| 1 | M | 56.8 | Low | 68.2 | Low | 192 Ų | 192 | 118.4 Ų | 118.4 | 95% | 0.946 | 62% | 0.616 | S | S | * | * | | | | 0 | 113.6 | 0 | -162.2 | 174.9 | -150.2 | 0 | 0 | 105.1 | L24 | M1-L24 HydrophobicContact CE-CD1 3.52Š|
| 2 | E | 54.4 | Low | 69.9 | Low | 195 Ų | 195 | 117.5 Ų | 117.5 | 91% | 0.911 | 61% | 0.612 | S | S | * | * | | | trans | -95.6 | 131.1 | -174.5 | -68.2 | -178.9 | 173.5 | 0 | 0 | 109.2 | | |
| 3 | E | 54.5 | Low | 70.8 | Confident | 135 Ų | 135 | 110.5 Ų | 110.5 | 63% | 0.631 | 59% | 0.586 | S | S | * | * | | | trans | -77.2 | 122.5 | -179.7 | -66.6 | 176.2 | 167 | 0 | 0 | 110.1 | W19 | E3-W19 HydrophobicContact CB-CE3 4.47Å; E3-W19 WeakPolarHBondContact OE2-CZ3 3.25Å; E3-W19 VanDerWaalsContact OE2-CZ3 3.25Å; E3-W19 HydrophobicContact CG-CZ3 4.45Å; E3-W19 HydrophobicContact CB-CZ3 4.18Å |
| 4 | L | 63.5 | Low | 71.7 | Confident | 115 Ų | 115 | 105.4 Ų | 105.4 | 60% | 0.602 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96 | 101.9 | 172.3 | -172.9 | 69.7 | 0 | 0 | 0 | 109.1 | V6 | L4-V6 HydrophobicContact CD2-CG1 4.18Å; L4-V6 HydrophobicContact CG-CG1 4.14Å; L4-V6 PolarHBondContact O-N 2.82Å |
| 5 | V | 61.6 | Low | 72.1 | Confident | 77 Ų | 77 | 106.9 Ų | 106.9 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -76.8 | 113.8 | 175.9 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | W19 | V5-W19 HydrophobicContact CG2-CE3 4.28Å; V5-W19 HydrophobicContact CG2-CH2 4.18Å; V5-W19 HydrophobicContact CG2-CZ3 3.73Å |
| 6 | V | 72.2 | Confident | 72.5 | Confident | 47 Ų | 47 | 107.8 Ų | 107.8 | 29% | 0.285 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.5 | 143.1 | 174.6 | -71.6 | 0 | 0 | 0 | 0 | 110.6 | L4 H18 D20 | L4-V6 HydrophobicContact CD2-CG1 4.18Å; L4-V6 HydrophobicContact CG-CG1 4.14Å; L4-V6 PolarHBondContact O-N 2.82Å; V6-H18 HydrophobicContact CG2-CB 4.22Å; V6-H18 WeakPolarHBondContact CG2-O 3.35Å; V6-H18 PolarHBondContact N-O 2.83Å; V6-H18 PolarHBondContact O-N 3.29Å; V6-D20 HydrophobicContact CG2-CB 4.06Å |
| 7 | E | 71.1 | Confident | 72.5 | Confident | 136 Ų | 136 | 110.8 Ų | 110.8 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -96 | 123.1 | 173.2 | -67.4 | -170.4 | 146.1 | 0 | 0 | 109.7 | F15 Y16 | E7-F15 HydrophobicContact CB-CB 4.5Å; E7-F15 HydrophobicContact CB-CD1 4.17Å; E7-Y16 WeakPolarHBondContact CA-O 3.46Å |
| 8 | V | 77.1 | Confident | 72.5 | Confident | 71 Ų | 71 | 110.1 Ų | 110.1 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 131.7 | 178.8 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | F15 Y16 H18 | V8-F15 CarbonylContact O-C 3.51Å; V8-F15 WeakPolarHBondContact O-CA 3.44Å; V8-Y16 PolarHBondContact N-O 2.88Å; V8-Y16 PolarHBondContact O-N 2.81Å; V8-H18 HydrophobicContact CB-CB 4.31Å; V8-H18 HydrophobicContact CG2-CB 3.53Å |
| 9 | R | 79.4 | Confident | 72.3 | Confident | 170 Ų | 170 | 111 Ų | 111 | 64% | 0.642 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.3 | 119.7 | 177.8 | -166.4 | 176.7 | -177.3 | -162.6 | -4.8 | 111 | G13 A14 F15 | R9-G13 PolarHBondContact NE-O 2.83Å; R9-A14 CarbonylContact C-O 3.6Å; R9-A14 WeakPolarHBondContact CA-O 3.46Å; R9-F15 HydrophobicContact CB-CD1 4.08Å; R9-F15 HydrophobicContact CG-CZ 4.23Å; R9-F15 HydrophobicContact CG-CE1 4.22Å; R9-F15 HydrophobicContact CB-CE1 3.85Å; R9-F15 HydrophobicContact CB-CZ 4.34Å |
| 10 | G | 82.1 | Confident | 71.9 | Confident | 23 Ų | 23 | 109.4 Ų | 109.4 | 24% | 0.237 | 55% | 0.551 | C | S | . | * | | | trans | -72.1 | 165.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | N12 G13 A14 | G10-N12 PolarHBondContact O-N 3.31Å; G10-G13 WeakPolarHBondContact O-CA 3.38Å; G10-G13 PolarHBondContact O-N 3.48Å; G10-A14 PolarHBondContact N-O 2.87Å |
| 11 | S | 77.9 | Confident | 71.4 | Confident | 141 Ų | 141 | 110.8 Ų | 110.8 | 99% | 0.986 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.3 | -23.2 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | G13 | S11-G13 PolarHBondContact O-N 2.85Š|
| 12 | N | 88.2 | Confident | 71.5 | Confident | 108 Ų | 108 | 103.6 Ų | 103.6 | 58% | 0.578 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -0.9 | 171.1 | 62.8 | -0.5 | 0 | 0 | 0 | 113.3 | G10 A14 Y16 | G10-N12 PolarHBondContact O-N 3.31Å; N12-A14 WeakPolarHBondContact OD1-CB 3.45Å; N12-A14 PolarHBondContact OD1-N 2.76Å; N12-A14 VanDerWaalsContact OD1-N 3.09Å; N12-Y16 PolarHBondContact ND2-OH 2.74Å |
| 13 | G | 81.7 | Confident | 71.9 | Confident | 26 Ų | 26 | 102.6 Ų | 102.6 | 27% | 0.268 | 53% | 0.525 | S | S | . | . | S | Bend | trans | 85.9 | -2.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R9 G10 S11 | R9-G13 PolarHBondContact NE-O 2.83Å; G10-G13 WeakPolarHBondContact O-CA 3.38Å; G10-G13 PolarHBondContact O-N 3.48Å; S11-G13 PolarHBondContact O-N 2.85Å |
| 14 | A | 84.2 | Confident | 72 | Confident | 40 Ų | 40 | 101.8 Ų | 101.8 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | | | trans | -80.3 | 152.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R9 G10 N12 Y16 | R9-A14 CarbonylContact C-O 3.6Å; R9-A14 WeakPolarHBondContact CA-O 3.46Å; G10-A14 PolarHBondContact N-O 2.87Å; N12-A14 WeakPolarHBondContact OD1-CB 3.45Å; N12-A14 PolarHBondContact OD1-N 2.76Å; N12-A14 VanDerWaalsContact OD1-N 3.09Å; A14-Y16 HydrophobicContact CB-CE2 3.87Å |
| 15 | F | 77.4 | Confident | 71.4 | Confident | 128 Ų | 128 | 103.6 Ų | 103.6 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 133.5 | 175.7 | -69.7 | -88.7 | 0 | 0 | 0 | 111 | E7 V8 R9 | E7-F15 HydrophobicContact CB-CB 4.5Å; E7-F15 HydrophobicContact CB-CD1 4.17Å; V8-F15 CarbonylContact O-C 3.51Å; V8-F15 WeakPolarHBondContact O-CA 3.44Å; R9-F15 HydrophobicContact CB-CD1 4.08Å; R9-F15 HydrophobicContact CG-CZ 4.23Å; R9-F15 HydrophobicContact CG-CE1 4.22Å; R9-F15 HydrophobicContact CB-CE1 3.85Å; R9-F15 HydrophobicContact CB-CZ 4.34Å |
| 16 | Y | 77.4 | Confident | 71 | Confident | 120 Ų | 120 | 104.9 Ų | 104.9 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139.2 | 179.1 | -61.1 | -87.6 | 0 | 0 | 0 | 109.6 | E7 V8 N12 A14 H18 | E7-Y16 WeakPolarHBondContact CA-O 3.46Å; V8-Y16 PolarHBondContact N-O 2.88Å; V8-Y16 PolarHBondContact O-N 2.81Å; N12-Y16 PolarHBondContact ND2-OH 2.74Å; A14-Y16 HydrophobicContact CB-CE2 3.87Å; Y16-H18 PolarHBondContact O-N 3.49Å |
| 17 | K | 74 | Confident | 70.5 | Confident | 159 Ų | 159 | 107.7 Ų | 107.7 | 69% | 0.691 | 56% | 0.562 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -67.5 | 121.6 | 170.5 | -66.3 | -175.8 | 178.1 | -175.1 | 0 | 108.5 | | |
| 18 | H | 72.1 | Confident | 69.7 | Low | 98 Ų | 98 | 104.9 Ų | 104.9 | 45% | 0.454 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.6 | 133.2 | 173.7 | -176 | 72.7 | 0 | 0 | 0 | 108.7 | V6 V8 Y16 | V6-H18 HydrophobicContact CG2-CB 4.22Å; V6-H18 WeakPolarHBondContact CG2-O 3.35Å; V6-H18 PolarHBondContact N-O 2.83Å; V6-H18 PolarHBondContact O-N 3.29Å; V8-H18 HydrophobicContact CB-CB 4.31Å; V8-H18 HydrophobicContact CG2-CB 3.53Å; Y16-H18 PolarHBondContact O-N 3.49Å |
| 19 | W | 68 | Low | 68.8 | Low | 128 Ų | 128 | 113.3 Ų | 113.3 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 102.9 | 175 | -59.4 | 96.7 | 0 | 0 | 0 | 107.1 | E3 V5 F21 | E3-W19 HydrophobicContact CB-CE3 4.47Å; E3-W19 WeakPolarHBondContact OE2-CZ3 3.25Å; E3-W19 VanDerWaalsContact OE2-CZ3 3.25Å; E3-W19 HydrophobicContact CG-CZ3 4.45Å; E3-W19 HydrophobicContact CB-CZ3 4.18Å; V5-W19 HydrophobicContact CG2-CE3 4.28Å; V5-W19 HydrophobicContact CG2-CH2 4.18Å; V5-W19 HydrophobicContact CG2-CZ3 3.73Å; W19-F21 HydrophobicContact CB-CE2 3.86Å; W19-F21 HydrophobicContact CB-CZ 4.35Å |
| 20 | D | 64.2 | Low | 67.4 | Low | 78 Ų | 78 | 108.3 Ų | 108.3 | 42% | 0.417 | 60% | 0.595 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.9 | 115.6 | 170.4 | -170.9 | 1.7 | 0 | 0 | 0 | 108.1 | V6 G22 | V6-D20 HydrophobicContact CG2-CB 4.06Å; D20-G22 PolarHBondContact O-N 2.87Å; D20-G22 WeakPolarHBondContact OD1-CA 3.47Å; D20-G22 PolarHBondContact OD1-N 3.3Å |
| 21 | F | 62.4 | Low | 65.6 | Low | 140 Ų | 140 | 119.5 Ų | 119.5 | 61% | 0.614 | 65% | 0.648 | S | S | * | * | | | trans | -84.8 | 4.4 | 175.1 | -70.3 | -84.5 | 0 | 0 | 0 | 112 | W19 | W19-F21 HydrophobicContact CB-CE2 3.86Å; W19-F21 HydrophobicContact CB-CZ 4.35Å |
| 22 | G | 58.6 | Low | 64.9 | Low | 41 Ų | 41 | 118.4 Ų | 118.4 | 42% | 0.423 | 63% | 0.631 | S | S | . | * | | | trans | 66.2 | 145.1 | -164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | D20 L24 | D20-G22 PolarHBondContact O-N 2.87Å; D20-G22 WeakPolarHBondContact OD1-CA 3.47Å; D20-G22 PolarHBondContact OD1-N 3.3Å; G22-L24 PolarHBondContact O-N 2.99Å |
| 23 | E | 61.5 | Low | 63.7 | Low | 173 Ų | 173 | 118.9 Ų | 118.9 | 81% | 0.808 | 63% | 0.634 | S | S | * | * | | | trans | -54.5 | 108.6 | 165.6 | -83.8 | -175.8 | 161.3 | 0 | 0 | 108.5 | H25 | E23-H25 PolarHBondContact O-N 3.25Š|
| 24 | L | 57.8 | Low | 62.7 | Low | 118 Ų | 118 | 124.1 Ų | 124.1 | 62% | 0.618 | 65% | 0.654 | S | S | * | * | | | trans | -74.3 | 63.8 | 174.3 | -151.5 | 129 | 0 | 0 | 0 | 108.1 | M1 G22 C26 | M1-L24 HydrophobicContact CE-CD1 3.52Å; G22-L24 PolarHBondContact O-N 2.99Å; L24-C26 WeakPolarHBondContact CD2-SG 3.4Å; L24-C26 PolarHBondContact O-N 3.09Å |
| 25 | H | 51.5 | Low | 61.5 | Low | 153 Ų | 153 | 129.1 Ų | 129.1 | 71% | 0.708 | 67% | 0.673 | S | S | * | * | | | trans | -67.8 | 83.6 | 159.8 | -89.7 | -122.7 | 0 | 0 | 0 | 106.5 | E23 S27 | E23-H25 PolarHBondContact O-N 3.25Å; H25-S27 PolarHBondContact O-N 3.49Å |
| 26 | C | 52 | Low | 60.5 | Low | 104 Ų | 104 | 129.1 Ų | 129.1 | 70% | 0.703 | 68% | 0.68 | S | S | * | * | | | trans | -59.4 | 88.8 | 149.7 | -73.4 | 0 | 0 | 0 | 0 | 105.8 | L24 G28 | L24-C26 WeakPolarHBondContact CD2-SG 3.4Å; L24-C26 PolarHBondContact O-N 3.09Å; C26-G28 PolarHBondContact O-N 2.84Å |
| 27 | S | 62.1 | Low | 59.3 | Low | 107 Ų | 107 | 129.7 Ų | 129.7 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | | | trans | -65.1 | 79.4 | 159.7 | 59.4 | 0 | 0 | 0 | 0 | 106.8 | H25 R29 | H25-S27 PolarHBondContact O-N 3.49Å; S27-R29 PolarHBondContact O-N 2.75Å |
| 28 | G | 53.9 | Low | 58.3 | Low | 76 Ų | 76 | 127.6 Ų | 127.6 | 78% | 0.784 | 70% | 0.695 | S | S | * | * | | | trans | -68.9 | 67.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | C26 G30 | C26-G28 PolarHBondContact O-N 2.84Å; G28-G30 PolarHBondContact O-N 3.22Å |
| 29 | R | 59 | Low | 57.2 | Low | 248 Ų | 248 | 129.9 Ų | 129.9 | 94% | 0.936 | 71% | 0.713 | S | S | * | * | | | trans | -80.3 | 100.3 | 151 | -110.5 | -176.7 | 165.8 | -170.3 | -3.7 | 105.5 | S27 | S27-R29 PolarHBondContact O-N 2.75Š|
| 30 | G | 49.7 | Very low | 56.3 | Low | 66 Ų | 66 | 130.1 Ų | 130.1 | 68% | 0.68 | 73% | 0.732 | S | S | * | * | | | trans | 175.2 | 83.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | G28 | G28-G30 PolarHBondContact O-N 3.22Š|
| 31 | L | 43.2 | Very low | 55.6 | Low | 257 Ų | 257 | 134.8 Ų | 134.8 | 100% | 1.346 | 76% | 0.761 | S | S | * | * | | | trans | 76.4 | 0 | 166.8 | -55.3 | 174.5 | 0 | 0 | 0 | 117.8 | | |