| 1 | M | 53.8 | Low | 80.3 | Confident | 243 Ų | 243 | 101.1 Ų | 101.1 | 100% | 1.197 | 59% | 0.589 | S | S | * | * | | | | 0 | 98.9 | 0 | -161.9 | 156.6 | 78.2 | 0 | 0 | 107.8 | I3 | M1-I3 PolarHBondContact O-N 3.32Š|
| 2 | G | 53.7 | Low | 81.3 | Confident | 71 Ų | 71 | 101 Ų | 101 | 73% | 0.732 | 58% | 0.583 | S | S | * | * | | | trans | -80.5 | 107.7 | -169 | 0 | 0 | 0 | 0 | 0 | 112.6 | T4 | G2-T4 VanDerWaalsContact C-N 3.27Å; G2-T4 PolarHBondContact O-N 3.21Å |
| 3 | I | 64 | Low | 82.2 | Confident | 150 Ų | 150 | 101.9 Ų | 101.9 | 77% | 0.769 | 58% | 0.583 | S | S | * | * | | | trans | -67.4 | 90.3 | 158.4 | 36.5 | 168.1 | 0 | 0 | 0 | 108.1 | M1 | M1-I3 PolarHBondContact O-N 3.32Š|
| 4 | T | 81.3 | Confident | 82.9 | Confident | 77 Ų | 77 | 105.5 Ų | 105.5 | 47% | 0.472 | 59% | 0.589 | S | S | . | * | | | trans | -75.3 | 149.7 | 171.5 | 60.4 | 0 | 0 | 0 | 0 | 109.2 | G2 I6 G7 D8 | G2-T4 VanDerWaalsContact C-N 3.27Å; G2-T4 PolarHBondContact O-N 3.21Å; T4-I6 PolarHBondContact O-N 3.22Å; T4-I6 VanDerWaalsContact O-N 3.08Å; T4-G7 WeakPolarHBondContact O-CA 2.98Å; T4-G7 PolarHBondContact O-N 2.78Å; T4-G7 PolarHBondContact OG1-N 3.29Å; T4-D8 PolarHBondContact O-N 3.21Å |
| 5 | V | 85.1 | Confident | 83.3 | Confident | 111 Ų | 111 | 107.3 Ų | 107.3 | 67% | 0.673 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -52.6 | -33.4 | 173.5 | -178.8 | 0 | 0 | 0 | 0 | 111.2 | D8 I9 | V5-D8 PolarHBondContact O-N 2.82Å; V5-I9 HydrophobicContact CG1-CD1 4Å; V5-I9 WeakPolarHBondContact O-CD1 3.41Å; V5-I9 VanDerWaalsContact O-CG1 3.26Å; V5-I9 WeakPolarHBondContact O-CG1 3.42Å; V5-I9 PolarHBondContact O-N 2.69Å |
| 6 | I | 88.2 | Confident | 83.6 | Confident | 117 Ų | 117 | 105.1 Ų | 105.1 | 60% | 0.6 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -62.1 | -41.9 | 174.2 | -62.8 | 160.3 | 0 | 0 | 0 | 111.6 | T4 I9 I10 | T4-I6 PolarHBondContact O-N 3.22Å; T4-I6 VanDerWaalsContact O-N 3.08Å; I6-I9 PolarHBondContact O-N 3.14Å; I6-I10 HydrophobicContact CG2-CD1 3.86Å; I6-I10 WeakPolarHBondContact O-CD1 3.44Å; I6-I10 VanDerWaalsContact O-CG1 3.25Å; I6-I10 WeakPolarHBondContact O-CG1 3.38Å; I6-I10 PolarHBondContact O-N 2.83Å |
| 7 | G | 91.2 | Very high | 83.9 | Confident | 27 Ų | 27 | 108.9 Ų | 108.9 | 28% | 0.278 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -63.8 | -39.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T4 S11 | T4-G7 WeakPolarHBondContact O-CA 2.98Å; T4-G7 PolarHBondContact O-N 2.78Å; T4-G7 PolarHBondContact OG1-N 3.29Å; G7-S11 WeakPolarHBondContact O-CB 3.48Å; G7-S11 PolarHBondContact O-N 2.92Å; G7-S11 PolarHBondContact O-OG 3.1Å |
| 8 | D | 90.8 | Very high | 84 | Confident | 82 Ų | 82 | 110.6 Ų | 110.6 | 44% | 0.439 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67.3 | -45 | 175.2 | -72.1 | -21.3 | 0 | 0 | 0 | 111.4 | T4 V5 I10 S11 I12 | T4-D8 PolarHBondContact O-N 3.21Å; V5-D8 PolarHBondContact O-N 2.82Å; D8-I10 VanDerWaalsContact C-N 3.34Å; D8-I10 PolarHBondContact O-N 3.22Å; D8-S11 PolarHBondContact O-N 3.46Å; D8-S11 VanDerWaalsContact O-N 3.11Å; D8-I12 VanDerWaalsContact O-CG1 3.3Å; D8-I12 WeakPolarHBondContact O-CG1 3.26Å; D8-I12 PolarHBondContact O-N 3.5Å |
| 9 | I | 92.9 | Very high | 83.8 | Confident | 89 Ų | 89 | 109.7 Ų | 109.7 | 46% | 0.456 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -56.4 | -47.7 | 175 | -69.1 | 163.6 | 0 | 0 | 0 | 110.7 | V5 I6 S11 I12 L13 | V5-I9 HydrophobicContact CG1-CD1 4Å; V5-I9 WeakPolarHBondContact O-CD1 3.41Å; V5-I9 VanDerWaalsContact O-CG1 3.26Å; V5-I9 WeakPolarHBondContact O-CG1 3.42Å; V5-I9 PolarHBondContact O-N 2.69Å; I6-I9 PolarHBondContact O-N 3.14Å; I9-S11 VanDerWaalsContact C-N 3.3Å; I9-S11 PolarHBondContact O-N 3.42Å; I9-I12 PolarHBondContact O-N 3.02Å; I9-L13 HydrophobicContact CG2-CD1 3.89Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 VanDerWaalsContact O-CG 3.27Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 2.78Å |
| 10 | I | 91.8 | Very high | 83 | Confident | 81 Ų | 81 | 114.8 Ų | 114.8 | 42% | 0.415 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.9 | -38.3 | 177.8 | -68.2 | 164.9 | 0 | 0 | 0 | 111.2 | I6 D8 K14 | I6-I10 HydrophobicContact CG2-CD1 3.86Å; I6-I10 WeakPolarHBondContact O-CD1 3.44Å; I6-I10 VanDerWaalsContact O-CG1 3.25Å; I6-I10 WeakPolarHBondContact O-CG1 3.38Å; I6-I10 PolarHBondContact O-N 2.83Å; D8-I10 VanDerWaalsContact C-N 3.34Å; D8-I10 PolarHBondContact O-N 3.22Å; I10-K14 HydrophobicContact CG2-CD 4.27Å; I10-K14 WeakPolarHBondContact O-CB 3.26Å; I10-K14 WeakPolarHBondContact O-CG 3.41Å; I10-K14 PolarHBondContact O-N 3.09Å |
| 11 | S | 90.6 | Very high | 82.1 | Confident | 64 Ų | 64 | 116 Ų | 116 | 45% | 0.448 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.1 | -42.9 | 179.6 | -60.8 | 0 | 0 | 0 | 0 | 112 | G7 D8 I9 K14 Q15 | G7-S11 WeakPolarHBondContact O-CB 3.48Å; G7-S11 PolarHBondContact O-N 2.92Å; G7-S11 PolarHBondContact O-OG 3.1Å; D8-S11 PolarHBondContact O-N 3.46Å; D8-S11 VanDerWaalsContact O-N 3.11Å; I9-S11 VanDerWaalsContact C-N 3.3Å; I9-S11 PolarHBondContact O-N 3.42Å; S11-K14 PolarHBondContact O-N 3.15Å; S11-Q15 PolarHBondContact O-N 2.85Å |
| 12 | I | 92.1 | Very high | 82.4 | Confident | 100 Ų | 100 | 110 Ų | 110 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.2 | -50 | 173.6 | -67.2 | 163.4 | 0 | 0 | 0 | 110 | D8 I9 K14 Q15 C16 | D8-I12 VanDerWaalsContact O-CG1 3.3Å; D8-I12 WeakPolarHBondContact O-CG1 3.26Å; D8-I12 PolarHBondContact O-N 3.5Å; I9-I12 PolarHBondContact O-N 3.02Å; I12-K14 VanDerWaalsContact C-N 3.31Å; I12-K14 PolarHBondContact O-N 2.85Å; I12-Q15 PolarHBondContact O-N 3.05Å; I12-Q15 VanDerWaalsContact O-N 3.11Å; I12-C16 PolarHBondContact O-N 3.14Å; I12-C16 PolarHBondContact O-SG 3.17Å |
| 13 | L | 93.2 | Very high | 82.6 | Confident | 113 Ų | 113 | 112.9 Ų | 112.9 | 59% | 0.592 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.5 | -39.3 | 178.8 | -71.4 | 171.3 | 0 | 0 | 0 | 112.6 | I9 C16 K17 | I9-L13 HydrophobicContact CG2-CD1 3.89Å; I9-L13 HydrophobicContact CG2-CG 4.47Å; I9-L13 WeakPolarHBondContact O-CB 3.39Å; I9-L13 VanDerWaalsContact O-CG 3.27Å; I9-L13 WeakPolarHBondContact O-CG 3.39Å; I9-L13 PolarHBondContact O-N 2.78Å; L13-C16 PolarHBondContact O-N 3.3Å; L13-K17 PolarHBondContact O-N 3.22Å |
| 14 | K | 91.5 | Very high | 82.2 | Confident | 152 Ų | 152 | 110.2 Ų | 110.2 | 66% | 0.661 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.5 | -44.4 | 173.3 | -80.1 | 178.3 | 175.2 | 179.5 | 0 | 112.2 | I10 S11 I12 K17 K18 | I10-K14 HydrophobicContact CG2-CD 4.27Å; I10-K14 WeakPolarHBondContact O-CB 3.26Å; I10-K14 WeakPolarHBondContact O-CG 3.41Å; I10-K14 PolarHBondContact O-N 3.09Å; S11-K14 PolarHBondContact O-N 3.15Å; I12-K14 VanDerWaalsContact C-N 3.31Å; I12-K14 PolarHBondContact O-N 2.85Å; K14-K17 PolarHBondContact O-N 2.86Å; K14-K18 PolarHBondContact O-N 3.01Å |
| 15 | Q | 89.2 | Confident | 81.3 | Confident | 133 Ų | 133 | 112.1 Ų | 112.1 | 62% | 0.621 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.1 | -45.5 | 175.7 | -74.9 | -170.5 | -3.2 | 0 | 0 | 111.7 | S11 I12 K17 K18 I19 | S11-Q15 PolarHBondContact O-N 2.85Å; I12-Q15 PolarHBondContact O-N 3.05Å; I12-Q15 VanDerWaalsContact O-N 3.11Å; Q15-K17 VanDerWaalsContact C-N 3.3Å; Q15-K17 PolarHBondContact O-N 3.17Å; Q15-K18 PolarHBondContact O-N 3.34Å; Q15-K18 VanDerWaalsContact O-N 3.14Å; Q15-I19 VanDerWaalsContact O-CG1 3.3Å; Q15-I19 WeakPolarHBondContact O-CG1 3.48Å; Q15-I19 PolarHBondContact O-N 3.29Å |
| 16 | C | 88.2 | Confident | 79.6 | Confident | 72 Ų | 72 | 110 Ų | 110 | 49% | 0.486 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -58.1 | -41.3 | 175.6 | -66.1 | 0 | 0 | 0 | 0 | 112.1 | I12 L13 R20 | I12-C16 PolarHBondContact O-N 3.14Å; I12-C16 PolarHBondContact O-SG 3.17Å; L13-C16 PolarHBondContact O-N 3.3Å; C16-R20 WeakPolarHBondContact O-CB 3.31Å; C16-R20 PolarHBondContact O-N 2.91Å |
| 17 | K | 88.3 | Confident | 77.9 | Confident | 169 Ų | 169 | 110.3 Ų | 110.3 | 74% | 0.735 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.7 | -40.3 | 175.8 | -171.9 | 173.7 | -179.7 | 177.6 | 0 | 112.2 | L13 K14 Q15 H21 | L13-K17 PolarHBondContact O-N 3.22Å; K14-K17 PolarHBondContact O-N 2.86Å; Q15-K17 VanDerWaalsContact C-N 3.3Å; Q15-K17 PolarHBondContact O-N 3.17Å; K17-H21 PolarHBondContact O-N 3.2Å |
| 18 | K | 85.3 | Confident | 76.1 | Confident | 140 Ų | 140 | 115 Ų | 115 | 61% | 0.609 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.7 | -52.3 | 174.8 | -172.4 | 176.8 | -179.2 | -178.9 | 0 | 111.1 | K14 Q15 R20 H21 E22 | K14-K18 PolarHBondContact O-N 3.01Å; Q15-K18 PolarHBondContact O-N 3.34Å; Q15-K18 VanDerWaalsContact O-N 3.14Å; K18-R20 PolarHBondContact O-N 3.17Å; K18-H21 WeakPolarHBondContact O-CB 3.38Å; K18-H21 PolarHBondContact O-N 3.05Å; K18-E22 WeakPolarHBondContact CE-OE1 3.42Å; K18-E22 HydrophobicContact CG-CG 4.19Å; K18-E22 WeakPolarHBondContact O-CG 3.34Å; K18-E22 PolarHBondContact O-N 3.39Å |
| 19 | I | 80.3 | Confident | 74.6 | Confident | 93 Ų | 93 | 116.5 Ų | 116.5 | 48% | 0.477 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -56.9 | -38.5 | -179.5 | -66.4 | 163 | 0 | 0 | 0 | 111.2 | Q15 H21 E22 L23 | Q15-I19 VanDerWaalsContact O-CG1 3.3Å; Q15-I19 WeakPolarHBondContact O-CG1 3.48Å; Q15-I19 PolarHBondContact O-N 3.29Å; I19-H21 PolarHBondContact O-N 3.47Å; I19-E22 PolarHBondContact O-N 3.26Å; I19-L23 HydrophobicContact CG2-CD1 3.72Å; I19-L23 HydrophobicContact CG2-CG 4.16Å; I19-L23 WeakPolarHBondContact O-CB 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.3Å; I19-L23 WeakPolarHBondContact O-CG 3.22Å; I19-L23 PolarHBondContact O-N 3.04Å |
| 20 | R | 69.1 | Low | 72.6 | Confident | 211 Ų | 211 | 118.3 Ų | 118.3 | 80% | 0.796 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.6 | -27.1 | 176.8 | -158.6 | 179.4 | -164.3 | -174.4 | 5.2 | 113.4 | C16 K18 | C16-R20 WeakPolarHBondContact O-CB 3.31Å; C16-R20 PolarHBondContact O-N 2.91Å; K18-R20 PolarHBondContact O-N 3.17Å |
| 21 | H | 63 | Low | 71 | Confident | 141 Ų | 141 | 120 Ų | 120 | 65% | 0.653 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -86 | -40.5 | 177.8 | -142.2 | -70.6 | 0 | 0 | 0 | 112 | K17 K18 I19 L23 S24 | K17-H21 PolarHBondContact O-N 3.2Å; K18-H21 WeakPolarHBondContact O-CB 3.38Å; K18-H21 PolarHBondContact O-N 3.05Å; I19-H21 PolarHBondContact O-N 3.47Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 3.05Å; H21-S24 WeakPolarHBondContact O-CB 3.22Å; H21-S24 PolarHBondContact O-N 3.46Å; H21-S24 VanDerWaalsContact O-N 3.07Å |
| 22 | E | 59.8 | Low | 68.6 | Low | 116 Ų | 116 | 122.1 Ų | 122.1 | 54% | 0.542 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -62.5 | -39.5 | 174.8 | -56.6 | -71.8 | 165.8 | 0 | 0 | 111.4 | K18 I19 S24 | K18-E22 WeakPolarHBondContact CE-OE1 3.42Å; K18-E22 HydrophobicContact CG-CG 4.19Å; K18-E22 WeakPolarHBondContact O-CG 3.34Å; K18-E22 PolarHBondContact O-N 3.39Å; I19-E22 PolarHBondContact O-N 3.26Å; E22-S24 PolarHBondContact O-N 2.95Å |
| 23 | L | 57.9 | Low | 66.5 | Low | 133 Ų | 133 | 121.8 Ų | 121.8 | 70% | 0.696 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -8.8 | 174.6 | -68.2 | 177.9 | 0 | 0 | 0 | 113.9 | I19 H21 | I19-L23 HydrophobicContact CG2-CD1 3.72Å; I19-L23 HydrophobicContact CG2-CG 4.16Å; I19-L23 WeakPolarHBondContact O-CB 3.44Å; I19-L23 VanDerWaalsContact O-CG 3.3Å; I19-L23 WeakPolarHBondContact O-CG 3.22Å; I19-L23 PolarHBondContact O-N 3.04Å; H21-L23 VanDerWaalsContact C-N 3.33Å; H21-L23 PolarHBondContact O-N 3.05Å |
| 24 | S | 57.3 | Low | 64.2 | Low | 93 Ų | 93 | 122.4 Ų | 122.4 | 65% | 0.65 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -7.5 | 179.7 | -168.3 | 0 | 0 | 0 | 0 | 113.5 | H21 E22 | H21-S24 WeakPolarHBondContact O-CB 3.22Å; H21-S24 PolarHBondContact O-N 3.46Å; H21-S24 VanDerWaalsContact O-N 3.07Å; E22-S24 PolarHBondContact O-N 2.95Å |
| 25 | V | 60.5 | Low | 62.6 | Low | 118 Ų | 118 | 121.4 Ų | 121.4 | 72% | 0.715 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -135.8 | 20.8 | -174 | -159.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 26 | A | 50.1 | Low | 60.7 | Low | 66 Ų | 66 | 120.4 Ų | 120.4 | 55% | 0.545 | 68% | 0.684 | S | S | . | * | P | Polyproline II helix | trans | -103.3 | 137.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 27 | P | 52.8 | Low | 59 | Low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 149.3 | -176.7 | -16.1 | 30 | 0 | 0 | 0 | 112.8 | P29 | P27-P29 WeakPolarHBondContact O-CD 3.46Š|
| 28 | T | 52.7 | Low | 57 | Low | 126 Ų | 126 | 124.4 Ų | 124.4 | 77% | 0.773 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 119.9 | 173.4 | 46.6 | 0 | 0 | 0 | 0 | 111.5 | V30 | T28-V30 PolarHBondContact O-N 3.27Š|
| 29 | P | 59.5 | Low | 55 | Low | 114 Ų | 114 | 123.3 Ų | 123.3 | 74% | 0.74 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 116.3 | 171.2 | 28 | -32.1 | 0 | 0 | 0 | 109.5 | P27 V31 | P27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-V31 PolarHBondContact O-N 3.47Å |
| 30 | V | 51.4 | Low | 53.1 | Low | 126 Ų | 126 | 124 Ų | 124 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | | | trans | -68.3 | 103.7 | 171.4 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | T28 T32 | T28-V30 PolarHBondContact O-N 3.27Å; V30-T32 PolarHBondContact O-N 3.47Å; V30-T32 VanDerWaalsContact O-N 3.12Å |
| 31 | V | 57.2 | Low | 52.2 | Low | 117 Ų | 117 | 119.9 Ų | 119.9 | 71% | 0.709 | 73% | 0.725 | S | S | * | * | | | trans | -82 | 87.9 | 177.4 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | P29 S33 | P29-V31 PolarHBondContact O-N 3.47Å; V31-S33 WeakPolarHBondContact CG1-OG 3.48Å; V31-S33 PolarHBondContact O-N 3Å; V31-S33 VanDerWaalsContact O-N 3.15Å |
| 32 | T | 41.4 | Very low | 51.2 | Low | 109 Ų | 109 | 121.3 Ų | 121.3 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | | | trans | -80.1 | 85.3 | 168 | -53.1 | 0 | 0 | 0 | 0 | 109.6 | V30 T34 | V30-T32 PolarHBondContact O-N 3.47Å; V30-T32 VanDerWaalsContact O-N 3.12Å; T32-T34 HydrophobicContact CG2-CG2 4.29Å; T32-T34 PolarHBondContact O-N 3.34Å; T32-T34 VanDerWaalsContact O-N 3.12Å |
| 33 | S | 48.8 | Very low | 50.7 | Low | 93 Ų | 93 | 123.8 Ų | 123.8 | 65% | 0.65 | 75% | 0.749 | S | S | * | * | | | trans | -77.9 | 89.2 | 173.6 | -67.7 | 0 | 0 | 0 | 0 | 111 | V31 T35 | V31-S33 WeakPolarHBondContact CG1-OG 3.48Å; V31-S33 PolarHBondContact O-N 3Å; V31-S33 VanDerWaalsContact O-N 3.15Å; S33-T35 PolarHBondContact O-N 2.93Å |
| 34 | T | 44.9 | Very low | 50.3 | Low | 126 Ų | 126 | 126.3 Ų | 126.3 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -76.7 | 99.6 | 166.8 | 48.6 | 0 | 0 | 0 | 0 | 110.3 | T32 | T32-T34 HydrophobicContact CG2-CG2 4.29Å; T32-T34 PolarHBondContact O-N 3.34Å; T32-T34 VanDerWaalsContact O-N 3.12Å |
| 35 | T | 56.1 | Low | 49.7 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -113.9 | 106.9 | 163.6 | 51.2 | 0 | 0 | 0 | 0 | 109.2 | S33 | S33-T35 PolarHBondContact O-N 2.93Š|
| 36 | S | 49.1 | Very low | 48.9 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | | | trans | -73.1 | 135.4 | 171.5 | 42.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 37 | K | 52.9 | Low | 48.5 | Very low | 183 Ų | 183 | 133.4 Ų | 133.4 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | 172.1 | 109.3 | 132.8 | -93.5 | 169.4 | -178.9 | -169.3 | 0 | 111 | | |
| 38 | D | 46.2 | Very low | 48.2 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | 57.6 | 139.9 | 130.1 | -45 | -31 | 0 | 0 | 0 | 122.4 | | |
| 39 | C | 44.1 | Very low | 47.8 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | 85.5 | 91.5 | 159.1 | -60.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 40 | S | 41.3 | Very low | 47.2 | Very low | 107 Ų | 107 | 136.7 Ų | 136.7 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | | | | 49.8 | 111.2 | 124.8 | 64.4 | 0 | 0 | 0 | 0 | 120.7 | | |
| 41 | S | 48.3 | Very low | 46.7 | Very low | 125 Ų | 125 | 138.2 Ų | 138.2 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | | -173.6 | 156.5 | 105.3 | 39 | 0 | 0 | 0 | 0 | 110.9 | | |
| 42 | E | 43.8 | Very low | 46.5 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | | | trans | -78.4 | 141.4 | -172 | -53.1 | 176.6 | 115.1 | 0 | 0 | 111.8 | | |
| 43 | N | 47.9 | Very low | 47.1 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | | | trans | -163.3 | 139.6 | 131.9 | -104.7 | -48.7 | 0 | 0 | 0 | 113.3 | | |
| 44 | K | 49.6 | Very low | 47.5 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 81% | 0.809 | 80% | 0.801 | S | S | * | * | | | trans | -94.4 | 131.9 | -173.7 | -60.9 | 161.7 | -179.9 | 165.2 | 0 | 110.6 | | |
| 45 | K | 45 | Very low | 48.2 | Very low | 203 Ų | 203 | 140.1 Ų | 140.1 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | | | | 172 | 140 | 119 | -100.1 | 176.7 | 174.1 | 178.4 | 0 | 115.6 | | |
| 46 | A | 44 | Very low | 48.6 | Very low | 86 Ų | 86 | 139.7 Ų | 139.7 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | 52.4 | 94.5 | 139 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 47 | V | 42.2 | Very low | 49.5 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | | | | 23.4 | 114.1 | 112.1 | -174 | 0 | 0 | 0 | 0 | 117.2 | | |
| 48 | S | 45.9 | Very low | 50 | Low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | | | | -143.2 | 137.8 | 126.3 | 73.4 | 0 | 0 | 0 | 0 | 109.9 | | |
| 49 | K | 43.2 | Very low | 51.1 | Low | 191 Ų | 191 | 147.7 Ų | 147.7 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | | | trans | -93.4 | 118.9 | 175.5 | -64.7 | 173.9 | -179.5 | 176.4 | 0 | 107.6 | | |
| 50 | N | 47.4 | Very low | 52.4 | Low | 141 Ų | 141 | 152.6 Ų | 152.6 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | | | trans | -137.5 | 113.4 | 164.5 | -85.5 | -53.2 | 0 | 0 | 0 | 109 | A52 | N50-A52 VanDerWaalsContact C-N 3.3Å; N50-A52 PolarHBondContact O-N 3.44Å |
| 51 | V | 41.5 | Very low | 53.9 | Low | 157 Ų | 157 | 152.2 Ų | 152.2 | 95% | 0.952 | 79% | 0.794 | S | S | * | * | | | trans | -79.5 | 82.5 | 179.1 | -179.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 52 | A | 53 | Low | 55 | Low | 74 Ų | 74 | 151 Ų | 151 | 61% | 0.612 | 78% | 0.778 | S | S | * | * | | | trans | -91.7 | 135.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | N50 L54 | N50-A52 VanDerWaalsContact C-N 3.3Å; N50-A52 PolarHBondContact O-N 3.44Å; A52-L54 PolarHBondContact O-N 3.27Å |
| 53 | V | 53.4 | Low | 56.2 | Low | 140 Ų | 140 | 147.7 Ų | 147.7 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | | | trans | -62 | 106.7 | -179.8 | 177.3 | 0 | 0 | 0 | 0 | 110 | V55 | V53-V55 PolarHBondContact O-N 3.02Š|
| 54 | L | 56.9 | Low | 57.3 | Low | 166 Ų | 166 | 148.5 Ų | 148.5 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -75.5 | 82.1 | -176.4 | -78.4 | 159.9 | 0 | 0 | 0 | 111.6 | A52 P56 | A52-L54 PolarHBondContact O-N 3.27Å; L54-P56 WeakPolarHBondContact O-CD 3.26Å |
| 55 | V | 60.8 | Low | 58.3 | Low | 105 Ų | 105 | 144.7 Ų | 144.7 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | trans | -55.8 | 132.4 | 159.9 | 176.4 | 0 | 0 | 0 | 0 | 108.2 | V53 V57 | V53-V55 PolarHBondContact O-N 3.02Å; V55-V57 PolarHBondContact O-N 3.39Å |
| 56 | P | 63 | Low | 59.4 | Low | 123 Ų | 123 | 138.7 Ų | 138.7 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | | | trans | -66.4 | 75.7 | 174.3 | -23.4 | 35.6 | 0 | 0 | 0 | 112.5 | L54 R58 | L54-P56 WeakPolarHBondContact O-CD 3.26Å; P56-R58 PolarHBondContact O-N 3.36Å |
| 57 | V | 68.1 | Low | 61 | Low | 120 Ų | 120 | 136.8 Ų | 136.8 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | | | trans | -59.3 | 110.4 | 166.2 | 176.7 | 0 | 0 | 0 | 0 | 106.4 | V55 R59 | V55-V57 PolarHBondContact O-N 3.39Å; V57-R59 PolarHBondContact O-N 3.24Å |
| 58 | R | 64.3 | Low | 62.7 | Low | 234 Ų | 234 | 139.9 Ų | 139.9 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | | | trans | -52.5 | 109.7 | 169.3 | -78.9 | 179.5 | 169.6 | 137.7 | -5.1 | 107.1 | P56 R60 | P56-R58 PolarHBondContact O-N 3.36Å; R58-R60 PolarHBondContact O-N 3.33Å |
| 59 | R | 68.2 | Low | 64.2 | Low | 249 Ų | 249 | 143.1 Ų | 143.1 | 94% | 0.94 | 73% | 0.726 | S | S | * | * | | | trans | -59.9 | 91.7 | 166.4 | -79.6 | -177.3 | 161.7 | 123.8 | -4.1 | 107.2 | V57 M61 | V57-R59 PolarHBondContact O-N 3.24Å; R59-M61 PolarHBondContact O-N 2.81Å |
| 60 | R | 72.2 | Confident | 66.1 | Low | 220 Ų | 220 | 141.5 Ų | 141.5 | 83% | 0.83 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 120.7 | 159.7 | -73.3 | -178.6 | 167.8 | 171.4 | -4.4 | 105 | R58 N62 | R58-R60 PolarHBondContact O-N 3.33Å; R60-N62 PolarHBondContact O-N 3.18Å |
| 61 | M | 73 | Confident | 67.9 | Low | 99 Ų | 99 | 140.8 Ų | 140.8 | 49% | 0.488 | 73% | 0.725 | S | S | . | * | P | Polyproline II helix | trans | -64.8 | 128.3 | 172.8 | -168.9 | 151.6 | 175 | 0 | 0 | 107.1 | R59 V65 E66 | R59-M61 PolarHBondContact O-N 2.81Å; M61-V65 HydrophobicContact CE-CB 3.88Å; M61-V65 HydrophobicContact CE-CG1 3.83Å; M61-V65 VanDerWaalsContact CE-O 3.22Å; M61-V65 WeakPolarHBondContact CE-O 3.3Å; M61-V65 HydrophobicContact CG-CB 4.33Å; M61-E66 WeakPolarHBondContact CB-OE1 3.45Å; M61-E66 HydrophobicContact CE-CB 3.97Å; M61-E66 HydrophobicContact CE-CG 3.81Å; M61-E66 HydrophobicContact CG-CB 4.22Å; M61-E66 HydrophobicContact CG-CG 4.1Å; M61-E66 HydrophobicContact SD-CB 4.45Å; M61-E66 HydrophobicContact SD-CG 3.89Å; M61-E66 VanDerWaalsContact SD-OE1 3.4Å |
| 62 | N | 71.2 | Confident | 70.1 | Confident | 100 Ų | 100 | 141.2 Ų | 141.2 | 54% | 0.535 | 71% | 0.714 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 138 | 175.1 | -73.1 | -11.2 | 0 | 0 | 0 | 108 | R60 E64 V65 | R60-N62 PolarHBondContact O-N 3.18Å; N62-E64 PolarHBondContact O-N 2.91Å; N62-V65 HydrophobicContact CB-CG2 4.17Å; N62-V65 PolarHBondContact O-N 3.47Å |
| 63 | P | 68.9 | Low | 71.6 | Confident | 103 Ų | 103 | 144.7 Ų | 144.7 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -54.5 | -28.6 | -177 | -28.4 | 35.4 | 0 | 0 | 0 | 114.5 | V65 E66 G67 | P63-V65 VanDerWaalsContact C-N 3.3Å; P63-V65 PolarHBondContact O-N 2.99Å; P63-E66 PolarHBondContact O-N 3.3Å; P63-G67 PolarHBondContact O-N 2.92Å |
| 64 | E | 72.1 | Confident | 72.9 | Confident | 183 Ų | 183 | 143.5 Ų | 143.5 | 86% | 0.855 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -61.9 | -33.2 | 176.1 | -63.1 | 172.2 | 176.4 | 0 | 0 | 113.4 | N62 E66 | N62-E64 PolarHBondContact O-N 2.91Å; E64-E66 VanDerWaalsContact C-N 3.32Å |
| 65 | V | 69.1 | Low | 74 | Confident | 106 Ų | 106 | 144 Ų | 144 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -82.7 | -17.6 | 179 | -160.1 | 0 | 0 | 0 | 0 | 111.2 | M61 N62 P63 | M61-V65 HydrophobicContact CE-CB 3.88Å; M61-V65 HydrophobicContact CE-CG1 3.83Å; M61-V65 VanDerWaalsContact CE-O 3.22Å; M61-V65 WeakPolarHBondContact CE-O 3.3Å; M61-V65 HydrophobicContact CG-CB 4.33Å; N62-V65 HydrophobicContact CB-CG2 4.17Å; N62-V65 PolarHBondContact O-N 3.47Å; P63-V65 VanDerWaalsContact C-N 3.3Å; P63-V65 PolarHBondContact O-N 2.99Å |
| 66 | E | 69.2 | Low | 74.9 | Confident | 77 Ų | 77 | 139.5 Ų | 139.5 | 36% | 0.36 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -97.2 | -20.4 | -169.8 | -140.7 | 166.6 | -130.4 | 0 | 0 | 112.6 | M61 P63 E64 Y69 | M61-E66 WeakPolarHBondContact CB-OE1 3.45Å; M61-E66 HydrophobicContact CE-CB 3.97Å; M61-E66 HydrophobicContact CE-CG 3.81Å; M61-E66 HydrophobicContact CG-CB 4.22Å; M61-E66 HydrophobicContact CG-CG 4.1Å; M61-E66 HydrophobicContact SD-CB 4.45Å; M61-E66 HydrophobicContact SD-CG 3.89Å; M61-E66 VanDerWaalsContact SD-OE1 3.4Å; P63-E66 PolarHBondContact O-N 3.3Å; E64-E66 VanDerWaalsContact C-N 3.32Å; E66-Y69 HydrophobicContact CB-CE2 4.45Å; E66-Y69 VanDerWaalsContact CD-OH 3.32Å; E66-Y69 HydrophobicContact CG-CE2 3.68Å; E66-Y69 WeakPolarHBondContact CG-OH 3.27Å |
| 67 | G | 76.3 | Confident | 75.8 | Confident | 46 Ų | 46 | 139 Ų | 139 | 47% | 0.474 | 68% | 0.68 | S | S | . | * | | | trans | 72.4 | 170.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | P63 Y69 | P63-G67 PolarHBondContact O-N 2.92Å; G67-Y69 PolarHBondContact O-N 3.09Å; G67-Y69 VanDerWaalsContact O-N 3.1Å |
| 68 | K | 78.4 | Confident | 76.7 | Confident | 202 Ų | 202 | 137 Ų | 137 | 88% | 0.878 | 67% | 0.668 | S | S | * | * | | | trans | -74.9 | 102.2 | 173 | -64.2 | -169.7 | -178 | -173.6 | 0 | 109 | I70 | K68-I70 PolarHBondContact O-N 3.38Š|
| 69 | Y | 78.3 | Confident | 77.8 | Confident | 170 Ų | 170 | 132.2 Ų | 132.2 | 67% | 0.667 | 66% | 0.659 | S | S | * | * | | | trans | -58.2 | 104.4 | 174.5 | -74.7 | -72.9 | 0 | 0 | 0 | 111.9 | E66 G67 V71 | E66-Y69 HydrophobicContact CB-CE2 4.45Å; E66-Y69 VanDerWaalsContact CD-OH 3.32Å; E66-Y69 HydrophobicContact CG-CE2 3.68Å; E66-Y69 WeakPolarHBondContact CG-OH 3.27Å; G67-Y69 PolarHBondContact O-N 3.09Å; G67-Y69 VanDerWaalsContact O-N 3.1Å; Y69-V71 PolarHBondContact O-N 3.27Å |
| 70 | I | 83.1 | Confident | 78.9 | Confident | 157 Ų | 157 | 128 Ų | 128 | 81% | 0.805 | 65% | 0.648 | S | S | * | * | | | trans | -87.6 | 97.3 | 171.8 | -57.7 | 175.9 | 0 | 0 | 0 | 108.9 | K68 K72 | K68-I70 PolarHBondContact O-N 3.38Å; I70-K72 PolarHBondContact O-N 3.09Å |
| 71 | V | 84.9 | Confident | 79.8 | Confident | 126 Ų | 126 | 119.9 Ų | 119.9 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | | | trans | -73 | 92 | 175 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | Y69 M73 | Y69-V71 PolarHBondContact O-N 3.27Å; V71-M73 PolarHBondContact O-N 3.19Å |
| 72 | K | 87.4 | Confident | 80.5 | Confident | 165 Ų | 165 | 120.1 Ų | 120.1 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | | | trans | -77.8 | 109.9 | 177.7 | -170.1 | 170.4 | -173.2 | 168.7 | 0 | 110.7 | I70 | I70-K72 PolarHBondContact O-N 3.09Š|
| 73 | M | 84.9 | Confident | 81.4 | Confident | 147 Ų | 147 | 123 Ų | 123 | 72% | 0.724 | 63% | 0.63 | S | S | * | * | | | trans | -58 | 140.5 | 174.4 | -67.9 | -62.5 | -78.9 | 0 | 0 | 111.2 | V71 K75 | V71-M73 PolarHBondContact O-N 3.19Å; M73-K75 PolarHBondContact O-N 2.98Å; M73-K75 VanDerWaalsContact O-N 3.13Å |
| 74 | P | 81.6 | Confident | 82.4 | Confident | 116 Ų | 116 | 122 Ų | 122 | 75% | 0.753 | 62% | 0.618 | S | S | * | * | | | trans | -66.9 | 114.8 | -178.6 | 26.4 | -33.6 | 0 | 0 | 0 | 110.2 | G76 | P74-G76 PolarHBondContact O-N 3.38Š|
| 75 | K | 79.5 | Confident | 83.2 | Confident | 176 Ų | 176 | 117.3 Ų | 117.3 | 77% | 0.765 | 60% | 0.599 | S | S | * | * | | | trans | -61.3 | 4.3 | -178.7 | -69.9 | -163.9 | 172.2 | -165 | 0 | 115.7 | M73 T77 | M73-K75 PolarHBondContact O-N 2.98Å; M73-K75 VanDerWaalsContact O-N 3.13Å; K75-T77 VanDerWaalsContact C-N 3.32Å; K75-T77 HydrophobicContact CB-CG2 4.24Å; K75-T77 PolarHBondContact O-N 3.22Å |
| 76 | G | 79 | Confident | 84.1 | Confident | 11 Ų | 11 | 114.7 Ų | 114.7 | 11% | 0.113 | 59% | 0.588 | C | S | . | * | | | trans | 63.9 | 31.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P74 T78 T81 | P74-G76 PolarHBondContact O-N 3.38Å; G76-T78 PolarHBondContact O-N 3.43Å; G76-T81 WeakPolarHBondContact O-CB 3.36Å |
| 77 | T | 82.8 | Confident | 85 | Confident | 113 Ų | 113 | 114 Ų | 114 | 69% | 0.693 | 59% | 0.592 | S | S | * | * | | | trans | -69.3 | -10.7 | -176.5 | 52.7 | 0 | 0 | 0 | 0 | 114.6 | K75 | K75-T77 VanDerWaalsContact C-N 3.32Å; K75-T77 HydrophobicContact CB-CG2 4.24Å; K75-T77 PolarHBondContact O-N 3.22Å |
| 78 | T | 86.4 | Confident | 85.5 | Confident | 77 Ų | 77 | 116.6 Ų | 116.6 | 47% | 0.472 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -73.2 | 144.4 | 178.5 | 82.4 | 0 | 0 | 0 | 0 | 111.4 | G76 K80 T81 Q82 | G76-T78 PolarHBondContact O-N 3.43Å; T78-K80 PolarHBondContact O-N 3.38Å; T78-K80 VanDerWaalsContact O-N 3.07Å; T78-T81 PolarHBondContact O-N 3.31Å; T78-T81 PolarHBondContact OG1-N 3.34Å; T78-T81 VanDerWaalsContact OG1-N 3.13Å; T78-T81 PolarHBondContact OG1-OG1 3Å; T78-Q82 PolarHBondContact O-N 2.91Å |
| 79 | L | 87.8 | Confident | 85.8 | Confident | 134 Ų | 134 | 114.8 Ų | 114.8 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -52.1 | -32.9 | 174.8 | -68.1 | 173.9 | 0 | 0 | 0 | 113 | K83 | L79-K83 WeakPolarHBondContact O-CG 3.47Å; L79-K83 PolarHBondContact O-N 3.42Å; L79-K83 VanDerWaalsContact O-N 3.14Å |
| 80 | K | 90 | Very high | 86 | Confident | 161 Ų | 161 | 113.3 Ų | 113.3 | 70% | 0.7 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.1 | -46.1 | 176 | -173.9 | 179.4 | 178.3 | -176.5 | 0 | 111.1 | T78 K83 I84 | T78-K80 PolarHBondContact O-N 3.38Å; T78-K80 VanDerWaalsContact O-N 3.07Å; K80-K83 PolarHBondContact O-N 3.14Å; K80-I84 HydrophobicContact CG-CD1 4.14Å; K80-I84 WeakPolarHBondContact O-CD1 3.4Å; K80-I84 VanDerWaalsContact O-CG1 3.31Å; K80-I84 WeakPolarHBondContact O-CG1 3.25Å; K80-I84 PolarHBondContact O-N 3.45Å; K80-I84 VanDerWaalsContact O-N 3.14Å |
| 81 | T | 90.9 | Very high | 85.8 | Confident | 48 Ų | 48 | 113.1 Ų | 113.1 | 29% | 0.294 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.5 | -40.5 | 178.7 | -46.4 | 0 | 0 | 0 | 0 | 111.7 | G76 T78 K83 I84 L85 | G76-T81 WeakPolarHBondContact O-CB 3.36Å; T78-T81 PolarHBondContact O-N 3.31Å; T78-T81 PolarHBondContact OG1-N 3.34Å; T78-T81 VanDerWaalsContact OG1-N 3.13Å; T78-T81 PolarHBondContact OG1-OG1 3Å; T81-K83 PolarHBondContact O-N 3.16Å; T81-I84 PolarHBondContact O-N 2.92Å; T81-I84 VanDerWaalsContact O-N 3.14Å; T81-L85 HydrophobicContact CG2-CD1 4.08Å; T81-L85 HydrophobicContact CG2-CG 4.27Å; T81-L85 WeakPolarHBondContact O-CG 3.48Å; T81-L85 PolarHBondContact O-N 3.12Å |
| 82 | Q | 88.2 | Confident | 85 | Confident | 104 Ų | 104 | 112.2 Ų | 112.2 | 49% | 0.486 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.5 | -45.4 | 174 | -71.2 | -178.9 | -11.2 | 0 | 0 | 112.1 | T78 I84 L85 A86 | T78-Q82 PolarHBondContact O-N 2.91Å; Q82-I84 VanDerWaalsContact C-N 3.33Å; Q82-I84 PolarHBondContact O-N 2.85Å; Q82-L85 PolarHBondContact O-N 3.14Å; Q82-A86 WeakPolarHBondContact O-CB 3.5Å; Q82-A86 PolarHBondContact O-N 3.36Å |
| 83 | K | 91.6 | Very high | 83.8 | Confident | 161 Ų | 161 | 107.8 Ų | 107.8 | 70% | 0.7 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.3 | -37.5 | 175.1 | -76.1 | -179.4 | 178.5 | -172.5 | 0 | 113.1 | L79 K80 T81 S87 | L79-K83 WeakPolarHBondContact O-CG 3.47Å; L79-K83 PolarHBondContact O-N 3.42Å; L79-K83 VanDerWaalsContact O-N 3.14Å; K80-K83 PolarHBondContact O-N 3.14Å; T81-K83 PolarHBondContact O-N 3.16Å; K83-S87 PolarHBondContact O-N 3.13Å; K83-S87 VanDerWaalsContact O-N 3.09Å; K83-S87 PolarHBondContact O-OG 2.82Å |
| 84 | I | 89.2 | Confident | 82.6 | Confident | 81 Ų | 81 | 104.5 Ų | 104.5 | 42% | 0.415 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.6 | -44.3 | 176.5 | -67.2 | 163.8 | 0 | 0 | 0 | 110.8 | K80 T81 Q82 A86 S87 M88 | K80-I84 HydrophobicContact CG-CD1 4.14Å; K80-I84 WeakPolarHBondContact O-CD1 3.4Å; K80-I84 VanDerWaalsContact O-CG1 3.31Å; K80-I84 WeakPolarHBondContact O-CG1 3.25Å; K80-I84 PolarHBondContact O-N 3.45Å; K80-I84 VanDerWaalsContact O-N 3.14Å; T81-I84 PolarHBondContact O-N 2.92Å; T81-I84 VanDerWaalsContact O-N 3.14Å; Q82-I84 VanDerWaalsContact C-N 3.33Å; Q82-I84 PolarHBondContact O-N 2.85Å; I84-A86 VanDerWaalsContact C-N 3.35Å; I84-A86 PolarHBondContact O-N 2.98Å; I84-S87 PolarHBondContact O-N 3.42Å; I84-S87 PolarHBondContact O-OG 3.33Å; I84-S87 VanDerWaalsContact O-OG 3.09Å; I84-M88 HydrophobicContact CG2-CG 4.41Å; I84-M88 HydrophobicContact CG2-SD 3.89Å; I84-M88 WeakPolarHBondContact O-CB 3.43Å; I84-M88 VanDerWaalsContact O-CG 3.26Å; I84-M88 WeakPolarHBondContact O-CG 3.37Å; I84-M88 PolarHBondContact O-N 3.14Å |
| 85 | L | 89 | Confident | 81.5 | Confident | 86 Ų | 86 | 107.8 Ų | 107.8 | 45% | 0.45 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.9 | -39.9 | 177.5 | -69.7 | 171.5 | 0 | 0 | 0 | 111.7 | T81 Q82 K89 | T81-L85 HydrophobicContact CG2-CD1 4.08Å; T81-L85 HydrophobicContact CG2-CG 4.27Å; T81-L85 WeakPolarHBondContact O-CG 3.48Å; T81-L85 PolarHBondContact O-N 3.12Å; Q82-L85 PolarHBondContact O-N 3.14Å; L85-K89 WeakPolarHBondContact O-CG 3.44Å; L85-K89 PolarHBondContact O-N 3.31Å |
| 86 | A | 87.1 | Confident | 80.2 | Confident | 50 Ų | 50 | 103.9 Ų | 103.9 | 41% | 0.413 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q82 I84 K89 Q90 | Q82-A86 WeakPolarHBondContact O-CB 3.5Å; Q82-A86 PolarHBondContact O-N 3.36Å; I84-A86 VanDerWaalsContact C-N 3.35Å; I84-A86 PolarHBondContact O-N 2.98Å; A86-K89 PolarHBondContact O-N 3.31Å; A86-Q90 PolarHBondContact O-N 3.2Å |
| 87 | S | 88.9 | Confident | 78.7 | Confident | 63 Ų | 63 | 108.1 Ų | 108.1 | 44% | 0.441 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -69.7 | -32.4 | 178.6 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | K83 I84 K91 | K83-S87 PolarHBondContact O-N 3.13Å; K83-S87 VanDerWaalsContact O-N 3.09Å; K83-S87 PolarHBondContact O-OG 2.82Å; I84-S87 PolarHBondContact O-N 3.42Å; I84-S87 PolarHBondContact O-OG 3.33Å; I84-S87 VanDerWaalsContact O-OG 3.09Å; S87-K91 VanDerWaalsContact O-CB 3.26Å; S87-K91 WeakPolarHBondContact O-CB 3.43Å; S87-K91 PolarHBondContact O-N 3.42Å |
| 88 | M | 87.2 | Confident | 77 | Confident | 101 Ų | 101 | 111.4 Ų | 111.4 | 50% | 0.498 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.2 | -43.1 | 170.8 | -73.2 | 177.5 | 70.7 | 0 | 0 | 111.9 | I84 K91 N92 | I84-M88 HydrophobicContact CG2-CG 4.41Å; I84-M88 HydrophobicContact CG2-SD 3.89Å; I84-M88 WeakPolarHBondContact O-CB 3.43Å; I84-M88 VanDerWaalsContact O-CG 3.26Å; I84-M88 WeakPolarHBondContact O-CG 3.37Å; I84-M88 PolarHBondContact O-N 3.14Å; M88-K91 PolarHBondContact O-N 2.93Å; M88-N92 WeakPolarHBondContact O-CB 3.36Å; M88-N92 VanDerWaalsContact O-CG 3.28Å; M88-N92 PolarHBondContact O-N 3.4Å; M88-N92 PolarHBondContact O-OD1 2.92Å |
| 89 | K | 84.6 | Confident | 75.1 | Confident | 163 Ų | 163 | 113.2 Ų | 113.2 | 71% | 0.709 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -58.4 | -49.3 | 174.4 | -76.4 | -177.8 | 176.5 | -166.3 | 0 | 111.6 | L85 A86 K91 N92 S93 | L85-K89 WeakPolarHBondContact O-CG 3.44Å; L85-K89 PolarHBondContact O-N 3.31Å; A86-K89 PolarHBondContact O-N 3.31Å; K89-K91 PolarHBondContact O-N 3.13Å; K89-N92 PolarHBondContact O-N 2.94Å; K89-S93 PolarHBondContact O-N 3.07Å; K89-S93 PolarHBondContact O-OG 3.04Å |
| 90 | Q | 81.2 | Confident | 73.1 | Confident | 139 Ų | 139 | 116.1 Ų | 116.1 | 65% | 0.65 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -62.4 | -39.8 | 177.5 | -71.8 | 178.5 | -27.5 | 0 | 0 | 113.1 | A86 N92 S93 A94 | A86-Q90 PolarHBondContact O-N 3.2Å; Q90-N92 VanDerWaalsContact C-N 3.31Å; Q90-N92 PolarHBondContact O-N 3.21Å; Q90-S93 PolarHBondContact O-OG 3.11Å; Q90-S93 VanDerWaalsContact O-OG 3.09Å; Q90-A94 WeakPolarHBondContact O-CB 3.3Å; Q90-A94 PolarHBondContact O-N 3.29Å; Q90-A94 VanDerWaalsContact O-N 3.17Å |
| 91 | K | 80 | Confident | 71.1 | Confident | 153 Ų | 153 | 115 Ų | 115 | 67% | 0.665 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.9 | -29.7 | 178.6 | -171.7 | 176 | -179.7 | -177.5 | 0 | 112.7 | S87 M88 K89 | S87-K91 VanDerWaalsContact O-CB 3.26Å; S87-K91 WeakPolarHBondContact O-CB 3.43Å; S87-K91 PolarHBondContact O-N 3.42Å; M88-K91 PolarHBondContact O-N 2.93Å; K89-K91 PolarHBondContact O-N 3.13Å |
| 92 | N | 67.9 | Low | 69 | Low | 107 Ų | 107 | 117.2 Ų | 117.2 | 57% | 0.572 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -81.7 | -41.4 | 177.4 | -69.8 | 0.9 | 0 | 0 | 0 | 111.6 | M88 K89 Q90 A94 K95 | M88-N92 WeakPolarHBondContact O-CB 3.36Å; M88-N92 VanDerWaalsContact O-CG 3.28Å; M88-N92 PolarHBondContact O-N 3.4Å; M88-N92 PolarHBondContact O-OD1 2.92Å; K89-N92 PolarHBondContact O-N 2.94Å; Q90-N92 VanDerWaalsContact C-N 3.31Å; Q90-N92 PolarHBondContact O-N 3.21Å; N92-A94 VanDerWaalsContact C-N 3.26Å; N92-A94 PolarHBondContact O-N 2.95Å; N92-K95 PolarHBondContact O-N 3.33Å |
| 93 | S | 61.7 | Low | 67 | Low | 73 Ų | 73 | 121.7 Ų | 121.7 | 51% | 0.51 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -63.5 | -31.8 | 176.2 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | K89 Q90 K95 S96 | K89-S93 PolarHBondContact O-N 3.07Å; K89-S93 PolarHBondContact O-OG 3.04Å; Q90-S93 PolarHBondContact O-OG 3.11Å; Q90-S93 VanDerWaalsContact O-OG 3.09Å; S93-K95 PolarHBondContact O-N 2.96Å; S93-K95 VanDerWaalsContact O-N 3.14Å; S93-S96 PolarHBondContact O-N 3.08Å |
| 94 | A | 60.2 | Low | 64.5 | Low | 77 Ų | 77 | 118.7 Ų | 118.7 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -0.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q90 N92 | Q90-A94 WeakPolarHBondContact O-CB 3.3Å; Q90-A94 PolarHBondContact O-N 3.29Å; Q90-A94 VanDerWaalsContact O-N 3.17Å; N92-A94 VanDerWaalsContact C-N 3.26Å; N92-A94 PolarHBondContact O-N 2.95Å |
| 95 | K | 57.6 | Low | 62.3 | Low | 186 Ų | 186 | 119.8 Ų | 119.8 | 81% | 0.809 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | -0.5 | 174.2 | -73.4 | -166.9 | 169.6 | -162.4 | 0 | 114.2 | N92 S93 | N92-K95 PolarHBondContact O-N 3.33Å; S93-K95 PolarHBondContact O-N 2.96Å; S93-K95 VanDerWaalsContact O-N 3.14Å |
| 96 | S | 52.2 | Low | 60.2 | Low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | | | trans | -122.7 | 48.2 | 177.6 | 66.5 | 0 | 0 | 0 | 0 | 111.4 | S93 Q98 | S93-S96 PolarHBondContact O-N 3.08Å; S96-Q98 PolarHBondContact O-N 3Å |
| 97 | S | 47.9 | Very low | 58.2 | Low | 100 Ų | 100 | 129.7 Ų | 129.7 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | | | trans | -90.5 | 76.1 | 173.3 | 60.3 | 0 | 0 | 0 | 0 | 111 | | |
| 98 | Q | 48.2 | Very low | 56.1 | Low | 183 Ų | 183 | 133.1 Ų | 133.1 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | | | trans | -101.2 | 109.5 | 150.7 | -86.4 | -72 | -19.2 | 0 | 0 | 106.2 | S96 | S96-Q98 PolarHBondContact O-N 3Š|
| 99 | P | 45.9 | Very low | 54.3 | Low | 114 Ų | 114 | 136.1 Ų | 136.1 | 74% | 0.74 | 75% | 0.752 | S | S | * | * | | | trans | -92.3 | 101.8 | -178.9 | 33.4 | -28.7 | 0 | 0 | 0 | 110.2 | | |
| 100 | E | 45.4 | Very low | 52.8 | Low | 196 Ų | 196 | 133.8 Ų | 133.8 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | | | trans | -94.2 | 149.8 | 166.6 | -162.5 | 167.6 | -171.6 | 0 | 0 | 111.4 | | |
| 101 | V | 47.4 | Very low | 51.5 | Low | 137 Ų | 137 | 132.6 Ų | 132.6 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | | | trans | -100.9 | 117.3 | -158.4 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 102 | A | 46.9 | Very low | 50 | Low | 94 Ų | 94 | 132.4 Ų | 132.4 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | -151.2 | 111.7 | 160 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 103 | K | 46.6 | Very low | 49 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | -3.9 | 122.1 | 149.7 | -60.9 | 165.9 | -178.1 | 175.8 | 0 | 115.7 | | |
| 104 | A | 39.4 | Very low | 48.4 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | | 69.5 | 98.1 | 67.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 105 | A | 42.6 | Very low | 47.9 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -160.8 | 133.7 | 142.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 106 | K | 44.4 | Very low | 47.5 | Very low | 205 Ų | 205 | 135.7 Ų | 135.7 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -99.9 | 134.8 | 165.7 | -72.8 | 175.1 | 175.4 | 176.8 | 0 | 108 | | |
| 107 | T | 45.4 | Very low | 47.9 | Very low | 139 Ų | 139 | 138 Ų | 138 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -144.8 | 141.7 | 154.2 | -21.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 108 | N | 45.9 | Very low | 48.3 | Very low | 134 Ų | 134 | 140 Ų | 140 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | | | trans | -87.3 | -175.8 | -176.5 | -68.1 | -26.4 | 0 | 0 | 0 | 112.2 | | |
| 109 | E | 48.7 | Very low | 48.5 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | trans | 94.5 | 113.7 | 164.3 | -47.7 | -43.5 | 135.8 | 0 | 0 | 117.7 | | |
| 110 | P | 52.9 | Low | 49.1 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | trans | -107.2 | -167.4 | 174.1 | 42.6 | -33.3 | 0 | 0 | 0 | 111.5 | | |
| 111 | P | 54.4 | Low | 49.8 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 74% | 0.74 | 78% | 0.778 | S | S | * | * | | | | -124.8 | 152.3 | -63.6 | 36.3 | -22.7 | 0 | 0 | 0 | 111.4 | | |
| 112 | V | 48.3 | Very low | 50.3 | Low | 150 Ų | 150 | 132.2 Ų | 132.2 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | | | trans | -131.4 | 148.5 | 161.9 | -79.1 | 0 | 0 | 0 | 0 | 111.6 | | |
| 113 | S | 48.1 | Very low | 51.1 | Low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | | | trans | -72.1 | 157.6 | -168.9 | 50.9 | 0 | 0 | 0 | 0 | 115.1 | | |
| 114 | S | 48.6 | Very low | 51.4 | Low | 110 Ų | 110 | 130.5 Ų | 130.5 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | | | trans | 123.1 | 157.3 | 138 | 74.6 | 0 | 0 | 0 | 0 | 116.2 | | |
| 115 | T | 50 | Low | 52.5 | Low | 111 Ų | 111 | 130.3 Ų | 130.3 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | | | trans | 74.4 | 94.2 | 172.8 | -40.1 | 0 | 0 | 0 | 0 | 115.9 | E117 | T115-E117 HydrophobicContact CG2-CG 4.07Å; T115-E117 PolarHBondContact O-N 3.1Å |
| 116 | F | 48.7 | Very low | 53.6 | Low | 181 Ų | 181 | 132.9 Ų | 132.9 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | | | trans | -84.6 | 92.1 | 162.5 | -166.1 | -82.6 | 0 | 0 | 0 | 107.3 | D118 | F116-D118 HydrophobicContact CD1-CB 4.08Å; F116-D118 HydrophobicContact CE1-CB 4.09Å; F116-D118 PolarHBondContact O-N 3.02Å |
| 117 | E | 61.3 | Low | 54.6 | Low | 143 Ų | 143 | 131.6 Ų | 131.6 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | | | trans | -72.2 | 98.9 | 168.8 | -84.8 | -67.8 | 135.5 | 0 | 0 | 108.7 | T115 S119 | T115-E117 HydrophobicContact CG2-CG 4.07Å; T115-E117 PolarHBondContact O-N 3.1Å; E117-S119 PolarHBondContact O-N 3.17Å; E117-S119 PolarHBondContact OE2-OG 3.22Å |
| 118 | D | 54.8 | Low | 55.9 | Low | 141 Ų | 141 | 134.7 Ų | 134.7 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | | | trans | -81.8 | 65.5 | 172.1 | -149.4 | 20 | 0 | 0 | 0 | 108.6 | F116 D120 | F116-D118 HydrophobicContact CD1-CB 4.08Å; F116-D118 HydrophobicContact CE1-CB 4.09Å; F116-D118 PolarHBondContact O-N 3.02Å; D118-D120 PolarHBondContact O-N 3.41Å |
| 119 | S | 53.8 | Low | 57.1 | Low | 90 Ų | 90 | 134 Ų | 134 | 63% | 0.629 | 74% | 0.739 | S | S | * | * | | | trans | -83.3 | 96.8 | 179 | -87.2 | 0 | 0 | 0 | 0 | 110.7 | E117 | E117-S119 PolarHBondContact O-N 3.17Å; E117-S119 PolarHBondContact OE2-OG 3.22Å |
| 120 | D | 57.2 | Low | 58 | Low | 157 Ų | 157 | 131.4 Ų | 131.4 | 84% | 0.84 | 73% | 0.73 | S | S | * | * | | | trans | -51.3 | 126.2 | 164.9 | -156.6 | 7.6 | 0 | 0 | 0 | 110.5 | D118 | D118-D120 PolarHBondContact O-N 3.41Š|
| 121 | A | 61.5 | Low | 58.9 | Low | 83 Ų | 83 | 133.1 Ų | 133.1 | 69% | 0.686 | 73% | 0.731 | S | S | * | * | | | trans | -147 | 120.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | D123 | A121-D123 PolarHBondContact O-N 3.41Š|
| 122 | D | 57.6 | Low | 59.5 | Low | 137 Ų | 137 | 132.2 Ų | 132.2 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | | | trans | -70.9 | 90 | -167.1 | -56.2 | -96.1 | 0 | 0 | 0 | 114.8 | C124 | D122-C124 PolarHBondContact O-N 3.43Š|
| 123 | D | 62.5 | Low | 60.2 | Low | 156 Ų | 156 | 134.7 Ų | 134.7 | 83% | 0.834 | 73% | 0.726 | S | S | * | * | | | trans | -86.6 | 70.9 | 153.6 | -101.7 | -24.8 | 0 | 0 | 0 | 109.7 | A121 D125 | A121-D123 PolarHBondContact O-N 3.41Å; D123-D125 PolarHBondContact O-N 2.99Å |
| 124 | C | 54.4 | Low | 61 | Low | 99 Ų | 99 | 133.6 Ų | 133.6 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | | | trans | -73 | 62.1 | 169 | -78.3 | 0 | 0 | 0 | 0 | 110.6 | D122 N126 | D122-C124 PolarHBondContact O-N 3.43Å; C124-N126 VanDerWaalsContact C-N 3.27Å; C124-N126 PolarHBondContact O-N 3.16Å |
| 125 | D | 61.8 | Low | 61.2 | Low | 96 Ų | 96 | 134.7 Ų | 134.7 | 51% | 0.513 | 72% | 0.715 | S | S | . | * | | | trans | -73 | 86.3 | -178.2 | -135.4 | -4 | 0 | 0 | 0 | 108.7 | D123 Y127 | D123-D125 PolarHBondContact O-N 2.99Å; D125-Y127 HydrophobicContact CB-CD2 4.01Å; D125-Y127 HydrophobicContact CB-CE2 3.58Å; D125-Y127 WeakPolarHBondContact O-CD2 3.41Å; D125-Y127 PolarHBondContact O-N 3.34Å; D125-Y127 PolarHBondContact OD1-OH 3.22Å; D125-Y127 WeakPolarHBondContact OD2-CE2 3.43Å; D125-Y127 PolarHBondContact OD2-OH 2.92Å |
| 126 | N | 64.9 | Low | 61.5 | Low | 158 Ų | 158 | 134.8 Ų | 134.8 | 85% | 0.845 | 72% | 0.716 | S | S | * | * | | | trans | -78 | 52.7 | -163 | -133.8 | 22.7 | 0 | 0 | 0 | 111.5 | C124 R128 | C124-N126 VanDerWaalsContact C-N 3.27Å; C124-N126 PolarHBondContact O-N 3.16Å; N126-R128 VanDerWaalsContact C-N 3.28Å; N126-R128 PolarHBondContact O-N 3.38Å |
| 127 | Y | 66.9 | Low | 61.6 | Low | 177 Ų | 177 | 133.8 Ų | 133.8 | 69% | 0.694 | 71% | 0.713 | S | S | * | * | | | trans | -66.7 | 83 | 178.3 | -64.2 | -64.5 | 0 | 0 | 0 | 111.3 | D125 V129 | D125-Y127 HydrophobicContact CB-CD2 4.01Å; D125-Y127 HydrophobicContact CB-CE2 3.58Å; D125-Y127 WeakPolarHBondContact O-CD2 3.41Å; D125-Y127 PolarHBondContact O-N 3.34Å; D125-Y127 PolarHBondContact OD1-OH 3.22Å; D125-Y127 WeakPolarHBondContact OD2-CE2 3.43Å; D125-Y127 PolarHBondContact OD2-OH 2.92Å; Y127-V129 PolarHBondContact O-N 3.1Å |
| 128 | R | 71 | Confident | 61.1 | Low | 204 Ų | 204 | 130.6 Ų | 130.6 | 77% | 0.77 | 72% | 0.719 | S | S | * | * | | | trans | -70.7 | 98 | 167.1 | -165.6 | 173.2 | -168.7 | -108.6 | 3.9 | 108.7 | N126 I130 | N126-R128 VanDerWaalsContact C-N 3.28Å; N126-R128 PolarHBondContact O-N 3.38Å; R128-I130 VanDerWaalsContact C-N 3.31Å; R128-I130 HydrophobicContact CG-CG1 4.18Å; R128-I130 PolarHBondContact O-N 3.19Å |
| 129 | V | 72.2 | Confident | 61.1 | Low | 121 Ų | 121 | 129.3 Ų | 129.3 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | | | trans | -65.7 | 91.7 | 170.9 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | Y127 I131 | Y127-V129 PolarHBondContact O-N 3.1Å; V129-I131 HydrophobicContact CG1-CG1 4.13Å; V129-I131 PolarHBondContact O-N 2.92Å |
| 130 | I | 67.5 | Low | 61.1 | Low | 110 Ų | 110 | 131.8 Ų | 131.8 | 56% | 0.564 | 73% | 0.732 | S | S | * | * | | | trans | -78.9 | 101.5 | 172 | -56.9 | 179.6 | 0 | 0 | 0 | 107.3 | R128 S132 | R128-I130 VanDerWaalsContact C-N 3.31Å; R128-I130 HydrophobicContact CG-CG1 4.18Å; R128-I130 PolarHBondContact O-N 3.19Å; I130-S132 WeakPolarHBondContact CG2-OG 3.5Å; I130-S132 PolarHBondContact O-N 2.81Å |
| 131 | I | 72 | Confident | 60.9 | Low | 149 Ų | 149 | 128.3 Ų | 128.3 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | | | trans | -74.2 | 75.6 | 167.9 | -51.8 | 178.7 | 0 | 0 | 0 | 108 | V129 K133 | V129-I131 HydrophobicContact CG1-CG1 4.13Å; V129-I131 PolarHBondContact O-N 2.92Å; I131-K133 PolarHBondContact O-N 3.37Å |
| 132 | S | 66.4 | Low | 61 | Low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 72% | 0.721 | S | S | * | * | | | trans | -62.2 | 114.2 | 167.5 | -68.1 | 0 | 0 | 0 | 0 | 108 | I130 S134 | I130-S132 WeakPolarHBondContact CG2-OG 3.5Å; I130-S132 PolarHBondContact O-N 2.81Å; S132-S134 VanDerWaalsContact C-N 3.33Å; S132-S134 PolarHBondContact O-N 3.01Å |
| 133 | K | 63.7 | Low | 61.7 | Low | 202 Ų | 202 | 128.2 Ų | 128.2 | 88% | 0.878 | 72% | 0.716 | S | S | * | * | | | trans | -66.4 | 96 | 167.7 | -71.8 | -177.7 | 178.4 | 178.9 | 0 | 107.9 | I131 N135 | I131-K133 PolarHBondContact O-N 3.37Å; K133-N135 PolarHBondContact O-N 3.08Å; K133-N135 VanDerWaalsContact O-N 3.1Å |
| 134 | S | 64 | Low | 62.2 | Low | 86 Ų | 86 | 123.2 Ų | 123.2 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | | | trans | -62.6 | 111.7 | 165 | 54.7 | 0 | 0 | 0 | 0 | 107.7 | S132 T136 | S132-S134 VanDerWaalsContact C-N 3.33Å; S132-S134 PolarHBondContact O-N 3.01Å; S134-T136 PolarHBondContact O-N 3.29Å; S134-T136 PolarHBondContact O-OG1 2.95Å |
| 135 | N | 53.6 | Low | 63.4 | Low | 134 Ų | 134 | 123.2 Ų | 123.2 | 72% | 0.717 | 69% | 0.69 | S | S | * | * | | | trans | -75.4 | 58.4 | 171.6 | -168.2 | 42.9 | 0 | 0 | 0 | 110 | K133 H137 | K133-N135 PolarHBondContact O-N 3.08Å; K133-N135 VanDerWaalsContact O-N 3.1Å; N135-H137 PolarHBondContact ND2-CD2 2.9Å; N135-H137 PolarHBondContact ND2-NE2 3Å; N135-H137 PolarHBondContact O-N 2.77Å; N135-H137 VanDerWaalsContact O-N 3.14Å |
| 136 | T | 55.1 | Low | 64.1 | Low | 112 Ų | 112 | 126.9 Ų | 126.9 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | | | trans | -80.9 | 88.8 | 175.6 | 41.4 | 0 | 0 | 0 | 0 | 108.7 | S134 | S134-T136 PolarHBondContact O-N 3.29Å; S134-T136 PolarHBondContact O-OG1 2.95Å |
| 137 | H | 52.4 | Low | 64.3 | Low | 160 Ų | 160 | 123.1 Ų | 123.1 | 74% | 0.741 | 69% | 0.688 | S | S | * | * | | | trans | -56.1 | 143.3 | 155.6 | -68.6 | -110.1 | 0 | 0 | 0 | 108.9 | N135 | N135-H137 PolarHBondContact ND2-CD2 2.9Å; N135-H137 PolarHBondContact ND2-NE2 3Å; N135-H137 PolarHBondContact O-N 2.77Å; N135-H137 VanDerWaalsContact O-N 3.14Å |
| 138 | G | 50.5 | Low | 64.6 | Low | 76 Ų | 76 | 122.9 Ų | 122.9 | 78% | 0.784 | 69% | 0.686 | S | S | * | * | | | trans | 82.7 | 71.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 139 | S | 55.1 | Low | 64.9 | Low | 115 Ų | 115 | 120.1 Ų | 120.1 | 80% | 0.804 | 69% | 0.685 | S | S | * | * | | | trans | -152 | 86.4 | 136.6 | -162.8 | 0 | 0 | 0 | 0 | 110 | S141 | S139-S141 PolarHBondContact O-N 2.99Š|
| 140 | T | 51.8 | Low | 64.5 | Low | 141 Ų | 141 | 116.7 Ų | 116.7 | 87% | 0.865 | 68% | 0.675 | S | S | * | * | | | trans | -77.9 | 68.7 | 179.6 | 51 | 0 | 0 | 0 | 0 | 110.7 | S142 | T140-S142 PolarHBondContact O-N 3.4Š|
| 141 | S | 53.4 | Low | 64 | Low | 85 Ų | 85 | 118.9 Ų | 118.9 | 59% | 0.594 | 69% | 0.688 | S | S | * | * | | | trans | -68.7 | 103 | 166.6 | -164.1 | 0 | 0 | 0 | 0 | 108.4 | S139 D143 | S139-S141 PolarHBondContact O-N 2.99Å; S141-D143 PolarHBondContact O-N 3.41Å |
| 142 | S | 65 | Low | 63.1 | Low | 98 Ų | 98 | 116.1 Ų | 116.1 | 69% | 0.685 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.4 | -1.3 | -168.7 | 47.5 | 0 | 0 | 0 | 0 | 115.1 | T140 | T140-S142 PolarHBondContact O-N 3.4Š|
| 143 | D | 70.7 | Confident | 62.8 | Low | 120 Ų | 120 | 117 Ų | 117 | 64% | 0.642 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -0.3 | -173.5 | -117.6 | 0.6 | 0 | 0 | 0 | 115.2 | S141 V145 R148 | S141-D143 PolarHBondContact O-N 3.41Å; D143-V145 PolarHBondContact O-N 3.43Å; D143-R148 IonicContact OD1-CZ 3.97Å; D143-R148 IonicContact OD1-NH2 2.81Å; D143-R148 PolarHBondContact OD1-NH2 3.11Å |
| 144 | S | 74.7 | Confident | 62.2 | Low | 50 Ų | 50 | 114.2 Ų | 114.2 | 35% | 0.35 | 68% | 0.683 | S | S | . | * | | | trans | -72.6 | 123.3 | 171.8 | 179.7 | 0 | 0 | 0 | 0 | 111.6 | F146 S147 R148 | S144-F146 PolarHBondContact O-N 2.75Å; S144-F146 VanDerWaalsContact O-N 3.16Å; S144-F146 PolarHBondContact OG-N 3.23Å; S144-S147 WeakPolarHBondContact O-CB 3.3Å; S144-S147 PolarHBondContact O-N 2.98Å; S144-R148 PolarHBondContact O-N 3.24Å |
| 145 | V | 78.4 | Confident | 61.6 | Low | 99 Ų | 99 | 120.6 Ų | 120.6 | 60% | 0.6 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | -31.5 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 111.8 | D143 R148 L149 | D143-V145 PolarHBondContact O-N 3.43Å; V145-R148 PolarHBondContact O-N 2.83Å; V145-L149 HydrophobicContact CG1-CD1 4.32Å; V145-L149 PolarHBondContact O-N 3.33Å |
| 146 | F | 76.1 | Confident | 61.5 | Low | 173 Ų | 173 | 122.7 Ų | 122.7 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -35.6 | 176.8 | -63.7 | -78.4 | 0 | 0 | 0 | 112.5 | S144 R148 L149 G150 | S144-F146 PolarHBondContact O-N 2.75Å; S144-F146 VanDerWaalsContact O-N 3.16Å; S144-F146 PolarHBondContact OG-N 3.23Å; F146-R148 PolarHBondContact O-N 2.99Å; F146-L149 PolarHBondContact O-N 3.27Å; F146-G150 PolarHBondContact O-N 3.26Å |
| 147 | S | 70.9 | Confident | 61 | Low | 80 Ų | 80 | 124.2 Ų | 124.2 | 56% | 0.559 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -29.6 | 173.8 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | S144 L149 | S144-S147 WeakPolarHBondContact O-CB 3.3Å; S144-S147 PolarHBondContact O-N 2.98Å; S147-L149 VanDerWaalsContact C-N 3.32Å |
| 148 | R | 73 | Confident | 60.4 | Low | 172 Ų | 172 | 122.1 Ų | 122.1 | 65% | 0.649 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | -13.9 | 177.3 | -59.5 | -175.7 | -176.2 | -165.9 | 6.1 | 113.9 | D143 S144 V145 F146 | D143-R148 IonicContact OD1-CZ 3.97Å; D143-R148 IonicContact OD1-NH2 2.81Å; D143-R148 PolarHBondContact OD1-NH2 3.11Å; S144-R148 PolarHBondContact O-N 3.24Å; V145-R148 PolarHBondContact O-N 2.83Å; F146-R148 PolarHBondContact O-N 2.99Å |
| 149 | L | 76.4 | Confident | 60.1 | Low | 145 Ų | 145 | 124.3 Ų | 124.3 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | -8.2 | -179.2 | -64.3 | 175.3 | 0 | 0 | 0 | 113.3 | V145 F146 S147 | V145-L149 HydrophobicContact CG1-CD1 4.32Å; V145-L149 PolarHBondContact O-N 3.33Å; F146-L149 PolarHBondContact O-N 3.27Å; S147-L149 VanDerWaalsContact C-N 3.32Å |
| 150 | G | 63.1 | Low | 59.5 | Low | 50 Ų | 50 | 125.3 Ų | 125.3 | 52% | 0.515 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -84.7 | 117 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F146 A152 | F146-G150 PolarHBondContact O-N 3.26Å; G150-A152 PolarHBondContact O-N 3.34Å; G150-A152 VanDerWaalsContact O-N 3.12Å |
| 151 | N | 57.5 | Low | 59.1 | Low | 155 Ų | 155 | 123 Ų | 123 | 83% | 0.829 | 70% | 0.698 | S | S | * | * | | | trans | -52.7 | 117.5 | 165.2 | -97.8 | 11.9 | 0 | 0 | 0 | 109.9 | V153 | N151-V153 VanDerWaalsContact C-N 3.31Å; N151-V153 PolarHBondContact O-N 2.71Å |
| 152 | A | 54.2 | Low | 58.3 | Low | 91 Ų | 91 | 125.2 Ų | 125.2 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | | | trans | -69.3 | 89.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | G150 N154 | G150-A152 PolarHBondContact O-N 3.34Å; G150-A152 VanDerWaalsContact O-N 3.12Å; A152-N154 PolarHBondContact O-N 3Å |
| 153 | V | 59.4 | Low | 57 | Low | 114 Ų | 114 | 128.3 Ų | 128.3 | 69% | 0.691 | 72% | 0.716 | S | S | * | * | | | trans | -82.8 | 94.2 | 164.9 | -86.5 | 0 | 0 | 0 | 0 | 108.6 | N151 R155 | N151-V153 VanDerWaalsContact C-N 3.31Å; N151-V153 PolarHBondContact O-N 2.71Å; V153-R155 PolarHBondContact O-N 3.22Å |
| 154 | N | 51.8 | Low | 55.5 | Low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | | | trans | -55 | 124.2 | 167.8 | -63.6 | -23.3 | 0 | 0 | 0 | 108.7 | A152 | A152-N154 PolarHBondContact O-N 3Š|
| 155 | R | 50.3 | Low | 54.1 | Low | 220 Ų | 220 | 137 Ų | 137 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | | | trans | -118.6 | 100.2 | 167.1 | -72.2 | -171.2 | 177.6 | -155.3 | -0.5 | 106.8 | V153 | V153-R155 PolarHBondContact O-N 3.22Š|
| 156 | E | 52.8 | Low | 52.6 | Low | 178 Ų | 178 | 141 Ų | 141 | 83% | 0.832 | 76% | 0.757 | S | S | * | * | | | trans | -78.6 | 143.3 | 154.4 | -104.9 | 79.1 | -161.8 | 0 | 0 | 108.9 | | |
| 157 | D | 43.5 | Very low | 51 | Low | 145 Ų | 145 | 138.1 Ų | 138.1 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | | | trans | -88.3 | 154 | -171.2 | -59.5 | -74.1 | 0 | 0 | 0 | 113.8 | | |
| 158 | S | 41 | Very low | 49.9 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | | | | 173 | 130.5 | 123.4 | -79 | 0 | 0 | 0 | 0 | 112.4 | | |
| 159 | P | 43 | Very low | 48.5 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | | | trans | -116 | 122 | -179.5 | 37.3 | -26.2 | 0 | 0 | 0 | 114.7 | | |
| 160 | T | 43.5 | Very low | 46.9 | Very low | 137 Ų | 137 | 138.9 Ų | 138.9 | 84% | 0.84 | 77% | 0.77 | S | S | * | * | | | trans | -166.3 | 147.7 | 162.7 | 11.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 161 | S | 42.7 | Very low | 46.3 | Very low | 91 Ų | 91 | 142.6 Ų | 142.6 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | | | cis | 171.2 | 136.7 | -34.1 | 61.2 | 0 | 0 | 0 | 0 | 105.9 | | |
| 162 | V | 37.4 | Very low | 45.8 | Very low | 132 Ų | 132 | 139 Ų | 139 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | | | trans | 66.2 | 124.2 | 159.5 | -167.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 163 | L | 37 | Very low | 45.1 | Very low | 164 Ų | 164 | 140 Ų | 140 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | | -168.6 | 155.1 | 74.7 | -170.3 | 63.6 | 0 | 0 | 0 | 112 | | |
| 164 | I | 39.4 | Very low | 44.3 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 80% | 0.795 | 79% | 0.793 | S | S | * | * | | | trans | -117.9 | 134.2 | -173.7 | -61.8 | 165.9 | 0 | 0 | 0 | 111.8 | | |
| 165 | K | 45.8 | Very low | 44.2 | Very low | 198 Ų | 198 | 144.6 Ų | 144.6 | 86% | 0.861 | 80% | 0.799 | S | S | * | * | | | trans | -160.2 | 109.3 | 155.2 | -140.1 | 169.8 | 177.2 | 177.8 | 0 | 107.5 | | |
| 166 | K | 46.4 | Very low | 43.8 | Very low | 183 Ų | 183 | 145.1 Ų | 145.1 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | | | | 53.2 | 125.7 | 71.2 | -119.2 | 177 | 179.4 | 177.6 | 0 | 110.9 | | |
| 167 | T | 41 | Very low | 43.5 | Very low | 111 Ų | 111 | 146.7 Ų | 146.7 | 68% | 0.681 | 81% | 0.806 | S | S | * | * | | | cis | -161 | 177.6 | 30.8 | -41.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 168 | I | 47.6 | Very low | 43.6 | Very low | 148 Ų | 148 | 147.7 Ų | 147.7 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | | | trans | 77.3 | 129.6 | 163.6 | -56.7 | 149.3 | 0 | 0 | 0 | 114.5 | | |
| 169 | D | 44.4 | Very low | 43.8 | Very low | 144 Ų | 144 | 153.7 Ų | 153.7 | 77% | 0.77 | 81% | 0.814 | S | S | * | * | | | cis | -146.3 | 160.6 | -8.4 | -117.2 | -13.2 | 0 | 0 | 0 | 111.3 | | |
| 170 | P | 43.3 | Very low | 43.8 | Very low | 122 Ų | 122 | 159.2 Ų | 159.2 | 79% | 0.792 | 82% | 0.82 | S | S | * | * | | | trans | -103.3 | 102.9 | -168.1 | 36.7 | -30.4 | 0 | 0 | 0 | 114.8 | | |
| 171 | S | 49.4 | Very low | 43.6 | Very low | 127 Ų | 127 | 158.6 Ų | 158.6 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | | | trans | -134.8 | 5.8 | 174.2 | -161.1 | 0 | 0 | 0 | 0 | 115.6 | | |
| 172 | A | 47.7 | Very low | 43.6 | Very low | 79 Ų | 79 | 162 Ų | 162 | 65% | 0.653 | 82% | 0.821 | S | S | * | * | | | trans | -135.4 | 80.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | M174 | A172-M174 VanDerWaalsContact C-N 3.25Å; A172-M174 PolarHBondContact O-N 3.36Å |
| 173 | A | 39.7 | Very low | 43.7 | Very low | 113 Ų | 113 | 162 Ų | 162 | 93% | 0.934 | 82% | 0.817 | S | S | * | * | | | trans | -84 | 9.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 174 | M | 42.7 | Very low | 44.1 | Very low | 163 Ų | 163 | 160.9 Ų | 160.9 | 80% | 0.803 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -126.4 | 154.4 | 171.7 | -66.4 | -175.9 | -72.1 | 0 | 0 | 109.2 | A172 | A172-M174 VanDerWaalsContact C-N 3.25Å; A172-M174 PolarHBondContact O-N 3.36Å |
| 175 | Q | 49.9 | Very low | 44.1 | Very low | 190 Ų | 190 | 160.8 Ų | 160.8 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | | | trans | 84.7 | 23.3 | 178.8 | -46.1 | -174.9 | 22.2 | 0 | 0 | 119.1 | F177 | Q175-F177 PolarHBondContact O-N 3.35Š|
| 176 | R | 41.3 | Very low | 43.7 | Very low | 230 Ų | 230 | 156.2 Ų | 156.2 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 65 | 165.1 | -66.1 | -165.1 | -170.9 | -149.4 | 3 | 113.5 | | |
| 177 | F | 46.6 | Very low | 43.5 | Very low | 211 Ų | 211 | 155.8 Ų | 155.8 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.7 | -1 | 166 | -94.6 | -72.2 | 0 | 0 | 0 | 115.1 | Q175 | Q175-F177 PolarHBondContact O-N 3.35Š|
| 178 | I | 46.6 | Very low | 43.3 | Very low | 166 Ų | 166 | 154.4 Ų | 154.4 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | S | Bend | trans | -137.9 | 73.6 | -178.1 | -49.1 | 177.8 | 0 | 0 | 0 | 110.2 | | |
| 179 | R | 43.6 | Very low | 43.1 | Very low | 241 Ų | 241 | 152.7 Ų | 152.7 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | -167.9 | 82.3 | 160.8 | -166.2 | 163.7 | 165.2 | -164.4 | -6.2 | 111.9 | | |
| 180 | W | 44.8 | Very low | 43.3 | Very low | 238 Ų | 238 | 150.6 Ų | 150.6 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -119 | 100.2 | 152.4 | -152.8 | -68.8 | 0 | 0 | 0 | 107.7 | | |
| 181 | N | 38.8 | Very low | 43.2 | Very low | 125 Ų | 125 | 153.5 Ų | 153.5 | 67% | 0.668 | 82% | 0.815 | S | S | * | * | | | trans | 39.1 | 89.4 | 167 | -58.5 | -24.1 | 0 | 0 | 0 | 118.6 | | |
| 182 | L | 42.1 | Very low | 43.1 | Very low | 162 Ų | 162 | 157.8 Ų | 157.8 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | | -77.2 | 163.1 | 127.7 | -83.2 | 147.4 | 0 | 0 | 0 | 108.9 | | |
| 183 | N | 40.5 | Very low | 43.1 | Very low | 132 Ų | 132 | 158.6 Ų | 158.6 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | | | trans | 72.1 | 134.2 | -174.2 | -72.5 | 64.1 | 0 | 0 | 0 | 114.1 | | |
| 184 | D | 43.8 | Very low | 43.3 | Very low | 141 Ų | 141 | 159 Ų | 159 | 75% | 0.754 | 80% | 0.803 | S | S | * | * | | | cis | -130 | 159.1 | 8.4 | -83.5 | -58.6 | 0 | 0 | 0 | 114.3 | | |
| 185 | N | 40.2 | Very low | 44.2 | Very low | 153 Ų | 153 | 157.3 Ų | 157.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -73.8 | 175.3 | 171.2 | -67.6 | -55 | 0 | 0 | 0 | 112 | | |
| 186 | S | 36.8 | Very low | 43.9 | Very low | 101 Ų | 101 | 153.1 Ų | 153.1 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | | | trans | 99.8 | 117 | 144.4 | -102.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 187 | L | 42.7 | Very low | 44 | Very low | 174 Ų | 174 | 148.7 Ų | 148.7 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | trans | 78 | 134.7 | 140.4 | -57 | 159.5 | 0 | 0 | 0 | 118.7 | | |
| 188 | G | 36.8 | Very low | 43.9 | Very low | 82 Ų | 82 | 145.4 Ų | 145.4 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | | | trans | 156.7 | 18.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | | |
| 189 | S | 43.6 | Very low | 43.6 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | | | trans | -56 | 168.5 | 167.3 | 173.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 190 | P | 49 | Very low | 43.5 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 66% | 0.656 | 79% | 0.788 | S | S | * | * | | | cis | -135.2 | -167.3 | -34.4 | 37.7 | -19.6 | 0 | 0 | 0 | 113.2 | | |
| 191 | F | 41.3 | Very low | 43.2 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | | | trans | 156.9 | 108.7 | 135.7 | -102.3 | -100 | 0 | 0 | 0 | 109.8 | | |
| 192 | R | 45.9 | Very low | 43.4 | Very low | 218 Ų | 218 | 140.7 Ų | 140.7 | 82% | 0.823 | 80% | 0.796 | S | S | * | * | | | | 99.9 | 164.9 | 85.2 | -131.9 | -154.5 | 168.2 | -154.1 | -0.9 | 111.8 | | |
| 193 | P | 47.9 | Very low | 43.2 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 62% | 0.617 | 80% | 0.795 | S | S | * | * | | | | -120.7 | 175.7 | -102.4 | 41.6 | -26.1 | 0 | 0 | 0 | 115.3 | | |
| 194 | P | 45.1 | Very low | 43.6 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 157.9 | -178.3 | 37.5 | -34.7 | 0 | 0 | 0 | 114.5 | | |
| 195 | P | 60.2 | Low | 44 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 151.3 | 171.1 | 36.1 | -31.8 | 0 | 0 | 0 | 114.8 | | |
| 196 | S | 44.2 | Very low | 44.2 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 150.6 | -179.5 | 46.4 | 0 | 0 | 0 | 0 | 118.7 | | |
| 197 | V | 43.9 | Very low | 44.6 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | | | trans | 0.4 | 136.7 | 148 | -76 | 0 | 0 | 0 | 0 | 120.8 | | |
| 198 | T | 44 | Very low | 44.7 | Very low | 143 Ų | 143 | 137 Ų | 137 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -150.2 | 133.4 | 138.2 | -4.9 | 0 | 0 | 0 | 0 | 111 | | |
| 199 | E | 40.1 | Very low | 45.5 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | | | trans | -82.8 | 139.2 | 171.1 | -58.3 | 174.5 | 137.6 | 0 | 0 | 110 | | |
| 200 | T | 41.7 | Very low | 45.8 | Very low | 129 Ų | 129 | 141.2 Ų | 141.2 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | | | trans | -147.3 | 123.7 | 156.1 | -65.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 201 | M | 38.5 | Very low | 45.9 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 86% | 0.862 | 79% | 0.792 | S | S | * | * | | | trans | -72.3 | 134.5 | 170.2 | -65.5 | -177.2 | 164.7 | 0 | 0 | 110.6 | | |
| 202 | M | 43.6 | Very low | 46.4 | Very low | 177 Ų | 177 | 145 Ų | 145 | 87% | 0.872 | 79% | 0.794 | S | S | * | * | | | trans | -142.1 | 125.7 | 149.2 | -86.9 | -57.4 | 159.4 | 0 | 0 | 110.5 | | |
| 203 | T | 38.5 | Very low | 46.6 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -95.4 | 128.3 | 175.5 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | | |
| 204 | S | 48.9 | Very low | 46.9 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | | | trans | -143.9 | 113.8 | 155.3 | 45.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 205 | S | 50.4 | Low | 47.6 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | | 63 | 92.5 | 83.2 | -62.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 206 | E | 45.6 | Very low | 46.9 | Very low | 175 Ų | 175 | 147.4 Ų | 147.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | | 98 | 94.1 | 88.7 | -79.1 | -97 | 139.4 | 0 | 0 | 109.1 | | |
| 207 | D | 44.9 | Very low | 47.2 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | | | trans | -149.4 | 102.3 | 157.4 | -122.2 | -24.6 | 0 | 0 | 0 | 110.8 | | |
| 208 | S | 44.2 | Very low | 47.2 | Very low | 92 Ų | 92 | 146.5 Ų | 146.5 | 64% | 0.643 | 79% | 0.794 | S | S | * | * | | | trans | -93.8 | 104.5 | -174.5 | -87.5 | 0 | 0 | 0 | 0 | 112.1 | N210 | S208-N210 PolarHBondContact O-N 3.14Š|
| 209 | L | 53.3 | Low | 47.3 | Very low | 144 Ų | 144 | 144.4 Ų | 144.4 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -100.1 | 72.9 | 166.9 | -79.8 | 168.6 | 0 | 0 | 0 | 112.1 | F211 | L209-F211 HydrophobicContact CB-CE2 4.08Å; L209-F211 HydrophobicContact CD2-CE2 4.08Å; L209-F211 HydrophobicContact CD2-CZ 4.01Å; L209-F211 PolarHBondContact O-N 2.98Å |
| 210 | N | 50.2 | Low | 47.5 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | | | trans | -81.5 | 87.5 | 176.3 | -81.2 | -62.8 | 0 | 0 | 0 | 112.5 | S208 K212 | S208-N210 PolarHBondContact O-N 3.14Å; N210-K212 PolarHBondContact O-N 3.03Å; N210-K212 VanDerWaalsContact O-N 3.15Å |
| 211 | F | 51.7 | Low | 47.6 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 75% | 0.75 | 78% | 0.779 | S | S | * | * | | | trans | -80.2 | 90.9 | 171 | -66.9 | -74.5 | 0 | 0 | 0 | 112.2 | L209 V213 | L209-F211 HydrophobicContact CB-CE2 4.08Å; L209-F211 HydrophobicContact CD2-CE2 4.08Å; L209-F211 HydrophobicContact CD2-CZ 4.01Å; L209-F211 PolarHBondContact O-N 2.98Å; F211-V213 PolarHBondContact O-N 3.49Å |
| 212 | K | 52.2 | Low | 48.4 | Very low | 192 Ų | 192 | 143.2 Ų | 143.2 | 84% | 0.835 | 78% | 0.778 | S | S | * | * | | | trans | -74 | 101.5 | 168.3 | -86.9 | -170.8 | 174.4 | -178.7 | 0 | 111.4 | N210 V214 | N210-K212 PolarHBondContact O-N 3.03Å; N210-K212 VanDerWaalsContact O-N 3.15Å; K212-V214 PolarHBondContact O-N 2.86Å; K212-V214 VanDerWaalsContact O-N 3.17Å |
| 213 | V | 50.3 | Low | 48.3 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | | | trans | -78.3 | 94.3 | 165.4 | -179.1 | 0 | 0 | 0 | 0 | 109.6 | F211 K215 | F211-V213 PolarHBondContact O-N 3.49Å; V213-K215 PolarHBondContact O-N 2.99Å |
| 214 | V | 53.3 | Low | 48.9 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | | | trans | -79.6 | 108.2 | 171.9 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | K212 Q216 | K212-V214 PolarHBondContact O-N 2.86Å; K212-V214 VanDerWaalsContact O-N 3.17Å; V214-Q216 PolarHBondContact O-N 3.11Å |
| 215 | K | 59.5 | Low | 48.7 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 77% | 0.774 | 78% | 0.777 | S | S | * | * | | | trans | -81.7 | 100.8 | 171.8 | -176 | 176.9 | 178.9 | 177.4 | 0 | 110 | V213 V217 | V213-K215 PolarHBondContact O-N 2.99Å; K215-V217 HydrophobicContact CG-CG2 4.38Å; K215-V217 PolarHBondContact O-N 3.33Å |
| 216 | Q | 47 | Very low | 48.9 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -67.9 | 115.6 | 174.2 | -160.1 | 172.8 | 2.9 | 0 | 0 | 110 | V214 | V214-Q216 PolarHBondContact O-N 3.11Š|
| 217 | V | 50.3 | Low | 48.8 | Very low | 111 Ų | 111 | 145 Ų | 145 | 67% | 0.673 | 78% | 0.781 | S | S | * | * | | | trans | -105.6 | 98.5 | 175.3 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | K215 S219 | K215-V217 HydrophobicContact CG-CG2 4.38Å; K215-V217 PolarHBondContact O-N 3.33Å; V217-S219 PolarHBondContact O-N 3.41Å |
| 218 | S | 43.2 | Very low | 49.3 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | | | trans | -78.9 | 94 | 171.3 | -62 | 0 | 0 | 0 | 0 | 110.3 | | |
| 219 | S | 45.2 | Very low | 49.3 | Very low | 99 Ų | 99 | 149.2 Ų | 149.2 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | | | trans | -90.5 | 92.8 | 166.3 | 55.7 | 0 | 0 | 0 | 0 | 110 | V217 T221 | V217-S219 PolarHBondContact O-N 3.41Å; S219-T221 PolarHBondContact O-N 2.86Å |
| 220 | L | 44.5 | Very low | 49.3 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 82% | 0.817 | 79% | 0.786 | S | S | * | * | | | trans | -83.5 | 105.2 | 171.8 | -172.9 | 66.3 | 0 | 0 | 0 | 109.9 | | |
| 221 | T | 44.1 | Very low | 49.2 | Very low | 121 Ų | 121 | 155 Ų | 155 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | | | trans | -78.8 | 122.1 | 174.7 | 49.9 | 0 | 0 | 0 | 0 | 111.4 | S219 | S219-T221 PolarHBondContact O-N 2.86Š|
| 222 | K | 54.6 | Low | 49.5 | Very low | 190 Ų | 190 | 153 Ų | 153 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -140.5 | 117.8 | 154.3 | -69.6 | -164.8 | 177.7 | -173.3 | 0 | 109.7 | | |
| 223 | N | 41.6 | Very low | 49.4 | Very low | 157 Ų | 157 | 149.3 Ų | 149.3 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | | | trans | -74.9 | 139 | 171.3 | -64.3 | -63.3 | 0 | 0 | 0 | 109.7 | | |
| 224 | V | 51.2 | Low | 49.7 | Very low | 141 Ų | 141 | 149.5 Ų | 149.5 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | | | trans | -144.5 | 136.2 | 151 | 178.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 225 | D | 46.2 | Very low | 49.9 | Very low | 142 Ų | 142 | 152.6 Ų | 152.6 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | | | trans | -73.8 | 147 | -172.5 | -51.7 | -85.4 | 0 | 0 | 0 | 114.3 | | |
| 226 | Q | 54.1 | Low | 49.8 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | | | | 176.6 | 142.9 | 121.5 | -97.5 | 179.8 | 49.2 | 0 | 0 | 112.3 | | |
| 227 | P | 42.6 | Very low | 50.4 | Low | 128 Ų | 128 | 154 Ų | 154 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -98.6 | 105.8 | -178.1 | 35.6 | -30.5 | 0 | 0 | 0 | 113 | | |
| 228 | I | 55 | Low | 50.9 | Low | 138 Ų | 138 | 153.2 Ų | 153.2 | 71% | 0.708 | 80% | 0.798 | S | S | * | * | | | trans | -119.3 | 119.3 | 167.7 | -59.2 | -178 | 0 | 0 | 0 | 110.4 | L230 | I228-L230 PolarHBondContact O-N 3.4Å; I228-L230 VanDerWaalsContact O-N 3.1Å |
| 229 | K | 45.2 | Very low | 51.9 | Low | 210 Ų | 210 | 152.1 Ų | 152.1 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | | | trans | -69.7 | 97.8 | -177.1 | -68.7 | 170.7 | 177.3 | 169.9 | 0 | 111.5 | | |
| 230 | L | 52.7 | Low | 52.6 | Low | 148 Ų | 148 | 154 Ų | 154 | 78% | 0.775 | 79% | 0.793 | S | S | * | * | | | trans | -129.2 | 125.9 | 166.8 | -72.5 | 174.7 | 0 | 0 | 0 | 111.8 | I228 T232 | I228-L230 PolarHBondContact O-N 3.4Å; I228-L230 VanDerWaalsContact O-N 3.1Å; L230-T232 PolarHBondContact O-N 3.22Å |
| 231 | R | 49.6 | Very low | 53.4 | Low | 256 Ų | 256 | 150.1 Ų | 150.1 | 97% | 0.966 | 78% | 0.776 | S | S | * | * | | | trans | -55.4 | 114.5 | 179.6 | -91.2 | 174.2 | 158.7 | 161.5 | -6.4 | 111.2 | | |
| 232 | T | 57.1 | Low | 54.3 | Low | 129 Ų | 129 | 149.5 Ų | 149.5 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | | | trans | -83.9 | 138.4 | 170.1 | 47.3 | 0 | 0 | 0 | 0 | 111.1 | L230 | L230-T232 PolarHBondContact O-N 3.22Š|
| 233 | P | 50.7 | Low | 54.7 | Low | 114 Ų | 114 | 147.8 Ų | 147.8 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | | | trans | -71.8 | 140.9 | 173.5 | 29.4 | -33.6 | 0 | 0 | 0 | 110.7 | K235 | P233-K235 PolarHBondContact O-N 3.11Š|
| 234 | L | 55 | Low | 55.7 | Low | 144 Ų | 144 | 143.5 Ų | 143.5 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | | | trans | -65.8 | 84.7 | -177.2 | -172.4 | 72.1 | 0 | 0 | 0 | 112 | R236 | L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 HydrophobicContact CD2-CG 4.3Å; L234-R236 HydrophobicContact CG-CG 4.22Å; L234-R236 PolarHBondContact O-N 3.05Å |
| 235 | K | 58.3 | Low | 56.2 | Low | 188 Ų | 188 | 146 Ų | 146 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | | | trans | -65.1 | 89.6 | 168.2 | -88.3 | -178.9 | 171.8 | 176.1 | 0 | 109.9 | P233 H237 | P233-K235 PolarHBondContact O-N 3.11Å; K235-H237 PolarHBondContact O-N 2.97Å |
| 236 | R | 57.7 | Low | 57.1 | Low | 212 Ų | 212 | 145.9 Ų | 145.9 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | | | trans | -69.9 | 122.9 | 164.9 | -57.3 | -175.3 | -162.6 | 137.4 | 4.1 | 108.2 | L234 A238 | L234-R236 VanDerWaalsContact C-N 3.34Å; L234-R236 HydrophobicContact CD2-CG 4.3Å; L234-R236 HydrophobicContact CG-CG 4.22Å; L234-R236 PolarHBondContact O-N 3.05Å; R236-A238 PolarHBondContact O-N 3Å |
| 237 | H | 59.4 | Low | 57.4 | Low | 166 Ų | 166 | 142 Ų | 142 | 77% | 0.769 | 73% | 0.732 | S | S | * | * | | | trans | -66 | 126.9 | 171.9 | -82.1 | -107.5 | 0 | 0 | 0 | 109.4 | K235 S239 | K235-H237 PolarHBondContact O-N 2.97Å; H237-S239 PolarHBondContact O-N 3.33Å; H237-S239 VanDerWaalsContact O-N 3.16Å |
| 238 | A | 60 | Low | 58.3 | Low | 96 Ų | 96 | 140.8 Ų | 140.8 | 79% | 0.793 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | 31.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R236 | R236-A238 PolarHBondContact O-N 3Š|
| 239 | S | 65.2 | Low | 58.3 | Low | 86 Ų | 86 | 139.6 Ų | 139.6 | 60% | 0.601 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -19.1 | -176.9 | 44.3 | 0 | 0 | 0 | 0 | 114 | H237 T241 | H237-S239 PolarHBondContact O-N 3.33Å; H237-S239 VanDerWaalsContact O-N 3.16Å; S239-T241 PolarHBondContact O-N 2.88Å |
| 240 | D | 59.2 | Low | 58.6 | Low | 139 Ų | 139 | 135.2 Ų | 135.2 | 74% | 0.743 | 72% | 0.719 | S | S | * | * | | | trans | -78.1 | 68.1 | 171.9 | -81.1 | -14.8 | 0 | 0 | 0 | 111.2 | | |
| 241 | T | 61.4 | Low | 58.3 | Low | 74 Ų | 74 | 134.3 Ų | 134.3 | 45% | 0.454 | 72% | 0.72 | S | S | . | * | | | trans | -78.9 | 135.9 | 168 | -53 | 0 | 0 | 0 | 0 | 108.8 | S239 F243 S244 | S239-T241 PolarHBondContact O-N 2.88Å; T241-F243 HydrophobicContact CG2-CD2 3.61Å; T241-F243 HydrophobicContact CG2-CE2 4.31Å; T241-F243 PolarHBondContact O-N 2.93Å; T241-S244 WeakPolarHBondContact O-CB 3.39Å; T241-S244 PolarHBondContact O-N 3.07Å; T241-S244 PolarHBondContact O-OG 2.97Å |
| 242 | V | 63.6 | Low | 58.4 | Low | 108 Ų | 108 | 127.5 Ų | 127.5 | 66% | 0.655 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -53.7 | -29.6 | -174.1 | -173.5 | 0 | 0 | 0 | 0 | 113 | S244 R245 | V242-S244 VanDerWaalsContact C-N 3.29Å; V242-S244 PolarHBondContact O-N 3.48Å; V242-R245 PolarHBondContact O-N 3.02Å |
| 243 | F | 63.8 | Low | 57.8 | Low | 153 Ų | 153 | 129.5 Ų | 129.5 | 67% | 0.671 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -61.7 | -29 | 176.9 | -60.2 | -65.2 | 0 | 0 | 0 | 114.4 | T241 R245 L246 | T241-F243 HydrophobicContact CG2-CD2 3.61Å; T241-F243 HydrophobicContact CG2-CE2 4.31Å; T241-F243 PolarHBondContact O-N 2.93Å; F243-R245 PolarHBondContact O-N 3.34Å; F243-R245 VanDerWaalsContact O-N 3.11Å; F243-L246 HydrophobicContact CD1-CD1 4.24Å; F243-L246 PolarHBondContact O-N 3.43Å |
| 244 | S | 61.7 | Low | 57.9 | Low | 68 Ų | 68 | 132.8 Ų | 132.8 | 48% | 0.476 | 72% | 0.716 | S | S | . | * | G | 310 helix | trans | -63.2 | -17.9 | 177.4 | -49.9 | 0 | 0 | 0 | 0 | 113.3 | T241 V242 | T241-S244 WeakPolarHBondContact O-CB 3.39Å; T241-S244 PolarHBondContact O-N 3.07Å; T241-S244 PolarHBondContact O-OG 2.97Å; V242-S244 VanDerWaalsContact C-N 3.29Å; V242-S244 PolarHBondContact O-N 3.48Å |
| 245 | R | 61.9 | Low | 57.4 | Low | 194 Ų | 194 | 130.7 Ų | 130.7 | 73% | 0.732 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -89.6 | -5.5 | 177.4 | -60 | -176.3 | 178.7 | -170.5 | -2 | 113.7 | V242 F243 | V242-R245 PolarHBondContact O-N 3.02Å; F243-R245 PolarHBondContact O-N 3.34Å; F243-R245 VanDerWaalsContact O-N 3.11Å |
| 246 | L | 65.4 | Low | 56.7 | Low | 138 Ų | 138 | 129.2 Ų | 129.2 | 72% | 0.723 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -103.1 | -7.9 | -175.7 | -63.1 | 175.6 | 0 | 0 | 0 | 113.3 | F243 | F243-L246 HydrophobicContact CD1-CD1 4.24Å; F243-L246 PolarHBondContact O-N 3.43Å |
| 247 | S | 59.9 | Low | 56.4 | Low | 93 Ų | 93 | 126.6 Ų | 126.6 | 65% | 0.65 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -104.5 | 5.9 | -173.8 | 57.6 | 0 | 0 | 0 | 0 | 114.9 | | |
| 248 | T | 61.5 | Low | 55.7 | Low | 103 Ų | 103 | 127.8 Ų | 127.8 | 63% | 0.632 | 72% | 0.722 | S | S | * | * | | | trans | -93.1 | 115.8 | 177.8 | 51.1 | 0 | 0 | 0 | 0 | 111 | S250 | T248-S250 PolarHBondContact O-N 3.06Š|
| 249 | P | 55.7 | Low | 55.7 | Low | 113 Ų | 113 | 129.5 Ų | 129.5 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | | | trans | -69.4 | 119.4 | 173.4 | 28.8 | -32.7 | 0 | 0 | 0 | 109.7 | T251 | P249-T251 PolarHBondContact O-N 3.48Š|
| 250 | S | 50.2 | Low | 55.1 | Low | 118 Ų | 118 | 130.3 Ų | 130.3 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | | | trans | -78.9 | 80.5 | -175.8 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | T248 T252 | T248-S250 PolarHBondContact O-N 3.06Å; S250-T252 PolarHBondContact O-N 3.29Å; S250-T252 VanDerWaalsContact O-N 3.08Å |
| 251 | T | 47 | Very low | 55 | Low | 128 Ų | 128 | 132.6 Ų | 132.6 | 79% | 0.785 | 72% | 0.723 | S | S | * | * | | | trans | -77.3 | 83.2 | 172.9 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | P249 | P249-T251 PolarHBondContact O-N 3.48Š|
| 252 | T | 51.8 | Low | 54.6 | Low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.693 | 74% | 0.744 | S | S | * | * | | | trans | -141.9 | 90.3 | 160.2 | -40 | 0 | 0 | 0 | 0 | 110.4 | S250 Q254 | S250-T252 PolarHBondContact O-N 3.29Å; S250-T252 VanDerWaalsContact O-N 3.08Å; T252-Q254 HydrophobicContact CG2-CG 4.5Å |
| 253 | I | 44.7 | Very low | 54.3 | Low | 172 Ų | 172 | 135.9 Ų | 135.9 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | | | trans | -78.2 | 116.1 | 163.2 | -63.1 | 166.6 | 0 | 0 | 0 | 106.4 | | |
| 254 | Q | 51.9 | Low | 54 | Low | 183 Ų | 183 | 135.5 Ų | 135.5 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | | | trans | -135.8 | 156.2 | 159.3 | -80.6 | -156.9 | -10.6 | 0 | 0 | 111 | T252 | T252-Q254 HydrophobicContact CG2-CG 4.5Š|
| 255 | S | 46.2 | Very low | 53.7 | Low | 100 Ų | 100 | 140.7 Ų | 140.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | | | trans | -94.5 | 153.9 | -147.9 | 49.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 256 | N | 43.2 | Very low | 53.5 | Low | 156 Ų | 156 | 140.7 Ų | 140.7 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | | | trans | 44.1 | 95.9 | 143.1 | -59.7 | -18.7 | 0 | 0 | 0 | 117.3 | | |
| 257 | D | 50.2 | Low | 53.2 | Low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | | | trans | -138.9 | 109.9 | 141.9 | -133 | -15.8 | 0 | 0 | 0 | 110.2 | L259 | D257-L259 PolarHBondContact O-N 2.92Š|
| 258 | Q | 46 | Very low | 52.8 | Low | 191 Ų | 191 | 144.5 Ų | 144.5 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | | | trans | -92.8 | 80.6 | -164.4 | -173.1 | -179 | 10.8 | 0 | 0 | 111 | S260 | Q258-S260 PolarHBondContact O-N 3.26Š|
| 259 | L | 59.7 | Low | 52.6 | Low | 132 Ų | 132 | 150.6 Ų | 150.6 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | -80.4 | 109.2 | 176.1 | -67.3 | 174.9 | 0 | 0 | 0 | 111.6 | D257 Y261 | D257-L259 PolarHBondContact O-N 2.92Å; L259-Y261 HydrophobicContact CB-CE2 4.47Å; L259-Y261 WeakPolarHBondContact O-CD2 3.11Å; L259-Y261 PolarHBondContact O-N 2.89Å |
| 260 | S | 53.1 | Low | 52.3 | Low | 103 Ų | 103 | 151.3 Ų | 151.3 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | | | trans | -76.2 | 103.7 | -179.3 | 49.7 | 0 | 0 | 0 | 0 | 112.4 | Q258 Q262 | Q258-S260 PolarHBondContact O-N 3.26Å; S260-Q262 PolarHBondContact O-N 3.29Å |
| 261 | Y | 55.3 | Low | 52.6 | Low | 188 Ų | 188 | 153 Ų | 153 | 74% | 0.737 | 79% | 0.794 | S | S | * | * | | | trans | -78 | 55.9 | 175.9 | -80 | -80.8 | 0 | 0 | 0 | 113.4 | L259 I264 | L259-Y261 HydrophobicContact CB-CE2 4.47Å; L259-Y261 WeakPolarHBondContact O-CD2 3.11Å; L259-Y261 PolarHBondContact O-N 2.89Å; Y261-I264 HydrophobicContact CD1-CD1 3.91Å; Y261-I264 HydrophobicContact CE1-CD1 4.25Å |
| 262 | Q | 54.4 | Low | 53.2 | Low | 190 Ų | 190 | 152 Ų | 152 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | | | trans | -103.2 | 82 | -178.4 | -159 | 150.7 | 9 | 0 | 0 | 110.9 | S260 | S260-Q262 PolarHBondContact O-N 3.29Š|
| 263 | G | 57.6 | Low | 53.4 | Low | 61 Ų | 61 | 151.6 Ų | 151.6 | 63% | 0.629 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 170 | -17.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | L265 | G263-L265 PolarHBondContact O-N 3.04Š|
| 264 | I | 56.9 | Low | 53.7 | Low | 145 Ų | 145 | 152.3 Ų | 152.3 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | | | trans | -86.7 | 0.1 | -162.2 | -35.4 | -176.2 | 0 | 0 | 0 | 114.1 | Y261 K266 | Y261-I264 HydrophobicContact CD1-CD1 3.91Å; Y261-I264 HydrophobicContact CE1-CD1 4.25Å; I264-K266 PolarHBondContact O-N 3.48Å |
| 265 | L | 54.7 | Low | 53.8 | Low | 177 Ų | 177 | 152.4 Ų | 152.4 | 93% | 0.927 | 78% | 0.784 | S | S | * | * | | | trans | -98.3 | 79.8 | 176.4 | -85.8 | 136.6 | 0 | 0 | 0 | 112.2 | G263 | G263-L265 PolarHBondContact O-N 3.04Š|
| 266 | K | 59 | Low | 54.2 | Low | 194 Ų | 194 | 154.7 Ų | 154.7 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | | | trans | -127 | 93.2 | 165.2 | -77.2 | -167.1 | 176.2 | 178.7 | 0 | 113.4 | I264 | I264-K266 PolarHBondContact O-N 3.48Š|
| 267 | K | 57.8 | Low | 54.2 | Low | 201 Ų | 201 | 154.9 Ų | 154.9 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | | | trans | 54.2 | 103.9 | 148 | -54 | -165.7 | 179 | -170.7 | 0 | 118.4 | R269 | K267-R269 PolarHBondContact O-N 3.15Å; K267-R269 VanDerWaalsContact O-N 3.08Å |
| 268 | S | 51.7 | Low | 54 | Low | 109 Ų | 109 | 156.1 Ų | 156.1 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -67.5 | 97.4 | 157.2 | 52.1 | 0 | 0 | 0 | 0 | 110.8 | T270 | S268-T270 PolarHBondContact O-N 3.24Š|
| 269 | R | 58.3 | Low | 54 | Low | 231 Ų | 231 | 151.6 Ų | 151.6 | 87% | 0.872 | 78% | 0.78 | S | S | * | * | | | trans | -77.8 | 82.9 | 173.5 | -174.7 | 176.5 | 179.8 | 163.3 | -0.2 | 110.4 | K267 Q271 | K267-R269 PolarHBondContact O-N 3.15Å; K267-R269 VanDerWaalsContact O-N 3.08Å; R269-Q271 PolarHBondContact O-N 3.12Å |
| 270 | T | 47.9 | Very low | 53.4 | Low | 129 Ų | 129 | 153.9 Ų | 153.9 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -86.8 | 96.2 | 170.9 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | S268 | S268-T270 PolarHBondContact O-N 3.24Š|
| 271 | Q | 58 | Low | 53.1 | Low | 153 Ų | 153 | 153.7 Ų | 153.7 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | | | trans | -130.8 | 131.1 | 156.7 | -121.1 | -165.5 | -3.9 | 0 | 0 | 108.5 | R269 | R269-Q271 PolarHBondContact O-N 3.12Š|
| 272 | P | 59 | Low | 52.6 | Low | 106 Ų | 106 | 150.4 Ų | 150.4 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 145.9 | 171 | 31 | -33.6 | 0 | 0 | 0 | 109.6 | K274 | P272-K274 PolarHBondContact O-N 3Š|
| 273 | P | 55.8 | Low | 52.1 | Low | 106 Ų | 106 | 147.6 Ų | 147.6 | 69% | 0.688 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -65 | 122.2 | 170.8 | 28 | -32.4 | 0 | 0 | 0 | 109 | F275 | P273-F275 HydrophobicContact CG-CE2 4.35Å; P273-F275 PolarHBondContact O-N 3.12Å |
| 274 | K | 50.1 | Low | 51.4 | Low | 186 Ų | 186 | 149.8 Ų | 149.8 | 81% | 0.809 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 116.7 | 161.8 | -68.7 | -175.5 | 176 | -172.7 | 0 | 106.9 | P272 | P272-K274 PolarHBondContact O-N 3Š|
| 275 | F | 55.6 | Low | 51 | Low | 185 Ų | 185 | 149.9 Ų | 149.9 | 81% | 0.811 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 125.8 | 161.2 | -77.8 | -89.1 | 0 | 0 | 0 | 107.3 | P273 | P273-F275 HydrophobicContact CG-CE2 4.35Å; P273-F275 PolarHBondContact O-N 3.12Å |
| 276 | N | 54.9 | Low | 50.3 | Low | 148 Ų | 148 | 148.2 Ų | 148.2 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 123.6 | 167.9 | -69.2 | -13.4 | 0 | 0 | 0 | 107.1 | E278 | N276-E278 PolarHBondContact O-N 3.06Š|
| 277 | D | 42.5 | Very low | 49.5 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | | | trans | -71.9 | 103.9 | 165.2 | -66.6 | -60.5 | 0 | 0 | 0 | 108.9 | | |
| 278 | E | 45.6 | Very low | 49 | Very low | 182 Ų | 182 | 142.9 Ų | 142.9 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | | | trans | -167.4 | 145.8 | 149.1 | -116.2 | -174.6 | 147.6 | 0 | 0 | 114 | N276 | N276-E278 PolarHBondContact O-N 3.06Š|
| 279 | S | 46.9 | Very low | 48.5 | Very low | 97 Ų | 97 | 146 Ų | 146 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | 77.2 | 115.6 | 159.1 | 78.2 | 0 | 0 | 0 | 0 | 120.5 | | |
| 280 | M | 47.5 | Very low | 48.3 | Very low | 179 Ų | 179 | 140.1 Ų | 140.1 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | | | trans | 65.1 | 142 | 147.1 | -51 | -56.7 | 124.5 | 0 | 0 | 118.4 | | |
| 281 | S | 45.6 | Very low | 48.5 | Very low | 100 Ų | 100 | 139.4 Ų | 139.4 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | | | cis | -156.4 | 148.9 | 6.7 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 282 | P | 45.2 | Very low | 47.5 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | -94.3 | 122.6 | 178.8 | 34.6 | -29.6 | 0 | 0 | 0 | 112.9 | | |
| 283 | C | 43.4 | Very low | 47.3 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 88% | 0.878 | 79% | 0.79 | S | S | * | * | | | trans | -140.9 | 114.8 | 165.5 | -99.2 | 0 | 0 | 0 | 0 | 113 | | |
| 284 | S | 42.9 | Very low | 46.9 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | -40.2 | 146.8 | 171.3 | -46.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 285 | L | 48.4 | Very low | 46.6 | Very low | 146 Ų | 146 | 143 Ų | 143 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | | 168.7 | 135.1 | 103.4 | -85.8 | 167.1 | 0 | 0 | 0 | 112.5 | | |
| 286 | N | 40.9 | Very low | 46.2 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | | | trans | 28.5 | 129.7 | 138.5 | -52.4 | -6.8 | 0 | 0 | 0 | 118 | | |
| 287 | S | 41.7 | Very low | 46 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | | | cis | -178.6 | 173.6 | 18.9 | 47.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 288 | F | 46.8 | Very low | 46.4 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | cis | -129.3 | 165.6 | 7.2 | -84.2 | -96 | 0 | 0 | 0 | 110.7 | | |
| 289 | L | 41.3 | Very low | 46.5 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -100.3 | 135.5 | 154.9 | -110.7 | 65.6 | 0 | 0 | 0 | 108.6 | | |
| 290 | S | 55.1 | Low | 46.7 | Very low | 109 Ų | 109 | 138.4 Ų | 138.4 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | | | trans | -124.6 | 138.3 | 159 | 55.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 291 | P | 50.9 | Low | 47.1 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | | | trans | -80.3 | 152.6 | -167.8 | 31.8 | -35.6 | 0 | 0 | 0 | 112.6 | T293 | P291-T293 PolarHBondContact O-N 3.23Š|
| 292 | Y | 38.4 | Very low | 47.5 | Very low | 235 Ų | 235 | 144.5 Ų | 144.5 | 92% | 0.922 | 81% | 0.806 | S | S | * | * | | | trans | -46.8 | 118.1 | 164.1 | -122.7 | -110.2 | 0 | 0 | 0 | 111 | | |
| 293 | T | 54.6 | Low | 48.2 | Very low | 128 Ų | 128 | 147.1 Ų | 147.1 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -135.3 | 135.5 | 161.7 | 53.2 | 0 | 0 | 0 | 0 | 109.5 | P291 | P291-T293 PolarHBondContact O-N 3.23Š|
| 294 | E | 47.6 | Very low | 49 | Very low | 191 Ų | 191 | 151 Ų | 151 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -77.8 | 134.2 | -175.1 | -62.6 | -178.9 | 127 | 0 | 0 | 111.5 | | |
| 295 | G | 43.5 | Very low | 49.9 | Very low | 73 Ų | 73 | 151.2 Ų | 151.2 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | | | trans | 73 | 67.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 296 | V | 46.6 | Very low | 50.7 | Low | 141 Ų | 141 | 147.6 Ų | 147.6 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | trans | -139.2 | 110 | 140.9 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | G298 | V296-G298 PolarHBondContact O-N 2.88Š|
| 297 | L | 51.3 | Low | 51.6 | Low | 175 Ų | 175 | 146.1 Ų | 146.1 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | | | trans | -82.9 | 104.3 | 173.6 | -159.4 | 80 | 0 | 0 | 0 | 109.5 | | |
| 298 | G | 50.5 | Low | 52.4 | Low | 61 Ų | 61 | 150 Ų | 150 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | | | trans | -57.5 | 136.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.9 | V296 S300 | V296-G298 PolarHBondContact O-N 2.88Å; G298-S300 PolarHBondContact O-N 3.39Å |
| 299 | Q | 46.8 | Very low | 53 | Low | 200 Ų | 200 | 146.9 Ų | 146.9 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | | | trans | -69.8 | 86.7 | -179.6 | -69.2 | -169.5 | -4.1 | 0 | 0 | 111.9 | R301 | Q299-R301 PolarHBondContact O-N 3.47Š|
| 300 | S | 52.1 | Low | 53.9 | Low | 98 Ų | 98 | 149.1 Ų | 149.1 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | | | trans | -70.9 | 120.5 | 166.3 | -174 | 0 | 0 | 0 | 0 | 110.2 | G298 M302 | G298-S300 PolarHBondContact O-N 3.39Å; S300-M302 VanDerWaalsContact C-N 3.26Å; S300-M302 PolarHBondContact O-N 2.85Å |
| 301 | R | 54.8 | Low | 54.1 | Low | 243 Ų | 243 | 150.9 Ų | 150.9 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | | | trans | -70.8 | 70.2 | -173.2 | -169.8 | -172.7 | -174.5 | -163.1 | 4.7 | 112.1 | Q299 Q303 | Q299-R301 PolarHBondContact O-N 3.47Å; R301-Q303 PolarHBondContact O-N 3.17Å |
| 302 | M | 54.5 | Low | 54.4 | Low | 164 Ų | 164 | 148.3 Ų | 148.3 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | | | trans | -66.2 | 113.6 | 176.6 | -74.6 | -65.3 | -157.3 | 0 | 0 | 111.2 | S300 K304 | S300-M302 VanDerWaalsContact C-N 3.26Å; S300-M302 PolarHBondContact O-N 2.85Å; M302-K304 PolarHBondContact O-N 3.13Å |
| 303 | Q | 61 | Low | 55.3 | Low | 174 Ų | 174 | 144.4 Ų | 144.4 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | -61.5 | 133.5 | 172.4 | -69.7 | 177.1 | -18.2 | 0 | 0 | 110.2 | R301 V305 | R301-Q303 PolarHBondContact O-N 3.17Å; Q303-V305 VanDerWaalsContact C-N 3.34Å; Q303-V305 PolarHBondContact O-N 3.38Å |
| 304 | K | 59.8 | Low | 55.3 | Low | 213 Ų | 213 | 150.2 Ų | 150.2 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | | | trans | -71 | 84.5 | 178.8 | -68.7 | -178.9 | 179.5 | 177.5 | 0 | 110.8 | M302 S306 | M302-K304 PolarHBondContact O-N 3.13Å; K304-S306 PolarHBondContact O-N 3.41Å |
| 305 | V | 61 | Low | 55.7 | Low | 111 Ų | 111 | 149.3 Ų | 149.3 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | | | trans | -70.1 | 111 | 172.5 | -168.6 | 0 | 0 | 0 | 0 | 108.9 | Q303 V307 | Q303-V305 VanDerWaalsContact C-N 3.34Å; Q303-V305 PolarHBondContact O-N 3.38Å; V305-V307 PolarHBondContact O-N 3.08Å |
| 306 | S | 64.6 | Low | 55.9 | Low | 70 Ų | 70 | 149.5 Ų | 149.5 | 49% | 0.49 | 78% | 0.778 | S | S | . | * | | | trans | -57.5 | 133.5 | 179.1 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | K304 K308 N309 | K304-S306 PolarHBondContact O-N 3.41Å; S306-K308 PolarHBondContact O-N 3.48Å; S306-K308 PolarHBondContact OG-N 3Å; S306-N309 PolarHBondContact O-N 3.42Å |
| 307 | V | 60.1 | Low | 56.3 | Low | 111 Ų | 111 | 152.7 Ų | 152.7 | 67% | 0.673 | 78% | 0.78 | S | S | * | * | G | 310 helix | trans | -54.3 | -27.1 | 178 | -173.1 | 0 | 0 | 0 | 0 | 111.6 | V305 N309 R310 | V305-V307 PolarHBondContact O-N 3.08Å; V307-N309 PolarHBondContact O-N 3.08Å; V307-N309 VanDerWaalsContact O-N 3.15Å; V307-R310 PolarHBondContact O-N 3.15Å; V307-R310 VanDerWaalsContact O-N 3.08Å |
| 308 | K | 58.9 | Low | 56.5 | Low | 174 Ų | 174 | 149.6 Ų | 149.6 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -61.9 | -18.9 | 177.9 | -153.7 | 160.2 | -175.5 | 174.8 | 0 | 113.8 | S306 | S306-K308 PolarHBondContact O-N 3.48Å; S306-K308 PolarHBondContact OG-N 3Å |
| 309 | N | 59.2 | Low | 56.4 | Low | 127 Ų | 127 | 154.5 Ų | 154.5 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | G | 310 helix | trans | -92.6 | -7.4 | 177.2 | -66.2 | 15.8 | 0 | 0 | 0 | 113.7 | S306 V307 | S306-N309 PolarHBondContact O-N 3.42Å; V307-N309 PolarHBondContact O-N 3.08Å; V307-N309 VanDerWaalsContact O-N 3.15Å |
| 310 | R | 60 | Low | 56.8 | Low | 220 Ų | 220 | 149 Ų | 149 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -17.5 | 175.7 | -68.3 | -177.5 | 77.5 | -171.3 | 6.4 | 113.4 | V307 G312 | V307-R310 PolarHBondContact O-N 3.15Å; V307-R310 VanDerWaalsContact O-N 3.08Å; R310-G312 PolarHBondContact O-N 3.41Å |
| 311 | L | 60.5 | Low | 56.8 | Low | 145 Ų | 145 | 149.6 Ų | 149.6 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -91.9 | 86.5 | 172.9 | -79.5 | 154.1 | 0 | 0 | 0 | 108.6 | N313 | L311-N313 PolarHBondContact O-N 2.96Š|
| 312 | G | 56.4 | Low | 56.9 | Low | 61 Ų | 61 | 144.8 Ų | 144.8 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | | | trans | -52.9 | 136.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113 | R310 R314 | R310-G312 PolarHBondContact O-N 3.41Å; G312-R314 PolarHBondContact O-N 3.26Å |
| 313 | N | 57.3 | Low | 57 | Low | 153 Ų | 153 | 144.8 Ų | 144.8 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | | | trans | -56.8 | 99.6 | -178.6 | -70.9 | -13.9 | 0 | 0 | 0 | 111.2 | L311 Q315 | L311-N313 PolarHBondContact O-N 2.96Å; N313-Q315 PolarHBondContact O-N 3.17Å |
| 314 | R | 54.7 | Low | 56.3 | Low | 249 Ų | 249 | 141.2 Ų | 141.2 | 94% | 0.94 | 76% | 0.764 | S | S | * | * | | | trans | -72.2 | 73.4 | 164.2 | -76.7 | -171.9 | 165.6 | -136.3 | -2.8 | 109.3 | G312 G316 | G312-R314 PolarHBondContact O-N 3.26Å; R314-G316 PolarHBondContact O-N 2.87Å; R314-G316 VanDerWaalsContact O-N 3.13Å |
| 315 | Q | 56.9 | Low | 56 | Low | 173 Ų | 173 | 142.8 Ų | 142.8 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | trans | -56.8 | 117.5 | 163.7 | -81.2 | -171.3 | -21.4 | 0 | 0 | 108.1 | N313 K317 | N313-Q315 PolarHBondContact O-N 3.17Å; Q315-K317 PolarHBondContact O-N 3.48Å; Q315-K317 VanDerWaalsContact O-N 3.17Å |
| 316 | G | 46 | Very low | 55.5 | Low | 77 Ų | 77 | 145.1 Ų | 145.1 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | trans | -64.2 | 115 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | R314 S318 | R314-G316 PolarHBondContact O-N 2.87Å; R314-G316 VanDerWaalsContact O-N 3.13Å; G316-S318 PolarHBondContact O-N 2.81Å |
| 317 | K | 55.8 | Low | 54.9 | Low | 208 Ų | 208 | 145.2 Ų | 145.2 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -68 | 126.3 | 169.3 | -68.3 | -172.1 | 176.7 | -174.6 | 0 | 108 | Q315 | Q315-K317 PolarHBondContact O-N 3.48Å; Q315-K317 VanDerWaalsContact O-N 3.17Å |
| 318 | S | 56.7 | Low | 54.5 | Low | 110 Ų | 110 | 151.3 Ų | 151.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 150.2 | -170.1 | 37.6 | 0 | 0 | 0 | 0 | 113.4 | G316 A320 | G316-S318 PolarHBondContact O-N 2.81Å; S318-A320 PolarHBondContact O-N 3.19Å |
| 319 | N | 47.2 | Very low | 54 | Low | 164 Ų | 164 | 147.5 Ų | 147.5 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 119.9 | 167.5 | -56.4 | -68.1 | 0 | 0 | 0 | 109.3 | | |
| 320 | A | 55.7 | Low | 54.2 | Low | 84 Ų | 84 | 146.7 Ų | 146.7 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 124 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | S318 V322 | S318-A320 PolarHBondContact O-N 3.19Å; A320-V322 PolarHBondContact O-N 3.24Å |
| 321 | P | 50.8 | Low | 53.6 | Low | 110 Ų | 110 | 144.1 Ų | 144.1 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | | | trans | -78.2 | 109 | 176 | 30.6 | -31.4 | 0 | 0 | 0 | 109.6 | H323 | P321-H323 PolarHBondContact O-N 3.32Å; P321-H323 VanDerWaalsContact O-N 3.11Å |
| 322 | V | 58.6 | Low | 53.9 | Low | 143 Ų | 143 | 142.4 Ų | 142.4 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | | | trans | -73.3 | 104.2 | 168.3 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | A320 S324 | A320-V322 PolarHBondContact O-N 3.24Å; V322-S324 PolarHBondContact O-N 3.36Å |
| 323 | H | 55.9 | Low | 53.7 | Low | 163 Ų | 163 | 151.4 Ų | 151.4 | 76% | 0.755 | 83% | 0.833 | S | S | * | * | | | trans | -57.1 | 119.7 | 175.7 | -95.4 | -101.9 | 0 | 0 | 0 | 110.9 | P321 R325 | P321-H323 PolarHBondContact O-N 3.32Å; P321-H323 VanDerWaalsContact O-N 3.11Å; H323-R325 PolarHBondContact O-N 2.87Å |
| 324 | S | 45.6 | Very low | 53.6 | Low | 99 Ų | 99 | 151.4 Ų | 151.4 | 69% | 0.692 | 83% | 0.834 | S | S | * | * | | | trans | -64.5 | 100.7 | 161.2 | 41.5 | 0 | 0 | 0 | 0 | 109.3 | V322 L326 | V322-S324 PolarHBondContact O-N 3.36Å; S324-L326 PolarHBondContact O-N 3.24Å |
| 325 | R | 54.3 | Low | 53.5 | Low | 247 Ų | 247 | 146.2 Ų | 146.2 | 93% | 0.932 | 83% | 0.828 | S | S | * | * | | | trans | -69.7 | 96.5 | 167.9 | -89 | -172.7 | 168.9 | -173.1 | -3.1 | 109.4 | H323 | H323-R325 PolarHBondContact O-N 2.87Š|
| 326 | L | 50 | Low | 53.3 | Low | 160 Ų | 160 | 144.7 Ų | 144.7 | 84% | 0.838 | 83% | 0.829 | S | S | * | * | | | trans | -66.5 | 128.2 | 155.1 | -81.2 | 90.9 | 0 | 0 | 0 | 109.3 | S324 | S324-L326 PolarHBondContact O-N 3.24Š|
| 327 | G | 52.7 | Low | 53.7 | Low | 72 Ų | 72 | 148.7 Ų | 148.7 | 74% | 0.742 | 83% | 0.831 | S | S | * | * | | | trans | -151 | 89.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 105.2 | | |
| 328 | R | 51.9 | Low | 53.6 | Low | 239 Ų | 239 | 145 Ų | 145 | 90% | 0.902 | 83% | 0.827 | S | S | * | * | | | | 62.5 | 79.2 | 71.2 | -159.4 | -179.1 | -170 | -158.1 | 1.3 | 112.5 | | |
| 329 | A | 48.6 | Very low | 53.4 | Low | 94 Ų | 94 | 147.3 Ų | 147.3 | 78% | 0.777 | 83% | 0.831 | S | S | * | * | | | trans | 42.9 | 116.8 | 134.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 330 | S | 62.7 | Low | 53.9 | Low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | | | | -164.2 | 107.5 | 129.9 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | | |
| 331 | N | 47.4 | Very low | 53.7 | Low | 167 Ų | 167 | 150.9 Ų | 150.9 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | | | trans | -88.5 | 145.6 | 145.4 | -82.5 | 4.4 | 0 | 0 | 0 | 106.8 | | |
| 332 | P | 65.8 | Low | 54 | Low | 109 Ų | 109 | 154.3 Ų | 154.3 | 71% | 0.708 | 85% | 0.848 | S | S | * | * | | | | -141 | 148.1 | 119.7 | 36.1 | -23.6 | 0 | 0 | 0 | 114.1 | | |
| 333 | L | 54.1 | Low | 53.5 | Low | 250 Ų | 250 | 155.4 Ų | 155.4 | 100% | 1.309 | 85% | 0.846 | S | S | * | * | | | trans | 56.1 | 0 | 170.5 | -80.4 | 80.9 | 0 | 0 | 0 | 117.4 | | |