| 1 | M | 59.3 | Low | 80.9 | Confident | 244 Ų | 244 | 116.8 Ų | 116.8 | 100% | 1.202 | 67% | 0.669 | S | S | * | * | | | | 0 | 108.7 | 0 | -75.3 | 167 | 153 | 0 | 0 | 107.3 | G3 | M1-G3 PolarHBondContact O-N 3.26Š|
| 2 | A | 69.2 | Low | 81.7 | Confident | 97 Ų | 97 | 116.3 Ų | 116.3 | 80% | 0.802 | 66% | 0.661 | S | S | * | * | | | trans | -66.3 | 119 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 3 | G | 72.3 | Confident | 82.4 | Confident | 47 Ų | 47 | 115.6 Ų | 115.6 | 49% | 0.485 | 65% | 0.654 | S | S | . | * | | | trans | -68.4 | 158.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | M1 G5 | M1-G3 PolarHBondContact O-N 3.26Å; G3-G5 PolarHBondContact O-N 3.05Å |
| 4 | P | 76.1 | Confident | 83 | Confident | 112 Ų | 112 | 113.8 Ų | 113.8 | 73% | 0.727 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -4.8 | -172.6 | 27.3 | -35.1 | 0 | 0 | 0 | 114.7 | W6 T7 | P4-W6 VanDerWaalsContact C-N 3.27Å; P4-W6 PolarHBondContact O-N 3.12Å; P4-T7 PolarHBondContact O-N 3.03Å; P4-T7 PolarHBondContact O-OG1 2.72Å |
| 5 | G | 83.9 | Confident | 83.4 | Confident | 45 Ų | 45 | 113.7 Ų | 113.7 | 46% | 0.464 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -66.5 | -24.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | G3 T7 | G3-G5 PolarHBondContact O-N 3.05Å; G5-T7 VanDerWaalsContact C-N 3.32Å; G5-T7 PolarHBondContact O-N 3.25Å |
| 6 | W | 85.6 | Confident | 83.6 | Confident | 198 Ų | 198 | 114.7 Ų | 114.7 | 75% | 0.75 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.8 | -30 | 176.7 | -100.4 | 26.5 | 0 | 0 | 0 | 113.3 | P4 L8 L9 L10 | P4-W6 VanDerWaalsContact C-N 3.27Å; P4-W6 PolarHBondContact O-N 3.12Å; W6-L8 VanDerWaalsContact C-N 3.34Å; W6-L8 PolarHBondContact O-N 2.7Å; W6-L9 PolarHBondContact O-N 2.87Å; W6-L10 PolarHBondContact O-N 3.05Å |
| 7 | T | 87.3 | Confident | 83.8 | Confident | 97 Ų | 97 | 113.6 Ų | 113.6 | 60% | 0.595 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.3 | -37.5 | -179 | -30.6 | 0 | 0 | 0 | 0 | 111.4 | P4 G5 L10 L11 | P4-T7 PolarHBondContact O-N 3.03Å; P4-T7 PolarHBondContact O-OG1 2.72Å; G5-T7 VanDerWaalsContact C-N 3.32Å; G5-T7 PolarHBondContact O-N 3.25Å; T7-L10 PolarHBondContact O-N 2.66Å; T7-L11 WeakPolarHBondContact O-CB 3.23Å; T7-L11 PolarHBondContact O-N 2.64Å |
| 8 | L | 86.5 | Confident | 83.9 | Confident | 119 Ų | 119 | 113.3 Ų | 113.3 | 62% | 0.623 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -64.7 | -42.6 | 174.5 | -88.6 | 153.3 | 0 | 0 | 0 | 112 | W6 L10 L11 L12 | W6-L8 VanDerWaalsContact C-N 3.34Å; W6-L8 PolarHBondContact O-N 2.7Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L11 PolarHBondContact O-N 2.6Å; L8-L12 PolarHBondContact O-N 3.17Å |
| 9 | L | 89.7 | Confident | 83.8 | Confident | 112 Ų | 112 | 109.8 Ų | 109.8 | 59% | 0.586 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.7 | -42.8 | 174 | -78.9 | 165.8 | 0 | 0 | 0 | 111.4 | W6 L11 L12 L13 | W6-L9 PolarHBondContact O-N 2.87Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 2.69Å; L9-L12 PolarHBondContact O-N 3.21Å; L9-L13 WeakPolarHBondContact O-CB 3.36Å; L9-L13 PolarHBondContact O-N 2.86Å |
| 10 | L | 90.2 | Very high | 83.4 | Confident | 106 Ų | 106 | 107.2 Ų | 107.2 | 56% | 0.555 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63 | -42.2 | 178.1 | -139.8 | 102.6 | 0 | 0 | 0 | 111.6 | W6 T7 L8 L13 L14 | W6-L10 PolarHBondContact O-N 3.05Å; T7-L10 PolarHBondContact O-N 2.66Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L10-L13 PolarHBondContact O-N 2.65Å; L10-L14 HydrophobicContact CD2-CD1 4.36Å; L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 PolarHBondContact O-N 2.91Å |
| 11 | L | 90.2 | Very high | 82.8 | Confident | 108 Ų | 108 | 109.2 Ų | 109.2 | 57% | 0.565 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63.9 | -44.7 | 178.8 | -159.4 | 94.7 | 0 | 0 | 0 | 111.6 | T7 L8 L9 L14 L15 | T7-L11 WeakPolarHBondContact O-CB 3.23Å; T7-L11 PolarHBondContact O-N 2.64Å; L8-L11 PolarHBondContact O-N 2.6Å; L9-L11 VanDerWaalsContact C-N 3.34Å; L9-L11 PolarHBondContact O-N 2.69Å; L11-L14 PolarHBondContact O-N 3.3Å; L11-L15 WeakPolarHBondContact O-CG 3.24Å; L11-L15 PolarHBondContact O-N 2.86Å |
| 12 | L | 90.1 | Very high | 83.4 | Confident | 110 Ų | 110 | 101.6 Ų | 101.6 | 58% | 0.576 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60 | -44.3 | 175.1 | -101 | 152.9 | 0 | 0 | 0 | 111.8 | L8 L9 L15 L16 | L8-L12 PolarHBondContact O-N 3.17Å; L9-L12 PolarHBondContact O-N 3.21Å; L12-L15 PolarHBondContact O-N 3.4Å; L12-L16 PolarHBondContact O-N 3.48Å; L12-L16 VanDerWaalsContact O-N 3.13Å |
| 13 | L | 90.9 | Very high | 83.3 | Confident | 108 Ų | 108 | 100.2 Ų | 100.2 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -63 | -42.8 | 178.4 | -166.8 | 77.2 | 0 | 0 | 0 | 111.8 | L9 L10 L16 L17 | L9-L13 WeakPolarHBondContact O-CB 3.36Å; L9-L13 PolarHBondContact O-N 2.86Å; L10-L13 PolarHBondContact O-N 2.65Å; L13-L16 WeakPolarHBondContact O-CB 2.93Å; L13-L16 PolarHBondContact O-N 2.74Å; L13-L17 HydrophobicContact CG-CD1 4.19Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 PolarHBondContact O-N 3.2Å |
| 14 | L | 90.4 | Very high | 82.7 | Confident | 90 Ų | 90 | 106.3 Ų | 106.3 | 47% | 0.471 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -62.1 | -45.3 | 177.4 | -103.9 | 145.8 | 0 | 0 | 0 | 112.3 | L10 L11 L16 L17 L18 | L10-L14 HydrophobicContact CD2-CD1 4.36Å; L10-L14 WeakPolarHBondContact O-CB 3.25Å; L10-L14 PolarHBondContact O-N 2.91Å; L11-L14 PolarHBondContact O-N 3.3Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.24Å; L14-L17 PolarHBondContact O-N 2.92Å; L14-L18 HydrophobicContact CD2-CD1 4.1Å; L14-L18 VanDerWaalsContact O-CD1 3.27Å; L14-L18 WeakPolarHBondContact O-CD1 3.48Å; L14-L18 PolarHBondContact O-N 3.47Å |
| 15 | L | 89.1 | Confident | 81.9 | Confident | 113 Ų | 113 | 102.7 Ų | 102.7 | 59% | 0.592 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -60.9 | -40.2 | 176.5 | -75.2 | 163.3 | 0 | 0 | 0 | 111.8 | L11 L12 L18 G19 | L11-L15 WeakPolarHBondContact O-CG 3.24Å; L11-L15 PolarHBondContact O-N 2.86Å; L12-L15 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-G19 PolarHBondContact O-N 3Å |
| 16 | L | 87.6 | Confident | 80.8 | Confident | 129 Ų | 129 | 106.3 Ų | 106.3 | 68% | 0.675 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -64.1 | -43.1 | 177.3 | -144.8 | 83 | 0 | 0 | 0 | 111.7 | L12 L13 L14 G19 S20 | L12-L16 PolarHBondContact O-N 3.48Å; L12-L16 VanDerWaalsContact O-N 3.13Å; L13-L16 WeakPolarHBondContact O-CB 2.93Å; L13-L16 PolarHBondContact O-N 2.74Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 3.24Å; L16-G19 PolarHBondContact O-N 3.03Å; L16-S20 WeakPolarHBondContact O-CB 3.18Å; L16-S20 PolarHBondContact O-N 3.44Å |
| 17 | L | 86.6 | Confident | 79.6 | Confident | 96 Ų | 96 | 105.4 Ų | 105.4 | 50% | 0.503 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -65.1 | -43.4 | 176.8 | -80.6 | 155.7 | 0 | 0 | 0 | 112.1 | L13 L14 S20 M21 | L13-L17 HydrophobicContact CG-CD1 4.19Å; L13-L17 WeakPolarHBondContact O-CD1 3.46Å; L13-L17 PolarHBondContact O-N 3.2Å; L14-L17 PolarHBondContact O-N 2.92Å; L17-S20 PolarHBondContact O-N 2.91Å; L17-M21 PolarHBondContact O-N 3.28Å |
| 18 | L | 86.3 | Confident | 78.2 | Confident | 109 Ų | 109 | 109.3 Ų | 109.3 | 57% | 0.571 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.1 | -44.1 | 175.9 | -96.9 | 71.6 | 0 | 0 | 0 | 111.4 | L14 L15 S20 M21 A22 | L14-L18 HydrophobicContact CD2-CD1 4.1Å; L14-L18 VanDerWaalsContact O-CD1 3.27Å; L14-L18 WeakPolarHBondContact O-CD1 3.48Å; L14-L18 PolarHBondContact O-N 3.47Å; L15-L18 PolarHBondContact O-N 3.42Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 3.32Å; L18-M21 PolarHBondContact O-N 3.47Å; L18-A22 VanDerWaalsContact O-CB 3.25Å; L18-A22 WeakPolarHBondContact O-CB 3.27Å; L18-A22 PolarHBondContact O-N 3.46Å |
| 19 | G | 81.9 | Confident | 76.8 | Confident | 46 Ų | 46 | 113 Ų | 113 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.3 | -37.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L15 L16 G23 | L15-G19 PolarHBondContact O-N 3Å; L16-G19 PolarHBondContact O-N 3.03Å; G19-G23 PolarHBondContact O-N 3.13Å |
| 20 | S | 74.8 | Confident | 75.2 | Confident | 57 Ų | 57 | 114 Ų | 114 | 40% | 0.399 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.9 | -51.8 | 173.1 | -125.6 | 0 | 0 | 0 | 0 | 111.2 | L16 L17 L18 A22 G23 Y24 | L16-S20 WeakPolarHBondContact O-CB 3.18Å; L16-S20 PolarHBondContact O-N 3.44Å; L17-S20 PolarHBondContact O-N 2.91Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 3.32Å; S20-A22 VanDerWaalsContact C-N 3.25Å; S20-A22 PolarHBondContact O-N 2.93Å; S20-G23 PolarHBondContact O-N 3.48Å; S20-Y24 WeakPolarHBondContact O-CA 3.48Å; S20-Y24 VanDerWaalsContact O-CB 3.25Å; S20-Y24 WeakPolarHBondContact O-CB 3.25Å; S20-Y24 WeakPolarHBondContact O-CD2 3.48Å; S20-Y24 PolarHBondContact O-N 3.23Å |
| 21 | M | 71.9 | Confident | 73.6 | Confident | 151 Ų | 151 | 115.5 Ų | 115.5 | 74% | 0.744 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -64.1 | -30 | -179.8 | -70.9 | -175.9 | 72.1 | 0 | 0 | 113.3 | L17 L18 Y24 G25 | L17-M21 PolarHBondContact O-N 3.28Å; L18-M21 PolarHBondContact O-N 3.47Å; M21-Y24 CarbonylContact O-C 3.4Å; M21-G25 PolarHBondContact O-N 2.95Å |
| 22 | A | 72.1 | Confident | 72 | Confident | 83 Ų | 83 | 117.1 Ų | 117.1 | 69% | 0.686 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.5 | -36.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L18 S20 | L18-A22 VanDerWaalsContact O-CB 3.25Å; L18-A22 WeakPolarHBondContact O-CB 3.27Å; L18-A22 PolarHBondContact O-N 3.46Å; S20-A22 VanDerWaalsContact C-N 3.25Å; S20-A22 PolarHBondContact O-N 2.93Å |
| 23 | G | 65.8 | Low | 70.6 | Confident | 68 Ų | 68 | 115.6 Ų | 115.6 | 70% | 0.701 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -80 | -27.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | G19 S20 G25 | G19-G23 PolarHBondContact O-N 3.13Å; S20-G23 PolarHBondContact O-N 3.48Å; G23-G25 VanDerWaalsContact C-N 3.27Å; G23-G25 PolarHBondContact O-N 3.34Å |
| 24 | Y | 59.4 | Low | 69 | Low | 175 Ų | 175 | 118.2 Ų | 118.2 | 69% | 0.686 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 45 | 167 | -67.8 | -89.5 | 0 | 0 | 0 | 109.8 | S20 M21 | S20-Y24 WeakPolarHBondContact O-CA 3.48Å; S20-Y24 VanDerWaalsContact O-CB 3.25Å; S20-Y24 WeakPolarHBondContact O-CB 3.25Å; S20-Y24 WeakPolarHBondContact O-CD2 3.48Å; S20-Y24 PolarHBondContact O-N 3.23Å; M21-Y24 CarbonylContact O-C 3.4Å |
| 25 | G | 60.5 | Low | 67 | Low | 37 Ų | 37 | 123.5 Ų | 123.5 | 38% | 0.381 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -48.7 | 141.5 | 153.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | M21 G23 Q27 | M21-G25 PolarHBondContact O-N 2.95Å; G23-G25 VanDerWaalsContact C-N 3.27Å; G23-G25 PolarHBondContact O-N 3.34Å; G25-Q27 PolarHBondContact O-N 3.49Å |
| 26 | P | 59.6 | Low | 65.5 | Low | 121 Ų | 121 | 127.6 Ų | 127.6 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | | | trans | -47.6 | 106.6 | -167.4 | 20.3 | -32.2 | 0 | 0 | 0 | 106.8 | K28 | P26-K28 PolarHBondContact O-N 2.95Š|
| 27 | Q | 60.8 | Low | 63.9 | Low | 178 Ų | 178 | 130 Ų | 130 | 83% | 0.832 | 69% | 0.693 | S | S | * | * | | | trans | -70 | 81.7 | 174.7 | -164.1 | -168.9 | 12.3 | 0 | 0 | 101.5 | G25 K29 | G25-Q27 PolarHBondContact O-N 3.49Å; Q27-K29 PolarHBondContact O-N 3.49Å |
| 28 | K | 57.2 | Low | 62.5 | Low | 179 Ų | 179 | 132.8 Ų | 132.8 | 78% | 0.778 | 71% | 0.708 | S | S | * | * | | | trans | -62.2 | 93.3 | -177.2 | -159.4 | 170.8 | -172.1 | 175.9 | 0 | 99.7 | P26 L30 | P26-K28 PolarHBondContact O-N 2.95Å; K28-L30 PolarHBondContact O-N 3.36Å |
| 29 | K | 57.2 | Low | 60.9 | Low | 197 Ų | 197 | 138.9 Ų | 138.9 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | | | trans | -61 | 87.2 | 171.9 | -139.8 | -173.1 | -171.7 | -156.8 | 0 | 100.8 | Q27 N31 | Q27-K29 PolarHBondContact O-N 3.49Å; K29-N31 PolarHBondContact O-N 3.34Å |
| 30 | L | 57.3 | Low | 59.7 | Low | 132 Ų | 132 | 146 Ų | 146 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | | | trans | -57.9 | 98.4 | 171.1 | -95 | 165.4 | 0 | 0 | 0 | 100.9 | K28 L32 | K28-L30 PolarHBondContact O-N 3.36Å; L30-L32 HydrophobicContact CB-CD1 4.32Å; L30-L32 HydrophobicContact CB-CG 4.4Å; L30-L32 PolarHBondContact O-N 3.37Å |
| 31 | N | 56 | Low | 58.9 | Low | 139 Ų | 139 | 148 Ų | 148 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | -67.2 | 69.7 | 168 | -144.7 | -16.3 | 0 | 0 | 0 | 104.2 | K29 S33 | K29-N31 PolarHBondContact O-N 3.34Å; N31-S33 PolarHBondContact O-N 3.06Å; N31-S33 WeakPolarHBondContact OD1-CB 3.48Å |
| 32 | L | 56.8 | Low | 58.1 | Low | 141 Ų | 141 | 147.8 Ų | 147.8 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | | | trans | -71.7 | 19 | 157.8 | -82.3 | 161.7 | 0 | 0 | 0 | 109.3 | L30 H34 | L30-L32 HydrophobicContact CB-CD1 4.32Å; L30-L32 HydrophobicContact CB-CG 4.4Å; L30-L32 PolarHBondContact O-N 3.37Å; L32-H34 PolarHBondContact O-N 2.95Å; L32-H34 PolarHBondContact O-ND1 3.31Å |
| 33 | S | 60.1 | Low | 57.5 | Low | 78 Ų | 78 | 152.8 Ų | 152.8 | 55% | 0.545 | 75% | 0.754 | S | S | . | * | | | trans | -64.7 | 84.8 | 153.3 | -161.3 | 0 | 0 | 0 | 0 | 108.7 | N31 | N31-S33 PolarHBondContact O-N 3.06Å; N31-S33 WeakPolarHBondContact OD1-CB 3.48Å |
| 34 | H | 56.8 | Low | 57.2 | Low | 163 Ų | 163 | 156.4 Ų | 156.4 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | | | | 63.4 | 69.6 | 118.5 | -59.7 | 8.6 | 0 | 0 | 0 | 115 | L32 | L32-H34 PolarHBondContact O-N 2.95Å; L32-H34 PolarHBondContact O-ND1 3.31Å |
| 35 | K | 48.7 | Very low | 57.5 | Low | 201 Ų | 201 | 151 Ų | 151 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | | | trans | -135.2 | 95.6 | 141.6 | -82.7 | -161.9 | 176 | -177.1 | 0 | 111.2 | L37 | K35-L37 PolarHBondContact O-N 3.01Š|
| 36 | K | 58.9 | Low | 56.7 | Low | 200 Ų | 200 | 165.2 Ų | 165.2 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | | | | 31.3 | 73.2 | 126.9 | -70.5 | 179.2 | 177.1 | -178.3 | 0 | 113.6 | L38 | K36-L38 PolarHBondContact O-N 3.37Š|
| 37 | L | 53.3 | Low | 56.5 | Low | 179 Ų | 179 | 167.4 Ų | 167.4 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | | | trans | -74.9 | 95 | 151 | -153.9 | 88.1 | 0 | 0 | 0 | 105.7 | K35 | K35-L37 PolarHBondContact O-N 3.01Š|
| 38 | L | 56.9 | Low | 56.3 | Low | 155 Ų | 155 | 166.8 Ų | 166.8 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | | | trans | 8.6 | 113.5 | 162.3 | -100.7 | 69.5 | 0 | 0 | 0 | 115.2 | K36 K40 | K36-L38 PolarHBondContact O-N 3.37Å; L38-K40 PolarHBondContact O-N 3.42Å |
| 39 | R | 53.8 | Low | 56.2 | Low | 236 Ų | 236 | 166.2 Ų | 166.2 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -30.6 | 125.2 | 151.9 | -70.2 | -178.8 | 175.5 | 176 | -2.8 | 109.9 | P41 | R39-P41 VanDerWaalsContact O-CD 3.23Å; R39-P41 WeakPolarHBondContact O-CD 3.46Å |
| 40 | K | 55.5 | Low | 56.2 | Low | 197 Ų | 197 | 164.4 Ų | 164.4 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | | | trans | -56.3 | 122.5 | 152.1 | -71.7 | -164.3 | 176.9 | -161.6 | 0 | 107.1 | L38 K42 | L38-K40 PolarHBondContact O-N 3.42Å; K40-K42 PolarHBondContact O-N 3.03Å |
| 41 | P | 57.7 | Low | 56.1 | Low | 97 Ų | 97 | 166.4 Ų | 166.4 | 63% | 0.63 | 79% | 0.794 | S | S | * | * | | | trans | -72.3 | 107.7 | 146 | 29.6 | -23.9 | 0 | 0 | 0 | 105.6 | R39 F43 | R39-P41 VanDerWaalsContact O-CD 3.23Å; R39-P41 WeakPolarHBondContact O-CD 3.46Å; P41-F43 VanDerWaalsContact C-N 3.32Å; P41-F43 HydrophobicContact CB-CD2 4.22Å; P41-F43 HydrophobicContact CB-CE2 4.12Å; P41-F43 HydrophobicContact CG-CD2 4.27Å; P41-F43 HydrophobicContact CG-CE2 4.02Å; P41-F43 PolarHBondContact O-N 3.36Å |
| 42 | K | 55.5 | Low | 56.1 | Low | 147 Ų | 147 | 168.2 Ų | 168.2 | 64% | 0.639 | 80% | 0.797 | S | S | * | * | | | trans | -59.7 | 100.9 | 157.5 | -173.8 | -173.3 | -173.7 | -154.5 | 0 | 105.4 | K40 E44 | K40-K42 PolarHBondContact O-N 3.03Å; K42-E44 VanDerWaalsContact C-N 3.3Å; K42-E44 HydrophobicContact CD-CG 4.22Å; K42-E44 VanDerWaalsContact CE-OE1 3.24Å; K42-E44 WeakPolarHBondContact CE-OE1 3.44Å; K42-E44 WeakPolarHBondContact CE-OE2 3.43Å; K42-E44 HydrophobicContact CG-CG 4.19Å; K42-E44 IonicContact NZ-OE1 2.66Å; K42-E44 PolarHBondContact NZ-OE1 3.47Å; K42-E44 IonicContact NZ-OE2 2.87Å; K42-E44 PolarHBondContact NZ-OE2 3.25Å; K42-E44 PolarHBondContact O-N 2.97Å; K42-E44 VanDerWaalsContact O-N 3.12Å |
| 43 | F | 58.7 | Low | 56.1 | Low | 189 Ų | 189 | 170.1 Ų | 170.1 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | | | trans | -76.4 | 92.4 | 165.9 | -88.3 | -85.4 | 0 | 0 | 0 | 106.8 | P41 | P41-F43 VanDerWaalsContact C-N 3.32Å; P41-F43 HydrophobicContact CB-CD2 4.22Å; P41-F43 HydrophobicContact CB-CE2 4.12Å; P41-F43 HydrophobicContact CG-CD2 4.27Å; P41-F43 HydrophobicContact CG-CE2 4.02Å; P41-F43 PolarHBondContact O-N 3.36Å |
| 44 | E | 61 | Low | 55.8 | Low | 143 Ų | 143 | 177.2 Ų | 177.2 | 67% | 0.668 | 82% | 0.821 | S | S | * | * | | | trans | -89.1 | 129.9 | 157.6 | -90.1 | 174.9 | 150.4 | 0 | 0 | 108.2 | K42 | K42-E44 VanDerWaalsContact C-N 3.3Å; K42-E44 HydrophobicContact CD-CG 4.22Å; K42-E44 VanDerWaalsContact CE-OE1 3.24Å; K42-E44 WeakPolarHBondContact CE-OE1 3.44Å; K42-E44 WeakPolarHBondContact CE-OE2 3.43Å; K42-E44 HydrophobicContact CG-CG 4.19Å; K42-E44 IonicContact NZ-OE1 2.66Å; K42-E44 PolarHBondContact NZ-OE1 3.47Å; K42-E44 IonicContact NZ-OE2 2.87Å; K42-E44 PolarHBondContact NZ-OE2 3.25Å; K42-E44 PolarHBondContact O-N 2.97Å; K42-E44 VanDerWaalsContact O-N 3.12Å |
| 45 | G | 64.4 | Low | 55.7 | Low | 63 Ų | 63 | 178.4 Ų | 178.4 | 65% | 0.649 | 83% | 0.827 | S | S | * | * | | | trans | 83.7 | 128.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 46 | W | 43.8 | Very low | 56.3 | Low | 334 Ų | 334 | 176.4 Ų | 176.4 | 100% | 1.265 | 82% | 0.822 | S | S | * | * | | | cis | -145.5 | 0 | 20.4 | -87.7 | 61.7 | 0 | 0 | 0 | 109.3 | | |