| 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 | 68.1 | Low | 73.1 | Confident | 188 Ų | 188 | 89.5 Ų | 89.5 | 93% | 0.926 | 47% | 0.467 | S | S | * | . | 0 | 140.4 | 0 | -68.2 | -177 | -171.2 | 0 | 0 | 107.1 | Y28 | M1-Y28 WeakPolarHBondContact CE-OH 3.48Š| |||
| 2 | E | 70.6 | Confident | 73.2 | Confident | 129 Ų | 129 | 90.7 Ų | 90.7 | 60% | 0.603 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 136 | -179 | -164.1 | 176.4 | 169.9 | 0 | 0 | 108.9 | I4 I9 | E2-I4 HydrophobicContact CG-CG1 4.17Å; E2-I9 PolarHBondContact N-O 3.32Å; E2-I9 VanDerWaalsContact N-O 3.08Å; E2-I9 PolarHBondContact O-N 3.16Å |
| 3 | K | 66.2 | Low | 73.1 | Confident | 151 Ų | 151 | 95.2 Ų | 95.2 | 66% | 0.657 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 117.1 | 174.5 | -175.7 | -178.8 | 177.6 | -177.2 | 0 | 108 | G5 Y7 | K3-G5 VanDerWaalsContact CE-O 3.25Å; K3-G5 WeakPolarHBondContact CE-O 3.25Å; K3-Y7 WeakPolarHBondContact CA-O 3.42Å |
| 4 | I | 70.5 | Confident | 72.9 | Confident | 91 Ų | 91 | 94.2 Ų | 94.2 | 47% | 0.467 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 105.5 | 176.8 | -58.7 | -180 | 0 | 0 | 0 | 107.7 | E2 D6 Y7 I9 | E2-I4 HydrophobicContact CG-CG1 4.17Å; I4-D6 PolarHBondContact O-N 3.41Å; I4-Y7 PolarHBondContact N-O 2.96Å; I4-Y7 WeakPolarHBondContact O-CB 3.49Å; I4-Y7 PolarHBondContact O-N 3.41Å; I4-Y7 VanDerWaalsContact O-N 3.16Å; I4-I9 HydrophobicContact CD1-CD1 4.07Å |
| 5 | G | 77.1 | Confident | 72.6 | Confident | 55 Ų | 55 | 97.7 Ų | 97.7 | 57% | 0.567 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.5 | -129.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K3 Y7 | K3-G5 VanDerWaalsContact CE-O 3.25Å; K3-G5 WeakPolarHBondContact CE-O 3.25Å; G5-Y7 PolarHBondContact O-N 2.94Å |
| 6 | D | 75.6 | Confident | 72.2 | Confident | 114 Ų | 114 | 93.6 Ų | 93.6 | 61% | 0.61 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 8.4 | 178.8 | -54.7 | -43.6 | 0 | 0 | 0 | 113.7 | I4 | I4-D6 PolarHBondContact O-N 3.41Š|
| 7 | Y | 71.2 | Confident | 71.9 | Confident | 81 Ų | 81 | 98.1 Ų | 98.1 | 32% | 0.318 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137.3 | -175.8 | -57.4 | -84.8 | 0 | 0 | 0 | 111.6 | K3 I4 G5 K29 I30 | K3-Y7 WeakPolarHBondContact CA-O 3.42Å; I4-Y7 PolarHBondContact N-O 2.96Å; I4-Y7 WeakPolarHBondContact O-CB 3.49Å; I4-Y7 PolarHBondContact O-N 3.41Å; I4-Y7 VanDerWaalsContact O-N 3.16Å; G5-Y7 PolarHBondContact O-N 2.94Å; Y7-K29 HydrophobicContact CD1-CD 4.13Å; Y7-K29 HydrophobicContact CD1-CG 3.87Å; Y7-K29 HydrophobicContact CG-CD 4.47Å; Y7-K29 HydrophobicContact CG-CG 4.33Å; Y7-I30 CarbonylContact C-O 3.55Å; Y7-I30 VanDerWaalsContact CA-O 3.28Å; Y7-I30 WeakPolarHBondContact CA-O 3.47Å |
| 8 | I | 73.9 | Confident | 71.5 | Confident | 40 Ų | 40 | 100.9 Ų | 100.9 | 21% | 0.205 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.2 | 162.4 | -64.3 | 175.2 | 0 | 0 | 0 | 107.6 | I30 Y32 | I8-I30 PolarHBondContact N-O 3.12Å; I8-I30 PolarHBondContact O-N 2.84Å; I8-Y32 HydrophobicContact CD1-CE2 3.63Å; I8-Y32 WeakPolarHBondContact CD1-OH 3.28Å; I8-Y32 HydrophobicContact CG1-CE2 4.02Å |
| 9 | I | 77.5 | Confident | 70.9 | Confident | 62 Ų | 62 | 101.9 Ų | 101.9 | 32% | 0.318 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.3 | 175.3 | -53.7 | -175.8 | 0 | 0 | 0 | 108.6 | E2 I4 K29 | E2-I9 PolarHBondContact N-O 3.32Å; E2-I9 VanDerWaalsContact N-O 3.08Å; E2-I9 PolarHBondContact O-N 3.16Å; I4-I9 HydrophobicContact CD1-CD1 4.07Å; I9-K29 HydrophobicContact CG1-CG 4.35Å |
| 10 | G | 76.3 | Confident | 70.3 | Confident | 3 Ų | 3 | 99.3 Ų | 99.3 | 3% | 0.031 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 146.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S27 Y28 | G10-S27 WeakPolarHBondContact O-CA 3.32Å; G10-Y28 PolarHBondContact N-O 3.38Å; G10-Y28 VanDerWaalsContact N-O 3.11Å; G10-Y28 PolarHBondContact O-N 2.69Å |
| 11 | T | 77.3 | Confident | 69.7 | Low | 71 Ų | 71 | 101.1 Ų | 101.1 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.4 | 169.6 | -52.2 | 0 | 0 | 0 | 0 | 107.9 | Y13 I26 | T11-Y13 HydrophobicContact CG2-CE2 4.21Å; T11-I26 CarbonylContact C-O 3.52Å; T11-I26 WeakPolarHBondContact CA-O 3.33Å |
| 12 | M | 74.6 | Confident | 69.3 | Low | 103 Ų | 103 | 92.4 Ų | 92.4 | 51% | 0.507 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.1 | 172.4 | -74.4 | 175.8 | 64.2 | 0 | 0 | 109.7 | I26 Y28 | M12-I26 HydrophobicContact CB-CB 4.48Å; M12-I26 PolarHBondContact N-O 3.04Å; M12-I26 PolarHBondContact O-N 3.42Å; M12-Y28 HydrophobicContact CG-CE1 4.02Å; M12-Y28 HydrophobicContact SD-CE1 3.92Å |
| 13 | Y | 72.1 | Confident | 69 | Low | 149 Ų | 149 | 88.6 Ų | 88.6 | 58% | 0.584 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 119.9 | 176.8 | -58.2 | -102.4 | 0 | 0 | 0 | 107.4 | T11 F25 | T11-Y13 HydrophobicContact CG2-CE2 4.21Å; Y13-F25 AromaticContact CD1-CD1 3.34Å; Y13-F25 HydrophobicContact CD1-CD1 3.34Å; Y13-F25 AromaticContact CD1-CE1 3.29Å; Y13-F25 HydrophobicContact CD1-CE1 3.29Å; Y13-F25 AromaticContact CE1-CD1 3.38Å; Y13-F25 HydrophobicContact CE1-CD1 3.38Å; Y13-F25 AromaticContact CE1-CE1 3.28Å; Y13-F25 HydrophobicContact CE1-CE1 3.28Å; Y13-F25 HydrophobicContact CG-CD1 4.34Å |
| 14 | L | 69.9 | Low | 69 | Low | 82 Ų | 82 | 84 Ų | 84 | 43% | 0.429 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 116.6 | 165.8 | -74 | 94.9 | 0 | 0 | 0 | 108 | Y24 I26 | L14-Y24 HydrophobicContact CB-CD2 4.49Å; L14-Y24 PolarHBondContact N-O 2.9Å; L14-Y24 PolarHBondContact O-N 2.9Å; L14-I26 HydrophobicContact CD1-CD1 3.42Å; L14-I26 VanDerWaalsContact CD1-CD1 3.42Å; L14-I26 HydrophobicContact CD1-CG1 3.63Å |
| 15 | M | 68.2 | Low | 68.9 | Low | 146 Ų | 146 | 82.4 Ų | 82.4 | 72% | 0.719 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 121.8 | 170.6 | -59.6 | -176.4 | -150 | 0 | 0 | 107.8 | ||
| 16 | D | 66.6 | Low | 68.6 | Low | 32 Ų | 32 | 81.9 Ų | 81.9 | 17% | 0.171 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 120.8 | 168 | 179.4 | 4.8 | 0 | 0 | 0 | 109.3 | R18 S22 Y24 | D16-R18 VanDerWaalsContact CG-NE 3.31Å; D16-R18 PolarHBondContact O-N 2.8Å; D16-R18 WeakPolarHBondContact OD1-CB 3.14Å; D16-R18 VanDerWaalsContact OD1-CG 3.27Å; D16-R18 WeakPolarHBondContact OD1-CG 3.15Å; D16-R18 PolarHBondContact OD1-N 3.08Å; D16-R18 VanDerWaalsContact OD1-N 3.07Å; D16-R18 IonicContact OD1-NE 3.11Å; D16-R18 PolarHBondContact OD1-NE 2.94Å; D16-R18 VanDerWaalsContact OD1-NE 3.11Å; D16-R18 IonicContact OD2-CZ 3.07Å; D16-R18 IonicContact OD2-NE 2.73Å; D16-R18 PolarHBondContact OD2-NE 3.06Å; D16-R18 IonicContact OD2-NH2 2.64Å; D16-R18 PolarHBondContact OD2-NH2 3.45Å; D16-S22 PolarHBondContact N-O 2.86Å; D16-Y24 HydrophobicContact CB-CE2 3.98Å |
| 17 | L | 66 | Low | 68.3 | Low | 171 Ų | 171 | 78.3 Ų | 78.3 | 90% | 0.895 | 39% | 0.39 | S | S | * | . | trans | -71.7 | -4.6 | -177.9 | -67.3 | 171.1 | 0 | 0 | 0 | 113.2 | ||||
| 18 | R | 65.3 | Low | 68.3 | Low | 149 Ų | 149 | 76.1 Ų | 76.1 | 56% | 0.562 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -64.7 | 150.8 | 173.3 | -68.1 | 179.8 | -63.8 | 176.6 | 3.2 | 109.9 | D16 T20 H21 | D16-R18 VanDerWaalsContact CG-NE 3.31Å; D16-R18 PolarHBondContact O-N 2.8Å; D16-R18 WeakPolarHBondContact OD1-CB 3.14Å; D16-R18 VanDerWaalsContact OD1-CG 3.27Å; D16-R18 WeakPolarHBondContact OD1-CG 3.15Å; D16-R18 PolarHBondContact OD1-N 3.08Å; D16-R18 VanDerWaalsContact OD1-N 3.07Å; D16-R18 IonicContact OD1-NE 3.11Å; D16-R18 PolarHBondContact OD1-NE 2.94Å; D16-R18 VanDerWaalsContact OD1-NE 3.11Å; D16-R18 IonicContact OD2-CZ 3.07Å; D16-R18 IonicContact OD2-NE 2.73Å; D16-R18 PolarHBondContact OD2-NE 3.06Å; D16-R18 IonicContact OD2-NH2 2.64Å; D16-R18 PolarHBondContact OD2-NH2 3.45Å; R18-T20 PolarHBondContact O-N 3.11Å; R18-H21 PolarHBondContact O-N 3.11Å |
| 19 | P | 59.4 | Low | 68.2 | Low | 120 Ų | 120 | 79 Ų | 79 | 78% | 0.779 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -15.6 | -178.1 | -23.7 | 32.8 | 0 | 0 | 0 | 114.1 | H21 | P19-H21 PolarHBondContact O-N 2.93Å; P19-H21 PolarHBondContact O-ND1 3.01Å |
| 20 | T | 59.8 | Low | 67.8 | Low | 48 Ų | 48 | 79.3 Ų | 79.3 | 29% | 0.294 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -9.5 | 177.9 | 57.2 | 0 | 0 | 0 | 0 | 114.3 | R18 S22 K46 | R18-T20 PolarHBondContact O-N 3.11Å; T20-S22 VanDerWaalsContact C-N 3.27Å; T20-S22 PolarHBondContact O-N 2.81Å; T20-S22 VanDerWaalsContact O-N 3.14Å; T20-K46 VanDerWaalsContact CA-NZ 3.35Å; T20-K46 HydrophobicContact CG2-CD 4.16Å; T20-K46 VanDerWaalsContact O-CE 3.29Å; T20-K46 WeakPolarHBondContact O-CE 3.4Å |
| 21 | H | 57 | Low | 67.6 | Low | 139 Ų | 139 | 79.8 Ų | 79.8 | 64% | 0.644 | 40% | 0.396 | S | S | * | . | trans | 36.4 | 55.7 | 175.5 | -61.9 | 98.5 | 0 | 0 | 0 | 113.1 | R18 P19 V23 | R18-H21 PolarHBondContact O-N 3.11Å; P19-H21 PolarHBondContact O-N 2.93Å; P19-H21 PolarHBondContact O-ND1 3.01Å; H21-V23 PolarHBondContact O-N 2.88Å | ||
| 22 | S | 61.1 | Low | 67 | Low | 4 Ų | 4 | 84.8 Ų | 84.8 | 3% | 0.028 | 41% | 0.409 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 118.2 | 171.3 | -58.3 | 0 | 0 | 0 | 0 | 107.4 | D16 T20 Y24 D44 | D16-S22 PolarHBondContact N-O 2.86Å; T20-S22 VanDerWaalsContact C-N 3.27Å; T20-S22 PolarHBondContact O-N 2.81Å; T20-S22 VanDerWaalsContact O-N 3.14Å; S22-Y24 VanDerWaalsContact CB-CZ 3.45Å; S22-Y24 VanDerWaalsContact CB-OH 3.26Å; S22-Y24 WeakPolarHBondContact CB-OH 3.49Å; S22-Y24 WeakPolarHBondContact O-CE2 3.34Å; S22-D44 PolarHBondContact OG-OD1 3.11Å |
| 23 | V | 62.7 | Low | 66.7 | Low | 49 Ų | 49 | 88 Ų | 88 | 30% | 0.297 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 116.3 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 107.7 | H21 F25 | H21-V23 PolarHBondContact O-N 2.88Å; V23-F25 HydrophobicContact CB-CE2 4.35Å; V23-F25 HydrophobicContact CB-CZ 4.28Å; V23-F25 HydrophobicContact CG1-CE1 3.83Å; V23-F25 HydrophobicContact CG1-CE2 3.83Å; V23-F25 HydrophobicContact CG1-CZ 3.43Å; V23-F25 VanDerWaalsContact CG1-CZ 3.43Å |
| 24 | Y | 67.4 | Low | 66.1 | Low | 55 Ų | 55 | 87.6 Ų | 87.6 | 22% | 0.216 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 134.8 | 179.1 | -53.3 | -87.6 | 0 | 0 | 0 | 109.6 | L14 D16 S22 I42 | L14-Y24 HydrophobicContact CB-CD2 4.49Å; L14-Y24 PolarHBondContact N-O 2.9Å; L14-Y24 PolarHBondContact O-N 2.9Å; D16-Y24 HydrophobicContact CB-CE2 3.98Å; S22-Y24 VanDerWaalsContact CB-CZ 3.45Å; S22-Y24 VanDerWaalsContact CB-OH 3.26Å; S22-Y24 WeakPolarHBondContact CB-OH 3.49Å; S22-Y24 WeakPolarHBondContact O-CE2 3.34Å; Y24-I42 HydrophobicContact CD1-CB 4.06Å; Y24-I42 HydrophobicContact CD1-CG1 3.94Å; Y24-I42 HydrophobicContact CD1-CG2 3.59Å; Y24-I42 HydrophobicContact CE1-CB 4.37Å; Y24-I42 HydrophobicContact CE1-CG1 4.37Å; Y24-I42 HydrophobicContact CE1-CG2 3.46Å; Y24-I42 VanDerWaalsContact CE1-CG2 3.46Å |
| 25 | F | 68.1 | Low | 65.9 | Low | 58 Ų | 58 | 92.1 Ų | 92.1 | 25% | 0.254 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118.3 | 175.7 | -51.1 | -91 | 0 | 0 | 0 | 108.7 | Y13 V23 I41 N43 | Y13-F25 AromaticContact CD1-CD1 3.34Å; Y13-F25 HydrophobicContact CD1-CD1 3.34Å; Y13-F25 AromaticContact CD1-CE1 3.29Å; Y13-F25 HydrophobicContact CD1-CE1 3.29Å; Y13-F25 AromaticContact CE1-CD1 3.38Å; Y13-F25 HydrophobicContact CE1-CD1 3.38Å; Y13-F25 AromaticContact CE1-CE1 3.28Å; Y13-F25 HydrophobicContact CE1-CE1 3.28Å; Y13-F25 HydrophobicContact CG-CD1 4.34Å; V23-F25 HydrophobicContact CB-CE2 4.35Å; V23-F25 HydrophobicContact CB-CZ 4.28Å; V23-F25 HydrophobicContact CG1-CE1 3.83Å; V23-F25 HydrophobicContact CG1-CE2 3.83Å; V23-F25 HydrophobicContact CG1-CZ 3.43Å; V23-F25 VanDerWaalsContact CG1-CZ 3.43Å; F25-I41 PolarHBondContact N-O 2.94Å; F25-I41 CarbonylContact O-C 3.56Å; F25-I41 PolarHBondContact O-N 3.48Å; F25-N43 HydrophobicContact CD2-CB 4.19Å; F25-N43 HydrophobicContact CE2-CB 3.86Å |
| 26 | I | 69.8 | Low | 65.8 | Low | 43 Ų | 43 | 87.9 Ų | 87.9 | 22% | 0.221 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115 | 172.1 | -45 | -161.1 | 0 | 0 | 0 | 107.5 | T11 M12 L14 V38 L40 | T11-I26 CarbonylContact C-O 3.52Å; T11-I26 WeakPolarHBondContact CA-O 3.33Å; M12-I26 HydrophobicContact CB-CB 4.48Å; M12-I26 PolarHBondContact N-O 3.04Å; M12-I26 PolarHBondContact O-N 3.42Å; L14-I26 HydrophobicContact CD1-CD1 3.42Å; L14-I26 VanDerWaalsContact CD1-CD1 3.42Å; L14-I26 HydrophobicContact CD1-CG1 3.63Å; I26-V38 HydrophobicContact CG2-CG1 3.7Å; I26-L40 HydrophobicContact CB-CD1 4.36Å; I26-L40 HydrophobicContact CD1-CD1 3.86Å; I26-L40 HydrophobicContact CG1-CD1 3.54Å |
| 27 | S | 70.2 | Confident | 65.7 | Low | 39 Ų | 39 | 94.4 Ų | 94.4 | 27% | 0.273 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.9 | 171.1 | -60 | 0 | 0 | 0 | 0 | 108.9 | G10 K39 | G10-S27 WeakPolarHBondContact O-CA 3.32Å; S27-K39 PolarHBondContact N-O 3.14Å; S27-K39 CarbonylContact O-C 3.57Å; S27-K39 PolarHBondContact O-N 3.42Å |
| 28 | Y | 71.2 | Confident | 65.7 | Low | 36 Ų | 36 | 90.8 Ų | 90.8 | 14% | 0.141 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 144.8 | 175.7 | 57.5 | -97.2 | 0 | 0 | 0 | 111.2 | M1 G10 M12 I30 | M1-Y28 WeakPolarHBondContact CE-OH 3.48Å; G10-Y28 PolarHBondContact N-O 3.38Å; G10-Y28 VanDerWaalsContact N-O 3.11Å; G10-Y28 PolarHBondContact O-N 2.69Å; M12-Y28 HydrophobicContact CG-CE1 4.02Å; M12-Y28 HydrophobicContact SD-CE1 3.92Å; Y28-I30 HydrophobicContact CD2-CD1 3.57Å; Y28-I30 HydrophobicContact CD2-CG1 3.82Å; Y28-I30 HydrophobicContact CE2-CD1 3.76Å; Y28-I30 HydrophobicContact CE2-CG1 4.45Å |
| 29 | K | 71.6 | Confident | 65.7 | Low | 99 Ų | 99 | 90.6 Ų | 90.6 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 109.8 | 171 | -179.6 | 174.4 | 177.6 | 176.4 | 0 | 107.2 | Y7 I9 K37 | Y7-K29 HydrophobicContact CD1-CD 4.13Å; Y7-K29 HydrophobicContact CD1-CG 3.87Å; Y7-K29 HydrophobicContact CG-CD 4.47Å; Y7-K29 HydrophobicContact CG-CG 4.33Å; I9-K29 HydrophobicContact CG1-CG 4.35Å; K29-K37 PolarHBondContact N-O 2.88Å; K29-K37 PolarHBondContact O-N 3.21Å; K29-K37 VanDerWaalsContact O-N 3.11Å |
| 30 | I | 70.1 | Confident | 66.1 | Low | 70 Ų | 70 | 89.5 Ų | 89.5 | 36% | 0.359 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 131.2 | 177.9 | -59.2 | 164.8 | 0 | 0 | 0 | 106.9 | Y7 I8 Y28 A36 | Y7-I30 CarbonylContact C-O 3.55Å; Y7-I30 VanDerWaalsContact CA-O 3.28Å; Y7-I30 WeakPolarHBondContact CA-O 3.47Å; I8-I30 PolarHBondContact N-O 3.12Å; I8-I30 PolarHBondContact O-N 2.84Å; Y28-I30 HydrophobicContact CD2-CD1 3.57Å; Y28-I30 HydrophobicContact CD2-CG1 3.82Å; Y28-I30 HydrophobicContact CE2-CD1 3.76Å; Y28-I30 HydrophobicContact CE2-CG1 4.45Å; I30-A36 HydrophobicContact CB-CB 4.41Å; I30-A36 HydrophobicContact CG1-CB 3.87Å; I30-A36 HydrophobicContact CG2-CB 4.4Å |
| 31 | S | 71.2 | Confident | 66.4 | Low | 12 Ų | 12 | 90.8 Ų | 90.8 | 8% | 0.084 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 144 | 166.8 | 91 | 0 | 0 | 0 | 0 | 108.3 | E33 K34 | S31-E33 PolarHBondContact O-N 3.4Å; S31-K34 VanDerWaalsContact OG-C 3.27Å; S31-K34 WeakPolarHBondContact OG-CA 3.28Å; S31-K34 WeakPolarHBondContact OG-CB 3.26Å; S31-K34 PolarHBondContact OG-N 2.94Å; S31-K34 PolarHBondContact OG-O 2.89Å |
| 32 | Y | 66 | Low | 66.7 | Low | 176 Ų | 176 | 88.4 Ų | 88.4 | 69% | 0.69 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -64.8 | -28.8 | -178.6 | -81.4 | -84.5 | 0 | 0 | 0 | 112.9 | I8 | I8-Y32 HydrophobicContact CD1-CE2 3.63Å; I8-Y32 WeakPolarHBondContact CD1-OH 3.28Å; I8-Y32 HydrophobicContact CG1-CE2 4.02Å |
| 33 | E | 67.1 | Low | 66.7 | Low | 171 Ų | 171 | 92.7 Ų | 92.7 | 80% | 0.799 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -104.1 | -17.4 | -175 | -62.3 | -169.1 | 163.2 | 0 | 0 | 114.5 | S31 | S31-E33 PolarHBondContact O-N 3.4Š|
| 34 | K | 60.6 | Low | 66.7 | Low | 141 Ų | 141 | 92.1 Ų | 92.1 | 61% | 0.613 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -132.9 | 144.6 | -172 | -46.4 | -177.6 | 178.1 | 177.3 | 0 | 110.7 | S31 | S31-K34 VanDerWaalsContact OG-C 3.27Å; S31-K34 WeakPolarHBondContact OG-CA 3.28Å; S31-K34 WeakPolarHBondContact OG-CB 3.26Å; S31-K34 PolarHBondContact OG-N 2.94Å; S31-K34 PolarHBondContact OG-O 2.89Å |
| 35 | E | 65.9 | Low | 66.3 | Low | 176 Ų | 176 | 93.4 Ų | 93.4 | 82% | 0.822 | 46% | 0.463 | S | S | * | . | trans | -34.1 | 133.7 | 178.7 | -69.8 | 178.4 | 150.6 | 0 | 0 | 113.8 | K37 | E35-K37 PolarHBondContact O-N 3.05Š| ||
| 36 | A | 64.2 | Low | 65.7 | Low | 57 Ų | 57 | 96.1 Ų | 96.1 | 47% | 0.471 | 48% | 0.475 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 127 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I30 | I30-A36 HydrophobicContact CB-CB 4.41Å; I30-A36 HydrophobicContact CG1-CB 3.87Å; I30-A36 HydrophobicContact CG2-CB 4.4Å |
| 37 | K | 64.4 | Low | 64.9 | Low | 170 Ų | 170 | 100 Ų | 100 | 74% | 0.739 | 50% | 0.496 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 116.4 | 169 | -69.2 | -173.5 | -179.7 | -177.3 | 0 | 108.5 | K29 E35 | K29-K37 PolarHBondContact N-O 2.88Å; K29-K37 PolarHBondContact O-N 3.21Å; K29-K37 VanDerWaalsContact O-N 3.11Å; E35-K37 PolarHBondContact O-N 3.05Å |
| 38 | V | 66.4 | Low | 64 | Low | 95 Ų | 95 | 105.5 Ų | 105.5 | 58% | 0.576 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.6 | 177.5 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | I26 | I26-V38 HydrophobicContact CG2-CG1 3.7Å |
| 39 | K | 66.1 | Low | 62.9 | Low | 144 Ų | 144 | 108.5 Ų | 108.5 | 63% | 0.626 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 106.1 | 173.3 | -170.3 | 179 | -179.6 | -177.8 | 0 | 108.5 | S27 I41 | S27-K39 PolarHBondContact N-O 3.14Å; S27-K39 CarbonylContact O-C 3.57Å; S27-K39 PolarHBondContact O-N 3.42Å; K39-I41 HydrophobicContact CD-CD1 4.41Å; K39-I41 HydrophobicContact CD-CG1 4.47Å; K39-I41 HydrophobicContact CG-CG1 4.23Å |
| 40 | L | 67.7 | Low | 62.1 | Low | 97 Ų | 97 | 111.6 Ų | 111.6 | 51% | 0.508 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.1 | 120.8 | 172.7 | 178.7 | 61.4 | 0 | 0 | 0 | 109 | I26 I42 | I26-L40 HydrophobicContact CB-CD1 4.36Å; I26-L40 HydrophobicContact CD1-CD1 3.86Å; I26-L40 HydrophobicContact CG1-CD1 3.54Å; L40-I42 HydrophobicContact CD1-CG1 4.38Å; L40-I42 HydrophobicContact CD2-CD1 4.06Å; L40-I42 HydrophobicContact CD2-CG1 4.11Å; L40-I42 HydrophobicContact CG-CD1 4.4Å; L40-I42 HydrophobicContact CG-CG1 3.92Å |
| 41 | I | 65.3 | Low | 61.2 | Low | 75 Ų | 75 | 115.2 Ų | 115.2 | 39% | 0.385 | 57% | 0.569 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -112.7 | 106.1 | 174.4 | -57.5 | 176.5 | 0 | 0 | 0 | 107.3 | F25 K39 | F25-I41 PolarHBondContact N-O 2.94Å; F25-I41 CarbonylContact O-C 3.56Å; F25-I41 PolarHBondContact O-N 3.48Å; K39-I41 HydrophobicContact CD-CD1 4.41Å; K39-I41 HydrophobicContact CD-CG1 4.47Å; K39-I41 HydrophobicContact CG-CG1 4.23Å |
| 42 | I | 64.9 | Low | 60.2 | Low | 90 Ų | 90 | 121.9 Ų | 121.9 | 46% | 0.462 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 109.1 | 177.8 | -60.5 | 175.9 | 0 | 0 | 0 | 107.6 | Y24 L40 D44 | Y24-I42 HydrophobicContact CD1-CB 4.06Å; Y24-I42 HydrophobicContact CD1-CG1 3.94Å; Y24-I42 HydrophobicContact CD1-CG2 3.59Å; Y24-I42 HydrophobicContact CE1-CB 4.37Å; Y24-I42 HydrophobicContact CE1-CG1 4.37Å; Y24-I42 HydrophobicContact CE1-CG2 3.46Å; Y24-I42 VanDerWaalsContact CE1-CG2 3.46Å; L40-I42 HydrophobicContact CD1-CG1 4.38Å; L40-I42 HydrophobicContact CD2-CD1 4.06Å; L40-I42 HydrophobicContact CD2-CG1 4.11Å; L40-I42 HydrophobicContact CG-CD1 4.4Å; L40-I42 HydrophobicContact CG-CG1 3.92Å; I42-D44 HydrophobicContact CG2-CB 3.97Å; I42-D44 PolarHBondContact O-N 2.79Å |
| 43 | N | 60.9 | Low | 59.3 | Low | 93 Ų | 93 | 120.7 Ų | 120.7 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.6 | 79.9 | 169.3 | -169.7 | 17.7 | 0 | 0 | 0 | 108.9 | F25 S45 | F25-N43 HydrophobicContact CD2-CB 4.19Å; F25-N43 HydrophobicContact CE2-CB 3.86Å; N43-S45 PolarHBondContact O-N 2.64Å |
| 44 | D | 61.5 | Low | 58.2 | Low | 37 Ų | 37 | 121.1 Ų | 121.1 | 20% | 0.198 | 60% | 0.601 | C | S | . | * | trans | -93.6 | 94.8 | 171.1 | -168.4 | 2.4 | 0 | 0 | 0 | 108.3 | S22 I42 K46 L47 | S22-D44 PolarHBondContact OG-OD1 3.11Å; I42-D44 HydrophobicContact CG2-CB 3.97Å; I42-D44 PolarHBondContact O-N 2.79Å; D44-K46 PolarHBondContact O-N 3.07Å; D44-K46 VanDerWaalsContact OD1-CB 3.28Å; D44-K46 WeakPolarHBondContact OD1-CB 3.27Å; D44-K46 PolarHBondContact OD1-N 3.21Å; D44-K46 VanDerWaalsContact OD1-N 3.12Å; D44-L47 HydrophobicContact CB-CB 4.3Å; D44-L47 HydrophobicContact CB-CD1 3.72Å; D44-L47 HydrophobicContact CB-CG 3.7Å; D44-L47 WeakPolarHBondContact O-CB 3.25Å; D44-L47 PolarHBondContact O-N 2.73Å | ||
| 45 | S | 59.3 | Low | 57.3 | Low | 83 Ų | 83 | 121.4 Ų | 121.4 | 58% | 0.58 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -11.6 | 173.7 | 57.2 | 0 | 0 | 0 | 0 | 113 | N43 | N43-S45 PolarHBondContact O-N 2.64Š|
| 46 | K | 55.7 | Low | 56.2 | Low | 114 Ų | 114 | 125.2 Ų | 125.2 | 50% | 0.496 | 62% | 0.621 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.1 | -10.8 | 174.3 | -54.2 | -168 | 173.2 | -150.9 | 0 | 114.5 | T20 D44 E48 | T20-K46 VanDerWaalsContact CA-NZ 3.35Å; T20-K46 HydrophobicContact CG2-CD 4.16Å; T20-K46 VanDerWaalsContact O-CE 3.29Å; T20-K46 WeakPolarHBondContact O-CE 3.4Å; D44-K46 PolarHBondContact O-N 3.07Å; D44-K46 VanDerWaalsContact OD1-CB 3.28Å; D44-K46 WeakPolarHBondContact OD1-CB 3.27Å; D44-K46 PolarHBondContact OD1-N 3.21Å; D44-K46 VanDerWaalsContact OD1-N 3.12Å; K46-E48 VanDerWaalsContact C-N 3.26Å |
| 47 | L | 52.2 | Low | 55.8 | Low | 126 Ų | 126 | 128.6 Ų | 128.6 | 66% | 0.66 | 63% | 0.629 | S | S | * | * | trans | -78.3 | -13 | 173.2 | -72.5 | 176.1 | 0 | 0 | 0 | 112.5 | D44 P49 | D44-L47 HydrophobicContact CB-CB 4.3Å; D44-L47 HydrophobicContact CB-CD1 3.72Å; D44-L47 HydrophobicContact CB-CG 3.7Å; D44-L47 WeakPolarHBondContact O-CB 3.25Å; D44-L47 PolarHBondContact O-N 2.73Å; L47-P49 VanDerWaalsContact O-CD 3.25Å; L47-P49 WeakPolarHBondContact O-CD 3.29Å; L47-P49 VanDerWaalsContact O-N 3.1Å | ||
| 48 | E | 51.5 | Low | 55.3 | Low | 153 Ų | 153 | 126.4 Ų | 126.4 | 72% | 0.715 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -59.8 | 118 | 165.8 | -71.1 | -135.1 | 128.6 | 0 | 0 | 107.6 | K46 K50 | K46-E48 VanDerWaalsContact C-N 3.26Å; E48-K50 PolarHBondContact O-N 2.78Å |
| 49 | P | 49.2 | Very low | 54.7 | Low | 99 Ų | 99 | 128.2 Ų | 128.2 | 64% | 0.643 | 63% | 0.626 | S | S | * | * | trans | -59.9 | 109.3 | 174.4 | 23.5 | -29 | 0 | 0 | 0 | 105.2 | L47 H51 | L47-P49 VanDerWaalsContact O-CD 3.25Å; L47-P49 WeakPolarHBondContact O-CD 3.29Å; L47-P49 VanDerWaalsContact O-N 3.1Å; P49-H51 PolarHBondContact O-N 2.92Å; P49-H51 PolarHBondContact O-ND1 2.81Å | ||
| 50 | K | 54 | Low | 54 | Low | 165 Ų | 165 | 127.2 Ų | 127.2 | 72% | 0.717 | 63% | 0.625 | S | S | * | * | trans | -53.4 | 101.9 | 169.3 | -70.3 | -175.9 | 179 | -176.9 | 0 | 104.7 | E48 H52 | E48-K50 PolarHBondContact O-N 2.78Å; K50-H52 PolarHBondContact O-N 3.35Å | ||
| 51 | H | 50.5 | Low | 53.2 | Low | 146 Ų | 146 | 129.1 Ų | 129.1 | 68% | 0.676 | 63% | 0.633 | S | S | * | * | trans | -64.7 | 88.6 | 168.5 | -77 | 58 | 0 | 0 | 0 | 103.7 | P49 H53 | P49-H51 PolarHBondContact O-N 2.92Å; P49-H51 PolarHBondContact O-ND1 2.81Å; H51-H53 PolarHBondContact O-N 2.72Å | ||
| 52 | H | 51.7 | Low | 52.4 | Low | 152 Ų | 152 | 132.7 Ų | 132.7 | 70% | 0.704 | 65% | 0.649 | S | S | * | * | trans | -69.2 | 75.8 | 165.3 | -78.6 | -26.9 | 0 | 0 | 0 | 106.3 | K50 H54 | K50-H52 PolarHBondContact O-N 3.35Å; H52-H54 PolarHBondContact O-N 2.99Å | ||
| 53 | H | 45.8 | Very low | 51.5 | Low | 151 Ų | 151 | 135.8 Ų | 135.8 | 70% | 0.699 | 66% | 0.663 | S | S | * | * | trans | -66.1 | 79.3 | 147.5 | -75.7 | 168.5 | 0 | 0 | 0 | 106.4 | H51 H55 | H51-H53 PolarHBondContact O-N 2.72Å; H53-H55 VanDerWaalsContact C-N 3.28Å; H53-H55 PolarHBondContact O-N 2.73Å | ||
| 54 | H | 45.3 | Very low | 50.7 | Low | 179 Ų | 179 | 139.1 Ų | 139.1 | 83% | 0.829 | 68% | 0.676 | S | S | * | * | trans | -86.2 | 91.1 | 152.4 | -116 | 71.9 | 0 | 0 | 0 | 106.4 | H52 | H52-H54 PolarHBondContact O-N 2.99Š| ||
| 55 | H | 41.1 | Very low | 49.8 | Very low | 147 Ų | 147 | 147.6 Ų | 147.6 | 68% | 0.681 | 72% | 0.715 | S | S | * | * | trans | -54.3 | 144.2 | 159.3 | -105.1 | -92.1 | 0 | 0 | 0 | 109.9 | H53 | H53-H55 VanDerWaalsContact C-N 3.28Å; H53-H55 PolarHBondContact O-N 2.73Å | ||
| 56 | H | 42 | Very low | 49 | Very low | 256 Ų | 256 | 153.5 Ų | 153.5 | 100% | 1.185 | 73% | 0.728 | S | S | * | * | trans | 80.6 | 0 | 162.4 | -86.8 | -75.2 | 0 | 0 | 0 | 119.2 |
Retrieved 56 of 56 residues in 30.5 ms
(Link to these results)