| 1 | M | 44.4 | Very low | 46.3 | Very low | 244 Ų | 244 | 129.2 Ų | 129.2 | 100% | 1.202 | 68% | 0.675 | S | S | * | * | | | | 0 | 114.8 | 0 | -75.2 | -179.2 | -176.2 | 0 | 0 | 106.6 | | |
| 2 | E | 43.2 | Very low | 46.8 | Very low | 160 Ų | 160 | 123.5 Ų | 123.5 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | | | trans | -79.7 | 133.3 | 169.3 | -90.6 | 173.4 | 99.9 | 0 | 0 | 109 | Q4 | E2-Q4 PolarHBondContact OE1-NE2 3.3Å; E2-Q4 HydrophobicContact CB-CG 4.46Å |
| 3 | P | 43.4 | Very low | 47.6 | Very low | 126 Ų | 126 | 119.1 Ų | 119.1 | 82% | 0.818 | 64% | 0.641 | S | S | * | * | | | trans | -89.5 | 108.4 | 171.3 | 33.2 | -25.5 | 0 | 0 | 0 | 108.4 | | |
| 4 | Q | 42.9 | Very low | 48.1 | Very low | 121 Ų | 121 | 116.8 Ų | 116.8 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | | | trans | -148.2 | 117.3 | 175.5 | -59.4 | -179.4 | 3.1 | 0 | 0 | 106.8 | E2 | E2-Q4 PolarHBondContact OE1-NE2 3.3Å; E2-Q4 HydrophobicContact CB-CG 4.46Å |
| 5 | H | 47.8 | Very low | 48.8 | Very low | 148 Ų | 148 | 113.7 Ų | 113.7 | 69% | 0.685 | 62% | 0.622 | S | S | * | * | | | cis | -154.8 | 136.9 | 48.2 | -74.7 | 74.3 | 0 | 0 | 0 | 110.3 | | |
| 6 | Q | 45.7 | Very low | 49.4 | Very low | 141 Ų | 141 | 119.6 Ų | 119.6 | 66% | 0.659 | 63% | 0.632 | S | S | * | * | | | trans | -89.8 | 106.3 | 164.7 | -161.6 | 172.7 | 35 | 0 | 0 | 107.2 | E8 | Q6-E8 PolarHBondContact O-N 2.97Š|
| 7 | V | 48.3 | Very low | 49.9 | Very low | 111 Ų | 111 | 115 Ų | 115 | 67% | 0.673 | 62% | 0.615 | S | S | * | * | | | trans | -83.6 | 95.8 | 171.5 | -174.3 | 0 | 0 | 0 | 0 | 107.3 | G9 | V7-G9 PolarHBondContact O-N 3.43Š|
| 8 | E | 47.4 | Very low | 50.1 | Low | 144 Ų | 144 | 116.5 Ų | 116.5 | 67% | 0.673 | 62% | 0.622 | S | S | * | * | | | trans | -71 | 95.1 | 171.5 | -165.9 | 176.6 | -179.2 | 0 | 0 | 108.6 | Q6 | Q6-E8 PolarHBondContact O-N 2.97Š|
| 9 | G | 48.4 | Very low | 50.4 | Low | 31 Ų | 31 | 114.3 Ų | 114.3 | 32% | 0.32 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.2 | 109.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | V7 | V7-G9 PolarHBondContact O-N 3.43Å |
| 10 | V | 50.6 | Low | 51 | Low | 81 Ų | 81 | 115.8 Ų | 115.8 | 49% | 0.491 | 62% | 0.624 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.8 | 105.7 | 171.4 | 176.2 | 0 | 0 | 0 | 0 | 108.8 | V30 | V10-V30 HydrophobicContact CG1-CG1 3.56Å |
| 11 | L | 47.7 | Very low | 51.6 | Low | 114 Ų | 114 | 117.2 Ų | 117.2 | 60% | 0.597 | 63% | 0.63 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 105.7 | 168.5 | -163.9 | 81 | 0 | 0 | 0 | 108.4 | V13 V31 | L11-V13 HydrophobicContact CD2-CG2 3.74Å; L11-V13 HydrophobicContact CG-CG2 3.95Å; L11-V31 HydrophobicContact CB-CB 4.47Å; L11-V31 PolarHBondContact N-O 2.97Å; L11-V31 PolarHBondContact O-N 3.45Å |
| 12 | A | 52.1 | Low | 52.2 | Low | 61 Ų | 61 | 108.3 Ų | 108.3 | 50% | 0.504 | 60% | 0.601 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.4 | 106.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V29 | A12-V29 WeakPolarHBondContact CA-O 3.35Å |
| 13 | V | 56.6 | Low | 53 | Low | 66 Ų | 66 | 104.2 Ų | 104.2 | 40% | 0.4 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.1 | 114.7 | 176.7 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | L11 V15 V29 | L11-V13 HydrophobicContact CD2-CG2 3.74Å; L11-V13 HydrophobicContact CG-CG2 3.95Å; V13-V15 PolarHBondContact O-N 2.87Å; V13-V29 VanDerWaalsContact O-N 3.09Å; V13-V29 PolarHBondContact O-N 2.88Å; V13-V29 PolarHBondContact N-O 3.38Å |
| 14 | P | 54.6 | Low | 53.7 | Low | 87 Ų | 87 | 102 Ų | 102 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.2 | 112.4 | 176.6 | 28.1 | -31.5 | 0 | 0 | 0 | 109.6 | V26 | P14-V26 HydrophobicContact CB-CG1 4.2Å |
| 15 | V | 58.8 | Low | 54.5 | Low | 70 Ų | 70 | 100.2 Ų | 100.2 | 42% | 0.424 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.4 | 123.9 | 175.2 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | V13 A17 V27 V29 | V13-V15 PolarHBondContact O-N 2.87Å; V15-A17 PolarHBondContact O-N 2.96Å; V15-V27 PolarHBondContact N-O 3.23Å; V15-V27 PolarHBondContact O-N 3.09Å; V15-V29 HydrophobicContact CB-CG2 4.39Å; V15-V29 HydrophobicContact CG2-CG2 3.75Å |
| 16 | R | 58.5 | Low | 55 | Low | 208 Ų | 208 | 97.1 Ų | 97.1 | 79% | 0.785 | 56% | 0.556 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -83.2 | 108.8 | 169.8 | -66.9 | -175.4 | -179.2 | -169.8 | 0.4 | 108.3 | V24 | R16-V24 HydrophobicContact CB-CG1 4.12Å; R16-V24 HydrophobicContact CG-CG1 4.33Å |
| 17 | A | 58.4 | Low | 55.6 | Low | 42 Ų | 42 | 91.8 Ų | 91.8 | 35% | 0.347 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V15 N19 D25 V27 | V15-A17 PolarHBondContact O-N 2.96Å; A17-N19 PolarHBondContact O-N 3.4Å; A17-D25 PolarHBondContact O-N 2.92Å; A17-D25 PolarHBondContact N-O 2.98Å; A17-V27 HydrophobicContact CB-CG2 4.41Å |
| 18 | L | 52.5 | Low | 56 | Low | 142 Ų | 142 | 89.8 Ų | 89.8 | 74% | 0.743 | 52% | 0.519 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79 | 113.4 | 165.2 | -101.6 | 122.5 | 0 | 0 | 0 | 108 | V24 | L18-V24 HydrophobicContact CG-CG2 4.41Å |
| 19 | N | 57.2 | Low | 56.4 | Low | 74 Ų | 74 | 83.7 Ų | 83.7 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | | | trans | -75.9 | 152 | 167.6 | -165.2 | -7.6 | 0 | 0 | 0 | 109.2 | A17 L21 G22 V23 | A17-N19 PolarHBondContact O-N 3.4Å; N19-L21 PolarHBondContact O-N 3.47Å; N19-G22 PolarHBondContact O-N 2.96Å; N19-V23 PolarHBondContact N-O 3.07Å |
| 20 | V | 61.1 | Low | 56.8 | Low | 145 Ų | 145 | 83.2 Ų | 83.2 | 88% | 0.879 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -13.5 | -179.4 | -80.3 | 0 | 0 | 0 | 0 | 114.2 | | |
| 21 | L | 64.3 | Low | 57.1 | Low | 146 Ų | 146 | 80.9 Ų | 80.9 | 76% | 0.764 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 7.8 | 174 | -64 | 173.6 | 0 | 0 | 0 | 114.3 | N19 V23 | N19-L21 PolarHBondContact O-N 3.47Å; L21-V23 VanDerWaalsContact C-N 3.29Å; L21-V23 PolarHBondContact O-N 2.87Å |
| 22 | G | 56.6 | Low | 57.5 | Low | 56 Ų | 56 | 78.1 Ų | 78.1 | 58% | 0.577 | 45% | 0.452 | S | S | * | . | S | Bend | trans | 78.6 | 7.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | N19 | N19-G22 PolarHBondContact O-N 2.96Š|
| 23 | V | 59.7 | Low | 57.6 | Low | 74 Ų | 74 | 77.8 Ų | 77.8 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | | | trans | -82.5 | 123.6 | 174.6 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | N19 L21 D25 | N19-V23 PolarHBondContact N-O 3.07Å; L21-V23 VanDerWaalsContact C-N 3.29Å; L21-V23 PolarHBondContact O-N 2.87Å; V23-D25 PolarHBondContact O-N 3.36Å |
| 24 | V | 58.5 | Low | 57.7 | Low | 80 Ų | 80 | 77 Ų | 77 | 49% | 0.485 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 101.9 | 169.7 | -179.3 | 0 | 0 | 0 | 0 | 107.4 | R16 L18 | R16-V24 HydrophobicContact CB-CG1 4.12Å; R16-V24 HydrophobicContact CG-CG1 4.33Å; L18-V24 HydrophobicContact CG-CG2 4.41Å |
| 25 | D | 60 | Low | 57.9 | Low | 83 Ų | 83 | 75.3 Ų | 75.3 | 44% | 0.444 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.5 | 169.6 | -82.2 | -37.9 | 0 | 0 | 0 | 109 | A17 V23 | A17-D25 PolarHBondContact O-N 2.92Å; A17-D25 PolarHBondContact N-O 2.98Å; V23-D25 PolarHBondContact O-N 3.36Å |
| 26 | V | 58.3 | Low | 57.9 | Low | 84 Ų | 84 | 77 Ų | 77 | 51% | 0.509 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 113.6 | 169.1 | -177.2 | 0 | 0 | 0 | 0 | 106.9 | P14 | P14-V26 HydrophobicContact CB-CG1 4.2Å |
| 27 | V | 57.3 | Low | 58 | Low | 29 Ų | 29 | 72.5 Ų | 72.5 | 18% | 0.176 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120 | 175.3 | -173.7 | 0 | 0 | 0 | 0 | 107.9 | V15 A17 V29 V55 | V15-V27 PolarHBondContact N-O 3.23Å; V15-V27 PolarHBondContact O-N 3.09Å; A17-V27 HydrophobicContact CB-CG2 4.41Å; V27-V29 PolarHBondContact O-N 2.85Å; V27-V55 HydrophobicContact CG1-CG1 3.74Å |
| 28 | D | 58.2 | Low | 58.2 | Low | 68 Ų | 68 | 72.5 Ų | 72.5 | 36% | 0.364 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 109 | 170.6 | -65.2 | -39.9 | 0 | 0 | 0 | 108 | | |
| 29 | V | 55 | Low | 58.7 | Low | 17 Ų | 17 | 70.7 Ų | 70.7 | 10% | 0.103 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 118.7 | 172.7 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | A12 V13 V15 V27 V31 E53 | A12-V29 WeakPolarHBondContact CA-O 3.35Å; V13-V29 VanDerWaalsContact O-N 3.09Å; V13-V29 PolarHBondContact O-N 2.88Å; V13-V29 PolarHBondContact N-O 3.38Å; V15-V29 HydrophobicContact CB-CG2 4.39Å; V15-V29 HydrophobicContact CG2-CG2 3.75Å; V27-V29 PolarHBondContact O-N 2.85Å; V29-V31 HydrophobicContact CG1-CG2 4.12Å; V29-E53 HydrophobicContact CG1-CG 4.04Å |
| 30 | V | 57 | Low | 59.1 | Low | 21 Ų | 21 | 70 Ų | 70 | 13% | 0.127 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 113.3 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 106.6 | V10 E32 M54 | V10-V30 HydrophobicContact CG1-CG1 3.56Å; V30-E32 HydrophobicContact CG1-CG 4.15Å; V30-M54 PolarHBondContact N-O 3.47Å; V30-M54 PolarHBondContact O-N 3.44Å; V30-M54 VanDerWaalsContact O-N 3.15Å; V30-M54 VanDerWaalsContact O-O 3.13Å |
| 31 | V | 56.1 | Low | 59.6 | Low | 32 Ų | 32 | 71 Ų | 71 | 19% | 0.194 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 113.1 | 172.8 | -174.6 | 0 | 0 | 0 | 0 | 107.9 | L11 V29 T33 P51 | L11-V31 HydrophobicContact CB-CB 4.47Å; L11-V31 PolarHBondContact N-O 2.97Å; L11-V31 PolarHBondContact O-N 3.45Å; V29-V31 HydrophobicContact CG1-CG2 4.12Å; V31-T33 HydrophobicContact CG1-CG2 4.38Å; V31-P51 HydrophobicContact CG1-CB 3.27Å; V31-P51 HydrophobicContact CG1-CG 4.41Å |
| 32 | E | 57.4 | Low | 60 | Low | 56 Ų | 56 | 67.2 Ų | 67.2 | 26% | 0.262 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 116.2 | 172.1 | -70.5 | 171.2 | -163.1 | 0 | 0 | 107.6 | V30 R52 K56 | V30-E32 HydrophobicContact CG1-CG 4.15Å; E32-R52 PolarHBondContact O-N 3.24Å; E32-K56 IonicContact OE1-NZ 3.92Å |
| 33 | T | 54 | Low | 60.7 | Low | 54 Ų | 54 | 71.4 Ų | 71.4 | 33% | 0.331 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 120 | 170.5 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | V31 P51 | V31-T33 HydrophobicContact CG1-CG2 4.38Å; T33-P51 HydrophobicContact CG2-CB 3.79Å; T33-P51 HydrophobicContact CG2-CG 4.48Å |
| 34 | V | 58.5 | Low | 61 | Low | 50 Ų | 50 | 73.4 Ų | 73.4 | 30% | 0.303 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 118.6 | 172.6 | -176 | 0 | 0 | 0 | 0 | 108.1 | E36 E49 | V34-E36 HydrophobicContact CG1-CG 4.2Å; V34-E49 HydrophobicContact CB-CB 4.31Å; V34-E49 PolarHBondContact O-N 2.91Å |
| 35 | V | 58.8 | Low | 61.2 | Low | 50 Ų | 50 | 72.3 Ų | 72.3 | 30% | 0.303 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 116.5 | 171.5 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | T46 | V35-T46 HydrophobicContact CG1-CG2 3.32Å |
| 36 | E | 57.6 | Low | 61.4 | Low | 105 Ų | 105 | 72.3 Ų | 72.3 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 116.1 | 173 | -75 | -169.2 | 150.9 | 0 | 0 | 109.2 | V34 V38 K47 | V34-E36 HydrophobicContact CG1-CG 4.2Å; E36-V38 HydrophobicContact CB-CG2 4.17Å; E36-V38 PolarHBondContact O-N 3.01Å; E36-K47 PolarHBondContact N-O 3.12Å; E36-K47 PolarHBondContact O-N 3.22Å |
| 37 | D | 61.5 | Low | 61.7 | Low | 114 Ų | 114 | 73.8 Ų | 73.8 | 61% | 0.61 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 114.7 | 166.7 | -73.1 | -34.9 | 0 | 0 | 0 | 109.3 | T46 | D37-T46 VanDerWaalsContact OD1-CB 3.25Å; D37-T46 PolarHBondContact OD1-OG1 3.47Å; D37-T46 WeakPolarHBondContact OD1-CG2 3.26Å; D37-T46 VanDerWaalsContact OD1-CG2 3.26Å; D37-T46 WeakPolarHBondContact OD1-CB 3.34Å; D37-T46 WeakPolarHBondContact OD1-CA 3.25Å |
| 38 | V | 63.6 | Low | 62 | Low | 43 Ų | 43 | 77.2 Ų | 77.2 | 26% | 0.261 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 125.7 | -178.1 | -172.7 | 0 | 0 | 0 | 0 | 109 | E36 V40 T45 K47 | E36-V38 HydrophobicContact CB-CG2 4.17Å; E36-V38 PolarHBondContact O-N 3.01Å; V38-V40 HydrophobicContact CB-CG2 4.47Å; V38-V40 HydrophobicContact CG1-CG2 3.88Å; V38-V40 PolarHBondContact O-N 3.05Å; V38-T45 PolarHBondContact O-N 3.24Å; V38-T45 WeakPolarHBondContact O-CB 3.41Å; V38-T45 VanDerWaalsContact O-CB 3.3Å; V38-T45 CarbonylContact O-C 3.48Å; V38-T45 PolarHBondContact N-O 3.24Å; V38-T45 CarbonylContact C-O 3.54Å; V38-T45 WeakPolarHBondContact O-CA 3.46Å; V38-K47 HydrophobicContact CG2-CD 4.07Å; V38-K47 HydrophobicContact CG2-CG 4.4Å |
| 39 | V | 63 | Low | 62.1 | Low | 103 Ų | 103 | 78.6 Ų | 78.6 | 62% | 0.624 | 45% | 0.447 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 113.6 | 171.6 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | E43 | V39-E43 WeakPolarHBondContact CA-O 3.3Å |
| 40 | V | 64.4 | Low | 62.3 | Low | 61 Ų | 61 | 86.5 Ų | 86.5 | 37% | 0.37 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.1 | 177.1 | -174.5 | 0 | 0 | 0 | 0 | 107.9 | V38 G42 E43 | V38-V40 HydrophobicContact CB-CG2 4.47Å; V38-V40 HydrophobicContact CG1-CG2 3.88Å; V38-V40 PolarHBondContact O-N 3.05Å; V40-G42 PolarHBondContact O-N 3.15Å; V40-E43 PolarHBondContact N-O 2.8Å; V40-E43 PolarHBondContact O-N 3.19Å; V40-E43 VanDerWaalsContact O-N 3.1Å |
| 41 | N | 72.3 | Confident | 62.4 | Low | 165 Ų | 165 | 89 Ų | 89 | 88% | 0.882 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 27.6 | -179 | -60.8 | -21.8 | 0 | 0 | 0 | 115.5 | E43 | N41-E43 VanDerWaalsContact C-N 3.32Š|
| 42 | G | 71.8 | Confident | 62.6 | Low | 66 Ų | 66 | 96 Ų | 96 | 68% | 0.68 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -1.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | V40 | V40-G42 PolarHBondContact O-N 3.15Š|
| 43 | E | 71.1 | Confident | 62.4 | Low | 145 Ų | 145 | 100.2 Ų | 100.2 | 68% | 0.678 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.4 | 171.1 | -69.1 | -163.1 | 114.4 | 0 | 0 | 111.1 | V39 V40 N41 T45 | V39-E43 WeakPolarHBondContact CA-O 3.3Å; V40-E43 PolarHBondContact N-O 2.8Å; V40-E43 PolarHBondContact O-N 3.19Å; V40-E43 VanDerWaalsContact O-N 3.1Å; N41-E43 VanDerWaalsContact C-N 3.32Å; E43-T45 PolarHBondContact O-N 3.2Å |
| 44 | P | 66.3 | Low | 62.4 | Low | 116 Ų | 116 | 100.7 Ų | 100.7 | 75% | 0.753 | 54% | 0.539 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 120.1 | 173.4 | 28.5 | -32.1 | 0 | 0 | 0 | 109.5 | | |
| 45 | T | 62.7 | Low | 62.2 | Low | 57 Ų | 57 | 102.5 Ų | 102.5 | 35% | 0.35 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.1 | 119.2 | 178.6 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | V38 E43 | V38-T45 PolarHBondContact O-N 3.24Å; V38-T45 WeakPolarHBondContact O-CB 3.41Å; V38-T45 VanDerWaalsContact O-CB 3.3Å; V38-T45 CarbonylContact O-C 3.48Å; V38-T45 PolarHBondContact N-O 3.24Å; V38-T45 CarbonylContact C-O 3.54Å; V38-T45 WeakPolarHBondContact O-CA 3.46Å; E43-T45 PolarHBondContact O-N 3.2Å |
| 46 | T | 65.4 | Low | 62.2 | Low | 83 Ų | 83 | 105.5 Ų | 105.5 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 120.8 | 173.2 | -54.1 | 0 | 0 | 0 | 0 | 110.1 | V35 D37 | V35-T46 HydrophobicContact CG1-CG2 3.32Å; D37-T46 VanDerWaalsContact OD1-CB 3.25Å; D37-T46 PolarHBondContact OD1-OG1 3.47Å; D37-T46 WeakPolarHBondContact OD1-CG2 3.26Å; D37-T46 VanDerWaalsContact OD1-CG2 3.26Å; D37-T46 WeakPolarHBondContact OD1-CB 3.34Å; D37-T46 WeakPolarHBondContact OD1-CA 3.25Å |
| 47 | K | 63.9 | Low | 62 | Low | 115 Ų | 115 | 105 Ų | 105 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.7 | 113.1 | 168.4 | -71.1 | -175.2 | -178.9 | 176.4 | 0 | 108.8 | E36 V38 | E36-K47 PolarHBondContact N-O 3.12Å; E36-K47 PolarHBondContact O-N 3.22Å; V38-K47 HydrophobicContact CG2-CD 4.07Å; V38-K47 HydrophobicContact CG2-CG 4.4Å |
| 48 | T | 62.6 | Low | 61.8 | Low | 100 Ų | 100 | 108.3 Ų | 108.3 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.6 | 169.6 | -48.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 49 | E | 61.7 | Low | 61.1 | Low | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.453 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 142.2 | 166.8 | -165.6 | 175.9 | 145.7 | 0 | 0 | 108.4 | V34 | V34-E49 HydrophobicContact CB-CB 4.31Å; V34-E49 PolarHBondContact O-N 2.91Å |
| 50 | K | 58.8 | Low | 60.8 | Low | 183 Ų | 183 | 114.3 Ų | 114.3 | 80% | 0.796 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 139.1 | 179.2 | -78 | -177.9 | 177.4 | 178.6 | 0 | 109.6 | R52 | K50-R52 PolarHBondContact O-N 2.64Š|
| 51 | P | 59.3 | Low | 60 | Low | 74 Ų | 74 | 122.4 Ų | 122.4 | 48% | 0.481 | 62% | 0.621 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 127.7 | 176.1 | 16.8 | -28.2 | 0 | 0 | 0 | 110.4 | V31 T33 E53 | V31-P51 HydrophobicContact CG1-CB 3.27Å; V31-P51 HydrophobicContact CG1-CG 4.41Å; T33-P51 HydrophobicContact CG2-CB 3.79Å; T33-P51 HydrophobicContact CG2-CG 4.48Å; P51-E53 PolarHBondContact O-N 2.99Å |
| 52 | R | 59.7 | Low | 58.9 | Low | 178 Ų | 178 | 128 Ų | 128 | 67% | 0.672 | 64% | 0.637 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -84 | 111.3 | 166.5 | -79.9 | -178.3 | 155.5 | -179.6 | -3.4 | 107.2 | E32 K50 M54 | E32-R52 PolarHBondContact O-N 3.24Å; K50-R52 PolarHBondContact O-N 2.64Å; R52-M54 PolarHBondContact O-N 2.8Å |
| 53 | E | 53.6 | Low | 58.3 | Low | 145 Ų | 145 | 131.1 Ų | 131.1 | 68% | 0.678 | 64% | 0.635 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.4 | 111.2 | 174.6 | -168.4 | 177.9 | 165.3 | 0 | 0 | 109 | V29 P51 V55 | V29-E53 HydrophobicContact CG1-CG 4.04Å; P51-E53 PolarHBondContact O-N 2.99Å; E53-V55 HydrophobicContact CG-CG2 4.49Å |
| 54 | M | 54.9 | Low | 57.6 | Low | 65 Ų | 65 | 130.4 Ų | 130.4 | 32% | 0.32 | 63% | 0.633 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.8 | 101.3 | 175.5 | -82 | 178.3 | 39.6 | 0 | 0 | 109.8 | V30 R52 K56 | V30-M54 PolarHBondContact N-O 3.47Å; V30-M54 PolarHBondContact O-N 3.44Å; V30-M54 VanDerWaalsContact O-N 3.15Å; V30-M54 VanDerWaalsContact O-O 3.13Å; R52-M54 PolarHBondContact O-N 2.8Å; M54-K56 PolarHBondContact O-N 2.78Å; M54-K56 VanDerWaalsContact O-N 3.12Å |
| 55 | V | 53.2 | Low | 57.1 | Low | 88 Ų | 88 | 131.2 Ų | 131.2 | 53% | 0.533 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.7 | 95.3 | 172.6 | -176 | 0 | 0 | 0 | 0 | 108.8 | V27 E53 S57 | V27-V55 HydrophobicContact CG1-CG1 3.74Å; E53-V55 HydrophobicContact CG-CG2 4.49Å; V55-S57 PolarHBondContact O-N 3.29Å |
| 56 | K | 58 | Low | 56.8 | Low | 113 Ų | 113 | 135.5 Ų | 135.5 | 49% | 0.491 | 64% | 0.643 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.4 | 90.8 | 168.7 | -70.3 | -179.1 | -174 | 161.4 | 0 | 108.5 | E32 M54 R58 | E32-K56 IonicContact OE1-NZ 3.92Å; M54-K56 PolarHBondContact O-N 2.78Å; M54-K56 VanDerWaalsContact O-N 3.12Å; K56-R58 PolarHBondContact O-N 2.82Å; K56-R58 VanDerWaalsContact O-N 3.07Å |
| 57 | S | 54.4 | Low | 56.2 | Low | 94 Ų | 94 | 138.8 Ų | 138.8 | 66% | 0.657 | 65% | 0.651 | S | S | * | * | | | trans | -63.2 | 108.4 | 168.1 | 168.9 | 0 | 0 | 0 | 0 | 109.5 | V55 S59 | V55-S57 PolarHBondContact O-N 3.29Å; S57-S59 PolarHBondContact O-N 3.43Å |
| 58 | R | 57.6 | Low | 55.7 | Low | 184 Ų | 184 | 140.4 Ų | 140.4 | 69% | 0.694 | 66% | 0.661 | S | S | * | * | | | trans | -92.9 | 91.4 | 170.5 | -166.8 | 176.7 | -176.1 | 179.4 | 4.2 | 108.6 | K56 K60 | K56-R58 PolarHBondContact O-N 2.82Å; K56-R58 VanDerWaalsContact O-N 3.07Å; R58-K60 PolarHBondContact O-N 3.01Å |
| 59 | S | 49.3 | Very low | 55.2 | Low | 93 Ų | 93 | 143.3 Ų | 143.3 | 65% | 0.65 | 66% | 0.664 | S | S | * | * | | | trans | -62.1 | 105.5 | 171.3 | -164.4 | 0 | 0 | 0 | 0 | 109.3 | S57 R61 | S57-S59 PolarHBondContact O-N 3.43Å; S59-R61 VanDerWaalsContact C-N 3.26Å; S59-R61 PolarHBondContact O-N 3.1Å |
| 60 | K | 56.9 | Low | 54.7 | Low | 179 Ų | 179 | 146.8 Ų | 146.8 | 78% | 0.778 | 68% | 0.681 | S | S | * | * | | | trans | -72.9 | 84.8 | 169.4 | -73.3 | -95.2 | -173 | 167 | 0 | 107.6 | R58 K62 | R58-K60 PolarHBondContact O-N 3.01Å; K60-K62 PolarHBondContact O-N 3.18Å |
| 61 | R | 46.4 | Very low | 54.4 | Low | 231 Ų | 231 | 143.8 Ų | 143.8 | 87% | 0.872 | 67% | 0.671 | S | S | * | * | | | trans | -75.3 | 106.2 | 161.9 | -78.5 | -173.2 | -174.2 | 165.6 | 1.8 | 108.5 | S59 | S59-R61 VanDerWaalsContact C-N 3.26Å; S59-R61 PolarHBondContact O-N 3.1Å |
| 62 | K | 49.5 | Very low | 54 | Low | 282 Ų | 282 | 150.2 Ų | 150.2 | 100% | 1.226 | 69% | 0.688 | S | S | * | * | | | trans | -174.3 | 0 | 131 | -97.3 | -167 | -173.9 | -168.6 | 0 | 109.5 | K60 | K60-K62 PolarHBondContact O-N 3.18Š|