| 1 | M | 58.8 | Low | 75.2 | Confident | 229 Ų | 229 | 123.7 Ų | 123.7 | 100% | 1.128 | 74% | 0.742 | S | S | * | * | | | | 0 | 109.4 | 0 | -60 | -64.4 | -83 | 0 | 0 | 105.5 | | |
| 2 | G | 61.6 | Low | 75.9 | Confident | 80 Ų | 80 | 121.6 Ų | 121.6 | 83% | 0.825 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 151 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 3 | V | 72.7 | Confident | 76.4 | Confident | 85 Ų | 85 | 116.5 Ų | 116.5 | 52% | 0.515 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -95.5 | 127.6 | 169.5 | 174.3 | 0 | 0 | 0 | 0 | 108 | V5 D89 | V3-V5 HydrophobicContact CG1-CG2 3.99Å; V3-D89 HydrophobicContact CB-CB 3.98Å; V3-D89 HydrophobicContact CG2-CB 3.63Å |
| 4 | Q | 69.8 | Low | 76.7 | Confident | 168 Ų | 168 | 124.2 Ų | 124.2 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 126.9 | 169.2 | -173.3 | 175.2 | 73.1 | 0 | 0 | 108.1 | | |
| 5 | V | 76.9 | Confident | 77 | Confident | 84 Ų | 84 | 123.3 Ų | 123.3 | 51% | 0.509 | 72% | 0.719 | S | S | . | * | | | trans | -116.3 | 118.6 | -179.4 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | V3 L90 | V3-V5 HydrophobicContact CG1-CG2 3.99Å; V5-L90 HydrophobicContact CG2-CD2 3.9Å |
| 6 | E | 77.2 | Confident | 77.3 | Confident | 155 Ų | 155 | 124.3 Ų | 124.3 | 72% | 0.724 | 71% | 0.712 | S | S | * | * | | | trans | -111.7 | 134.7 | 171.2 | -64.8 | -169.5 | 164.2 | 0 | 0 | 109.8 | I8 | E6-I8 PolarHBondContact O-N 3.2Š|
| 7 | T | 78.5 | Confident | 77.5 | Confident | 113 Ų | 113 | 122.4 Ų | 122.4 | 69% | 0.693 | 71% | 0.705 | S | S | * | * | | | trans | -87.2 | 107.2 | 179 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | S9 | T7-S9 WeakPolarHBondContact CG2-O 3.39Š|
| 8 | I | 85.1 | Confident | 77.6 | Confident | 168 Ų | 168 | 124.1 Ų | 124.1 | 86% | 0.862 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -70.7 | -40.1 | 177.4 | -59.1 | 168.5 | 0 | 0 | 0 | 111 | E6 | E6-I8 PolarHBondContact O-N 3.2Š|
| 9 | S | 80.8 | Confident | 77.5 | Confident | 91 Ų | 91 | 130.3 Ų | 130.3 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -147 | 133.6 | 175.9 | -66.1 | 0 | 0 | 0 | 0 | 109.1 | T7 G11 | T7-S9 WeakPolarHBondContact CG2-O 3.39Å; S9-G11 PolarHBondContact O-N 3.05Å |
| 10 | P | 81.1 | Confident | 77.5 | Confident | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 71% | 0.714 | S | S | * | * | | | trans | -66.6 | 136.5 | -178.5 | 27.6 | -33.5 | 0 | 0 | 0 | 110.4 | | |
| 11 | G | 84.9 | Confident | 77 | Confident | 68 Ų | 68 | 126.2 Ų | 126.2 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | | | trans | -78.3 | -161.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S9 G13 | S9-G11 PolarHBondContact O-N 3.05Å; G11-G13 PolarHBondContact O-N 3.37Å |
| 12 | D | 83.4 | Confident | 77.6 | Confident | 98 Ų | 98 | 119.8 Ų | 119.8 | 52% | 0.524 | 68% | 0.678 | S | S | . | * | | | trans | -71.7 | -12.4 | 175.9 | 66.5 | -43.1 | 0 | 0 | 0 | 113.7 | R14 T15 | D12-R14 PolarHBondContact O-N 3.01Å; D12-T15 WeakPolarHBondContact OD2-CB 3.1Å; D12-T15 PolarHBondContact OD2-N 2.9Å; D12-T15 PolarHBondContact OD2-OG1 3.35Å |
| 13 | G | 82.2 | Confident | 78.1 | Confident | 56 Ų | 56 | 118 Ų | 118 | 58% | 0.577 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 64.9 | 10.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G11 F16 | G11-G13 PolarHBondContact O-N 3.37Å; G13-F16 WeakPolarHBondContact O-CE2 2.98Å |
| 14 | R | 80.8 | Confident | 78.2 | Confident | 224 Ų | 224 | 119.6 Ų | 119.6 | 85% | 0.845 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -126.5 | -37.5 | -174.4 | -68.8 | 176.8 | 178.4 | -172.5 | -0 | 111.7 | D12 F16 | D12-R14 PolarHBondContact O-N 3.01Å; R14-F16 WeakPolarHBondContact O-CD2 3.37Å |
| 15 | T | 81.3 | Confident | 78.4 | Confident | 110 Ų | 110 | 114.5 Ų | 114.5 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | | | trans | -93.6 | 111.1 | -179.7 | -50.4 | 0 | 0 | 0 | 0 | 110 | D12 | D12-T15 WeakPolarHBondContact OD2-CB 3.1Å; D12-T15 PolarHBondContact OD2-N 2.9Å; D12-T15 PolarHBondContact OD2-OG1 3.35Å |
| 16 | F | 82.2 | Confident | 78.3 | Confident | 139 Ų | 139 | 117.7 Ų | 117.7 | 61% | 0.61 | 65% | 0.651 | S | S | * | * | | | trans | -115.3 | 139.6 | 176.1 | -62.1 | -85.5 | 0 | 0 | 0 | 110.2 | G13 R14 | G13-F16 WeakPolarHBondContact O-CE2 2.98Å; R14-F16 WeakPolarHBondContact O-CD2 3.37Å |
| 17 | P | 79.7 | Confident | 77.8 | Confident | 93 Ų | 93 | 113.5 Ų | 113.5 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -66 | 135.4 | 178.2 | 29 | -35.3 | 0 | 0 | 0 | 110.8 | C23 | P17-C23 WeakPolarHBondContact CB-SG 3.46Š|
| 18 | K | 80.4 | Confident | 77.4 | Confident | 153 Ų | 153 | 114.4 Ų | 114.4 | 67% | 0.665 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 157.2 | 176.9 | -59.4 | 179.1 | -179.4 | 178 | 0 | 111.1 | G20 Q21 | K18-G20 PolarHBondContact O-N 3.46Å; K18-Q21 HydrophobicContact CB-CG 4.24Å; K18-Q21 WeakPolarHBondContact O-CB 3.38Å; K18-Q21 PolarHBondContact O-N 3Å; K18-Q21 VanDerWaalsContact O-N 3.1Å |
| 19 | R | 75.1 | Confident | 76.4 | Confident | 241 Ų | 241 | 109.2 Ų | 109.2 | 91% | 0.909 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.2 | 130.4 | 175 | -173.6 | 177.5 | -179.7 | 175.8 | -0.1 | 110.9 | | |
| 20 | G | 77.6 | Confident | 75.3 | Confident | 70 Ų | 70 | 112.5 Ų | 112.5 | 72% | 0.722 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 83.5 | 5.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | K18 | K18-G20 PolarHBondContact O-N 3.46Š|
| 21 | Q | 66.4 | Low | 74.1 | Confident | 105 Ų | 105 | 111.5 Ų | 111.5 | 49% | 0.491 | 61% | 0.609 | S | S | . | * | | | trans | -96.8 | 143.1 | 171.8 | -64.9 | -174.2 | -43.3 | 0 | 0 | 111.2 | K18 | K18-Q21 HydrophobicContact CB-CG 4.24Å; K18-Q21 WeakPolarHBondContact O-CB 3.38Å; K18-Q21 PolarHBondContact O-N 3Å; K18-Q21 VanDerWaalsContact O-N 3.1Å |
| 22 | T | 72.2 | Confident | 72.4 | Confident | 95 Ų | 95 | 110.2 Ų | 110.2 | 58% | 0.583 | 60% | 0.595 | S | S | * | * | | | trans | -83.2 | 129.6 | 171.9 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | F82 | T22-F82 HydrophobicContact CG2-CD1 3.3Å; T22-F82 HydrophobicContact CG2-CE1 3.37Å; T22-F82 HydrophobicContact CG2-CG 4.28Å; T22-F82 HydrophobicContact CG2-CZ 4.38Å |
| 23 | C | 71.1 | Confident | 70.9 | Confident | 41 Ų | 41 | 110.4 Ų | 110.4 | 28% | 0.277 | 60% | 0.604 | S | S | . | * | | | trans | -108.9 | 145.6 | 173.8 | -55 | 0 | 0 | 0 | 0 | 110.3 | P17 V25 | P17-C23 WeakPolarHBondContact CB-SG 3.46Å; C23-V25 HydrophobicContact CB-CG2 4.39Å |
| 24 | V | 74.8 | Confident | 69.6 | Low | 120 Ų | 120 | 116.7 Ų | 116.7 | 73% | 0.727 | 62% | 0.619 | S | S | * | * | | | trans | -105.4 | 119 | 171 | -178.8 | 0 | 0 | 0 | 0 | 107.6 | | |
| 25 | V | 75.8 | Confident | 68.4 | Low | 60 Ų | 60 | 110.9 Ų | 110.9 | 36% | 0.364 | 61% | 0.612 | S | S | . | * | | | trans | -127.6 | 135.1 | -177.6 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | C23 L83 | C23-V25 HydrophobicContact CB-CG2 4.39Å; V25-L83 HydrophobicContact CB-CD1 4.31Å; V25-L83 HydrophobicContact CG2-CD1 4.19Å |
| 26 | H | 74 | Confident | 66.7 | Low | 151 Ų | 151 | 110.5 Ų | 110.5 | 70% | 0.699 | 60% | 0.603 | S | S | * | * | | | trans | -98.2 | 114.5 | 165.4 | -65.5 | -84.3 | 0 | 0 | 0 | 107.8 | | |
| 27 | Y | 66.7 | Low | 65.2 | Low | 67 Ų | 67 | 106.5 Ų | 106.5 | 26% | 0.263 | 59% | 0.59 | S | S | . | * | | | trans | -116.8 | 147 | 174.7 | 69.4 | -86.4 | 0 | 0 | 0 | 109.7 | I40 L81 | Y27-I40 HydrophobicContact CD2-CD1 4.32Å; Y27-I40 HydrophobicContact CE1-CD1 4.36Å; Y27-I40 HydrophobicContact CE2-CD1 3.65Å; Y27-I40 HydrophobicContact CE2-CG1 3.8Å; Y27-I40 HydrophobicContact CE2-CG2 4.28Å; Y27-I40 VanDerWaalsContact OH-CG2 3.29Å; Y27-I40 WeakPolarHBondContact OH-CG2 3.49Å; Y27-L81 HydrophobicContact CE1-CD1 3.58Å; Y27-L81 WeakPolarHBondContact OH-CD1 3.12Å |
| 28 | T | 69.1 | Low | 64.2 | Low | 132 Ų | 132 | 106 Ų | 106 | 81% | 0.81 | 58% | 0.582 | S | S | * | * | | | trans | -120.3 | 118.9 | 166.5 | -58 | 0 | 0 | 0 | 0 | 105.9 | | |
| 29 | D | 65.1 | Low | 63 | Low | 59 Ų | 59 | 103.9 Ų | 103.9 | 32% | 0.316 | 57% | 0.571 | S | S | . | * | | | trans | -85 | 122.7 | 173.8 | -168.3 | -102.2 | 0 | 0 | 0 | 108 | | |
| 30 | E | 56.4 | Low | 62.3 | Low | 161 Ų | 161 | 94 Ų | 94 | 75% | 0.752 | 54% | 0.535 | S | S | * | . | | | trans | -86.9 | 112.6 | 164 | 58.8 | -168.9 | 153.5 | 0 | 0 | 106.9 | G32 | E30-G32 PolarHBondContact O-N 2.8Š|
| 31 | C | 56.8 | Low | 61.3 | Low | 99 Ų | 99 | 94.1 Ų | 94.1 | 67% | 0.669 | 53% | 0.525 | S | S | * | . | | | trans | -69.5 | 73.2 | -177.9 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | T37 | C31-T37 HydrophobicContact CB-CG2 4.4Š|
| 32 | G | 49.3 | Very low | 60.9 | Low | 40 Ų | 40 | 97.2 Ų | 97.2 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | | | trans | -75.8 | 119.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | E30 E34 | E30-G32 PolarHBondContact O-N 2.8Å; G32-E34 PolarHBondContact O-N 2.63Å |
| 33 | S | 52.4 | Low | 60.2 | Low | 103 Ų | 103 | 93.7 Ų | 93.7 | 72% | 0.72 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -5 | 114.7 | 176.1 | 49.6 | 0 | 0 | 0 | 0 | 117.7 | S35 | S33-S35 VanDerWaalsContact C-N 3.34Å; S33-S35 PolarHBondContact O-N 3.24Å |
| 34 | E | 53.9 | Low | 59.6 | Low | 188 Ų | 188 | 94 Ų | 94 | 88% | 0.879 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -2.7 | 150.7 | -64.7 | -169.2 | 134.8 | 0 | 0 | 121.4 | G32 | G32-E34 PolarHBondContact O-N 2.63Š|
| 35 | S | 55.2 | Low | 58.6 | Low | 101 Ų | 101 | 93.5 Ų | 93.5 | 71% | 0.706 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127 | -15.4 | 178.5 | 71.5 | 0 | 0 | 0 | 0 | 117.2 | S33 | S33-S35 VanDerWaalsContact C-N 3.34Å; S33-S35 PolarHBondContact O-N 3.24Å |
| 36 | Q | 47.6 | Very low | 57.1 | Low | 103 Ų | 103 | 99.4 Ų | 99.4 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -97.1 | -32.9 | -176.9 | -151.4 | 168.1 | 33.9 | 0 | 0 | 113.3 | D38 Y39 | Q36-D38 PolarHBondContact O-N 2.92Å; Q36-D38 VanDerWaalsContact O-N 3.08Å; Q36-Y39 PolarHBondContact O-N 2.93Å |
| 37 | T | 50.5 | Low | 56 | Low | 54 Ų | 54 | 95.4 Ų | 95.4 | 33% | 0.331 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.6 | -19.4 | 172.6 | 34.4 | 0 | 0 | 0 | 0 | 113.9 | C31 Y39 S41 | C31-T37 HydrophobicContact CB-CG2 4.4Å; T37-Y39 VanDerWaalsContact C-N 3.33Å; T37-Y39 PolarHBondContact O-N 3.31Å; T37-S41 WeakPolarHBondContact O-CB 3.21Å; T37-S41 PolarHBondContact O-N 2.98Å; T37-S41 PolarHBondContact O-OG 3.42Å |
| 38 | D | 57.4 | Low | 55 | Low | 83 Ų | 83 | 97.4 Ų | 97.4 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.3 | -34.7 | -179 | -157.8 | -101.2 | 0 | 0 | 0 | 111.5 | Q36 R42 | Q36-D38 PolarHBondContact O-N 2.92Å; Q36-D38 VanDerWaalsContact O-N 3.08Å; D38-R42 WeakPolarHBondContact O-CB 3.36Å; D38-R42 WeakPolarHBondContact O-CD 3.39Å; D38-R42 WeakPolarHBondContact O-CG 3.48Å; D38-R42 PolarHBondContact O-N 3.14Å; D38-R42 WeakPolarHBondContact OD1-CD 3.29Å; D38-R42 IonicContact OD1-NE 3.88Å; D38-R42 IonicContact OD1-NH1 3.38Å; D38-R42 PolarHBondContact OD1-NH1 3.08Å |
| 39 | Y | 56.2 | Low | 53.3 | Low | 109 Ų | 109 | 100.9 Ų | 100.9 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74.1 | -50 | -172.1 | -170.3 | -98.9 | 0 | 0 | 0 | 112.8 | Q36 T37 S41 R42 L43 L85 | Q36-Y39 PolarHBondContact O-N 2.93Å; T37-Y39 VanDerWaalsContact C-N 3.33Å; T37-Y39 PolarHBondContact O-N 3.31Å; Y39-S41 VanDerWaalsContact C-N 3.35Å; Y39-R42 PolarHBondContact O-N 3.36Å; Y39-L43 WeakPolarHBondContact O-CB 3.42Å; Y39-L43 PolarHBondContact O-N 3.33Å; Y39-L85 HydrophobicContact CE1-CD1 3.85Å; Y39-L85 HydrophobicContact CE1-CD2 4.11Å; Y39-L85 HydrophobicContact CE1-CG 4.14Å; Y39-L85 WeakPolarHBondContact OH-CD1 3.11Å; Y39-L85 WeakPolarHBondContact OH-CG 3.48Å |
| 40 | I | 59.3 | Low | 52 | Low | 33 Ų | 33 | 100.2 Ų | 100.2 | 17% | 0.169 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -67.4 | -38.6 | 176 | -60.6 | -58.5 | 0 | 0 | 0 | 110.6 | Y27 R42 L43 C44 | Y27-I40 HydrophobicContact CD2-CD1 4.32Å; Y27-I40 HydrophobicContact CE1-CD1 4.36Å; Y27-I40 HydrophobicContact CE2-CD1 3.65Å; Y27-I40 HydrophobicContact CE2-CG1 3.8Å; Y27-I40 HydrophobicContact CE2-CG2 4.28Å; Y27-I40 VanDerWaalsContact OH-CG2 3.29Å; Y27-I40 WeakPolarHBondContact OH-CG2 3.49Å; I40-R42 PolarHBondContact O-N 3.1Å; I40-L43 PolarHBondContact O-N 3.33Å; I40-C44 WeakPolarHBondContact O-CB 3.2Å; I40-C44 PolarHBondContact O-N 3.04Å; I40-C44 PolarHBondContact O-SG 2.6Å |
| 41 | S | 57.8 | Low | 51.1 | Low | 73 Ų | 73 | 98.6 Ų | 98.6 | 51% | 0.51 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 176.6 | -61.2 | 0 | 0 | 0 | 0 | 111.7 | T37 Y39 L45 | T37-S41 WeakPolarHBondContact O-CB 3.21Å; T37-S41 PolarHBondContact O-N 2.98Å; T37-S41 PolarHBondContact O-OG 3.42Å; Y39-S41 VanDerWaalsContact C-N 3.35Å; S41-L45 WeakPolarHBondContact O-CB 3.13Å; S41-L45 PolarHBondContact O-N 3.12Å |
| 42 | R | 57.1 | Low | 50.6 | Low | 169 Ų | 169 | 103.1 Ų | 103.1 | 64% | 0.638 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.3 | -36.8 | 176.1 | -74.1 | 172.8 | 77.2 | -174 | 12.4 | 112.6 | D38 Y39 I40 L45 W46 | D38-R42 WeakPolarHBondContact O-CB 3.36Å; D38-R42 WeakPolarHBondContact O-CD 3.39Å; D38-R42 WeakPolarHBondContact O-CG 3.48Å; D38-R42 PolarHBondContact O-N 3.14Å; D38-R42 WeakPolarHBondContact OD1-CD 3.29Å; D38-R42 IonicContact OD1-NE 3.88Å; D38-R42 IonicContact OD1-NH1 3.38Å; D38-R42 PolarHBondContact OD1-NH1 3.08Å; Y39-R42 PolarHBondContact O-N 3.36Å; I40-R42 PolarHBondContact O-N 3.1Å; R42-L45 PolarHBondContact O-N 3.34Å; R42-W46 WeakPolarHBondContact O-CB 3.21Å; R42-W46 PolarHBondContact O-N 3.1Å |
| 43 | L | 57.8 | Low | 50.3 | Low | 21 Ų | 21 | 110.7 Ų | 110.7 | 11% | 0.11 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -65.8 | -46.8 | 175.2 | -171.2 | 66.3 | 0 | 0 | 0 | 111.4 | Y39 I40 L45 W46 C47 L83 | Y39-L43 WeakPolarHBondContact O-CB 3.42Å; Y39-L43 PolarHBondContact O-N 3.33Å; I40-L43 PolarHBondContact O-N 3.33Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.01Å; L43-W46 HydrophobicContact CD1-CE3 4.37Å; L43-W46 WeakPolarHBondContact O-CB 3.42Å; L43-W46 PolarHBondContact O-N 3.29Å; L43-W46 VanDerWaalsContact O-N 3.12Å; L43-C47 PolarHBondContact O-N 3.49Å; L43-C47 PolarHBondContact O-SG 3.41Å; L43-L83 HydrophobicContact CD2-CD2 3.7Å |
| 44 | C | 58.8 | Low | 49.7 | Very low | 49 Ų | 49 | 111.7 Ų | 111.7 | 33% | 0.331 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 174 | -71.4 | 0 | 0 | 0 | 0 | 112 | I40 W46 C47 H48 | I40-C44 WeakPolarHBondContact O-CB 3.2Å; I40-C44 PolarHBondContact O-N 3.04Å; I40-C44 PolarHBondContact O-SG 2.6Å; C44-W46 VanDerWaalsContact C-N 3.26Å; C44-W46 PolarHBondContact O-N 3.25Å; C44-C47 PolarHBondContact O-N 2.99Å; C44-H48 PolarHBondContact O-N 3.12Å; C44-H48 VanDerWaalsContact O-N 3.12Å |
| 45 | L | 53.6 | Low | 49 | Very low | 108 Ų | 108 | 108.8 Ų | 108.8 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.8 | -32.4 | 174.8 | -164.8 | 78.7 | 0 | 0 | 0 | 111.2 | S41 R42 L43 H48 | S41-L45 WeakPolarHBondContact O-CB 3.13Å; S41-L45 PolarHBondContact O-N 3.12Å; R42-L45 PolarHBondContact O-N 3.34Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.01Å; L45-H48 WeakPolarHBondContact CA-ND1 3.12Å; L45-H48 WeakPolarHBondContact CD1-CE1 2.88Å; L45-H48 VanDerWaalsContact CG-CE1 3.49Å; L45-H48 WeakPolarHBondContact CG-CE1 3.21Å; L45-H48 PolarHBondContact O-CE1 3.44Å; L45-H48 PolarHBondContact O-ND1 3.47Å |
| 46 | W | 43.6 | Very low | 48.4 | Very low | 184 Ų | 184 | 110.5 Ų | 110.5 | 70% | 0.697 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -74 | -42.2 | 174.7 | -169.9 | 14.4 | 0 | 0 | 0 | 112.1 | R42 L43 C44 H48 W49 A50 | R42-W46 WeakPolarHBondContact O-CB 3.21Å; R42-W46 PolarHBondContact O-N 3.1Å; L43-W46 HydrophobicContact CD1-CE3 4.37Å; L43-W46 WeakPolarHBondContact O-CB 3.42Å; L43-W46 PolarHBondContact O-N 3.29Å; L43-W46 VanDerWaalsContact O-N 3.12Å; C44-W46 VanDerWaalsContact C-N 3.26Å; C44-W46 PolarHBondContact O-N 3.25Å; W46-H48 VanDerWaalsContact C-N 3.32Å; W46-H48 PolarHBondContact O-N 2.87Å; W46-W49 PolarHBondContact O-N 2.86Å; W46-W49 VanDerWaalsContact O-N 3.1Å; W46-A50 PolarHBondContact O-N 3.31Å |
| 47 | C | 51 | Low | 48.2 | Very low | 68 Ų | 68 | 111.6 Ų | 111.6 | 46% | 0.459 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.3 | -36 | 178.5 | -65.9 | 0 | 0 | 0 | 0 | 113.5 | L43 C44 W49 | L43-C47 PolarHBondContact O-N 3.49Å; L43-C47 PolarHBondContact O-SG 3.41Å; C44-C47 PolarHBondContact O-N 2.99Å; C47-W49 VanDerWaalsContact C-N 3.32Å |
| 48 | H | 45.8 | Very low | 47.6 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 50% | 0.5 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -75.9 | -18.4 | 177.3 | 89.7 | -65.6 | 0 | 0 | 0 | 113.6 | C44 L45 W46 | C44-H48 PolarHBondContact O-N 3.12Å; C44-H48 VanDerWaalsContact O-N 3.12Å; L45-H48 WeakPolarHBondContact CA-ND1 3.12Å; L45-H48 WeakPolarHBondContact CD1-CE1 2.88Å; L45-H48 VanDerWaalsContact CG-CE1 3.49Å; L45-H48 WeakPolarHBondContact CG-CE1 3.21Å; L45-H48 PolarHBondContact O-CE1 3.44Å; L45-H48 PolarHBondContact O-ND1 3.47Å; W46-H48 VanDerWaalsContact C-N 3.32Å; W46-H48 PolarHBondContact O-N 2.87Å |
| 49 | W | 33.9 | Very low | 46.9 | Very low | 205 Ų | 205 | 120.4 Ų | 120.4 | 78% | 0.777 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -100.1 | -18.3 | -179.2 | -100.9 | 47.7 | 0 | 0 | 0 | 115 | W46 C47 P51 | W46-W49 PolarHBondContact O-N 2.86Å; W46-W49 VanDerWaalsContact O-N 3.1Å; C47-W49 VanDerWaalsContact C-N 3.32Å; W49-P51 WeakPolarHBondContact O-CD 3.46Å |
| 50 | A | 38 | Very low | 45.9 | Very low | 46 Ų | 46 | 119.7 Ų | 119.7 | 38% | 0.38 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -65.7 | 125.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110 | W46 R52 | W46-A50 PolarHBondContact O-N 3.31Å; A50-R52 PolarHBondContact O-N 2.88Å |
| 51 | P | 38.1 | Very low | 45.3 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | | | trans | -60 | 106.3 | 175 | -22.5 | 33.4 | 0 | 0 | 0 | 109.8 | W49 H53 | W49-P51 WeakPolarHBondContact O-CD 3.46Å; P51-H53 PolarHBondContact O-N 2.96Å |
| 52 | R | 45.2 | Very low | 44.4 | Very low | 194 Ų | 194 | 133 Ų | 133 | 73% | 0.732 | 67% | 0.668 | S | S | * | * | | | trans | -69.8 | 73.6 | 178.7 | -79.5 | -168.9 | -83.3 | -173.9 | -8.1 | 110.8 | A50 H54 | A50-R52 PolarHBondContact O-N 2.88Å; R52-H54 PolarHBondContact O-N 2.94Å; R52-H54 PolarHBondContact O-ND1 3.06Å |
| 53 | H | 43.2 | Very low | 43.6 | Very low | 200 Ų | 200 | 136.2 Ų | 136.2 | 93% | 0.926 | 68% | 0.68 | S | S | * | * | | | trans | -79.3 | 76.8 | 167.3 | -135.8 | -66.8 | 0 | 0 | 0 | 109.1 | P51 | P51-H53 PolarHBondContact O-N 2.96Š|
| 54 | H | 39.6 | Very low | 42.8 | Very low | 123 Ų | 123 | 141.2 Ų | 141.2 | 57% | 0.569 | 72% | 0.716 | S | S | * | * | | | trans | -135.3 | 136.6 | 169 | 69 | -31.7 | 0 | 0 | 0 | 108.6 | R52 | R52-H54 PolarHBondContact O-N 2.94Å; R52-H54 PolarHBondContact O-ND1 3.06Å |
| 55 | P | 38.7 | Very low | 41.6 | Very low | 127 Ų | 127 | 142.3 Ų | 142.3 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | | | trans | -71.2 | 138.9 | -172 | 29.1 | -31.5 | 0 | 0 | 0 | 110.2 | T57 | P55-T57 PolarHBondContact O-N 2.87Š|
| 56 | T | 43.5 | Very low | 41 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -64.6 | 96.6 | -175.5 | 46.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 57 | T | 43.5 | Very low | 40.7 | Very low | 126 Ų | 126 | 139 Ų | 139 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | | | trans | -159.8 | 87.4 | 148.8 | -61.5 | 0 | 0 | 0 | 0 | 108.9 | P55 | P55-T57 PolarHBondContact O-N 2.87Š|
| 58 | C | 36.9 | Very low | 40.4 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | | | trans | -155.2 | 96.6 | 152.2 | -92.1 | 0 | 0 | 0 | 0 | 106.7 | S60 | C58-S60 PolarHBondContact O-N 2.67Š|
| 59 | H | 42.9 | Very low | 39.8 | Very low | 194 Ų | 194 | 147 Ų | 147 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | | | trans | -63.6 | 111.6 | 170 | -92.3 | -92.3 | 0 | 0 | 0 | 109.2 | | |
| 60 | S | 35 | Very low | 39.9 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | | | trans | -132.1 | 107.7 | 151.7 | 59.9 | 0 | 0 | 0 | 0 | 108.7 | C58 L62 | C58-S60 PolarHBondContact O-N 2.67Å; S60-L62 VanDerWaalsContact C-N 3.29Å; S60-L62 PolarHBondContact O-N 3.24Å |
| 61 | R | 47.9 | Very low | 40 | Very low | 241 Ų | 241 | 147.1 Ų | 147.1 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | -61.7 | 93.2 | 165.3 | -91.8 | 179.1 | 163.7 | -161.2 | -1.3 | 107.8 | | |
| 62 | L | 39 | Very low | 40 | Very low | 146 Ų | 146 | 147.4 Ų | 147.4 | 76% | 0.764 | 82% | 0.815 | S | S | * | * | | | trans | -100.8 | 87.7 | 159.4 | -70.9 | 173 | 0 | 0 | 0 | 107.6 | S60 C64 | S60-L62 VanDerWaalsContact C-N 3.29Å; S60-L62 PolarHBondContact O-N 3.24Å; L62-C64 PolarHBondContact O-N 3.32Å |
| 63 | R | 39.4 | Very low | 39.8 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | | | trans | -80.5 | 96.7 | 160.7 | -76.3 | -98.8 | -74.1 | -175.6 | -2.3 | 106.2 | G65 | R63-G65 VanDerWaalsContact C-N 3.34Å; R63-G65 PolarHBondContact O-N 2.96Å |
| 64 | C | 40.4 | Very low | 39.6 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | | | trans | -68.6 | 95.7 | 164.9 | -67.8 | 0 | 0 | 0 | 0 | 108.2 | L62 | L62-C64 PolarHBondContact O-N 3.32Š|
| 65 | G | 33.8 | Very low | 39.4 | Very low | 71 Ų | 71 | 139.3 Ų | 139.3 | 73% | 0.732 | 82% | 0.824 | S | S | * | * | | | trans | -80.3 | 119.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109 | R63 S67 | R63-G65 VanDerWaalsContact C-N 3.34Å; R63-G65 PolarHBondContact O-N 2.96Å; G65-S67 PolarHBondContact O-N 3.48Å |
| 66 | A | 42.3 | Very low | 39.4 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | | | trans | -71.6 | 115.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 67 | S | 36.2 | Very low | 39 | Very low | 113 Ų | 113 | 136 Ų | 136 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -120.2 | 103.7 | 158.4 | 58.2 | 0 | 0 | 0 | 0 | 108.5 | G65 T69 | G65-S67 PolarHBondContact O-N 3.48Å; S67-T69 PolarHBondContact O-N 2.89Å |
| 68 | K | 44.4 | Very low | 39.1 | Very low | 203 Ų | 203 | 134 Ų | 134 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -55.1 | 121.1 | 161.7 | -78 | -179.4 | 161.9 | 100.9 | 0 | 107.7 | | |
| 69 | T | 32.8 | Very low | 39.2 | Very low | 142 Ų | 142 | 131.8 Ų | 131.8 | 87% | 0.871 | 78% | 0.78 | S | S | * | * | | | trans | -175.5 | 119.5 | 142.4 | -69.6 | 0 | 0 | 0 | 0 | 109.1 | S67 | S67-T69 PolarHBondContact O-N 2.89Š|
| 70 | G | 37.3 | Very low | 39.2 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 77% | 0.767 | S | S | * | * | | | trans | 63.2 | 107.9 | 140.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 71 | M | 39.1 | Very low | 39.7 | Very low | 182 Ų | 182 | 124 Ų | 124 | 90% | 0.897 | 74% | 0.744 | S | S | * | * | | | trans | 52.8 | 138.3 | 143.6 | -78.2 | 174 | 64.8 | 0 | 0 | 122.5 | | |
| 72 | T | 38.6 | Very low | 39.2 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 91.3 | 101.6 | 158.2 | -42.6 | 0 | 0 | 0 | 0 | 116.7 | | |
| 73 | G | 40.5 | Very low | 39.3 | Very low | 73 Ų | 73 | 114.7 Ų | 114.7 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | | | trans | 55.5 | 81.1 | 149 | 0 | 0 | 0 | 0 | 0 | 117 | A75 | G73-A75 VanDerWaalsContact C-N 3.33Å; G73-A75 PolarHBondContact O-N 3.41Å |
| 74 | M | 40.2 | Very low | 39.3 | Very low | 182 Ų | 182 | 110.1 Ų | 110.1 | 90% | 0.897 | 70% | 0.699 | S | S | * | * | | | trans | -74 | 86.2 | 168.5 | -63.6 | -174.6 | -150.7 | 0 | 0 | 110.2 | S76 | M74-S76 PolarHBondContact O-N 2.72Š|
| 75 | A | 34.4 | Very low | 39.2 | Very low | 91 Ų | 91 | 107.2 Ų | 107.2 | 75% | 0.752 | 68% | 0.675 | S | S | * | * | | | trans | -69.9 | 96.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | G73 S77 | G73-A75 VanDerWaalsContact C-N 3.33Å; G73-A75 PolarHBondContact O-N 3.41Å; A75-S77 PolarHBondContact O-N 3.49Å; A75-S77 VanDerWaalsContact O-N 3.08Å |
| 76 | S | 38.8 | Very low | 39.5 | Very low | 88 Ų | 88 | 107.7 Ų | 107.7 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | | | trans | -74.9 | 97.9 | 178.2 | -62.1 | 0 | 0 | 0 | 0 | 108.9 | M74 L78 | M74-S76 PolarHBondContact O-N 2.72Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.36Å |
| 77 | S | 36.4 | Very low | 39.3 | Very low | 107 Ų | 107 | 109.7 Ų | 109.7 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | | | trans | -72.9 | 88.9 | 170.2 | -168.7 | 0 | 0 | 0 | 0 | 109 | A75 S79 | A75-S77 PolarHBondContact O-N 3.49Å; A75-S77 VanDerWaalsContact O-N 3.08Å; S77-S79 PolarHBondContact O-N 3.2Å |
| 78 | L | 44.9 | Very low | 39.4 | Very low | 84 Ų | 84 | 113.3 Ų | 113.3 | 44% | 0.44 | 65% | 0.646 | S | S | . | * | | | trans | -86 | 83.6 | 171.1 | -68 | 175.8 | 0 | 0 | 0 | 108.5 | S76 L81 | S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 3.36Å; L78-L81 HydrophobicContact CB-CD1 3.85Å; L78-L81 HydrophobicContact CD1-CD1 3.99Å |
| 79 | S | 39.1 | Very low | 39.4 | Very low | 82 Ų | 82 | 107.3 Ų | 107.3 | 57% | 0.573 | 62% | 0.623 | S | S | * | * | | | trans | -67.9 | 131.9 | 166.6 | 78.1 | 0 | 0 | 0 | 0 | 108.8 | S77 | S77-S79 PolarHBondContact O-N 3.2Š|
| 80 | S | 42.4 | Very low | 39.9 | Very low | 91 Ų | 91 | 105.4 Ų | 105.4 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | | | trans | 77.3 | 77.4 | 178.8 | 69.2 | 0 | 0 | 0 | 0 | 116 | | |
| 81 | L | 45 | Very low | 40 | Very low | 34 Ų | 34 | 105.7 Ų | 105.7 | 18% | 0.178 | 60% | 0.595 | C | S | . | * | | | trans | -118.1 | 114.8 | 161.7 | -73.7 | 166.4 | 0 | 0 | 0 | 109.2 | Y27 L78 L83 | Y27-L81 HydrophobicContact CE1-CD1 3.58Å; Y27-L81 WeakPolarHBondContact OH-CD1 3.12Å; L78-L81 HydrophobicContact CB-CD1 3.85Å; L78-L81 HydrophobicContact CD1-CD1 3.99Å; L81-L83 PolarHBondContact O-N 3.42Å; L81-L83 VanDerWaalsContact O-N 3.14Å |
| 82 | F | 37.7 | Very low | 40 | Very low | 148 Ų | 148 | 101.1 Ų | 101.1 | 65% | 0.649 | 58% | 0.579 | S | S | * | * | | | trans | -65.8 | 104.7 | 172 | -72.4 | -101.3 | 0 | 0 | 0 | 107.8 | T22 D84 | T22-F82 HydrophobicContact CG2-CD1 3.3Å; T22-F82 HydrophobicContact CG2-CE1 3.37Å; T22-F82 HydrophobicContact CG2-CG 4.28Å; T22-F82 HydrophobicContact CG2-CZ 4.38Å; F82-D84 PolarHBondContact O-N 3.38Å |
| 83 | L | 40.7 | Very low | 40.3 | Very low | 42 Ų | 42 | 100.3 Ų | 100.3 | 22% | 0.22 | 58% | 0.576 | C | S | . | * | | | trans | -88.3 | 99 | 172.7 | -61.7 | -174.5 | 0 | 0 | 0 | 108.8 | V25 L43 L81 L85 | V25-L83 HydrophobicContact CB-CD1 4.31Å; V25-L83 HydrophobicContact CG2-CD1 4.19Å; L43-L83 HydrophobicContact CD2-CD2 3.7Å; L81-L83 PolarHBondContact O-N 3.42Å; L81-L83 VanDerWaalsContact O-N 3.14Å; L83-L85 HydrophobicContact CB-CD1 3.73Å; L83-L85 HydrophobicContact CD1-CD1 4.11Å; L83-L85 HydrophobicContact CD2-CD1 3.6Å; L83-L85 HydrophobicContact CG-CD1 3.97Å; L83-L85 PolarHBondContact O-N 3.08Å |
| 84 | D | 39.4 | Very low | 40.6 | Very low | 141 Ų | 141 | 102.9 Ų | 102.9 | 75% | 0.754 | 57% | 0.572 | S | S | * | * | | | trans | -86.1 | 60.5 | 149.3 | -101.5 | -51.8 | 0 | 0 | 0 | 107.7 | F82 | F82-D84 PolarHBondContact O-N 3.38Š|
| 85 | L | 40.2 | Very low | 41 | Very low | 64 Ų | 64 | 101.9 Ų | 101.9 | 34% | 0.335 | 57% | 0.567 | S | S | . | * | | | trans | -68.1 | 133.8 | 169.4 | -105.3 | 73 | 0 | 0 | 0 | 108.1 | Y39 L83 W87 | Y39-L85 HydrophobicContact CE1-CD1 3.85Å; Y39-L85 HydrophobicContact CE1-CD2 4.11Å; Y39-L85 HydrophobicContact CE1-CG 4.14Å; Y39-L85 WeakPolarHBondContact OH-CD1 3.11Å; Y39-L85 WeakPolarHBondContact OH-CG 3.48Å; L83-L85 HydrophobicContact CB-CD1 3.73Å; L83-L85 HydrophobicContact CD1-CD1 4.11Å; L83-L85 HydrophobicContact CD2-CD1 3.6Å; L83-L85 HydrophobicContact CG-CD1 3.97Å; L83-L85 PolarHBondContact O-N 3.08Å; L85-W87 PolarHBondContact O-N 3.24Å |
| 86 | P | 39.8 | Very low | 41.7 | Very low | 82 Ų | 82 | 103 Ų | 103 | 53% | 0.532 | 57% | 0.569 | S | S | . | * | | | trans | -61.4 | 107.6 | 171.5 | 25.6 | -30.8 | 0 | 0 | 0 | 107.5 | R88 | P86-R88 PolarHBondContact O-N 2.68Š|
| 87 | W | 38.2 | Very low | 41.9 | Very low | 150 Ų | 150 | 108.9 Ų | 108.9 | 57% | 0.568 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -49.7 | -9 | -177.3 | 84.5 | -74.2 | 0 | 0 | 0 | 115.9 | L85 D89 L90 V91 | L85-W87 PolarHBondContact O-N 3.24Å; W87-D89 PolarHBondContact O-N 2.97Å; W87-L90 PolarHBondContact O-N 3.48Å; W87-V91 HydrophobicContact CE3-CG2 3.75Å; W87-V91 HydrophobicContact CZ3-CB 4.15Å; W87-V91 HydrophobicContact CZ3-CG2 3.54Å |
| 88 | R | 37.7 | Very low | 42.1 | Very low | 189 Ų | 189 | 109 Ų | 109 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -66.3 | -16.7 | -173.4 | -63.3 | -162.7 | 132.5 | -85 | -3.9 | 113.7 | P86 | P86-R88 PolarHBondContact O-N 2.68Š|
| 89 | D | 44.7 | Very low | 42 | Very low | 77 Ų | 77 | 110.3 Ų | 110.3 | 41% | 0.412 | 60% | 0.601 | S | S | . | * | G | 310 helix | trans | -101.6 | -0 | -177.3 | -68 | -40 | 0 | 0 | 0 | 114.2 | V3 W87 | V3-D89 HydrophobicContact CB-CB 3.98Å; V3-D89 HydrophobicContact CG2-CB 3.63Å; W87-D89 PolarHBondContact O-N 2.97Å |
| 90 | L | 43.7 | Very low | 42.2 | Very low | 103 Ų | 103 | 111.8 Ų | 111.8 | 54% | 0.539 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -110 | 2.1 | -177.9 | -68.7 | 177.2 | 0 | 0 | 0 | 114.8 | V5 W87 | V5-L90 HydrophobicContact CG2-CD2 3.9Å; W87-L90 PolarHBondContact O-N 3.48Å |
| 91 | V | 38.6 | Very low | 42.1 | Very low | 76 Ų | 76 | 113.1 Ų | 113.1 | 46% | 0.461 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -113 | 114.6 | 179.1 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | W87 | W87-V91 HydrophobicContact CE3-CG2 3.75Å; W87-V91 HydrophobicContact CZ3-CB 4.15Å; W87-V91 HydrophobicContact CZ3-CG2 3.54Å |
| 92 | P | 39.1 | Very low | 42 | Very low | 86 Ų | 86 | 118 Ų | 118 | 56% | 0.558 | 63% | 0.627 | S | S | * | * | | | trans | -58.6 | 138.4 | 167.5 | -18.7 | 30 | 0 | 0 | 0 | 109.9 | D94 | P92-D94 PolarHBondContact O-N 2.96Š|
| 93 | P | 45.3 | Very low | 42.3 | Very low | 116 Ų | 116 | 116 Ų | 116 | 75% | 0.753 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -4.2 | -173.9 | 25.1 | -33.7 | 0 | 0 | 0 | 115.3 | | |
| 94 | D | 46.7 | Very low | 42.4 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 8.7 | -170.2 | -59.3 | -50.5 | 0 | 0 | 0 | 115.3 | P92 | P92-D94 PolarHBondContact O-N 2.96Š|
| 95 | M | 48.5 | Very low | 42.6 | Very low | 161 Ų | 161 | 119.8 Ų | 119.8 | 79% | 0.793 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -109.6 | 36.7 | 176.8 | -65 | -68.3 | 131.9 | 0 | 0 | 112.7 | | |
| 96 | C | 49.4 | Very low | 42.8 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 78% | 0.784 | 67% | 0.673 | S | S | * | * | | | trans | -130.9 | 74.1 | 168.4 | -75 | 0 | 0 | 0 | 0 | 110 | | |
| 97 | T | 41.8 | Very low | 43.1 | Very low | 210 Ų | 210 | 128.3 Ų | 128.3 | 100% | 1.288 | 69% | 0.686 | S | S | * | * | | | trans | -143.3 | 0 | 153.5 | -4.9 | 0 | 0 | 0 | 0 | 109.8 | | |