| 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 | D | 62 | Low | 80.5 | Confident | 147 Ų | 147 | 102.6 Ų | 102.6 | 79% | 0.786 | 48% | 0.482 | S | S | * | . | 0 | 159.9 | 0 | -61.5 | -27.7 | 0 | 0 | 0 | 111.8 | N3 Y4 | D1-N3 PolarHBondContact O-N 2.87Å; D1-N3 VanDerWaalsContact O-N 3.14Å; D1-Y4 VanDerWaalsContact O-CB 3.3Å; D1-Y4 WeakPolarHBondContact O-CB 3.32Å; D1-Y4 PolarHBondContact O-N 2.86Å | |||
| 2 | M | 70.9 | Confident | 81.3 | Confident | 89 Ų | 89 | 94.8 Ų | 94.8 | 44% | 0.438 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -52 | -34.4 | -175.7 | -75.8 | -66 | 107.7 | 0 | 0 | 113.3 | Y4 L5 E6 L15 I30 | M2-Y4 PolarHBondContact O-N 3.18Å; M2-L5 HydrophobicContact CE-CD1 3.59Å; M2-L5 WeakPolarHBondContact O-CB 3.18Å; M2-L5 PolarHBondContact O-N 3.3Å; M2-L5 HydrophobicContact SD-CD1 4.28Å; M2-E6 PolarHBondContact O-N 3.37Å; M2-L15 HydrophobicContact CE-CD1 3.67Å; M2-L15 HydrophobicContact CE-CD2 3.16Å; M2-L15 HydrophobicContact CE-CG 3.97Å; M2-L15 HydrophobicContact SD-CD2 3.71Å; M2-I30 HydrophobicContact CE-CD1 3.64Å |
| 3 | N | 79.4 | Confident | 82 | Confident | 110 Ų | 110 | 98.2 Ų | 98.2 | 59% | 0.588 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -55.1 | -36.3 | 175.3 | -58 | 8.3 | 0 | 0 | 0 | 112.4 | D1 L5 E6 D7 | D1-N3 PolarHBondContact O-N 2.87Å; D1-N3 VanDerWaalsContact O-N 3.14Å; N3-L5 VanDerWaalsContact C-N 3.34Å; N3-L5 PolarHBondContact O-N 3.04Å; N3-E6 PolarHBondContact O-N 3.22Å; N3-D7 WeakPolarHBondContact O-CB 3.42Å; N3-D7 PolarHBondContact O-N 2.8Å |
| 4 | Y | 81.2 | Confident | 82.5 | Confident | 131 Ų | 131 | 93.6 Ų | 93.6 | 51% | 0.514 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.7 | -36.9 | 177.6 | 177.7 | -97.8 | 0 | 0 | 0 | 112.4 | D1 M2 R8 | D1-Y4 VanDerWaalsContact O-CB 3.3Å; D1-Y4 WeakPolarHBondContact O-CB 3.32Å; D1-Y4 PolarHBondContact O-N 2.86Å; M2-Y4 PolarHBondContact O-N 3.18Å; Y4-R8 HydrophobicContact CE1-CG 4.37Å; Y4-R8 HydrophobicContact CE2-CG 4.47Å; Y4-R8 WeakPolarHBondContact O-CB 3.31Å; Y4-R8 WeakPolarHBondContact O-CG 3.45Å; Y4-R8 PolarHBondContact O-N 3.47Å; Y4-R8 PolarHBondContact OH-NE 3.3Å; Y4-R8 PolarHBondContact OH-NH2 2.87Å |
| 5 | L | 80.8 | Confident | 83 | Confident | 10 Ų | 10 | 92.9 Ų | 92.9 | 5% | 0.052 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -72.3 | -39.8 | 177.2 | -65.4 | -178.6 | 0 | 0 | 0 | 110.6 | M2 N3 R8 R9 L10 H12 I30 F33 | M2-L5 HydrophobicContact CE-CD1 3.59Å; M2-L5 WeakPolarHBondContact O-CB 3.18Å; M2-L5 PolarHBondContact O-N 3.3Å; M2-L5 HydrophobicContact SD-CD1 4.28Å; N3-L5 VanDerWaalsContact C-N 3.34Å; N3-L5 PolarHBondContact O-N 3.04Å; L5-R8 CarbonylContact O-C 3.55Å; L5-R8 PolarHBondContact O-N 2.87Å; L5-R9 PolarHBondContact O-N 2.78Å; L5-L10 WeakPolarHBondContact CB-O 3.4Å; L5-L10 HydrophobicContact CD2-CD2 3.87Å; L5-L10 HydrophobicContact CD2-CG 4.44Å; L5-L10 PolarHBondContact O-N 2.91Å; L5-H12 HydrophobicContact CD1-CB 4.11Å; L5-I30 HydrophobicContact CD1-CD1 3.85Å; L5-I30 HydrophobicContact CG-CD1 4.43Å; L5-F33 HydrophobicContact CD2-CE1 3.95Å; L5-F33 HydrophobicContact CD2-CZ 4.41Å |
| 6 | E | 81.1 | Confident | 83.4 | Confident | 141 Ų | 141 | 88.8 Ų | 88.8 | 66% | 0.659 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62.1 | -49.2 | 175.5 | -174.4 | 178.8 | -169.8 | 0 | 0 | 112.5 | M2 N3 R8 R9 | M2-E6 PolarHBondContact O-N 3.37Å; N3-E6 PolarHBondContact O-N 3.22Å; E6-R8 PolarHBondContact O-N 3.14Å; E6-R8 VanDerWaalsContact O-N 3.12Å; E6-R9 WeakPolarHBondContact O-CA 3.03Å; E6-R9 PolarHBondContact O-N 2.84Å |
| 7 | D | 83.6 | Confident | 84 | Confident | 136 Ų | 136 | 88.9 Ų | 88.9 | 73% | 0.727 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -57.1 | -31.1 | 176.6 | -74.1 | -17.8 | 0 | 0 | 0 | 112.1 | N3 R9 | N3-D7 WeakPolarHBondContact O-CB 3.42Å; N3-D7 PolarHBondContact O-N 2.8Å; D7-R9 VanDerWaalsContact C-N 3.3Å |
| 8 | R | 84.1 | Confident | 84.6 | Confident | 152 Ų | 152 | 93 Ų | 93 | 57% | 0.574 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | 0.6 | 179.1 | -64.1 | -93.4 | -103.1 | -168.7 | -2.1 | 112.6 | Y4 L5 E6 L10 L38 | Y4-R8 HydrophobicContact CE1-CG 4.37Å; Y4-R8 HydrophobicContact CE2-CG 4.47Å; Y4-R8 WeakPolarHBondContact O-CB 3.31Å; Y4-R8 WeakPolarHBondContact O-CG 3.45Å; Y4-R8 PolarHBondContact O-N 3.47Å; Y4-R8 PolarHBondContact OH-NE 3.3Å; Y4-R8 PolarHBondContact OH-NH2 2.87Å; L5-R8 CarbonylContact O-C 3.55Å; L5-R8 PolarHBondContact O-N 2.87Å; E6-R8 PolarHBondContact O-N 3.14Å; E6-R8 VanDerWaalsContact O-N 3.12Å; R8-L10 HydrophobicContact CB-CB 4.26Å; R8-L10 PolarHBondContact O-N 2.82Å; R8-L38 WeakPolarHBondContact O-CD1 3.3Å |
| 9 | R | 86 | Confident | 85.1 | Confident | 128 Ų | 128 | 88.6 Ų | 88.6 | 48% | 0.483 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 38.4 | -172.6 | -55.5 | -170.7 | -171.9 | -158.2 | 3.6 | 112.3 | L5 E6 D7 L39 A41 | L5-R9 PolarHBondContact O-N 2.78Å; E6-R9 WeakPolarHBondContact O-CA 3.03Å; E6-R9 PolarHBondContact O-N 2.84Å; D7-R9 VanDerWaalsContact C-N 3.3Å; R9-L39 HydrophobicContact CB-CB 4.23Å; R9-L39 PolarHBondContact O-N 3.14Å; R9-A41 PolarHBondContact NH1-O 3.18Å |
| 10 | L | 86.6 | Confident | 85.5 | Confident | 46 Ų | 46 | 86.5 Ų | 86.5 | 24% | 0.241 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 118.6 | -176.2 | -174.7 | 66.6 | 0 | 0 | 0 | 110 | L5 R8 F33 A36 L38 | L5-L10 WeakPolarHBondContact CB-O 3.4Å; L5-L10 HydrophobicContact CD2-CD2 3.87Å; L5-L10 HydrophobicContact CD2-CG 4.44Å; L5-L10 PolarHBondContact O-N 2.91Å; R8-L10 HydrophobicContact CB-CB 4.26Å; R8-L10 PolarHBondContact O-N 2.82Å; L10-F33 HydrophobicContact CD2-CD1 3.96Å; L10-F33 HydrophobicContact CD2-CE1 3.77Å; L10-A36 HydrophobicContact CD1-CB 4.18Å; L10-L38 HydrophobicContact CD1-CB 4.48Å; L10-L38 HydrophobicContact CD1-CD1 4.31Å |
| 11 | V | 89.2 | Confident | 86 | Confident | 39 Ų | 39 | 86.9 Ų | 86.9 | 24% | 0.236 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 114.8 | 174.6 | -173.2 | 0 | 0 | 0 | 0 | 108.3 | R13 A36 K37 L39 Y46 | V11-R13 HydrophobicContact CB-CG 4.43Å; V11-R13 HydrophobicContact CG1-CG 3.77Å; V11-A36 CarbonylContact O-C 3.5Å; V11-A36 WeakPolarHBondContact O-CA 3.42Å; V11-K37 PolarHBondContact N-O 3.43Å; V11-K37 PolarHBondContact O-N 3.12Å; V11-L39 HydrophobicContact CG2-CD1 3.83Å; V11-L39 HydrophobicContact CG2-CD2 4.21Å; V11-L39 HydrophobicContact CG2-CG 4Å; V11-Y46 HydrophobicContact CG1-CD1 4.03Å; V11-Y46 HydrophobicContact CG1-CE1 4.27Å; V11-Y46 HydrophobicContact CG1-CG 4.46Å; V11-Y46 HydrophobicContact CG2-CD1 4.47Å; V11-Y46 HydrophobicContact CG2-CG 4.14Å |
| 12 | H | 90.6 | Very high | 87.5 | Confident | 8 Ų | 8 | 84.7 Ų | 84.7 | 4% | 0.037 | 42% | 0.415 | C | S | . | . | trans | -68.3 | -34.3 | -177.5 | -173.3 | -69.8 | 0 | 0 | 0 | 113.1 | L5 D14 L15 I30 T31 D32 F33 L35 A36 | L5-H12 HydrophobicContact CD1-CB 4.11Å; H12-D14 PolarHBondContact CE1-O 3.26Å; H12-D14 VanDerWaalsContact CE1-O 3.27Å; H12-D14 PolarHBondContact ND1-N 2.98Å; H12-D14 PolarHBondContact ND1-O 2.97Å; H12-D14 PolarHBondContact O-N 3.28Å; H12-L15 PolarHBondContact ND1-N 3.11Å; H12-I30 WeakPolarHBondContact CD2-CG2 3.48Å; H12-T31 PolarHBondContact NE2-O 2.79Å; H12-D32 PolarHBondContact CE1-O 3.39Å; H12-D32 PolarHBondContact NE2-O 3.38Å; H12-F33 AromaticContact CD2-CD1 3.61Å; H12-F33 AromaticContact CD2-CE1 3.53Å; H12-F33 AromaticContact CD2-CZ 3.99Å; H12-L35 CarbonylContact O-C 3.53Å; H12-A36 WeakPolarHBondContact O-CA 3.41Å; H12-A36 PolarHBondContact O-N 3.23Å | ||
| 13 | R | 90.4 | Very high | 88.5 | Confident | 139 Ų | 139 | 88 Ų | 88 | 53% | 0.525 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 62.6 | -11.7 | -180 | -64.2 | -177.9 | 35.8 | -175.3 | -8.4 | 117.4 | V11 L35 Y46 | V11-R13 HydrophobicContact CB-CG 4.43Å; V11-R13 HydrophobicContact CG1-CG 3.77Å; R13-L35 HydrophobicContact CB-CB 4.32Å; R13-L35 WeakPolarHBondContact CB-O 3.27Å; R13-L35 WeakPolarHBondContact CD-O 3.45Å; R13-L35 PolarHBondContact NE-O 3.02Å; R13-Y46 WeakPolarHBondContact CD-OH 3.43Å |
| 14 | D | 89.3 | Confident | 89.2 | Confident | 34 Ų | 34 | 85.9 Ų | 85.9 | 18% | 0.182 | 42% | 0.418 | C | S | . | . | trans | -138.3 | 50.2 | 174.1 | -171.2 | 30 | 0 | 0 | 0 | 111.5 | H12 A16 R18 N19 L35 | H12-D14 PolarHBondContact CE1-O 3.26Å; H12-D14 VanDerWaalsContact CE1-O 3.27Å; H12-D14 PolarHBondContact ND1-N 2.98Å; H12-D14 PolarHBondContact ND1-O 2.97Å; H12-D14 PolarHBondContact O-N 3.28Å; D14-A16 PolarHBondContact O-N 2.85Å; D14-R18 IonicContact OD1-CZ 3.61Å; D14-R18 IonicContact OD1-NH2 2.65Å; D14-R18 PolarHBondContact OD1-NH2 2.79Å; D14-R18 IonicContact OD2-CZ 3.62Å; D14-R18 IonicContact OD2-NE 3.95Å; D14-R18 IonicContact OD2-NH2 2.67Å; D14-R18 PolarHBondContact OD2-NH2 3.02Å; D14-N19 PolarHBondContact O-ND2 3.21Å; D14-N19 PolarHBondContact OD2-ND2 2.84Å; D14-L35 HydrophobicContact CB-CD1 4.01Å | ||
| 15 | L | 89.4 | Confident | 89.6 | Confident | 83 Ų | 83 | 85 Ų | 85 | 44% | 0.435 | 43% | 0.428 | S | S | . | . | trans | -78 | 94.9 | 176.4 | -171.2 | 80.1 | 0 | 0 | 0 | 109.9 | M2 H12 V20 I30 | M2-L15 HydrophobicContact CE-CD1 3.67Å; M2-L15 HydrophobicContact CE-CD2 3.16Å; M2-L15 HydrophobicContact CE-CG 3.97Å; M2-L15 HydrophobicContact SD-CD2 3.71Å; H12-L15 PolarHBondContact ND1-N 3.11Å; L15-V20 HydrophobicContact CD1-CG2 4.37Å; L15-I30 HydrophobicContact CD1-CD1 4.03Å; L15-I30 HydrophobicContact CD1-CG1 4.21Å; L15-I30 HydrophobicContact CD1-CG2 3.88Å | ||
| 16 | A | 90.3 | Very high | 90.1 | Very high | 27 Ų | 27 | 92.9 Ų | 92.9 | 22% | 0.223 | 47% | 0.465 | C | S | . | . | trans | -124.5 | 160.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | D14 R18 N19 | D14-A16 PolarHBondContact O-N 2.85Å; A16-R18 HydrophobicContact CB-CG 4Å; A16-R18 VanDerWaalsContact CB-NH1 3.29Å; A16-R18 PolarHBondContact O-N 3.23Å; A16-R18 VanDerWaalsContact O-N 3.1Å; A16-N19 WeakPolarHBondContact O-CA 3.36Å; A16-N19 WeakPolarHBondContact O-CB 3.46Å; A16-N19 PolarHBondContact O-N 2.81Å | ||
| 17 | A | 92.6 | Very high | 90.5 | Very high | 91 Ų | 91 | 90 Ų | 90 | 75% | 0.752 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -53.7 | -34.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N19 V20 | A17-N19 PolarHBondContact O-N 3.1Å; A17-V20 PolarHBondContact O-N 2.85Å; A17-V20 VanDerWaalsContact O-N 3.11Å |
| 18 | R | 95.2 | Very high | 91 | Very high | 163 Ų | 163 | 86.8 Ų | 86.8 | 62% | 0.615 | 44% | 0.436 | S | S | * | . | G | 310 helix | trans | -60.1 | -26.4 | 174.2 | 66.2 | 173.7 | -174.2 | -81.3 | -1.4 | 113.9 | D14 A16 | D14-R18 IonicContact OD1-CZ 3.61Å; D14-R18 IonicContact OD1-NH2 2.65Å; D14-R18 PolarHBondContact OD1-NH2 2.79Å; D14-R18 IonicContact OD2-CZ 3.62Å; D14-R18 IonicContact OD2-NE 3.95Å; D14-R18 IonicContact OD2-NH2 2.67Å; D14-R18 PolarHBondContact OD2-NH2 3.02Å; A16-R18 HydrophobicContact CB-CG 4Å; A16-R18 VanDerWaalsContact CB-NH1 3.29Å; A16-R18 PolarHBondContact O-N 3.23Å; A16-R18 VanDerWaalsContact O-N 3.1Å |
| 19 | N | 93.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 85.3 Ų | 85.3 | 5% | 0.048 | 43% | 0.434 | C | S | . | . | G | 310 helix | trans | -99 | 14.2 | -179.2 | -66.3 | -17 | 0 | 0 | 0 | 112 | D14 A16 A17 T31 D32 | D14-N19 PolarHBondContact O-ND2 3.21Å; D14-N19 PolarHBondContact OD2-ND2 2.84Å; A16-N19 WeakPolarHBondContact O-CA 3.36Å; A16-N19 WeakPolarHBondContact O-CB 3.46Å; A16-N19 PolarHBondContact O-N 2.81Å; A17-N19 PolarHBondContact O-N 3.1Å; N19-T31 HydrophobicContact CB-CG2 4.4Å; N19-T31 WeakPolarHBondContact O-CG2 3.35Å; N19-T31 PolarHBondContact O-N 3.03Å; N19-D32 HydrophobicContact CB-CB 4.49Å |
| 20 | V | 93.7 | Very high | 91.7 | Very high | 47 Ų | 47 | 81.3 Ų | 81.3 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 113.7 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | L15 A17 V28 | L15-V20 HydrophobicContact CD1-CG2 4.37Å; A17-V20 PolarHBondContact O-N 2.85Å; A17-V20 VanDerWaalsContact O-N 3.11Å; V20-V28 HydrophobicContact CG1-CB 4.01Å; V20-V28 HydrophobicContact CG1-CG1 4.42Å |
| 21 | L | 95.3 | Very high | 92 | Very high | 95 Ų | 95 | 81.7 Ų | 81.7 | 50% | 0.497 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 121.2 | 177.3 | -55.5 | 180 | 0 | 0 | 0 | 109.8 | V28 K29 T31 | L21-V28 CarbonylContact O-C 3.48Å; L21-V28 VanDerWaalsContact O-CA 3.31Å; L21-V28 WeakPolarHBondContact O-CA 3.41Å; L21-K29 HydrophobicContact CB-CB 4.43Å; L21-K29 PolarHBondContact N-O 2.99Å; L21-K29 PolarHBondContact O-N 2.96Å; L21-T31 HydrophobicContact CD1-CG2 4.14Å; L21-T31 HydrophobicContact CD2-CG2 4.15Å; L21-T31 HydrophobicContact CG-CG2 3.85Å |
| 22 | V | 95.1 | Very high | 92.1 | Very high | 101 Ų | 101 | 83.7 Ų | 83.7 | 61% | 0.612 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.4 | 177.1 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | T24 V28 | V22-T24 VanDerWaalsContact CG1-O 3.32Å; V22-T24 WeakPolarHBondContact CG1-O 3.42Å; V22-V28 HydrophobicContact CG1-CG1 4.43Å; V22-V28 HydrophobicContact CG2-CG1 4.09Å |
| 23 | K | 90.9 | Very high | 92.1 | Very high | 158 Ų | 158 | 87.6 Ų | 87.6 | 69% | 0.687 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90 | -43.3 | 171.6 | -173.4 | 179.1 | 178.9 | -177.1 | 0 | 110.9 | H27 | K23-H27 HydrophobicContact CB-CB 4.4Å; K23-H27 PolarHBondContact N-O 3.43Å |
| 24 | T | 94.7 | Very high | 92.1 | Very high | 65 Ų | 65 | 84.1 Ų | 84.1 | 40% | 0.399 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 165.9 | 171.3 | 65.6 | 0 | 0 | 0 | 0 | 108.4 | V22 Q26 H27 | V22-T24 VanDerWaalsContact CG1-O 3.32Å; V22-T24 WeakPolarHBondContact CG1-O 3.42Å; T24-Q26 PolarHBondContact O-N 2.96Å; T24-H27 PolarHBondContact N-O 2.83Å; T24-H27 CarbonylContact O-C 3.42Å; T24-H27 PolarHBondContact O-N 3.46Å; T24-H27 WeakPolarHBondContact OG1-CB 3.5Å; T24-H27 PolarHBondContact OG1-N 3.13Å |
| 25 | P | 89.1 | Confident | 92.1 | Very high | 112 Ų | 112 | 86.8 Ų | 86.8 | 73% | 0.727 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26 | -178.7 | -26.7 | 36 | 0 | 0 | 0 | 114.4 | ||
| 26 | Q | 91 | Very high | 92.1 | Very high | 176 Ų | 176 | 84.3 Ų | 84.3 | 82% | 0.822 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 1.8 | 175.8 | -65.6 | 74.2 | 37.2 | 0 | 0 | 113.6 | T24 | T24-Q26 PolarHBondContact O-N 2.96Š|
| 27 | H | 90.8 | Very high | 92 | Very high | 82 Ų | 82 | 86.7 Ų | 86.7 | 38% | 0.38 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 103.7 | -178.1 | -165.9 | 148.3 | 0 | 0 | 0 | 110.6 | K23 T24 | K23-H27 HydrophobicContact CB-CB 4.4Å; K23-H27 PolarHBondContact N-O 3.43Å; T24-H27 PolarHBondContact N-O 2.83Å; T24-H27 CarbonylContact O-C 3.42Å; T24-H27 PolarHBondContact O-N 3.46Å; T24-H27 WeakPolarHBondContact OG1-CB 3.5Å; T24-H27 PolarHBondContact OG1-N 3.13Å |
| 28 | V | 93 | Very high | 91.8 | Very high | 67 Ų | 67 | 88 Ų | 88 | 41% | 0.406 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 152.9 | 174.7 | -56.8 | 0 | 0 | 0 | 0 | 111 | V20 L21 V22 | V20-V28 HydrophobicContact CG1-CB 4.01Å; V20-V28 HydrophobicContact CG1-CG1 4.42Å; L21-V28 CarbonylContact O-C 3.48Å; L21-V28 VanDerWaalsContact O-CA 3.31Å; L21-V28 WeakPolarHBondContact O-CA 3.41Å; V22-V28 HydrophobicContact CG1-CG1 4.43Å; V22-V28 HydrophobicContact CG2-CG1 4.09Å |
| 29 | K | 92 | Very high | 91.4 | Very high | 122 Ų | 122 | 81.4 Ų | 81.4 | 53% | 0.53 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 136.1 | 173.4 | -65.7 | -173.9 | 176.8 | -170.9 | 0 | 109.6 | L21 | L21-K29 HydrophobicContact CB-CB 4.43Å; L21-K29 PolarHBondContact N-O 2.99Å; L21-K29 PolarHBondContact O-N 2.96Å |
| 30 | I | 92.9 | Very high | 90.8 | Very high | 44 Ų | 44 | 82.6 Ų | 82.6 | 23% | 0.226 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 134.4 | 172.8 | -58 | 173 | 0 | 0 | 0 | 107.8 | M2 L5 H12 L15 F33 | M2-I30 HydrophobicContact CE-CD1 3.64Å; L5-I30 HydrophobicContact CD1-CD1 3.85Å; L5-I30 HydrophobicContact CG-CD1 4.43Å; H12-I30 WeakPolarHBondContact CD2-CG2 3.48Å; L15-I30 HydrophobicContact CD1-CD1 4.03Å; L15-I30 HydrophobicContact CD1-CG1 4.21Å; L15-I30 HydrophobicContact CD1-CG2 3.88Å; I30-F33 HydrophobicContact CB-CZ 4.3Å; I30-F33 HydrophobicContact CG2-CE2 4.43Å; I30-F33 HydrophobicContact CG2-CZ 3.99Å; I30-F33 WeakPolarHBondContact O-CE2 3.18Å |
| 31 | T | 92.3 | Very high | 89.9 | Confident | 53 Ų | 53 | 84.6 Ų | 84.6 | 33% | 0.325 | 48% | 0.477 | S | S | . | . | trans | -125.1 | 178.1 | 179.7 | -168.7 | 0 | 0 | 0 | 0 | 110.8 | H12 N19 L21 | H12-T31 PolarHBondContact NE2-O 2.79Å; N19-T31 HydrophobicContact CB-CG2 4.4Å; N19-T31 WeakPolarHBondContact O-CG2 3.35Å; N19-T31 PolarHBondContact O-N 3.03Å; L21-T31 HydrophobicContact CD1-CG2 4.14Å; L21-T31 HydrophobicContact CD2-CG2 4.15Å; L21-T31 HydrophobicContact CG-CG2 3.85Å | ||
| 32 | D | 91.2 | Very high | 88.9 | Confident | 82 Ų | 82 | 89.1 Ų | 89.1 | 44% | 0.439 | 50% | 0.496 | S | S | . | . | trans | 56.4 | 73.1 | 176.4 | -164.9 | 5.1 | 0 | 0 | 0 | 114.4 | H12 N19 G34 | H12-D32 PolarHBondContact CE1-O 3.39Å; H12-D32 PolarHBondContact NE2-O 3.38Å; N19-D32 HydrophobicContact CB-CB 4.49Å; D32-G34 PolarHBondContact O-N 2.67Å; D32-G34 PolarHBondContact OD1-N 3.39Å | ||
| 33 | F | 91.3 | Very high | 87.8 | Confident | 89 Ų | 89 | 88.2 Ų | 88.2 | 39% | 0.39 | 49% | 0.485 | S | S | . | . | trans | -88.2 | 18.1 | 177.2 | -68 | -94.9 | 0 | 0 | 0 | 112.7 | L5 L10 H12 I30 L35 A36 | L5-F33 HydrophobicContact CD2-CE1 3.95Å; L5-F33 HydrophobicContact CD2-CZ 4.41Å; L10-F33 HydrophobicContact CD2-CD1 3.96Å; L10-F33 HydrophobicContact CD2-CE1 3.77Å; H12-F33 AromaticContact CD2-CD1 3.61Å; H12-F33 AromaticContact CD2-CE1 3.53Å; H12-F33 AromaticContact CD2-CZ 3.99Å; I30-F33 HydrophobicContact CB-CZ 4.3Å; I30-F33 HydrophobicContact CG2-CE2 4.43Å; I30-F33 HydrophobicContact CG2-CZ 3.99Å; I30-F33 WeakPolarHBondContact O-CE2 3.18Å; F33-L35 PolarHBondContact O-N 3.27Å; F33-L35 VanDerWaalsContact O-N 3.13Å; F33-A36 HydrophobicContact CB-CB 3.85Å; F33-A36 HydrophobicContact CD1-CB 3.84Å; F33-A36 HydrophobicContact CG-CB 4.35Å; F33-A36 VanDerWaalsContact O-CB 3.27Å; F33-A36 WeakPolarHBondContact O-CB 3.15Å; F33-A36 PolarHBondContact O-N 2.65Å | ||
| 34 | G | 90.3 | Very high | 86.8 | Confident | 67 Ų | 67 | 90 Ų | 90 | 69% | 0.691 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -24 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D32 | D32-G34 PolarHBondContact O-N 2.67Å; D32-G34 PolarHBondContact OD1-N 3.39Å |
| 35 | L | 88.9 | Confident | 85.8 | Confident | 90 Ų | 90 | 93.6 Ų | 93.6 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 4.3 | 175.6 | -62.1 | 177.9 | 0 | 0 | 0 | 113.2 | H12 R13 D14 F33 | H12-L35 CarbonylContact O-C 3.53Å; R13-L35 HydrophobicContact CB-CB 4.32Å; R13-L35 WeakPolarHBondContact CB-O 3.27Å; R13-L35 WeakPolarHBondContact CD-O 3.45Å; R13-L35 PolarHBondContact NE-O 3.02Å; D14-L35 HydrophobicContact CB-CD1 4.01Å; F33-L35 PolarHBondContact O-N 3.27Å; F33-L35 VanDerWaalsContact O-N 3.13Å |
| 36 | A | 90.5 | Very high | 85.3 | Confident | 31 Ų | 31 | 91.7 Ų | 91.7 | 26% | 0.256 | 48% | 0.484 | S | S | . | . | trans | -70.8 | 145.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L10 V11 H12 F33 | L10-A36 HydrophobicContact CD1-CB 4.18Å; V11-A36 CarbonylContact O-C 3.5Å; V11-A36 WeakPolarHBondContact O-CA 3.42Å; H12-A36 WeakPolarHBondContact O-CA 3.41Å; H12-A36 PolarHBondContact O-N 3.23Å; F33-A36 HydrophobicContact CB-CB 3.85Å; F33-A36 HydrophobicContact CD1-CB 3.84Å; F33-A36 HydrophobicContact CG-CB 4.35Å; F33-A36 VanDerWaalsContact O-CB 3.27Å; F33-A36 WeakPolarHBondContact O-CB 3.15Å; F33-A36 PolarHBondContact O-N 2.65Å | ||
| 37 | K | 88.8 | Confident | 84.5 | Confident | 77 Ų | 77 | 90.2 Ų | 90.2 | 34% | 0.335 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.3 | 176.2 | -170.8 | 179.5 | 175.8 | -166.8 | 0 | 109.9 | V11 E43 Y46 | V11-K37 PolarHBondContact N-O 3.43Å; V11-K37 PolarHBondContact O-N 3.12Å; K37-E43 IonicContact NZ-OE1 3.25Å; K37-E43 PolarHBondContact NZ-OE1 2.92Å; K37-Y46 HydrophobicContact CD-CD2 4.28Å; K37-Y46 HydrophobicContact CD-CE2 3.92Å |
| 38 | L | 88.1 | Confident | 83.7 | Confident | 119 Ų | 119 | 89.7 Ų | 89.7 | 62% | 0.623 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 129.4 | 167.8 | -169.7 | 72.7 | 0 | 0 | 0 | 108.5 | R8 L10 | R8-L38 WeakPolarHBondContact O-CD1 3.3Å; L10-L38 HydrophobicContact CD1-CB 4.48Å; L10-L38 HydrophobicContact CD1-CD1 4.31Å |
| 39 | L | 85.9 | Confident | 82.7 | Confident | 23 Ų | 23 | 95.6 Ų | 95.6 | 12% | 0.12 | 51% | 0.51 | C | S | . | . | P | Polyproline II helix | trans | -84.8 | 130.7 | 175 | -54.6 | 175.4 | 0 | 0 | 0 | 109.7 | R9 V11 E43 Y46 | R9-L39 HydrophobicContact CB-CB 4.23Å; R9-L39 PolarHBondContact O-N 3.14Å; V11-L39 HydrophobicContact CG2-CD1 3.83Å; V11-L39 HydrophobicContact CG2-CD2 4.21Å; V11-L39 HydrophobicContact CG2-CG 4Å; L39-E43 WeakPolarHBondContact CA-OE2 3.42Å; L39-E43 HydrophobicContact CB-CB 4.15Å; L39-Y46 HydrophobicContact CD2-CD2 3.84Å; L39-Y46 HydrophobicContact CD2-CG 4.23Å |
| 40 | G | 81.2 | Confident | 80.9 | Confident | 35 Ų | 35 | 93.3 Ų | 93.3 | 36% | 0.361 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 164.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E42 E43 | G40-E42 PolarHBondContact O-N 3.21Å; G40-E42 VanDerWaalsContact O-N 3.14Å; G40-E43 PolarHBondContact N-OE2 3.39Å; G40-E43 PolarHBondContact O-N 3.06Å |
| 41 | A | 74.1 | Confident | 79.4 | Confident | 88 Ų | 88 | 94.9 Ų | 94.9 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R9 | R9-A41 PolarHBondContact NH1-O 3.18Š|
| 42 | E | 75.5 | Confident | 77 | Confident | 191 Ų | 191 | 106 Ų | 106 | 89% | 0.893 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -15.4 | 179.4 | -54.7 | -158.8 | 148.9 | 0 | 0 | 113.7 | G40 K44 | G40-E42 PolarHBondContact O-N 3.21Å; G40-E42 VanDerWaalsContact O-N 3.14Å; E42-K44 PolarHBondContact O-N 3.25Å |
| 43 | E | 72.4 | Confident | 76.2 | Confident | 81 Ų | 81 | 107.3 Ų | 107.3 | 38% | 0.379 | 60% | 0.6 | S | S | . | * | trans | -85.3 | 91.8 | 176.1 | -69.4 | 179.1 | 138.5 | 0 | 0 | 108.9 | K37 L39 G40 | K37-E43 IonicContact NZ-OE1 3.25Å; K37-E43 PolarHBondContact NZ-OE1 2.92Å; L39-E43 WeakPolarHBondContact CA-OE2 3.42Å; L39-E43 HydrophobicContact CB-CB 4.15Å; G40-E43 PolarHBondContact N-OE2 3.39Å; G40-E43 PolarHBondContact O-N 3.06Å | ||
| 44 | K | 69.2 | Low | 75.5 | Confident | 195 Ų | 195 | 108.2 Ų | 108.2 | 85% | 0.848 | 61% | 0.611 | S | S | * | * | trans | -73 | -29.8 | 179.2 | -69.3 | -173.6 | 179.6 | 179.3 | 0 | 113.4 | E42 | E42-K44 PolarHBondContact O-N 3.25Š| ||
| 45 | E | 73.6 | Confident | 74.6 | Confident | 141 Ų | 141 | 110.5 Ų | 110.5 | 66% | 0.659 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -137.2 | 143 | -178.3 | -71 | -177.2 | -174.5 | 0 | 0 | 110 | H47 | E45-H47 IonicContact OE2-CE1 3.68Å; E45-H47 IonicContact OE2-NE2 3.85Å |
| 46 | Y | 77.8 | Confident | 73.8 | Confident | 73 Ų | 73 | 111.7 Ų | 111.7 | 29% | 0.286 | 61% | 0.614 | S | S | . | * | trans | -94.8 | 116.9 | 171.1 | 177.1 | -103.8 | 0 | 0 | 0 | 109.6 | V11 R13 K37 L39 A48 | V11-Y46 HydrophobicContact CG1-CD1 4.03Å; V11-Y46 HydrophobicContact CG1-CE1 4.27Å; V11-Y46 HydrophobicContact CG1-CG 4.46Å; V11-Y46 HydrophobicContact CG2-CD1 4.47Å; V11-Y46 HydrophobicContact CG2-CG 4.14Å; R13-Y46 WeakPolarHBondContact CD-OH 3.43Å; K37-Y46 HydrophobicContact CD-CD2 4.28Å; K37-Y46 HydrophobicContact CD-CE2 3.92Å; L39-Y46 HydrophobicContact CD2-CD2 3.84Å; L39-Y46 HydrophobicContact CD2-CG 4.23Å; Y46-A48 HydrophobicContact CE1-CB 3.8Å | ||
| 47 | H | 74.6 | Confident | 72.8 | Confident | 145 Ų | 145 | 116.8 Ų | 116.8 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | trans | -97.7 | 113.7 | 168.3 | -60.8 | -75.4 | 0 | 0 | 0 | 109 | E45 E49 | E45-H47 IonicContact OE2-CE1 3.68Å; E45-H47 IonicContact OE2-NE2 3.85Å; H47-E49 PolarHBondContact O-N 3.08Å | ||
| 48 | A | 74.4 | Confident | 71.7 | Confident | 70 Ų | 70 | 119.4 Ų | 119.4 | 58% | 0.579 | 66% | 0.656 | S | S | * | * | trans | -69.5 | 124.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y46 G50 | Y46-A48 HydrophobicContact CE1-CB 3.8Å; A48-G50 PolarHBondContact O-N 3.41Å; A48-G50 VanDerWaalsContact O-N 3.08Å | ||
| 49 | E | 71.3 | Confident | 70.5 | Confident | 192 Ų | 192 | 119.4 Ų | 119.4 | 90% | 0.897 | 66% | 0.659 | S | S | * | * | trans | -64.2 | 112.5 | 165 | -66.7 | -169.6 | 174.5 | 0 | 0 | 107.3 | H47 G51 | H47-E49 PolarHBondContact O-N 3.08Å; E49-G51 PolarHBondContact O-N 3.45Å | ||
| 50 | G | 55.1 | Low | 69.3 | Low | 73 Ų | 73 | 126.8 Ų | 126.8 | 75% | 0.753 | 70% | 0.7 | S | S | * | * | trans | -55.3 | 123.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110 | A48 K52 | A48-G50 PolarHBondContact O-N 3.41Å; A48-G50 VanDerWaalsContact O-N 3.08Å; G50-K52 PolarHBondContact O-N 3.2Å | ||
| 51 | G | 60.9 | Low | 68.3 | Low | 78 Ų | 78 | 134.5 Ų | 134.5 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -59.1 | 134.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | E49 | E49-G51 PolarHBondContact O-N 3.45Š| ||
| 52 | K | 41.2 | Very low | 67.8 | Low | 287 Ų | 287 | 138.7 Ų | 138.7 | 100% | 1.248 | 73% | 0.729 | S | S | * | * | trans | -56 | 0 | 171.8 | -69.1 | -174.8 | 178.2 | -179.5 | 0 | 111.9 | G50 | G50-K52 PolarHBondContact O-N 3.2Š|
Retrieved 52 of 52 residues in 119.7 ms
(Link to these results)