| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | Y | 82 | Confident | 89.3 | Confident | 127 Ų | 127 | 92 Ų | 92 | 50% | 0.498 | 45% | 0.45 | S | S | . | . | 0 | 156.6 | 0 | -61.1 | -84.8 | 0 | 0 | 0 | 110 | E31 C34 L35 | Y1-E31 WeakPolarHBondContact CB-OE1 3.43Å; Y1-E31 WeakPolarHBondContact CD2-OE1 3.2Å; Y1-E31 HydrophobicContact CG-CG 4.3Å; Y1-C34 CarbonylContact C-O 3.59Å; Y1-C34 WeakPolarHBondContact CA-O 3.25Å; Y1-L35 HydrophobicContact CD1-CD2 4.11Å; Y1-L35 HydrophobicContact CE1-CD2 3.84Å | |||
| 2 | L | 88.6 | Confident | 89.5 | Confident | 31 Ų | 31 | 97.8 Ų | 97.8 | 16% | 0.162 | 46% | 0.463 | C | S | . | . | trans | -84.6 | 147.3 | 172.1 | -71 | 173.3 | 0 | 0 | 0 | 110.4 | T32 C34 L35 R36 P41 | L2-T32 WeakPolarHBondContact CB-OG1 3.45Å; L2-T32 WeakPolarHBondContact O-CB 2.92Å; L2-T32 PolarHBondContact O-N 3.24Å; L2-T32 PolarHBondContact O-OG1 3.08Å; L2-C34 HydrophobicContact CB-CB 4.45Å; L2-C34 HydrophobicContact CD1-CB 4.02Å; L2-C34 PolarHBondContact N-O 3.08Å; L2-L35 WeakPolarHBondContact CG-O 3.28Å; L2-R36 HydrophobicContact CD2-CG 4.36Å; L2-P41 HydrophobicContact CB-CB 4.3Å; L2-P41 HydrophobicContact CD1-CB 4.13Å | ||
| 3 | F | 89.6 | Confident | 89.6 | Confident | 127 Ų | 127 | 96 Ų | 96 | 56% | 0.557 | 46% | 0.463 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 146.1 | 172.1 | -68.9 | -92.7 | 0 | 0 | 0 | 109.3 | Q30 E31 | F3-Q30 WeakPolarHBondContact CA-O 3.4Å; F3-E31 HydrophobicContact CD1-CB 4.13Å; F3-E31 HydrophobicContact CE1-CB 3.75Å; F3-E31 HydrophobicContact CE1-CG 4.13Å; F3-E31 HydrophobicContact CZ-CB 4.34Å; F3-E31 HydrophobicContact CZ-CG 4.22Å |
| 4 | R | 89.4 | Confident | 89.6 | Confident | 87 Ų | 87 | 92.9 Ų | 92.9 | 33% | 0.328 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 138.2 | 175.8 | -178.1 | -178.7 | 176.4 | -178.2 | 6.4 | 110.1 | Q30 T32 P41 S42 F46 | R4-Q30 PolarHBondContact N-O 2.99Å; R4-Q30 PolarHBondContact O-N 2.89Å; R4-T32 HydrophobicContact CB-CG2 3.79Å; R4-P41 WeakPolarHBondContact CD-O 3.32Å; R4-S42 PolarHBondContact NH1-O 3.33Å; R4-F46 HydrophobicContact CB-CE1 3.91Å; R4-F46 HydrophobicContact CB-CZ 4.42Å; R4-F46 HydrophobicContact CG-CE1 4.27Å; R4-F46 HydrophobicContact CG-CZ 4.28Å |
| 5 | A | 89.9 | Confident | 89.6 | Confident | 58 Ų | 58 | 93.9 Ų | 93.9 | 48% | 0.479 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 138.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | F27 S28 | A5-F27 HydrophobicContact CB-CD2 4.01Å; A5-S28 CarbonylContact C-O 3.43Å; A5-S28 VanDerWaalsContact CA-O 3.28Å; A5-S28 WeakPolarHBondContact CA-O 3.24Å |
| 6 | T | 89.3 | Confident | 89.3 | Confident | 29 Ų | 29 | 95.8 Ų | 95.8 | 18% | 0.178 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 154.8 | -179.8 | 123.4 | 0 | 0 | 0 | 0 | 107.9 | S8 S28 Q30 F46 | T6-S8 PolarHBondContact O-N 2.94Å; T6-S28 PolarHBondContact N-O 3.26Å; T6-S28 PolarHBondContact O-N 2.82Å; T6-S28 VanDerWaalsContact O-O 3.11Å; T6-Q30 HydrophobicContact CG2-CB 4.05Å; T6-F46 HydrophobicContact CG2-CE1 3.64Å; T6-F46 HydrophobicContact CG2-CZ 3.67Å |
| 7 | R | 88.2 | Confident | 88.9 | Confident | 215 Ų | 215 | 96.2 Ų | 96.2 | 81% | 0.811 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.4 | 51.9 | 175.7 | -66.3 | 172.7 | 164 | -106.9 | -1.7 | 113.4 | ||
| 8 | S | 88.8 | Confident | 88.5 | Confident | 94 Ų | 94 | 101.2 Ų | 101.2 | 66% | 0.657 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 132 | 176.7 | 55.1 | 0 | 0 | 0 | 0 | 111.7 | T6 E26 | T6-S8 PolarHBondContact O-N 2.94Å; S8-E26 CarbonylContact C-O 3.44Å; S8-E26 WeakPolarHBondContact CA-O 2.91Å |
| 9 | S | 91.7 | Very high | 88.3 | Confident | 54 Ų | 54 | 100 Ų | 100 | 38% | 0.378 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 132 | 175.4 | -177.1 | 0 | 0 | 0 | 0 | 109.9 | K11 L25 E26 | S9-K11 PolarHBondContact O-N 3.03Å; S9-L25 WeakPolarHBondContact O-CA 3.07Å; S9-E26 PolarHBondContact N-O 3.48Å; S9-E26 PolarHBondContact O-N 3.23Å |
| 10 | L | 92 | Very high | 88 | Confident | 86 Ų | 86 | 97 Ų | 97 | 45% | 0.45 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 117.8 | 172.4 | -172.3 | 144.3 | 0 | 0 | 0 | 109 | V13 M23 L25 | L10-V13 HydrophobicContact CD1-CG2 4Å; L10-V13 HydrophobicContact CD2-CG2 3.58Å; L10-V13 HydrophobicContact CG-CG2 4.33Å; L10-M23 HydrophobicContact CD1-CB 4.02Å; L10-M23 HydrophobicContact CD1-CG 3.97Å; L10-M23 HydrophobicContact CD1-SD 3.76Å; L10-L25 HydrophobicContact CB-CD2 4.17Å |
| 11 | K | 92.6 | Very high | 88.1 | Confident | 104 Ų | 104 | 94.2 Ų | 94.2 | 45% | 0.452 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -39.5 | -178.8 | -64.3 | -65.7 | 175.5 | 159.8 | 0 | 112 | S9 N24 E26 | S9-K11 PolarHBondContact O-N 3.03Å; K11-N24 PolarHBondContact N-O 3.05Å; K11-E26 HydrophobicContact CD-CB 4.23Å; K11-E26 WeakPolarHBondContact CE-OE1 2.95Å; K11-E26 WeakPolarHBondContact CE-OE2 3.39Å; K11-E26 HydrophobicContact CG-CB 3.81Å; K11-E26 IonicContact NZ-OE1 2.84Å; K11-E26 PolarHBondContact NZ-OE1 3.14Å; K11-E26 IonicContact NZ-OE2 2.79Å; K11-E26 PolarHBondContact NZ-OE2 2.85Å |
| 12 | R | 91.4 | Very high | 88.5 | Confident | 161 Ų | 161 | 88.8 Ų | 88.8 | 61% | 0.608 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 148.7 | -178.4 | -156 | 177.7 | 175.5 | -176.1 | -1 | 111.4 | N14 M23 N24 | R12-N14 VanDerWaalsContact CD-OD1 3.28Å; R12-N14 WeakPolarHBondContact CD-OD1 3.45Å; R12-N14 WeakPolarHBondContact CG-OD1 3.39Å; R12-M23 CarbonylContact O-C 3.57Å; R12-M23 WeakPolarHBondContact O-CA 2.97Å; R12-N24 HydrophobicContact CB-CB 3.96Å; R12-N24 PolarHBondContact N-O 3.27Å; R12-N24 PolarHBondContact O-N 2.92Å |
| 13 | V | 91.7 | Very high | 88.6 | Confident | 75 Ų | 75 | 88.8 Ų | 88.8 | 46% | 0.455 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.4 | 165.1 | -171.7 | 0 | 0 | 0 | 0 | 107.9 | L10 L21 M23 | L10-V13 HydrophobicContact CD1-CG2 4Å; L10-V13 HydrophobicContact CD2-CG2 3.58Å; L10-V13 HydrophobicContact CG-CG2 4.33Å; V13-L21 HydrophobicContact CG1-CD2 4.5Å; V13-M23 HydrophobicContact CG1-CG 4.4Å; V13-M23 HydrophobicContact CG2-CG 4.36Å |
| 14 | N | 89.6 | Confident | 88.7 | Confident | 52 Ų | 52 | 85.3 Ų | 85.3 | 28% | 0.278 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.1 | 177.3 | -72.8 | 68.6 | 0 | 0 | 0 | 108.4 | R12 L21 V22 | R12-N14 VanDerWaalsContact CD-OD1 3.28Å; R12-N14 WeakPolarHBondContact CD-OD1 3.45Å; R12-N14 WeakPolarHBondContact CG-OD1 3.39Å; N14-L21 CarbonylContact O-C 3.59Å; N14-L21 WeakPolarHBondContact O-CA 3.2Å; N14-V22 PolarHBondContact N-O 2.86Å; N14-V22 PolarHBondContact O-N 2.77Å |
| 15 | V | 89.3 | Confident | 88.8 | Confident | 108 Ų | 108 | 82.3 Ų | 82.3 | 66% | 0.655 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 114 | 171.4 | -172.4 | 0 | 0 | 0 | 0 | 106.7 | D17 L21 | V15-D17 VanDerWaalsContact CG1-O 3.28Å; V15-D17 WeakPolarHBondContact CG1-O 3.45Å; V15-L21 HydrophobicContact CB-CD2 4.2Å; V15-L21 HydrophobicContact CG1-CD2 4.18Å; V15-L21 HydrophobicContact CG2-CD2 3.72Å |
| 16 | L | 84.3 | Confident | 89 | Confident | 124 Ų | 124 | 81.9 Ų | 81.9 | 65% | 0.649 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -37.6 | 173.6 | -89.6 | 121.9 | 0 | 0 | 0 | 111.4 | T20 V22 | L16-T20 HydrophobicContact CB-CG2 4.49Å; L16-T20 PolarHBondContact N-O 3.26Å; L16-V22 HydrophobicContact CD1-CB 3.55Å; L16-V22 HydrophobicContact CD1-CG2 3.09Å |
| 17 | D | 83.8 | Confident | 89.1 | Confident | 104 Ų | 104 | 81.5 Ų | 81.5 | 56% | 0.556 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 170.5 | 179.8 | -166 | -163.1 | 0 | 0 | 0 | 109.9 | V15 D19 T20 | V15-D17 VanDerWaalsContact CG1-O 3.28Å; V15-D17 WeakPolarHBondContact CG1-O 3.45Å; D17-D19 PolarHBondContact O-N 3.34Å; D17-T20 PolarHBondContact N-O 3.27Å; D17-T20 PolarHBondContact O-N 2.01Å |
| 18 | E | 80.8 | Confident | 89.3 | Confident | 185 Ų | 185 | 71.8 Ų | 71.8 | 86% | 0.864 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -35.5 | -178.4 | -82.1 | -155.1 | 103 | 0 | 0 | 113.1 | ||
| 19 | D | 84.1 | Confident | 89.4 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 42% | 0.422 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | -1.7 | -178.5 | -71 | -61.5 | 0 | 0 | 0 | 114 | D17 S61 H62 | D17-D19 PolarHBondContact O-N 3.34Å; D19-S61 CarbonylContact O-C 3.56Å; D19-S61 VanDerWaalsContact O-CA 3.25Å; D19-S61 WeakPolarHBondContact O-CA 3.28Å; D19-H62 HydrophobicContact CB-CB 4.24Å; D19-H62 PolarHBondContact O-N 3.48Å |
| 20 | T | 83.8 | Confident | 89.5 | Confident | 39 Ų | 39 | 67.9 Ų | 67.9 | 24% | 0.239 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 122.6 | -169.8 | -52.8 | 0 | 0 | 0 | 0 | 112.6 | L16 D17 | L16-T20 HydrophobicContact CB-CG2 4.49Å; L16-T20 PolarHBondContact N-O 3.26Å; D17-T20 PolarHBondContact N-O 3.27Å; D17-T20 PolarHBondContact O-N 2.01Å |
| 21 | L | 89 | Confident | 89.5 | Confident | 40 Ų | 40 | 67 Ų | 67 | 21% | 0.209 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 137.2 | 177.7 | -56 | 176.3 | 0 | 0 | 0 | 109.5 | V13 N14 V15 A59 R60 | V13-L21 HydrophobicContact CG1-CD2 4.5Å; N14-L21 CarbonylContact O-C 3.59Å; N14-L21 WeakPolarHBondContact O-CA 3.2Å; V15-L21 HydrophobicContact CB-CD2 4.2Å; V15-L21 HydrophobicContact CG1-CD2 4.18Å; V15-L21 HydrophobicContact CG2-CD2 3.72Å; L21-A59 CarbonylContact O-C 3.51Å; L21-A59 WeakPolarHBondContact O-CA 3.44Å; L21-R60 PolarHBondContact N-O 2.73Å; L21-R60 PolarHBondContact O-N 2.92Å |
| 22 | V | 90.3 | Very high | 89.5 | Confident | 13 Ų | 13 | 62 Ų | 62 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 127.3 | 165.5 | 167.5 | 0 | 0 | 0 | 0 | 109.1 | N14 L16 D57 M58 A59 E71 | N14-V22 PolarHBondContact N-O 2.86Å; N14-V22 PolarHBondContact O-N 2.77Å; L16-V22 HydrophobicContact CD1-CB 3.55Å; L16-V22 HydrophobicContact CD1-CG2 3.09Å; V22-D57 HydrophobicContact CG1-CB 4.02Å; V22-M58 CarbonylContact C-O 3.47Å; V22-M58 WeakPolarHBondContact CA-O 3.5Å; V22-A59 HydrophobicContact CG2-CB 4.18Å; V22-E71 WeakPolarHBondContact CG2-OE2 3.01Å |
| 23 | M | 90.7 | Very high | 89.5 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 15% | 0.148 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 119.5 | 179.2 | -61.9 | 178.6 | -67.4 | 0 | 0 | 108.9 | L10 R12 V13 M58 Y68 | L10-M23 HydrophobicContact CD1-CB 4.02Å; L10-M23 HydrophobicContact CD1-CG 3.97Å; L10-M23 HydrophobicContact CD1-SD 3.76Å; R12-M23 CarbonylContact O-C 3.57Å; R12-M23 WeakPolarHBondContact O-CA 2.97Å; V13-M23 HydrophobicContact CG1-CG 4.4Å; V13-M23 HydrophobicContact CG2-CG 4.36Å; M23-M58 HydrophobicContact CE-CB 4.2Å; M23-M58 PolarHBondContact N-O 2.86Å; M23-M58 PolarHBondContact O-N 2.84Å; M23-Y68 HydrophobicContact CE-CD1 3.56Å; M23-Y68 HydrophobicContact CE-CE1 3.68Å |
| 24 | N | 91.8 | Very high | 89.4 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 29% | 0.289 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 122.4 | 168.5 | -93.1 | -125.6 | 0 | 0 | 0 | 109 | K11 R12 D57 | K11-N24 PolarHBondContact N-O 3.05Å; R12-N24 HydrophobicContact CB-CB 3.96Å; R12-N24 PolarHBondContact N-O 3.27Å; R12-N24 PolarHBondContact O-N 2.92Å; N24-D57 VanDerWaalsContact CG-OD1 3.25Å; N24-D57 PolarHBondContact ND2-OD1 2.79Å |
| 25 | L | 91.8 | Very high | 89.4 | Confident | 25 Ų | 25 | 58.1 Ų | 58.1 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136 | -178.2 | -67.3 | 156 | 0 | 0 | 0 | 109 | S9 L10 F27 F55 G56 M58 | S9-L25 WeakPolarHBondContact O-CA 3.07Å; L10-L25 HydrophobicContact CB-CD2 4.17Å; L25-F27 HydrophobicContact CB-CD1 4.15Å; L25-F55 CarbonylContact O-C 3.2Å; L25-F55 WeakPolarHBondContact O-CA 3.49Å; L25-G56 PolarHBondContact N-O 2.8Å; L25-G56 PolarHBondContact O-N 2.85Å; L25-M58 HydrophobicContact CD1-CB 3.73Å; L25-M58 HydrophobicContact CD1-CE 4.15Å; L25-M58 HydrophobicContact CD1-CG 3.43Å; L25-M58 VanDerWaalsContact CD1-CG 3.43Å; L25-M58 HydrophobicContact CD1-SD 3.25Å; L25-M58 WeakPolarHBondContact CD1-SD 3.26Å |
| 26 | E | 93.7 | Very high | 89.1 | Confident | 49 Ų | 49 | 62.2 Ų | 62.2 | 23% | 0.229 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 127 | 161.8 | -178.8 | -174 | 91.6 | 0 | 0 | 106.9 | S8 S9 K11 M54 F55 | S8-E26 CarbonylContact C-O 3.44Å; S8-E26 WeakPolarHBondContact CA-O 2.91Å; S9-E26 PolarHBondContact N-O 3.48Å; S9-E26 PolarHBondContact O-N 3.23Å; K11-E26 HydrophobicContact CD-CB 4.23Å; K11-E26 WeakPolarHBondContact CE-OE1 2.95Å; K11-E26 WeakPolarHBondContact CE-OE2 3.39Å; K11-E26 HydrophobicContact CG-CB 3.81Å; K11-E26 IonicContact NZ-OE1 2.84Å; K11-E26 PolarHBondContact NZ-OE1 3.14Å; K11-E26 IonicContact NZ-OE2 2.79Å; K11-E26 PolarHBondContact NZ-OE2 2.85Å; E26-M54 WeakPolarHBondContact CA-O 3.29Å; E26-F55 HydrophobicContact CB-CD1 4.39Å; E26-F55 HydrophobicContact CB-CE1 4.02Å; E26-F55 HydrophobicContact CB-CE2 4.46Å; E26-F55 HydrophobicContact CB-CZ 4.1Å; E26-F55 HydrophobicContact CG-CE1 4.19Å; E26-F55 HydrophobicContact CG-CE2 3.84Å; E26-F55 HydrophobicContact CG-CZ 3.74Å; E26-F55 WeakPolarHBondContact OE2-CZ 3.45Å |
| 27 | F | 92.8 | Very high | 89.1 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 9% | 0.092 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 156.1 | 179.3 | 60.8 | -82.8 | 0 | 0 | 0 | 109.7 | A5 L25 V29 M54 A73 | A5-F27 HydrophobicContact CB-CD2 4.01Å; L25-F27 HydrophobicContact CB-CD1 4.15Å; F27-V29 HydrophobicContact CD2-CG1 3.82Å; F27-V29 HydrophobicContact CE2-CG1 3.57Å; F27-M54 HydrophobicContact CD2-CB 4.2Å; F27-M54 HydrophobicContact CE1-CB 4.18Å; F27-M54 HydrophobicContact CE2-CB 3.82Å; F27-M54 HydrophobicContact CE2-CG 4.18Å; F27-M54 HydrophobicContact CZ-CB 3.81Å; F27-M54 PolarHBondContact N-O 2.78Å; F27-M54 WeakPolarHBondContact O-CA 3.45Å; F27-M54 PolarHBondContact O-N 3.43Å; F27-A73 HydrophobicContact CZ-CB 4.18Å |
| 28 | S | 91.8 | Very high | 88.9 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 7% | 0.07 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 145.6 | 171.9 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | A5 T6 V52 | A5-S28 CarbonylContact C-O 3.43Å; A5-S28 VanDerWaalsContact CA-O 3.28Å; A5-S28 WeakPolarHBondContact CA-O 3.24Å; T6-S28 PolarHBondContact N-O 3.26Å; T6-S28 PolarHBondContact O-N 2.82Å; T6-S28 VanDerWaalsContact O-O 3.11Å; S28-V52 CarbonylContact C-O 3.56Å; S28-V52 VanDerWaalsContact CA-O 3.26Å; S28-V52 WeakPolarHBondContact CA-O 3.23Å |
| 29 | V | 91.5 | Very high | 88.9 | Confident | 34 Ų | 34 | 55.9 Ų | 55.9 | 21% | 0.206 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 139.4 | 168.8 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | F27 S51 V52 M54 | F27-V29 HydrophobicContact CD2-CG1 3.82Å; F27-V29 HydrophobicContact CE2-CG1 3.57Å; V29-S51 WeakPolarHBondContact O-CA 3.32Å; V29-V52 HydrophobicContact CG2-CB 4.18Å; V29-V52 PolarHBondContact N-O 3.21Å; V29-V52 PolarHBondContact O-N 3.28Å; V29-M54 HydrophobicContact CG1-CG 4.14Å; V29-M54 HydrophobicContact CG2-CG 3.73Å; V29-M54 HydrophobicContact CG2-SD 4.2Å |
| 30 | Q | 92.4 | Very high | 88.9 | Confident | 33 Ų | 33 | 56 Ų | 56 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.4 | 176.4 | -172.8 | 168 | 65.6 | 0 | 0 | 110.6 | F3 R4 T6 F46 G49 | F3-Q30 WeakPolarHBondContact CA-O 3.4Å; R4-Q30 PolarHBondContact N-O 2.99Å; R4-Q30 PolarHBondContact O-N 2.89Å; T6-Q30 HydrophobicContact CG2-CB 4.05Å; Q30-F46 HydrophobicContact CB-CD1 3.8Å; Q30-F46 HydrophobicContact CB-CE1 4.04Å; Q30-F46 HydrophobicContact CG-CB 4.49Å; Q30-F46 HydrophobicContact CG-CD1 3.89Å; Q30-F46 VanDerWaalsContact OE1-CD1 3.23Å; Q30-G49 PolarHBondContact NE2-O 3.07Å |
| 31 | E | 92.3 | Very high | 88.8 | Confident | 67 Ų | 67 | 56.1 Ų | 56.1 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 142.3 | 174.5 | -165.8 | 171 | -159.5 | 0 | 0 | 110.6 | Y1 F3 Q47 | Y1-E31 WeakPolarHBondContact CB-OE1 3.43Å; Y1-E31 WeakPolarHBondContact CD2-OE1 3.2Å; Y1-E31 HydrophobicContact CG-CG 4.3Å; F3-E31 HydrophobicContact CD1-CB 4.13Å; F3-E31 HydrophobicContact CE1-CB 3.75Å; F3-E31 HydrophobicContact CE1-CG 4.13Å; F3-E31 HydrophobicContact CZ-CB 4.34Å; F3-E31 HydrophobicContact CZ-CG 4.22Å; E31-Q47 VanDerWaalsContact CG-OE1 3.24Å; E31-Q47 PolarHBondContact O-N 2.95Å; E31-Q47 PolarHBondContact OE2-OE1 3.22Å |
| 32 | T | 92.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | B | Isolated β-bridge | trans | -109.3 | 163.5 | 179.8 | 70.3 | 0 | 0 | 0 | 0 | 110.8 | L2 R4 C34 C44 A45 F46 | L2-T32 WeakPolarHBondContact CB-OG1 3.45Å; L2-T32 WeakPolarHBondContact O-CB 2.92Å; L2-T32 PolarHBondContact O-N 3.24Å; L2-T32 PolarHBondContact O-OG1 3.08Å; R4-T32 HydrophobicContact CB-CG2 3.79Å; T32-C34 PolarHBondContact O-N 3.43Å; T32-C44 HydrophobicContact CG2-CB 4.14Å; T32-A45 CarbonylContact C-O 3.48Å; T32-A45 WeakPolarHBondContact CA-O 3.47Å; T32-A45 WeakPolarHBondContact CB-O 3.43Å; T32-F46 HydrophobicContact CG2-CD1 4.28Å |
| 33 | T | 91.6 | Very high | 88.6 | Confident | 78 Ų | 78 | 62 Ų | 62 | 48% | 0.479 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -70.1 | -13.9 | 177.5 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | A45 Q47 | T33-A45 HydrophobicContact CG2-CB 4.41Å; T33-A45 PolarHBondContact N-O 3.17Å; T33-A45 PolarHBondContact OG1-O 2.95Å; T33-Q47 HydrophobicContact CG2-CG 3.75Å |
| 34 | C | 90.6 | Very high | 88.5 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 12% | 0.115 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -77.4 | 140.6 | -178.7 | -72.3 | 0 | 0 | 0 | 0 | 112.9 | Y1 L2 T32 C44 | Y1-C34 CarbonylContact C-O 3.59Å; Y1-C34 WeakPolarHBondContact CA-O 3.25Å; L2-C34 HydrophobicContact CB-CB 4.45Å; L2-C34 HydrophobicContact CD1-CB 4.02Å; L2-C34 PolarHBondContact N-O 3.08Å; T32-C34 PolarHBondContact O-N 3.43Å; C34-C44 HydrophobicContact CB-CB 3.75Å; C34-C44 WeakPolarHBondContact CB-SG 2.99Å; C34-C44 WeakPolarHBondContact SG-CB 3.4Å; C34-C44 CovalentContact SG-SG 2.01Å; C34-C44 PolarHBondContact SG-SG 3.26Å |
| 35 | L | 88.4 | Confident | 88.5 | Confident | 110 Ų | 110 | 61.2 Ų | 61.2 | 58% | 0.576 | 35% | 0.35 | S | S | * | . | trans | -72.3 | 160.6 | 166.8 | -62 | 176.5 | 0 | 0 | 0 | 110.2 | Y1 L2 D37 S38 | Y1-L35 HydrophobicContact CD1-CD2 4.11Å; Y1-L35 HydrophobicContact CE1-CD2 3.84Å; L2-L35 WeakPolarHBondContact CG-O 3.28Å; L35-D37 PolarHBondContact O-N 3.14Å; L35-D37 VanDerWaalsContact O-N 3.08Å; L35-S38 WeakPolarHBondContact O-CB 3.36Å; L35-S38 PolarHBondContact O-N 2.97Å; L35-S38 VanDerWaalsContact O-N 3.08Å | ||
| 36 | R | 83.7 | Confident | 88.5 | Confident | 194 Ų | 194 | 63.9 Ų | 63.9 | 73% | 0.732 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -30.8 | -174.8 | -102.7 | -176.3 | 169.6 | -151 | -2.2 | 113.6 | L2 | L2-R36 HydrophobicContact CD2-CG 4.36Š|
| 37 | D | 83.1 | Confident | 88.4 | Confident | 159 Ų | 159 | 64.1 Ų | 64.1 | 85% | 0.85 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 9.2 | -174.3 | -47.5 | -58.8 | 0 | 0 | 0 | 113.3 | L35 G39 | L35-D37 PolarHBondContact O-N 3.14Å; L35-D37 VanDerWaalsContact O-N 3.08Å; D37-G39 PolarHBondContact O-N 3.09Å |
| 38 | S | 81.3 | Confident | 88.1 | Confident | 70 Ų | 70 | 75.6 Ų | 75.6 | 49% | 0.49 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -77.1 | 0.4 | -174.1 | -170.9 | 0 | 0 | 0 | 0 | 114.6 | L35 | L35-S38 WeakPolarHBondContact O-CB 3.36Å; L35-S38 PolarHBondContact O-N 2.97Å; L35-S38 VanDerWaalsContact O-N 3.08Å |
| 39 | G | 79.6 | Confident | 87.6 | Confident | 51 Ų | 51 | 78 Ų | 78 | 53% | 0.526 | 43% | 0.43 | S | S | . | . | S | Bend | trans | 92.1 | -133.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D37 P41 | D37-G39 PolarHBondContact O-N 3.09Å; G39-P41 WeakPolarHBondContact O-CD 3.45Å |
| 40 | D | 83.6 | Confident | 87.1 | Confident | 82 Ų | 82 | 85 Ų | 85 | 44% | 0.439 | 46% | 0.455 | S | S | . | . | trans | -72.5 | 118.5 | -171.5 | 175.1 | 68.4 | 0 | 0 | 0 | 112.6 | S42 T43 | D40-S42 PolarHBondContact O-N 2.86Å; D40-S42 VanDerWaalsContact O-N 3.14Å; D40-S42 PolarHBondContact OD1-OG 2.76Å; D40-S42 VanDerWaalsContact OD1-OG 3.05Å; D40-S42 VanDerWaalsContact OD2-CA 3.24Å; D40-S42 WeakPolarHBondContact OD2-CA 3.25Å; D40-S42 WeakPolarHBondContact OD2-CB 3.27Å; D40-S42 PolarHBondContact OD2-N 3.31Å; D40-S42 PolarHBondContact OD2-OG 3.01Å; D40-T43 PolarHBondContact O-N 2.99Å; D40-T43 PolarHBondContact O-OG1 3.48Å; D40-T43 PolarHBondContact OD2-N 3.36Å | ||
| 41 | P | 83.6 | Confident | 87 | Confident | 41 Ų | 41 | 85.1 Ų | 85.1 | 27% | 0.266 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -66.1 | -15.6 | -179.3 | 26.2 | -33.2 | 0 | 0 | 0 | 113.3 | L2 R4 G39 T43 C44 | L2-P41 HydrophobicContact CB-CB 4.3Å; L2-P41 HydrophobicContact CD1-CB 4.13Å; R4-P41 WeakPolarHBondContact CD-O 3.32Å; G39-P41 WeakPolarHBondContact O-CD 3.45Å; P41-T43 VanDerWaalsContact C-N 3.3Å; P41-T43 PolarHBondContact O-N 2.74Å; P41-C44 WeakPolarHBondContact O-CB 3.39Å; P41-C44 PolarHBondContact O-N 2.81Å |
| 42 | S | 85.2 | Confident | 86.9 | Confident | 62 Ų | 62 | 85 Ų | 85 | 43% | 0.434 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -72.9 | -24.6 | -178.4 | -32.9 | 0 | 0 | 0 | 0 | 112.7 | R4 D40 C44 | R4-S42 PolarHBondContact NH1-O 3.33Å; D40-S42 PolarHBondContact O-N 2.86Å; D40-S42 VanDerWaalsContact O-N 3.14Å; D40-S42 PolarHBondContact OD1-OG 2.76Å; D40-S42 VanDerWaalsContact OD1-OG 3.05Å; D40-S42 VanDerWaalsContact OD2-CA 3.24Å; D40-S42 WeakPolarHBondContact OD2-CA 3.25Å; D40-S42 WeakPolarHBondContact OD2-CB 3.27Å; D40-S42 PolarHBondContact OD2-N 3.31Å; D40-S42 PolarHBondContact OD2-OG 3.01Å; S42-C44 VanDerWaalsContact C-N 3.33Å |
| 43 | T | 88.7 | Confident | 86.9 | Confident | 116 Ų | 116 | 88.7 Ų | 88.7 | 71% | 0.712 | 48% | 0.481 | S | S | * | . | G | 310 helix | trans | -81.9 | -11.4 | 174 | 65.6 | 0 | 0 | 0 | 0 | 113.7 | D40 P41 | D40-T43 PolarHBondContact O-N 2.99Å; D40-T43 PolarHBondContact O-OG1 3.48Å; D40-T43 PolarHBondContact OD2-N 3.36Å; P41-T43 VanDerWaalsContact C-N 3.3Å; P41-T43 PolarHBondContact O-N 2.74Å |
| 44 | C | 89.4 | Confident | 86.9 | Confident | 6 Ų | 6 | 86.5 Ų | 86.5 | 4% | 0.041 | 47% | 0.466 | C | S | . | . | S | Bend | trans | -83.1 | 136.4 | -174 | -60.4 | 0 | 0 | 0 | 0 | 111.7 | T32 C34 P41 S42 | T32-C44 HydrophobicContact CG2-CB 4.14Å; C34-C44 HydrophobicContact CB-CB 3.75Å; C34-C44 WeakPolarHBondContact CB-SG 2.99Å; C34-C44 WeakPolarHBondContact SG-CB 3.4Å; C34-C44 CovalentContact SG-SG 2.01Å; C34-C44 PolarHBondContact SG-SG 3.26Å; P41-C44 WeakPolarHBondContact O-CB 3.39Å; P41-C44 PolarHBondContact O-N 2.81Å; S42-C44 VanDerWaalsContact C-N 3.33Å |
| 45 | A | 91.3 | Very high | 86.9 | Confident | 61 Ų | 61 | 88.5 Ų | 88.5 | 50% | 0.504 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 147.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | T32 T33 | T32-A45 CarbonylContact C-O 3.48Å; T32-A45 WeakPolarHBondContact CA-O 3.47Å; T32-A45 WeakPolarHBondContact CB-O 3.43Å; T33-A45 HydrophobicContact CG2-CB 4.41Å; T33-A45 PolarHBondContact N-O 3.17Å; T33-A45 PolarHBondContact OG1-O 2.95Å |
| 46 | F | 92.1 | Very high | 87 | Confident | 80 Ų | 80 | 83.4 Ų | 83.4 | 35% | 0.351 | 45% | 0.446 | S | S | . | . | B | Isolated β-bridge | trans | -71.3 | 140.7 | 173.2 | -68 | -69.9 | 0 | 0 | 0 | 110.9 | R4 T6 Q30 T32 | R4-F46 HydrophobicContact CB-CE1 3.91Å; R4-F46 HydrophobicContact CB-CZ 4.42Å; R4-F46 HydrophobicContact CG-CE1 4.27Å; R4-F46 HydrophobicContact CG-CZ 4.28Å; T6-F46 HydrophobicContact CG2-CE1 3.64Å; T6-F46 HydrophobicContact CG2-CZ 3.67Å; Q30-F46 HydrophobicContact CB-CD1 3.8Å; Q30-F46 HydrophobicContact CB-CE1 4.04Å; Q30-F46 HydrophobicContact CG-CB 4.49Å; Q30-F46 HydrophobicContact CG-CD1 3.89Å; Q30-F46 VanDerWaalsContact OE1-CD1 3.23Å; T32-F46 HydrophobicContact CG2-CD1 4.28Å |
| 47 | Q | 90.3 | Very high | 87.4 | Confident | 55 Ų | 55 | 76.3 Ų | 76.3 | 26% | 0.257 | 42% | 0.423 | S | S | . | . | P | Polyproline II helix | trans | -71 | 149.1 | 166.9 | -82.7 | 179 | -13.7 | 0 | 0 | 110 | E31 T33 G49 | E31-Q47 VanDerWaalsContact CG-OE1 3.24Å; E31-Q47 PolarHBondContact O-N 2.95Å; E31-Q47 PolarHBondContact OE2-OE1 3.22Å; T33-Q47 HydrophobicContact CG2-CG 3.75Å; Q47-G49 PolarHBondContact O-N 2.95Å |
| 48 | R | 86.4 | Confident | 87.6 | Confident | 262 Ų | 262 | 71.6 Ų | 71.6 | 99% | 0.989 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -66.2 | 115.4 | 170 | -78.8 | -175.3 | 175.7 | -175.5 | -0.9 | 108.3 | ||
| 49 | G | 81.3 | Confident | 87.9 | Confident | 59 Ų | 59 | 69.1 Ų | 69.1 | 61% | 0.608 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 175 | -172.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q30 Q47 | Q30-G49 PolarHBondContact NE2-O 3.07Å; Q47-G49 PolarHBondContact O-N 2.95Å |
| 50 | Y | 82.9 | Confident | 88.2 | Confident | 182 Ų | 182 | 69.5 Ų | 69.5 | 71% | 0.714 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 141.3 | -180 | -177 | -101.4 | 0 | 0 | 0 | 111.2 | V52 | Y50-V52 HydrophobicContact CD1-CG2 4.07Å; Y50-V52 HydrophobicContact CE1-CG2 4.16Å |
| 51 | S | 89.5 | Confident | 88.1 | Confident | 35 Ų | 35 | 67 Ų | 67 | 25% | 0.245 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -97.8 | 128.8 | 171 | 60.8 | 0 | 0 | 0 | 0 | 109.7 | V29 | V29-S51 WeakPolarHBondContact O-CA 3.32Š|
| 52 | V | 90.6 | Very high | 87.7 | Confident | 64 Ų | 64 | 69.7 Ų | 69.7 | 39% | 0.388 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 125.8 | 178.3 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | S28 V29 Y50 M54 | S28-V52 CarbonylContact C-O 3.56Å; S28-V52 VanDerWaalsContact CA-O 3.26Å; S28-V52 WeakPolarHBondContact CA-O 3.23Å; V29-V52 HydrophobicContact CG2-CB 4.18Å; V29-V52 PolarHBondContact N-O 3.21Å; V29-V52 PolarHBondContact O-N 3.28Å; Y50-V52 HydrophobicContact CD1-CG2 4.07Å; Y50-V52 HydrophobicContact CE1-CG2 4.16Å; V52-M54 HydrophobicContact CB-SD 4.32Å; V52-M54 HydrophobicContact CG1-SD 3.69Å |
| 53 | M | 91.9 | Very high | 87.2 | Confident | 78 Ų | 78 | 77.2 Ų | 77.2 | 38% | 0.384 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 132.8 | 171.8 | -69.9 | -172.3 | -67.2 | 0 | 0 | 109.8 | F76 | M53-F76 HydrophobicContact CB-CB 3.93Å; M53-F76 HydrophobicContact CE-CD1 3.93Å; M53-F76 HydrophobicContact CE-CE1 4.43Å; M53-F76 WeakPolarHBondContact O-CB 3.41Å; M53-F76 PolarHBondContact O-N 2.91Å |
| 54 | M | 90.7 | Very high | 86.2 | Confident | 32 Ų | 32 | 80.1 Ų | 80.1 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.9 | -178 | -51.6 | -62.3 | -81.4 | 0 | 0 | 109.1 | E26 F27 V29 V52 S74 P75 | E26-M54 WeakPolarHBondContact CA-O 3.29Å; F27-M54 HydrophobicContact CD2-CB 4.2Å; F27-M54 HydrophobicContact CE1-CB 4.18Å; F27-M54 HydrophobicContact CE2-CB 3.82Å; F27-M54 HydrophobicContact CE2-CG 4.18Å; F27-M54 HydrophobicContact CZ-CB 3.81Å; F27-M54 PolarHBondContact N-O 2.78Å; F27-M54 WeakPolarHBondContact O-CA 3.45Å; F27-M54 PolarHBondContact O-N 3.43Å; V29-M54 HydrophobicContact CG1-CG 4.14Å; V29-M54 HydrophobicContact CG2-CG 3.73Å; V29-M54 HydrophobicContact CG2-SD 4.2Å; V52-M54 HydrophobicContact CB-SD 4.32Å; V52-M54 HydrophobicContact CG1-SD 3.69Å; M54-S74 CarbonylContact C-O 3.55Å; M54-S74 VanDerWaalsContact CA-O 3.29Å; M54-S74 WeakPolarHBondContact CA-O 3.36Å; M54-P75 HydrophobicContact CE-CG 4.18Å; M54-P75 HydrophobicContact SD-CB 4.18Å; M54-P75 HydrophobicContact SD-CG 4.35Å |
| 55 | F | 92.1 | Very high | 85.1 | Confident | 59 Ų | 59 | 90.6 Ų | 90.6 | 26% | 0.259 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 133.9 | 165.7 | -79.4 | -103 | 0 | 0 | 0 | 107.9 | L25 E26 A73 S74 F76 | L25-F55 CarbonylContact O-C 3.2Å; L25-F55 WeakPolarHBondContact O-CA 3.49Å; E26-F55 HydrophobicContact CB-CD1 4.39Å; E26-F55 HydrophobicContact CB-CE1 4.02Å; E26-F55 HydrophobicContact CB-CE2 4.46Å; E26-F55 HydrophobicContact CB-CZ 4.1Å; E26-F55 HydrophobicContact CG-CE1 4.19Å; E26-F55 HydrophobicContact CG-CE2 3.84Å; E26-F55 HydrophobicContact CG-CZ 3.74Å; E26-F55 WeakPolarHBondContact OE2-CZ 3.45Å; F55-A73 CarbonylContact O-C 3.56Å; F55-A73 VanDerWaalsContact O-CA 3.23Å; F55-A73 WeakPolarHBondContact O-CA 3.36Å; F55-S74 PolarHBondContact N-O 2.74Å; F55-S74 PolarHBondContact O-N 2.84Å; F55-F76 HydrophobicContact CD2-CB 3.88Å; F55-F76 AromaticContact CD2-CD2 3.47Å; F55-F76 HydrophobicContact CD2-CD2 3.47Å; F55-F76 VanDerWaalsContact CD2-CD2 3.47Å; F55-F76 HydrophobicContact CD2-CE2 4.32Å; F55-F76 HydrophobicContact CD2-CG 4.05Å; F55-F76 HydrophobicContact CE2-CB 3.83Å; F55-F76 AromaticContact CE2-CD2 2.92Å; F55-F76 HydrophobicContact CE2-CD2 2.92Å; F55-F76 AromaticContact CE2-CE2 3.46Å; F55-F76 HydrophobicContact CE2-CE2 3.46Å; F55-F76 VanDerWaalsContact CE2-CE2 3.46Å; F55-F76 AromaticContact CE2-CG 3.56Å; F55-F76 HydrophobicContact CE2-CG 3.56Å; F55-F76 HydrophobicContact CE2-CZ 4.49Å; F55-F76 AromaticContact CZ-CD2 3.69Å; F55-F76 HydrophobicContact CZ-CD2 3.69Å; F55-F76 AromaticContact CZ-CE2 3.73Å; F55-F76 HydrophobicContact CZ-CE2 3.73Å |
| 56 | G | 90.7 | Very high | 83.9 | Confident | 3 Ų | 3 | 92.9 Ų | 92.9 | 3% | 0.031 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L25 S72 | L25-G56 PolarHBondContact N-O 2.8Å; L25-G56 PolarHBondContact O-N 2.85Å; G56-S72 CarbonylContact C-O 3.56Å; G56-S72 WeakPolarHBondContact CA-O 3.2Å |
| 57 | D | 90.9 | Very high | 83.1 | Confident | 46 Ų | 46 | 93.1 Ų | 93.1 | 25% | 0.246 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122.3 | 176.9 | -62.1 | -56.7 | 0 | 0 | 0 | 108.8 | V22 N24 L70 E71 S72 | V22-D57 HydrophobicContact CG1-CB 4.02Å; N24-D57 VanDerWaalsContact CG-OD1 3.25Å; N24-D57 PolarHBondContact ND2-OD1 2.79Å; D57-L70 CarbonylContact O-C 3.58Å; D57-E71 PolarHBondContact O-N 2.82Å; D57-S72 PolarHBondContact N-O 3.33Å; D57-S72 PolarHBondContact O-N 2.85Å; D57-S72 PolarHBondContact OD2-OG 2.83Å |
| 58 | M | 88.6 | Confident | 82.7 | Confident | 60 Ų | 60 | 95.7 Ų | 95.7 | 30% | 0.296 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 121.1 | 171.3 | -83.2 | -171.8 | 175 | 0 | 0 | 110.8 | V22 M23 L25 L69 L70 | V22-M58 CarbonylContact C-O 3.47Å; V22-M58 WeakPolarHBondContact CA-O 3.5Å; M23-M58 HydrophobicContact CE-CB 4.2Å; M23-M58 PolarHBondContact N-O 2.86Å; M23-M58 PolarHBondContact O-N 2.84Å; L25-M58 HydrophobicContact CD1-CB 3.73Å; L25-M58 HydrophobicContact CD1-CE 4.15Å; L25-M58 HydrophobicContact CD1-CG 3.43Å; L25-M58 VanDerWaalsContact CD1-CG 3.43Å; L25-M58 HydrophobicContact CD1-SD 3.25Å; L25-M58 WeakPolarHBondContact CD1-SD 3.26Å; M58-L69 CarbonylContact C-O 3.51Å; M58-L69 VanDerWaalsContact CA-O 3.27Å; M58-L69 WeakPolarHBondContact CA-O 3.01Å; M58-L70 HydrophobicContact CE-CB 4.37Å; M58-L70 HydrophobicContact CE-CD1 4.23Å; M58-L70 HydrophobicContact CG-CB 4.41Å; M58-L70 HydrophobicContact CG-CD1 3.89Å |
| 59 | A | 87.3 | Confident | 82.4 | Confident | 18 Ų | 18 | 89 Ų | 89 | 15% | 0.149 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 140.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | L21 V22 L69 E71 | L21-A59 CarbonylContact O-C 3.51Å; L21-A59 WeakPolarHBondContact O-CA 3.44Å; V22-A59 HydrophobicContact CG2-CB 4.18Å; A59-L69 PolarHBondContact N-O 2.65Å; A59-L69 PolarHBondContact O-N 2.79Å; A59-L69 VanDerWaalsContact O-N 3.14Å; A59-E71 VanDerWaalsContact CB-CD 3.4Å; A59-E71 HydrophobicContact CB-CG 3.69Å; A59-E71 VanDerWaalsContact CB-OE2 3.32Å; A59-E71 WeakPolarHBondContact CB-OE2 3.36Å |
| 60 | R | 84.9 | Confident | 82.5 | Confident | 59 Ų | 59 | 90.4 Ų | 90.4 | 22% | 0.223 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 127.9 | 164.6 | -170.9 | -164.8 | -171 | 169.9 | 0.8 | 108.5 | L21 N66 Y68 | L21-R60 PolarHBondContact N-O 2.73Å; L21-R60 PolarHBondContact O-N 2.92Å; R60-N66 PolarHBondContact NH2-OD1 2.82Å; R60-Y68 HydrophobicContact CB-CD1 3.95Å; R60-Y68 HydrophobicContact CB-CE1 4.03Å; R60-Y68 VanDerWaalsContact CD-CE1 3.46Å; R60-Y68 HydrophobicContact CG-CD1 3.98Å; R60-Y68 HydrophobicContact CG-CE1 3.76Å; R60-Y68 PolarHBondContact NE-OH 2.95Å; R60-Y68 PolarHBondContact NH1-OH 3.34Å; R60-Y68 PolarHBondContact NH2-OH 2.86Å |
| 61 | S | 81.9 | Confident | 82.5 | Confident | 28 Ų | 28 | 87.7 Ų | 87.7 | 20% | 0.196 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.8 | 171.2 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | D19 R63 R64 | D19-S61 CarbonylContact O-C 3.56Å; D19-S61 VanDerWaalsContact O-CA 3.25Å; D19-S61 WeakPolarHBondContact O-CA 3.28Å; S61-R63 PolarHBondContact O-N 2.89Å; S61-R63 PolarHBondContact OG-N 2.78Å; S61-R64 CarbonylContact O-C 3.57Å; S61-R64 WeakPolarHBondContact O-CA 3.42Å; S61-R64 PolarHBondContact O-N 2.68Å |
| 62 | H | 74.1 | Confident | 82.1 | Confident | 99 Ų | 99 | 88.1 Ų | 88.1 | 46% | 0.458 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.1 | 175.4 | -78.7 | -91.8 | 0 | 0 | 0 | 112.6 | D19 R64 | D19-H62 HydrophobicContact CB-CB 4.24Å; D19-H62 PolarHBondContact O-N 3.48Å; H62-R64 VanDerWaalsContact C-N 3.26Å; H62-R64 PolarHBondContact O-N 2.78Å |
| 63 | R | 75.9 | Confident | 82 | Confident | 220 Ų | 220 | 87.3 Ų | 87.3 | 83% | 0.83 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -27.7 | 171.3 | -167 | 170.6 | -177.1 | 166.7 | 1.6 | 112.7 | S61 | S61-R63 PolarHBondContact O-N 2.89Å; S61-R63 PolarHBondContact OG-N 2.78Å |
| 64 | R | 67.8 | Low | 81.8 | Confident | 177 Ų | 177 | 86.8 Ų | 86.8 | 67% | 0.668 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -106.8 | 81.6 | 175.5 | -64.4 | -76.8 | -173.1 | 152.9 | 1.2 | 108.1 | S61 H62 N66 D67 | S61-R64 CarbonylContact O-C 3.57Å; S61-R64 WeakPolarHBondContact O-CA 3.42Å; S61-R64 PolarHBondContact O-N 2.68Å; H62-R64 VanDerWaalsContact C-N 3.26Å; H62-R64 PolarHBondContact O-N 2.78Å; R64-N66 PolarHBondContact O-N 3.03Å; R64-D67 HydrophobicContact CB-CB 4.11Å; R64-D67 PolarHBondContact O-N 3.29Å; R64-D67 VanDerWaalsContact O-N 3.09Å |
| 65 | R | 66.9 | Low | 81.6 | Confident | 226 Ų | 226 | 88.7 Ų | 88.7 | 85% | 0.853 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.7 | 110.6 | -174.4 | -82.4 | -174.6 | -80.1 | -149 | -5.4 | 112.4 | D67 | R65-D67 PolarHBondContact O-N 3Š|
| 66 | N | 64.6 | Low | 81.1 | Confident | 108 Ų | 108 | 90.1 Ų | 90.1 | 58% | 0.578 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 25 | 174.2 | -66.3 | -18.5 | 0 | 0 | 0 | 116.1 | R60 R64 Y68 | R60-N66 PolarHBondContact NH2-OD1 2.82Å; R64-N66 PolarHBondContact O-N 3.03Å; N66-Y68 WeakPolarHBondContact O-CD2 3.41Å |
| 67 | D | 76.8 | Confident | 80 | Confident | 86 Ų | 86 | 97.8 Ų | 97.8 | 46% | 0.46 | 47% | 0.469 | S | S | . | . | trans | -85 | 116.4 | 169.5 | -71 | -41.2 | 0 | 0 | 0 | 109.4 | R64 R65 | R64-D67 HydrophobicContact CB-CB 4.11Å; R64-D67 PolarHBondContact O-N 3.29Å; R64-D67 VanDerWaalsContact O-N 3.09Å; R65-D67 PolarHBondContact O-N 3Å | ||
| 68 | Y | 81 | Confident | 78.6 | Confident | 108 Ų | 108 | 103.9 Ų | 103.9 | 42% | 0.424 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117.9 | 172.2 | -60.2 | -90.6 | 0 | 0 | 0 | 108.2 | M23 R60 N66 | M23-Y68 HydrophobicContact CE-CD1 3.56Å; M23-Y68 HydrophobicContact CE-CE1 3.68Å; R60-Y68 HydrophobicContact CB-CD1 3.95Å; R60-Y68 HydrophobicContact CB-CE1 4.03Å; R60-Y68 VanDerWaalsContact CD-CE1 3.46Å; R60-Y68 HydrophobicContact CG-CD1 3.98Å; R60-Y68 HydrophobicContact CG-CE1 3.76Å; R60-Y68 PolarHBondContact NE-OH 2.95Å; R60-Y68 PolarHBondContact NH1-OH 3.34Å; R60-Y68 PolarHBondContact NH2-OH 2.86Å; N66-Y68 WeakPolarHBondContact O-CD2 3.41Å |
| 69 | L | 80.6 | Confident | 78 | Confident | 123 Ų | 123 | 106.1 Ų | 106.1 | 64% | 0.644 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.2 | 179 | -63.9 | 176.6 | 0 | 0 | 0 | 109.5 | M58 A59 E71 | M58-L69 CarbonylContact C-O 3.51Å; M58-L69 VanDerWaalsContact CA-O 3.27Å; M58-L69 WeakPolarHBondContact CA-O 3.01Å; A59-L69 PolarHBondContact N-O 2.65Å; A59-L69 PolarHBondContact O-N 2.79Å; A59-L69 VanDerWaalsContact O-N 3.14Å; L69-E71 PolarHBondContact O-N 2.79Å |
| 70 | L | 83.3 | Confident | 77.6 | Confident | 87 Ų | 87 | 110.7 Ų | 110.7 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 108.5 | 170.3 | -172.5 | 69.3 | 0 | 0 | 0 | 108 | D57 M58 S72 A73 | D57-L70 CarbonylContact O-C 3.58Å; M58-L70 HydrophobicContact CE-CB 4.37Å; M58-L70 HydrophobicContact CE-CD1 4.23Å; M58-L70 HydrophobicContact CG-CB 4.41Å; M58-L70 HydrophobicContact CG-CD1 3.89Å; L70-S72 WeakPolarHBondContact CD1-O 3.28Å; L70-A73 HydrophobicContact CD1-CB 4.46Å; L70-A73 HydrophobicContact CD2-CB 3.95Å; L70-A73 HydrophobicContact CG-CB 4.4Å |
| 71 | E | 81.8 | Confident | 77.2 | Confident | 126 Ų | 126 | 113.6 Ų | 113.6 | 59% | 0.589 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.1 | -38.9 | 179.6 | -67.4 | -165.9 | 105.5 | 0 | 0 | 111.5 | V22 D57 A59 L69 | V22-E71 WeakPolarHBondContact CG2-OE2 3.01Å; D57-E71 PolarHBondContact O-N 2.82Å; A59-E71 VanDerWaalsContact CB-CD 3.4Å; A59-E71 HydrophobicContact CB-CG 3.69Å; A59-E71 VanDerWaalsContact CB-OE2 3.32Å; A59-E71 WeakPolarHBondContact CB-OE2 3.36Å; L69-E71 PolarHBondContact O-N 2.79Å |
| 72 | S | 82.3 | Confident | 76.9 | Confident | 44 Ų | 44 | 118.6 Ų | 118.6 | 31% | 0.308 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -147 | 147.3 | -178 | 97.3 | 0 | 0 | 0 | 0 | 110.1 | G56 D57 L70 | G56-S72 CarbonylContact C-O 3.56Å; G56-S72 WeakPolarHBondContact CA-O 3.2Å; D57-S72 PolarHBondContact N-O 3.33Å; D57-S72 PolarHBondContact O-N 2.85Å; D57-S72 PolarHBondContact OD2-OG 2.83Å; L70-S72 WeakPolarHBondContact CD1-O 3.28Å |
| 73 | A | 87.1 | Confident | 77 | Confident | 47 Ų | 47 | 119.9 Ų | 119.9 | 39% | 0.388 | 59% | 0.588 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -148.2 | 132 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | F27 F55 L70 | F27-A73 HydrophobicContact CZ-CB 4.18Å; F55-A73 CarbonylContact O-C 3.56Å; F55-A73 VanDerWaalsContact O-CA 3.23Å; F55-A73 WeakPolarHBondContact O-CA 3.36Å; L70-A73 HydrophobicContact CD1-CB 4.46Å; L70-A73 HydrophobicContact CD2-CB 3.95Å; L70-A73 HydrophobicContact CG-CB 4.4Å |
| 74 | S | 88.1 | Confident | 77.1 | Confident | 67 Ų | 67 | 113.2 Ų | 113.2 | 47% | 0.469 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.8 | 144.1 | -178.4 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | M54 F55 | M54-S74 CarbonylContact C-O 3.55Å; M54-S74 VanDerWaalsContact CA-O 3.29Å; M54-S74 WeakPolarHBondContact CA-O 3.36Å; F55-S74 PolarHBondContact N-O 2.74Å; F55-S74 PolarHBondContact O-N 2.84Å |
| 75 | P | 87.3 | Confident | 77.8 | Confident | 71 Ų | 71 | 108.6 Ų | 108.6 | 46% | 0.461 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -58.8 | 140.1 | 168.8 | -16.7 | 29 | 0 | 0 | 0 | 110.4 | M54 H77 | M54-P75 HydrophobicContact CE-CG 4.18Å; M54-P75 HydrophobicContact SD-CB 4.18Å; M54-P75 HydrophobicContact SD-CG 4.35Å; P75-H77 PolarHBondContact O-N 2.79Å |
| 76 | F | 80.8 | Confident | 78.6 | Confident | 90 Ų | 90 | 99.6 Ų | 99.6 | 40% | 0.395 | 54% | 0.543 | S | S | . | . | trans | -66.8 | 121.6 | 170.9 | -174.6 | -118.9 | 0 | 0 | 0 | 109.9 | M53 F55 P78 | M53-F76 HydrophobicContact CB-CB 3.93Å; M53-F76 HydrophobicContact CE-CD1 3.93Å; M53-F76 HydrophobicContact CE-CE1 4.43Å; M53-F76 WeakPolarHBondContact O-CB 3.41Å; M53-F76 PolarHBondContact O-N 2.91Å; F55-F76 HydrophobicContact CD2-CB 3.88Å; F55-F76 AromaticContact CD2-CD2 3.47Å; F55-F76 HydrophobicContact CD2-CD2 3.47Å; F55-F76 VanDerWaalsContact CD2-CD2 3.47Å; F55-F76 HydrophobicContact CD2-CE2 4.32Å; F55-F76 HydrophobicContact CD2-CG 4.05Å; F55-F76 HydrophobicContact CE2-CB 3.83Å; F55-F76 AromaticContact CE2-CD2 2.92Å; F55-F76 HydrophobicContact CE2-CD2 2.92Å; F55-F76 AromaticContact CE2-CE2 3.46Å; F55-F76 HydrophobicContact CE2-CE2 3.46Å; F55-F76 VanDerWaalsContact CE2-CE2 3.46Å; F55-F76 AromaticContact CE2-CG 3.56Å; F55-F76 HydrophobicContact CE2-CG 3.56Å; F55-F76 HydrophobicContact CE2-CZ 4.49Å; F55-F76 AromaticContact CZ-CD2 3.69Å; F55-F76 HydrophobicContact CZ-CD2 3.69Å; F55-F76 AromaticContact CZ-CE2 3.73Å; F55-F76 HydrophobicContact CZ-CE2 3.73Å; F76-P78 HydrophobicContact CE1-CB 4.47Å | ||
| 77 | H | 68.6 | Low | 79.8 | Confident | 163 Ų | 163 | 98.9 Ų | 98.9 | 76% | 0.755 | 54% | 0.54 | S | S | * | . | trans | -105.7 | 124.1 | 165.4 | -80 | 122.4 | 0 | 0 | 0 | 108.5 | P75 | P75-H77 PolarHBondContact O-N 2.79Š| ||
| 78 | P | 59.9 | Low | 80.1 | Confident | 175 Ų | 175 | 100.1 Ų | 100.1 | 100% | 1.136 | 55% | 0.548 | S | S | * | . | trans | -68.4 | 0 | 178.4 | 29.9 | -34.8 | 0 | 0 | 0 | 113.1 | F76 | F76-P78 HydrophobicContact CE1-CB 4.47Š|
Retrieved 78 of 78 residues in 141.4 ms
(Link to these results)