| 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 | M | 40.1 | Very low | 43.2 | Very low | 248 Ų | 248 | 168.2 Ų | 168.2 | 100% | 1.222 | 82% | 0.817 | S | S | * | * | 0 | 126.6 | 0 | -73.3 | 150.9 | 104.9 | 0 | 0 | 107 | |||||
| 2 | S | 42.4 | Very low | 44 | Very low | 122 Ų | 122 | 163.9 Ų | 163.9 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -72.2 | 159.3 | -159.6 | -45.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 3 | F | 44.2 | Very low | 45.2 | Very low | 192 Ų | 192 | 157.5 Ų | 157.5 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -53 | 139.4 | -166.2 | -74.3 | -99.7 | 0 | 0 | 0 | 115.8 | Y5 | F3-Y5 PolarHBondContact O-N 3.25Š| ||
| 4 | P | 46.2 | Very low | 46.5 | Very low | 105 Ų | 105 | 154.6 Ų | 154.6 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | trans | -78.5 | 113.7 | 177.7 | 32 | -31.1 | 0 | 0 | 0 | 110.3 | W6 | P4-W6 VanDerWaalsContact C-N 3.32Å; P4-W6 PolarHBondContact O-N 3.24Å | ||
| 5 | Y | 41 | Very low | 48 | Very low | 221 Ų | 221 | 151.2 Ų | 151.2 | 87% | 0.867 | 74% | 0.742 | S | S | * | * | trans | -60.3 | 92.4 | 162 | -74.4 | -97.6 | 0 | 0 | 0 | 109.1 | F3 H7 | F3-Y5 PolarHBondContact O-N 3.25Å; Y5-H7 PolarHBondContact O-N 3.26Å | ||
| 6 | W | 40.3 | Very low | 49.6 | Very low | 244 Ų | 244 | 148.1 Ų | 148.1 | 92% | 0.924 | 72% | 0.723 | S | S | * | * | trans | -68.2 | 101 | 168.8 | -107.4 | 74.3 | 0 | 0 | 0 | 109.1 | P4 | P4-W6 VanDerWaalsContact C-N 3.32Å; P4-W6 PolarHBondContact O-N 3.24Å | ||
| 7 | H | 39.7 | Very low | 51.3 | Low | 146 Ų | 146 | 147.5 Ų | 147.5 | 68% | 0.676 | 72% | 0.718 | S | S | * | * | trans | -63 | 145.7 | 169.5 | -114.1 | -106 | 0 | 0 | 0 | 111.7 | Y5 | Y5-H7 PolarHBondContact O-N 3.26Š| ||
| 8 | N | 39.7 | Very low | 52.7 | Low | 98 Ų | 98 | 141.6 Ų | 141.6 | 52% | 0.524 | 69% | 0.691 | S | S | . | * | trans | 80.1 | 98.7 | 158.1 | -56.8 | -50.2 | 0 | 0 | 0 | 118.2 | Q11 | N8-Q11 PolarHBondContact OD1-NE2 3.19Š| ||
| 9 | L | 43.2 | Very low | 54 | Low | 170 Ų | 170 | 145 Ų | 145 | 89% | 0.89 | 71% | 0.705 | S | S | * | * | S | Bend | 177.8 | 9.5 | 124.8 | -94 | 158.4 | 0 | 0 | 0 | 116.4 | |||
| 10 | L | 48.1 | Very low | 54.8 | Low | 150 Ų | 150 | 139.9 Ų | 139.9 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | trans | -141.1 | 54.5 | 167.7 | -85.6 | 162.3 | 0 | 0 | 0 | 110.6 | N12 H13 | L10-N12 PolarHBondContact O-N 2.9Å; L10-H13 PolarHBondContact O-N 3.2Å | ||
| 11 | Q | 50.2 | Low | 55.7 | Low | 154 Ų | 154 | 139.6 Ų | 139.6 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | 3.5 | -162.3 | -72.4 | 173.7 | -17.6 | 0 | 0 | 118.3 | N8 | N8-Q11 PolarHBondContact OD1-NE2 3.19Š|
| 12 | N | 53.3 | Low | 57.6 | Low | 117 Ų | 117 | 130.5 Ų | 130.5 | 63% | 0.626 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | -13.2 | 172.7 | -69.3 | -4.2 | 0 | 0 | 0 | 113.9 | L10 | L10-N12 PolarHBondContact O-N 2.9Š|
| 13 | H | 58.7 | Low | 59.7 | Low | 81 Ų | 81 | 128.9 Ų | 128.9 | 38% | 0.375 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -124.3 | 95.1 | -177.5 | -66.4 | -49 | 0 | 0 | 0 | 111.3 | L10 I15 I25 N26 D28 | L10-H13 PolarHBondContact O-N 3.2Å; H13-I15 PolarHBondContact O-N 3.21Å; H13-I15 VanDerWaalsContact O-N 3.08Å; H13-I25 HydrophobicContact CB-CG2 3.55Å; H13-N26 WeakPolarHBondContact CA-O 3.29Å; H13-N26 PolarHBondContact ND1-O 2.91Å; H13-D28 IonicContact CE1-OD2 3.66Å |
| 14 | L | 63.4 | Low | 61.5 | Low | 116 Ų | 116 | 120.2 Ų | 120.2 | 61% | 0.607 | 59% | 0.589 | S | S | * | * | trans | -65.5 | 107.8 | 174.8 | -67.3 | 168.2 | 0 | 0 | 0 | 109.2 | N26 | L14-N26 HydrophobicContact CB-CB 3.96Å; L14-N26 WeakPolarHBondContact O-CB 3.44Å; L14-N26 PolarHBondContact O-N 3.48Å | ||
| 15 | I | 70.3 | Confident | 63.3 | Low | 104 Ų | 104 | 116.9 Ų | 116.9 | 53% | 0.533 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.4 | 132.6 | 171 | 48.5 | 161.2 | 0 | 0 | 0 | 109.4 | H13 F23 L24 I25 | H13-I15 PolarHBondContact O-N 3.21Å; H13-I15 VanDerWaalsContact O-N 3.08Å; I15-F23 HydrophobicContact CB-CD2 4.37Å; I15-F23 HydrophobicContact CB-CE1 4.06Å; I15-F23 HydrophobicContact CB-CE2 3.51Å; I15-F23 HydrophobicContact CB-CZ 3.36Å; I15-F23 HydrophobicContact CD1-CE2 3.5Å; I15-F23 HydrophobicContact CD1-CZ 3.6Å; I15-F23 HydrophobicContact CG1-CE2 4.05Å; I15-F23 HydrophobicContact CG1-CZ 4.04Å; I15-F23 HydrophobicContact CG2-CD1 4.48Å; I15-F23 HydrophobicContact CG2-CE1 3.46Å; I15-F23 VanDerWaalsContact CG2-CE1 3.46Å; I15-F23 HydrophobicContact CG2-CE2 3.83Å; I15-F23 HydrophobicContact CG2-CZ 3.09Å; I15-L24 CarbonylContact C-O 3.58Å; I15-L24 WeakPolarHBondContact CA-O 3.34Å; I15-I25 HydrophobicContact CG2-CG1 4.16Å |
| 16 | K | 73.3 | Confident | 65.4 | Low | 102 Ų | 102 | 108.1 Ų | 108.1 | 44% | 0.443 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 158.1 | 175.7 | -56 | -177 | 175.3 | -173.6 | 0 | 108.7 | L24 | K16-L24 HydrophobicContact CB-CD1 3.71Å; K16-L24 HydrophobicContact CB-CG 4.42Å; K16-L24 HydrophobicContact CG-CD1 4.48Å; K16-L24 PolarHBondContact N-O 3.25Å; K16-L24 WeakPolarHBondContact O-CG 2.93Å; K16-L24 PolarHBondContact O-N 2.97Å |
| 17 | E | 77.3 | Confident | 67.3 | Low | 138 Ų | 138 | 97.6 Ų | 97.6 | 65% | 0.645 | 50% | 0.497 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.1 | 167.3 | -74.3 | 166.3 | 100.8 | 0 | 0 | 107.8 | N22 | E17-N22 WeakPolarHBondContact CA-O 3.31Å |
| 18 | D | 77.2 | Confident | 69.2 | Low | 41 Ų | 41 | 96.5 Ų | 96.5 | 22% | 0.219 | 50% | 0.496 | C | S | . | . | trans | -73 | 175.5 | 167 | 66.7 | 3.6 | 0 | 0 | 0 | 111 | G20 N21 N22 L24 Y34 | D18-G20 PolarHBondContact O-N 2.77Å; D18-G20 WeakPolarHBondContact OD1-CA 3.34Å; D18-G20 PolarHBondContact OD1-N 2.89Å; D18-N21 PolarHBondContact O-N 3.03Å; D18-N21 PolarHBondContact OD1-N 2.8Å; D18-N21 VanDerWaalsContact OD1-N 3.13Å; D18-N22 PolarHBondContact N-O 3.47Å; D18-N22 WeakPolarHBondContact OD1-CA 3.37Å; D18-N22 VanDerWaalsContact OD1-CB 3.26Å; D18-N22 WeakPolarHBondContact OD1-CB 2.98Å; D18-N22 PolarHBondContact OD1-N 3.26Å; D18-N22 PolarHBondContact OD1-ND2 3.48Å; D18-N22 WeakPolarHBondContact OD2-CB 3.33Å; D18-N22 PolarHBondContact OD2-ND2 3.39Å; D18-L24 HydrophobicContact CB-CD2 3.72Å; D18-Y34 HydrophobicContact CB-CE1 4.46Å; D18-Y34 WeakPolarHBondContact OD2-CE1 3.4Å | ||
| 19 | E | 77.4 | Confident | 71.1 | Confident | 206 Ų | 206 | 96 Ų | 96 | 96% | 0.963 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -13 | 172 | -70 | -175.9 | 157.3 | 0 | 0 | 113.4 | N21 | E19-N21 VanDerWaalsContact C-N 3.33Š|
| 20 | G | 69.8 | Low | 72.8 | Confident | 42 Ų | 42 | 89.7 Ų | 89.7 | 43% | 0.433 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 7.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | D18 N22 | D18-G20 PolarHBondContact O-N 2.77Å; D18-G20 WeakPolarHBondContact OD1-CA 3.34Å; D18-G20 PolarHBondContact OD1-N 2.89Å; G20-N22 PolarHBondContact O-N 2.74Å; G20-N22 VanDerWaalsContact O-N 3.16Å |
| 21 | N | 74.4 | Confident | 74.5 | Confident | 134 Ų | 134 | 82.6 Ų | 82.6 | 72% | 0.717 | 43% | 0.432 | S | S | * | . | S | Bend | trans | 53.9 | 26.4 | -170.1 | -58.3 | -53.2 | 0 | 0 | 0 | 112.7 | D18 E19 | D18-N21 PolarHBondContact O-N 3.03Å; D18-N21 PolarHBondContact OD1-N 2.8Å; D18-N21 VanDerWaalsContact OD1-N 3.13Å; E19-N21 VanDerWaalsContact C-N 3.33Å |
| 22 | N | 80.2 | Confident | 76.3 | Confident | 58 Ų | 58 | 78.2 Ų | 78.2 | 31% | 0.31 | 41% | 0.41 | S | S | . | . | trans | -90.8 | 127.2 | 173 | -54.8 | -65.8 | 0 | 0 | 0 | 108.6 | E17 D18 G20 L24 Y34 | E17-N22 WeakPolarHBondContact CA-O 3.31Å; D18-N22 PolarHBondContact N-O 3.47Å; D18-N22 WeakPolarHBondContact OD1-CA 3.37Å; D18-N22 VanDerWaalsContact OD1-CB 3.26Å; D18-N22 WeakPolarHBondContact OD1-CB 2.98Å; D18-N22 PolarHBondContact OD1-N 3.26Å; D18-N22 PolarHBondContact OD1-ND2 3.48Å; D18-N22 WeakPolarHBondContact OD2-CB 3.33Å; D18-N22 PolarHBondContact OD2-ND2 3.39Å; G20-N22 PolarHBondContact O-N 2.74Å; G20-N22 VanDerWaalsContact O-N 3.16Å; N22-L24 PolarHBondContact O-N 2.91Å; N22-Y34 HydrophobicContact CB-CD1 4.14Å; N22-Y34 HydrophobicContact CB-CE1 4.29Å | ||
| 23 | F | 85.1 | Confident | 77.8 | Confident | 87 Ų | 87 | 74.6 Ų | 74.6 | 38% | 0.382 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 123.9 | 172 | -170.2 | -99.3 | 0 | 0 | 0 | 110.4 | I15 I25 P35 | I15-F23 HydrophobicContact CB-CD2 4.37Å; I15-F23 HydrophobicContact CB-CE1 4.06Å; I15-F23 HydrophobicContact CB-CE2 3.51Å; I15-F23 HydrophobicContact CB-CZ 3.36Å; I15-F23 HydrophobicContact CD1-CE2 3.5Å; I15-F23 HydrophobicContact CD1-CZ 3.6Å; I15-F23 HydrophobicContact CG1-CE2 4.05Å; I15-F23 HydrophobicContact CG1-CZ 4.04Å; I15-F23 HydrophobicContact CG2-CD1 4.48Å; I15-F23 HydrophobicContact CG2-CE1 3.46Å; I15-F23 VanDerWaalsContact CG2-CE1 3.46Å; I15-F23 HydrophobicContact CG2-CE2 3.83Å; I15-F23 HydrophobicContact CG2-CZ 3.09Å; F23-I25 HydrophobicContact CD1-CG1 4.39Å; F23-I25 HydrophobicContact CE1-CG1 4.06Å; F23-P35 HydrophobicContact CD1-CG 3.74Å; F23-P35 HydrophobicContact CE1-CG 4.35Å; F23-P35 WeakPolarHBondContact O-CD 3.02Å |
| 24 | L | 83.4 | Confident | 79.1 | Confident | 10 Ų | 10 | 72.6 Ų | 72.6 | 5% | 0.052 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.4 | 175.2 | 59.2 | 82.8 | 0 | 0 | 0 | 111 | I15 K16 D18 N22 Y32 L33 Y34 | I15-L24 CarbonylContact C-O 3.58Å; I15-L24 WeakPolarHBondContact CA-O 3.34Å; K16-L24 HydrophobicContact CB-CD1 3.71Å; K16-L24 HydrophobicContact CB-CG 4.42Å; K16-L24 HydrophobicContact CG-CD1 4.48Å; K16-L24 PolarHBondContact N-O 3.25Å; K16-L24 WeakPolarHBondContact O-CG 2.93Å; K16-L24 PolarHBondContact O-N 2.97Å; D18-L24 HydrophobicContact CB-CD2 3.72Å; N22-L24 PolarHBondContact O-N 2.91Å; L24-Y32 HydrophobicContact CD1-CD1 3.52Å; L24-Y32 HydrophobicContact CD1-CE1 4.28Å; L24-Y32 HydrophobicContact CD1-CG 3.87Å; L24-L33 CarbonylContact C-O 3.53Å; L24-L33 VanDerWaalsContact CA-O 3.31Å; L24-L33 WeakPolarHBondContact CA-O 3.36Å; L24-Y34 HydrophobicContact CB-CD1 3.92Å; L24-Y34 HydrophobicContact CB-CD2 4.47Å; L24-Y34 HydrophobicContact CB-CE1 3.84Å; L24-Y34 HydrophobicContact CB-CE2 4.37Å; L24-Y34 HydrophobicContact CB-CG 4.25Å; L24-Y34 HydrophobicContact CD2-CD1 4.49Å; L24-Y34 HydrophobicContact CD2-CE1 3.6Å; L24-Y34 HydrophobicContact CD2-CE2 4.33Å; L24-Y34 VanDerWaalsContact CD2-CZ 3.5Å; L24-Y34 VanDerWaalsContact CD2-OH 3.3Å; L24-Y34 WeakPolarHBondContact CD2-OH 3.2Å; L24-Y34 HydrophobicContact CG-CE1 4.34Å |
| 25 | I | 84.2 | Confident | 79.9 | Confident | 35 Ų | 35 | 68.8 Ų | 68.8 | 18% | 0.179 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 117.6 | -176 | -58.3 | 175 | 0 | 0 | 0 | 106.8 | H13 I15 F23 C27 Y32 L33 P35 | H13-I25 HydrophobicContact CB-CG2 3.55Å; I15-I25 HydrophobicContact CG2-CG1 4.16Å; F23-I25 HydrophobicContact CD1-CG1 4.39Å; F23-I25 HydrophobicContact CE1-CG1 4.06Å; I25-C27 PolarHBondContact O-N 3.16Å; I25-Y32 CarbonylContact O-C 3.56Å; I25-Y32 WeakPolarHBondContact O-CA 3.08Å; I25-L33 HydrophobicContact CB-CB 4.2Å; I25-L33 HydrophobicContact CD1-CD2 4.28Å; I25-L33 PolarHBondContact N-O 3.45Å; I25-L33 PolarHBondContact O-N 2.03Å; I25-P35 HydrophobicContact CD1-CB 4.33Å; I25-P35 HydrophobicContact CD1-CG 3.87Å; I25-P35 HydrophobicContact CG1-CG 4.11Å |
| 26 | N | 83.9 | Confident | 80.3 | Confident | 37 Ų | 37 | 67.1 Ų | 67.1 | 20% | 0.198 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 126 | 173.1 | -169.3 | 7.6 | 0 | 0 | 0 | 110.1 | H13 L14 G31 Y32 | H13-N26 WeakPolarHBondContact CA-O 3.29Å; H13-N26 PolarHBondContact ND1-O 2.91Å; L14-N26 HydrophobicContact CB-CB 3.96Å; L14-N26 WeakPolarHBondContact O-CB 3.44Å; L14-N26 PolarHBondContact O-N 3.48Å; N26-G31 PolarHBondContact OD1-O 2.88Å; N26-Y32 HydrophobicContact CB-CD1 4.36Å; N26-Y32 HydrophobicContact CB-CE1 4.41Å |
| 27 | C | 80.1 | Confident | 80.6 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 16% | 0.155 | 36% | 0.361 | C | S | . | . | trans | -99.6 | 149.5 | 178.1 | -62 | 0 | 0 | 0 | 0 | 110.9 | I25 N29 G30 G31 Y41 | I25-C27 PolarHBondContact O-N 3.16Å; C27-N29 PolarHBondContact O-N 3.21Å; C27-G30 PolarHBondContact O-N 2.82Å; C27-G31 PolarHBondContact N-O 3.49Å; C27-Y41 HydrophobicContact CB-CE2 3.73Å | ||
| 28 | D | 79.1 | Confident | 81 | Confident | 123 Ų | 123 | 66.1 Ų | 66.1 | 66% | 0.658 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.4 | 177.9 | -56.9 | -49.8 | 0 | 0 | 0 | 113.1 | H13 G30 | H13-D28 IonicContact CE1-OD2 3.66Å; D28-G30 PolarHBondContact O-N 2.78Å |
| 29 | N | 79.8 | Confident | 81.2 | Confident | 89 Ų | 89 | 70.8 Ų | 70.8 | 48% | 0.476 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 7.4 | 176.3 | -77.9 | -16.6 | 0 | 0 | 0 | 114.7 | C27 Y41 G52 C54 | C27-N29 PolarHBondContact O-N 3.21Å; N29-Y41 VanDerWaalsContact CB-OH 3.29Å; N29-Y41 WeakPolarHBondContact CB-OH 3.48Å; N29-Y41 PolarHBondContact O-OH 2.84Å; N29-G52 PolarHBondContact ND2-O 3.1Å; N29-C54 WeakPolarHBondContact O-CB 3.06Å; N29-C54 PolarHBondContact O-N 3.24Å |
| 30 | G | 79 | Confident | 81.5 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 38% | 0.381 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 79.4 | 14.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | C27 D28 P44 | C27-G30 PolarHBondContact O-N 2.82Å; D28-G30 PolarHBondContact O-N 2.78Å; G30-P44 VanDerWaalsContact O-CD 3.24Å; G30-P44 WeakPolarHBondContact O-CD 3.25Å |
| 31 | G | 84.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -116.9 | 178.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N26 C27 Y41 C54 | N26-G31 PolarHBondContact OD1-O 2.88Å; C27-G31 PolarHBondContact N-O 3.49Å; G31-Y41 VanDerWaalsContact CA-OH 3.3Å; G31-Y41 WeakPolarHBondContact CA-OH 3.13Å; G31-Y41 PolarHBondContact N-OH 3.37Å; G31-Y41 VanDerWaalsContact N-OH 3.14Å; G31-C54 WeakPolarHBondContact CA-SG 3.44Å | ||
| 32 | Y | 86.9 | Confident | 82.7 | Confident | 63 Ų | 63 | 63.1 Ų | 63.1 | 25% | 0.247 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123.7 | -178.1 | -56.1 | -59.8 | 0 | 0 | 0 | 109.6 | L24 I25 N26 Q42 P44 | L24-Y32 HydrophobicContact CD1-CD1 3.52Å; L24-Y32 HydrophobicContact CD1-CE1 4.28Å; L24-Y32 HydrophobicContact CD1-CG 3.87Å; I25-Y32 CarbonylContact O-C 3.56Å; I25-Y32 WeakPolarHBondContact O-CA 3.08Å; N26-Y32 HydrophobicContact CB-CD1 4.36Å; N26-Y32 HydrophobicContact CB-CE1 4.41Å; Y32-Q42 PolarHBondContact N-O 2.96Å; Y32-Q42 PolarHBondContact O-N 3.19Å; Y32-P44 HydrophobicContact CE2-CB 4.17Å |
| 33 | L | 85.6 | Confident | 82.9 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.5 | 176.6 | -170.6 | 92.7 | 0 | 0 | 0 | 109.5 | L24 I25 P35 F39 I40 Y41 | L24-L33 CarbonylContact C-O 3.53Å; L24-L33 VanDerWaalsContact CA-O 3.31Å; L24-L33 WeakPolarHBondContact CA-O 3.36Å; I25-L33 HydrophobicContact CB-CB 4.2Å; I25-L33 HydrophobicContact CD1-CD2 4.28Å; I25-L33 PolarHBondContact N-O 3.45Å; I25-L33 PolarHBondContact O-N 2.03Å; L33-P35 WeakPolarHBondContact O-CD 3.07Å; L33-F39 HydrophobicContact CD2-CD1 3.9Å; L33-I40 CarbonylContact C-O 3.54Å; L33-I40 WeakPolarHBondContact CA-O 3.39Å; L33-Y41 HydrophobicContact CB-CD2 4.42Å; L33-Y41 HydrophobicContact CD1-CD2 4.06Å |
| 34 | Y | 85.7 | Confident | 82.7 | Confident | 40 Ų | 40 | 59 Ų | 59 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 93.1 | -179.4 | -68.6 | -99 | 0 | 0 | 0 | 110.6 | D18 N22 L24 A36 V37 F39 I40 Q42 | D18-Y34 HydrophobicContact CB-CE1 4.46Å; D18-Y34 WeakPolarHBondContact OD2-CE1 3.4Å; N22-Y34 HydrophobicContact CB-CD1 4.14Å; N22-Y34 HydrophobicContact CB-CE1 4.29Å; L24-Y34 HydrophobicContact CB-CD1 3.92Å; L24-Y34 HydrophobicContact CB-CD2 4.47Å; L24-Y34 HydrophobicContact CB-CE1 3.84Å; L24-Y34 HydrophobicContact CB-CE2 4.37Å; L24-Y34 HydrophobicContact CB-CG 4.25Å; L24-Y34 HydrophobicContact CD2-CD1 4.49Å; L24-Y34 HydrophobicContact CD2-CE1 3.6Å; L24-Y34 HydrophobicContact CD2-CE2 4.33Å; L24-Y34 VanDerWaalsContact CD2-CZ 3.5Å; L24-Y34 VanDerWaalsContact CD2-OH 3.3Å; L24-Y34 WeakPolarHBondContact CD2-OH 3.2Å; L24-Y34 HydrophobicContact CG-CE1 4.34Å; Y34-A36 PolarHBondContact O-N 2.78Å; Y34-V37 HydrophobicContact CD1-CG2 4.39Å; Y34-V37 HydrophobicContact CG-CG2 4.09Å; Y34-V37 PolarHBondContact O-N 2.83Å; Y34-F39 WeakPolarHBondContact O-CA 2.99Å; Y34-F39 PolarHBondContact O-N 3.43Å; Y34-F39 VanDerWaalsContact O-N 3.12Å; Y34-I40 PolarHBondContact N-O 2.93Å; Y34-I40 PolarHBondContact O-N 2.93Å; Y34-Q42 HydrophobicContact CD2-CB 4.23Å; Y34-Q42 HydrophobicContact CE2-CB 3.69Å |
| 35 | P | 80.8 | Confident | 82.5 | Confident | 35 Ų | 35 | 64.5 Ų | 64.5 | 23% | 0.227 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.9 | 178.1 | 26.4 | -37.3 | 0 | 0 | 0 | 113.1 | F23 I25 L33 V37 F39 | F23-P35 HydrophobicContact CD1-CG 3.74Å; F23-P35 HydrophobicContact CE1-CG 4.35Å; F23-P35 WeakPolarHBondContact O-CD 3.02Å; I25-P35 HydrophobicContact CD1-CB 4.33Å; I25-P35 HydrophobicContact CD1-CG 3.87Å; I25-P35 HydrophobicContact CG1-CG 4.11Å; L33-P35 WeakPolarHBondContact O-CD 3.07Å; P35-V37 VanDerWaalsContact C-N 3.29Å; P35-V37 PolarHBondContact O-N 2.97Å; P35-F39 HydrophobicContact CB-CD1 4.03Å; P35-F39 HydrophobicContact CB-CE1 3.67Å; P35-F39 HydrophobicContact CB-CZ 4.18Å |
| 36 | A | 79.6 | Confident | 82 | Confident | 70 Ų | 70 | 64.6 Ų | 64.6 | 58% | 0.579 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -24.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y34 | Y34-A36 PolarHBondContact O-N 2.78Š|
| 37 | V | 79.1 | Confident | 81.9 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 39% | 0.388 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.1 | 74.8 | -179.2 | -70.6 | 0 | 0 | 0 | 0 | 110.7 | Y34 P35 F39 I40 | Y34-V37 HydrophobicContact CD1-CG2 4.39Å; Y34-V37 HydrophobicContact CG-CG2 4.09Å; Y34-V37 PolarHBondContact O-N 2.83Å; P35-V37 VanDerWaalsContact C-N 3.29Å; P35-V37 PolarHBondContact O-N 2.97Å; V37-F39 PolarHBondContact O-N 3.23Å; V37-F39 VanDerWaalsContact O-N 3.11Å; V37-I40 HydrophobicContact CB-CD1 4.38Å; V37-I40 HydrophobicContact CG2-CD1 4.3Å; V37-I40 WeakPolarHBondContact O-CD1 3.06Å; V37-I40 WeakPolarHBondContact O-CG1 3.04Å; V37-I40 PolarHBondContact O-N 2.02Å |
| 38 | N | 84.4 | Confident | 81.9 | Confident | 155 Ų | 155 | 67.1 Ų | 67.1 | 83% | 0.829 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 31.4 | 175.4 | -67.7 | -48.2 | 0 | 0 | 0 | 115.3 | I40 | N38-I40 VanDerWaalsContact C-N 3.29Å; N38-I40 PolarHBondContact O-N 2.03Å |
| 39 | F | 81.5 | Confident | 82.1 | Confident | 138 Ų | 138 | 69.6 Ų | 69.6 | 61% | 0.605 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 43.1 | -180 | -66.6 | -87 | 0 | 0 | 0 | 113.4 | L33 Y34 P35 V37 | L33-F39 HydrophobicContact CD2-CD1 3.9Å; Y34-F39 WeakPolarHBondContact O-CA 2.99Å; Y34-F39 PolarHBondContact O-N 3.43Å; Y34-F39 VanDerWaalsContact O-N 3.12Å; P35-F39 HydrophobicContact CB-CD1 4.03Å; P35-F39 HydrophobicContact CB-CE1 3.67Å; P35-F39 HydrophobicContact CB-CZ 4.18Å; V37-F39 PolarHBondContact O-N 3.23Å; V37-F39 VanDerWaalsContact O-N 3.11Å |
| 40 | I | 84.5 | Confident | 82.1 | Confident | 78 Ų | 78 | 69.7 Ų | 69.7 | 40% | 0.4 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.2 | 177.8 | -67.8 | 163.4 | 0 | 0 | 0 | 109.8 | L33 Y34 V37 N38 | L33-I40 CarbonylContact C-O 3.54Å; L33-I40 WeakPolarHBondContact CA-O 3.39Å; Y34-I40 PolarHBondContact N-O 2.93Å; Y34-I40 PolarHBondContact O-N 2.93Å; V37-I40 HydrophobicContact CB-CD1 4.38Å; V37-I40 HydrophobicContact CG2-CD1 4.3Å; V37-I40 WeakPolarHBondContact O-CD1 3.06Å; V37-I40 WeakPolarHBondContact O-CG1 3.04Å; V37-I40 PolarHBondContact O-N 2.02Å; N38-I40 VanDerWaalsContact C-N 3.29Å; N38-I40 PolarHBondContact O-N 2.03Å |
| 41 | Y | 85.4 | Confident | 82.2 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 14% | 0.141 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 118.6 | 173.4 | -175 | -90.7 | 0 | 0 | 0 | 110.6 | C27 N29 G31 L33 R49 C54 | C27-Y41 HydrophobicContact CB-CE2 3.73Å; N29-Y41 VanDerWaalsContact CB-OH 3.29Å; N29-Y41 WeakPolarHBondContact CB-OH 3.48Å; N29-Y41 PolarHBondContact O-OH 2.84Å; G31-Y41 VanDerWaalsContact CA-OH 3.3Å; G31-Y41 WeakPolarHBondContact CA-OH 3.13Å; G31-Y41 PolarHBondContact N-OH 3.37Å; G31-Y41 VanDerWaalsContact N-OH 3.14Å; L33-Y41 HydrophobicContact CB-CD2 4.42Å; L33-Y41 HydrophobicContact CD1-CD2 4.06Å; Y41-R49 VanDerWaalsContact CD1-CD 3.47Å; Y41-R49 HydrophobicContact CD1-CG 4Å; Y41-R49 HydrophobicContact CE1-CG 4.05Å; Y41-C54 WeakPolarHBondContact CE1-SG 3.27Å; Y41-C54 PolarHBondContact OH-SG 2.94Å |
| 42 | Q | 83.3 | Confident | 81.9 | Confident | 107 Ų | 107 | 76.9 Ų | 76.9 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.8 | -179.3 | -155 | 97.5 | -21.2 | 0 | 0 | 110.2 | Y32 Y34 | Y32-Q42 PolarHBondContact N-O 2.96Å; Y32-Q42 PolarHBondContact O-N 3.19Å; Y34-Q42 HydrophobicContact CD2-CB 4.23Å; Y34-Q42 HydrophobicContact CE2-CB 3.69Å |
| 43 | C | 84.3 | Confident | 81.7 | Confident | 25 Ų | 25 | 75.4 Ų | 75.4 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -91.6 | 152.3 | 171.5 | -66.7 | 0 | 0 | 0 | 0 | 111.2 | F47 C54 | C43-F47 HydrophobicContact CB-CB 3.92Å; C43-F47 VanDerWaalsContact CB-O 3.25Å; C43-F47 WeakPolarHBondContact CB-O 3.02Å; C43-C54 WeakPolarHBondContact CA-SG 3.43Å; C43-C54 HydrophobicContact CB-CB 3.85Å; C43-C54 WeakPolarHBondContact CB-SG 3.33Å; C43-C54 WeakPolarHBondContact SG-CA 3.39Å; C43-C54 WeakPolarHBondContact SG-CB 3.21Å; C43-C54 CovalentContact SG-SG 2.04Å; C43-C54 PolarHBondContact SG-SG 2.89Å |
| 44 | P | 81.4 | Confident | 81.7 | Confident | 35 Ų | 35 | 74.2 Ų | 74.2 | 23% | 0.227 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -60.3 | 157.9 | 171.2 | 23.6 | -31.2 | 0 | 0 | 0 | 111.5 | G30 Y32 G46 F47 | G30-P44 VanDerWaalsContact O-CD 3.24Å; G30-P44 WeakPolarHBondContact O-CD 3.25Å; Y32-P44 HydrophobicContact CE2-CB 4.17Å; P44-G46 PolarHBondContact O-N 2.95Å; P44-F47 HydrophobicContact CB-CD2 4.46Å; P44-F47 HydrophobicContact CG-CB 4.13Å; P44-F47 HydrophobicContact CG-CD2 3.8Å; P44-F47 HydrophobicContact CG-CG 4.08Å; P44-F47 WeakPolarHBondContact O-CB 3.15Å; P44-F47 PolarHBondContact O-N 3.02Å |
| 45 | S | 78.7 | Confident | 81.5 | Confident | 124 Ų | 124 | 75.1 Ų | 75.1 | 87% | 0.867 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 127.5 | 175.4 | 45.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 46 | G | 74.7 | Confident | 81.3 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 39% | 0.392 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.8 | 1.5 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | P44 P56 I57 | P44-G46 PolarHBondContact O-N 2.95Å; G46-P56 CarbonylContact O-C 3.51Å; G46-P56 WeakPolarHBondContact O-CA 3.19Å; G46-I57 PolarHBondContact O-N 2.99Å |
| 47 | F | 81.5 | Confident | 80.9 | Confident | 90 Ų | 90 | 75.6 Ų | 75.6 | 40% | 0.395 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 142.4 | 175 | -66.7 | -105.6 | 0 | 0 | 0 | 111.2 | C43 P44 C54 I55 P56 | C43-F47 HydrophobicContact CB-CB 3.92Å; C43-F47 VanDerWaalsContact CB-O 3.25Å; C43-F47 WeakPolarHBondContact CB-O 3.02Å; P44-F47 HydrophobicContact CB-CD2 4.46Å; P44-F47 HydrophobicContact CG-CB 4.13Å; P44-F47 HydrophobicContact CG-CD2 3.8Å; P44-F47 HydrophobicContact CG-CG 4.08Å; P44-F47 WeakPolarHBondContact O-CB 3.15Å; P44-F47 PolarHBondContact O-N 3.02Å; F47-C54 HydrophobicContact CB-CB 4.09Å; F47-C54 HydrophobicContact CD1-CB 4.46Å; F47-I55 CarbonylContact C-O 3.59Å; F47-I55 WeakPolarHBondContact CA-O 3.48Å; F47-I55 WeakPolarHBondContact CB-O 3.17Å; F47-I55 VanDerWaalsContact CD1-C 3.45Å; F47-P56 HydrophobicContact CD1-CB 4.27Å; F47-P56 HydrophobicContact CE1-CB 4.03Å; F47-P56 HydrophobicContact CE1-CG 4.48Å; F47-P56 HydrophobicContact CZ-CB 4.46Å |
| 48 | A | 81.1 | Confident | 80.2 | Confident | 23 Ų | 23 | 79.6 Ų | 79.6 | 19% | 0.19 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | H50 I55 I57 M71 | A48-H50 PolarHBondContact O-N 2.87Å; A48-I55 PolarHBondContact N-O 3.31Å; A48-I55 PolarHBondContact O-N 2.87Å; A48-I57 HydrophobicContact CB-CD1 4.48Å; A48-I57 HydrophobicContact CB-CG1 3.79Å; A48-M71 HydrophobicContact CB-CG 4.27Å; A48-M71 HydrophobicContact CB-SD 3.6Å; A48-M71 VanDerWaalsContact CB-SD 3.6Å |
| 49 | R | 81.6 | Confident | 79.3 | Confident | 174 Ų | 174 | 77.7 Ų | 77.7 | 66% | 0.657 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 111.4 | 178.6 | -164.5 | 178.2 | 103 | -155.8 | 8.6 | 109.6 | Y41 A53 | Y41-R49 VanDerWaalsContact CD1-CD 3.47Å; Y41-R49 HydrophobicContact CD1-CG 4Å; Y41-R49 HydrophobicContact CE1-CG 4.05Å; R49-A53 CarbonylContact C-O 3.57Å; R49-A53 WeakPolarHBondContact CA-O 3.48Å |
| 50 | H | 81.5 | Confident | 78.9 | Confident | 91 Ų | 91 | 76.2 Ų | 76.2 | 42% | 0.421 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 121.3 | 176.8 | -170.3 | -95.5 | 0 | 0 | 0 | 109.4 | A48 G52 A53 I55 | A48-H50 PolarHBondContact O-N 2.87Å; H50-G52 PolarHBondContact O-N 2.9Å; H50-G52 VanDerWaalsContact O-N 3.15Å; H50-A53 PolarHBondContact N-O 3.48Å; H50-A53 PolarHBondContact O-N 3.24Å; H50-I55 HydrophobicContact CB-CD1 3.35Å; H50-I55 HydrophobicContact CB-CG1 3.58Å; H50-I55 HydrophobicContact CB-CG2 4.34Å |
| 51 | N | 79.7 | Confident | 78.7 | Confident | 155 Ų | 155 | 77.5 Ų | 77.5 | 83% | 0.829 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.4 | 33.9 | -175.5 | -66.6 | -19.1 | 0 | 0 | 0 | 114.7 | A53 | N51-A53 VanDerWaalsContact C-N 3.26Å; N51-A53 PolarHBondContact O-N 2.83Å |
| 52 | G | 79.3 | Confident | 78.5 | Confident | 34 Ų | 34 | 75.8 Ų | 75.8 | 35% | 0.351 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | -3.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | N29 H50 | N29-G52 PolarHBondContact ND2-O 3.1Å; H50-G52 PolarHBondContact O-N 2.9Å; H50-G52 VanDerWaalsContact O-N 3.15Å |
| 53 | A | 82.2 | Confident | 78.6 | Confident | 31 Ų | 31 | 76.5 Ų | 76.5 | 26% | 0.256 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 150.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R49 H50 N51 I55 | R49-A53 CarbonylContact C-O 3.57Å; R49-A53 WeakPolarHBondContact CA-O 3.48Å; H50-A53 PolarHBondContact N-O 3.48Å; H50-A53 PolarHBondContact O-N 3.24Å; N51-A53 VanDerWaalsContact C-N 3.26Å; N51-A53 PolarHBondContact O-N 2.83Å; A53-I55 HydrophobicContact CB-CG2 4.47Å; A53-I55 PolarHBondContact O-N 2.94Å |
| 54 | C | 84.7 | Confident | 78.6 | Confident | 15 Ų | 15 | 76.3 Ų | 76.3 | 10% | 0.101 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 105.2 | 166.2 | -68.8 | 0 | 0 | 0 | 0 | 108.5 | N29 G31 Y41 C43 F47 | N29-C54 WeakPolarHBondContact O-CB 3.06Å; N29-C54 PolarHBondContact O-N 3.24Å; G31-C54 WeakPolarHBondContact CA-SG 3.44Å; Y41-C54 WeakPolarHBondContact CE1-SG 3.27Å; Y41-C54 PolarHBondContact OH-SG 2.94Å; C43-C54 WeakPolarHBondContact CA-SG 3.43Å; C43-C54 HydrophobicContact CB-CB 3.85Å; C43-C54 WeakPolarHBondContact CB-SG 3.33Å; C43-C54 WeakPolarHBondContact SG-CA 3.39Å; C43-C54 WeakPolarHBondContact SG-CB 3.21Å; C43-C54 CovalentContact SG-SG 2.04Å; C43-C54 PolarHBondContact SG-SG 2.89Å; F47-C54 HydrophobicContact CB-CB 4.09Å; F47-C54 HydrophobicContact CD1-CB 4.46Å |
| 55 | I | 81.8 | Confident | 78.8 | Confident | 60 Ų | 60 | 77.5 Ų | 77.5 | 31% | 0.308 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 148.7 | 173.9 | 65.9 | 168.4 | 0 | 0 | 0 | 109.4 | F47 A48 H50 A53 I57 | F47-I55 CarbonylContact C-O 3.59Å; F47-I55 WeakPolarHBondContact CA-O 3.48Å; F47-I55 WeakPolarHBondContact CB-O 3.17Å; F47-I55 VanDerWaalsContact CD1-C 3.45Å; A48-I55 PolarHBondContact N-O 3.31Å; A48-I55 PolarHBondContact O-N 2.87Å; H50-I55 HydrophobicContact CB-CD1 3.35Å; H50-I55 HydrophobicContact CB-CG1 3.58Å; H50-I55 HydrophobicContact CB-CG2 4.34Å; A53-I55 HydrophobicContact CB-CG2 4.47Å; A53-I55 PolarHBondContact O-N 2.94Å; I55-I57 PolarHBondContact O-N 3.44Å |
| 56 | P | 77.2 | Confident | 79.1 | Confident | 71 Ų | 71 | 76 Ų | 76 | 46% | 0.461 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.2 | 134.5 | 175.5 | 23.4 | -32.7 | 0 | 0 | 0 | 110 | G46 F47 Q58 | G46-P56 CarbonylContact O-C 3.51Å; G46-P56 WeakPolarHBondContact O-CA 3.19Å; F47-P56 HydrophobicContact CD1-CB 4.27Å; F47-P56 HydrophobicContact CE1-CB 4.03Å; F47-P56 HydrophobicContact CE1-CG 4.48Å; F47-P56 HydrophobicContact CZ-CB 4.46Å; P56-Q58 VanDerWaalsContact C-N 3.32Å; P56-Q58 PolarHBondContact O-N 2.04Å |
| 57 | I | 70.9 | Confident | 79.6 | Confident | 43 Ų | 43 | 78.2 Ų | 78.2 | 22% | 0.221 | 41% | 0.414 | C | S | . | . | trans | -64.5 | 96.3 | 173.9 | -62.7 | 168.9 | 0 | 0 | 0 | 106.4 | G46 A48 I55 F59 M71 | G46-I57 PolarHBondContact O-N 2.99Å; A48-I57 HydrophobicContact CB-CD1 4.48Å; A48-I57 HydrophobicContact CB-CG1 3.79Å; I55-I57 PolarHBondContact O-N 3.44Å; I57-F59 HydrophobicContact CG2-CD1 4.13Å; I57-F59 HydrophobicContact CG2-CD2 4.32Å; I57-F59 HydrophobicContact CG2-CE1 3.83Å; I57-F59 HydrophobicContact CG2-CE2 4.03Å; I57-F59 HydrophobicContact CG2-CG 4.37Å; I57-F59 HydrophobicContact CG2-CZ 3.78Å; I57-F59 PolarHBondContact O-N 3.37Å; I57-M71 HydrophobicContact CG2-CB 4.05Å; I57-M71 HydrophobicContact CG2-CG 4.04Å | ||
| 58 | Q | 63.6 | Low | 79.7 | Confident | 149 Ų | 149 | 74.1 Ų | 74.1 | 70% | 0.696 | 40% | 0.397 | S | S | * | . | trans | -77.6 | 104.9 | 167.8 | -68.4 | -175.3 | 1.5 | 0 | 0 | 106.7 | P56 I60 | P56-Q58 VanDerWaalsContact C-N 3.32Å; P56-Q58 PolarHBondContact O-N 2.04Å; Q58-I60 VanDerWaalsContact C-N 3.32Å; Q58-I60 PolarHBondContact O-N 2.76Å | ||
| 59 | F | 67.4 | Low | 79.7 | Confident | 114 Ų | 114 | 79.3 Ų | 79.3 | 50% | 0.5 | 42% | 0.417 | S | S | . | . | trans | -65.1 | 96.8 | 170.4 | -66.4 | -76.7 | 0 | 0 | 0 | 108.4 | I57 Q61 M71 E73 | I57-F59 HydrophobicContact CG2-CD1 4.13Å; I57-F59 HydrophobicContact CG2-CD2 4.32Å; I57-F59 HydrophobicContact CG2-CE1 3.83Å; I57-F59 HydrophobicContact CG2-CE2 4.03Å; I57-F59 HydrophobicContact CG2-CG 4.37Å; I57-F59 HydrophobicContact CG2-CZ 3.78Å; I57-F59 PolarHBondContact O-N 3.37Å; F59-Q61 PolarHBondContact O-N 2.82Å; F59-Q61 VanDerWaalsContact O-N 3.1Å; F59-Q61 PolarHBondContact O-NE2 3.4Å; F59-M71 WeakPolarHBondContact CA-O 3.29Å; F59-E73 HydrophobicContact CB-CB 3.95Å; F59-E73 HydrophobicContact CD1-CB 4.11Å; F59-E73 HydrophobicContact CG-CB 4.36Å | ||
| 60 | I | 71.8 | Confident | 79.3 | Confident | 107 Ų | 107 | 77.1 Ų | 77.1 | 55% | 0.549 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 117.9 | 170.8 | -59.1 | 173.5 | 0 | 0 | 0 | 105.6 | Q58 A62 M71 T72 E73 | Q58-I60 VanDerWaalsContact C-N 3.32Å; Q58-I60 PolarHBondContact O-N 2.76Å; I60-A62 PolarHBondContact O-N 2.9Å; I60-M71 PolarHBondContact N-O 3.35Å; I60-T72 HydrophobicContact CB-CG2 4.25Å; I60-T72 WeakPolarHBondContact O-CA 3.3Å; I60-T72 WeakPolarHBondContact O-CG2 3.4Å; I60-E73 PolarHBondContact O-N 3.31Å |
| 61 | Q | 80.7 | Confident | 78.8 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 49% | 0.491 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 108.8 | 176.5 | -61.3 | -66.5 | -63.2 | 0 | 0 | 107.3 | F59 E73 T75 | F59-Q61 PolarHBondContact O-N 2.82Å; F59-Q61 VanDerWaalsContact O-N 3.1Å; F59-Q61 PolarHBondContact O-NE2 3.4Å; Q61-E73 PolarHBondContact NE2-OE2 3Å; Q61-T75 HydrophobicContact CB-CG2 3.83Å; Q61-T75 HydrophobicContact CG-CG2 4.24Å |
| 62 | A | 81 | Confident | 78.7 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.008 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 136 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I60 Q66 T72 E73 T75 C85 | I60-A62 PolarHBondContact O-N 2.9Å; A62-Q66 HydrophobicContact CB-CB 3.99Å; A62-T72 HydrophobicContact CB-CG2 3.31Å; A62-E73 PolarHBondContact N-O 3.15Å; A62-T75 PolarHBondContact O-N 3.37Å; A62-T75 PolarHBondContact O-OG1 2.82Å; A62-C85 WeakPolarHBondContact CB-SG 3.37Å |
| 63 | K | 85.4 | Confident | 78.8 | Confident | 121 Ų | 121 | 72.3 Ų | 72.3 | 53% | 0.526 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 157.8 | 171.7 | -71.8 | 179.3 | -179.5 | 179.1 | 0 | 110.4 | G65 Q66 | K63-G65 PolarHBondContact O-N 2.94Å; K63-Q66 WeakPolarHBondContact O-CB 3.44Å; K63-Q66 PolarHBondContact O-N 3.11Å |
| 64 | P | 84.9 | Confident | 78.9 | Confident | 21 Ų | 21 | 71.9 Ų | 71.9 | 14% | 0.136 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | 126.4 | 169.3 | -22.8 | 29.5 | 0 | 0 | 0 | 111.4 | A78 P93 G96 | P64-A78 HydrophobicContact CB-CB 4.28Å; P64-A78 HydrophobicContact CG-CB 3.98Å; P64-P93 HydrophobicContact CB-CB 3.55Å; P64-P93 HydrophobicContact CG-CB 4.33Å; P64-G96 VanDerWaalsContact CD-C 3.49Å; P64-G96 WeakPolarHBondContact CD-O 3.24Å |
| 65 | G | 84.6 | Confident | 78.9 | Confident | 61 Ų | 61 | 73 Ų | 73 | 63% | 0.629 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97 | -13.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K63 C85 | K63-G65 PolarHBondContact O-N 2.94Å; G65-C85 PolarHBondContact N-O 3.13Å |
| 66 | Q | 86 | Confident | 79.1 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 44% | 0.435 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -82.3 | 152.3 | 174.7 | -70.7 | -171.8 | -52.4 | 0 | 0 | 112 | A62 K63 C85 | A62-Q66 HydrophobicContact CB-CB 3.99Å; K63-Q66 WeakPolarHBondContact O-CB 3.44Å; K63-Q66 PolarHBondContact O-N 3.11Å; Q66-C85 PolarHBondContact O-N 3.06Å |
| 67 | P | 84.3 | Confident | 79.4 | Confident | 84 Ų | 84 | 70.4 Ų | 70.4 | 55% | 0.545 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -64.2 | 142.7 | 173.9 | 27.8 | -34.3 | 0 | 0 | 0 | 110.4 | G83 | P67-G83 CarbonylContact C-O 3.6Å; P67-G83 VanDerWaalsContact CA-O 3.29Å; P67-G83 WeakPolarHBondContact CA-O 3.4Å |
| 68 | C | 85.2 | Confident | 80.2 | Confident | 3 Ų | 3 | 68.9 Ų | 68.9 | 2% | 0.02 | 39% | 0.39 | C | S | . | . | trans | -124.1 | 140.2 | 174.4 | 53.5 | 0 | 0 | 0 | 0 | 111.2 | T72 C80 G83 I84 C85 | C68-T72 HydrophobicContact CB-CG2 3.83Å; C68-C80 HydrophobicContact CB-CB 3.87Å; C68-C80 WeakPolarHBondContact CB-SG 3.26Å; C68-C80 WeakPolarHBondContact SG-CA 3.42Å; C68-C80 WeakPolarHBondContact SG-CB 3.49Å; C68-C80 CovalentContact SG-SG 2.02Å; C68-C80 PolarHBondContact SG-SG 3.27Å; C68-G83 PolarHBondContact N-O 3.06Å; C68-G83 CarbonylContact O-C 3.56Å; C68-G83 WeakPolarHBondContact O-CA 3.16Å; C68-I84 VanDerWaalsContact SG-CA 3.57Å; C68-I84 PolarHBondContact SG-N 3.32Å; C68-C85 PolarHBondContact SG-N 2.7Å | ||
| 69 | H | 79.9 | Confident | 81.3 | Confident | 133 Ų | 133 | 65.2 Ų | 65.2 | 62% | 0.616 | 38% | 0.377 | S | S | * | . | trans | -119.4 | -179.7 | 175.1 | -63 | -65.9 | 0 | 0 | 0 | 110.1 | M71 T72 | H69-M71 PolarHBondContact O-N 3.41Å; H69-T72 VanDerWaalsContact N-CB 3.31Å; H69-T72 PolarHBondContact N-OG1 3.12Å; H69-T72 PolarHBondContact O-N 3.28Å | ||
| 70 | S | 73.1 | Confident | 82.2 | Confident | 128 Ų | 128 | 62.6 Ų | 62.6 | 90% | 0.895 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -15.9 | 174.7 | -42.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 71 | M | 71.1 | Confident | 83 | Confident | 61 Ų | 61 | 61.1 Ų | 61.1 | 30% | 0.3 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | 21.3 | 177.1 | -53.7 | -175.7 | -72.8 | 0 | 0 | 112.2 | A48 I57 F59 I60 H69 | A48-M71 HydrophobicContact CB-CG 4.27Å; A48-M71 HydrophobicContact CB-SD 3.6Å; A48-M71 VanDerWaalsContact CB-SD 3.6Å; I57-M71 HydrophobicContact CG2-CB 4.05Å; I57-M71 HydrophobicContact CG2-CG 4.04Å; F59-M71 WeakPolarHBondContact CA-O 3.29Å; I60-M71 PolarHBondContact N-O 3.35Å; H69-M71 PolarHBondContact O-N 3.41Å |
| 72 | T | 77.2 | Confident | 83.3 | Confident | 18 Ų | 18 | 60 Ų | 60 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 126.7 | 180 | -49.6 | 0 | 0 | 0 | 0 | 109.6 | I60 A62 C68 H69 | I60-T72 HydrophobicContact CB-CG2 4.25Å; I60-T72 WeakPolarHBondContact O-CA 3.3Å; I60-T72 WeakPolarHBondContact O-CG2 3.4Å; A62-T72 HydrophobicContact CB-CG2 3.31Å; C68-T72 HydrophobicContact CB-CG2 3.83Å; H69-T72 VanDerWaalsContact N-CB 3.31Å; H69-T72 PolarHBondContact N-OG1 3.12Å; H69-T72 PolarHBondContact O-N 3.28Å |
| 73 | E | 82.2 | Confident | 83.6 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 46% | 0.463 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 120.9 | 175.1 | -173.4 | 175.8 | -155.7 | 0 | 0 | 108.8 | F59 I60 Q61 A62 T75 | F59-E73 HydrophobicContact CB-CB 3.95Å; F59-E73 HydrophobicContact CD1-CB 4.11Å; F59-E73 HydrophobicContact CG-CB 4.36Å; I60-E73 PolarHBondContact O-N 3.31Å; Q61-E73 PolarHBondContact NE2-OE2 3Å; A62-E73 PolarHBondContact N-O 3.15Å; E73-T75 PolarHBondContact O-N 2.82Å |
| 74 | C | 84.4 | Confident | 83.8 | Confident | 23 Ų | 23 | 59 Ų | 59 | 16% | 0.155 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 117.8 | 177.7 | -63.3 | 0 | 0 | 0 | 0 | 109.5 | A78 C85 | C74-A78 HydrophobicContact CB-CB 4Å; C74-A78 VanDerWaalsContact CB-O 3.27Å; C74-A78 WeakPolarHBondContact CB-O 3.41Å; C74-C85 VanDerWaalsContact CA-SG 3.51Å; C74-C85 HydrophobicContact CB-CB 3.79Å; C74-C85 WeakPolarHBondContact CB-SG 3.36Å; C74-C85 WeakPolarHBondContact SG-CA 3.35Å; C74-C85 WeakPolarHBondContact SG-CB 3.49Å; C74-C85 CovalentContact SG-SG 2.03Å; C74-C85 PolarHBondContact SG-SG 2.8Å |
| 75 | T | 85.1 | Confident | 84.1 | Confident | 38 Ų | 38 | 58 Ų | 58 | 23% | 0.233 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -88.4 | 161.8 | 177.8 | 54.7 | 0 | 0 | 0 | 0 | 112.1 | Q61 A62 E73 | Q61-T75 HydrophobicContact CB-CG2 3.83Å; Q61-T75 HydrophobicContact CG-CG2 4.24Å; A62-T75 PolarHBondContact O-N 3.37Å; A62-T75 PolarHBondContact O-OG1 2.82Å; E73-T75 PolarHBondContact O-N 2.82Å |
| 76 | G | 84.4 | Confident | 84.3 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 28% | 0.278 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 27.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A78 C98 | G76-A78 VanDerWaalsContact C-N 3.29Å; G76-A78 PolarHBondContact O-N 3.41Å; G76-C98 VanDerWaalsContact O-CB 3.31Å; G76-C98 WeakPolarHBondContact O-CB 3.4Å; G76-C98 PolarHBondContact O-N 3.01Å; G76-C98 PolarHBondContact O-SG 3.37Å |
| 77 | G | 83.7 | Confident | 84.5 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 51% | 0.505 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 18.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L88 | G77-L88 WeakPolarHBondContact O-CD1 3.44Š|
| 78 | A | 88.2 | Confident | 84.5 | Confident | 11 Ų | 11 | 58.8 Ų | 58.8 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 155.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P64 C74 G76 C85 R86 | P64-A78 HydrophobicContact CB-CB 4.28Å; P64-A78 HydrophobicContact CG-CB 3.98Å; C74-A78 HydrophobicContact CB-CB 4Å; C74-A78 VanDerWaalsContact CB-O 3.27Å; C74-A78 WeakPolarHBondContact CB-O 3.41Å; G76-A78 VanDerWaalsContact C-N 3.29Å; G76-A78 PolarHBondContact O-N 3.41Å; A78-C85 HydrophobicContact CB-CB 4.17Å; A78-R86 CarbonylContact C-O 3.51Å; A78-R86 WeakPolarHBondContact CA-O 3.3Å |
| 79 | V | 87.5 | Confident | 84.4 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 44% | 0.436 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.8 | 177 | -161.3 | 0 | 0 | 0 | 0 | 108.6 | V81 R86 L88 | V79-V81 HydrophobicContact CB-CG2 4.28Å; V79-V81 HydrophobicContact CG1-CG2 4.49Å; V79-V81 PolarHBondContact O-N 3.14Å; V79-V81 VanDerWaalsContact O-N 3.16Å; V79-R86 PolarHBondContact N-O 2.81Å; V79-R86 PolarHBondContact O-N 3.33Å; V79-L88 HydrophobicContact CG2-CD1 3.35Å; V79-L88 HydrophobicContact CG2-CG 3.91Å |
| 80 | C | 86.3 | Confident | 84.6 | Confident | 59 Ų | 59 | 60.1 Ų | 60.1 | 40% | 0.399 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 108.1 | 175.4 | -172.9 | 0 | 0 | 0 | 0 | 109.6 | C68 | C68-C80 HydrophobicContact CB-CB 3.87Å; C68-C80 WeakPolarHBondContact CB-SG 3.26Å; C68-C80 WeakPolarHBondContact SG-CA 3.42Å; C68-C80 WeakPolarHBondContact SG-CB 3.49Å; C68-C80 CovalentContact SG-SG 2.02Å; C68-C80 PolarHBondContact SG-SG 3.27Å |
| 81 | V | 88.5 | Confident | 85.2 | Confident | 76 Ų | 76 | 56.5 Ų | 56.5 | 46% | 0.461 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 113.6 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | V79 G83 I84 | V79-V81 HydrophobicContact CB-CG2 4.28Å; V79-V81 HydrophobicContact CG1-CG2 4.49Å; V79-V81 PolarHBondContact O-N 3.14Å; V79-V81 VanDerWaalsContact O-N 3.16Å; V81-G83 VanDerWaalsContact C-N 3.33Å; V81-G83 PolarHBondContact O-N 2.95Å; V81-I84 PolarHBondContact N-O 3Å; V81-I84 PolarHBondContact O-N 2.88Å |
| 82 | G | 87.3 | Confident | 85.8 | Confident | 82 Ų | 82 | 58.9 Ų | 58.9 | 85% | 0.845 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67 | 31.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | I84 | G82-I84 VanDerWaalsContact C-N 3.31Å; G82-I84 PolarHBondContact O-N 3.25Å |
| 83 | G | 86.9 | Confident | 86.2 | Confident | 34 Ų | 34 | 62.1 Ų | 62.1 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 14.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P67 C68 V81 | P67-G83 CarbonylContact C-O 3.6Å; P67-G83 VanDerWaalsContact CA-O 3.29Å; P67-G83 WeakPolarHBondContact CA-O 3.4Å; C68-G83 PolarHBondContact N-O 3.06Å; C68-G83 CarbonylContact O-C 3.56Å; C68-G83 WeakPolarHBondContact O-CA 3.16Å; V81-G83 VanDerWaalsContact C-N 3.33Å; V81-G83 PolarHBondContact O-N 2.95Å |
| 84 | I | 89.1 | Confident | 86.3 | Confident | 67 Ų | 67 | 59.7 Ų | 59.7 | 34% | 0.344 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 136.1 | 174.4 | -57.1 | 175.3 | 0 | 0 | 0 | 109.4 | C68 V81 G82 R86 | C68-I84 VanDerWaalsContact SG-CA 3.57Å; C68-I84 PolarHBondContact SG-N 3.32Å; V81-I84 PolarHBondContact N-O 3Å; V81-I84 PolarHBondContact O-N 2.88Å; G82-I84 VanDerWaalsContact C-N 3.31Å; G82-I84 PolarHBondContact O-N 3.25Å; I84-R86 HydrophobicContact CG2-CG 4.45Å; I84-R86 PolarHBondContact O-N 2.75Å |
| 85 | C | 90.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 113.4 | 173.4 | -69.2 | 0 | 0 | 0 | 0 | 110.1 | A62 G65 Q66 C68 C74 A78 | A62-C85 WeakPolarHBondContact CB-SG 3.37Å; G65-C85 PolarHBondContact N-O 3.13Å; Q66-C85 PolarHBondContact O-N 3.06Å; C68-C85 PolarHBondContact SG-N 2.7Å; C74-C85 VanDerWaalsContact CA-SG 3.51Å; C74-C85 HydrophobicContact CB-CB 3.79Å; C74-C85 WeakPolarHBondContact CB-SG 3.36Å; C74-C85 WeakPolarHBondContact SG-CA 3.35Å; C74-C85 WeakPolarHBondContact SG-CB 3.49Å; C74-C85 CovalentContact SG-SG 2.03Å; C74-C85 PolarHBondContact SG-SG 2.8Å; A78-C85 HydrophobicContact CB-CB 4.17Å |
| 86 | R | 89.7 | Confident | 86.1 | Confident | 147 Ų | 147 | 66.8 Ų | 66.8 | 56% | 0.555 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 142.5 | 179.5 | -71.1 | -175.4 | 167.2 | -174.5 | -2.7 | 110.7 | A78 V79 I84 | A78-R86 CarbonylContact C-O 3.51Å; A78-R86 WeakPolarHBondContact CA-O 3.3Å; V79-R86 PolarHBondContact N-O 2.81Å; V79-R86 PolarHBondContact O-N 3.33Å; I84-R86 HydrophobicContact CG2-CG 4.45Å; I84-R86 PolarHBondContact O-N 2.75Å |
| 87 | C | 89.6 | Confident | 86.2 | Confident | 24 Ų | 24 | 69 Ų | 69 | 16% | 0.162 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 152.2 | 172.2 | -64.7 | 0 | 0 | 0 | 0 | 111.1 | L91 C98 | C87-L91 HydrophobicContact CB-CB 4Å; C87-L91 WeakPolarHBondContact CB-O 3.43Å; C87-C98 WeakPolarHBondContact CA-SG 3.01Å; C87-C98 HydrophobicContact CB-CB 3.69Å; C87-C98 WeakPolarHBondContact CB-SG 3.31Å; C87-C98 VanDerWaalsContact SG-CA 3.51Å; C87-C98 WeakPolarHBondContact SG-CB 3.4Å; C87-C98 CovalentContact SG-SG 2.03Å; C87-C98 PolarHBondContact SG-SG 2.81Å |
| 88 | L | 85.8 | Confident | 86.3 | Confident | 84 Ų | 84 | 67.3 Ų | 67.3 | 44% | 0.44 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -58 | 154.8 | 172.6 | -81.2 | 84.6 | 0 | 0 | 0 | 110.6 | G77 V79 G90 L91 | G77-L88 WeakPolarHBondContact O-CD1 3.44Å; V79-L88 HydrophobicContact CG2-CD1 3.35Å; V79-L88 HydrophobicContact CG2-CG 3.91Å; L88-G90 PolarHBondContact O-N 3.33Å; L88-L91 HydrophobicContact CB-CD1 3.95Å; L88-L91 PolarHBondContact O-N 2.87Å |
| 89 | P | 82.9 | Confident | 86.3 | Confident | 131 Ų | 131 | 70.7 Ų | 70.7 | 85% | 0.851 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 125.9 | 175.8 | -22.8 | 32.2 | 0 | 0 | 0 | 111 | ||
| 90 | G | 82.5 | Confident | 86.1 | Confident | 32 Ų | 32 | 73.4 Ų | 73.4 | 33% | 0.33 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -0.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L88 P101 | L88-G90 PolarHBondContact O-N 3.33Å; G90-P101 WeakPolarHBondContact O-CD 3.08Å |
| 91 | L | 86.4 | Confident | 85.5 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | trans | -113.3 | 148.5 | 170.3 | -68.6 | 90.7 | 0 | 0 | 0 | 111.1 | C87 L88 C98 I99 L100 | C87-L91 HydrophobicContact CB-CB 4Å; C87-L91 WeakPolarHBondContact CB-O 3.43Å; L88-L91 HydrophobicContact CB-CD1 3.95Å; L88-L91 PolarHBondContact O-N 2.87Å; L91-C98 HydrophobicContact CB-CB 3.97Å; L91-C98 HydrophobicContact CD2-CB 3.89Å; L91-I99 CarbonylContact C-O 3.58Å; L91-I99 WeakPolarHBondContact CA-O 3.32Å; L91-L100 HydrophobicContact CD1-CD2 4.34Å; L91-L100 HydrophobicContact CG-CD2 4.07Å; L91-L100 HydrophobicContact CG-CG 4.45Å | ||
| 92 | F | 84.9 | Confident | 84.7 | Confident | 110 Ų | 110 | 70.9 Ų | 70.9 | 48% | 0.482 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.2 | -177.6 | -60.4 | -99.2 | 0 | 0 | 0 | 109.3 | S94 I99 P101 | F92-S94 PolarHBondContact O-N 3.41Å; F92-I99 PolarHBondContact N-O 2.89Å; F92-I99 PolarHBondContact O-N 2.86Å; F92-P101 HydrophobicContact CD2-CB 3.56Å; F92-P101 VanDerWaalsContact CD2-CD 3.49Å; F92-P101 HydrophobicContact CD2-CG 3.82Å; F92-P101 HydrophobicContact CE2-CB 3.31Å; F92-P101 VanDerWaalsContact CE2-CD 3.45Å; F92-P101 HydrophobicContact CE2-CG 3.32Å; F92-P101 HydrophobicContact CZ-CB 4.14Å; F92-P101 HydrophobicContact CZ-CG 4.31Å |
| 93 | P | 83.9 | Confident | 83.7 | Confident | 86 Ų | 86 | 70.9 Ų | 70.9 | 56% | 0.558 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 116.9 | 177.9 | 29.2 | -34.2 | 0 | 0 | 0 | 110.3 | P64 | P64-P93 HydrophobicContact CB-CB 3.55Å; P64-P93 HydrophobicContact CG-CB 4.33Å |
| 94 | S | 85.9 | Confident | 82.6 | Confident | 48 Ų | 48 | 78.1 Ų | 78.1 | 34% | 0.336 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 125.4 | 176.3 | -171.1 | 0 | 0 | 0 | 0 | 110.8 | F92 G96 V97 | F92-S94 PolarHBondContact O-N 3.41Å; S94-G96 PolarHBondContact O-N 3.16Å; S94-V97 CarbonylContact C-O 3.55Å; S94-V97 PolarHBondContact N-O 2.93Å; S94-V97 CarbonylContact O-C 3.45Å; S94-V97 PolarHBondContact O-N 3.04Å |
| 95 | Q | 82.9 | Confident | 81.2 | Confident | 194 Ų | 194 | 81.7 Ų | 81.7 | 91% | 0.907 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 25.1 | -178.1 | -58 | -170.3 | -5.2 | 0 | 0 | 115.3 | ||
| 96 | G | 81.5 | Confident | 79.7 | Confident | 17 Ų | 17 | 89.5 Ų | 89.5 | 18% | 0.175 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 10.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | P64 S94 | P64-G96 VanDerWaalsContact CD-C 3.49Å; P64-G96 WeakPolarHBondContact CD-O 3.24Å; S94-G96 PolarHBondContact O-N 3.16Å |
| 97 | V | 86 | Confident | 77.7 | Confident | 73 Ų | 73 | 89.2 Ų | 89.2 | 44% | 0.442 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.7 | 174.8 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | S94 I99 | S94-V97 CarbonylContact C-O 3.55Å; S94-V97 PolarHBondContact N-O 2.93Å; S94-V97 CarbonylContact O-C 3.45Å; S94-V97 PolarHBondContact O-N 3.04Å; V97-I99 PolarHBondContact O-N 3.08Å |
| 98 | C | 87 | Confident | 77.1 | Confident | 13 Ų | 13 | 92.5 Ų | 92.5 | 9% | 0.088 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 116.7 | 175.3 | -61.8 | 0 | 0 | 0 | 0 | 109.4 | G76 C87 L91 | G76-C98 VanDerWaalsContact O-CB 3.31Å; G76-C98 WeakPolarHBondContact O-CB 3.4Å; G76-C98 PolarHBondContact O-N 3.01Å; G76-C98 PolarHBondContact O-SG 3.37Å; C87-C98 WeakPolarHBondContact CA-SG 3.01Å; C87-C98 HydrophobicContact CB-CB 3.69Å; C87-C98 WeakPolarHBondContact CB-SG 3.31Å; C87-C98 VanDerWaalsContact SG-CA 3.51Å; C87-C98 WeakPolarHBondContact SG-CB 3.4Å; C87-C98 CovalentContact SG-SG 2.03Å; C87-C98 PolarHBondContact SG-SG 2.81Å; L91-C98 HydrophobicContact CB-CB 3.97Å; L91-C98 HydrophobicContact CD2-CB 3.89Å |
| 99 | I | 88.1 | Confident | 76.6 | Confident | 82 Ų | 82 | 92.9 Ų | 92.9 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 151.2 | 177 | 65.4 | 170.9 | 0 | 0 | 0 | 110.4 | L91 F92 V97 | L91-I99 CarbonylContact C-O 3.58Å; L91-I99 WeakPolarHBondContact CA-O 3.32Å; F92-I99 PolarHBondContact N-O 2.89Å; F92-I99 PolarHBondContact O-N 2.86Å; V97-I99 PolarHBondContact O-N 3.08Å |
| 100 | L | 82.4 | Confident | 76.3 | Confident | 129 Ų | 129 | 90.8 Ų | 90.8 | 68% | 0.675 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 140.5 | 172.7 | -72.1 | 163.3 | 0 | 0 | 0 | 109.6 | L91 | L91-L100 HydrophobicContact CD1-CD2 4.34Å; L91-L100 HydrophobicContact CG-CD2 4.07Å; L91-L100 HydrophobicContact CG-CG 4.45Å |
| 101 | P | 75.2 | Confident | 75.9 | Confident | 19 Ų | 19 | 94.3 Ų | 94.3 | 12% | 0.123 | 54% | 0.536 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 146.6 | 169.2 | 30.6 | -34.9 | 0 | 0 | 0 | 107.6 | G90 F92 A103 Y106 | G90-P101 WeakPolarHBondContact O-CD 3.08Å; F92-P101 HydrophobicContact CD2-CB 3.56Å; F92-P101 VanDerWaalsContact CD2-CD 3.49Å; F92-P101 HydrophobicContact CD2-CG 3.82Å; F92-P101 HydrophobicContact CE2-CB 3.31Å; F92-P101 VanDerWaalsContact CE2-CD 3.45Å; F92-P101 HydrophobicContact CE2-CG 3.32Å; F92-P101 HydrophobicContact CZ-CB 4.14Å; F92-P101 HydrophobicContact CZ-CG 4.31Å; P101-A103 PolarHBondContact O-N 3.05Å; P101-Y106 HydrophobicContact CG-CE2 3.86Å |
| 102 | P | 70.5 | Confident | 75.3 | Confident | 64 Ų | 64 | 96.9 Ų | 96.9 | 42% | 0.416 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 128.9 | 171.3 | 29.6 | -34.5 | 0 | 0 | 0 | 108.8 | Y104 M105 | P102-Y104 HydrophobicContact CB-CD1 3.5Å; P102-Y104 VanDerWaalsContact CB-CD1 3.5Å; P102-Y104 HydrophobicContact CB-CE1 3.23Å; P102-Y104 HydrophobicContact CG-CD1 3.91Å; P102-Y104 HydrophobicContact CG-CE1 3.23Å; P102-Y104 HydrophobicContact CG-CE2 4.44Å; P102-Y104 PolarHBondContact O-N 2.92Å; P102-M105 PolarHBondContact O-N 2.98Å |
| 103 | A | 65.8 | Low | 74.6 | Confident | 82 Ų | 82 | 96 Ų | 96 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -58.3 | -13.7 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | P101 M105 Y106 | P101-A103 PolarHBondContact O-N 3.05Å; A103-M105 PolarHBondContact O-N 2.76Å; A103-Y106 PolarHBondContact O-N 2.84Å |
| 104 | Y | 64.9 | Low | 74 | Confident | 186 Ų | 186 | 96.7 Ų | 96.7 | 73% | 0.729 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -68.1 | -9.3 | 178.5 | 70.9 | -107 | 0 | 0 | 0 | 114.5 | P102 | P102-Y104 HydrophobicContact CB-CD1 3.5Å; P102-Y104 VanDerWaalsContact CB-CD1 3.5Å; P102-Y104 HydrophobicContact CB-CE1 3.23Å; P102-Y104 HydrophobicContact CG-CD1 3.91Å; P102-Y104 HydrophobicContact CG-CE1 3.23Å; P102-Y104 HydrophobicContact CG-CE2 4.44Å; P102-Y104 PolarHBondContact O-N 2.92Å |
| 105 | M | 58.6 | Low | 73 | Confident | 142 Ų | 142 | 100.5 Ų | 100.5 | 70% | 0.7 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -88.6 | -8.2 | 175.2 | -58.9 | -167 | 91.6 | 0 | 0 | 113.7 | P102 A103 G107 | P102-M105 PolarHBondContact O-N 2.98Å; A103-M105 PolarHBondContact O-N 2.76Å; M105-G107 PolarHBondContact O-N 3.37Å |
| 106 | Y | 59.1 | Low | 72.2 | Confident | 164 Ų | 164 | 92.7 Ų | 92.7 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | trans | -90.1 | 65.8 | 166.3 | -61.8 | -81.9 | 0 | 0 | 0 | 108.3 | P101 A103 | P101-Y106 HydrophobicContact CG-CE2 3.86Å; A103-Y106 PolarHBondContact O-N 2.84Å | ||
| 107 | G | 47.5 | Very low | 71.4 | Confident | 141 Ų | 141 | 99.5 Ų | 99.5 | 100% | 1.454 | 58% | 0.579 | S | S | * | * | trans | -72.3 | 0 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | M105 | M105-G107 PolarHBondContact O-N 3.37Š|
Retrieved 107 of 107 residues in 258.5 ms
(Link to these results)