| 1 | M | 56.9 | Low | 76 | Confident | 211 Ų | 211 | 115.5 Ų | 115.5 | 100% | 1.039 | 61% | 0.614 | S | S | * | * | | | | 0 | -59.1 | 0 | -67.2 | -80.5 | -144 | 0 | 0 | 112.2 | A3 L4 | M1-A3 PolarHBondContact O-N 2.83Å; M1-L4 PolarHBondContact O-N 3.3Å |
| 2 | A | 69.7 | Low | 76.5 | Confident | 66 Ų | 66 | 115.6 Ų | 115.6 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.1 | -28.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116 | L4 T5 L6 | A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.46Å; A2-T5 PolarHBondContact O-N 3.34Å; A2-T5 PolarHBondContact O-OG1 3.23Å; A2-L6 VanDerWaalsContact O-CG 3.31Å; A2-L6 WeakPolarHBondContact O-CG 3.44Å; A2-L6 PolarHBondContact O-N 2.97Å; A2-L6 VanDerWaalsContact O-N 3.09Å |
| 3 | A | 66.5 | Low | 76.7 | Confident | 76 Ų | 76 | 114.2 Ų | 114.2 | 63% | 0.628 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68.4 | -31.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M1 R7 | M1-A3 PolarHBondContact O-N 2.83Å; A3-R7 WeakPolarHBondContact O-CB 3.31Å; A3-R7 PolarHBondContact O-N 3.36Å; A3-R7 VanDerWaalsContact O-N 3.15Å |
| 4 | L | 74.3 | Confident | 76.6 | Confident | 135 Ų | 135 | 112.5 Ų | 112.5 | 71% | 0.707 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -75.3 | -36.7 | 178.6 | -66.1 | 173.7 | 0 | 0 | 0 | 111.2 | M1 A2 R7 G8 | M1-L4 PolarHBondContact O-N 3.3Å; A2-L4 VanDerWaalsContact C-N 3.33Å; A2-L4 PolarHBondContact O-N 3.46Å; L4-R7 PolarHBondContact O-N 3.15Å; L4-G8 PolarHBondContact O-N 3.45Å |
| 5 | T | 80.1 | Confident | 76.3 | Confident | 86 Ų | 86 | 116.8 Ų | 116.8 | 53% | 0.528 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.8 | -43 | 176.2 | 59.3 | 0 | 0 | 0 | 0 | 111.1 | A2 R7 G8 V9 | A2-T5 PolarHBondContact O-N 3.34Å; A2-T5 PolarHBondContact O-OG1 3.23Å; T5-R7 VanDerWaalsContact C-N 3.3Å; T5-R7 PolarHBondContact O-N 3.09Å; T5-G8 PolarHBondContact O-N 3.04Å; T5-V9 WeakPolarHBondContact O-CB 3.26Å; T5-V9 VanDerWaalsContact O-CG2 3.26Å; T5-V9 WeakPolarHBondContact O-CG2 3.23Å; T5-V9 PolarHBondContact O-N 3.44Å |
| 6 | L | 77.1 | Confident | 76 | Confident | 121 Ų | 121 | 114.9 Ų | 114.9 | 63% | 0.634 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.3 | -37 | 174.5 | -69.6 | 174.7 | 0 | 0 | 0 | 112.4 | A2 R10 | A2-L6 VanDerWaalsContact O-CG 3.31Å; A2-L6 WeakPolarHBondContact O-CG 3.44Å; A2-L6 PolarHBondContact O-N 2.97Å; A2-L6 VanDerWaalsContact O-N 3.09Å; L6-R10 VanDerWaalsContact O-CB 3.23Å; L6-R10 WeakPolarHBondContact O-CB 3.34Å; L6-R10 PolarHBondContact O-N 3.39Å |
| 7 | R | 78.4 | Confident | 75 | Confident | 195 Ų | 195 | 113.4 Ų | 113.4 | 74% | 0.736 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -67.6 | -40.6 | 175.8 | -165.8 | 172.8 | -176.5 | 178.4 | 0.1 | 111.8 | A3 L4 T5 E11 | A3-R7 WeakPolarHBondContact O-CB 3.31Å; A3-R7 PolarHBondContact O-N 3.36Å; A3-R7 VanDerWaalsContact O-N 3.15Å; L4-R7 PolarHBondContact O-N 3.15Å; T5-R7 VanDerWaalsContact C-N 3.3Å; T5-R7 PolarHBondContact O-N 3.09Å; R7-E11 PolarHBondContact O-N 2.87Å |
| 8 | G | 84.6 | Confident | 74 | Confident | 37 Ų | 37 | 115.1 Ų | 115.1 | 38% | 0.381 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.9 | -46.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | L4 T5 R10 E11 L12 | L4-G8 PolarHBondContact O-N 3.45Å; T5-G8 PolarHBondContact O-N 3.04Å; G8-R10 VanDerWaalsContact C-N 3.35Å; G8-R10 PolarHBondContact O-N 3.17Å; G8-E11 PolarHBondContact O-N 3.22Å; G8-L12 PolarHBondContact O-N 2.98Å |
| 9 | V | 84.1 | Confident | 73.3 | Confident | 81 Ų | 81 | 113.4 Ų | 113.4 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.8 | -41.1 | 178 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | T5 E11 L12 L13 | T5-V9 WeakPolarHBondContact O-CB 3.26Å; T5-V9 VanDerWaalsContact O-CG2 3.26Å; T5-V9 WeakPolarHBondContact O-CG2 3.23Å; T5-V9 PolarHBondContact O-N 3.44Å; V9-E11 VanDerWaalsContact C-N 3.28Å; V9-E11 PolarHBondContact O-N 2.92Å; V9-L12 PolarHBondContact O-N 3.11Å; V9-L13 HydrophobicContact CG1-CD1 3.75Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 PolarHBondContact O-N 3.25Å |
| 10 | R | 81.6 | Confident | 72.5 | Confident | 177 Ų | 177 | 112 Ų | 112 | 67% | 0.668 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.1 | -34.7 | 176.1 | -171.3 | 176.1 | -173.9 | -173.2 | 1.7 | 112.6 | L6 G8 K14 | L6-R10 VanDerWaalsContact O-CB 3.23Å; L6-R10 WeakPolarHBondContact O-CB 3.34Å; L6-R10 PolarHBondContact O-N 3.39Å; G8-R10 VanDerWaalsContact C-N 3.35Å; G8-R10 PolarHBondContact O-N 3.17Å; R10-K14 WeakPolarHBondContact O-CG 3.46Å; R10-K14 PolarHBondContact O-N 3.33Å; R10-K14 VanDerWaalsContact O-N 3.11Å |
| 11 | E | 82.6 | Confident | 71.7 | Confident | 86 Ų | 86 | 110.6 Ų | 110.6 | 40% | 0.402 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -76.1 | -34.3 | 179.6 | -155.6 | 60.3 | -162.1 | 0 | 0 | 112.1 | R7 G8 V9 K14 R15 | R7-E11 PolarHBondContact O-N 2.87Å; G8-E11 PolarHBondContact O-N 3.22Å; V9-E11 VanDerWaalsContact C-N 3.28Å; V9-E11 PolarHBondContact O-N 2.92Å; E11-K14 IonicContact OE2-NZ 2.84Å; E11-K14 PolarHBondContact OE2-NZ 3Å; E11-R15 WeakPolarHBondContact O-CG 3.41Å; E11-R15 PolarHBondContact O-N 3.38Å |
| 12 | L | 81.6 | Confident | 71.5 | Confident | 116 Ų | 116 | 105.4 Ų | 105.4 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65 | -46.4 | 170.5 | -73.4 | 167.3 | 0 | 0 | 0 | 111.6 | G8 V9 K14 R15 V16 | G8-L12 PolarHBondContact O-N 2.98Å; V9-L12 PolarHBondContact O-N 3.11Å; L12-K14 VanDerWaalsContact C-N 3.34Å; L12-K14 PolarHBondContact O-N 3.14Å; L12-R15 PolarHBondContact O-N 3.41Å; L12-R15 VanDerWaalsContact O-N 3.14Å; L12-V16 WeakPolarHBondContact O-CG2 3.12Å; L12-V16 PolarHBondContact O-N 2.84Å |
| 13 | L | 79.4 | Confident | 71 | Confident | 97 Ų | 97 | 113.7 Ų | 113.7 | 51% | 0.508 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -58.9 | -43 | 177.1 | -84.1 | 155.3 | 0 | 0 | 0 | 112.1 | V9 R15 V16 D17 | V9-L13 HydrophobicContact CG1-CD1 3.75Å; V9-L13 WeakPolarHBondContact O-CB 3.45Å; V9-L13 PolarHBondContact O-N 3.25Å; L13-R15 VanDerWaalsContact C-N 3.33Å; L13-R15 PolarHBondContact O-N 2.76Å; L13-V16 PolarHBondContact O-N 2.79Å; L13-D17 VanDerWaalsContact O-CB 3.31Å; L13-D17 WeakPolarHBondContact O-CB 3.43Å; L13-D17 PolarHBondContact O-N 2.9Å |
| 14 | K | 75.9 | Confident | 70.5 | Confident | 91 Ų | 91 | 120.9 Ų | 120.9 | 40% | 0.396 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.2 | -39.6 | 175.1 | -73.7 | 174.3 | -167.2 | 162.9 | 0 | 113.1 | R10 E11 L12 V16 L18 | R10-K14 WeakPolarHBondContact O-CG 3.46Å; R10-K14 PolarHBondContact O-N 3.33Å; R10-K14 VanDerWaalsContact O-N 3.11Å; E11-K14 IonicContact OE2-NZ 2.84Å; E11-K14 PolarHBondContact OE2-NZ 3Å; L12-K14 VanDerWaalsContact C-N 3.34Å; L12-K14 PolarHBondContact O-N 3.14Å; K14-V16 VanDerWaalsContact C-N 3.34Å; K14-L18 VanDerWaalsContact O-CB 3.27Å; K14-L18 WeakPolarHBondContact O-CB 3.4Å; K14-L18 WeakPolarHBondContact O-CD1 3.16Å; K14-L18 WeakPolarHBondContact O-CG 3.47Å; K14-L18 PolarHBondContact O-N 2.91Å |
| 15 | R | 71.9 | Confident | 69.7 | Low | 177 Ų | 177 | 122.5 Ų | 122.5 | 67% | 0.668 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -68.1 | -38.2 | 179 | -71.5 | 178.8 | -177.2 | -160.8 | 0.3 | 111.3 | E11 L12 L13 A19 | E11-R15 WeakPolarHBondContact O-CG 3.41Å; E11-R15 PolarHBondContact O-N 3.38Å; L12-R15 PolarHBondContact O-N 3.41Å; L12-R15 VanDerWaalsContact O-N 3.14Å; L13-R15 VanDerWaalsContact C-N 3.33Å; L13-R15 PolarHBondContact O-N 2.76Å; R15-A19 WeakPolarHBondContact O-CB 3.48Å; R15-A19 PolarHBondContact O-N 3.38Å |
| 16 | V | 71.1 | Confident | 68.6 | Low | 86 Ų | 86 | 129.9 Ų | 129.9 | 52% | 0.521 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.9 | -47.3 | 174.6 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | L12 L13 K14 L18 A19 T20 | L12-V16 WeakPolarHBondContact O-CG2 3.12Å; L12-V16 PolarHBondContact O-N 2.84Å; L13-V16 PolarHBondContact O-N 2.79Å; K14-V16 VanDerWaalsContact C-N 3.34Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 3.03Å; V16-A19 CarbonylContact O-C 3.54Å; V16-A19 WeakPolarHBondContact O-CA 3.47Å; V16-A19 WeakPolarHBondContact O-CB 3.31Å; V16-A19 PolarHBondContact O-N 3.28Å; V16-T20 HydrophobicContact CG1-CG2 4.04Å; V16-T20 WeakPolarHBondContact O-CB 3.42Å; V16-T20 WeakPolarHBondContact O-CG2 3.47Å; V16-T20 PolarHBondContact O-N 3.4Å; V16-T20 PolarHBondContact O-OG1 3.2Å |
| 17 | D | 59.6 | Low | 67.7 | Low | 89 Ų | 89 | 133 Ų | 133 | 48% | 0.476 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61 | -37.5 | 177.3 | -82.2 | -32.9 | 0 | 0 | 0 | 112.7 | L13 A19 T20 V21 | L13-D17 VanDerWaalsContact O-CB 3.31Å; L13-D17 WeakPolarHBondContact O-CB 3.43Å; L13-D17 PolarHBondContact O-N 2.9Å; D17-A19 VanDerWaalsContact C-N 3.29Å; D17-A19 PolarHBondContact O-N 3.44Å; D17-T20 VanDerWaalsContact CA-OG1 3.29Å; D17-T20 WeakPolarHBondContact CA-OG1 3.19Å; D17-T20 PolarHBondContact O-N 3.49Å; D17-T20 PolarHBondContact O-OG1 3.49Å; D17-V21 WeakPolarHBondContact O-CB 3.27Å; D17-V21 WeakPolarHBondContact O-CG2 2.89Å; D17-V21 PolarHBondContact O-N 2.84Å |
| 18 | L | 57 | Low | 66.6 | Low | 144 Ų | 144 | 133 Ų | 133 | 75% | 0.754 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -70.5 | -27.1 | 175 | -72.7 | 169.2 | 0 | 0 | 0 | 112.6 | K14 V16 | K14-L18 VanDerWaalsContact O-CB 3.27Å; K14-L18 WeakPolarHBondContact O-CB 3.4Å; K14-L18 WeakPolarHBondContact O-CD1 3.16Å; K14-L18 WeakPolarHBondContact O-CG 3.47Å; K14-L18 PolarHBondContact O-N 2.91Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 3.03Å |
| 19 | A | 59.4 | Low | 65.6 | Low | 83 Ų | 83 | 138.7 Ų | 138.7 | 69% | 0.686 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -82.7 | -33.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R15 V16 D17 | R15-A19 WeakPolarHBondContact O-CB 3.48Å; R15-A19 PolarHBondContact O-N 3.38Å; V16-A19 CarbonylContact O-C 3.54Å; V16-A19 WeakPolarHBondContact O-CA 3.47Å; V16-A19 WeakPolarHBondContact O-CB 3.31Å; V16-A19 PolarHBondContact O-N 3.28Å; D17-A19 VanDerWaalsContact C-N 3.29Å; D17-A19 PolarHBondContact O-N 3.44Å |
| 20 | T | 57.7 | Low | 64.4 | Low | 86 Ų | 86 | 144.6 Ų | 144.6 | 53% | 0.528 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -90.6 | -19.1 | -177.6 | 54.6 | 0 | 0 | 0 | 0 | 113.8 | V16 D17 P22 | V16-T20 HydrophobicContact CG1-CG2 4.04Å; V16-T20 WeakPolarHBondContact O-CB 3.42Å; V16-T20 WeakPolarHBondContact O-CG2 3.47Å; V16-T20 PolarHBondContact O-N 3.4Å; V16-T20 PolarHBondContact O-OG1 3.2Å; D17-T20 VanDerWaalsContact CA-OG1 3.29Å; D17-T20 WeakPolarHBondContact CA-OG1 3.19Å; D17-T20 PolarHBondContact O-N 3.49Å; D17-T20 PolarHBondContact O-OG1 3.49Å; T20-P22 WeakPolarHBondContact O-CD 3.29Å |
| 21 | V | 55.3 | Low | 63.1 | Low | 83 Ų | 83 | 146.5 Ų | 146.5 | 50% | 0.503 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -88.4 | 94.6 | 167.7 | -179.7 | 0 | 0 | 0 | 0 | 107 | D17 R23 | D17-V21 WeakPolarHBondContact O-CB 3.27Å; D17-V21 WeakPolarHBondContact O-CG2 2.89Å; D17-V21 PolarHBondContact O-N 2.84Å; V21-R23 PolarHBondContact O-N 2.64Å |
| 22 | P | 52.5 | Low | 62.2 | Low | 101 Ų | 101 | 148 Ų | 148 | 66% | 0.656 | 69% | 0.69 | S | S | * | * | | | trans | -54.5 | 115.7 | 165.6 | 23.1 | -31.5 | 0 | 0 | 0 | 105.6 | T20 R24 | T20-P22 WeakPolarHBondContact O-CD 3.29Å; P22-R24 WeakPolarHBondContact O-CA 3.44Å; P22-R24 WeakPolarHBondContact O-CG 3.5Å; P22-R24 PolarHBondContact O-N 2.88Å |
| 23 | R | 59.7 | Low | 61.4 | Low | 241 Ų | 241 | 145.8 Ų | 145.8 | 91% | 0.909 | 70% | 0.696 | S | S | * | * | | | trans | -47.9 | 90.8 | 178.1 | -174.2 | 178.7 | -174.1 | 162.6 | 0.4 | 106.7 | V21 H25 | V21-R23 PolarHBondContact O-N 2.64Å; R23-H25 VanDerWaalsContact C-N 3.34Å; R23-H25 PolarHBondContact O-N 2.75Å |
| 24 | R | 56.5 | Low | 60.3 | Low | 226 Ų | 226 | 152 Ų | 152 | 85% | 0.853 | 71% | 0.713 | S | S | * | * | | | trans | -56.8 | 105.4 | -170.5 | -73.2 | -173.6 | 179.9 | -167.1 | 0.3 | 105.1 | P22 R26 | P22-R24 WeakPolarHBondContact O-CA 3.44Å; P22-R24 WeakPolarHBondContact O-CG 3.5Å; P22-R24 PolarHBondContact O-N 2.88Å; R24-R26 VanDerWaalsContact C-N 3.3Å; R24-R26 PolarHBondContact O-N 2.8Å |
| 25 | H | 56.9 | Low | 59.4 | Low | 170 Ų | 170 | 153.4 Ų | 153.4 | 79% | 0.787 | 73% | 0.73 | S | S | * | * | | | trans | -56.6 | 105.6 | 176.4 | -175.6 | -86.5 | 0 | 0 | 0 | 104.4 | R23 Y27 | R23-H25 VanDerWaalsContact C-N 3.34Å; R23-H25 PolarHBondContact O-N 2.75Å; H25-Y27 PolarHBondContact O-N 2.7Å |
| 26 | R | 58.2 | Low | 58.5 | Low | 241 Ų | 241 | 153.6 Ų | 153.6 | 91% | 0.909 | 74% | 0.739 | S | S | * | * | | | trans | -70.6 | 84.2 | -172.9 | -153 | -179.1 | -166.7 | -169 | 4.5 | 105.1 | R24 K28 | R24-R26 VanDerWaalsContact C-N 3.3Å; R24-R26 PolarHBondContact O-N 2.8Å; R26-K28 PolarHBondContact O-N 3.49Å |
| 27 | Y | 57.8 | Low | 57.4 | Low | 185 Ų | 185 | 154.8 Ų | 154.8 | 73% | 0.725 | 75% | 0.748 | S | S | * | * | | | trans | -55.3 | 108.3 | 179.3 | -178.6 | -94.7 | 0 | 0 | 0 | 106.4 | H25 K29 | H25-Y27 PolarHBondContact O-N 2.7Å; Y27-K29 HydrophobicContact CD1-CG 4.01Å; Y27-K29 HydrophobicContact CE1-CG 4.3Å; Y27-K29 PolarHBondContact O-N 2.9Å |
| 28 | K | 54.8 | Low | 56.8 | Low | 196 Ų | 196 | 154.5 Ų | 154.5 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | | | trans | -70.4 | 88.9 | -177.3 | -157.5 | -169 | -171.4 | -168.7 | 0 | 105.9 | R26 K30 | R26-K28 PolarHBondContact O-N 3.49Å; K28-K30 PolarHBondContact O-N 2.83Å |
| 29 | K | 63.1 | Low | 56.6 | Low | 157 Ų | 157 | 156.7 Ų | 156.7 | 68% | 0.683 | 76% | 0.76 | S | S | * | * | | | trans | -55.3 | 110.4 | 170 | -74 | -170.6 | 177.6 | -174.1 | 0 | 106.5 | Y27 W31 | Y27-K29 HydrophobicContact CD1-CG 4.01Å; Y27-K29 HydrophobicContact CE1-CG 4.3Å; Y27-K29 PolarHBondContact O-N 2.9Å; K29-W31 PolarHBondContact O-N 2.92Å |
| 30 | K | 59.7 | Low | 56.4 | Low | 204 Ų | 204 | 158.8 Ų | 158.8 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | | | trans | -69.2 | 101.4 | 171.9 | -161.8 | -175.5 | -174.8 | -162 | 0 | 104.9 | K28 | K28-K30 PolarHBondContact O-N 2.83Š|
| 31 | W | 55 | Low | 56 | Low | 217 Ų | 217 | 160.4 Ų | 160.4 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 134.1 | 169.9 | -63.9 | 97.1 | 0 | 0 | 0 | 107.4 | K29 G33 | K29-W31 PolarHBondContact O-N 2.92Å; W31-G33 PolarHBondContact O-N 3.04Å; W31-G33 VanDerWaalsContact O-N 3.16Å |
| 32 | P | 62.3 | Low | 55.9 | Low | 118 Ų | 118 | 164.1 Ų | 164.1 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 127.9 | 166.9 | 24.8 | -30.7 | 0 | 0 | 0 | 106.4 | R34 | P32-R34 PolarHBondContact O-N 3.4Š|
| 33 | G | 66.1 | Low | 55.9 | Low | 70 Ų | 70 | 163 Ų | 163 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 140 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | W31 | W31-G33 PolarHBondContact O-N 3.04Å; W31-G33 VanDerWaalsContact O-N 3.16Å |
| 34 | R | 55.4 | Low | 55.6 | Low | 228 Ų | 228 | 158.1 Ų | 158.1 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 136.6 | 171.2 | -63.7 | -176.3 | -153.1 | -95.3 | 1.5 | 107.4 | P32 H36 | P32-R34 PolarHBondContact O-N 3.4Å; R34-H36 PolarHBondContact O-N 3.16Å |
| 35 | P | 57.3 | Low | 55.2 | Low | 119 Ų | 119 | 153.9 Ų | 153.9 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 128.8 | 172.2 | 22.5 | -29.6 | 0 | 0 | 0 | 107.7 | | |
| 36 | H | 53.5 | Low | 54.8 | Low | 182 Ų | 182 | 152.3 Ų | 152.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 126.7 | 167 | -86.3 | -99.1 | 0 | 0 | 0 | 106.9 | R34 S38 | R34-H36 PolarHBondContact O-N 3.16Å; H36-S38 PolarHBondContact O-N 3.41Å; H36-S38 VanDerWaalsContact O-N 3.14Å |
| 37 | P | 48.5 | Very low | 54.3 | Low | 111 Ų | 111 | 144.6 Ų | 144.6 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -62 | 120.7 | 167.5 | 26.2 | -29.5 | 0 | 0 | 0 | 106.5 | | |
| 38 | S | 45.6 | Very low | 54 | Low | 82 Ų | 82 | 142.9 Ų | 142.9 | 57% | 0.573 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 141.7 | 169.8 | 52.4 | 0 | 0 | 0 | 0 | 109.1 | H36 N40 | H36-S38 PolarHBondContact O-N 3.41Å; H36-S38 VanDerWaalsContact O-N 3.14Å; S38-N40 VanDerWaalsContact C-OD1 3.25Å; S38-N40 VanDerWaalsContact CB-OD1 3.24Å; S38-N40 WeakPolarHBondContact CB-OD1 3.24Å; S38-N40 PolarHBondContact O-N 3.14Å; S38-N40 PolarHBondContact O-OD1 3.26Å; S38-N40 VanDerWaalsContact O-OD1 3.11Å; S38-N40 PolarHBondContact OG-OD1 3.18Å |
| 39 | E | 52.4 | Low | 53.9 | Low | 191 Ų | 191 | 142.3 Ų | 142.3 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 67.8 | -178.4 | -73.8 | 175.3 | 126 | 0 | 0 | 112.2 | | |
| 40 | N | 56.5 | Low | 52.9 | Low | 127 Ų | 127 | 138.1 Ų | 138.1 | 68% | 0.679 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.8 | 16.8 | 172.6 | 38 | -6.2 | 0 | 0 | 0 | 113 | S38 | S38-N40 VanDerWaalsContact C-OD1 3.25Å; S38-N40 VanDerWaalsContact CB-OD1 3.24Å; S38-N40 WeakPolarHBondContact CB-OD1 3.24Å; S38-N40 PolarHBondContact O-N 3.14Å; S38-N40 PolarHBondContact O-OD1 3.26Å; S38-N40 VanDerWaalsContact O-OD1 3.11Å; S38-N40 PolarHBondContact OG-OD1 3.18Å |
| 41 | T | 48.3 | Very low | 52.2 | Low | 119 Ų | 119 | 136.8 Ų | 136.8 | 73% | 0.73 | 78% | 0.778 | S | S | * | * | | | trans | -113.1 | 48.2 | 167.5 | -38 | 0 | 0 | 0 | 0 | 110.8 | A43 | T41-A43 VanDerWaalsContact C-N 3.29Å; T41-A43 PolarHBondContact O-N 3.35Å |
| 42 | I | 54.6 | Low | 51.8 | Low | 162 Ų | 162 | 137.6 Ų | 137.6 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | | | trans | -91.9 | 71.1 | 165.2 | -52.8 | 175.7 | 0 | 0 | 0 | 107.3 | | |
| 43 | A | 52.9 | Low | 50.7 | Low | 76 Ų | 76 | 142.7 Ų | 142.7 | 63% | 0.628 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -159.2 | 117.8 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | T41 | T41-A43 VanDerWaalsContact C-N 3.29Å; T41-A43 PolarHBondContact O-N 3.35Å |
| 44 | T | 52.6 | Low | 49.6 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 90.3 | 69.6 | -178.5 | -32.4 | 0 | 0 | 0 | 0 | 114.8 | | |
| 45 | L | 47.9 | Very low | 48.6 | Very low | 138 Ų | 138 | 141 Ų | 141 | 72% | 0.723 | 79% | 0.79 | S | S | * | * | | | trans | -164.3 | 121.1 | 135.6 | -98.8 | 168.9 | 0 | 0 | 0 | 108.2 | A47 | L45-A47 HydrophobicContact CD2-CB 4.14Š|
| 46 | P | 47.8 | Very low | 47.4 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | | | | -139.2 | 97.8 | 111.5 | 34.4 | -19.7 | 0 | 0 | 0 | 109.9 | | |
| 47 | A | 47.8 | Very low | 46.7 | Very low | 79 Ų | 79 | 139.2 Ų | 139.2 | 65% | 0.653 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -129.7 | -4.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | L45 | L45-A47 HydrophobicContact CD2-CB 4.14Š|
| 48 | L | 53.1 | Low | 46.2 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -135.7 | 7 | -166.6 | -76.9 | 176.7 | 0 | 0 | 0 | 118.7 | | |
| 49 | L | 52.8 | Low | 46 | Very low | 183 Ų | 183 | 142 Ų | 142 | 96% | 0.958 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -151.4 | 108 | 169.6 | -90.4 | 113.7 | 0 | 0 | 0 | 113.6 | | |
| 50 | G | 40.9 | Very low | 45.1 | Very low | 70 Ų | 70 | 137.4 Ų | 137.4 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | | | trans | 128 | 96.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 51 | L | 44.1 | Very low | 44.5 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | | | | -161.4 | 126.7 | 63.3 | -82.7 | 139.7 | 0 | 0 | 0 | 110.5 | | |
| 52 | R | 47 | Very low | 43.8 | Very low | 234 Ų | 234 | 137.3 Ų | 137.3 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | | | trans | -70.3 | 126.9 | 146.2 | -69.6 | 175.9 | 174.9 | -174 | -2.2 | 107.2 | | |
| 53 | R | 39.5 | Very low | 43 | Very low | 225 Ų | 225 | 135 Ų | 135 | 85% | 0.849 | 81% | 0.805 | S | S | * | * | | | | 167.1 | 119.4 | 126.5 | -92.7 | 173.6 | -163.5 | -137 | 3.9 | 112.8 | | |
| 54 | L | 42.9 | Very low | 42.7 | Very low | 156 Ų | 156 | 138.1 Ų | 138.1 | 82% | 0.817 | 82% | 0.816 | S | S | * | * | | | trans | 61.3 | 121.5 | 132.2 | -62.5 | 167.9 | 0 | 0 | 0 | 121.2 | | |
| 55 | A | 35.7 | Very low | 42.1 | Very low | 106 Ų | 106 | 136.2 Ų | 136.2 | 88% | 0.876 | 81% | 0.808 | S | S | * | * | | | trans | 107.9 | 125.5 | 133.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 56 | G | 31.9 | Very low | 42 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | | | trans | 106.3 | 94.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 57 | K | 38 | Very low | 41.4 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | | | | 64.2 | 104.3 | 83.2 | -156.8 | 154.3 | 176.8 | 178.1 | 0 | 108.9 | | |
| 58 | D | 38.9 | Very low | 41.3 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | | | | -161.3 | 158 | 54.5 | -78.3 | -60.9 | 0 | 0 | 0 | 113.8 | | |
| 59 | S | 40 | Very low | 40.6 | Very low | 117 Ų | 117 | 142.4 Ų | 142.4 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | 87.5 | 124 | 147.8 | 69.8 | 0 | 0 | 0 | 0 | 123.4 | | |
| 60 | A | 34.1 | Very low | 40 | Very low | 96 Ų | 96 | 144.8 Ų | 144.8 | 79% | 0.793 | 82% | 0.817 | S | S | * | * | | | trans | 102.7 | 135.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 61 | P | 44.5 | Very low | 40.2 | Very low | 130 Ų | 130 | 147.6 Ų | 147.6 | 84% | 0.844 | 82% | 0.823 | S | S | * | * | | | trans | -91.4 | 139.8 | -166.5 | 36.5 | -30.6 | 0 | 0 | 0 | 111.3 | | |
| 62 | S | 33.4 | Very low | 39.8 | Very low | 114 Ų | 114 | 143 Ų | 143 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | | | trans | -144.5 | 122 | 154.7 | 52.9 | 0 | 0 | 0 | 0 | 110.9 | | |
| 63 | S | 37.9 | Very low | 39.1 | Very low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 82% | 0.818 | S | S | * | * | | | trans | -49.7 | 125.2 | -176.8 | 51.1 | 0 | 0 | 0 | 0 | 114.5 | S65 | S63-S65 PolarHBondContact O-N 2.77Š|
| 64 | T | 46.3 | Very low | 39.2 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 87% | 0.865 | 82% | 0.818 | S | S | * | * | | | trans | -77.3 | 112.6 | 161.5 | -19 | 0 | 0 | 0 | 0 | 108.8 | | |
| 65 | S | 39.1 | Very low | 38.9 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 82% | 0.817 | S | S | * | * | | | trans | -114.3 | 98.3 | 170.1 | 170 | 0 | 0 | 0 | 0 | 109.4 | S63 | S63-S65 PolarHBondContact O-N 2.77Š|
| 66 | S | 46.4 | Very low | 39 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | | | trans | -80.3 | 117.9 | 172.4 | 27 | 0 | 0 | 0 | 0 | 110.4 | | |
| 67 | C | 34.8 | Very low | 39.2 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 72% | 0.723 | 82% | 0.815 | S | S | * | * | | | trans | -111 | 100.8 | 173 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | | |
| 68 | L | 45.7 | Very low | 39.2 | Very low | 170 Ų | 170 | 135.2 Ų | 135.2 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | | | trans | -69.8 | 123.7 | 167.2 | -79.2 | 145.5 | 0 | 0 | 0 | 110 | | |
| 69 | W | 37.8 | Very low | 39 | Very low | 246 Ų | 246 | 135.7 Ų | 135.7 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | | | trans | -89 | 127.6 | 170.5 | -100.9 | 70.3 | 0 | 0 | 0 | 111.3 | | |
| 70 | R | 41.9 | Very low | 39.1 | Very low | 234 Ų | 234 | 134.6 Ų | 134.6 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | | | trans | -110.8 | 138.4 | 166.2 | -72.1 | -174.3 | -176.8 | -131.2 | 2.8 | 109.3 | | |
| 71 | P | 43.6 | Very low | 39.3 | Very low | 129 Ų | 129 | 137.6 Ų | 137.6 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 121 | 172.5 | 32.2 | -28 | 0 | 0 | 0 | 111.6 | | |
| 72 | G | 36.3 | Very low | 39.2 | Very low | 77 Ų | 77 | 139 Ų | 139 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -97.9 | 137.4 | 164 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 73 | K | 32.5 | Very low | 39.6 | Very low | 211 Ų | 211 | 139 Ų | 139 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 124.9 | -173.2 | -148.8 | 173.9 | -172.2 | 178.8 | 0 | 109.6 | | |
| 74 | V | 42.1 | Very low | 40 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 130.8 | 178.3 | -179 | 0 | 0 | 0 | 0 | 109.8 | | |
| 75 | T | 36.4 | Very low | 40 | Very low | 132 Ų | 132 | 139.8 Ų | 139.8 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 127.4 | 169.1 | 40.8 | 0 | 0 | 0 | 0 | 110 | | |
| 76 | A | 37.4 | Very low | 40.1 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | | | trans | -121 | 119.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 77 | T | 35.2 | Very low | 39.8 | Very low | 121 Ų | 121 | 145 Ų | 145 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | | | trans | -118.6 | 117.1 | 177.5 | -52.3 | 0 | 0 | 0 | 0 | 107.1 | | |
| 78 | T | 38.3 | Very low | 39.8 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | | | trans | 64.2 | 137.1 | 156.9 | 29.6 | 0 | 0 | 0 | 0 | 117.6 | | |
| 79 | L | 35.9 | Very low | 39.3 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 75% | 0.754 | 81% | 0.813 | S | S | * | * | | | cis | -155 | 132.1 | 10.6 | -89.5 | 153 | 0 | 0 | 0 | 105.7 | | |
| 80 | S | 41.5 | Very low | 39 | Very low | 94 Ų | 94 | 137.4 Ų | 137.4 | 66% | 0.657 | 80% | 0.804 | S | S | * | * | | | | 71.2 | 130.3 | 105.7 | -49.3 | 0 | 0 | 0 | 0 | 117.3 | | |
| 81 | I | 39.1 | Very low | 38.8 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | | | trans | 104.9 | 87.1 | 159.8 | -50.8 | 157.8 | 0 | 0 | 0 | 115.7 | | |
| 82 | L | 40.4 | Very low | 38.3 | Very low | 160 Ų | 160 | 134.6 Ų | 134.6 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | 32.4 | 161.3 | 136.1 | -69.9 | 147.4 | 0 | 0 | 0 | 122 | | |
| 83 | P | 42 | Very low | 38.6 | Very low | 115 Ų | 115 | 141.8 Ų | 141.8 | 75% | 0.747 | 81% | 0.805 | S | S | * | * | | | cis | -129.4 | -174.7 | -26.6 | 33.3 | -12.6 | 0 | 0 | 0 | 112.6 | | |
| 84 | A | 46.8 | Very low | 39 | Very low | 86 Ų | 86 | 136.1 Ų | 136.1 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | | | trans | -52.9 | 151.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 85 | Q | 46.3 | Very low | 39.1 | Very low | 185 Ų | 185 | 138.5 Ų | 138.5 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | | | trans | 85.1 | 91.1 | 163.3 | -46.7 | -169.4 | 20.6 | 0 | 0 | 117.2 | | |
| 86 | T | 40.7 | Very low | 39.2 | Very low | 147 Ų | 147 | 139.9 Ų | 139.9 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | | | trans | -137.8 | 100.5 | 137 | 51.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 87 | L | 39.9 | Very low | 39.6 | Very low | 169 Ų | 169 | 140.5 Ų | 140.5 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | | | trans | -55.2 | 139.9 | 160 | -162.2 | 99.9 | 0 | 0 | 0 | 110 | | |
| 88 | A | 36.8 | Very low | 39.7 | Very low | 80 Ų | 80 | 140.5 Ų | 140.5 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | | | trans | 64.2 | 104.4 | 155.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | | |
| 89 | K | 34.7 | Very low | 39.6 | Very low | 213 Ų | 213 | 141 Ų | 141 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | | | | 161.8 | 135.7 | 115.2 | -94.8 | 166.8 | 173.8 | 169.5 | 0 | 111.6 | | |
| 90 | G | 31 | Very low | 39.9 | Very low | 71 Ų | 71 | 139.7 Ų | 139.7 | 73% | 0.732 | 81% | 0.809 | S | S | * | * | | | trans | 94.8 | 78 | 156.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 91 | C | 37.8 | Very low | 39.9 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | | | | 55.4 | 104.5 | 100.3 | -77.4 | 0 | 0 | 0 | 0 | 115.3 | | |
| 92 | H | 33.9 | Very low | 39.7 | Very low | 180 Ų | 180 | 137.6 Ų | 137.6 | 83% | 0.833 | 82% | 0.815 | S | S | * | * | | | trans | -140.4 | 89.4 | 141.3 | -126 | -86.3 | 0 | 0 | 0 | 111.4 | | |
| 93 | R | 42.4 | Very low | 39.4 | Very low | 227 Ų | 227 | 138.7 Ų | 138.7 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | | | | 50.3 | 82.3 | 125.4 | -150.2 | 174.2 | -168 | 175.1 | 1.7 | 116.8 | | |
| 94 | A | 40.5 | Very low | 39 | Very low | 93 Ų | 93 | 138.3 Ų | 138.3 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | -141.9 | 90.6 | 148 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 95 | Q | 42.9 | Very low | 38.7 | Very low | 187 Ų | 187 | 140.9 Ų | 140.9 | 87% | 0.874 | 82% | 0.817 | S | S | * | * | | | | 31.2 | 95.2 | 111.9 | -83 | 179.5 | -6.7 | 0 | 0 | 113.3 | | |
| 96 | I | 40.4 | Very low | 38.4 | Very low | 161 Ų | 161 | 145 Ų | 145 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | | | | -162.9 | 131.2 | 127.6 | -86.9 | 143.9 | 0 | 0 | 0 | 106.7 | | |
| 97 | P | 45.3 | Very low | 38.2 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 83% | 0.829 | S | S | * | * | | | trans | -76.4 | 143.2 | 174.2 | 34.1 | -32.2 | 0 | 0 | 0 | 108.9 | | |
| 98 | C | 37.2 | Very low | 38.2 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | | | trans | 152.8 | 87.4 | 151.4 | -84 | 0 | 0 | 0 | 0 | 109.3 | | |
| 99 | C | 35.7 | Very low | 38.2 | Very low | 129 Ų | 129 | 147.2 Ų | 147.2 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | | | trans | -155 | 79.4 | 143.7 | -96.8 | 0 | 0 | 0 | 0 | 106.7 | T101 | C99-T101 PolarHBondContact O-N 3.11Š|
| 100 | S | 42.8 | Very low | 38.4 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -75.7 | 101.6 | 160 | 51 | 0 | 0 | 0 | 0 | 108.3 | | |
| 101 | T | 41.2 | Very low | 38.9 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | | | trans | -145.4 | 107.8 | 150.5 | 45.8 | 0 | 0 | 0 | 0 | 108.4 | C99 | C99-T101 PolarHBondContact O-N 3.11Š|
| 102 | G | 35.8 | Very low | 39 | Very low | 74 Ų | 74 | 149.4 Ų | 149.4 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | | | trans | 44.1 | 104.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | A104 | G102-A104 PolarHBondContact O-N 2.74Š|
| 103 | F | 33.8 | Very low | 39.3 | Very low | 184 Ų | 184 | 147.2 Ų | 147.2 | 81% | 0.807 | 84% | 0.836 | S | S | * | * | | | trans | -32 | 119.8 | 138 | -92.1 | -111.2 | 0 | 0 | 0 | 111.2 | E105 | F103-E105 HydrophobicContact CD1-CB 4.2Å; F103-E105 HydrophobicContact CD1-CG 3.83Å; F103-E105 HydrophobicContact CE1-CG 4.14Å |
| 104 | A | 33.5 | Very low | 39.1 | Very low | 106 Ų | 106 | 141.1 Ų | 141.1 | 88% | 0.876 | 83% | 0.834 | S | S | * | * | | | trans | -103.6 | 100.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 105.2 | G102 | G102-A104 PolarHBondContact O-N 2.74Š|
| 105 | E | 40.4 | Very low | 39 | Very low | 141 Ų | 141 | 145.1 Ų | 145.1 | 66% | 0.659 | 84% | 0.839 | S | S | * | * | | | trans | -97.3 | 137.7 | 165.2 | -112.8 | -174 | 154.8 | 0 | 0 | 107.9 | F103 | F103-E105 HydrophobicContact CD1-CB 4.2Å; F103-E105 HydrophobicContact CD1-CG 3.83Å; F103-E105 HydrophobicContact CE1-CG 4.14Å |
| 106 | F | 38.8 | Very low | 38.6 | Very low | 272 Ų | 272 | 141.3 Ų | 141.3 | 100% | 1.193 | 84% | 0.836 | S | S | * | * | | | trans | 73.7 | 0 | 175.7 | -74.8 | -85.2 | 0 | 0 | 0 | 119.2 | | |