| 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 | 42.6 | Very low | 76.1 | Confident | 227 Ų | 227 | 109.3 Ų | 109.3 | 100% | 1.118 | 57% | 0.569 | S | S | * | * | 0 | 115.2 | 0 | -39.9 | -53.3 | -176.6 | 0 | 0 | 107.5 | E3 | M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.44Å | |||
| 2 | K | 51.3 | Low | 77.7 | Confident | 183 Ų | 183 | 108.2 Ų | 108.2 | 80% | 0.796 | 55% | 0.552 | S | S | * | * | trans | -97.8 | 72.3 | 171.3 | -143.1 | 179.1 | -171 | -177.5 | 0 | 106.5 | N4 A5 | K2-N4 PolarHBondContact O-N 3.18Å; K2-A5 HydrophobicContact CB-CB 4.11Å; K2-A5 HydrophobicContact CD-CB 4.33Å; K2-A5 HydrophobicContact CG-CB 4.33Å; K2-A5 WeakPolarHBondContact O-CB 3.12Å; K2-A5 PolarHBondContact O-N 3.15Å | ||
| 3 | E | 56 | Low | 79 | Confident | 118 Ų | 118 | 103.4 Ų | 103.4 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -59.5 | -26.9 | -172 | -165.5 | 158.1 | -176.4 | 0 | 0 | 112 | M1 | M1-E3 VanDerWaalsContact C-N 3.33Å; M1-E3 PolarHBondContact O-N 3.44Å |
| 4 | N | 58.1 | Low | 80.1 | Confident | 120 Ų | 120 | 97.9 Ų | 97.9 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -76.9 | -13.9 | 174.1 | -58.8 | 72.4 | 0 | 0 | 0 | 115.2 | K2 R6 C7 | K2-N4 PolarHBondContact O-N 3.18Å; N4-R6 PolarHBondContact O-N 3.39Å; N4-C7 PolarHBondContact O-N 2.97Å |
| 5 | A | 65 | Low | 81.1 | Confident | 76 Ų | 76 | 103.1 Ų | 103.1 | 63% | 0.628 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -70 | -6.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | K2 | K2-A5 HydrophobicContact CB-CB 4.11Å; K2-A5 HydrophobicContact CD-CB 4.33Å; K2-A5 HydrophobicContact CG-CB 4.33Å; K2-A5 WeakPolarHBondContact O-CB 3.12Å; K2-A5 PolarHBondContact O-N 3.15Å |
| 6 | R | 86.5 | Confident | 82 | Confident | 211 Ų | 211 | 101.2 Ų | 101.2 | 80% | 0.796 | 51% | 0.511 | S | S | * | . | G | 310 helix | trans | -110.9 | -14.5 | -176.3 | -67 | -176 | 174.7 | -172.8 | -2.5 | 114.5 | N4 | N4-R6 PolarHBondContact O-N 3.39Š|
| 7 | C | 94.6 | Very high | 82.8 | Confident | 22 Ų | 22 | 95.6 Ų | 95.6 | 15% | 0.149 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -113.7 | 159.2 | -175 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | N4 E11 F13 C44 | N4-C7 PolarHBondContact O-N 2.97Å; C7-E11 HydrophobicContact CB-CB 3.71Å; C7-F13 PolarHBondContact SG-N 2.94Å; C7-F13 VanDerWaalsContact SG-N 3.39Å; C7-C44 WeakPolarHBondContact CA-SG 3.01Å; C7-C44 HydrophobicContact CB-CB 3.74Å; C7-C44 WeakPolarHBondContact CB-SG 3.45Å; C7-C44 WeakPolarHBondContact SG-CB 3.39Å; C7-C44 CovalentContact SG-SG 2.04Å; C7-C44 PolarHBondContact SG-SG 2.81Å |
| 8 | G | 94.6 | Very high | 83.5 | Confident | 33 Ų | 33 | 93.4 Ų | 93.4 | 34% | 0.34 | 48% | 0.477 | S | S | . | . | trans | -71.7 | 179.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | N10 E11 | G8-N10 PolarHBondContact O-N 2.04Å; G8-E11 WeakPolarHBondContact CA-OE2 3.42Å; G8-E11 PolarHBondContact N-OE2 2.87Å; G8-E11 WeakPolarHBondContact O-CB 3.09Å; G8-E11 PolarHBondContact O-N 2.99Å | ||
| 9 | P | 95.4 | Very high | 84.2 | Confident | 112 Ų | 112 | 90.8 Ų | 90.8 | 73% | 0.727 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 135.6 | 173 | -23.6 | 34.2 | 0 | 0 | 0 | 112 | E11 | P9-E11 PolarHBondContact O-N 2.87Š|
| 10 | N | 96.2 | Very high | 84.8 | Confident | 69 Ų | 69 | 87.6 Ų | 87.6 | 37% | 0.369 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | 27.3 | -179.7 | -46 | -54.4 | 0 | 0 | 0 | 114.6 | G8 E47 Y50 C58 | G8-N10 PolarHBondContact O-N 2.04Å; N10-E47 WeakPolarHBondContact O-CG 3.39Å; N10-E47 PolarHBondContact O-N 3.36Å; N10-Y50 HydrophobicContact CB-CD1 3.48Å; N10-Y50 VanDerWaalsContact CB-CD1 3.48Å; N10-Y50 HydrophobicContact CB-CD2 4.43Å; N10-Y50 HydrophobicContact CB-CE1 3.49Å; N10-Y50 VanDerWaalsContact CB-CE1 3.49Å; N10-Y50 HydrophobicContact CB-CE2 4.44Å; N10-Y50 HydrophobicContact CB-CG 3.99Å; N10-Y50 WeakPolarHBondContact ND2-CE1 3.18Å; N10-Y50 WeakPolarHBondContact OD1-CE1 3.4Å; N10-Y50 PolarHBondContact OD1-OH 2.93Å; N10-C58 HydrophobicContact CB-CB 3.9Å; N10-C58 PolarHBondContact ND2-O 3.01Å; N10-C58 VanDerWaalsContact ND2-O 3.11Å; N10-C58 WeakPolarHBondContact O-CB 3.39Å |
| 11 | E | 96.6 | Very high | 85.3 | Confident | 31 Ų | 31 | 85.2 Ų | 85.2 | 15% | 0.145 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 146.2 | 172.9 | -68 | -174.1 | 143.2 | 0 | 0 | 111.6 | C7 G8 P9 C44 Q45 R52 C58 | C7-E11 HydrophobicContact CB-CB 3.71Å; G8-E11 WeakPolarHBondContact CA-OE2 3.42Å; G8-E11 PolarHBondContact N-OE2 2.87Å; G8-E11 WeakPolarHBondContact O-CB 3.09Å; G8-E11 PolarHBondContact O-N 2.99Å; P9-E11 PolarHBondContact O-N 2.87Å; E11-C44 HydrophobicContact CB-CB 4.27Å; E11-C44 WeakPolarHBondContact OE2-CB 3.45Å; E11-Q45 CarbonylContact C-O 3.5Å; E11-Q45 WeakPolarHBondContact CA-O 3.38Å; E11-R52 IonicContact OE1-NH2 3.9Å; E11-C58 HydrophobicContact CG-CB 4.24Å; E11-C58 WeakPolarHBondContact CG-SG 3.48Å |
| 12 | R | 95 | Very high | 87.8 | Confident | 96 Ų | 96 | 77.9 Ų | 77.9 | 36% | 0.362 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 146.4 | 165 | 59.5 | 169.9 | -172.7 | -81.1 | -3.3 | 111.4 | C44 Q45 E47 P48 | R12-C44 WeakPolarHBondContact O-CA 3.46Å; R12-Q45 PolarHBondContact N-O 3.39Å; R12-Q45 PolarHBondContact O-N 2.04Å; R12-E47 WeakPolarHBondContact CB-OE1 3.18Å; R12-E47 VanDerWaalsContact CD-OE2 3.3Å; R12-E47 WeakPolarHBondContact CD-OE2 3.5Å; R12-E47 WeakPolarHBondContact CG-OE2 3.48Å; R12-E47 IonicContact CZ-OE2 3.9Å; R12-E47 IonicContact NH1-OE2 2.94Å; R12-E47 PolarHBondContact NH1-OE2 3.05Å; R12-P48 VanDerWaalsContact NH1-CG 3.33Å |
| 13 | F | 94.6 | Very high | 90 | Very high | 46 Ų | 46 | 71 Ų | 71 | 20% | 0.202 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 138.3 | 166.7 | -170 | -95.4 | 0 | 0 | 0 | 109.6 | C7 Y15 I42 | C7-F13 PolarHBondContact SG-N 2.94Å; C7-F13 VanDerWaalsContact SG-N 3.39Å; F13-Y15 HydrophobicContact CE1-CD1 4.18Å; F13-Y15 AromaticContact CE1-CE1 3.89Å; F13-Y15 HydrophobicContact CE1-CE1 3.89Å; F13-Y15 HydrophobicContact CE1-CE2 4.29Å; F13-Y15 AromaticContact CE1-CZ 3.95Å; F13-I42 HydrophobicContact CE1-CG2 4.41Å; F13-I42 HydrophobicContact CE2-CG2 4.48Å; F13-I42 HydrophobicContact CZ-CG2 3.76Å |
| 14 | T | 94.5 | Very high | 91.9 | Very high | 27 Ų | 27 | 65.6 Ų | 65.6 | 17% | 0.166 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 146.7 | 174 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | C16 I42 G43 Q45 | T14-C16 VanDerWaalsContact OG1-C 3.25Å; T14-C16 PolarHBondContact OG1-N 2.83Å; T14-C16 VanDerWaalsContact OG1-N 3.15Å; T14-C16 PolarHBondContact OG1-O 3.49Å; T14-I42 WeakPolarHBondContact O-CA 3.25Å; T14-G43 WeakPolarHBondContact CG2-O 3.48Å; T14-G43 PolarHBondContact N-O 2.83Å; T14-G43 PolarHBondContact O-N 3.3Å; T14-Q45 HydrophobicContact CG2-CB 4.31Å; T14-Q45 HydrophobicContact CG2-CG 3.77Å |
| 15 | Y | 95.5 | Very high | 93.7 | Very high | 175 Ų | 175 | 63.5 Ų | 63.5 | 69% | 0.686 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -18 | 172 | -65.9 | -79.6 | 0 | 0 | 0 | 113 | F13 I42 | F13-Y15 HydrophobicContact CE1-CD1 4.18Å; F13-Y15 AromaticContact CE1-CE1 3.89Å; F13-Y15 HydrophobicContact CE1-CE1 3.89Å; F13-Y15 HydrophobicContact CE1-CE2 4.29Å; F13-Y15 AromaticContact CE1-CZ 3.95Å; Y15-I42 WeakPolarHBondContact O-CG1 3.44Å |
| 16 | C | 96.1 | Very high | 95.2 | Very high | 73 Ų | 73 | 61.2 Ų | 61.2 | 49% | 0.493 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 103.3 | 168.4 | 173.9 | 0 | 0 | 0 | 0 | 108.3 | T14 C40 | T14-C16 VanDerWaalsContact OG1-C 3.25Å; T14-C16 PolarHBondContact OG1-N 2.83Å; T14-C16 VanDerWaalsContact OG1-N 3.15Å; T14-C16 PolarHBondContact OG1-O 3.49Å; C16-C40 HydrophobicContact CB-CB 3.68Å; C16-C40 WeakPolarHBondContact CB-SG 3.46Å; C16-C40 WeakPolarHBondContact SG-CB 3.4Å; C16-C40 CovalentContact SG-SG 2.04Å; C16-C40 PolarHBondContact SG-SG 2.96Å |
| 17 | G | 95.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 53.7 Ų | 53.7 | 7% | 0.072 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 167.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C40 V41 | G17-C40 CarbonylContact O-C 3.57Å; G17-C40 WeakPolarHBondContact O-CA 3.49Å; G17-V41 PolarHBondContact N-O 2.93Å; G17-V41 PolarHBondContact O-N 3.26Å |
| 18 | T | 96 | Very high | 95.5 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 135.7 | -179.6 | 179.7 | 0 | 0 | 0 | 0 | 112 | C20 P21 Q45 | T18-C20 PolarHBondContact O-N 3.17Å; T18-C20 WeakPolarHBondContact OG1-CA 3.07Å; T18-C20 PolarHBondContact OG1-N 3.13Å; T18-C20 PolarHBondContact OG1-O 2.83Å; T18-P21 HydrophobicContact CG2-CB 4.48Å; T18-Q45 VanDerWaalsContact N-OE1 3.14Å; T18-Q45 PolarHBondContact O-NE2 3.32Å |
| 19 | A | 95.6 | Very high | 95.4 | Very high | 45 Ų | 45 | 57.6 Ų | 57.6 | 37% | 0.372 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -68.3 | -11 | 165 | 0 | 0 | 0 | 0 | 0 | 112.9 | P21 V41 | A19-P21 WeakPolarHBondContact O-CD 3.39Å; A19-V41 HydrophobicContact CB-CG2 3.69Å |
| 20 | C | 96 | Very high | 95.2 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 17% | 0.169 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -126.1 | 69.2 | -169.9 | -168 | 0 | 0 | 0 | 0 | 109.4 | T18 K34 C36 | T18-C20 PolarHBondContact O-N 3.17Å; T18-C20 WeakPolarHBondContact OG1-CA 3.07Å; T18-C20 PolarHBondContact OG1-N 3.13Å; T18-C20 PolarHBondContact OG1-O 2.83Å; C20-K34 VanDerWaalsContact SG-CD 3.59Å; C20-K34 WeakPolarHBondContact SG-CE 3.36Å; C20-C36 HydrophobicContact CB-CB 3.41Å; C20-C36 VanDerWaalsContact CB-CB 3.41Å; C20-C36 WeakPolarHBondContact CB-SG 3.3Å; C20-C36 WeakPolarHBondContact SG-CB 3.49Å; C20-C36 CovalentContact SG-SG 2.05Å; C20-C36 PolarHBondContact SG-SG 2.04Å |
| 21 | P | 95.4 | Very high | 95 | Very high | 39 Ų | 39 | 60.8 Ų | 60.8 | 25% | 0.253 | 33% | 0.329 | S | S | . | . | trans | -63.2 | 147.3 | -176.8 | 26 | -33.9 | 0 | 0 | 0 | 111.3 | T18 A19 K34 | T18-P21 HydrophobicContact CG2-CB 4.48Å; A19-P21 WeakPolarHBondContact O-CD 3.39Å; P21-K34 PolarHBondContact O-NZ 3Å; P21-K34 VanDerWaalsContact O-NZ 3.08Å | ||
| 22 | T | 95.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 66.5 Ų | 66.5 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | trans | -68.6 | 132.3 | 168.6 | -49.9 | 0 | 0 | 0 | 0 | 109.4 | D26 V51 R52 | T22-D26 WeakPolarHBondContact CA-OD2 3.5Å; T22-D26 HydrophobicContact CG2-CB 3.89Å; T22-V51 HydrophobicContact CG2-CB 4.48Å; T22-V51 HydrophobicContact CG2-CG1 3.64Å; T22-V51 WeakPolarHBondContact O-CA 3.06Å; T22-V51 WeakPolarHBondContact O-CB 3.42Å; T22-R52 PolarHBondContact O-N 3.01Å | ||
| 23 | T | 97.1 | Very high | 94.5 | Very high | 38 Ų | 38 | 68.8 Ų | 68.8 | 23% | 0.233 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -115.8 | 169.5 | -177.4 | 64.7 | 0 | 0 | 0 | 0 | 111.1 | D25 D26 V27 R52 | T23-D25 PolarHBondContact O-N 3.47Å; T23-D25 PolarHBondContact OG1-N 3.26Å; T23-D26 PolarHBondContact N-OD2 3.11Å; T23-D26 WeakPolarHBondContact O-CB 3.37Å; T23-D26 PolarHBondContact O-N 2.92Å; T23-D26 PolarHBondContact OG1-N 3.38Å; T23-D26 PolarHBondContact OG1-OD2 3.17Å; T23-V27 PolarHBondContact O-N 2.89Å; T23-R52 CarbonylContact C-O 3.49Å; T23-R52 WeakPolarHBondContact CA-O 3.47Å; T23-R52 WeakPolarHBondContact CB-O 3.48Å; T23-R52 HydrophobicContact CG2-CB 4.45Å |
| 24 | C | 97.3 | Very high | 94.4 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.3 | -25.4 | 169.8 | -77.2 | 0 | 0 | 0 | 0 | 113.5 | V27 R28 R52 C64 | C24-V27 PolarHBondContact O-N 2.05Å; C24-R28 WeakPolarHBondContact O-CG 3.03Å; C24-R28 PolarHBondContact O-N 2.91Å; C24-R52 PolarHBondContact N-O 3.23Å; C24-C64 WeakPolarHBondContact CA-SG 3.13Å; C24-C64 HydrophobicContact CB-CB 3.65Å; C24-C64 WeakPolarHBondContact CB-SG 3.44Å; C24-C64 VanDerWaalsContact SG-CA 3.5Å; C24-C64 WeakPolarHBondContact SG-CB 3.03Å; C24-C64 CovalentContact SG-SG 2.05Å; C24-C64 PolarHBondContact SG-SG 2.79Å |
| 25 | D | 95.2 | Very high | 94.4 | Very high | 77 Ų | 77 | 77.9 Ų | 77.9 | 41% | 0.412 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -67.5 | -43.4 | 174.1 | -170.3 | 70.8 | 0 | 0 | 0 | 111.4 | T23 V27 R28 N29 | T23-D25 PolarHBondContact O-N 3.47Å; T23-D25 PolarHBondContact OG1-N 3.26Å; D25-V27 PolarHBondContact O-N 3.29Å; D25-R28 PolarHBondContact O-N 3.43Å; D25-N29 VanDerWaalsContact CG-ND2 3.26Å; D25-N29 WeakPolarHBondContact O-CB 3.04Å; D25-N29 PolarHBondContact O-N 2.98Å; D25-N29 PolarHBondContact O-ND2 3.32Å; D25-N29 PolarHBondContact OD1-ND2 2.91Å; D25-N29 PolarHBondContact OD2-ND2 2.75Å; D25-N29 VanDerWaalsContact OD2-ND2 3.08Å |
| 26 | D | 95.2 | Very high | 94.4 | Very high | 28 Ų | 28 | 72.7 Ų | 72.7 | 15% | 0.15 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.1 | -31.6 | 175.8 | -56.1 | -56.6 | 0 | 0 | 0 | 111.8 | T22 T23 N29 K34 | T22-D26 WeakPolarHBondContact CA-OD2 3.5Å; T22-D26 HydrophobicContact CG2-CB 3.89Å; T23-D26 PolarHBondContact N-OD2 3.11Å; T23-D26 WeakPolarHBondContact O-CB 3.37Å; T23-D26 PolarHBondContact O-N 2.92Å; T23-D26 PolarHBondContact OG1-N 3.38Å; T23-D26 PolarHBondContact OG1-OD2 3.17Å; D26-N29 CarbonylContact O-C 3.52Å; D26-K34 WeakPolarHBondContact OD1-CD 3.19Å; D26-K34 IonicContact OD1-NZ 3.36Å; D26-K34 PolarHBondContact OD1-NZ 3.35Å; D26-K34 IonicContact OD2-NZ 2.91Å; D26-K34 PolarHBondContact OD2-NZ 2.98Å |
| 27 | V | 95 | Very high | 94.4 | Very high | 53 Ų | 53 | 73.4 Ų | 73.4 | 32% | 0.321 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -69.8 | -36.4 | 174.8 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | T23 C24 D25 V51 K61 | T23-V27 PolarHBondContact O-N 2.89Å; C24-V27 PolarHBondContact O-N 2.05Å; D25-V27 PolarHBondContact O-N 3.29Å; V27-V51 HydrophobicContact CG2-CG1 4.09Å; V27-V51 HydrophobicContact CG2-CG2 4.16Å; V27-K61 HydrophobicContact CG1-CB 4.48Å; V27-K61 HydrophobicContact CG2-CB 4.3Å; V27-K61 HydrophobicContact CG2-CD 4.41Å; V27-K61 HydrophobicContact CG2-CG 4.01Å |
| 28 | R | 93.6 | Very high | 94.4 | Very high | 63 Ų | 63 | 82.1 Ų | 82.1 | 24% | 0.238 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -77.9 | -29.5 | 178.3 | -66.6 | 175.3 | -161.3 | 130.5 | -2.2 | 112.7 | C24 D25 P30 P65 I67 | C24-R28 WeakPolarHBondContact O-CG 3.03Å; C24-R28 PolarHBondContact O-N 2.91Å; D25-R28 PolarHBondContact O-N 3.43Å; R28-P30 WeakPolarHBondContact O-CD 3.22Å; R28-P65 PolarHBondContact NE-O 3.08Å; R28-P65 VanDerWaalsContact NH2-CG 3.33Å; R28-P65 PolarHBondContact NH2-O 3.36Å; R28-I67 VanDerWaalsContact CZ-CG1 3.47Å |
| 29 | N | 92.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 85.6 Ų | 85.6 | 39% | 0.39 | 45% | 0.454 | S | S | . | . | trans | -112.4 | 60.9 | -177 | -60.1 | -52.5 | 0 | 0 | 0 | 111.2 | D25 D26 N31 Y32 | D25-N29 VanDerWaalsContact CG-ND2 3.26Å; D25-N29 WeakPolarHBondContact O-CB 3.04Å; D25-N29 PolarHBondContact O-N 2.98Å; D25-N29 PolarHBondContact O-ND2 3.32Å; D25-N29 PolarHBondContact OD1-ND2 2.91Å; D25-N29 PolarHBondContact OD2-ND2 2.75Å; D25-N29 VanDerWaalsContact OD2-ND2 3.08Å; D26-N29 CarbonylContact O-C 3.52Å; N29-N31 PolarHBondContact O-N 2.77Å; N29-Y32 WeakPolarHBondContact O-CB 3.42Å; N29-Y32 PolarHBondContact O-N 3.22Å | ||
| 30 | P | 90.7 | Very high | 94.6 | Very high | 97 Ų | 97 | 86.8 Ų | 86.8 | 63% | 0.63 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -18.7 | -173.2 | 28.2 | -36.9 | 0 | 0 | 0 | 113.8 | R28 | R28-P30 WeakPolarHBondContact O-CD 3.22Š|
| 31 | N | 92.1 | Very high | 94.6 | Very high | 151 Ų | 151 | 88.7 Ų | 88.7 | 81% | 0.807 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6.4 | 177.6 | -61.9 | -38 | 0 | 0 | 0 | 113.1 | N29 N33 | N29-N31 PolarHBondContact O-N 2.77Å; N31-N33 PolarHBondContact O-N 3.25Å |
| 32 | Y | 91.5 | Very high | 94.6 | Very high | 152 Ų | 152 | 92.4 Ų | 92.4 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | trans | -79.7 | 112.5 | 177 | -179.3 | -111.5 | 0 | 0 | 0 | 109.9 | N29 K34 | N29-Y32 WeakPolarHBondContact O-CB 3.42Å; N29-Y32 PolarHBondContact O-N 3.22Å; Y32-K34 VanDerWaalsContact C-N 3.27Å; Y32-K34 HydrophobicContact CD1-CB 4.08Å; Y32-K34 HydrophobicContact CE1-CB 3.98Å; Y32-K34 HydrophobicContact CE1-CG 4.34Å; Y32-K34 PolarHBondContact O-N 3.31Å | ||
| 33 | N | 90 | Very high | 94.5 | Very high | 143 Ų | 143 | 89.8 Ų | 89.8 | 77% | 0.765 | 47% | 0.474 | S | S | * | . | trans | -77.4 | 79.1 | 176.3 | -72.3 | -29.5 | 0 | 0 | 0 | 110.4 | N31 Q35 | N31-N33 PolarHBondContact O-N 3.25Å; N33-Q35 PolarHBondContact O-N 3.42Å; N33-Q35 VanDerWaalsContact O-N 3.17Å | ||
| 34 | K | 92.5 | Very high | 94.5 | Very high | 75 Ų | 75 | 89.7 Ų | 89.7 | 33% | 0.326 | 47% | 0.474 | S | S | . | . | trans | -59.2 | 117.2 | 173.1 | -170.5 | -173.3 | -156.9 | 166.3 | 0 | 109.9 | C20 P21 D26 Y32 | C20-K34 VanDerWaalsContact SG-CD 3.59Å; C20-K34 WeakPolarHBondContact SG-CE 3.36Å; P21-K34 PolarHBondContact O-NZ 3Å; P21-K34 VanDerWaalsContact O-NZ 3.08Å; D26-K34 WeakPolarHBondContact OD1-CD 3.19Å; D26-K34 IonicContact OD1-NZ 3.36Å; D26-K34 PolarHBondContact OD1-NZ 3.35Å; D26-K34 IonicContact OD2-NZ 2.91Å; D26-K34 PolarHBondContact OD2-NZ 2.98Å; Y32-K34 VanDerWaalsContact C-N 3.27Å; Y32-K34 HydrophobicContact CD1-CB 4.08Å; Y32-K34 HydrophobicContact CE1-CB 3.98Å; Y32-K34 HydrophobicContact CE1-CG 4.34Å; Y32-K34 PolarHBondContact O-N 3.31Å | ||
| 35 | Q | 94.2 | Very high | 94.4 | Very high | 190 Ų | 190 | 90.8 Ų | 90.8 | 89% | 0.888 | 48% | 0.479 | S | S | * | . | trans | -79.7 | 121.9 | 172.2 | -61.9 | -154.4 | -7.2 | 0 | 0 | 109.6 | N33 | N33-Q35 PolarHBondContact O-N 3.42Å; N33-Q35 VanDerWaalsContact O-N 3.17Å | ||
| 36 | C | 95.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 88.1 Ų | 88.1 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | trans | -120.4 | 147.3 | 178.1 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | C20 | C20-C36 HydrophobicContact CB-CB 3.41Å; C20-C36 VanDerWaalsContact CB-CB 3.41Å; C20-C36 WeakPolarHBondContact CB-SG 3.3Å; C20-C36 WeakPolarHBondContact SG-CB 3.49Å; C20-C36 CovalentContact SG-SG 2.05Å; C20-C36 PolarHBondContact SG-SG 2.04Å | ||
| 37 | T | 96.7 | Very high | 94.6 | Very high | 89 Ų | 89 | 89.3 Ų | 89.3 | 55% | 0.546 | 47% | 0.471 | S | S | . | . | trans | -78.4 | 159.4 | 170 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | E39 | T37-E39 PolarHBondContact O-N 2.85Š| ||
| 38 | M | 95 | Very high | 94.5 | Very high | 189 Ų | 189 | 91.6 Ų | 91.6 | 93% | 0.931 | 49% | 0.487 | S | S | * | . | trans | -86.9 | 19.3 | 171.6 | -64.6 | -61 | -65.8 | 0 | 0 | 112.4 | ||||
| 39 | E | 96.8 | Very high | 94.6 | Very high | 129 Ų | 129 | 90.9 Ų | 90.9 | 60% | 0.603 | 50% | 0.499 | S | S | * | . | trans | -71.7 | 135.4 | -180 | -175.9 | 175.8 | -131.8 | 0 | 0 | 111.2 | T37 | T37-E39 PolarHBondContact O-N 2.85Š| ||
| 40 | C | 97.6 | Very high | 94.8 | Very high | 70 Ų | 70 | 90.8 Ų | 90.8 | 47% | 0.473 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 128.5 | 174.2 | -66.6 | 0 | 0 | 0 | 0 | 110.9 | C16 G17 | C16-C40 HydrophobicContact CB-CB 3.68Å; C16-C40 WeakPolarHBondContact CB-SG 3.46Å; C16-C40 WeakPolarHBondContact SG-CB 3.4Å; C16-C40 CovalentContact SG-SG 2.04Å; C16-C40 PolarHBondContact SG-SG 2.96Å; G17-C40 CarbonylContact O-C 3.57Å; G17-C40 WeakPolarHBondContact O-CA 3.49Å |
| 41 | V | 95.9 | Very high | 95.2 | Very high | 64 Ų | 64 | 86.2 Ų | 86.2 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.6 | 166.3 | -179.4 | 0 | 0 | 0 | 0 | 109.3 | G17 A19 | G17-V41 PolarHBondContact N-O 2.93Å; G17-V41 PolarHBondContact O-N 3.26Å; A19-V41 HydrophobicContact CB-CG2 3.69Å |
| 42 | I | 95.5 | Very high | 95.5 | Very high | 117 Ų | 117 | 82.1 Ų | 82.1 | 60% | 0.6 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.3 | 172 | -61.9 | 163 | 0 | 0 | 0 | 108.2 | F13 T14 Y15 | F13-I42 HydrophobicContact CE1-CG2 4.41Å; F13-I42 HydrophobicContact CE2-CG2 4.48Å; F13-I42 HydrophobicContact CZ-CG2 3.76Å; T14-I42 WeakPolarHBondContact O-CA 3.25Å; Y15-I42 WeakPolarHBondContact O-CG1 3.44Å |
| 43 | G | 94.9 | Very high | 95.7 | Very high | 19 Ų | 19 | 76.1 Ų | 76.1 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 156 | -166.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | T14 | T14-G43 WeakPolarHBondContact CG2-O 3.48Å; T14-G43 PolarHBondContact N-O 2.83Å; T14-G43 PolarHBondContact O-N 3.3Å |
| 44 | C | 96.1 | Very high | 95.9 | Very high | 35 Ų | 35 | 75.9 Ų | 75.9 | 24% | 0.236 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 131.8 | 177.7 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | C7 E11 R12 R52 | C7-C44 WeakPolarHBondContact CA-SG 3.01Å; C7-C44 HydrophobicContact CB-CB 3.74Å; C7-C44 WeakPolarHBondContact CB-SG 3.45Å; C7-C44 WeakPolarHBondContact SG-CB 3.39Å; C7-C44 CovalentContact SG-SG 2.04Å; C7-C44 PolarHBondContact SG-SG 2.81Å; E11-C44 HydrophobicContact CB-CB 4.27Å; E11-C44 WeakPolarHBondContact OE2-CB 3.45Å; R12-C44 WeakPolarHBondContact O-CA 3.46Å; C44-R52 PolarHBondContact O-NH2 3.09Å; C44-R52 VanDerWaalsContact O-NH2 3.13Å |
| 45 | Q | 96.2 | Very high | 96.1 | Very high | 27 Ų | 27 | 78.3 Ų | 78.3 | 13% | 0.126 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153.9 | 177.2 | -62.9 | -153.1 | -18 | 0 | 0 | 111 | E11 R12 T14 T18 E47 | E11-Q45 CarbonylContact C-O 3.5Å; E11-Q45 WeakPolarHBondContact CA-O 3.38Å; R12-Q45 PolarHBondContact N-O 3.39Å; R12-Q45 PolarHBondContact O-N 2.04Å; T14-Q45 HydrophobicContact CG2-CB 4.31Å; T14-Q45 HydrophobicContact CG2-CG 3.77Å; T18-Q45 VanDerWaalsContact N-OE1 3.14Å; T18-Q45 PolarHBondContact O-NE2 3.32Å; Q45-E47 PolarHBondContact O-N 2.97Å |
| 46 | C | 97.7 | Very high | 96.1 | Very high | 21 Ų | 21 | 74.4 Ų | 74.4 | 14% | 0.142 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.9 | 139.5 | 176.5 | -62 | 0 | 0 | 0 | 0 | 111.5 | R52 C58 | C46-R52 WeakPolarHBondContact SG-CG 3.47Å; C46-C58 WeakPolarHBondContact CA-SG 3.45Å; C46-C58 HydrophobicContact CB-CB 3.75Å; C46-C58 WeakPolarHBondContact CB-SG 3.07Å; C46-C58 VanDerWaalsContact SG-CA 3.55Å; C46-C58 WeakPolarHBondContact SG-CB 3.5Å; C46-C58 CovalentContact SG-SG 2.04Å; C46-C58 PolarHBondContact SG-SG 3.38Å |
| 47 | E | 95.9 | Very high | 96.2 | Very high | 54 Ų | 54 | 75.8 Ų | 75.8 | 25% | 0.252 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 159.5 | 172.8 | -69.9 | -72.6 | -158.2 | 0 | 0 | 111.6 | N10 R12 Q45 G49 Y50 | N10-E47 WeakPolarHBondContact O-CG 3.39Å; N10-E47 PolarHBondContact O-N 3.36Å; R12-E47 WeakPolarHBondContact CB-OE1 3.18Å; R12-E47 VanDerWaalsContact CD-OE2 3.3Å; R12-E47 WeakPolarHBondContact CD-OE2 3.5Å; R12-E47 WeakPolarHBondContact CG-OE2 3.48Å; R12-E47 IonicContact CZ-OE2 3.9Å; R12-E47 IonicContact NH1-OE2 2.94Å; R12-E47 PolarHBondContact NH1-OE2 3.05Å; Q45-E47 PolarHBondContact O-N 2.97Å; E47-G49 PolarHBondContact O-N 3.06Å; E47-Y50 HydrophobicContact CB-CD2 3.82Å; E47-Y50 HydrophobicContact CB-CE2 4.28Å; E47-Y50 WeakPolarHBondContact O-CB 3.43Å; E47-Y50 PolarHBondContact O-N 3.26Å |
| 48 | P | 93.6 | Very high | 96.3 | Very high | 101 Ų | 101 | 71.8 Ų | 71.8 | 66% | 0.656 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 135.5 | -179 | -13.7 | 32.2 | 0 | 0 | 0 | 109.3 | R12 Y50 | R12-P48 VanDerWaalsContact NH1-CG 3.33Å; P48-Y50 VanDerWaalsContact C-N 3.3Å |
| 49 | G | 94.8 | Very high | 96.4 | Very high | 47 Ų | 47 | 64.2 Ų | 64.2 | 49% | 0.485 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -9 | -175 | 0 | 0 | 0 | 0 | 0 | 114.9 | E47 | E47-G49 PolarHBondContact O-N 3.06Š|
| 50 | Y | 98.1 | Very high | 96.5 | Very high | 71 Ų | 71 | 62 Ų | 62 | 28% | 0.278 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 151.5 | 172.6 | -65.8 | -103.4 | 0 | 0 | 0 | 111.3 | N10 E47 P48 V59 M60 | N10-Y50 HydrophobicContact CB-CD1 3.48Å; N10-Y50 VanDerWaalsContact CB-CD1 3.48Å; N10-Y50 HydrophobicContact CB-CD2 4.43Å; N10-Y50 HydrophobicContact CB-CE1 3.49Å; N10-Y50 VanDerWaalsContact CB-CE1 3.49Å; N10-Y50 HydrophobicContact CB-CE2 4.44Å; N10-Y50 HydrophobicContact CB-CG 3.99Å; N10-Y50 WeakPolarHBondContact ND2-CE1 3.18Å; N10-Y50 WeakPolarHBondContact OD1-CE1 3.4Å; N10-Y50 PolarHBondContact OD1-OH 2.93Å; E47-Y50 HydrophobicContact CB-CD2 3.82Å; E47-Y50 HydrophobicContact CB-CE2 4.28Å; E47-Y50 WeakPolarHBondContact O-CB 3.43Å; E47-Y50 PolarHBondContact O-N 3.26Å; P48-Y50 VanDerWaalsContact C-N 3.3Å; Y50-V59 CarbonylContact C-O 3.53Å; Y50-V59 VanDerWaalsContact CA-O 3.25Å; Y50-V59 WeakPolarHBondContact CA-O 3.45Å; Y50-V59 VanDerWaalsContact CD1-C 3.44Å; Y50-M60 HydrophobicContact CD1-CG 4.2Å; Y50-M60 HydrophobicContact CE1-CG 3.71Å |
| 51 | V | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 156.8 | 179.1 | -62.7 | 0 | 0 | 0 | 0 | 109.8 | T22 V27 C58 V59 K61 C64 | T22-V51 HydrophobicContact CG2-CB 4.48Å; T22-V51 HydrophobicContact CG2-CG1 3.64Å; T22-V51 WeakPolarHBondContact O-CA 3.06Å; T22-V51 WeakPolarHBondContact O-CB 3.42Å; V27-V51 HydrophobicContact CG2-CG1 4.09Å; V27-V51 HydrophobicContact CG2-CG2 4.16Å; V51-C58 WeakPolarHBondContact O-CA 3.41Å; V51-V59 HydrophobicContact CG2-CG2 4.35Å; V51-V59 PolarHBondContact N-O 2.05Å; V51-V59 PolarHBondContact O-N 2.89Å; V51-K61 HydrophobicContact CG1-CD 4.42Å; V51-K61 HydrophobicContact CG1-CG 3.72Å; V51-K61 HydrophobicContact CG2-CG 4.29Å; V51-C64 WeakPolarHBondContact CG2-SG 3.47Å |
| 52 | R | 98.1 | Very high | 96.4 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 25% | 0.245 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.1 | 177.7 | -70.7 | -168.3 | 173.3 | -168.3 | -0.1 | 111.4 | E11 T22 T23 C24 C44 C46 N57 | E11-R52 IonicContact OE1-NH2 3.9Å; T22-R52 PolarHBondContact O-N 3.01Å; T23-R52 CarbonylContact C-O 3.49Å; T23-R52 WeakPolarHBondContact CA-O 3.47Å; T23-R52 WeakPolarHBondContact CB-O 3.48Å; T23-R52 HydrophobicContact CG2-CB 4.45Å; C24-R52 PolarHBondContact N-O 3.23Å; C44-R52 PolarHBondContact O-NH2 3.09Å; C44-R52 VanDerWaalsContact O-NH2 3.13Å; C46-R52 WeakPolarHBondContact SG-CG 3.47Å; R52-N57 WeakPolarHBondContact CA-O 3.48Å |
| 53 | N | 97 | Very high | 96.5 | Very high | 27 Ų | 27 | 66 Ų | 66 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | trans | -84.8 | 179.8 | 166.9 | 73.5 | 5.4 | 0 | 0 | 0 | 111.3 | Q55 N56 N57 V59 | N53-Q55 PolarHBondContact ND2-OE1 3.34Å; N53-Q55 PolarHBondContact O-N 3.35Å; N53-Q55 WeakPolarHBondContact OD1-CA 3.48Å; N53-Q55 PolarHBondContact OD1-N 2.93Å; N53-N56 PolarHBondContact O-N 2.8Å; N53-N56 PolarHBondContact OD1-N 3.35Å; N53-N57 PolarHBondContact N-O 3.05Å; N53-N57 PolarHBondContact OD1-N 3.04Å; N53-N57 PolarHBondContact OD1-O 3.31Å; N53-V59 HydrophobicContact CB-CG2 4.1Å | ||
| 54 | E | 94.6 | Very high | 96.6 | Very high | 138 Ų | 138 | 65.8 Ų | 65.8 | 65% | 0.645 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -25 | -179.5 | -67 | 174 | -172.5 | 0 | 0 | 113.3 | N56 | E54-N56 PolarHBondContact O-N 3.18Š|
| 55 | Q | 95.7 | Very high | 96.5 | Very high | 126 Ų | 126 | 67.8 Ų | 67.8 | 59% | 0.589 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 10.2 | 174.7 | -62.8 | 72.8 | 37.8 | 0 | 0 | 112.5 | N53 N57 | N53-Q55 PolarHBondContact ND2-OE1 3.34Å; N53-Q55 PolarHBondContact O-N 3.35Å; N53-Q55 WeakPolarHBondContact OD1-CA 3.48Å; N53-Q55 PolarHBondContact OD1-N 2.93Å; Q55-N57 VanDerWaalsContact C-N 3.26Å; Q55-N57 PolarHBondContact O-N 3.37Å; Q55-N57 PolarHBondContact O-ND2 3.2Å; Q55-N57 VanDerWaalsContact O-ND2 3.11Å |
| 56 | N | 95.2 | Very high | 96.3 | Very high | 107 Ų | 107 | 74 Ų | 74 | 57% | 0.572 | 40% | 0.395 | S | S | * | . | S | Bend | trans | 59.4 | 29.7 | -175.8 | -72.4 | -68.3 | 0 | 0 | 0 | 114.3 | N53 E54 | N53-N56 PolarHBondContact O-N 2.8Å; N53-N56 PolarHBondContact OD1-N 3.35Å; E54-N56 PolarHBondContact O-N 3.18Å |
| 57 | N | 97.2 | Very high | 95.9 | Very high | 94 Ų | 94 | 77 Ų | 77 | 50% | 0.503 | 41% | 0.408 | S | S | . | . | trans | -101 | 146.3 | 174.8 | -55.5 | 166.3 | 0 | 0 | 0 | 110.7 | R52 N53 Q55 V59 | R52-N57 WeakPolarHBondContact CA-O 3.48Å; N53-N57 PolarHBondContact N-O 3.05Å; N53-N57 PolarHBondContact OD1-N 3.04Å; N53-N57 PolarHBondContact OD1-O 3.31Å; Q55-N57 VanDerWaalsContact C-N 3.26Å; Q55-N57 PolarHBondContact O-N 3.37Å; Q55-N57 PolarHBondContact O-ND2 3.2Å; Q55-N57 VanDerWaalsContact O-ND2 3.11Å; N57-V59 PolarHBondContact O-N 3.11Å | ||
| 58 | C | 98.2 | Very high | 95.5 | Very high | 6 Ų | 6 | 79.9 Ų | 79.9 | 4% | 0.041 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 109.9 | 174.6 | -66.8 | 0 | 0 | 0 | 0 | 110.5 | N10 E11 C46 V51 | N10-C58 HydrophobicContact CB-CB 3.9Å; N10-C58 PolarHBondContact ND2-O 3.01Å; N10-C58 VanDerWaalsContact ND2-O 3.11Å; N10-C58 WeakPolarHBondContact O-CB 3.39Å; E11-C58 HydrophobicContact CG-CB 4.24Å; E11-C58 WeakPolarHBondContact CG-SG 3.48Å; C46-C58 WeakPolarHBondContact CA-SG 3.45Å; C46-C58 HydrophobicContact CB-CB 3.75Å; C46-C58 WeakPolarHBondContact CB-SG 3.07Å; C46-C58 VanDerWaalsContact SG-CA 3.55Å; C46-C58 WeakPolarHBondContact SG-CB 3.5Å; C46-C58 CovalentContact SG-SG 2.04Å; C46-C58 PolarHBondContact SG-SG 3.38Å; V51-C58 WeakPolarHBondContact O-CA 3.41Å |
| 59 | V | 98.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 77.9 Ų | 77.9 | 18% | 0.182 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 152.2 | 179.9 | -60.5 | 0 | 0 | 0 | 0 | 110.3 | Y50 V51 N53 N57 H63 | Y50-V59 CarbonylContact C-O 3.53Å; Y50-V59 VanDerWaalsContact CA-O 3.25Å; Y50-V59 WeakPolarHBondContact CA-O 3.45Å; Y50-V59 VanDerWaalsContact CD1-C 3.44Å; V51-V59 HydrophobicContact CG2-CG2 4.35Å; V51-V59 PolarHBondContact N-O 2.05Å; V51-V59 PolarHBondContact O-N 2.89Å; N53-V59 HydrophobicContact CB-CG2 4.1Å; N57-V59 PolarHBondContact O-N 3.11Å; V59-H63 HydrophobicContact CB-CB 4.38Å |
| 60 | M | 97.7 | Very high | 94.8 | Very high | 82 Ų | 82 | 78.8 Ų | 78.8 | 40% | 0.404 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 146.6 | 171.5 | -62.3 | 173.8 | 67.9 | 0 | 0 | 109.4 | Y50 S62 H63 | Y50-M60 HydrophobicContact CD1-CG 4.2Å; Y50-M60 HydrophobicContact CE1-CG 3.71Å; M60-S62 PolarHBondContact O-N 3.02Å; M60-S62 VanDerWaalsContact O-N 3.09Å; M60-H63 WeakPolarHBondContact O-CA 3.4Å; M60-H63 WeakPolarHBondContact O-CB 3.36Å; M60-H63 PolarHBondContact O-N 2.79Å |
| 61 | K | 95.9 | Very high | 94.6 | Very high | 114 Ų | 114 | 78.7 Ų | 78.7 | 50% | 0.496 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -51 | -37.2 | 177 | -65.7 | -179.9 | -178.6 | -176.1 | 0 | 113 | V27 V51 H63 C64 | V27-K61 HydrophobicContact CG1-CB 4.48Å; V27-K61 HydrophobicContact CG2-CB 4.3Å; V27-K61 HydrophobicContact CG2-CD 4.41Å; V27-K61 HydrophobicContact CG2-CG 4.01Å; V51-K61 HydrophobicContact CG1-CD 4.42Å; V51-K61 HydrophobicContact CG1-CG 3.72Å; V51-K61 HydrophobicContact CG2-CG 4.29Å; K61-H63 PolarHBondContact O-N 3.31Å; K61-C64 WeakPolarHBondContact O-CB 3.06Å; K61-C64 PolarHBondContact O-N 3.08Å |
| 62 | S | 95.6 | Very high | 94.4 | Very high | 92 Ų | 92 | 83.3 Ų | 83.3 | 64% | 0.643 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -67.8 | -16 | 177.5 | 56.2 | 0 | 0 | 0 | 0 | 114.6 | M60 | M60-S62 PolarHBondContact O-N 3.02Å; M60-S62 VanDerWaalsContact O-N 3.09Å |
| 63 | H | 96.9 | Very high | 94.3 | Very high | 128 Ų | 128 | 86.1 Ų | 86.1 | 59% | 0.593 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -99.2 | 7.3 | 177.7 | -64.4 | 129.3 | 0 | 0 | 0 | 112.7 | V59 M60 K61 | V59-H63 HydrophobicContact CB-CB 4.38Å; M60-H63 WeakPolarHBondContact O-CA 3.4Å; M60-H63 WeakPolarHBondContact O-CB 3.36Å; M60-H63 PolarHBondContact O-N 2.79Å; K61-H63 PolarHBondContact O-N 3.31Å |
| 64 | C | 96.9 | Very high | 94.2 | Very high | 16 Ų | 16 | 89.3 Ų | 89.3 | 11% | 0.108 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -67.6 | 131.2 | 170.3 | -72.1 | 0 | 0 | 0 | 0 | 109.9 | C24 V51 K61 | C24-C64 WeakPolarHBondContact CA-SG 3.13Å; C24-C64 HydrophobicContact CB-CB 3.65Å; C24-C64 WeakPolarHBondContact CB-SG 3.44Å; C24-C64 VanDerWaalsContact SG-CA 3.5Å; C24-C64 WeakPolarHBondContact SG-CB 3.03Å; C24-C64 CovalentContact SG-SG 2.05Å; C24-C64 PolarHBondContact SG-SG 2.79Å; V51-C64 WeakPolarHBondContact CG2-SG 3.47Å; K61-C64 WeakPolarHBondContact O-CB 3.06Å; K61-C64 PolarHBondContact O-N 3.08Å |
| 65 | P | 93.9 | Very high | 94.1 | Very high | 76 Ų | 76 | 86.3 Ų | 86.3 | 49% | 0.494 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 146.5 | -179.6 | 17.5 | -20 | 0 | 0 | 0 | 110.3 | R28 I67 | R28-P65 PolarHBondContact NE-O 3.08Å; R28-P65 VanDerWaalsContact NH2-CG 3.33Å; R28-P65 PolarHBondContact NH2-O 3.36Å; P65-I67 PolarHBondContact O-N 3.5Å |
| 66 | I | 92.6 | Very high | 93.9 | Very high | 159 Ų | 159 | 84.6 Ų | 84.6 | 82% | 0.815 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -76.2 | 123.4 | 169.7 | -54.7 | -57.5 | 0 | 0 | 0 | 107.7 | ||
| 67 | I | 89.5 | Confident | 93.8 | Very high | 83 Ų | 83 | 85.5 Ų | 85.5 | 43% | 0.426 | 47% | 0.474 | S | S | . | . | trans | -110.5 | 128.7 | 173 | -61.2 | -173.5 | 0 | 0 | 0 | 107.3 | R28 P65 G69 | R28-I67 VanDerWaalsContact CZ-CG1 3.47Å; P65-I67 PolarHBondContact O-N 3.5Å; I67-G69 PolarHBondContact O-N 3.46Å | ||
| 68 | P | 86.7 | Confident | 93.5 | Very high | 115 Ų | 115 | 89.7 Ų | 89.7 | 75% | 0.747 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 135.2 | 172.3 | 24.7 | -31 | 0 | 0 | 0 | 109.8 | ||
| 69 | G | 85.7 | Confident | 93.1 | Very high | 58 Ų | 58 | 94.5 Ų | 94.5 | 60% | 0.598 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -64.6 | 171.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I67 | I67-G69 PolarHBondContact O-N 3.46Š|
| 70 | P | 88.3 | Confident | 92.6 | Very high | 66 Ų | 66 | 99.9 Ų | 99.9 | 43% | 0.429 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 147.7 | 178.6 | 27.4 | -34.1 | 0 | 0 | 0 | 111.6 | E74 I75 | P70-E74 WeakPolarHBondContact CA-OE2 3.45Å; P70-E74 HydrophobicContact CB-CB 4.05Å; P70-E74 WeakPolarHBondContact CB-OE2 3.32Å; P70-I75 HydrophobicContact CB-CG1 4.07Å; P70-I75 HydrophobicContact CG-CD1 4.17Å; P70-I75 HydrophobicContact CG-CG1 3.84Å |
| 71 | T | 93.7 | Very high | 91.5 | Very high | 69 Ų | 69 | 103.1 Ų | 103.1 | 42% | 0.423 | 55% | 0.547 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 165.1 | 173.8 | 80.6 | 0 | 0 | 0 | 0 | 111.2 | E73 E74 I75 | T71-E73 VanDerWaalsContact CB-OE2 3.26Å; T71-E73 WeakPolarHBondContact CB-OE2 3.37Å; T71-E73 PolarHBondContact O-N 3.06Å; T71-E73 PolarHBondContact OG1-N 3.07Å; T71-E73 PolarHBondContact OG1-OE2 3.38Å; T71-E74 PolarHBondContact N-OE2 3.41Å; T71-E74 PolarHBondContact O-N 3.34Å; T71-E74 PolarHBondContact OG1-N 3.26Å; T71-I75 VanDerWaalsContact O-CG1 3.32Å; T71-I75 WeakPolarHBondContact O-CG1 3.41Å; T71-I75 PolarHBondContact O-N 3.42Å |
| 72 | V | 94.4 | Very high | 90.3 | Very high | 98 Ų | 98 | 102.3 Ų | 102.3 | 59% | 0.594 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -59.8 | -39.1 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | I75 L76 | V72-I75 PolarHBondContact O-N 3.36Å; V72-L76 HydrophobicContact CG1-CD1 4.05Å; V72-L76 HydrophobicContact CG1-CG 4.36Å; V72-L76 WeakPolarHBondContact O-CB 3.05Å; V72-L76 VanDerWaalsContact O-CG 3.29Å; V72-L76 WeakPolarHBondContact O-CG 3.3Å; V72-L76 PolarHBondContact O-N 3.17Å |
| 73 | E | 96.1 | Very high | 89 | Confident | 124 Ų | 124 | 101.9 Ų | 101.9 | 58% | 0.579 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61 | -47.6 | 175.9 | -59.6 | 74.9 | -162.9 | 0 | 0 | 111.3 | T71 I75 L76 E77 | T71-E73 VanDerWaalsContact CB-OE2 3.26Å; T71-E73 WeakPolarHBondContact CB-OE2 3.37Å; T71-E73 PolarHBondContact O-N 3.06Å; T71-E73 PolarHBondContact OG1-N 3.07Å; T71-E73 PolarHBondContact OG1-OE2 3.38Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-I75 PolarHBondContact O-N 2.97Å; E73-L76 PolarHBondContact O-N 3.27Å; E73-E77 WeakPolarHBondContact O-CG 3.42Å; E73-E77 PolarHBondContact O-N 3.06Å |
| 74 | E | 95 | Very high | 87.6 | Confident | 94 Ų | 94 | 105.2 Ų | 105.2 | 44% | 0.439 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.5 | -38.5 | 177.5 | -69.2 | 176.3 | 146 | 0 | 0 | 112.4 | P70 T71 R78 | P70-E74 WeakPolarHBondContact CA-OE2 3.45Å; P70-E74 HydrophobicContact CB-CB 4.05Å; P70-E74 WeakPolarHBondContact CB-OE2 3.32Å; T71-E74 PolarHBondContact N-OE2 3.41Å; T71-E74 PolarHBondContact O-N 3.34Å; T71-E74 PolarHBondContact OG1-N 3.26Å; E74-R78 WeakPolarHBondContact O-CG 3.29Å; E74-R78 PolarHBondContact O-N 3.22Å |
| 75 | I | 92 | Very high | 87.1 | Confident | 76 Ų | 76 | 109.7 Ų | 109.7 | 39% | 0.39 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.4 | -48.6 | 175.2 | -66.5 | 166.2 | 0 | 0 | 0 | 110.1 | P70 T71 V72 E73 E77 R78 L79 | P70-I75 HydrophobicContact CB-CG1 4.07Å; P70-I75 HydrophobicContact CG-CD1 4.17Å; P70-I75 HydrophobicContact CG-CG1 3.84Å; T71-I75 VanDerWaalsContact O-CG1 3.32Å; T71-I75 WeakPolarHBondContact O-CG1 3.41Å; T71-I75 PolarHBondContact O-N 3.42Å; V72-I75 PolarHBondContact O-N 3.36Å; E73-I75 VanDerWaalsContact C-N 3.33Å; E73-I75 PolarHBondContact O-N 2.97Å; I75-E77 VanDerWaalsContact C-N 3.32Å; I75-E77 PolarHBondContact O-N 2.8Å; I75-R78 PolarHBondContact O-N 3.35Å; I75-L79 HydrophobicContact CG2-CD1 4.05Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.19Å; I75-L79 VanDerWaalsContact O-N 3.07Å |
| 76 | L | 91.5 | Very high | 86.8 | Confident | 90 Ų | 90 | 111.5 Ų | 111.5 | 47% | 0.471 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -63.9 | -36 | -179.3 | -71.2 | 175.7 | 0 | 0 | 0 | 112.2 | V72 E73 L79 K80 | V72-L76 HydrophobicContact CG1-CD1 4.05Å; V72-L76 HydrophobicContact CG1-CG 4.36Å; V72-L76 WeakPolarHBondContact O-CB 3.05Å; V72-L76 VanDerWaalsContact O-CG 3.29Å; V72-L76 WeakPolarHBondContact O-CG 3.3Å; V72-L76 PolarHBondContact O-N 3.17Å; E73-L76 PolarHBondContact O-N 3.27Å; L76-L79 PolarHBondContact O-N 2.94Å; L76-K80 VanDerWaalsContact O-CG 3.3Å; L76-K80 WeakPolarHBondContact O-CG 3.26Å; L76-K80 PolarHBondContact O-N 2.94Å |
| 77 | E | 93.9 | Very high | 86.5 | Confident | 125 Ų | 125 | 108.8 Ų | 108.8 | 58% | 0.584 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.7 | -44.1 | 174.3 | -75.8 | -177.9 | 174.4 | 0 | 0 | 112.4 | E73 I75 L79 K80 | E73-E77 WeakPolarHBondContact O-CG 3.42Å; E73-E77 PolarHBondContact O-N 3.06Å; I75-E77 VanDerWaalsContact C-N 3.32Å; I75-E77 PolarHBondContact O-N 2.8Å; E77-L79 VanDerWaalsContact C-N 3.27Å; E77-L79 PolarHBondContact O-N 3.25Å; E77-K80 PolarHBondContact O-N 3.22Å |
| 78 | R | 89.9 | Confident | 86.3 | Confident | 183 Ų | 183 | 110.4 Ų | 110.4 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.9 | -35.4 | 174.5 | -70.9 | 179.1 | -176.5 | -167.2 | 2.6 | 112.4 | E74 I75 | E74-R78 WeakPolarHBondContact O-CG 3.29Å; E74-R78 PolarHBondContact O-N 3.22Å; I75-R78 PolarHBondContact O-N 3.35Å |
| 79 | L | 89.7 | Confident | 86.2 | Confident | 106 Ų | 106 | 110.1 Ų | 110.1 | 56% | 0.555 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -74 | -26.4 | 177.8 | -67.7 | 175.4 | 0 | 0 | 0 | 113.3 | I75 L76 E77 S82 | I75-L79 HydrophobicContact CG2-CD1 4.05Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.19Å; I75-L79 VanDerWaalsContact O-N 3.07Å; L76-L79 PolarHBondContact O-N 2.94Å; E77-L79 VanDerWaalsContact C-N 3.27Å; E77-L79 PolarHBondContact O-N 3.25Å; L79-S82 PolarHBondContact O-OG 2.83Å; L79-S82 VanDerWaalsContact O-OG 3.06Å |
| 80 | K | 88.4 | Confident | 86.3 | Confident | 144 Ų | 144 | 113.5 Ų | 113.5 | 63% | 0.626 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -70.4 | -30 | 176.4 | -73.6 | 168.5 | -171.8 | 175.3 | 0 | 112.6 | L76 E77 S82 A83 | L76-K80 VanDerWaalsContact O-CG 3.3Å; L76-K80 WeakPolarHBondContact O-CG 3.26Å; L76-K80 PolarHBondContact O-N 2.94Å; E77-K80 PolarHBondContact O-N 3.22Å; K80-S82 PolarHBondContact O-N 3.26Å; K80-A83 PolarHBondContact O-N 3.39Å |
| 81 | L | 73.9 | Confident | 86.1 | Confident | 149 Ų | 149 | 116.9 Ų | 116.9 | 78% | 0.78 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -19.8 | 179.4 | -76 | 168.3 | 0 | 0 | 0 | 113.8 | ||
| 82 | S | 72 | Confident | 85.6 | Confident | 98 Ų | 98 | 120.6 Ų | 120.6 | 69% | 0.685 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 6.7 | 175.6 | 62.3 | 0 | 0 | 0 | 0 | 114.1 | L79 K80 | L79-S82 PolarHBondContact O-OG 2.83Å; L79-S82 VanDerWaalsContact O-OG 3.06Å; K80-S82 PolarHBondContact O-N 3.26Å |
| 83 | A | 67.5 | Low | 84.8 | Confident | 83 Ų | 83 | 122.5 Ų | 122.5 | 69% | 0.686 | 64% | 0.641 | S | S | * | * | trans | -107.8 | 15.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | K80 | K80-A83 PolarHBondContact O-N 3.39Š| ||
| 84 | V | 67.9 | Low | 83.8 | Confident | 198 Ų | 198 | 122.4 Ų | 122.4 | 100% | 1.2 | 65% | 0.646 | S | S | * | * | trans | -117.9 | 0 | 168.8 | -176.4 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 84 of 84 residues in 54.7 ms
(Link to these results)