| 1 | N | 86 | Confident | 93.2 | Very high | 144 Ų | 144 | 103.6 Ų | 103.6 | 77% | 0.77 | 55% | 0.551 | S | S | * | * | | | | 0 | 115.6 | 0 | -177.4 | -33.1 | 0 | 0 | 0 | 108 | L3 T4 Q5 | N1-L3 WeakPolarHBondContact OD1-CB 3.39Å; N1-L3 PolarHBondContact OD1-N 3.39Å; N1-T4 WeakPolarHBondContact CB-OG1 3.4Å; N1-T4 PolarHBondContact ND2-OG1 3.25Å; N1-T4 PolarHBondContact OD1-N 2.94Å; N1-T4 VanDerWaalsContact OD1-N 3.11Å; N1-T4 PolarHBondContact OD1-OG1 3.27Å; N1-Q5 PolarHBondContact O-N 2.78Å |
| 2 | L | 96 | Very high | 92.7 | Very high | 128 Ų | 128 | 103.8 Ų | 103.8 | 67% | 0.67 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -68.8 | -37.8 | -177.3 | 177.7 | 62.3 | 0 | 0 | 0 | 112.2 | T4 Q5 Q6 | L2-T4 VanDerWaalsContact C-N 3.35Å; L2-T4 PolarHBondContact O-N 3.18Å; L2-Q5 WeakPolarHBondContact O-CB 3.37Å; L2-Q5 PolarHBondContact O-N 2.97Å; L2-Q6 WeakPolarHBondContact O-CG 3.47Å; L2-Q6 PolarHBondContact O-N 2.93Å |
| 3 | L | 96.6 | Very high | 92 | Very high | 113 Ų | 113 | 100.2 Ų | 100.2 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 177.1 | 179.9 | 66.9 | 0 | 0 | 0 | 111.2 | N1 Q5 Q6 V7 | N1-L3 WeakPolarHBondContact OD1-CB 3.39Å; N1-L3 PolarHBondContact OD1-N 3.39Å; L3-Q5 PolarHBondContact O-N 3.06Å; L3-Q6 PolarHBondContact O-N 3.07Å; L3-V7 WeakPolarHBondContact O-CG2 3.47Å; L3-V7 PolarHBondContact O-N 3.12Å |
| 4 | T | 94.8 | Very high | 91 | Very high | 77 Ų | 77 | 98 Ų | 98 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 175.2 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | N1 L2 Q6 V7 T8 | N1-T4 WeakPolarHBondContact CB-OG1 3.4Å; N1-T4 PolarHBondContact ND2-OG1 3.25Å; N1-T4 PolarHBondContact OD1-N 2.94Å; N1-T4 VanDerWaalsContact OD1-N 3.11Å; N1-T4 PolarHBondContact OD1-OG1 3.27Å; L2-T4 VanDerWaalsContact C-N 3.35Å; L2-T4 PolarHBondContact O-N 3.18Å; T4-Q6 VanDerWaalsContact C-N 3.32Å; T4-Q6 PolarHBondContact O-N 2.98Å; T4-V7 PolarHBondContact O-N 3.39Å; T4-T8 WeakPolarHBondContact O-CB 3.2Å; T4-T8 PolarHBondContact O-N 2.95Å; T4-T8 PolarHBondContact O-OG1 2.99Å; T4-T8 VanDerWaalsContact O-OG1 3.06Å |
| 5 | Q | 96.3 | Very high | 89.5 | Confident | 122 Ų | 122 | 93.5 Ų | 93.5 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.5 | -40.5 | 176.3 | -75.7 | -94.4 | 84.9 | 0 | 0 | 112 | N1 L2 L3 T8 N9 | N1-Q5 PolarHBondContact O-N 2.78Å; L2-Q5 WeakPolarHBondContact O-CB 3.37Å; L2-Q5 PolarHBondContact O-N 2.97Å; L3-Q5 PolarHBondContact O-N 3.06Å; Q5-T8 PolarHBondContact O-N 2.99Å; Q5-N9 WeakPolarHBondContact O-CB 3.45Å; Q5-N9 VanDerWaalsContact O-CG 3.31Å; Q5-N9 PolarHBondContact O-N 3.16Å; Q5-N9 PolarHBondContact O-ND2 3.48Å |
| 6 | Q | 94.9 | Very high | 87.8 | Confident | 108 Ų | 108 | 94.9 Ų | 94.9 | 51% | 0.505 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -46 | 178.1 | -70.8 | 178.9 | 31.5 | 0 | 0 | 112 | L2 L3 T4 T8 N9 L10 | L2-Q6 WeakPolarHBondContact O-CG 3.47Å; L2-Q6 PolarHBondContact O-N 2.93Å; L3-Q6 PolarHBondContact O-N 3.07Å; T4-Q6 VanDerWaalsContact C-N 3.32Å; T4-Q6 PolarHBondContact O-N 2.98Å; Q6-T8 VanDerWaalsContact C-N 3.34Å; Q6-T8 PolarHBondContact O-N 2.96Å; Q6-N9 PolarHBondContact O-N 2.69Å; Q6-L10 WeakPolarHBondContact O-CB 3.39Å; Q6-L10 PolarHBondContact O-N 2.85Å |
| 7 | V | 94.4 | Very high | 86.1 | Confident | 74 Ų | 74 | 97.1 Ų | 97.1 | 45% | 0.448 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 178.3 | 174 | 0 | 0 | 0 | 0 | 110.8 | L3 T4 L10 N11 | L3-V7 WeakPolarHBondContact O-CG2 3.47Å; L3-V7 PolarHBondContact O-N 3.12Å; T4-V7 PolarHBondContact O-N 3.39Å; V7-L10 PolarHBondContact O-N 3.36Å; V7-N11 WeakPolarHBondContact CG1-ND2 3.35Å; V7-N11 PolarHBondContact O-N 2.98Å; V7-N11 PolarHBondContact O-ND2 2.95Å |
| 8 | T | 93.7 | Very high | 84.5 | Confident | 65 Ų | 65 | 100.1 Ų | 100.1 | 40% | 0.399 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -63.3 | -48.3 | 176.8 | -63.1 | 0 | 0 | 0 | 0 | 111.9 | T4 Q5 Q6 L10 N11 L12 | T4-T8 WeakPolarHBondContact O-CB 3.2Å; T4-T8 PolarHBondContact O-N 2.95Å; T4-T8 PolarHBondContact O-OG1 2.99Å; T4-T8 VanDerWaalsContact O-OG1 3.06Å; Q5-T8 PolarHBondContact O-N 2.99Å; Q6-T8 VanDerWaalsContact C-N 3.34Å; Q6-T8 PolarHBondContact O-N 2.96Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L10 PolarHBondContact O-N 3.45Å; T8-N11 PolarHBondContact O-N 3.21Å; T8-L12 HydrophobicContact CG2-CD1 3.76Å; T8-L12 WeakPolarHBondContact O-CD1 3.38Å; T8-L12 WeakPolarHBondContact O-CG 3.29Å; T8-L12 PolarHBondContact O-N 2.81Å |
| 9 | N | 92.4 | Very high | 83 | Confident | 96 Ų | 96 | 105.2 Ų | 105.2 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.3 | -38.8 | 178.5 | -74.1 | -29.9 | 0 | 0 | 0 | 112.6 | Q5 Q6 L12 A13 | Q5-N9 WeakPolarHBondContact O-CB 3.45Å; Q5-N9 VanDerWaalsContact O-CG 3.31Å; Q5-N9 PolarHBondContact O-N 3.16Å; Q5-N9 PolarHBondContact O-ND2 3.48Å; Q6-N9 PolarHBondContact O-N 2.69Å; N9-L12 PolarHBondContact O-N 3.14Å; N9-A13 WeakPolarHBondContact O-CB 3.4Å; N9-A13 PolarHBondContact O-N 3.17Å |
| 10 | L | 91.8 | Very high | 81.7 | Confident | 113 Ų | 113 | 104.8 Ų | 104.8 | 59% | 0.592 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.3 | -47.3 | 175.1 | -179.3 | 60.3 | 0 | 0 | 0 | 111.4 | Q6 V7 T8 L12 A13 T14 | Q6-L10 WeakPolarHBondContact O-CB 3.39Å; Q6-L10 PolarHBondContact O-N 2.85Å; V7-L10 PolarHBondContact O-N 3.36Å; T8-L10 VanDerWaalsContact C-N 3.33Å; T8-L10 PolarHBondContact O-N 3.45Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.39Å; L10-A13 PolarHBondContact O-N 2.92Å; L10-T14 HydrophobicContact CD1-CG2 4.12Å; L10-T14 VanDerWaalsContact O-CG2 3.29Å; L10-T14 WeakPolarHBondContact O-CG2 3.33Å; L10-T14 PolarHBondContact O-N 3.46Å; L10-T14 PolarHBondContact O-OG1 3.42Å; L10-T14 VanDerWaalsContact O-OG1 3.14Å |
| 11 | N | 88.8 | Confident | 80.6 | Confident | 100 Ų | 100 | 104.9 Ų | 104.9 | 54% | 0.535 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64 | -36 | 178.3 | -78 | -64.2 | 0 | 0 | 0 | 113 | V7 T8 T14 G15 | V7-N11 WeakPolarHBondContact CG1-ND2 3.35Å; V7-N11 PolarHBondContact O-N 2.98Å; V7-N11 PolarHBondContact O-ND2 2.95Å; T8-N11 PolarHBondContact O-N 3.21Å; N11-T14 WeakPolarHBondContact CA-OG1 3.36Å; N11-T14 PolarHBondContact O-OG1 3.41Å; N11-G15 PolarHBondContact O-N 3.02Å |
| 12 | L | 87 | Confident | 79.3 | Confident | 106 Ų | 106 | 102.3 Ų | 102.3 | 56% | 0.555 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.9 | -47.7 | 174.1 | -74.8 | 157 | 0 | 0 | 0 | 110.9 | T8 N9 L10 G15 I16 | T8-L12 HydrophobicContact CG2-CD1 3.76Å; T8-L12 WeakPolarHBondContact O-CD1 3.38Å; T8-L12 WeakPolarHBondContact O-CG 3.29Å; T8-L12 PolarHBondContact O-N 2.81Å; N9-L12 PolarHBondContact O-N 3.14Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-L12 PolarHBondContact O-N 3.39Å; L12-G15 PolarHBondContact O-N 3.26Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.36Å |
| 13 | A | 83.4 | Confident | 77.3 | Confident | 56 Ų | 56 | 101.5 Ų | 101.5 | 46% | 0.463 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.8 | -41.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | N9 L10 I17 | N9-A13 WeakPolarHBondContact O-CB 3.4Å; N9-A13 PolarHBondContact O-N 3.17Å; L10-A13 PolarHBondContact O-N 2.92Å; A13-I17 WeakPolarHBondContact O-CD1 3.44Å; A13-I17 WeakPolarHBondContact O-CG1 3.49Å |
| 14 | T | 78.6 | Confident | 75.6 | Confident | 70 Ų | 70 | 99.6 Ų | 99.6 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.8 | -34.4 | -179.8 | 58.8 | 0 | 0 | 0 | 0 | 112.7 | L10 N11 I16 I17 N18 | L10-T14 HydrophobicContact CD1-CG2 4.12Å; L10-T14 VanDerWaalsContact O-CG2 3.29Å; L10-T14 WeakPolarHBondContact O-CG2 3.33Å; L10-T14 PolarHBondContact O-N 3.46Å; L10-T14 PolarHBondContact O-OG1 3.42Å; L10-T14 VanDerWaalsContact O-OG1 3.14Å; N11-T14 WeakPolarHBondContact CA-OG1 3.36Å; N11-T14 PolarHBondContact O-OG1 3.41Å; T14-I16 VanDerWaalsContact C-N 3.34Å; T14-I16 PolarHBondContact O-N 3.48Å; T14-I17 PolarHBondContact O-N 2.99Å; T14-N18 PolarHBondContact O-N 2.98Å |
| 15 | G | 68.3 | Low | 74 | Confident | 30 Ų | 30 | 100.9 Ų | 100.9 | 31% | 0.309 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -69.5 | -25.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | N11 L12 | N11-G15 PolarHBondContact O-N 3.02Å; L12-G15 PolarHBondContact O-N 3.26Å |
| 16 | I | 61.5 | Low | 72.3 | Confident | 117 Ų | 117 | 100 Ų | 100 | 60% | 0.6 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76.3 | -40.1 | 173.5 | -62.6 | -67.4 | 0 | 0 | 0 | 110.7 | L12 T14 N18 R19 | L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.36Å; T14-I16 VanDerWaalsContact C-N 3.34Å; T14-I16 PolarHBondContact O-N 3.48Å; I16-N18 PolarHBondContact O-N 3.28Å; I16-R19 PolarHBondContact O-N 3.43Å |
| 17 | I | 59.4 | Low | 70.5 | Confident | 132 Ų | 132 | 100.9 Ų | 100.9 | 68% | 0.677 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.6 | -35 | -179.2 | -61.3 | 165.7 | 0 | 0 | 0 | 111.3 | A13 T14 R19 | A13-I17 WeakPolarHBondContact O-CD1 3.44Å; A13-I17 WeakPolarHBondContact O-CG1 3.49Å; T14-I17 PolarHBondContact O-N 2.99Å; I17-R19 VanDerWaalsContact C-N 3.3Å; I17-R19 PolarHBondContact O-N 3.06Å |
| 18 | N | 57.8 | Low | 68.9 | Low | 150 Ų | 150 | 104.6 Ų | 104.6 | 80% | 0.802 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | -4.7 | -178.9 | -163.1 | 56.5 | 0 | 0 | 0 | 114.5 | T14 I16 | T14-N18 PolarHBondContact O-N 2.98Å; I16-N18 PolarHBondContact O-N 3.28Å |
| 19 | R | 55.8 | Low | 67.5 | Low | 198 Ų | 198 | 111.8 Ų | 111.8 | 75% | 0.747 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.7 | -4.2 | -179 | -138.2 | -171.4 | -63.3 | 170.7 | -0.7 | 113.9 | I16 I17 S21 | I16-R19 PolarHBondContact O-N 3.43Å; I17-R19 VanDerWaalsContact C-N 3.3Å; I17-R19 PolarHBondContact O-N 3.06Å; R19-S21 PolarHBondContact O-N 3.47Å |
| 20 | S | 56.9 | Low | 65.8 | Low | 96 Ų | 96 | 112.2 Ų | 112.2 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | | | trans | -76.8 | 61.1 | 165.9 | -59.4 | 0 | 0 | 0 | 0 | 109.8 | A22 | S20-A22 PolarHBondContact O-N 3.42Š|
| 21 | S | 58.8 | Low | 64.2 | Low | 108 Ų | 108 | 115.2 Ų | 115.2 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | | | trans | -59.7 | 105.1 | 160.3 | 41.5 | 0 | 0 | 0 | 0 | 106.5 | R19 S23 | R19-S21 PolarHBondContact O-N 3.47Å; S21-S23 PolarHBondContact O-N 3Å |
| 22 | A | 58.3 | Low | 62.8 | Low | 90 Ų | 90 | 117.2 Ų | 117.2 | 74% | 0.744 | 68% | 0.675 | S | S | * | * | | | trans | -8.1 | 96.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S20 A24 | S20-A22 PolarHBondContact O-N 3.42Å; A22-A24 PolarHBondContact O-N 3.42Å |
| 23 | S | 53.4 | Low | 61 | Low | 110 Ų | 110 | 117 Ų | 117 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | | | trans | -65.8 | 89.9 | 153.9 | -177.7 | 0 | 0 | 0 | 0 | 103.7 | S21 P25 | S21-S23 PolarHBondContact O-N 3Å; S23-P25 WeakPolarHBondContact O-CD 3.39Å |
| 24 | A | 61.7 | Low | 59.5 | Low | 74 Ų | 74 | 120.3 Ų | 120.3 | 61% | 0.612 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 119.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 104.5 | A22 | A22-A24 PolarHBondContact O-N 3.42Š|
| 25 | P | 61.7 | Low | 58.5 | Low | 103 Ų | 103 | 122.1 Ų | 122.1 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 135.5 | 180 | 20.5 | -30.5 | 0 | 0 | 0 | 106.5 | S23 T27 | S23-P25 WeakPolarHBondContact O-CD 3.39Å; P25-T27 PolarHBondContact O-N 3.01Å |
| 26 | P | 59.1 | Low | 58.1 | Low | 104 Ų | 104 | 123.2 Ų | 123.2 | 68% | 0.675 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 121.8 | 179.3 | 20.8 | -31.7 | 0 | 0 | 0 | 106.8 | L28 | P26-L28 PolarHBondContact O-N 2.97Š|
| 27 | T | 57.8 | Low | 57.7 | Low | 126 Ų | 126 | 123.4 Ų | 123.4 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | | | trans | -61.9 | 92 | -176.9 | -42.2 | 0 | 0 | 0 | 0 | 106.9 | P25 R29 | P25-T27 PolarHBondContact O-N 3.01Å; T27-R29 PolarHBondContact O-N 3.48Å |
| 28 | L | 60.8 | Low | 57.8 | Low | 153 Ų | 153 | 123.6 Ų | 123.6 | 80% | 0.801 | 74% | 0.742 | S | S | * | * | | | trans | -65.9 | 96 | 169 | -69.8 | 178.6 | 0 | 0 | 0 | 104.4 | P26 P30 | P26-L28 PolarHBondContact O-N 2.97Å; L28-P30 WeakPolarHBondContact O-CD 3.43Å; L28-P30 VanDerWaalsContact O-N 3.1Å |
| 29 | R | 63.5 | Low | 57.8 | Low | 215 Ų | 215 | 126.7 Ų | 126.7 | 81% | 0.811 | 74% | 0.743 | S | S | * | * | | | trans | -59.3 | 118 | 175.3 | -52.5 | -126.1 | -154.4 | -158.3 | 7.8 | 105.1 | T27 I31 | T27-R29 PolarHBondContact O-N 3.48Å; R29-I31 PolarHBondContact O-N 3.03Å |
| 30 | P | 57.9 | Low | 57.5 | Low | 105 Ų | 105 | 121.8 Ų | 121.8 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | | | trans | -57.6 | 116.8 | 176.6 | -20.8 | 31.8 | 0 | 0 | 0 | 107.5 | L28 I32 | L28-P30 WeakPolarHBondContact O-CD 3.43Å; L28-P30 VanDerWaalsContact O-N 3.1Å; P30-I32 HydrophobicContact CB-CG1 4.26Å; P30-I32 PolarHBondContact O-N 3.38Å |
| 31 | I | 57.3 | Low | 57.6 | Low | 177 Ų | 177 | 123.5 Ų | 123.5 | 91% | 0.908 | 75% | 0.746 | S | S | * | * | | | trans | -78.5 | 52.3 | 166 | -50.9 | 170.7 | 0 | 0 | 0 | 106.5 | R29 | R29-I31 PolarHBondContact O-N 3.03Š|
| 32 | I | 60.8 | Low | 57.2 | Low | 142 Ų | 142 | 126.8 Ų | 126.8 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | trans | -125.7 | 107.1 | 175.8 | -41.6 | 178.6 | 0 | 0 | 0 | 105.4 | P30 | P30-I32 HydrophobicContact CB-CG1 4.26Å; P30-I32 PolarHBondContact O-N 3.38Å |
| 33 | S | 49 | Very low | 57 | Low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | -54 | 166.4 | 177.7 | -134 | 0 | 0 | 0 | 0 | 112 | S35 | S33-S35 PolarHBondContact O-N 3.28Š|
| 34 | P | 51.8 | Low | 56.8 | Low | 124 Ų | 124 | 127.7 Ų | 127.7 | 81% | 0.805 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -69.2 | 10.8 | -132.7 | 32.2 | -40.4 | 0 | 0 | 0 | 118 | G36 | P34-G36 PolarHBondContact O-N 3.18Š|
| 35 | S | 57.6 | Low | 56.8 | Low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -89.2 | 92.3 | 174.2 | -48.4 | 0 | 0 | 0 | 0 | 107.4 | S33 | S33-S35 PolarHBondContact O-N 3.28Š|
| 36 | G | 58.8 | Low | 56.4 | Low | 53 Ų | 53 | 132.1 Ų | 132.1 | 55% | 0.546 | 75% | 0.75 | S | S | . | * | | | trans | -51.9 | 171.4 | -164.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | P34 T38 | P34-G36 PolarHBondContact O-N 3.18Å; G36-T38 PolarHBondContact O-N 3.35Å |
| 37 | P | 53.7 | Low | 56.2 | Low | 121 Ų | 121 | 131.8 Ų | 131.8 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | | | trans | -56.9 | 129.2 | 179.9 | 22.7 | -31 | 0 | 0 | 0 | 110.5 | W39 | P37-W39 PolarHBondContact O-N 2.77Š|
| 38 | T | 61.7 | Low | 55.7 | Low | 135 Ų | 135 | 131.6 Ų | 131.6 | 83% | 0.828 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -68.4 | 8.8 | -178.8 | 43.8 | 0 | 0 | 0 | 0 | 114.4 | G36 | G36-T38 PolarHBondContact O-N 3.35Š|
| 39 | W | 57.2 | Low | 55.5 | Low | 215 Ų | 215 | 132.6 Ų | 132.6 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | | | trans | -112.6 | 124.8 | -173.8 | -68 | 88.4 | 0 | 0 | 0 | 111.8 | P37 | P37-W39 PolarHBondContact O-N 2.77Š|
| 40 | S | 50.1 | Low | 55.1 | Low | 95 Ų | 95 | 128.8 Ų | 128.8 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | | | trans | 80.3 | 78.7 | 154.6 | -55.7 | 0 | 0 | 0 | 0 | 116.1 | Q42 | S40-Q42 PolarHBondContact O-N 3.42Š|
| 41 | T | 59 | Low | 54.9 | Low | 132 Ų | 132 | 131.9 Ų | 131.9 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | | | | 19.8 | 91.1 | 124.9 | 26.8 | 0 | 0 | 0 | 0 | 114.7 | S43 | T41-S43 PolarHBondContact O-N 3.4Š|
| 42 | Q | 49.9 | Very low | 54.7 | Low | 178 Ų | 178 | 128.9 Ų | 128.9 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | | | trans | -59.7 | 99.9 | 147.5 | -175.9 | 175.3 | -73.8 | 0 | 0 | 105.4 | S40 D44 | S40-Q42 PolarHBondContact O-N 3.42Å; Q42-D44 PolarHBondContact O-N 3.11Å; Q42-D44 VanDerWaalsContact O-N 3.12Å |
| 43 | S | 53.4 | Low | 54.1 | Low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | | | trans | -56.4 | 119.7 | 162.1 | -85.8 | 0 | 0 | 0 | 0 | 106.1 | T41 | T41-S43 PolarHBondContact O-N 3.4Š|
| 44 | D | 51.1 | Low | 54.3 | Low | 111 Ų | 111 | 127.8 Ų | 127.8 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | | | trans | -53.2 | 130.3 | 173.4 | -177 | -104.2 | 0 | 0 | 0 | 109.5 | Q42 Q46 | Q42-D44 PolarHBondContact O-N 3.11Å; Q42-D44 VanDerWaalsContact O-N 3.12Å; D44-Q46 PolarHBondContact O-N 3.49Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.36Å; D44-Q46 PolarHBondContact OD1-N 2.97Å |
| 45 | P | 60.5 | Low | 54.4 | Low | 109 Ų | 109 | 128.1 Ų | 128.1 | 71% | 0.708 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -83.6 | 61.5 | 173.8 | 35.7 | -32.1 | 0 | 0 | 0 | 109.1 | | |
| 46 | Q | 53.5 | Low | 53.8 | Low | 160 Ų | 160 | 125.9 Ų | 125.9 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -160.1 | 113.9 | 165.8 | -112.4 | 163.1 | -27.2 | 0 | 0 | 111.8 | D44 P48 | D44-Q46 PolarHBondContact O-N 3.49Å; D44-Q46 WeakPolarHBondContact OD1-CB 3.36Å; D44-Q46 PolarHBondContact OD1-N 2.97Å; Q46-P48 WeakPolarHBondContact O-CD 3.48Å |
| 47 | A | 55.4 | Low | 53.6 | Low | 97 Ų | 97 | 129 Ų | 129 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | | | trans | -57.2 | 133.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 48 | P | 47.1 | Very low | 53.7 | Low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 76% | 0.759 | S | S | * | * | | | trans | -97 | 103.1 | 151.3 | 2.5 | 18.9 | 0 | 0 | 0 | 107.7 | Q46 | Q46-P48 WeakPolarHBondContact O-CD 3.48Š|
| 49 | E | 56.8 | Low | 52.4 | Low | 174 Ų | 174 | 130.3 Ų | 130.3 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | -9.3 | 134.5 | 147.7 | -51.9 | 175 | 94.7 | 0 | 0 | 115.7 | | |
| 50 | N | 54.4 | Low | 52 | Low | 134 Ų | 134 | 132 Ų | 132 | 72% | 0.717 | 78% | 0.783 | S | S | * | * | | | trans | 47.6 | 123.5 | 161.8 | -91.2 | -83.9 | 0 | 0 | 0 | 115.8 | | |
| 51 | H | 52.8 | Low | 52.1 | Low | 171 Ų | 171 | 133.9 Ų | 133.9 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | | -171.6 | 121.8 | 78.2 | -82.8 | -84 | 0 | 0 | 0 | 107.3 | S53 | H51-S53 PolarHBondContact O-N 3.49Š|
| 52 | S | 55.1 | Low | 51.7 | Low | 114 Ų | 114 | 134 Ų | 134 | 80% | 0.797 | 79% | 0.788 | S | S | * | * | | | trans | -55.3 | 126.4 | 160.1 | 175.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 53 | S | 46.9 | Very low | 51.8 | Low | 113 Ų | 113 | 131.6 Ų | 131.6 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | | | trans | -167 | 99.2 | 148.7 | -78.5 | 0 | 0 | 0 | 0 | 109.2 | H51 | H51-S53 PolarHBondContact O-N 3.49Š|
| 54 | S | 54.1 | Low | 51.7 | Low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | | | trans | -59.7 | 133.4 | 165.2 | 175.9 | 0 | 0 | 0 | 0 | 109.7 | G56 | S54-G56 VanDerWaalsContact C-N 3.29Å; S54-G56 PolarHBondContact O-N 3.06Å |
| 55 | P | 53.2 | Low | 51.7 | Low | 130 Ų | 130 | 134.3 Ų | 134.3 | 84% | 0.844 | 80% | 0.8 | S | S | * | * | | | trans | -77.4 | 83.5 | 171.4 | 30.6 | -29.6 | 0 | 0 | 0 | 109 | | |
| 56 | G | 44.2 | Very low | 51.2 | Low | 62 Ų | 62 | 136 Ų | 136 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | | | trans | -105.9 | 97.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S54 | S54-G56 VanDerWaalsContact C-N 3.29Å; S54-G56 PolarHBondContact O-N 3.06Å |
| 57 | S | 55.1 | Low | 51 | Low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | | | trans | 49.9 | 115.4 | 143.9 | -156.7 | 0 | 0 | 0 | 0 | 119.8 | | |
| 58 | S | 55.4 | Low | 50.7 | Low | 88 Ų | 88 | 137.2 Ų | 137.2 | 62% | 0.615 | 81% | 0.811 | S | S | * | * | | | trans | -57.4 | 153.5 | 164.2 | 55.7 | 0 | 0 | 0 | 0 | 115.5 | | |
| 59 | F | 35 | Very low | 51 | Low | 196 Ų | 196 | 138.3 Ų | 138.3 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | | | trans | 72.3 | 107.2 | 161 | -62.5 | -80.2 | 0 | 0 | 0 | 119.2 | | |
| 60 | I | 48.5 | Very low | 50.4 | Low | 252 Ų | 252 | 135.1 Ų | 135.1 | 100% | 1.292 | 81% | 0.812 | S | S | * | * | | | | -162.4 | 0 | 117.9 | 31.4 | 174.9 | 0 | 0 | 0 | 110 | | |