| 1 | M | 59.2 | Low | 60.6 | Low | 192 Ų | 192 | 95.9 Ų | 95.9 | 95% | 0.946 | 61% | 0.611 | S | S | * | * | | | | 0 | -40.7 | 0 | -74.1 | -174.3 | -173.7 | 0 | 0 | 113.8 | R5 | M1-R5 PolarHBondContact O-N 3.28Å; M1-R5 WeakPolarHBondContact O-CG 3.37Å |
| 2 | C | 60.7 | Low | 62.4 | Low | 102 Ų | 102 | 104.8 Ų | 104.8 | 69% | 0.689 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.7 | -48.8 | -178.7 | -120.2 | 0 | 0 | 0 | 0 | 114.1 | A4 R5 L6 | C2-A4 PolarHBondContact O-N 3.39Å; C2-R5 PolarHBondContact O-N 3.01Å; C2-L6 PolarHBondContact O-N 3.32Å |
| 3 | A | 59.9 | Low | 64.6 | Low | 79 Ų | 79 | 100.7 Ų | 100.7 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64 | -38.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L6 A7 | A3-L6 PolarHBondContact O-N 3.42Å; A3-A7 WeakPolarHBondContact O-CB 3.5Å; A3-A7 PolarHBondContact O-N 3.13Å |
| 4 | A | 59.2 | Low | 66.8 | Low | 69 Ų | 69 | 97.4 Ų | 97.4 | 57% | 0.57 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.8 | -36 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C2 A8 | C2-A4 PolarHBondContact O-N 3.39Å; A4-A8 WeakPolarHBondContact O-CB 3.32Å; A4-A8 PolarHBondContact O-N 2.9Å |
| 5 | R | 60.1 | Low | 68.6 | Low | 185 Ų | 185 | 95.5 Ų | 95.5 | 70% | 0.698 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.4 | -40.4 | 174.2 | -76.7 | -179.8 | 170.4 | 156.9 | -1.8 | 111.9 | M1 C2 A9 | M1-R5 PolarHBondContact O-N 3.28Å; M1-R5 WeakPolarHBondContact O-CG 3.37Å; C2-R5 PolarHBondContact O-N 3.01Å; R5-A9 WeakPolarHBondContact O-CB 3.46Å; R5-A9 PolarHBondContact O-N 3.05Å |
| 6 | L | 58.6 | Low | 70.2 | Confident | 123 Ų | 123 | 94.3 Ų | 94.3 | 64% | 0.644 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.8 | -42.6 | 174.9 | -78.4 | 155.6 | 0 | 0 | 0 | 112 | C2 A3 A9 A10 | C2-L6 PolarHBondContact O-N 3.32Å; A3-L6 PolarHBondContact O-N 3.42Å; L6-A9 PolarHBondContact O-N 3.35Å; L6-A10 PolarHBondContact O-N 3.45Å |
| 7 | A | 60.9 | Low | 71.7 | Confident | 63 Ų | 63 | 93.7 Ų | 93.7 | 52% | 0.521 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.5 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A3 A9 A10 A11 | A3-A7 WeakPolarHBondContact O-CB 3.5Å; A3-A7 PolarHBondContact O-N 3.13Å; A7-A9 VanDerWaalsContact C-N 3.35Å; A7-A10 PolarHBondContact O-N 3.15Å; A7-A11 PolarHBondContact O-N 3.35Å; A7-A11 VanDerWaalsContact O-N 3.13Å |
| 8 | A | 59.8 | Low | 73 | Confident | 49 Ų | 49 | 92.7 Ų | 92.7 | 41% | 0.405 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.5 | -37.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A4 A10 A11 F17 | A4-A8 WeakPolarHBondContact O-CB 3.32Å; A4-A8 PolarHBondContact O-N 2.9Å; A8-A10 VanDerWaalsContact C-N 3.28Å; A8-A10 PolarHBondContact O-N 3.26Å; A8-A11 PolarHBondContact O-N 3.17Å; A8-F17 HydrophobicContact CB-CE1 4.25Å; A8-F17 HydrophobicContact CB-CZ 4.35Å |
| 9 | A | 60.4 | Low | 74.3 | Confident | 89 Ų | 89 | 90.9 Ų | 90.9 | 74% | 0.736 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.4 | -24.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | R5 L6 A7 | R5-A9 WeakPolarHBondContact O-CB 3.46Å; R5-A9 PolarHBondContact O-N 3.05Å; L6-A9 PolarHBondContact O-N 3.35Å; A7-A9 VanDerWaalsContact C-N 3.35Å |
| 10 | A | 62 | Low | 75.5 | Confident | 75 Ų | 75 | 95.2 Ų | 95.2 | 62% | 0.62 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -87 | -19.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | L6 A7 A8 Q12 | L6-A10 PolarHBondContact O-N 3.45Å; A7-A10 PolarHBondContact O-N 3.15Å; A8-A10 VanDerWaalsContact C-N 3.28Å; A8-A10 PolarHBondContact O-N 3.26Å; A10-Q12 PolarHBondContact O-N 3.1Å |
| 11 | A | 65.6 | Low | 76.5 | Confident | 29 Ų | 29 | 93.4 Ų | 93.4 | 24% | 0.24 | 56% | 0.556 | C | S | . | * | | | trans | -76.9 | 103.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | A7 A8 S13 A16 F17 | A7-A11 PolarHBondContact O-N 3.35Å; A7-A11 VanDerWaalsContact O-N 3.13Å; A8-A11 PolarHBondContact O-N 3.17Å; A11-S13 PolarHBondContact O-N 3.31Å; A11-A16 HydrophobicContact CB-CB 3.8Å; A11-F17 HydrophobicContact CB-CE2 3.57Å; A11-F17 HydrophobicContact CB-CZ 3.5Å; A11-F17 VanDerWaalsContact CB-CZ 3.5Å; A11-F17 HydrophobicContact CB-CE1 4.47Å |
| 12 | Q | 82.8 | Confident | 78.3 | Confident | 203 Ų | 203 | 93 Ų | 93 | 95% | 0.949 | 56% | 0.557 | S | S | * | * | | | trans | -73.6 | -9.9 | -179.8 | -64.1 | 178.1 | -24.4 | 0 | 0 | 113.7 | A10 | A10-Q12 PolarHBondContact O-N 3.1Š|
| 13 | S | 91.3 | Very high | 80.1 | Confident | 51 Ų | 51 | 93.2 Ų | 93.2 | 36% | 0.357 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -147 | 151.9 | -175.3 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | A11 Y15 A16 | A11-S13 PolarHBondContact O-N 3.31Å; S13-Y15 PolarHBondContact O-N 3.36Å; S13-Y15 VanDerWaalsContact O-N 3.1Å; S13-Y15 VanDerWaalsContact OG-CD2 3.24Å; S13-Y15 WeakPolarHBondContact OG-CD2 3.34Å; S13-Y15 PolarHBondContact OG-N 3.03Å; S13-A16 PolarHBondContact O-N 3.27Å |
| 14 | V | 94.1 | Very high | 81.8 | Confident | 55 Ų | 55 | 91.2 Ų | 91.2 | 33% | 0.333 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -57.5 | -21.7 | 173.6 | -61.7 | 0 | 0 | 0 | 0 | 113.1 | A16 F17 L30 I40 | V14-A16 VanDerWaalsContact O-N 3.15Å; V14-A16 PolarHBondContact O-N 3.42Å; V14-F17 WeakPolarHBondContact O-CD2 3.37Å; V14-F17 PolarHBondContact O-N 3.04Å; V14-F17 VanDerWaalsContact O-N 3.1Å; V14-L30 HydrophobicContact CB-CD1 4.08Å; V14-L30 WeakPolarHBondContact O-CB 3.39Å; V14-I40 HydrophobicContact CG1-CD1 4.49Å |
| 15 | Y | 94.9 | Very high | 83.5 | Confident | 69 Ų | 69 | 90.4 Ų | 90.4 | 27% | 0.271 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -67.6 | -13.1 | -177.5 | -55.6 | -33.3 | 0 | 0 | 0 | 114.9 | S13 F17 L30 R34 | S13-Y15 PolarHBondContact O-N 3.36Å; S13-Y15 VanDerWaalsContact O-N 3.1Å; S13-Y15 VanDerWaalsContact OG-CD2 3.24Å; S13-Y15 WeakPolarHBondContact OG-CD2 3.34Å; S13-Y15 PolarHBondContact OG-N 3.03Å; Y15-F17 PolarHBondContact O-N 3.3Å; Y15-L30 WeakPolarHBondContact CD1-O 3.24Å; Y15-R34 WeakPolarHBondContact OH-CA 3.49Å; Y15-R34 HydrophobicContact CE2-CB 4.31Å; Y15-R34 HydrophobicContact CE1-CB 4.35Å; Y15-R34 HydrophobicContact CE2-CG 3.96Å |
| 16 | A | 94.5 | Very high | 85.2 | Confident | 75 Ų | 75 | 89 Ų | 89 | 62% | 0.62 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -79.1 | -6.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A11 S13 V14 | A11-A16 HydrophobicContact CB-CB 3.8Å; S13-A16 PolarHBondContact O-N 3.27Å; V14-A16 VanDerWaalsContact O-N 3.15Å; V14-A16 PolarHBondContact O-N 3.42Å |
| 17 | F | 94.6 | Very high | 87.1 | Confident | 85 Ų | 85 | 85.6 Ų | 85.6 | 37% | 0.373 | 54% | 0.538 | S | S | . | . | | | trans | -110.1 | 154.1 | -173.5 | -57.1 | -85.5 | 0 | 0 | 0 | 112.2 | A8 A11 V14 Y15 L30 | A8-F17 HydrophobicContact CB-CE1 4.25Å; A8-F17 HydrophobicContact CB-CZ 4.35Å; A11-F17 HydrophobicContact CB-CE2 3.57Å; A11-F17 HydrophobicContact CB-CZ 3.5Å; A11-F17 VanDerWaalsContact CB-CZ 3.5Å; A11-F17 HydrophobicContact CB-CE1 4.47Å; V14-F17 WeakPolarHBondContact O-CD2 3.37Å; V14-F17 PolarHBondContact O-N 3.04Å; V14-F17 VanDerWaalsContact O-N 3.1Å; Y15-F17 PolarHBondContact O-N 3.3Å; F17-L30 PolarHBondContact O-N 3.06Å; F17-L30 HydrophobicContact CB-CD1 4.25Å |
| 18 | S | 96.3 | Very high | 88.9 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 156.8 | 169.6 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | V28 | S18-V28 CarbonylContact C-O 3.57Å; S18-V28 WeakPolarHBondContact CA-O 3.43Å; S18-V28 VanDerWaalsContact CB-O 3.24Å; S18-V28 WeakPolarHBondContact CB-O 3.48Å |
| 19 | A | 97 | Very high | 90.7 | Very high | 60 Ų | 60 | 86.5 Ų | 86.5 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 150.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P27 V28 | A19-P27 WeakPolarHBondContact O-CA 3.48Å; A19-V28 PolarHBondContact N-O 2.68Å; A19-V28 PolarHBondContact O-N 2.98Å |
| 20 | R | 97.9 | Very high | 92.4 | Very high | 176 Ų | 176 | 84.3 Ų | 84.3 | 66% | 0.664 | 51% | 0.509 | S | S | * | . | | | trans | -81.3 | 135.7 | 174 | -73.1 | -175.7 | -165.9 | -82 | -0.8 | 110.3 | G25 P27 | R20-G25 PolarHBondContact NH1-O 3.5Å; R20-P27 HydrophobicContact CG-CG 4.24Å |
| 21 | P | 97.7 | Very high | 94.1 | Very high | 57 Ų | 57 | 82 Ų | 82 | 37% | 0.37 | 49% | 0.494 | S | S | . | . | | | trans | -60.8 | 155.7 | 172.3 | -21.9 | 33.2 | 0 | 0 | 0 | 112.3 | A23 G24 E26 V28 | P21-A23 VanDerWaalsContact C-N 3.26Å; P21-A23 PolarHBondContact O-N 3.1Å; P21-G24 WeakPolarHBondContact O-CA 3.38Å; P21-G24 PolarHBondContact O-N 2.97Å; P21-E26 WeakPolarHBondContact CD-O 3.39Å; P21-V28 HydrophobicContact CG-CG2 3.89Å |
| 22 | L | 96.5 | Very high | 95.6 | Very high | 185 Ų | 185 | 84.8 Ų | 84.8 | 97% | 0.969 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -38.6 | 176.3 | -179.4 | 63.7 | 0 | 0 | 0 | 112.3 | G24 | L22-G24 PolarHBondContact O-N 3.09Å; L22-G24 VanDerWaalsContact O-N 3.13Å |
| 23 | A | 97.4 | Very high | 96.4 | Very high | 106 Ų | 106 | 78.3 Ų | 78.3 | 88% | 0.876 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | 1.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P21 | P21-A23 VanDerWaalsContact C-N 3.26Å; P21-A23 PolarHBondContact O-N 3.1Å |
| 24 | G | 95.2 | Very high | 96.7 | Very high | 37 Ų | 37 | 84.8 Ų | 84.8 | 38% | 0.381 | 50% | 0.499 | S | S | . | . | | | trans | 81.8 | -167.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P21 L22 | P21-G24 WeakPolarHBondContact O-CA 3.38Å; P21-G24 PolarHBondContact O-N 2.97Å; L22-G24 PolarHBondContact O-N 3.09Å; L22-G24 VanDerWaalsContact O-N 3.13Å |
| 25 | G | 95.3 | Very high | 96.8 | Very high | 51 Ų | 51 | 85.8 Ų | 85.8 | 53% | 0.526 | 52% | 0.521 | S | S | . | . | | | trans | 98.2 | -159.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | R20 | R20-G25 PolarHBondContact NH1-O 3.5Š|
| 26 | E | 97.4 | Very high | 97 | Very high | 157 Ų | 157 | 89.5 Ų | 89.5 | 73% | 0.734 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -67.2 | 139.8 | -177.5 | -72.5 | -54.2 | 129 | 0 | 0 | 111.7 | P21 V28 | P21-E26 WeakPolarHBondContact CD-O 3.39Å; E26-V28 PolarHBondContact O-N 3.22Å |
| 27 | P | 98 | Very high | 97.1 | Very high | 51 Ų | 51 | 93.1 Ų | 93.1 | 33% | 0.331 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 133.6 | 174.4 | -22.8 | 34 | 0 | 0 | 0 | 112 | A19 R20 | A19-P27 WeakPolarHBondContact O-CA 3.48Å; R20-P27 HydrophobicContact CG-CG 4.24Å |
| 28 | V | 97.6 | Very high | 97.3 | Very high | 74 Ų | 74 | 92.2 Ų | 92.2 | 45% | 0.448 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 121.1 | 173.7 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | S18 A19 P21 E26 | S18-V28 CarbonylContact C-O 3.57Å; S18-V28 WeakPolarHBondContact CA-O 3.43Å; S18-V28 VanDerWaalsContact CB-O 3.24Å; S18-V28 WeakPolarHBondContact CB-O 3.48Å; A19-V28 PolarHBondContact N-O 2.68Å; A19-V28 PolarHBondContact O-N 2.98Å; P21-V28 HydrophobicContact CG-CG2 3.89Å; E26-V28 PolarHBondContact O-N 3.22Å |
| 29 | S | 97.4 | Very high | 97.4 | Very high | 56 Ų | 56 | 95.6 Ų | 95.6 | 39% | 0.392 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.3 | 129.6 | 171.8 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | G31 S32 | S29-G31 VanDerWaalsContact OG-N 3.09Å; S29-G31 PolarHBondContact OG-N 2.83Å; S29-G31 PolarHBondContact O-N 3.22Å; S29-S32 WeakPolarHBondContact O-CB 3.24Å; S29-S32 PolarHBondContact O-N 3.19Å; S29-S32 PolarHBondContact O-OG 3.21Å |
| 30 | L | 97.5 | Very high | 97.4 | Very high | 43 Ų | 43 | 98.5 Ų | 98.5 | 23% | 0.225 | 57% | 0.568 | C | S | . | * | G | 310 helix | trans | -65.8 | -17.9 | 172.5 | -61 | -175.9 | 0 | 0 | 0 | 112 | V14 Y15 F17 S32 L33 | V14-L30 HydrophobicContact CB-CD1 4.08Å; V14-L30 WeakPolarHBondContact O-CB 3.39Å; Y15-L30 WeakPolarHBondContact CD1-O 3.24Å; F17-L30 PolarHBondContact O-N 3.06Å; F17-L30 HydrophobicContact CB-CD1 4.25Å; L30-S32 PolarHBondContact O-N 3.04Å; L30-L33 HydrophobicContact CD2-CD1 4.41Å; L30-L33 WeakPolarHBondContact O-CB 3.12Å; L30-L33 PolarHBondContact O-N 3.41Å |
| 31 | G | 97.3 | Very high | 97.4 | Very high | 28 Ų | 28 | 96.7 Ų | 96.7 | 29% | 0.289 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -58.5 | -26.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S29 L33 R34 | S29-G31 VanDerWaalsContact OG-N 3.09Å; S29-G31 PolarHBondContact OG-N 2.83Å; S29-G31 PolarHBondContact O-N 3.22Å; G31-L33 PolarHBondContact O-N 3Å; G31-R34 PolarHBondContact O-N 3.32Å |
| 32 | S | 97.9 | Very high | 97.4 | Very high | 86 Ų | 86 | 101.8 Ų | 101.8 | 60% | 0.601 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -65.1 | -16.6 | 175.2 | 65 | 0 | 0 | 0 | 0 | 113.9 | S29 L30 | S29-S32 WeakPolarHBondContact O-CB 3.24Å; S29-S32 PolarHBondContact O-N 3.19Å; S29-S32 PolarHBondContact O-OG 3.21Å; L30-S32 PolarHBondContact O-N 3.04Å |
| 33 | L | 97.9 | Very high | 97.4 | Very high | 67 Ų | 67 | 99 Ų | 99 | 35% | 0.351 | 58% | 0.582 | S | S | . | * | G | 310 helix | trans | -98 | 14.9 | -178.7 | -58.2 | 175 | 0 | 0 | 0 | 113.1 | L30 G31 G35 K36 L38 | L30-L33 HydrophobicContact CD2-CD1 4.41Å; L30-L33 WeakPolarHBondContact O-CB 3.12Å; L30-L33 PolarHBondContact O-N 3.41Å; G31-L33 PolarHBondContact O-N 3Å; L33-G35 PolarHBondContact O-N 3.13Å; L33-K36 WeakPolarHBondContact O-CB 3.47Å; L33-K36 PolarHBondContact O-N 2.94Å; L33-L38 HydrophobicContact CB-CD1 4.1Å; L33-L38 HydrophobicContact CB-CD2 4.12Å; L33-L38 HydrophobicContact CD1-CD1 3.96Å; L33-L38 HydrophobicContact CD1-CD2 3.83Å |
| 34 | R | 97.3 | Very high | 97.4 | Very high | 188 Ų | 188 | 98.7 Ų | 98.7 | 71% | 0.709 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | 133.8 | 176.3 | -170.3 | 177.5 | -177.2 | 93.3 | -0.7 | 110.9 | Y15 G31 | Y15-R34 WeakPolarHBondContact OH-CA 3.49Å; Y15-R34 HydrophobicContact CE2-CB 4.31Å; Y15-R34 HydrophobicContact CE1-CB 4.35Å; Y15-R34 HydrophobicContact CE2-CG 3.96Å; G31-R34 PolarHBondContact O-N 3.32Å |
| 35 | G | 97.2 | Very high | 97.4 | Very high | 76 Ų | 76 | 102.9 Ų | 102.9 | 78% | 0.784 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 86 | 2.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | L33 | L33-G35 PolarHBondContact O-N 3.13Š|
| 36 | K | 98.4 | Very high | 97 | Very high | 147 Ų | 147 | 112.4 Ų | 112.4 | 64% | 0.639 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -104.7 | 146.9 | 168.4 | -56.7 | -63.3 | -179.3 | -179.7 | 0 | 110.7 | L33 L38 | L33-K36 WeakPolarHBondContact O-CB 3.47Å; L33-K36 PolarHBondContact O-N 2.94Å; K36-L38 HydrophobicContact CB-CD2 4.09Å |
| 37 | V | 97.9 | Very high | 96.9 | Very high | 151 Ų | 151 | 110.2 Ų | 110.2 | 92% | 0.915 | 64% | 0.636 | S | S | * | * | | | trans | -82.9 | 131.2 | 165.3 | 179.8 | 0 | 0 | 0 | 0 | 107.5 | | |
| 38 | L | 97.7 | Very high | 96.9 | Very high | 66 Ų | 66 | 113.3 Ų | 113.3 | 35% | 0.346 | 65% | 0.652 | S | S | . | * | | | trans | -118.5 | 133.5 | -175.3 | -55.8 | -179.1 | 0 | 0 | 0 | 110.6 | L33 K36 | L33-L38 HydrophobicContact CB-CD1 4.1Å; L33-L38 HydrophobicContact CB-CD2 4.12Å; L33-L38 HydrophobicContact CD1-CD1 3.96Å; L33-L38 HydrophobicContact CD1-CD2 3.83Å; K36-L38 HydrophobicContact CB-CD2 4.09Å |
| 39 | L | 98.2 | Very high | 96.8 | Very high | 145 Ų | 145 | 115.5 Ų | 115.5 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | | | trans | -106.1 | 128 | 163.2 | -178.7 | 62.6 | 0 | 0 | 0 | 107.6 | E41 | L39-E41 HydrophobicContact CD2-CG 4.5Å; L39-E41 VanDerWaalsContact CD2-OE1 3.32Å; L39-E41 WeakPolarHBondContact CD2-OE1 3.41Å; L39-E41 HydrophobicContact CG-CG 4.17Å |
| 40 | I | 97.4 | Very high | 96.8 | Very high | 122 Ų | 122 | 119 Ų | 119 | 63% | 0.626 | 68% | 0.679 | S | S | * | * | | | trans | -118.9 | 121.2 | -178.2 | -61.4 | 171.6 | 0 | 0 | 0 | 107.8 | V14 | V14-I40 HydrophobicContact CG1-CD1 4.49Š|
| 41 | E | 97.9 | Very high | 96.8 | Very high | 138 Ų | 138 | 123.8 Ų | 123.8 | 65% | 0.645 | 71% | 0.707 | S | S | * | * | | | trans | -124.1 | 140.5 | -177 | -62.9 | -175.7 | 176.2 | 0 | 0 | 110.9 | L39 | L39-E41 HydrophobicContact CD2-CG 4.5Å; L39-E41 VanDerWaalsContact CD2-OE1 3.32Å; L39-E41 WeakPolarHBondContact CD2-OE1 3.41Å; L39-E41 HydrophobicContact CG-CG 4.17Å |
| 42 | N | 97 | Very high | 96.7 | Very high | 163 Ų | 163 | 130.1 Ų | 130.1 | 87% | 0.872 | 74% | 0.735 | S | S | * | * | | | trans | -85 | 126 | 165.5 | 68.5 | -76 | 0 | 0 | 0 | 109 | | |
| 43 | V | 97 | Very high | 96.6 | Very high | 128 Ų | 128 | 133.3 Ų | 133.3 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | | | trans | -112.9 | 155.3 | -178.9 | -62.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 44 | A | 97.1 | Very high | 96.5 | Very high | 99 Ų | 99 | 138.4 Ų | 138.4 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | | | trans | -146 | 145.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 45 | S | 95.6 | Very high | 96.5 | Very high | 125 Ų | 125 | 134.3 Ų | 134.3 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -89 | 150.3 | 172 | -56.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 46 | L | 86.5 | Confident | 96.4 | Very high | 251 Ų | 251 | 139.5 Ų | 139.5 | 100% | 1.314 | 78% | 0.78 | S | S | * | * | | | trans | -86.2 | 0 | 172.8 | -73.2 | 164.6 | 0 | 0 | 0 | 111.7 | | |