolarHBondContact O-CB 3.34Å; W48-L52 VanDerWaalsContact O-CD1 3.23Å; W48-L52 WeakPolarHBondContact O-CD1 3.5Å; W48-L52 PolarHBondContact O-N 3.02Å; I49-L52 PolarHBondContact O-N 2.82Å; L52-C55 PolarHBondContact O-N 2.92Å; L52-S56 WeakPolarHBondContact O-CB 3.29Å; L52-S56 PolarHBondContact O-N 3.08Å; L52-S56 PolarHBondContact O-OG 2.86Å |
| 53 | A | 86.5 | Confident | 83.6 | Confident | 58 Ų | 58 | 95.9 Ų | 95.9 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | I49 I50 S56 G57 | I49-A53 WeakPolarHBondContact O-CB 3.29Å; I49-A53 PolarHBondContact O-N 3.38Å; I50-A53 PolarHBondContact O-N 3.05Å; A53-S56 PolarHBondContact O-N 3.29Å; A53-S56 PolarHBondContact O-OG 3.44Å; A53-G57 PolarHBondContact O-N 2.88Å |
| 54 | A | 88.1 | Confident | 85.2 | Confident | 61 Ų | 61 | 93 Ų | 93 | 50% | 0.504 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I50 L51 L58 | I50-A54 WeakPolarHBondContact O-CB 3.49Å; I50-A54 PolarHBondContact O-N 3.31Å; L51-A54 PolarHBondContact O-N 2.84Å; A54-L58 WeakPolarHBondContact O-CB 3.28Å; A54-L58 PolarHBondContact O-N 3.13Å |
| 55 | C | 84.5 | Confident | 86.8 | Confident | 60 Ų | 60 | 94.7 Ų | 94.7 | 41% | 0.405 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 175.4 | -76.1 | 0 | 0 | 0 | 0 | 112.7 | L51 L52 L58 L59 | L51-C55 VanDerWaalsContact O-CB 3.28Å; L51-C55 WeakPolarHBondContact O-CB 3.24Å; L51-C55 PolarHBondContact O-N 3.43Å; L51-C55 PolarHBondContact O-SG 2.89Å; L52-C55 PolarHBondContact O-N 2.92Å; C55-L58 PolarHBondContact O-N 3.26Å; C55-L59 WeakPolarHBondContact O-CB 3.5Å; C55-L59 VanDerWaalsContact O-CG 3.23Å; C55-L59 WeakPolarHBondContact O-CG 3.25Å; C55-L59 PolarHBondContact O-N 3.24Å |
| 56 | S | 87.3 | Confident | 88.1 | Confident | 59 Ų | 59 | 94.9 Ų | 94.9 | 41% | 0.413 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.7 | -41.4 | 175.8 | 66.7 | 0 | 0 | 0 | 0 | 111.3 | L52 A53 L58 L59 L60 | L52-S56 WeakPolarHBondContact O-CB 3.29Å; L52-S56 PolarHBondContact O-N 3.08Å; L52-S56 PolarHBondContact O-OG 2.86Å; A53-S56 PolarHBondContact O-N 3.29Å; A53-S56 PolarHBondContact O-OG 3.44Å; S56-L58 PolarHBondContact O-N 3.46Å; S56-L59 PolarHBondContact O-N 2.93Å; S56-L60 WeakPolarHBondContact O-CB 3.37Å; S56-L60 VanDerWaalsContact O-CG 3.26Å; S56-L60 WeakPolarHBondContact O-CG 3.42Å; S56-L60 PolarHBondContact O-N 2.81Å |
| 57 | G | 93.4 | Very high | 88.6 | Confident | 36 Ų | 36 | 94.8 Ų | 94.8 | 37% | 0.371 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.6 | -46.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A53 L60 M61 | A53-G57 PolarHBondContact O-N 2.88Å; G57-L60 PolarHBondContact O-N 2.88Å; G57-M61 PolarHBondContact O-N 3.31Å |
| 58 | L | 94.4 | Very high | 89.1 | Confident | 116 Ų | 116 | 93.9 Ų | 93.9 | 61% | 0.607 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -42.5 | 176.3 | -174.9 | 65.3 | 0 | 0 | 0 | 112.3 | A54 C55 S56 M61 V62 | A54-L58 WeakPolarHBondContact O-CB 3.28Å; A54-L58 PolarHBondContact O-N 3.13Å; C55-L58 PolarHBondContact O-N 3.26Å; S56-L58 PolarHBondContact O-N 3.46Å; L58-M61 PolarHBondContact O-N 2.58Å; L58-V62 WeakPolarHBondContact O-CG2 3.39Å; L58-V62 PolarHBondContact O-N 3.33Å |
| 59 | L | 93.4 | Very high | 89.2 | Confident | 123 Ų | 123 | 85.7 Ų | 85.7 | 64% | 0.644 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.1 | -39.9 | 176.2 | -76.8 | 168 | 0 | 0 | 0 | 112 | C55 S56 V62 A63 | C55-L59 WeakPolarHBondContact O-CB 3.5Å; C55-L59 VanDerWaalsContact O-CG 3.23Å; C55-L59 WeakPolarHBondContact O-CG 3.25Å; C55-L59 PolarHBondContact O-N 3.24Å; S56-L59 PolarHBondContact O-N 2.93Å; L59-V62 PolarHBondContact O-N 2.78Å; L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.44Å; L59-A63 PolarHBondContact O-N 2.86Å |
| 60 | L | 93.2 | Very high | 88.8 | Confident | 122 Ų | 122 | 90.2 Ų | 90.2 | 64% | 0.639 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | 173.8 | -73 | 169.1 | 0 | 0 | 0 | 111.2 | S56 G57 A63 L64 | S56-L60 WeakPolarHBondContact O-CB 3.37Å; S56-L60 VanDerWaalsContact O-CG 3.26Å; S56-L60 WeakPolarHBondContact O-CG 3.42Å; S56-L60 PolarHBondContact O-N 2.81Å; G57-L60 PolarHBondContact O-N 2.88Å; L60-A63 PolarHBondContact O-N 3.33Å; L60-L64 VanDerWaalsContact O-CB 3.31Å; L60-L64 WeakPolarHBondContact O-CB 3.23Å; L60-L64 PolarHBondContact O-N 2.99Å |
| 61 | M | 95.3 | Very high | 88.2 | Confident | 113 Ų | 113 | 90.6 Ų | 90.6 | 56% | 0.557 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.8 | -46.3 | 174.7 | -120.5 | -63.6 | 172.4 | 0 | 0 | 111.8 | G57 L58 A63 L64 W65 | G57-M61 PolarHBondContact O-N 3.31Å; L58-M61 PolarHBondContact O-N 2.58Å; M61-A63 PolarHBondContact O-N 2.86Å; M61-L64 PolarHBondContact O-N 3.05Å; M61-W65 VanDerWaalsContact O-CB 3.27Å; M61-W65 WeakPolarHBondContact O-CB 3.34Å; M61-W65 PolarHBondContact O-N 3.46Å |
| 62 | V | 93.4 | Very high | 87.5 | Confident | 86 Ų | 86 | 90.6 Ų | 90.6 | 52% | 0.521 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.8 | -37.8 | 176.5 | 171 | 0 | 0 | 0 | 0 | 111.6 | L58 L59 A66 | L58-V62 WeakPolarHBondContact O-CG2 3.39Å; L58-V62 PolarHBondContact O-N 3.33Å; L59-V62 PolarHBondContact O-N 2.78Å; V62-A66 WeakPolarHBondContact O-CB 3.26Å; V62-A66 PolarHBondContact O-N 2.68Å |
| 63 | A | 91.9 | Very high | 86.2 | Confident | 59 Ų | 59 | 92.3 Ų | 92.3 | 49% | 0.488 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L59 L60 M61 A66 S67 | L59-A63 VanDerWaalsContact O-CB 3.25Å; L59-A63 WeakPolarHBondContact O-CB 3.44Å; L59-A63 PolarHBondContact O-N 2.86Å; L60-A63 PolarHBondContact O-N 3.33Å; M61-A63 PolarHBondContact O-N 2.86Å; A63-A66 PolarHBondContact O-N 3.3Å; A63-S67 WeakPolarHBondContact O-CB 3.35Å; A63-S67 PolarHBondContact O-N 2.89Å |
| 64 | L | 94.7 | Very high | 84.9 | Confident | 115 Ų | 115 | 100.3 Ų | 100.3 | 60% | 0.602 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.4 | -46 | 176.6 | -161.1 | 72.6 | 0 | 0 | 0 | 110.7 | L60 M61 A66 S67 V68 | L60-L64 VanDerWaalsContact O-CB 3.31Å; L60-L64 WeakPolarHBondContact O-CB 3.23Å; L60-L64 PolarHBondContact O-N 2.99Å; M61-L64 PolarHBondContact O-N 3.05Å; L64-A66 PolarHBondContact O-N 2.92Å; L64-S67 WeakPolarHBondContact O-CB 3.31Å; L64-S67 PolarHBondContact O-N 3.13Å; L64-S67 VanDerWaalsContact O-N 3.11Å; L64-V68 WeakPolarHBondContact O-CG2 3.24Å; L64-V68 PolarHBondContact O-N 2.84Å |
| 65 | W | 93.9 | Very high | 83.1 | Confident | 179 Ų | 179 | 105.9 Ų | 105.9 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -59.3 | -44.4 | 173.2 | -166 | -70.6 | 0 | 0 | 0 | 111.6 | M61 S67 V68 C69 | M61-W65 VanDerWaalsContact O-CB 3.27Å; M61-W65 WeakPolarHBondContact O-CB 3.34Å; M61-W65 PolarHBondContact O-N 3.46Å; W65-S67 VanDerWaalsContact C-N 3.3Å; W65-S67 PolarHBondContact O-N 2.85Å; W65-V68 PolarHBondContact O-N 3.3Å; W65-C69 VanDerWaalsContact CD1-SG 3.52Å; W65-C69 WeakPolarHBondContact O-CB 3.35Å; W65-C69 PolarHBondContact O-N 2.88Å; W65-C69 PolarHBondContact O-SG 3.48Å; W65-C69 VanDerWaalsContact O-SG 3.38Å |
| 66 | A | 91.4 | Very high | 81.3 | Confident | 36 Ų | 36 | 113.1 Ų | 113.1 | 30% | 0.298 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.1 | -32.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V62 A63 L64 R70 | V62-A66 WeakPolarHBondContact O-CB 3.26Å; V62-A66 PolarHBondContact O-N 2.68Å; A63-A66 PolarHBondContact O-N 3.3Å; L64-A66 PolarHBondContact O-N 2.92Å; A66-R70 VanDerWaalsContact O-CB 3.31Å; A66-R70 WeakPolarHBondContact O-CB 3.37Å; A66-R70 WeakPolarHBondContact O-CD 3.44Å; A66-R70 WeakPolarHBondContact O-CG 3.42Å; A66-R70 PolarHBondContact O-N 2.8Å |
| 67 | S | 88.4 | Confident | 79.1 | Confident | 67 Ų | 67 | 115.9 Ų | 115.9 | 47% | 0.469 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.2 | -49.2 | 173.5 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | A63 L64 W65 C69 R70 T71 | A63-S67 WeakPolarHBondContact O-CB 3.35Å; A63-S67 PolarHBondContact O-N 2.89Å; L64-S67 WeakPolarHBondContact O-CB 3.31Å; L64-S67 PolarHBondContact O-N 3.13Å; L64-S67 VanDerWaalsContact O-N 3.11Å; W65-S67 VanDerWaalsContact C-N 3.3Å; W65-S67 PolarHBondContact O-N 2.85Å; S67-C69 PolarHBondContact O-N 3.45Å; S67-R70 WeakPolarHBondContact O-CB 3.36Å; S67-R70 PolarHBondContact O-N 3.32Å; S67-R70 VanDerWaalsContact O-N 3.14Å; S67-T71 PolarHBondContact O-N 3.32Å |
| 68 | V | 88.9 | Confident | 76.5 | Confident | 82 Ų | 82 | 118.6 Ų | 118.6 | 50% | 0.497 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -55.7 | -54.4 | 173.5 | 172.7 | 0 | 0 | 0 | 0 | 109.9 | L64 W65 R70 T71 I72 | L64-V68 WeakPolarHBondContact O-CG2 3.24Å; L64-V68 PolarHBondContact O-N 2.84Å; W65-V68 PolarHBondContact O-N 3.3Å; V68-R70 VanDerWaalsContact C-N 3.32Å; V68-R70 PolarHBondContact O-N 3.06Å; V68-T71 PolarHBondContact O-N 2.91Å; V68-T71 PolarHBondContact O-OG1 3.29Å; V68-I72 WeakPolarHBondContact O-CG1 3.35Å; V68-I72 PolarHBondContact O-N 2.82Å |
| 69 | C | 80.9 | Confident | 73.8 | Confident | 36 Ų | 36 | 120 Ų | 120 | 24% | 0.243 | 61% | 0.614 | C | S | . | * | H | α-helix | trans | -53.7 | -43.8 | 175.1 | -74.8 | 0 | 0 | 0 | 0 | 112.7 | W65 S67 T71 I72 F73 | W65-C69 VanDerWaalsContact CD1-SG 3.52Å; W65-C69 WeakPolarHBondContact O-CB 3.35Å; W65-C69 PolarHBondContact O-N 2.88Å; W65-C69 PolarHBondContact O-SG 3.48Å; W65-C69 VanDerWaalsContact O-SG 3.38Å; S67-C69 PolarHBondContact O-N 3.45Å; C69-T71 VanDerWaalsContact C-N 3.32Å; C69-T71 PolarHBondContact O-N 2.83Å; C69-I72 WeakPolarHBondContact O-CG1 3.45Å; C69-I72 PolarHBondContact O-N 3.41Å; C69-F73 HydrophobicContact CB-CD2 4.24Å; C69-F73 WeakPolarHBondContact O-CB 3.17Å; C69-F73 VanDerWaalsContact O-CD2 3.26Å; C69-F73 WeakPolarHBondContact O-CD2 3.27Å; C69-F73 PolarHBondContact O-N 2.87Å |
| 70 | R | 76.7 | Confident | 71 | Confident | 186 Ų | 186 | 119 Ų | 119 | 70% | 0.702 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -61.2 | -38 | 175.7 | -78.2 | 166.5 | -178 | -174.5 | 2.1 | 112.3 | A66 S67 V68 R74 | A66-R70 VanDerWaalsContact O-CB 3.31Å; A66-R70 WeakPolarHBondContact O-CB 3.37Å; A66-R70 WeakPolarHBondContact O-CD 3.44Å; A66-R70 WeakPolarHBondContact O-CG 3.42Å; A66-R70 PolarHBondContact O-N 2.8Å; S67-R70 WeakPolarHBondContact O-CB 3.36Å; S67-R70 PolarHBondContact O-N 3.32Å; S67-R70 VanDerWaalsContact O-N 3.14Å; V68-R70 VanDerWaalsContact C-N 3.32Å; V68-R70 PolarHBondContact O-N 3.06Å; R70-R74 VanDerWaalsContact O-CB 3.24Å; R70-R74 WeakPolarHBondContact O-CB 3.34Å; R70-R74 WeakPolarHBondContact O-CG 3.45Å; R70-R74 PolarHBondContact O-N 2.92Å |
| 71 | T | 66.6 | Low | 68.3 | Low | 83 Ų | 83 | 118.5 Ų | 118.5 | 51% | 0.509 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -73.1 | -36.5 | 177.8 | 63.2 | 0 | 0 | 0 | 0 | 113.9 | S67 V68 C69 K75 | S67-T71 PolarHBondContact O-N 3.32Å; V68-T71 PolarHBondContact O-N 2.91Å; V68-T71 PolarHBondContact O-OG1 3.29Å; C69-T71 VanDerWaalsContact C-N 3.32Å; C69-T71 PolarHBondContact O-N 2.83Å; T71-K75 WeakPolarHBondContact O-CG 3.46Å |
| 72 | I | 69.3 | Low | 65.5 | Low | 103 Ų | 103 | 119.2 Ų | 119.2 | 53% | 0.528 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -75.2 | -40.6 | 173.7 | 53.1 | 173.1 | 0 | 0 | 0 | 112.6 | V68 C69 R74 K75 | V68-I72 WeakPolarHBondContact O-CG1 3.35Å; V68-I72 PolarHBondContact O-N 2.82Å; C69-I72 WeakPolarHBondContact O-CG1 3.45Å; C69-I72 PolarHBondContact O-N 3.41Å; I72-R74 PolarHBondContact O-N 3.49Å; I72-K75 PolarHBondContact O-N 3.41Å; I72-K75 VanDerWaalsContact O-N 3.17Å |
| 73 | F | 57.9 | Low | 62.9 | Low | 158 Ų | 158 | 123.2 Ų | 123.2 | 69% | 0.693 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -73 | -25.6 | 178.7 | -77.6 | -69.1 | 0 | 0 | 0 | 113.5 | C69 K75 | C69-F73 HydrophobicContact CB-CD2 4.24Å; C69-F73 WeakPolarHBondContact O-CB 3.17Å; C69-F73 VanDerWaalsContact O-CD2 3.26Å; C69-F73 WeakPolarHBondContact O-CD2 3.27Å; C69-F73 PolarHBondContact O-N 2.87Å; F73-K75 VanDerWaalsContact C-N 3.27Å; F73-K75 PolarHBondContact O-N 3.39Å |
| 74 | R | 58.8 | Low | 60.1 | Low | 227 Ų | 227 | 127.1 Ų | 127.1 | 86% | 0.857 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -6.3 | 169.3 | -79.4 | -166.6 | 149.5 | -150.6 | -9 | 114.8 | R70 I72 R76 | R70-R74 VanDerWaalsContact O-CB 3.24Å; R70-R74 WeakPolarHBondContact O-CB 3.34Å; R70-R74 WeakPolarHBondContact O-CG 3.45Å; R70-R74 PolarHBondContact O-N 2.92Å; I72-R74 PolarHBondContact O-N 3.49Å; R74-R76 VanDerWaalsContact C-N 3.28Å; R74-R76 PolarHBondContact O-N 2.99Å |
| 75 | K | 51.1 | Low | 57 | Low | 177 Ų | 177 | 125 Ų | 125 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 7.9 | 173.5 | -78.5 | -179.7 | 176.2 | -176.3 | 0 | 114.4 | T71 I72 F73 P77 | T71-K75 WeakPolarHBondContact O-CG 3.46Å; I72-K75 PolarHBondContact O-N 3.41Å; I72-K75 VanDerWaalsContact O-N 3.17Å; F73-K75 VanDerWaalsContact C-N 3.27Å; F73-K75 PolarHBondContact O-N 3.39Å; K75-P77 WeakPolarHBondContact O-CD 3.48Å |
| 76 | R | 45.6 | Very low | 54.3 | Low | 213 Ų | 213 | 121.8 Ų | 121.8 | 80% | 0.804 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -87.9 | 108.5 | 155.2 | -74.4 | -170.4 | 178.8 | -175.8 | 1.1 | 108.7 | R74 A78 | R74-R76 VanDerWaalsContact C-N 3.28Å; R74-R76 PolarHBondContact O-N 2.99Å; R76-A78 PolarHBondContact O-N 3.08Å; R76-A78 VanDerWaalsContact O-N 3.12Å |
| 77 | P | 42.1 | Very low | 51.5 | Low | 116 Ų | 116 | 129.1 Ų | 129.1 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | | | trans | -64.9 | 115.6 | 171.8 | 26.8 | -32.3 | 0 | 0 | 0 | 108.7 | K75 V79 | K75-P77 WeakPolarHBondContact O-CD 3.48Å; P77-V79 PolarHBondContact O-N 3.07Å |
| 78 | A | 39.6 | Very low | 48.7 | Very low | 94 Ų | 94 | 129.6 Ų | 129.6 | 78% | 0.777 | 72% | 0.716 | S | S | * | * | | | trans | -63.5 | 124.6 | 157.8 | 0 | 0 | 0 | 0 | 0 | 106.5 | R76 S80 | R76-A78 PolarHBondContact O-N 3.08Å; R76-A78 VanDerWaalsContact O-N 3.12Å; A78-S80 PolarHBondContact O-N 3.45Å |
| 79 | V | 36.6 | Very low | 46.2 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 87% | 0.873 | 74% | 0.738 | S | S | * | * | | | trans | -59.4 | 107 | -178.5 | 175.9 | 0 | 0 | 0 | 0 | 108.7 | P77 S81 | P77-V79 PolarHBondContact O-N 3.07Å; V79-S81 PolarHBondContact O-N 3.1Å |
| 80 | S | 35.7 | Very low | 44 | Very low | 103 Ų | 103 | 146.2 Ų | 146.2 | 72% | 0.72 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 129.5 | 166.9 | 46 | 0 | 0 | 0 | 0 | 108.3 | A78 V82 | A78-S80 PolarHBondContact O-N 3.45Å; S80-V82 PolarHBondContact O-N 3.3Å |
| 81 | S | 35.5 | Very low | 41.8 | Very low | 111 Ų | 111 | 141 Ų | 141 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 137.5 | 166.7 | 49.1 | 0 | 0 | 0 | 0 | 109.6 | V79 D83 | V79-S81 PolarHBondContact O-N 3.1Å; S81-D83 PolarHBondContact O-N 3.32Å |
| 82 | V | 36 | Very low | 40.3 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 78% | 0.782 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 127.2 | -174.6 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | S80 D84 | S80-V82 PolarHBondContact O-N 3.3Å; V82-D84 HydrophobicContact CG2-CB 3.83Å |
| 83 | D | 38.4 | Very low | 38.6 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | | | trans | -133.7 | 88.9 | 156.6 | -164.1 | -112.1 | 0 | 0 | 0 | 105 | S81 | S81-D83 PolarHBondContact O-N 3.32Š|
| 84 | D | 35.1 | Very low | 37.4 | Very low | 140 Ų | 140 | 143.5 Ų | 143.5 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | | | trans | -131.5 | 118.3 | -179.6 | -163.4 | -43.5 | 0 | 0 | 0 | 106.6 | V82 | V82-D84 HydrophobicContact CG2-CB 3.83Š|
| 85 | G | 29.4 | Very low | 37 | Very low | 72 Ų | 72 | 138.5 Ų | 138.5 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | -175.1 | 33.2 | -154.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 86 | V | 35.4 | Very low | 35.8 | Very low | 111 Ų | 111 | 137 Ų | 137 | 67% | 0.673 | 81% | 0.808 | S | S | * | * | | | trans | 26.5 | 114.4 | 153.9 | 159.7 | 0 | 0 | 0 | 0 | 118.8 | | |
| 87 | E | 34.2 | Very low | 35.1 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | trans | 50 | 111.2 | 139.7 | -55.2 | 175.9 | -160.9 | 0 | 0 | 120.3 | | |
| 88 | G | 29 | Very low | 34.8 | Very low | 78 Ų | 78 | 135.1 Ų | 135.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -154 | 73.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116 | R90 | G88-R90 PolarHBondContact O-N 3.4Š|
| 89 | K | 36.2 | Very low | 34.2 | Very low | 218 Ų | 218 | 139.4 Ų | 139.4 | 95% | 0.948 | 82% | 0.817 | S | S | * | * | | | trans | -75.3 | 79.8 | -177.1 | -173.3 | -170.4 | 178.7 | 175.7 | 0 | 113.9 | | |
| 90 | R | 35.7 | Very low | 34.1 | Very low | 248 Ų | 248 | 140.1 Ų | 140.1 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | | | trans | -169.7 | 141.4 | 155.2 | -116 | 175.1 | -164.1 | -161.8 | 5.8 | 116.5 | G88 | G88-R90 PolarHBondContact O-N 3.4Š|
| 91 | G | 29.1 | Very low | 34.4 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | | | trans | 81.8 | 109.7 | 130.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 92 | A | 35.1 | Very low | 34.3 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | | | trans | -74.4 | 145.8 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 93 | S | 33.4 | Very low | 34.5 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | | | | 163.8 | 149 | 104.2 | 59.2 | 0 | 0 | 0 | 0 | 115.4 | | |
| 94 | K | 34.2 | Very low | 34.6 | Very low | 195 Ų | 195 | 144.4 Ų | 144.4 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | | | trans | 68.8 | 135.9 | 159.5 | -66.9 | 171.3 | -178.3 | 175.3 | 0 | 119.9 | | |
| 95 | P | 49.3 | Very low | 34.9 | Very low | 121 Ų | 121 | 147.2 Ų | 147.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | | | trans | -94.9 | 155.6 | 161.4 | 37.6 | -32.3 | 0 | 0 | 0 | 112 | | |
| 96 | V | 26.8 | Very low | 35.4 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | | | trans | -163.5 | 152.9 | 146.5 | 125.9 | 0 | 0 | 0 | 0 | 113 | | |
| 97 | K | 30.6 | Very low | 35.5 | Very low | 189 Ų | 189 | 156.1 Ų | 156.1 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | -41.6 | 136.8 | -171.2 | -60.2 | 173.3 | 176.3 | 177.9 | 0 | 120.4 | | |
| 98 | A | 34.5 | Very low | 35.7 | Very low | 101 Ų | 101 | 151.5 Ų | 151.5 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | | | | 62.9 | 131.4 | 120.1 | 0 | 0 | 0 | 0 | 0 | 123.3 | | |
| 99 | E | 27.1 | Very low | 36.1 | Very low | 185 Ų | 185 | 156.9 Ų | 156.9 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | | | | -141.4 | 141.8 | 126.2 | -166.7 | 168.1 | 121.8 | 0 | 0 | 110.1 | | |
| 100 | E | 34.7 | Very low | 36.1 | Very low | 158 Ų | 158 | 156 Ų | 156 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | | | trans | -121.8 | 140.8 | 169.3 | -170.1 | -128.6 | 119.5 | 0 | 0 | 107.8 | K102 | E100-K102 PolarHBondContact OE1-N 3.07Š|
| 101 | P | 42.2 | Very low | 36.4 | Very low | 82 Ų | 82 | 154.2 Ų | 154.2 | 53% | 0.532 | 80% | 0.801 | S | S | . | * | | | | -149.8 | 136.9 | 125 | 30.5 | -11.5 | 0 | 0 | 0 | 117.3 | | |
| 102 | K | 32.8 | Very low | 36.8 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 70% | 0.704 | 80% | 0.802 | S | S | * | * | | | trans | 63.9 | 119.5 | 131.2 | -61.4 | 166.5 | -169 | 155.4 | 0 | 116.9 | E100 | E100-K102 PolarHBondContact OE1-N 3.07Š|
| 103 | K | 41.2 | Very low | 37 | Very low | 176 Ų | 176 | 159.6 Ų | 159.6 | 77% | 0.765 | 81% | 0.805 | S | S | * | * | | | | -167.4 | 144.9 | 54.1 | -97.4 | 118.6 | 176.4 | -176.7 | 0 | 113.1 | | |
| 104 | K | 40.6 | Very low | 37.3 | Very low | 184 Ų | 184 | 159.7 Ų | 159.7 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | | | trans | 56 | 114.6 | 143.5 | -61.2 | 178.9 | 179.8 | -176.6 | 0 | 117.8 | | |
| 105 | K | 40.6 | Very low | 37.2 | Very low | 199 Ų | 199 | 158.4 Ų | 158.4 | 87% | 0.865 | 81% | 0.806 | S | S | * | * | | | | 61.3 | 141.6 | 74.9 | -74.8 | -170.7 | 176.7 | -179.4 | 0 | 114.8 | | |
| 106 | K | 41.1 | Very low | 36.4 | Very low | 176 Ų | 176 | 156.3 Ų | 156.3 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | | | cis | -176.5 | 146.1 | -22 | -165.3 | -177.7 | 179.4 | 171.8 | 0 | 108.7 | | |
| 107 | K | 37.4 | Very low | 36.6 | Very low | 193 Ų | 193 | 161.4 Ų | 161.4 | 84% | 0.839 | 81% | 0.81 | S | S | * | * | | | trans | 73.7 | 167.2 | 152 | -116.2 | -168.5 | 177.9 | -163.6 | 0 | 119 | | |
| 108 | A | 37.8 | Very low | 36.5 | Very low | 93 Ų | 93 | 156.3 Ų | 156.3 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | | | trans | 89.1 | 79.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 119 | K110 | A108-K110 PolarHBondContact O-N 3.06Š|
| 109 | E | 38 | Very low | 36.4 | Very low | 191 Ų | 191 | 158.1 Ų | 158.1 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | -37.6 | 118.8 | 136.4 | 174 | -153.7 | 140.9 | 0 | 0 | 112.8 | | |
| 110 | K | 36.9 | Very low | 36.7 | Very low | 199 Ų | 199 | 153.3 Ų | 153.3 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | | | trans | -163.2 | 158.8 | 136.3 | -131.1 | 177.1 | -177.9 | 178.8 | 0 | 112.5 | A108 | A108-K110 PolarHBondContact O-N 3.06Š|
| 111 | K | 41.4 | Very low | 36.4 | Very low | 211 Ų | 211 | 155 Ų | 155 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | | | trans | -63 | 136.8 | -176.3 | -53.5 | 177.5 | -179.4 | -176.4 | 0 | 113.3 | | |
| 112 | A | 38.1 | Very low | 35.9 | Very low | 99 Ų | 99 | 154.7 Ų | 154.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | | | trans | -150.8 | 150.5 | 151.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 113 | Q | 38 | Very low | 35.7 | Very low | 188 Ų | 188 | 154.7 Ų | 154.7 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -81 | 151.3 | 179.8 | -70.7 | 174.7 | -88.3 | 0 | 0 | 112.1 | | |
| 114 | P | 39.3 | Very low | 35.2 | Very low | 106 Ų | 106 | 154.5 Ų | 154.5 | 69% | 0.688 | 81% | 0.812 | S | S | * | * | | | trans | -77.5 | 144.7 | 154.2 | 34.3 | -32.3 | 0 | 0 | 0 | 110.9 | | |
| 115 | N | 33 | Very low | 34.7 | Very low | 169 Ų | 169 | 148.9 Ų | 148.9 | 90% | 0.904 | 81% | 0.807 | S | S | * | * | | | trans | 152.4 | 143.5 | 145.6 | -79.6 | -14.1 | 0 | 0 | 0 | 110 | | |
| 116 | G | 33.1 | Very low | 34.1 | Very low | 77 Ų | 77 | 143.3 Ų | 143.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | 178.8 | -6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 117 | R | 29.8 | Very low | 33.5 | Very low | 251 Ų | 251 | 142 Ų | 142 | 95% | 0.947 | 81% | 0.805 | S | S | * | * | | | trans | 177.1 | 152.1 | 161.2 | -108.6 | 171.6 | 173.9 | -165.1 | -4.6 | 111.1 | | |
| 118 | A | 30 | Very low | 32.9 | Very low | 82 Ų | 82 | 136.7 Ų | 136.7 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | | | cis | -142.9 | -178.3 | -0.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 119 | V | 31.9 | Very low | 32.3 | Very low | 139 Ų | 139 | 138 Ų | 138 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | | | trans | 72.3 | 101 | -168.4 | -173.7 | 0 | 0 | 0 | 0 | 110.1 | | |
| 120 | A | 33.8 | Very low | 31.9 | Very low | 85 Ų | 85 | 137.6 Ų | 137.6 | 70% | 0.702 | 80% | 0.797 | S | S | * | * | | | | 69.3 | 132.5 | 50.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 121 | E | 27.9 | Very low | 31.4 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | | | cis | -136.2 | -171.3 | 11.3 | -155.6 | 161.8 | 110.6 | 0 | 0 | 112.2 | | |
| 122 | A | 32 | Very low | 30.9 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 62% | 0.62 | 79% | 0.792 | S | S | * | * | | | trans | -72.3 | 175.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 123 | Q | 28.2 | Very low | 30.5 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | cis | -154.2 | 171.8 | 1.9 | -135.1 | 155.8 | -83.6 | 0 | 0 | 106.9 | | |
| 124 | E | 30.1 | Very low | 30.9 | Very low | 171 Ų | 171 | 134.6 Ų | 134.6 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | | | cis | -146.3 | -70.4 | 4 | -173 | 163.3 | 121.1 | 0 | 0 | 111.8 | | |
| 125 | G | 30 | Very low | 30.3 | Very low | 67 Ų | 67 | 137.6 Ų | 137.6 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | | | trans | 173.1 | -167.4 | -173 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 126 | A | 28.9 | Very low | 30.2 | Very low | 81 Ų | 81 | 136.5 Ų | 136.5 | 67% | 0.669 | 77% | 0.774 | S | S | * | * | | | cis | -176.5 | 157.9 | -20.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | | |
| 127 | T | 27.5 | Very low | 29.8 | Very low | 150 Ų | 150 | 142.5 Ų | 142.5 | 92% | 0.92 | 78% | 0.781 | S | S | * | * | | | trans | 62.4 | 175.2 | -179.7 | 77.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 128 | A | 25.4 | Very low | 29.9 | Very low | 81 Ų | 81 | 134.3 Ų | 134.3 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | | | | -169.4 | 156.6 | -50.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 129 | C | 24.2 | Very low | 30.4 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | | | trans | 65.6 | 126.1 | -176.8 | -63.9 | 0 | 0 | 0 | 0 | 112.9 | | |
| 130 | E | 30.4 | Very low | 30.4 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | | | | 109.4 | 179.3 | 81.7 | -177.1 | 164.1 | 175.5 | 0 | 0 | 109.4 | | |
| 131 | E | 27.5 | Very low | 31 | Very low | 184 Ų | 184 | 137.3 Ų | 137.3 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | 80.5 | 165.7 | 168.5 | -157.1 | 147.3 | -151.2 | 0 | 0 | 118.2 | | |
| 132 | R | 29.2 | Very low | 31 | Very low | 219 Ų | 219 | 135 Ų | 135 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | | | trans | -112.9 | 144.4 | -152.2 | -66.9 | 165.7 | 166.6 | 146.8 | -7.2 | 111.6 | | |
| 133 | V | 29.8 | Very low | 30.9 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | | 21.6 | 137.7 | 118.5 | -170.1 | 0 | 0 | 0 | 0 | 117.1 | | |
| 134 | P | 47.9 | Very low | 31.1 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | cis | -139.2 | 179.9 | -18.4 | 40.5 | -23.7 | 0 | 0 | 0 | 115.3 | | |
| 135 | H | 26.9 | Very low | 31.1 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | | | trans | -148.8 | 110.1 | 144.3 | -140.4 | 62.2 | 0 | 0 | 0 | 117.6 | | |
| 136 | H | 29.8 | Very low | 31 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | | | trans | 34.7 | 129.9 | 136.9 | -68.3 | -133 | 0 | 0 | 0 | 122.7 | | |
| 137 | Q | 25.5 | Very low | 31.2 | Very low | 202 Ų | 202 | 141.2 Ų | 141.2 | 94% | 0.944 | 77% | 0.767 | S | S | * | * | | | | -140.5 | 151.9 | 112.8 | -164 | 166.5 | 87.7 | 0 | 0 | 109.6 | | |
| 138 | A | 31 | Very low | 31.3 | Very low | 80 Ų | 80 | 140.3 Ų | 140.3 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | | | trans | -132.8 | 168.7 | -177 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 139 | P | 40.1 | Very low | 31.5 | Very low | 133 Ų | 133 | 140.1 Ų | 140.1 | 86% | 0.864 | 76% | 0.759 | S | S | * | * | | | | -141.3 | 177.1 | 70.7 | 34.8 | -15.3 | 0 | 0 | 0 | 115.7 | | |
| 140 | S | 32.6 | Very low | 31.9 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | | | trans | -116.6 | 160.9 | 177.7 | 60.1 | 0 | 0 | 0 | 0 | 112.9 | | |
| 141 | P | 45.7 | Very low | 32 | Very low | 125 Ų | 125 | 138.8 Ų | 138.8 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | | | | -140.9 | -178.7 | 109.8 | 40.5 | -28.2 | 0 | 0 | 0 | 112.2 | | |
| 142 | Q | 28.6 | Very low | 32.4 | Very low | 144 Ų | 144 | 138.1 Ų | 138.1 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | | | cis | -126.9 | -124.1 | -3.8 | -159.7 | -163.8 | 131.8 | 0 | 0 | 111.5 | | |
| 143 | V | 30.8 | Very low | 32.8 | Very low | 113 Ų | 113 | 136.8 Ų | 136.8 | 69% | 0.685 | 74% | 0.743 | S | S | * | * | | | trans | -163.4 | 167.2 | -157.1 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | | |
| 144 | K | 30.8 | Very low | 33.2 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | | | trans | 96.1 | 125.1 | 164 | -57 | 157.6 | -171.1 | 154.4 | 0 | 115.5 | | |
| 145 | T | 31.6 | Very low | 32.4 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | | | cis | 93.3 | 125.2 | 21.7 | 72.7 | 0 | 0 | 0 | 0 | 117.5 | | |
| 146 | D | 27.7 | Very low | 32.8 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | | | trans | 115.8 | 140.1 | 141.5 | -152.6 | -146.3 | 0 | 0 | 0 | 120.3 | | |
| 147 | K | 31.4 | Very low | 33.1 | Very low | 160 Ų | 160 | 144.2 Ų | 144.2 | 70% | 0.696 | 76% | 0.764 | S | S | * | * | | | trans | 66 | 134.7 | 148.7 | -99.3 | -174 | -160.8 | 92.3 | 0 | 125.9 | | |
| 148 | V | 30.1 | Very low | 33.4 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | | | trans | 69.5 | 146.1 | 130.7 | 155.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 149 | A | 31 | Very low | 33.6 | Very low | 77 Ų | 77 | 144.6 Ų | 144.6 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -167.6 | -171.4 | -27.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 150 | E | 32.4 | Very low | 33.4 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | | | trans | 70.8 | 116.3 | 159.2 | -62 | -144.7 | 83.4 | 0 | 0 | 121.5 | | |
| 151 | T | 31.7 | Very low | 33.6 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 63% | 0.632 | 76% | 0.764 | S | S | * | * | | | trans | -4.3 | 158.9 | 135.5 | 78.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 152 | K | 35.4 | Very low | 32.9 | Very low | 170 Ų | 170 | 144.2 Ų | 144.2 | 74% | 0.739 | 76% | 0.759 | S | S | * | * | | | cis | -175.3 | 159.4 | 40.2 | -141.1 | 157.4 | -165.5 | 159.9 | 0 | 110.7 | | |
| 153 | K | 38.4 | Very low | 33.2 | Very low | 192 Ų | 192 | 146.1 Ų | 146.1 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | | | trans | 67.8 | 152 | 164.8 | -56.4 | 169.9 | -175.8 | 174.4 | 0 | 115.8 | | |
| 154 | S | 37.3 | Very low | 33.4 | Very low | 105 Ų | 105 | 149 Ų | 149 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | cis | -166.3 | 138.6 | -22.1 | 51.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 155 | K | 32.4 | Very low | 33.4 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 90% | 0.896 | 77% | 0.765 | S | S | * | * | | | trans | 54.4 | 120.1 | 138.1 | -165.8 | 170 | -176.1 | 172.9 | 0 | 120.3 | | |
| 156 | K | 33.8 | Very low | 33.4 | Very low | 193 Ų | 193 | 149.2 Ų | 149.2 | 84% | 0.839 | 77% | 0.769 | S | S | * | * | | | trans | 114.4 | 124.5 | 145.4 | -158.6 | 176.2 | -177 | -175.8 | 0 | 116.2 | | |
| 157 | K | 35.9 | Very low | 33.5 | Very low | 198 Ų | 198 | 147.4 Ų | 147.4 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | | | trans | 9.4 | 136.9 | 161.4 | -53.7 | -174 | 176.8 | -172.7 | 0 | 117.8 | | |
| 158 | A | 32.3 | Very low | 33.4 | Very low | 90 Ų | 90 | 144.7 Ų | 144.7 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | | | cis | -168 | 174.9 | 46.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 159 | K | 34.7 | Very low | 33.5 | Very low | 199 Ų | 199 | 145.5 Ų | 145.5 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | | | trans | 49.5 | 101.6 | 162.2 | -65.8 | -175.8 | 179.3 | -178.4 | 0 | 118.6 | | |
| 160 | P | 36.7 | Very low | 33.5 | Very low | 126 Ų | 126 | 145.4 Ų | 145.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | | | trans | -84.5 | 125.3 | 155.6 | 32.7 | -29.2 | 0 | 0 | 0 | 111.3 | | |
| 161 | S | 36.6 | Very low | 33.5 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -117.5 | 95.9 | 162.2 | 55.7 | 0 | 0 | 0 | 0 | 108.7 | | |
| 162 | V | 30.6 | Very low | 33.6 | Very low | 119 Ų | 119 | 143.5 Ų | 143.5 | 72% | 0.721 | 80% | 0.798 | S | S | * | * | | | trans | -137 | 101.5 | -173.4 | 174.9 | 0 | 0 | 0 | 0 | 105.7 | | |
| 163 | K | 34.9 | Very low | 33.6 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 80% | 0.796 | 81% | 0.806 | S | S | * | * | | | | 65.2 | 124.6 | 97 | -72.9 | -174.3 | 174 | -177.2 | 0 | 114.1 | | |
| 164 | E | 35.1 | Very low | 33.7 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.813 | 81% | 0.806 | S | S | * | * | | | trans | -118.4 | -177.5 | 130.2 | -105.8 | -64.7 | 18.7 | 0 | 0 | 110.4 | | |
| 165 | T | 31.5 | Very low | 34.1 | Very low | 91 Ų | 91 | 145.8 Ų | 145.8 | 56% | 0.558 | 81% | 0.81 | S | S | * | * | | | trans | -144.2 | 136.7 | -140.3 | -43.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 166 | K | 32 | Very low | 34.1 | Very low | 200 Ų | 200 | 144.7 Ų | 144.7 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | | | trans | 66.4 | 164.3 | 164.6 | -77.2 | 173.6 | 171.7 | -170.7 | 0 | 117.9 | | |
| 167 | A | 29.2 | Very low | 34.9 | Very low | 89 Ų | 89 | 145.3 Ų | 145.3 | 74% | 0.736 | 81% | 0.814 | S | S | * | * | | | cis | -176.2 | 147.3 | -34.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 168 | A | 30.2 | Very low | 35.3 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | | | trans | 175.8 | 125.6 | 134.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 169 | T | 31 | Very low | 36 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 91% | 0.914 | 80% | 0.795 | S | S | * | * | | | trans | -99.7 | 127.9 | 165.6 | -58.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 170 | G | 31.7 | Very low | 36.2 | Very low | 75 Ų | 75 | 142.2 Ų | 142.2 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -124.5 | 120.9 | 165 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 171 | D | 31.3 | Very low | 36.7 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | | | trans | -79.6 | 144.4 | 173.1 | -173.2 | -95.4 | 0 | 0 | 0 | 109.9 | | |
| 172 | G | 33.9 | Very low | 37.6 | Very low | 64 Ų | 64 | 142.9 Ų | 142.9 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | | | trans | 166.6 | 77.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 173 | K | 36.8 | Very low | 38.8 | Very low | 210 Ų | 210 | 146 Ų | 146 | 91% | 0.913 | 79% | 0.792 | S | S | * | * | | | trans | 65.3 | 158.9 | 154.8 | -96.2 | -176.1 | 173.4 | -173.9 | 0 | 120.2 | | |
| 174 | E | 39.2 | Very low | 39.5 | Very low | 180 Ų | 180 | 141.7 Ų | 141.7 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 154.5 | 179.3 | -63.3 | 168.3 | 112.6 | 0 | 0 | 112.4 | E176 | E174-E176 PolarHBondContact O-N 3.39Š|
| 175 | P | 46.1 | Very low | 40.8 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 118.4 | 174.3 | 30.2 | -33.4 | 0 | 0 | 0 | 111.3 | | |
| 176 | E | 33.2 | Very low | 41.9 | Very low | 183 Ų | 183 | 139.3 Ų | 139.3 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 133.8 | 167.9 | -173.9 | 177.6 | 160.7 | 0 | 0 | 110.2 | E174 G178 | E174-E176 PolarHBondContact O-N 3.39Å; E176-G178 PolarHBondContact O-N 3.11Å |
| 177 | E | 49.6 | Very low | 43.7 | Very low | 207 Ų | 207 | 136.9 Ų | 136.9 | 97% | 0.967 | 77% | 0.766 | S | S | * | * | | | trans | -73.5 | 68.8 | -180 | -64.6 | -172.2 | 130 | 0 | 0 | 111.8 | | |
| 178 | G | 44.9 | Very low | 45.7 | Very low | 50 Ų | 50 | 137.2 Ų | 137.2 | 52% | 0.515 | 75% | 0.752 | S | S | . | * | | | trans | -110.2 | 106.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E176 | E176-G178 PolarHBondContact O-N 3.11Š|
| 179 | T | 45.9 | Very low | 47.5 | Very low | 111 Ų | 111 | 138.4 Ų | 138.4 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | | | trans | 46.1 | 87.3 | 144.4 | -47.3 | 0 | 0 | 0 | 0 | 117.6 | E181 | T179-E181 HydrophobicContact CG2-CB 3.8Å; T179-E181 HydrophobicContact CG2-CG 4.07Å; T179-E181 PolarHBondContact O-N 2.87Å |
| 180 | W | 39.7 | Very low | 49.1 | Very low | 260 Ų | 260 | 140.6 Ų | 140.6 | 99% | 0.985 | 73% | 0.73 | S | S | * | * | | | trans | -72.9 | 67.5 | 159.7 | -71.2 | 99.4 | 0 | 0 | 0 | 111.2 | T182 | W180-T182 PolarHBondContact O-N 3.46Š|
| 181 | E | 46.8 | Very low | 51 | Low | 132 Ų | 132 | 142.5 Ų | 142.5 | 62% | 0.617 | 72% | 0.719 | S | S | * | * | | | trans | -64.6 | 129.9 | -179.3 | 43.9 | 175 | 74.7 | 0 | 0 | 112.6 | T179 K183 | T179-E181 HydrophobicContact CG2-CB 3.8Å; T179-E181 HydrophobicContact CG2-CG 4.07Å; T179-E181 PolarHBondContact O-N 2.87Å; E181-K183 PolarHBondContact O-N 2.87Å |
| 182 | T | 57 | Low | 52.6 | Low | 126 Ų | 126 | 139.5 Ų | 139.5 | 77% | 0.773 | 70% | 0.699 | S | S | * | * | | | trans | -68.4 | 96.4 | -170.5 | -42 | 0 | 0 | 0 | 0 | 111.7 | W180 V184 | W180-T182 PolarHBondContact O-N 3.46Å; T182-V184 PolarHBondContact O-N 3.41Å |
| 183 | K | 54.8 | Low | 53.9 | Low | 184 Ų | 184 | 145.3 Ų | 145.3 | 80% | 0.8 | 70% | 0.701 | S | S | * | * | | | trans | -74.2 | 68.6 | 174.4 | -77.8 | 175 | 178.4 | 161.2 | 0 | 112.2 | E181 S185 | E181-K183 PolarHBondContact O-N 2.87Å; K183-S185 PolarHBondContact O-N 2.84Å |
| 184 | V | 49.3 | Very low | 55.2 | Low | 92 Ų | 92 | 142.9 Ų | 142.9 | 56% | 0.558 | 69% | 0.691 | S | S | * | * | | | trans | -50.8 | 126.2 | 162.9 | -88.1 | 0 | 0 | 0 | 0 | 109.6 | T182 E188 | T182-V184 PolarHBondContact O-N 3.41Å; V184-E188 WeakPolarHBondContact CG1-OE1 3.5Å |
| 185 | S | 62.8 | Low | 56.5 | Low | 77 Ų | 77 | 141.5 Ų | 141.5 | 54% | 0.538 | 68% | 0.682 | S | S | . | * | | | trans | -67.6 | 145.9 | -167.9 | -178.1 | 0 | 0 | 0 | 0 | 112 | K183 K187 E188 K189 | K183-S185 PolarHBondContact O-N 2.84Å; S185-K187 PolarHBondContact O-N 3.35Å; S185-E188 WeakPolarHBondContact O-CB 3.4Å; S185-E188 PolarHBondContact O-N 3.48Å; S185-K189 PolarHBondContact O-N 2.84Å |
| 186 | N | 54.1 | Low | 56.8 | Low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -17.1 | 176.5 | -164.1 | 2.8 | 0 | 0 | 0 | 113.1 | | |
| 187 | K | 70.3 | Confident | 57.8 | Low | 150 Ų | 150 | 141 Ų | 141 | 65% | 0.652 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -51.3 | 170.1 | -168.9 | -177.5 | 173.9 | -168.2 | 0 | 112 | S185 K189 R190 E191 | S185-K187 PolarHBondContact O-N 3.35Å; K187-K189 PolarHBondContact O-N 2.89Å; K187-R190 WeakPolarHBondContact O-CB 3.31Å; K187-R190 PolarHBondContact O-N 2.78Å; K187-E191 PolarHBondContact O-N 3.32Å |
| 188 | E | 71.1 | Confident | 57.8 | Low | 96 Ų | 96 | 136.7 Ų | 136.7 | 45% | 0.449 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -63.7 | -43.3 | -176.6 | -169.5 | -177.1 | 121.7 | 0 | 0 | 111.8 | V184 S185 R190 E191 Q192 | V184-E188 WeakPolarHBondContact CG1-OE1 3.5Å; S185-E188 WeakPolarHBondContact O-CB 3.4Å; S185-E188 PolarHBondContact O-N 3.48Å; E188-R190 PolarHBondContact O-N 3.04Å; E188-E191 PolarHBondContact O-N 2.85Å; E188-Q192 PolarHBondContact O-N 3.21Å; E188-Q192 VanDerWaalsContact O-N 3.08Å |
| 189 | K | 68.6 | Low | 58 | Low | 128 Ų | 128 | 139.2 Ų | 139.2 | 56% | 0.557 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -63 | -12.6 | 175.2 | -161.2 | 161.8 | -170.2 | 162.6 | 0 | 113.7 | S185 K187 | S185-K189 PolarHBondContact O-N 2.84Å; K187-K189 PolarHBondContact O-N 2.89Å |
| 190 | R | 64.6 | Low | 57.8 | Low | 194 Ų | 194 | 139.6 Ų | 139.6 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -95.3 | -18.8 | 171.6 | -158.3 | 175.1 | -166.1 | -176.5 | 6.2 | 113.2 | K187 E188 | K187-R190 WeakPolarHBondContact O-CB 3.31Å; K187-R190 PolarHBondContact O-N 2.78Å; E188-R190 PolarHBondContact O-N 3.04Å |
| 191 | E | 70.9 | Confident | 57.6 | Low | 115 Ų | 115 | 135.4 Ų | 135.4 | 54% | 0.537 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -90 | -36.9 | 179.8 | -66 | -175.3 | 103.1 | 0 | 0 | 111.4 | K187 E188 R193 K194 K195 | K187-E191 PolarHBondContact O-N 3.32Å; E188-E191 PolarHBondContact O-N 2.85Å; E191-R193 PolarHBondContact O-N 3Å; E191-K194 WeakPolarHBondContact O-CB 3.14Å; E191-K194 PolarHBondContact O-N 2.95Å; E191-K195 PolarHBondContact O-N 3.04Å |
| 192 | Q | 64.6 | Low | 57 | Low | 108 Ų | 108 | 131.9 Ų | 131.9 | 51% | 0.505 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -51.6 | -54.9 | 166.2 | -76.2 | 179.6 | -29.3 | 0 | 0 | 111.3 | E188 K194 K195 D196 | E188-Q192 PolarHBondContact O-N 3.21Å; E188-Q192 VanDerWaalsContact O-N 3.08Å; Q192-K194 PolarHBondContact O-N 2.8Å; Q192-K195 WeakPolarHBondContact O-CA 3.33Å; Q192-K195 WeakPolarHBondContact O-CB 3.47Å; Q192-K195 PolarHBondContact O-N 3.45Å; Q192-D196 PolarHBondContact O-N 3.4Å |
| 193 | R | 62.8 | Low | 56.3 | Low | 185 Ų | 185 | 132.3 Ų | 132.3 | 70% | 0.698 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -58.8 | -8.1 | 177.1 | -71.1 | 178.6 | 169.9 | 176.5 | -5.1 | 115.6 | E191 | E191-R193 PolarHBondContact O-N 3Å |
| 194 | K | 63.6 | Low | 55.4 | Low | 159 Ų | 159 | 127.9 Ų | 127.9 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -98.9 | -25.2 | 169.8 | -82.2 | -171.1 | 167.1 | -166.4 | 0 | 113.7 | E191 Q192 N198 | E191-K194 WeakPolarHBondContact O-CB 3.14Å; E191-K194 PolarHBondContact O-N 2.95Å; Q192-K194 PolarHBondContact O-N 2.8Å; K194-N198 PolarHBondContact O-ND2 3.14Å; K194-N198 PolarHBondContact O-OD1 2.9Å |
| 195 | K | 65.4 | Low | 54.8 | Low | 152 Ų | 152 | 128.7 Ų | 128.7 | 66% | 0.661 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -79.6 | -43.9 | 174.4 | -161.4 | 77.4 | 173.6 | -175.3 | 0 | 110.9 | E191 Q192 K197 N198 | E191-K195 PolarHBondContact O-N 3.04Å; Q192-K195 WeakPolarHBondContact O-CA 3.33Å; Q192-K195 WeakPolarHBondContact O-CB 3.47Å; Q192-K195 PolarHBondContact O-N 3.45Å; K195-K197 PolarHBondContact O-N 2.98Å; K195-N198 PolarHBondContact O-N 2.96Å; K195-N198 PolarHBondContact O-OD1 3.28Å; K195-N198 VanDerWaalsContact O-OD1 3.07Å |
| 196 | D | 53 | Low | 54 | Low | 115 Ų | 115 | 130.9 Ų | 130.9 | 62% | 0.615 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -5.8 | -176.9 | -49.8 | -34.4 | 0 | 0 | 0 | 113.7 | Q192 | Q192-D196 PolarHBondContact O-N 3.4Š|
| 197 | K | 54.3 | Low | 53 | Low | 182 Ų | 182 | 127.8 Ų | 127.8 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | 7.8 | -176 | -156.9 | 57.7 | 177 | 166.9 | 0 | 113.5 | K195 | K195-K197 PolarHBondContact O-N 2.98Š|
| 198 | N | 48.8 | Very low | 50.9 | Low | 116 Ų | 116 | 124.5 Ų | 124.5 | 62% | 0.62 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -108.6 | -9.6 | -180 | -23.6 | 131.5 | 0 | 0 | 0 | 113.7 | K194 K195 | K194-N198 PolarHBondContact O-ND2 3.14Å; K194-N198 PolarHBondContact O-OD1 2.9Å; K195-N198 PolarHBondContact O-N 2.96Å; K195-N198 PolarHBondContact O-OD1 3.28Å; K195-N198 VanDerWaalsContact O-OD1 3.07Å |
| 199 | S | 49.1 | Very low | 49.2 | Very low | 103 Ų | 103 | 123 Ų | 123 | 72% | 0.72 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -131.7 | 22.2 | -157.3 | -47.4 | 0 | 0 | 0 | 0 | 115 | | |
| 200 | S | 43.3 | Very low | 47.3 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | | | trans | -156.7 | 75.8 | 176.7 | -164.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 201 | D | 33.8 | Very low | 46.1 | Very low | 173 Ų | 173 | 121.9 Ų | 121.9 | 93% | 0.925 | 73% | 0.734 | S | S | * | * | | | trans | -170.2 | 141.3 | 150.9 | -149.7 | 17.5 | 0 | 0 | 0 | 105.8 | | |
| 202 | G | 35.1 | Very low | 44.5 | Very low | 58 Ų | 58 | 121.6 Ų | 121.6 | 60% | 0.598 | 74% | 0.741 | S | S | * | * | | | cis | 173 | 127.7 | -3.5 | 0 | 0 | 0 | 0 | 0 | 107 | A204 | G202-A204 PolarHBondContact O-N 3.48Š|
| 203 | S | 43 | Very low | 42.7 | Very low | 134 Ų | 134 | 122.7 Ų | 122.7 | 94% | 0.937 | 76% | 0.755 | S | S | * | * | | | trans | -70.8 | 121.2 | -174.2 | -176 | 0 | 0 | 0 | 0 | 111.5 | | |
| 204 | A | 34.6 | Very low | 41.1 | Very low | 92 Ų | 92 | 121 Ų | 121 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | | | trans | -134.8 | 110.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | G202 | G202-A204 PolarHBondContact O-N 3.48Š|
| 205 | S | 37 | Very low | 39.6 | Very low | 108 Ų | 108 | 117 Ų | 117 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | | | trans | -80.5 | 152 | 172.4 | 176.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 206 | P | 46 | Very low | 38.2 | Very low | 123 Ų | 123 | 114.9 Ų | 114.9 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | | -124.4 | 157.3 | 123.7 | 36.1 | -32.1 | 0 | 0 | 0 | 112.5 | | |
| 207 | G | 32.5 | Very low | 37.1 | Very low | 73 Ų | 73 | 116.3 Ų | 116.3 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | | | trans | -109.4 | -177 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 208 | G | 27.9 | Very low | 35.9 | Very low | 81 Ų | 81 | 116 Ų | 116 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | | | trans | 102 | 134 | -154.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 209 | G | 33.6 | Very low | 35 | Very low | 64 Ų | 64 | 118.4 Ų | 118.4 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | | | cis | 100.7 | 120 | 46.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 210 | D | 30.3 | Very low | 34.5 | Very low | 162 Ų | 162 | 118.3 Ų | 118.3 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | | | cis | -145.6 | 161.7 | 15.1 | -54 | -59.3 | 0 | 0 | 0 | 111.4 | | |
| 211 | T | 39.7 | Very low | 33.9 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | | | trans | -94.7 | 149.6 | 162.2 | 46.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 212 | P | 37.2 | Very low | 33.7 | Very low | 108 Ų | 108 | 120 Ų | 120 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -140.8 | 138.3 | 132.3 | 34 | -20.5 | 0 | 0 | 0 | 113.7 | | |
| 213 | V | 26.8 | Very low | 33.4 | Very low | 131 Ų | 131 | 122.9 Ų | 122.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | | | trans | 60.9 | 124.8 | 142.2 | -179 | 0 | 0 | 0 | 0 | 116.8 | | |
| 214 | N | 28.7 | Very low | 32.8 | Very low | 151 Ų | 151 | 121 Ų | 121 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | | | cis | -147 | 164 | 35.8 | -150 | 3.1 | 0 | 0 | 0 | 114.4 | | |
| 215 | A | 31.1 | Very low | 32.5 | Very low | 75 Ų | 75 | 121 Ų | 121 | 62% | 0.62 | 77% | 0.769 | S | S | * | * | | | trans | -115.3 | -156.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 216 | P | 37.1 | Very low | 32.8 | Very low | 107 Ų | 107 | 121.5 Ų | 121.5 | 70% | 0.695 | 77% | 0.77 | S | S | * | * | | | cis | -132.3 | -156.9 | -11.2 | 30.9 | -5.8 | 0 | 0 | 0 | 112.7 | | |
| 217 | L | 29.2 | Very low | 32.6 | Very low | 144 Ų | 144 | 121.2 Ų | 121.2 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | trans | 78 | 137.1 | -178.3 | -71.1 | 74.7 | 0 | 0 | 0 | 114.7 | | |
| 218 | E | 29 | Very low | 32.7 | Very low | 175 Ų | 175 | 121.9 Ų | 121.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | | | cis | -137.3 | 152.5 | -2 | -135 | 172 | 140.8 | 0 | 0 | 113.9 | | |
| 219 | Q | 31.1 | Very low | 33.2 | Very low | 167 Ų | 167 | 123.8 Ų | 123.8 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | | | trans | -102.1 | 163 | 168.3 | -116.9 | -171.8 | 40.3 | 0 | 0 | 107 | | |
| 220 | P | 38.5 | Very low | 33.9 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | | | | -156 | 177.6 | 58.6 | 41.2 | -19.4 | 0 | 0 | 0 | 117.9 | | |
| 221 | R | 29.2 | Very low | 33.8 | Very low | 235 Ų | 235 | 122.7 Ų | 122.7 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | | | trans | 36 | 138.5 | 145.9 | -64.2 | 169.7 | -171 | -169.7 | 3.5 | 119.9 | | |
| 222 | A | 30.3 | Very low | 33.4 | Very low | 92 Ų | 92 | 121.2 Ų | 121.2 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | | | cis | -136.5 | 127 | 18.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 223 | S | 29.6 | Very low | 33.3 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | | | | 80.8 | 114.7 | 83.9 | -166.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 224 | A | 29.5 | Very low | 33.6 | Very low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | | | cis | -156.4 | 166.6 | -0.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 225 | A | 27.5 | Very low | 33.8 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 74% | 0.744 | 77% | 0.768 | S | S | * | * | | | trans | -121.3 | -171.4 | 162.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 226 | P | 44.1 | Very low | 33.8 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | | | cis | -127.9 | -123.8 | -2 | 26 | 1.3 | 0 | 0 | 0 | 112.9 | | |
| 227 | P | 41.6 | Very low | 33.4 | Very low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | | -119.8 | -178.9 | -99.1 | 38.1 | -22.9 | 0 | 0 | 0 | 116.3 | | |
| 228 | A | 34.5 | Very low | 33.3 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | | | trans | -61.7 | 176.6 | 169 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 229 | P | 39.5 | Very low | 33.3 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | | | cis | -130.1 | -114.6 | 15.7 | 26.1 | 2.1 | 0 | 0 | 0 | 117.3 | | |
| 230 | P | 47 | Very low | 33.5 | Very low | 116 Ų | 116 | 134 Ų | 134 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | | -124.9 | 179.2 | -112.2 | 40.4 | -24.7 | 0 | 0 | 0 | 117.1 | | |
| 231 | A | 27.7 | Very low | 33.2 | Very low | 87 Ų | 87 | 134.2 Ų | 134.2 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | | | trans | 87.3 | 123.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 232 | S | 31.5 | Very low | 33.1 | Very low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | | | trans | 73.3 | 113 | 140.2 | 72.9 | 0 | 0 | 0 | 0 | 121.6 | | |
| 233 | Q | 35.5 | Very low | 33.1 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -178.1 | 140.6 | 136.6 | -98.5 | 153.5 | 93.9 | 0 | 0 | 107.2 | | |
| 234 | K | 33 | Very low | 33.1 | Very low | 191 Ų | 191 | 137.2 Ų | 137.2 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | | | cis | 70.1 | 82 | 10.2 | -161.3 | -173.5 | 179.9 | 175.5 | 0 | 117.2 | | |
| 235 | K | 32.6 | Very low | 33.1 | Very low | 187 Ų | 187 | 137.2 Ų | 137.2 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | | -175.8 | 148.3 | 124.1 | -104.7 | 168.4 | -177.2 | 173.9 | 0 | 113.3 | | |
| 236 | K | 31.8 | Very low | 33 | Very low | 196 Ų | 196 | 140 Ų | 140 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | | | trans | 32.5 | 140.5 | 148.1 | -62.7 | -167.6 | 168.9 | -161.3 | 0 | 119.2 | | |
| 237 | K | 29.3 | Very low | 32.2 | Very low | 210 Ų | 210 | 142.4 Ų | 142.4 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | | | | 178.8 | 151.5 | 62 | 179.4 | -174.3 | 177.2 | -170.8 | 0 | 107.4 | | |
| 238 | G | 27 | Very low | 31.5 | Very low | 59 Ų | 59 | 140.8 Ų | 140.8 | 61% | 0.608 | 79% | 0.794 | S | S | * | * | | | cis | -127.6 | -171.7 | -9 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 239 | E | 28.7 | Very low | 31.1 | Very low | 186 Ų | 186 | 145.5 Ų | 145.5 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | | | cis | 65.7 | 118.6 | 44 | -157.4 | 179.8 | 143.9 | 0 | 0 | 111.8 | | |
| 240 | S | 34.9 | Very low | 30.5 | Very low | 108 Ų | 108 | 144.3 Ų | 144.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | cis | -169.1 | 152.7 | -6.5 | 54.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 241 | A | 31.4 | Very low | 29.4 | Very low | 107 Ų | 107 | 142.8 Ų | 142.8 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | | | trans | -157.8 | 141.7 | 149.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 242 | K | 29 | Very low | 29.5 | Very low | 203 Ų | 203 | 145.5 Ų | 145.5 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -141.6 | 106.4 | 177.7 | 177.5 | -170.2 | 178.1 | -173.6 | 0 | 108.7 | | |
| 243 | A | 28.8 | Very low | 29.3 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | | | trans | -113.3 | 120.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 244 | K | 31.3 | Very low | 28.9 | Very low | 200 Ų | 200 | 145.5 Ų | 145.5 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | | | trans | -137.1 | 105 | 172.1 | -178.2 | -159 | 174.9 | -170.8 | 0 | 108 | | |
| 245 | A | 29.1 | Very low | 28.6 | Very low | 95 Ų | 95 | 140.2 Ų | 140.2 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | | | trans | -159.5 | 153.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 246 | E | 24.6 | Very low | 28.4 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 70% | 0.696 | 80% | 0.798 | S | S | * | * | | | cis | -166.1 | 133.2 | -21.7 | 169.5 | 163.1 | 158.6 | 0 | 0 | 107.3 | | |
| 247 | K | 27.9 | Very low | 28.2 | Very low | 169 Ų | 169 | 133.5 Ų | 133.5 | 74% | 0.735 | 79% | 0.787 | S | S | * | * | | | trans | 61.9 | 122.3 | 147.8 | -150.9 | 167.9 | -171.2 | 175.7 | 0 | 117.1 | | |
| 248 | A | 27.3 | Very low | 28.1 | Very low | 84 Ų | 84 | 129 Ų | 129 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | | 57.2 | 145.9 | 80.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 249 | E | 24.7 | Very low | 28.2 | Very low | 186 Ų | 186 | 132.1 Ų | 132.1 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | | | cis | -175.7 | 163 | -1.6 | 159.6 | -175.6 | 159 | 0 | 0 | 106.4 | | |
| 250 | A | 26.6 | Very low | 28.4 | Very low | 95 Ų | 95 | 129.3 Ų | 129.3 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | | | trans | 108.9 | 158.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 251 | A | 25.6 | Very low | 28.6 | Very low | 85 Ų | 85 | 129.4 Ų | 129.4 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | | | cis | 173.1 | 143.6 | -44.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 252 | V | 29.1 | Very low | 28.3 | Very low | 143 Ų | 143 | 132.4 Ų | 132.4 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | | | trans | 66.7 | 143 | 158.2 | 170.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 253 | S | 27.4 | Very low | 28.3 | Very low | 106 Ų | 106 | 128.2 Ų | 128.2 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | cis | -120.4 | -171.5 | 6.1 | -38.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 254 | Q | 26.2 | Very low | 28.2 | Very low | 191 Ų | 191 | 127.7 Ų | 127.7 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | | | cis | -158.2 | 155.5 | 38.6 | -174 | 169.1 | -42 | 0 | 0 | 112.7 | | |
| 255 | A | 27.5 | Very low | 28 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 65% | 0.653 | 77% | 0.767 | S | S | * | * | | | trans | -85.5 | -175.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 256 | N | 28.7 | Very low | 28 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | | | cis | -167 | 179.7 | 8.4 | -131.7 | -4.4 | 0 | 0 | 0 | 108.3 | | |
| 257 | S | 27.7 | Very low | 28.2 | Very low | 88 Ų | 88 | 123.1 Ų | 123.1 | 62% | 0.615 | 78% | 0.775 | S | S | * | * | | | cis | -170.1 | 145 | -7.5 | 37 | 0 | 0 | 0 | 0 | 110.6 | | |
| 258 | S | 27.1 | Very low | 28.3 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | 69.1 | 154.5 | 156.7 | -130.7 | 0 | 0 | 0 | 0 | 117.9 | | |
| 259 | V | 27.8 | Very low | 28.4 | Very low | 123 Ų | 123 | 122 Ų | 122 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | | | cis | -143.9 | 157.7 | 26.8 | 174.1 | 0 | 0 | 0 | 0 | 112 | | |
| 260 | V | 33.9 | Very low | 28.9 | Very low | 127 Ų | 127 | 121.6 Ų | 121.6 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | trans | -139.6 | 133.8 | 171.8 | 170.9 | 0 | 0 | 0 | 0 | 109 | | |
| 261 | P | 38.6 | Very low | 29 | Very low | 111 Ų | 111 | 120.3 Ų | 120.3 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | | | | -138.5 | 165.5 | 99.9 | 21.4 | 1.2 | 0 | 0 | 0 | 113 | | |
| 262 | E | 26.4 | Very low | 29.2 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | | | cis | 93.4 | 144.3 | 27.2 | -145 | -160.1 | 120 | 0 | 0 | 115.9 | | |
| 263 | V | 29 | Very low | 29.3 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | | | trans | 83.3 | 88.8 | 165.8 | -165.8 | 0 | 0 | 0 | 0 | 120.1 | | |
| 264 | A | 26.1 | Very low | 29.4 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | | | | 56.7 | 174.8 | 118.3 | 0 | 0 | 0 | 0 | 0 | 124.4 | | |
| 265 | A | 26.7 | Very low | 29.6 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 91% | 0.909 | 77% | 0.768 | S | S | * | * | | | trans | 85.9 | 142.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | | |
| 266 | A | 29 | Very low | 30.1 | Very low | 92 Ų | 92 | 123.2 Ų | 123.2 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | | | trans | -105.1 | 164.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 267 | T | 29.9 | Very low | 30.3 | Very low | 145 Ų | 145 | 125.1 Ų | 125.1 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | | | trans | -164.6 | 144.9 | 140.9 | 15.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 268 | A | 29.1 | Very low | 30.4 | Very low | 88 Ų | 88 | 126.8 Ų | 126.8 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | | | trans | 65.2 | 132.4 | 145 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 269 | D | 29.3 | Very low | 30.5 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | 31.5 | 120.1 | 144.9 | -71.4 | -104.7 | 0 | 0 | 0 | 123.5 | | |
| 270 | M | 35.6 | Very low | 30.8 | Very low | 178 Ų | 178 | 124.3 Ų | 124.3 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | | | | -157.5 | 115.7 | 84.4 | -68.9 | -144.3 | 89 | 0 | 0 | 108.9 | | |
| 271 | A | 28.5 | Very low | 31.1 | Very low | 69 Ų | 69 | 123.8 Ų | 123.8 | 57% | 0.57 | 79% | 0.787 | S | S | * | * | | | | 85 | 104.1 | 76.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 272 | V | 30.8 | Very low | 31 | Very low | 137 Ų | 137 | 127.7 Ų | 127.7 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | | | trans | 65.4 | 120.7 | 148.7 | -179.7 | 0 | 0 | 0 | 0 | 116.7 | | |
| 273 | K | 29.9 | Very low | 31.3 | Very low | 187 Ų | 187 | 125.5 Ų | 125.5 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | | | cis | -161.4 | 115.3 | 45.9 | -160.7 | 168.4 | -178.1 | 176.8 | 0 | 115.6 | | |
| 274 | V | 30.6 | Very low | 31.4 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | | | trans | 15 | 119.2 | 141.1 | -174.5 | 0 | 0 | 0 | 0 | 119.8 | P276 | V274-P276 HydrophobicContact CG1-CG 4.47Š|
| 275 | A | 30.4 | Very low | 31.6 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -151.2 | 96 | 148.1 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 276 | P | 36.3 | Very low | 31.8 | Very low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | | | trans | -91.6 | 159.6 | -178.2 | 36.4 | -34.1 | 0 | 0 | 0 | 112.7 | V274 | V274-P276 HydrophobicContact CG1-CG 4.47Š|
| 277 | Q | 34.4 | Very low | 32 | Very low | 193 Ų | 193 | 131.2 Ų | 131.2 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | | | trans | -104.3 | 173.3 | 179.8 | -56.3 | 175.5 | 5.5 | 0 | 0 | 111.8 | | |
| 278 | S | 29.6 | Very low | 31.9 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | | | trans | 106.4 | 162 | 148.7 | -154.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 279 | A | 29.8 | Very low | 31.9 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | 70.9 | 107.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 280 | A | 33.9 | Very low | 31.9 | Very low | 97 Ų | 97 | 137 Ų | 137 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | -89.3 | 158.5 | 148.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 281 | P | 39.2 | Very low | 31.7 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | | -146.2 | 150.7 | 112.7 | 36 | -20.9 | 0 | 0 | 0 | 116.8 | | |
| 282 | K | 36.1 | Very low | 31.8 | Very low | 193 Ų | 193 | 139.5 Ų | 139.5 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | | | trans | 5.4 | 137.4 | 140.1 | -36.6 | 171 | -173.8 | 171.6 | 0 | 116.3 | | |
| 283 | T | 32.8 | Very low | 31.8 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | | | cis | -165.5 | 165.1 | 47.3 | 48.2 | 0 | 0 | 0 | 0 | 115.1 | | |
| 284 | S | 30.7 | Very low | 32.1 | Very low | 96 Ų | 96 | 134.3 Ų | 134.3 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | | | trans | 59.2 | 90.5 | 142.3 | 62.1 | 0 | 0 | 0 | 0 | 123.5 | | |
| 285 | S | 30.9 | Very low | 32.1 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | | 43.7 | 123.3 | 119 | 62.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 286 | W | 30.6 | Very low | 32.4 | Very low | 236 Ų | 236 | 143.4 Ų | 143.4 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | | | | -158.8 | 169.3 | 118.1 | -170.3 | -114.5 | 0 | 0 | 0 | 111.8 | | |
| 287 | T | 33.3 | Very low | 32 | Very low | 87 Ų | 87 | 149.2 Ų | 149.2 | 53% | 0.534 | 80% | 0.799 | S | S | . | * | | | trans | -75.2 | 168 | -163.5 | 65.6 | 0 | 0 | 0 | 0 | 115 | | |
| 288 | T | 28.4 | Very low | 32 | Very low | 114 Ų | 114 | 145 Ų | 145 | 70% | 0.699 | 80% | 0.797 | S | S | * | * | | | | -179.9 | 159.9 | 70.2 | -103.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 289 | Q | 29.2 | Very low | 32 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | | | trans | 81.3 | 103.6 | 167.6 | -132 | 144.4 | -87.1 | 0 | 0 | 116.4 | | |
| 290 | R | 28.9 | Very low | 32.2 | Very low | 216 Ų | 216 | 143.9 Ų | 143.9 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | | 79.4 | 128.7 | 60.1 | -164.2 | -135.5 | -81.4 | -98.9 | -1.9 | 111.2 | | |
| 291 | Q | 31.1 | Very low | 32.1 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | | | cis | -122 | 154.4 | 16 | -75.3 | 176.8 | -123.1 | 0 | 0 | 114.8 | | |
| 292 | T | 32.1 | Very low | 32.5 | Very low | 134 Ų | 134 | 149.3 Ų | 149.3 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | | | trans | -95 | 153.7 | 150.4 | 47.6 | 0 | 0 | 0 | 0 | 110.2 | | |
| 293 | A | 30 | Very low | 32.7 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | trans | -140.1 | 113.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 294 | S | 35.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 151.3 Ų | 151.3 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | | | trans | -84.8 | 130 | -179.6 | -48.6 | 0 | 0 | 0 | 0 | 111 | | |
| 295 | L | 30.5 | Very low | 33.1 | Very low | 159 Ų | 159 | 150.4 Ų | 150.4 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | | | trans | -157.6 | 59.8 | 172.1 | -118.9 | 170.9 | 0 | 0 | 0 | 113.9 | | |
| 296 | W | 36.6 | Very low | 33.4 | Very low | 257 Ų | 257 | 150.8 Ų | 150.8 | 97% | 0.973 | 80% | 0.797 | S | S | * | * | | | trans | -135.6 | 80.9 | 173.2 | -76.5 | 109.2 | 0 | 0 | 0 | 113 | | |
| 297 | R | 29.5 | Very low | 34.2 | Very low | 237 Ų | 237 | 145.4 Ų | 145.4 | 89% | 0.894 | 79% | 0.792 | S | S | * | * | | | trans | -160.8 | 115.1 | 152.5 | -174.8 | 162.8 | -71.8 | -163.6 | -1.1 | 113.2 | | |
| 298 | A | 32.9 | Very low | 34.6 | Very low | 104 Ų | 104 | 147.1 Ų | 147.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | | | trans | 52.6 | 133.3 | 148.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 299 | G | 30.7 | Very low | 35.4 | Very low | 67 Ų | 67 | 147.5 Ų | 147.5 | 69% | 0.691 | 81% | 0.807 | S | S | * | * | | | trans | 147.1 | 135.3 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 300 | S | 32.5 | Very low | 35.5 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | 69.9 | 137.4 | 172.1 | -50.1 | 0 | 0 | 0 | 0 | 116.7 | | |
| 301 | D | 33.1 | Very low | 36.3 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 78% | 0.775 | 80% | 0.801 | S | S | * | * | | | cis | -157.1 | 161.6 | -18.5 | -162.4 | -152 | 0 | 0 | 0 | 110.7 | S303 | D301-S303 PolarHBondContact O-N 3.42Š|
| 302 | E | 47.2 | Very low | 36.7 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | | | trans | -75.3 | 104.1 | 179.4 | -125.8 | 97.3 | 112 | 0 | 0 | 111.3 | | |
| 303 | S | 40.9 | Very low | 37.3 | Very low | 97 Ų | 97 | 142 Ų | 142 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | | | trans | -147.1 | 69.6 | 175.4 | -161.1 | 0 | 0 | 0 | 0 | 114.6 | D301 A305 | D301-S303 PolarHBondContact O-N 3.42Å; S303-A305 PolarHBondContact O-N 3.38Å |
| 304 | W | 36.2 | Very low | 37.3 | Very low | 261 Ų | 261 | 144.6 Ų | 144.6 | 99% | 0.989 | 81% | 0.808 | S | S | * | * | | | trans | -78.8 | 64.4 | 161.6 | -73 | 94 | 0 | 0 | 0 | 110.5 | | |
| 305 | A | 34.5 | Very low | 37.3 | Very low | 77 Ų | 77 | 146.7 Ų | 146.7 | 64% | 0.636 | 81% | 0.808 | S | S | * | * | | | trans | -75.9 | 131.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S303 | S303-A305 PolarHBondContact O-N 3.38Š|
| 306 | V | 38.6 | Very low | 37.5 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | | | trans | -70.3 | 132.8 | 178.7 | 177 | 0 | 0 | 0 | 0 | 110.4 | V308 | V306-V308 PolarHBondContact O-N 2.82Å; V306-V308 VanDerWaalsContact O-N 3.1Å |
| 307 | P | 46.9 | Very low | 37.3 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | | | trans | -67.2 | 107.8 | 170.3 | -17.6 | 31.3 | 0 | 0 | 0 | 110.8 | | |
| 308 | V | 42.2 | Very low | 37.5 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 75% | 0.745 | 79% | 0.794 | S | S | * | * | | | trans | -90.2 | 124.9 | 168 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | V306 S310 | V306-V308 PolarHBondContact O-N 2.82Å; V306-V308 VanDerWaalsContact O-N 3.1Å; V308-S310 PolarHBondContact O-N 3.37Å |
| 309 | P | 44.3 | Very low | 37.4 | Very low | 122 Ų | 122 | 134.7 Ų | 134.7 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | | | trans | -75.1 | 116 | 175.7 | 29.9 | -32.4 | 0 | 0 | 0 | 110 | | |
| 310 | S | 31.1 | Very low | 37.4 | Very low | 110 Ų | 110 | 137.2 Ų | 137.2 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -107.8 | 127.8 | 164.6 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | V308 | V308-S310 PolarHBondContact O-N 3.37Š|
| 311 | P | 46.9 | Very low | 37.5 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -75.5 | -174.3 | 171.9 | 34.3 | -35.7 | 0 | 0 | 0 | 111.3 | | |
| 312 | E | 39.4 | Very low | 37.3 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 86% | 0.855 | 79% | 0.794 | S | S | * | * | | | trans | 76 | 82.5 | 174.1 | -55 | -171.4 | 170.3 | 0 | 0 | 117.4 | | |
| 313 | L | 43.4 | Very low | 36.9 | Very low | 165 Ų | 165 | 134 Ų | 134 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -141.6 | 112.9 | 131.8 | -81.5 | -171.3 | 0 | 0 | 0 | 111.2 | | |
| 314 | N | 31.2 | Very low | 36.7 | Very low | 151 Ų | 151 | 134.7 Ų | 134.7 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | | | trans | 41.4 | 94.1 | 162 | -79.4 | -93 | 0 | 0 | 0 | 119.4 | | |
| 315 | L | 33.9 | Very low | 36.9 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -66.4 | 168.3 | 134.6 | -92.6 | 158.5 | 0 | 0 | 0 | 110.6 | | |
| 316 | V | 35.4 | Very low | 36.9 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 72% | 0.715 | 80% | 0.801 | S | S | * | * | | | trans | 84.8 | 90.1 | 175.8 | -167.3 | 0 | 0 | 0 | 0 | 116.3 | | |
| 317 | S | 32.6 | Very low | 36.9 | Very low | 130 Ų | 130 | 136.8 Ų | 136.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | | | | -134.4 | 118.5 | 124.4 | -77 | 0 | 0 | 0 | 0 | 107.1 | | |
| 318 | L | 32.7 | Very low | 36.4 | Very low | 149 Ų | 149 | 136.9 Ų | 136.9 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | | | trans | -104.1 | 157 | -168 | -145.5 | 78.2 | 0 | 0 | 0 | 111.2 | | |
| 319 | S | 31.9 | Very low | 36 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | | | trans | 64.5 | 86.6 | 157.1 | -57.2 | 0 | 0 | 0 | 0 | 118 | | |
| 320 | S | 31 | Very low | 35.9 | Very low | 119 Ų | 119 | 136 Ų | 136 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -128.9 | 85.8 | 151.1 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | | |
| 321 | L | 33.1 | Very low | 36.2 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | | | trans | 59.7 | 109.1 | 150.5 | -158.9 | 70.2 | 0 | 0 | 0 | 120.1 | | |
| 322 | G | 29.3 | Very low | 36 | Very low | 67 Ų | 67 | 141 Ų | 141 | 69% | 0.691 | 81% | 0.814 | S | S | * | * | | | trans | 87.9 | 95.4 | 137.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | P324 | G322-P324 WeakPolarHBondContact O-CD 3.48Š|
| 323 | V | 38.9 | Very low | 36.5 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | | | trans | -91.2 | 123.9 | 153.6 | 173.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 324 | P | 37.6 | Very low | 36.5 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | | | trans | -110.8 | 134.7 | 146 | 34 | -28.2 | 0 | 0 | 0 | 110.9 | G322 T326 | G322-P324 WeakPolarHBondContact O-CD 3.48Å; P324-T326 PolarHBondContact O-N 2.79Å |
| 325 | Q | 39.8 | Very low | 37 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 89% | 0.893 | 81% | 0.813 | S | S | * | * | | | trans | -71.4 | 115.7 | 175.3 | 170.8 | -166.2 | 2.6 | 0 | 0 | 111.4 | | |
| 326 | T | 34.6 | Very low | 37.4 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -143.1 | 153.3 | 160.1 | 44.3 | 0 | 0 | 0 | 0 | 110.7 | P324 | P324-T326 PolarHBondContact O-N 2.79Š|
| 327 | Q | 38.1 | Very low | 37.5 | Very low | 181 Ų | 181 | 144.5 Ų | 144.5 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 142.7 | 177.3 | -66.9 | -179.9 | -47.1 | 0 | 0 | 111.2 | | |
| 328 | P | 36.4 | Very low | 37.7 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 124.6 | 156.9 | 31.6 | -29.8 | 0 | 0 | 0 | 109.5 | | |
| 329 | V | 33.8 | Very low | 38.2 | Very low | 132 Ų | 132 | 145.4 Ų | 145.4 | 80% | 0.8 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 161.1 | 166.5 | 176.9 | 0 | 0 | 0 | 0 | 109 | | |
| 330 | S | 42.6 | Very low | 38.7 | Very low | 93 Ų | 93 | 145 Ų | 145 | 65% | 0.65 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -54.3 | 171.2 | 172.8 | -53.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 331 | D | 38.5 | Very low | 39 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 73.4 | 89.7 | 158.8 | -50.2 | -39.7 | 0 | 0 | 0 | 117.5 | | |
| 332 | L | 42.8 | Very low | 39.7 | Very low | 179 Ų | 179 | 142.2 Ų | 142.2 | 94% | 0.937 | 77% | 0.773 | S | S | * | * | | | trans | -140.6 | 86.3 | 137.9 | -142.2 | 72.8 | 0 | 0 | 0 | 111.2 | | |
| 333 | T | 49 | Very low | 41 | Very low | 110 Ų | 110 | 146.5 Ų | 146.5 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | | | trans | -56.4 | 160.2 | 157.7 | 46.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 334 | W | 44.2 | Very low | 41.8 | Very low | 236 Ų | 236 | 151.2 Ų | 151.2 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | | | trans | 127 | -13.3 | 162.2 | -77.7 | 99 | 0 | 0 | 0 | 119 | | |
| 335 | L | 41.3 | Very low | 42.7 | Very low | 179 Ų | 179 | 151.6 Ų | 151.6 | 94% | 0.937 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -109.6 | 17.2 | -172.4 | -133.6 | 78.2 | 0 | 0 | 0 | 117.7 | | |
| 336 | N | 42.4 | Very low | 42.8 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | -149.6 | 78.6 | 168.8 | -147.2 | -15.7 | 0 | 0 | 0 | 113.3 | | |
| 337 | Q | 36.4 | Very low | 42.8 | Very low | 180 Ų | 180 | 148.3 Ų | 148.3 | 84% | 0.841 | 78% | 0.784 | S | S | * | * | | | trans | -137.5 | 85.3 | 167.5 | -88.7 | -71.1 | -18.7 | 0 | 0 | 107.4 | R339 | Q337-R339 PolarHBondContact O-N 3.01Å; Q337-R339 VanDerWaalsContact O-N 3.13Å |
| 338 | S | 38.4 | Very low | 43.2 | Very low | 94 Ų | 94 | 147.9 Ų | 147.9 | 66% | 0.657 | 79% | 0.787 | S | S | * | * | | | trans | -67.9 | 104.6 | 163.9 | 52.3 | 0 | 0 | 0 | 0 | 107.6 | V340 | S338-V340 PolarHBondContact O-N 3.25Š|
| 339 | R | 41.6 | Very low | 43.7 | Very low | 204 Ų | 204 | 145.4 Ų | 145.4 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | | | trans | -55.9 | 108 | 174.6 | 175.9 | -175.8 | -77.4 | -153.4 | -3.7 | 108.8 | Q337 D341 | Q337-R339 PolarHBondContact O-N 3.01Å; Q337-R339 VanDerWaalsContact O-N 3.13Å; R339-D341 WeakPolarHBondContact CD-OD1 3.45Å; R339-D341 IonicContact NH1-OD1 3.96Å |
| 340 | V | 43.1 | Very low | 44.6 | Very low | 100 Ų | 100 | 143 Ų | 143 | 61% | 0.606 | 79% | 0.786 | S | S | * | * | | | trans | -82.6 | 124.1 | 156.5 | -177.2 | 0 | 0 | 0 | 0 | 105.5 | S338 D342 | S338-V340 PolarHBondContact O-N 3.25Å; V340-D342 VanDerWaalsContact CG1-OD2 3.28Å; V340-D342 WeakPolarHBondContact CG1-OD2 3.24Å; V340-D342 PolarHBondContact O-N 2.86Å |
| 341 | D | 37.7 | Very low | 44.9 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 55% | 0.545 | 80% | 0.797 | S | S | . | * | | | trans | -81.6 | 75.9 | 172.9 | -79.7 | -67.1 | 0 | 0 | 0 | 109 | R339 E343 | R339-D341 WeakPolarHBondContact CD-OD1 3.45Å; R339-D341 IonicContact NH1-OD1 3.96Å; D341-E343 HydrophobicContact CB-CG 4.27Å; D341-E343 PolarHBondContact O-N 3.08Å |
| 342 | D | 48.1 | Very low | 45.5 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | -72.1 | 52.6 | 169.5 | -78.9 | -61 | 0 | 0 | 0 | 111.2 | V340 W344 | V340-D342 VanDerWaalsContact CG1-OD2 3.28Å; V340-D342 WeakPolarHBondContact CG1-OD2 3.24Å; V340-D342 PolarHBondContact O-N 2.86Å; D342-W344 PolarHBondContact O-N 2.88Å |
| 343 | E | 55.9 | Low | 45.8 | Very low | 157 Ų | 157 | 137.4 Ų | 137.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 11 | -178.2 | -70.2 | -165.3 | 111 | 0 | 0 | 114.3 | D341 | D341-E343 HydrophobicContact CB-CG 4.27Å; D341-E343 PolarHBondContact O-N 3.08Å |
| 344 | W | 56.2 | Low | 46.3 | Very low | 245 Ų | 245 | 138.8 Ų | 138.8 | 93% | 0.928 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | 32.7 | -174.6 | -74.6 | 88.4 | 0 | 0 | 0 | 114.3 | D342 | D342-W344 PolarHBondContact O-N 2.88Š|
| 345 | S | 55.4 | Low | 46.9 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -150.3 | 114.6 | 165.1 | -83.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 346 | G | 43.1 | Very low | 47.9 | Very low | 77 Ų | 77 | 126.6 Ų | 126.6 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | | | trans | 114.1 | 65.2 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 347 | L | 34.3 | Very low | 48.9 | Very low | 175 Ų | 175 | 127.3 Ų | 127.3 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | | | trans | -148.2 | 102.2 | 146.9 | -113.2 | 155.2 | 0 | 0 | 0 | 111.2 | G349 | L347-G349 PolarHBondContact O-N 3.35Š|
| 348 | N | 46.2 | Very low | 50.6 | Low | 172 Ų | 172 | 129.9 Ų | 129.9 | 92% | 0.92 | 76% | 0.756 | S | S | * | * | | | trans | -62.7 | 128.9 | 170.4 | -84.2 | -27.6 | 0 | 0 | 0 | 109.7 | | |
| 349 | G | 46.9 | Very low | 51.7 | Low | 76 Ų | 76 | 132.6 Ų | 132.6 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | | | trans | -170.1 | 18.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 119 | L347 S351 | L347-G349 PolarHBondContact O-N 3.35Å; G349-S351 PolarHBondContact O-N 3.05Å |
| 350 | G | 53 | Low | 52.8 | Low | 80 Ų | 80 | 126.4 Ų | 126.4 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | | | trans | 47.7 | 64.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | A352 | G350-A352 PolarHBondContact O-N 3.05Š|
| 351 | S | 48.2 | Very low | 53.2 | Low | 124 Ų | 124 | 127.3 Ų | 127.3 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | | | trans | -87.2 | 77.6 | 158.4 | 62.7 | 0 | 0 | 0 | 0 | 110.3 | G349 D353 | G349-S351 PolarHBondContact O-N 3.05Å; S351-D353 PolarHBondContact O-N 3.48Å; S351-D353 VanDerWaalsContact O-N 3.15Å |
| 352 | A | 51.3 | Low | 54.2 | Low | 95 Ų | 95 | 128 Ų | 128 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | | | trans | -69.3 | 106.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | G350 P354 | G350-A352 PolarHBondContact O-N 3.05Å; A352-P354 WeakPolarHBondContact O-CD 3.41Å |
| 353 | D | 49.7 | Very low | 54.8 | Low | 81 Ų | 81 | 128.2 Ų | 128.2 | 43% | 0.433 | 77% | 0.773 | S | S | . | * | | | trans | -62.2 | 116.9 | 170.8 | 165.3 | 20.7 | 0 | 0 | 0 | 109.1 | S351 S355 S356 | S351-D353 PolarHBondContact O-N 3.48Å; S351-D353 VanDerWaalsContact O-N 3.15Å; D353-S355 PolarHBondContact O-N 3.5Å; D353-S355 WeakPolarHBondContact OD1-CB 3.26Å; D353-S355 PolarHBondContact OD1-N 2.99Å; D353-S355 PolarHBondContact OD1-OG 3.02Å; D353-S355 PolarHBondContact OD2-OG 3.48Å; D353-S356 PolarHBondContact O-N 2.93Å; D353-S356 VanDerWaalsContact OD2-CB 3.28Å; D353-S356 WeakPolarHBondContact OD2-CB 3.35Å; D353-S356 PolarHBondContact OD2-N 2.86Å; D353-S356 PolarHBondContact OD2-OG 3.41Å |
| 354 | P | 58.9 | Low | 55 | Low | 138 Ų | 138 | 125.4 Ų | 125.4 | 90% | 0.896 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | 5.3 | -178.2 | 32.2 | -36.8 | 0 | 0 | 0 | 113.7 | A352 | A352-P354 WeakPolarHBondContact O-CD 3.41Š|
| 355 | S | 56.6 | Low | 55.1 | Low | 89 Ų | 89 | 123.9 Ų | 123.9 | 62% | 0.622 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.9 | 2.3 | 177.3 | 67.7 | 0 | 0 | 0 | 0 | 115.3 | D353 D357 | D353-S355 PolarHBondContact O-N 3.5Å; D353-S355 WeakPolarHBondContact OD1-CB 3.26Å; D353-S355 PolarHBondContact OD1-N 2.99Å; D353-S355 PolarHBondContact OD1-OG 3.02Å; D353-S355 PolarHBondContact OD2-OG 3.48Å; S355-D357 PolarHBondContact O-N 3.46Å |
| 356 | S | 61.5 | Low | 54.9 | Low | 70 Ų | 70 | 121.4 Ų | 121.4 | 49% | 0.49 | 76% | 0.764 | S | S | . | * | | | trans | -88.3 | 94.1 | -179.4 | -88.8 | 0 | 0 | 0 | 0 | 112.9 | D353 W358 | D353-S356 PolarHBondContact O-N 2.93Å; D353-S356 VanDerWaalsContact OD2-CB 3.28Å; D353-S356 WeakPolarHBondContact OD2-CB 3.35Å; D353-S356 PolarHBondContact OD2-N 2.86Å; D353-S356 PolarHBondContact OD2-OG 3.41Å; S356-W358 PolarHBondContact O-N 3.17Å |
| 357 | D | 63.9 | Low | 55 | Low | 164 Ų | 164 | 124.7 Ų | 124.7 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | | | trans | -66.7 | 22.8 | 174 | -69.1 | -44.1 | 0 | 0 | 0 | 114.9 | S355 N359 | S355-D357 PolarHBondContact O-N 3.46Å; D357-N359 PolarHBondContact O-N 3.42Å |
| 358 | W | 72.4 | Confident | 55.6 | Low | 233 Ų | 233 | 127.6 Ų | 127.6 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | | | trans | -77.8 | 67.9 | -178.4 | -86.1 | 99.6 | 0 | 0 | 0 | 112.7 | S356 A360 | S356-W358 PolarHBondContact O-N 3.17Å; W358-A360 PolarHBondContact O-N 3.14Å; W358-A360 VanDerWaalsContact O-N 3.09Å |
| 359 | N | 62.2 | Low | 55.8 | Low | 152 Ų | 152 | 127.7 Ų | 127.7 | 81% | 0.813 | 76% | 0.759 | S | S | * | * | | | trans | -75 | 95.1 | 173 | -155.6 | -9.6 | 0 | 0 | 0 | 109.5 | D357 | D357-N359 PolarHBondContact O-N 3.42Š|
| 360 | A | 64 | Low | 55.7 | Low | 73 Ų | 73 | 132.1 Ų | 132.1 | 60% | 0.603 | 76% | 0.759 | S | S | * | * | | | trans | -62.8 | 128.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | W358 S362 | W358-A360 PolarHBondContact O-N 3.14Å; W358-A360 VanDerWaalsContact O-N 3.09Å; A360-S362 PolarHBondContact O-N 2.92Å |
| 361 | P | 52.7 | Low | 55.4 | Low | 120 Ų | 120 | 134 Ų | 134 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | | | trans | -68.4 | 106.3 | -176.1 | 26.7 | -33.8 | 0 | 0 | 0 | 110.6 | E363 | P361-E363 PolarHBondContact O-N 3.31Š|
| 362 | S | 57.3 | Low | 54.6 | Low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | | | trans | -74.6 | 51.8 | 172.2 | 46.3 | 0 | 0 | 0 | 0 | 111.8 | A360 A364 | A360-S362 PolarHBondContact O-N 2.92Å; S362-A364 PolarHBondContact O-N 2.94Å; S362-A364 VanDerWaalsContact O-N 3.07Å |
| 363 | E | 61.7 | Low | 54.3 | Low | 135 Ų | 135 | 134.1 Ų | 134.1 | 63% | 0.631 | 75% | 0.753 | S | S | * | * | | | trans | -75.6 | 97.9 | 177.7 | -163.1 | 173.2 | -140.4 | 0 | 0 | 109.6 | P361 W365 | P361-E363 PolarHBondContact O-N 3.31Å; E363-W365 VanDerWaalsContact C-N 3.29Å; E363-W365 PolarHBondContact O-N 2.82Å; E363-W365 PolarHBondContact OE2-NE1 3.44Å |
| 364 | A | 59.5 | Low | 53.4 | Low | 98 Ų | 98 | 137.6 Ų | 137.6 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | -70.4 | 81.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | S362 G366 | S362-A364 PolarHBondContact O-N 2.94Å; S362-A364 VanDerWaalsContact O-N 3.07Å; A364-G366 PolarHBondContact O-N 2.93Å |
| 365 | W | 58.3 | Low | 52.6 | Low | 214 Ų | 214 | 136.2 Ų | 136.2 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | | | trans | -67.8 | 84.4 | 166.1 | -73.1 | 94.8 | 0 | 0 | 0 | 109.4 | E363 | E363-W365 VanDerWaalsContact C-N 3.29Å; E363-W365 PolarHBondContact O-N 2.82Å; E363-W365 PolarHBondContact OE2-NE1 3.44Å |
| 366 | G | 50.2 | Low | 51.8 | Low | 67 Ų | 67 | 137 Ų | 137 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | | | trans | -75.9 | 179.6 | -167.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A364 | A364-G366 PolarHBondContact O-N 2.93Š|
| 367 | N | 46.9 | Very low | 50.4 | Low | 146 Ų | 146 | 141.7 Ų | 141.7 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | 71.7 | 60.8 | 174.9 | -154.8 | 93.6 | 0 | 0 | 0 | 116.1 | | |
| 368 | Y | 45.1 | Very low | 48.8 | Very low | 235 Ų | 235 | 141 Ų | 141 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | | | trans | -108.7 | 125.3 | 130.7 | -102.1 | -97 | 0 | 0 | 0 | 108 | E370 | Y368-E370 PolarHBondContact O-N 3.12Š|
| 369 | E | 51.3 | Low | 47 | Very low | 175 Ų | 175 | 137.8 Ų | 137.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -75.8 | 112.2 | 159.2 | -72 | -174 | 140.4 | 0 | 0 | 107 | P371 | E369-P371 WeakPolarHBondContact O-CD 3.43Š|
| 370 | E | 45.4 | Very low | 45.6 | Very low | 168 Ų | 168 | 138.2 Ų | 138.2 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | | | trans | -74 | 122.1 | 168.8 | -173.3 | 177.2 | 152 | 0 | 0 | 108.3 | Y368 T372 | Y368-E370 PolarHBondContact O-N 3.12Å; E370-T372 PolarHBondContact O-N 3.45Å |
| 371 | P | 46 | Very low | 44.5 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | -64.2 | 99.2 | 176 | -21 | 34 | 0 | 0 | 0 | 109.6 | E369 A373 | E369-P371 WeakPolarHBondContact O-CD 3.43Å; P371-A373 PolarHBondContact O-N 3.2Å; P371-A373 VanDerWaalsContact O-N 3.11Å |
| 372 | T | 31.9 | Very low | 43.4 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 77% | 0.767 | 78% | 0.778 | S | S | * | * | | | trans | -58.9 | 117.6 | 179.6 | -69.3 | 0 | 0 | 0 | 0 | 109.2 | E370 E374 | E370-T372 PolarHBondContact O-N 3.45Å; T372-E374 VanDerWaalsContact C-N 3.28Å; T372-E374 PolarHBondContact O-N 3.24Å |
| 373 | A | 44.1 | Very low | 42.3 | Very low | 97 Ų | 97 | 143.4 Ų | 143.4 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | | | trans | -72.2 | 83.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P371 | P371-A373 PolarHBondContact O-N 3.2Å; P371-A373 VanDerWaalsContact O-N 3.11Å |
| 374 | E | 32.5 | Very low | 41.2 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 132.2 | 173.4 | -164.2 | 176.7 | 135.1 | 0 | 0 | 109.6 | T372 | T372-E374 VanDerWaalsContact C-N 3.28Å; T372-E374 PolarHBondContact O-N 3.24Å |
| 375 | P | 42.1 | Very low | 40.3 | Very low | 108 Ų | 108 | 146 Ų | 146 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 154.5 | -167.4 | 25.9 | -35.7 | 0 | 0 | 0 | 113.8 | Q377 | P375-Q377 PolarHBondContact O-N 3.34Š|
| 376 | A | 39.5 | Very low | 39.5 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 119.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 377 | Q | 31.8 | Very low | 38.5 | Very low | 169 Ų | 169 | 144.6 Ų | 144.6 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 146.9 | 163.2 | -61.4 | -161.6 | 20.5 | 0 | 0 | 110.8 | P375 | P375-Q377 PolarHBondContact O-N 3.34Š|
| 378 | L | 29.3 | Very low | 38.2 | Very low | 149 Ų | 149 | 148 Ų | 148 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 147.7 | -173.7 | -71.9 | 148.6 | 0 | 0 | 0 | 112.2 | | |
| 379 | Q | 36.2 | Very low | 37.9 | Very low | 166 Ų | 166 | 141.7 Ų | 141.7 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | | | trans | 23.2 | 148.2 | 136 | -58.4 | 170.4 | 19.6 | 0 | 0 | 120.9 | | |
| 380 | E | 32.6 | Very low | 37.1 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | | | cis | -171.2 | 123.8 | -17.9 | 177.1 | 176.9 | 117.4 | 0 | 0 | 109.8 | | |
| 381 | P | 40.8 | Very low | 36.6 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -141.6 | -176.1 | 153.2 | 39 | -23.8 | 0 | 0 | 0 | 114.6 | | |
| 382 | L | 29.6 | Very low | 36.1 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -123.9 | 142.9 | -176.4 | -100.1 | 72.9 | 0 | 0 | 0 | 112.6 | | |
| 383 | L | 33 | Very low | 36.2 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | | 68.4 | 147.8 | 128.3 | -167.2 | 149.1 | 0 | 0 | 0 | 120.1 | | |
| 384 | P | 39.6 | Very low | 35.7 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | cis | -124.3 | -175.4 | -10.1 | 39.3 | -22.7 | 0 | 0 | 0 | 115.4 | | |
| 385 | E | 39.5 | Very low | 35.8 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | | | trans | -73.1 | 161.7 | 160.9 | -79.7 | -164.3 | 111.9 | 0 | 0 | 113.3 | | |
| 386 | P | 42.3 | Very low | 35.5 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | | | | -147.7 | 161.7 | 106.4 | 39.6 | -24.6 | 0 | 0 | 0 | 117.8 | | |
| 387 | D | 28.2 | Very low | 35.2 | Very low | 147 Ų | 147 | 139.3 Ų | 139.3 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | | | trans | 48 | 109.9 | 147.1 | -59.7 | -31.1 | 0 | 0 | 0 | 122.4 | | |
| 388 | K | 40.4 | Very low | 35.3 | Very low | 218 Ų | 218 | 138.6 Ų | 138.6 | 95% | 0.948 | 79% | 0.788 | S | S | * | * | | | trans | -139.7 | 56 | 157.5 | -66.9 | -170.6 | -178.4 | 175.4 | 0 | 113.3 | | |
| 389 | A | 40.1 | Very low | 35.4 | Very low | 103 Ų | 103 | 139.6 Ų | 139.6 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | | | trans | -123.9 | 49.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 390 | A | 33.9 | Very low | 35.4 | Very low | 84 Ų | 84 | 139.2 Ų | 139.2 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | | | trans | -153.8 | 82.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 391 | L | 35.9 | Very low | 35.6 | Very low | 162 Ų | 162 | 136.9 Ų | 136.9 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | | | trans | -179.1 | 93.9 | 157.4 | -102.1 | 150.6 | 0 | 0 | 0 | 106.2 | | |
| 392 | I | 35.5 | Very low | 35.6 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | | | | 57 | 104.3 | 69.1 | -49.4 | 169.7 | 0 | 0 | 0 | 108.9 | | |
| 393 | A | 32.5 | Very low | 35.8 | Very low | 104 Ų | 104 | 138.8 Ų | 138.8 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | cis | 73.4 | 57.2 | 29.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 394 | A | 33.6 | Very low | 36.3 | Very low | 85 Ų | 85 | 141 Ų | 141 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | trans | -156.8 | 154.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 395 | A | 35.6 | Very low | 35.7 | Very low | 94 Ų | 94 | 138.8 Ų | 138.8 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | | | trans | 70 | 104.3 | -165.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 396 | E | 35.1 | Very low | 35.6 | Very low | 182 Ų | 182 | 136.4 Ų | 136.4 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | | | cis | 64.1 | 135.8 | 12 | -67.9 | -166.4 | 156 | 0 | 0 | 117.5 | | |
| 397 | D | 33.3 | Very low | 35.3 | Very low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 78% | 0.782 | S | S | * | * | | | trans | 45.5 | 118.1 | 169.3 | -72.7 | 4 | 0 | 0 | 0 | 122.2 | | |
| 398 | D | 33.8 | Very low | 35.5 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | | -154.6 | 105.7 | 114.5 | -146.3 | 45.2 | 0 | 0 | 0 | 110.2 | | |
| 399 | E | 32.3 | Very low | 35.4 | Very low | 170 Ų | 170 | 130.2 Ų | 130.2 | 79% | 0.794 | 77% | 0.769 | S | S | * | * | | | trans | 38.9 | 105.1 | 131.1 | -146.3 | 162.4 | -118.5 | 0 | 0 | 118.5 | | |
| 400 | D | 36.1 | Very low | 34.8 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | | | | 89.8 | 161.8 | 50.3 | -163.1 | 36.4 | 0 | 0 | 0 | 115.6 | | |
| 401 | D | 37.4 | Very low | 34.7 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 60% | 0.599 | 77% | 0.77 | S | S | * | * | | | trans | 101.1 | 142.3 | 162.5 | -158 | 13.9 | 0 | 0 | 0 | 119.1 | | |
| 402 | K | 39.9 | Very low | 34.5 | Very low | 166 Ų | 166 | 126.7 Ų | 126.7 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | 81.1 | 56.3 | 171.2 | -53.8 | -164 | 173.1 | 60 | 0 | 118.7 | | |
| 403 | D | 34.8 | Very low | 34.7 | Very low | 138 Ų | 138 | 124.1 Ų | 124.1 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | | 30.5 | 100.9 | 105 | -177.9 | 29.8 | 0 | 0 | 0 | 117.2 | | |
| 404 | K | 41.5 | Very low | 34.8 | Very low | 200 Ų | 200 | 127.9 Ų | 127.9 | 87% | 0.87 | 75% | 0.748 | S | S | * | * | | | | -165.6 | 128 | 125.8 | -106.6 | 168 | -175.4 | 176.8 | 0 | 109.7 | | |
| 405 | G | 28.7 | Very low | 34.9 | Very low | 62 Ų | 62 | 128.7 Ų | 128.7 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | | | cis | 101.1 | 59.8 | 11 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 406 | D | 36.8 | Very low | 34.5 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 69% | 0.69 | 74% | 0.743 | S | S | * | * | | | | -150.5 | 144 | 124.4 | -157.9 | -76.2 | 0 | 0 | 0 | 109.8 | T408 | D406-T408 WeakPolarHBondContact OD1-CB 3.47Å; D406-T408 PolarHBondContact OD1-N 2.87Å; D406-T408 PolarHBondContact OD1-OG1 3.32Å |
| 407 | A | 36.3 | Very low | 34.3 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | | | trans | -134.6 | 60.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 408 | T | 31.2 | Very low | 34.6 | Very low | 115 Ų | 115 | 135 Ų | 135 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | trans | -136.2 | 145 | 176.4 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | D406 | D406-T408 WeakPolarHBondContact OD1-CB 3.47Å; D406-T408 PolarHBondContact OD1-N 2.87Å; D406-T408 PolarHBondContact OD1-OG1 3.32Å |
| 409 | T | 38.2 | Very low | 35 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | | | cis | -125.6 | 130.6 | -11.3 | 53.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 410 | D | 28.3 | Very low | 35.3 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | | | | 15.1 | 109.8 | 118.7 | -163.3 | -57 | 0 | 0 | 0 | 116.9 | A412 | D410-A412 WeakPolarHBondContact OD1-CA 3.36Å; D410-A412 WeakPolarHBondContact OD1-CB 3.35Å; D410-A412 PolarHBondContact OD1-N 3.46Å |
| 411 | G | 31.9 | Very low | 35.4 | Very low | 83 Ų | 83 | 140.2 Ų | 140.2 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | | | trans | -114.1 | 56 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 412 | A | 32.5 | Very low | 35.4 | Very low | 56 Ų | 56 | 144 Ų | 144 | 46% | 0.463 | 76% | 0.76 | S | S | . | * | | | trans | -54.3 | 153.5 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D410 | D410-A412 WeakPolarHBondContact OD1-CA 3.36Å; D410-A412 WeakPolarHBondContact OD1-CB 3.35Å; D410-A412 PolarHBondContact OD1-N 3.46Å |
| 413 | A | 39.8 | Very low | 35.4 | Very low | 82 Ų | 82 | 144.1 Ų | 144.1 | 68% | 0.678 | 76% | 0.761 | S | S | * | * | | | trans | -53 | 168.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 414 | K | 33 | Very low | 35.7 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | 96.3 | 144 | 176.1 | -51.8 | 147.1 | -164.4 | 163.3 | 0 | 112.6 | | |
| 415 | T | 36.1 | Very low | 35.2 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 63% | 0.632 | 75% | 0.749 | S | S | * | * | | | cis | -167.7 | 171.5 | -8.1 | 26 | 0 | 0 | 0 | 0 | 113.3 | | |
| 416 | K | 27.3 | Very low | 35.3 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | | | trans | 76 | 112.6 | 133.4 | -83.1 | 160.4 | -168 | 163.9 | 0 | 121.5 | | |
| 417 | K | 31.5 | Very low | 34.8 | Very low | 188 Ų | 188 | 144.7 Ų | 144.7 | 82% | 0.817 | 76% | 0.758 | S | S | * | * | | | | 83.4 | 105.7 | 101.5 | -172.8 | -172.5 | 177.6 | -178.4 | 0 | 120.2 | | |
| 418 | K | 39 | Very low | 35 | Very low | 205 Ų | 205 | 149.4 Ų | 149.4 | 89% | 0.891 | 76% | 0.762 | S | S | * | * | | | trans | -151.4 | 145.3 | 131.9 | -104 | 173.5 | -180 | 169.7 | 0 | 108.1 | | |
| 419 | K | 41.7 | Very low | 34.8 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | cis | 163.3 | 150.9 | -14.5 | 167.3 | 175.1 | 177.3 | -179.7 | 0 | 105.8 | | |
| 420 | K | 39.8 | Very low | 34.2 | Very low | 205 Ų | 205 | 145.4 Ų | 145.4 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | | | trans | 95.1 | 141.9 | -173.4 | -161.9 | 178.8 | -176.6 | 179.8 | 0 | 110.2 | | |
| 421 | K | 37.4 | Very low | 34.4 | Very low | 196 Ų | 196 | 145.6 Ų | 145.6 | 85% | 0.852 | 77% | 0.774 | S | S | * | * | | | cis | -108.5 | -86.3 | 6.4 | -169.6 | -177.5 | 179.4 | -177 | 0 | 114.1 | | |
| 422 | K | 38.8 | Very low | 34.7 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | | | trans | -174.5 | 157.5 | -167 | -111.7 | -179.3 | -179.6 | 176.4 | 0 | 108.2 | | |
| 423 | K | 39.4 | Very low | 34.4 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | cis | -172.3 | 129.4 | 3.8 | -171.9 | -160.8 | 172.2 | -162.8 | 0 | 114.4 | | |
| 424 | K | 41.2 | Very low | 33.6 | Very low | 162 Ų | 162 | 153.3 Ų | 153.3 | 70% | 0.704 | 79% | 0.794 | S | S | * | * | | | trans | 42.2 | 168 | 145.9 | -64.4 | -164.8 | 149.7 | -135 | 0 | 121.4 | | |
| 425 | T | 31.3 | Very low | 33.3 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | | | cis | -154.7 | 167.4 | 1.1 | -4.1 | 0 | 0 | 0 | 0 | 106.8 | | |
| 426 | S | 29.9 | Very low | 32.8 | Very low | 102 Ų | 102 | 152.9 Ų | 152.9 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | | | cis | -136.6 | 146.6 | 11.8 | -96.7 | 0 | 0 | 0 | 0 | 108.6 | | |
| 427 | E | 27.2 | Very low | 32.7 | Very low | 171 Ų | 171 | 152.8 Ų | 152.8 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | | | | 80.9 | 112.5 | 58 | -153 | 163.4 | 123.9 | 0 | 0 | 112.6 | | |
| 428 | E | 39.4 | Very low | 32.5 | Very low | 202 Ų | 202 | 151 Ų | 151 | 94% | 0.944 | 80% | 0.802 | S | S | * | * | | | trans | -149.3 | 149.4 | -170.1 | -174.9 | -159.2 | 128.2 | 0 | 0 | 109 | | |
| 429 | G | 26.8 | Very low | 31.9 | Very low | 74 Ų | 74 | 145.5 Ų | 145.5 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | | | trans | 158 | 150.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 430 | G | 25.2 | Very low | 31.5 | Very low | 79 Ų | 79 | 146.3 Ų | 146.3 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | | | cis | -175.1 | 166.3 | -4.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 431 | T | 33 | Very low | 31 | Very low | 140 Ų | 140 | 145.6 Ų | 145.6 | 86% | 0.859 | 80% | 0.798 | S | S | * | * | | | trans | -102.5 | 178.8 | 177.9 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 432 | P | 38.8 | Very low | 30.6 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | | | cis | -135.8 | -178.3 | -1 | 43.3 | -26.6 | 0 | 0 | 0 | 115.9 | | |
| 433 | G | 24.8 | Very low | 29.9 | Very low | 72 Ų | 72 | 141.2 Ų | 141.2 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | 83.5 | 93 | 130.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | | |
| 434 | Q | 25 | Very low | 29.3 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | | | trans | 63.9 | 155.2 | 138 | -142.3 | 174.8 | 2.7 | 0 | 0 | 123.1 | | |
| 435 | V | 25.5 | Very low | 28.6 | Very low | 124 Ų | 124 | 134 Ų | 134 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | | | trans | 76.6 | 142.5 | 173 | -52.2 | 0 | 0 | 0 | 0 | 119.8 | | |
| 436 | D | 25.6 | Very low | 28.7 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | | | trans | -9.4 | 138.8 | -176 | -62.4 | -106.8 | 0 | 0 | 0 | 120 | | |
| 437 | E | 25.1 | Very low | 28.8 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | | -160.5 | 160.2 | 54.2 | -152.5 | -167 | 88.7 | 0 | 0 | 113.6 | | |
| 438 | L | 27 | Very low | 29.3 | Very low | 150 Ų | 150 | 133 Ų | 133 | 79% | 0.785 | 82% | 0.818 | S | S | * | * | | | trans | 50.3 | 101.5 | 153 | -157.2 | 76.6 | 0 | 0 | 0 | 121.2 | | |
| 439 | A | 28.1 | Very low | 28.8 | Very low | 90 Ų | 90 | 127.7 Ų | 127.7 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | | | | 167.4 | 125.5 | 110 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 440 | K | 33.2 | Very low | 29.2 | Very low | 208 Ų | 208 | 130.6 Ų | 130.6 | 90% | 0.904 | 81% | 0.812 | S | S | * | * | | | trans | 54.9 | 110.5 | 155.9 | -74.8 | -173 | 172.4 | -177.9 | 0 | 120.7 | | |
| 441 | E | 27.6 | Very low | 29.5 | Very low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | | | trans | -55.9 | 157.6 | 146.3 | -58.3 | 158.5 | 84.8 | 0 | 0 | 112.9 | | |
| 442 | A | 29.1 | Very low | 29.4 | Very low | 103 Ų | 103 | 131 Ų | 131 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -166.8 | 86.9 | 130.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 443 | E | 25.7 | Very low | 29 | Very low | 191 Ų | 191 | 134.2 Ų | 134.2 | 89% | 0.893 | 80% | 0.804 | S | S | * | * | | | trans | -84.5 | 179.9 | 157.2 | -144.6 | -161.2 | 118.3 | 0 | 0 | 110.3 | | |
| 444 | A | 26.2 | Very low | 29.3 | Very low | 88 Ų | 88 | 140.2 Ų | 140.2 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -49.9 | 132.3 | -167.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 445 | A | 26.4 | Very low | 30.1 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | | | | -177 | 138.1 | 125.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 446 | P | 32.6 | Very low | 31.4 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | | | trans | -112.1 | 94 | 163.8 | 35.6 | -26 | 0 | 0 | 0 | 113 | | |
| 447 | A | 33.5 | Very low | 32.4 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | | | trans | -165.4 | 146.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 448 | P | 37.6 | Very low | 32.6 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | | -149.2 | 164.1 | 55.5 | 40.4 | -21.3 | 0 | 0 | 0 | 117.8 | | |
| 449 | A | 28.9 | Very low | 32.9 | Very low | 92 Ų | 92 | 132.5 Ų | 132.5 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | | | trans | -156.6 | 101.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 450 | V | 34 | Very low | 32.9 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | 56.9 | 137.8 | 152 | -117.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 451 | S | 31.2 | Very low | 32.8 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | | | trans | 76.6 | 147.2 | 148.3 | -65.5 | 0 | 0 | 0 | 0 | 120.4 | | |
| 452 | V | 32.7 | Very low | 32.9 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | | | cis | -165.9 | 148.3 | -21.9 | 114.2 | 0 | 0 | 0 | 0 | 111 | | |
| 453 | K | 29.3 | Very low | 32.9 | Very low | 190 Ų | 190 | 127.5 Ų | 127.5 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | trans | 47.3 | 103.9 | 162.1 | -67.2 | 172.3 | -178.9 | 175.9 | 0 | 123.1 | | |
| 454 | K | 31.4 | Very low | 33.2 | Very low | 197 Ų | 197 | 123 Ų | 123 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | | 29.6 | 143.8 | 99.5 | -166.8 | 177.1 | -178.8 | 172.9 | 0 | 119.7 | | |
| 455 | P | 42.1 | Very low | 33.5 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | | | cis | -135.2 | -133.3 | -15.6 | 40.9 | -16.2 | 0 | 0 | 0 | 116.6 | | |
| 456 | P | 52.8 | Low | 33.7 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -127.1 | -138 | -133.2 | 41.6 | -14.4 | 0 | 0 | 0 | 113.5 | | |
| 457 | P | 47 | Very low | 33.7 | Very low | 105 Ų | 105 | 128.9 Ų | 128.9 | 68% | 0.682 | 78% | 0.781 | S | S | * | * | | | cis | -138.3 | -165.3 | -17.2 | 32.9 | -7.3 | 0 | 0 | 0 | 116.7 | | |
| 458 | V | 29.1 | Very low | 33.4 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 77% | 0.77 | 78% | 0.779 | S | S | * | * | | | trans | 60.9 | 164.3 | 165.4 | -100 | 0 | 0 | 0 | 0 | 118.8 | | |
| 459 | E | 32.1 | Very low | 33 | Very low | 168 Ų | 168 | 133.5 Ų | 133.5 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | cis | -143.6 | 143.8 | 5 | -116.8 | 165 | 108.2 | 0 | 0 | 107.3 | | |
| 460 | E | 28.3 | Very low | 33 | Very low | 156 Ų | 156 | 133 Ų | 133 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | | | | 91.6 | 134.4 | 74.2 | -168.1 | 160.2 | 166.1 | 0 | 0 | 118.1 | | |
| 461 | N | 31.5 | Very low | 32.7 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | | | trans | 17 | 127.7 | 164.3 | -77.5 | -56.3 | 0 | 0 | 0 | 124.7 | | |
| 462 | A | 30.1 | Very low | 32.4 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 78% | 0.777 | S | S | * | * | | | | 176.2 | 137.1 | 111 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 463 | A | 29.5 | Very low | 32.3 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | cis | 75 | 120.8 | 35.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 464 | A | 30 | Very low | 32.3 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | | | cis | -127.6 | -122.5 | -11.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 465 | V | 32.8 | Very low | 32.2 | Very low | 139 Ų | 139 | 126.9 Ų | 126.9 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | | | cis | -149.2 | 173.3 | 8.3 | -170.1 | 0 | 0 | 0 | 0 | 108.2 | | |
| 466 | Q | 31.5 | Very low | 31.7 | Very low | 178 Ų | 178 | 133 Ų | 133 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | | | trans | -114.5 | 152.1 | 178.1 | -58.1 | 173.7 | -12.7 | 0 | 0 | 114.1 | | |
| 467 | S | 31.3 | Very low | 30.4 | Very low | 118 Ų | 118 | 131.1 Ų | 131.1 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -169 | 86.3 | 147 | 58.7 | 0 | 0 | 0 | 0 | 116.5 | | |
| 468 | V | 28.9 | Very low | 29.5 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | | | trans | 17.5 | 135.2 | 132.6 | -175.5 | 0 | 0 | 0 | 0 | 122.2 | | |
| 469 | K | 28.8 | Very low | 29.7 | Very low | 202 Ų | 202 | 136.7 Ų | 136.7 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | | | trans | 68.3 | 159.2 | 157.6 | -81.1 | 176.4 | 171.5 | 178.5 | 0 | 119.4 | | |
| 470 | A | 28.5 | Very low | 30.4 | Very low | 83 Ų | 83 | 134 Ų | 134 | 69% | 0.686 | 80% | 0.795 | S | S | * | * | | | cis | -176.7 | 168.9 | -32.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 471 | A | 28 | Very low | 30.4 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | 51.7 | 107.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 472 | A | 25.3 | Very low | 30.5 | Very low | 99 Ų | 99 | 134.4 Ų | 134.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | | 70.2 | 115.9 | 75.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 473 | V | 30.4 | Very low | 30.5 | Very low | 150 Ų | 150 | 136.9 Ų | 136.9 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -168.1 | 151.8 | 141.2 | 134.6 | 0 | 0 | 0 | 0 | 109.7 | | |
| 474 | E | 29.3 | Very low | 30.6 | Very low | 176 Ų | 176 | 138.1 Ų | 138.1 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | | | trans | -83.4 | 141.8 | -179.2 | -178.3 | -171.6 | 157.8 | 0 | 0 | 112.7 | | |
| 475 | A | 29.3 | Very low | 30.8 | Very low | 102 Ų | 102 | 140.5 Ų | 140.5 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -152.7 | 140.4 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 476 | R | 30.5 | Very low | 30.7 | Very low | 239 Ų | 239 | 138.9 Ų | 138.9 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | | | trans | -128.9 | 134.7 | -173 | -174 | -176.4 | -171.2 | -90.1 | 5.3 | 111.7 | | |
| 477 | G | 26.6 | Very low | 30.7 | Very low | 72 Ų | 72 | 140 Ų | 140 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | 117 | 159.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 478 | D | 27.6 | Very low | 30.9 | Very low | 134 Ų | 134 | 144 Ų | 144 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | cis | -158 | 167.3 | -8.6 | -167.2 | -141 | 0 | 0 | 0 | 110.1 | | |
| 479 | R | 33.3 | Very low | 31.6 | Very low | 215 Ų | 215 | 143.5 Ų | 143.5 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | | | trans | 75.3 | 158.6 | 159.1 | -83.3 | 154.9 | -175.3 | -91.8 | -10.5 | 120.9 | | |
| 480 | P | 47.5 | Very low | 32.2 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | | | trans | -145.6 | -135.6 | -139.4 | 42 | -16.8 | 0 | 0 | 0 | 114.2 | | |
| 481 | V | 27.9 | Very low | 32.3 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | | | trans | 86 | 105.7 | 165.9 | -175.1 | 0 | 0 | 0 | 0 | 117.4 | | |
| 482 | K | 33.7 | Very low | 32.6 | Very low | 197 Ų | 197 | 142.6 Ų | 142.6 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | | -169.5 | 129.5 | 102.3 | -118.2 | 119 | -170.1 | 175.5 | 0 | 113.4 | | |
| 483 | D | 30.1 | Very low | 32.9 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -75.8 | 170.2 | 163.5 | -49.6 | -101.1 | 0 | 0 | 0 | 111.8 | | |
| 484 | T | 31.2 | Very low | 33.1 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | | | | 177.2 | 103.7 | 126.8 | -74.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 485 | I | 34.5 | Very low | 33.6 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | trans | 65.3 | 113.6 | 134.5 | -57.5 | 179.7 | 0 | 0 | 0 | 122.3 | | |
| 486 | S | 29.6 | Very low | 33.8 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | 38 | 130.5 | 134.5 | -52.5 | 0 | 0 | 0 | 0 | 124.6 | | |
| 487 | Q | 32 | Very low | 33.9 | Very low | 200 Ų | 200 | 145.4 Ų | 145.4 | 94% | 0.935 | 78% | 0.784 | S | S | * | * | | | | -148.9 | 165.3 | 115.1 | -113.3 | 176.8 | 72.8 | 0 | 0 | 111.6 | | |
| 488 | K | 36 | Very low | 35.1 | Very low | 203 Ų | 203 | 147.1 Ų | 147.1 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -113.4 | 161.9 | -172.3 | -104.5 | -170.2 | 175.5 | -177.9 | 0 | 113.2 | | |
| 489 | P | 43.4 | Very low | 35.3 | Very low | 109 Ų | 109 | 147.6 Ų | 147.6 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | trans | -100.3 | 165.5 | -162.2 | 39.1 | -37.8 | 0 | 0 | 0 | 116.1 | | |
| 490 | P | 41.1 | Very low | 35.2 | Very low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | | | trans | -90.9 | 104.5 | 170.7 | 34.4 | -31.7 | 0 | 0 | 0 | 114.1 | | |
| 491 | V | 31.5 | Very low | 34.2 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | | 27.3 | 109.6 | 129.2 | -179.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 492 | T | 33.1 | Very low | 34.4 | Very low | 109 Ų | 109 | 144.2 Ų | 144.2 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | | | | 53.2 | 122.8 | 128 | -46.7 | 0 | 0 | 0 | 0 | 122.5 | V494 | T492-V494 HydrophobicContact CG2-CG2 3.81Š|
| 493 | Q | 33 | Very low | 35.1 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | | | trans | -131.8 | 159 | 134.6 | -76.8 | -159.6 | 37.1 | 0 | 0 | 110.6 | | |
| 494 | V | 34.7 | Very low | 35 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | -120.4 | 138.5 | -166 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | T492 | T492-V494 HydrophobicContact CG2-CG2 3.81Š|
| 495 | P | 38.1 | Very low | 35 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -72 | 135.6 | 174.3 | -13.8 | 29.1 | 0 | 0 | 0 | 112.5 | | |
| 496 | Q | 33.6 | Very low | 34.9 | Very low | 194 Ų | 194 | 138.4 Ų | 138.4 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | | | trans | -102.8 | 152.1 | 173.3 | -66.8 | -168.8 | 8.7 | 0 | 0 | 112.9 | | |
| 497 | K | 34.5 | Very low | 35.2 | Very low | 193 Ų | 193 | 141.5 Ų | 141.5 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | | | trans | -169.3 | 160.1 | -178.6 | -174.4 | -174.1 | 178.2 | -170.8 | 0 | 108.3 | | |
| 498 | P | 50.7 | Low | 35.1 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | | | cis | -103.8 | -159.2 | -45.5 | 38 | -24 | 0 | 0 | 0 | 109.5 | | |
| 499 | T | 32.7 | Very low | 35.2 | Very low | 145 Ų | 145 | 134.6 Ų | 134.6 | 89% | 0.89 | 77% | 0.773 | S | S | * | * | | | trans | -142 | 142.7 | 159.2 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 500 | D | 30.2 | Very low | 35 | Very low | 160 Ų | 160 | 136.5 Ų | 136.5 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | | | trans | -106.5 | 160.3 | -178.6 | -159.8 | -65.1 | 0 | 0 | 0 | 109.5 | | |
| 501 | G | 27.6 | Very low | 35 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | | | trans | 154.1 | 79 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 502 | D | 31 | Very low | 35 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | trans | -73 | 151.4 | 159.8 | -176 | -103 | 0 | 0 | 0 | 110.9 | A504 | D502-A504 PolarHBondContact OD1-N 2.8Š|
| 503 | P | 48.8 | Very low | 36.1 | Very low | 122 Ų | 122 | 134.4 Ų | 134.4 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | | | | -142.8 | 112.8 | 124.5 | 34.6 | -19.8 | 0 | 0 | 0 | 114.6 | | |
| 504 | A | 27.8 | Very low | 36 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 69% | 0.694 | 77% | 0.767 | S | S | * | * | | | trans | -76.1 | 130.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D502 | D502-A504 PolarHBondContact OD1-N 2.8Š|
| 505 | A | 30.9 | Very low | 36 | Very low | 91 Ų | 91 | 132.8 Ų | 132.8 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -157.5 | 94.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 506 | K | 32.7 | Very low | 35.6 | Very low | 193 Ų | 193 | 134.6 Ų | 134.6 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | | | trans | 67.9 | 134 | 134.8 | -69.1 | 177.1 | 179.3 | 172.4 | 0 | 122.7 | | |
| 507 | Q | 35.3 | Very low | 35.6 | Very low | 171 Ų | 171 | 135.3 Ų | 135.3 | 80% | 0.799 | 77% | 0.766 | S | S | * | * | | | trans | 84.6 | 136.2 | 145.3 | -74.5 | 174.5 | -8.6 | 0 | 0 | 118.7 | | |
| 508 | N | 31 | Very low | 35.6 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | | | cis | -148.2 | 144.6 | 3.1 | -143.7 | 5.2 | 0 | 0 | 0 | 117.2 | | |
| 509 | N | 37.4 | Very low | 34.5 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | | | trans | 56.4 | 120.4 | 151.9 | -77.8 | -16.7 | 0 | 0 | 0 | 123.5 | | |
| 510 | L | 39.6 | Very low | 34.3 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -64.6 | 174.3 | 144.4 | -68.6 | 161 | 0 | 0 | 0 | 111.1 | | |
| 511 | P | 40.2 | Very low | 34.3 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | | -130.4 | 157 | 105 | 37.8 | -33.1 | 0 | 0 | 0 | 114.7 | | |
| 512 | A | 31.5 | Very low | 34.6 | Very low | 80 Ų | 80 | 138 Ų | 138 | 66% | 0.661 | 75% | 0.753 | S | S | * | * | | | trans | -134 | -176.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 513 | P | 57.6 | Low | 34.9 | Very low | 107 Ų | 107 | 138.7 Ų | 138.7 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | | | cis | -117.9 | -149.3 | -49.4 | 32.1 | -15.4 | 0 | 0 | 0 | 109.6 | | |
| 514 | T | 29.5 | Very low | 34.5 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 77% | 0.767 | 75% | 0.751 | S | S | * | * | | | trans | 79.2 | 156.6 | 168.5 | 84.6 | 0 | 0 | 0 | 0 | 115.9 | | |
| 515 | Q | 34.7 | Very low | 35.1 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | cis | -134 | 144.6 | 7.9 | -86.5 | -163.5 | 68.5 | 0 | 0 | 115 | | |
| 516 | Q | 30.8 | Very low | 35.4 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | | | trans | 30.6 | 134.5 | 132.8 | -46.4 | -175.4 | 22.3 | 0 | 0 | 122.5 | | |
| 517 | K | 34 | Very low | 35.9 | Very low | 208 Ų | 208 | 140.3 Ų | 140.3 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | | | | -148.3 | 138.7 | 109 | -140.1 | 176.7 | -177.4 | 177.8 | 0 | 112 | | |
| 518 | K | 33.7 | Very low | 36.4 | Very low | 185 Ų | 185 | 136.8 Ų | 136.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | trans | -89.8 | 171.9 | 164.2 | -69.2 | -174.5 | 176.5 | -177.8 | 0 | 108.5 | | |
| 519 | T | 28.4 | Very low | 36.9 | Very low | 124 Ų | 124 | 141 Ų | 141 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | | | | -173.6 | 177.9 | 57.9 | -63.2 | 0 | 0 | 0 | 0 | 109.7 | | |
| 520 | E | 27.5 | Very low | 37.4 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | | | trans | 78.5 | 108.1 | 171 | -121.7 | 153.6 | 104.1 | 0 | 0 | 114.1 | | |
| 521 | E | 31.3 | Very low | 38 | Very low | 165 Ų | 165 | 146.9 Ų | 146.9 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | | | cis | 83.2 | 138 | 35.2 | -149.5 | -139.9 | 101.3 | 0 | 0 | 114.6 | | |
| 522 | S | 32.2 | Very low | 38.1 | Very low | 80 Ų | 80 | 150.4 Ų | 150.4 | 56% | 0.559 | 78% | 0.777 | S | S | * | * | | | trans | 52.5 | 101.2 | 161.2 | -74.9 | 0 | 0 | 0 | 0 | 120.1 | | |
| 523 | Q | 37.4 | Very low | 39.1 | Very low | 149 Ų | 149 | 151 Ų | 151 | 70% | 0.696 | 78% | 0.782 | S | S | * | * | | | | -171.3 | 131.9 | 97.6 | -100.9 | 155.5 | 112.4 | 0 | 0 | 116.3 | | |
| 524 | V | 41.1 | Very low | 38.7 | Very low | 125 Ų | 125 | 155.3 Ų | 155.3 | 76% | 0.758 | 78% | 0.784 | S | S | * | * | | | trans | -74.4 | 138.2 | 155.3 | 176.3 | 0 | 0 | 0 | 0 | 109.1 | K526 | V524-K526 PolarHBondContact O-N 3.46Å; V524-K526 VanDerWaalsContact O-N 3.14Å |
| 525 | P | 39.6 | Very low | 39.9 | Very low | 121 Ų | 121 | 160.4 Ų | 160.4 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | trans | -59.6 | 115.4 | 172.8 | -25.2 | 35.5 | 0 | 0 | 0 | 112.2 | | |
| 526 | K | 37.8 | Very low | 40.8 | Very low | 154 Ų | 154 | 159.3 Ų | 159.3 | 67% | 0.67 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 140.4 | -177.1 | -69.7 | 152.8 | 177 | 156.7 | 0 | 111.6 | V524 A528 | V524-K526 PolarHBondContact O-N 3.46Å; V524-K526 VanDerWaalsContact O-N 3.14Å; K526-A528 PolarHBondContact O-N 3.35Å |
| 527 | P | 44.2 | Very low | 41.4 | Very low | 123 Ų | 123 | 161.1 Ų | 161.1 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 131.5 | 168.2 | 27.9 | -33.7 | 0 | 0 | 0 | 110.3 | K529 | P527-K529 PolarHBondContact O-N 3.41Š|
| 528 | A | 44.8 | Very low | 41.7 | Very low | 98 Ų | 98 | 158.8 Ų | 158.8 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 123.9 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | K526 K530 | K526-A528 PolarHBondContact O-N 3.35Å; A528-K530 PolarHBondContact O-N 3.12Å |
| 529 | K | 40.9 | Very low | 42.1 | Very low | 207 Ų | 207 | 157.4 Ų | 157.4 | 90% | 0.9 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 117.1 | 174.5 | -70.3 | -178.7 | 177.4 | 178.8 | 0 | 110.2 | P527 K531 | P527-K529 PolarHBondContact O-N 3.41Å; K529-K531 PolarHBondContact O-N 3.37Å |
| 530 | K | 48.2 | Very low | 42.9 | Very low | 211 Ų | 211 | 159.2 Ų | 159.2 | 92% | 0.917 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 119.3 | 167.7 | -78.8 | -170.8 | 174.6 | -177.9 | 0 | 109.7 | A528 K532 | A528-K530 PolarHBondContact O-N 3.12Å; K530-K532 PolarHBondContact O-N 2.79Å |
| 531 | K | 51.8 | Low | 43.8 | Very low | 201 Ų | 201 | 158.2 Ų | 158.2 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 119.7 | -178.3 | -168.1 | 175 | -177.1 | 179.3 | 0 | 110 | K529 A533 | K529-K531 PolarHBondContact O-N 3.37Å; K531-A533 PolarHBondContact O-N 3.39Å; K531-A533 VanDerWaalsContact O-N 3.12Å |
| 532 | K | 42.5 | Very low | 44.6 | Very low | 203 Ų | 203 | 157.8 Ų | 157.8 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -68 | 105.5 | 173.6 | -176.6 | 178.8 | -179.8 | -179.1 | 0 | 108.7 | K530 R534 | K530-K532 PolarHBondContact O-N 2.79Å; K532-R534 PolarHBondContact O-N 2.69Å; K532-R534 VanDerWaalsContact O-N 3.16Å |
| 533 | A | 53.7 | Low | 45.4 | Very low | 93 Ų | 93 | 163 Ų | 163 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | | | trans | -73.3 | 103.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K531 R535 | K531-A533 PolarHBondContact O-N 3.39Å; K531-A533 VanDerWaalsContact O-N 3.12Å; A533-R535 PolarHBondContact O-N 3.16Å |
| 534 | R | 48.2 | Very low | 46 | Very low | 197 Ų | 197 | 164 Ų | 164 | 74% | 0.743 | 83% | 0.83 | S | S | * | * | | | trans | -65.3 | 119.1 | 161.2 | 174.5 | 177.9 | 176 | 166.8 | -0.5 | 107.2 | K532 E536 | K532-R534 PolarHBondContact O-N 2.69Å; K532-R534 VanDerWaalsContact O-N 3.16Å; R534-E536 IonicContact CZ-OE1 3.5Å; R534-E536 IonicContact CZ-OE2 3.28Å; R534-E536 VanDerWaalsContact CZ-OE2 3.28Å; R534-E536 VanDerWaalsContact NE-CD 3.3Å; R534-E536 IonicContact NE-OE1 3.51Å; R534-E536 IonicContact NE-OE2 2.68Å; R534-E536 PolarHBondContact NE-OE2 2.68Å; R534-E536 VanDerWaalsContact NH2-CD 3.27Å; R534-E536 IonicContact NH2-OE1 2.69Å; R534-E536 PolarHBondContact NH2-OE1 3.11Å; R534-E536 IonicContact NH2-OE2 3.11Å; R534-E536 PolarHBondContact NH2-OE2 3.37Å; R534-E536 VanDerWaalsContact NH2-OE2 3.11Å |
| 535 | R | 55.1 | Low | 46.4 | Very low | 232 Ų | 232 | 167 Ų | 167 | 88% | 0.875 | 84% | 0.836 | S | S | * | * | | | trans | -123.2 | 100.8 | 164.6 | -165.7 | 180 | -164.9 | -173 | 4.5 | 107.4 | A533 | A533-R535 PolarHBondContact O-N 3.16Š|
| 536 | E | 53.2 | Low | 46.9 | Very low | 130 Ų | 130 | 170.8 Ų | 170.8 | 61% | 0.607 | 84% | 0.84 | S | S | * | * | | | trans | -80.4 | 120.2 | 157.7 | -73.1 | 146.9 | 131.7 | 0 | 0 | 107.3 | R534 | R534-E536 IonicContact CZ-OE1 3.5Å; R534-E536 IonicContact CZ-OE2 3.28Å; R534-E536 VanDerWaalsContact CZ-OE2 3.28Å; R534-E536 VanDerWaalsContact NE-CD 3.3Å; R534-E536 IonicContact NE-OE1 3.51Å; R534-E536 IonicContact NE-OE2 2.68Å; R534-E536 PolarHBondContact NE-OE2 2.68Å; R534-E536 VanDerWaalsContact NH2-CD 3.27Å; R534-E536 IonicContact NH2-OE1 2.69Å; R534-E536 PolarHBondContact NH2-OE1 3.11Å; R534-E536 IonicContact NH2-OE2 3.11Å; R534-E536 PolarHBondContact NH2-OE2 3.37Å; R534-E536 VanDerWaalsContact NH2-OE2 3.11Å |
| 537 | T | 42.9 | Very low | 47.8 | Very low | 201 Ų | 201 | 172.4 Ų | 172.4 | 100% | 1.233 | 86% | 0.856 | S | S | * | * | | | | -168.3 | 0 | 114.8 | 35.4 | 0 | 0 | 0 | 0 | 107.2 | | |