| 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 | F | 97.7 | Very high | 98 | Very high | 85 Ų | 85 | 62.1 Ų | 62.1 | 37% | 0.373 | 34% | 0.344 | S | S | . | . | 0 | 137 | 0 | 175.6 | -99 | 0 | 0 | 0 | 109.5 | V40 L41 F50 V54 Q57 | F1-V40 HydrophobicContact CD1-CB 3.88Å; F1-V40 HydrophobicContact CD1-CG1 4.11Å; F1-V40 HydrophobicContact CD1-CG2 4.35Å; F1-V40 HydrophobicContact CE1-CB 4.33Å; F1-V40 HydrophobicContact CE1-CG2 4.33Å; F1-V40 PolarHBondContact O-N 3.04Å; F1-L41 HydrophobicContact CB-CB 4.21Å; F1-L41 PolarHBondContact N-O 2.88Å; F1-L41 PolarHBondContact O-N 3.28Å; F1-F50 HydrophobicContact CB-CD2 4.4Å; F1-F50 HydrophobicContact CB-CE2 3.94Å; F1-F50 HydrophobicContact CD2-CE2 4.43Å; F1-F50 HydrophobicContact CG-CE2 4.43Å; F1-V54 HydrophobicContact CD1-CG2 4.15Å; F1-V54 HydrophobicContact CD2-CG2 4.16Å; F1-V54 HydrophobicContact CE1-CG2 4.36Å; F1-V54 HydrophobicContact CE2-CG2 4.33Å; F1-V54 HydrophobicContact CG-CG2 4.08Å; F1-V54 HydrophobicContact CZ-CG2 4.43Å; F1-Q57 HydrophobicContact CE1-CG 3.85Å; F1-Q57 HydrophobicContact CZ-CG 4.39Å | |||
| 2 | G | 98 | Very high | 98 | Very high | 30 Ų | 30 | 62.5 Ų | 62.5 | 31% | 0.309 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 162.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | R38 | G2-R38 CarbonylContact C-O 3.54Å; G2-R38 WeakPolarHBondContact CA-O 3.23Å |
| 3 | S | 98.3 | Very high | 98 | Very high | 22 Ų | 22 | 57.8 Ų | 57.8 | 15% | 0.154 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 160.6 | -179.5 | 52.9 | 0 | 0 | 0 | 0 | 110.4 | F35 F37 R38 | S3-F35 WeakPolarHBondContact O-CE2 3.46Å; S3-F35 WeakPolarHBondContact OG-CZ 3.36Å; S3-F37 WeakPolarHBondContact O-CD2 3.42Å; S3-R38 PolarHBondContact N-O 3.02Å; S3-R38 PolarHBondContact O-N 3.3Å |
| 4 | F | 98.6 | Very high | 97.9 | Very high | 96 Ų | 96 | 58.4 Ų | 58.4 | 42% | 0.421 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 158.7 | -179 | 70.8 | -93.5 | 0 | 0 | 0 | 111 | A36 E67 T72 | F4-A36 VanDerWaalsContact CA-O 3.31Å; F4-A36 WeakPolarHBondContact CA-O 3.41Å; F4-A36 VanDerWaalsContact CB-O 3.24Å; F4-A36 WeakPolarHBondContact CB-O 3.44Å; F4-E67 HydrophobicContact CE2-CB 4.08Å; F4-T72 HydrophobicContact CB-CG2 4.23Å; F4-T72 WeakPolarHBondContact CB-OG1 3.46Å; F4-T72 HydrophobicContact CD1-CG2 4.08Å; F4-T72 HydrophobicContact CG-CG2 4.44Å |
| 5 | V | 98.4 | Very high | 97.9 | Very high | 13 Ų | 13 | 58.3 Ų | 58.3 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | trans | -131.3 | -94.3 | 168.7 | -171.2 | 0 | 0 | 0 | 0 | 107.2 | F35 A36 N62 G68 | V5-F35 VanDerWaalsContact CB-O 3.28Å; V5-F35 WeakPolarHBondContact CB-O 3.43Å; V5-F35 HydrophobicContact CG2-CD1 3.97Å; V5-F35 HydrophobicContact CG2-CE1 3.71Å; V5-F35 HydrophobicContact CG2-CZ 4.08Å; V5-F35 PolarHBondContact N-O 3.26Å; V5-F35 VanDerWaalsContact N-O 3.14Å; V5-A36 PolarHBondContact N-O 3.15Å; V5-N62 HydrophobicContact CG1-CB 3.94Å; V5-G68 PolarHBondContact O-N 2.99Å | ||
| 6 | D | 98.6 | Very high | 97.9 | Very high | 11 Ų | 11 | 60.9 Ų | 60.9 | 6% | 0.059 | 33% | 0.328 | C | S | . | . | trans | -157 | 176.6 | 174.1 | -145.7 | -33.6 | 0 | 0 | 0 | 110.7 | T8 F12 F35 A36 N62 E67 G68 | D6-T8 PolarHBondContact O-N 2.94Å; D6-F12 HydrophobicContact CB-CB 4.32Å; D6-F35 PolarHBondContact N-O 3.33Å; D6-F35 CarbonylContact O-C 3.2Å; D6-F35 VanDerWaalsContact O-C 3.27Å; D6-A36 VanDerWaalsContact O-CA 3.3Å; D6-A36 WeakPolarHBondContact O-CA 3.29Å; D6-A36 PolarHBondContact O-N 3.5Å; D6-N62 HydrophobicContact CB-CB 4.44Å; D6-E67 WeakPolarHBondContact OD2-CA 3.34Å; D6-G68 PolarHBondContact OD2-N 3.1Å | ||
| 7 | K | 98.4 | Very high | 97.8 | Very high | 90 Ų | 90 | 61.9 Ų | 61.9 | 39% | 0.391 | 34% | 0.339 | S | S | . | . | trans | -58.5 | 132.6 | 173.7 | -62.5 | -176 | -173 | -62.9 | 0 | 109.9 | V9 F12 D71 | K7-V9 HydrophobicContact CB-CG2 4.24Å; K7-V9 PolarHBondContact O-N 3.43Å; K7-F12 HydrophobicContact CB-CD2 3.98Å; K7-F12 HydrophobicContact CB-CE2 4.49Å; K7-D71 IonicContact NZ-OD1 2.67Å; K7-D71 IonicContact NZ-OD2 3.71Å; K7-D71 PolarHBondContact NZ-OD2 2.97Å | ||
| 8 | T | 98.1 | Very high | 97.6 | Very high | 71 Ų | 71 | 64.2 Ų | 64.2 | 44% | 0.436 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -82.6 | 44.3 | -174.6 | 60 | 0 | 0 | 0 | 0 | 113 | D6 P34 | D6-T8 PolarHBondContact O-N 2.94Å; T8-P34 HydrophobicContact CG2-CB 4.34Å; T8-P34 HydrophobicContact CG2-CG 4.44Å; T8-P34 VanDerWaalsContact CG2-O 3.29Å; T8-P34 WeakPolarHBondContact CG2-O 3.4Å |
| 9 | V | 98.3 | Very high | 97.4 | Very high | 77 Ų | 77 | 65.1 Ų | 65.1 | 47% | 0.467 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -131.1 | 155.5 | 177.4 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | K7 F12 V13 | K7-V9 HydrophobicContact CB-CG2 4.24Å; K7-V9 PolarHBondContact O-N 3.43Å; V9-F12 HydrophobicContact CG2-CD2 3.76Å; V9-F12 HydrophobicContact CG2-CE2 4.01Å; V9-F12 PolarHBondContact O-N 3.35Å; V9-V13 PolarHBondContact O-N 3.27Å; V9-V13 VanDerWaalsContact O-N 3.12Å |
| 10 | L | 96.5 | Very high | 97.3 | Very high | 102 Ų | 102 | 64.8 Ų | 64.8 | 53% | 0.534 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 144.9 | 170.4 | -81.3 | 164.9 | 0 | 0 | 0 | 110.3 | V13 T15 L63 | L10-V13 WeakPolarHBondContact CD2-O 3.49Å; L10-V13 WeakPolarHBondContact CG-O 3.41Å; L10-T15 HydrophobicContact CD1-CG2 4.49Å; L10-T15 VanDerWaalsContact CD1-OG1 3.23Å; L10-T15 WeakPolarHBondContact CD1-OG1 3.38Å; L10-T15 HydrophobicContact CG-CG2 3.99Å; L10-L63 HydrophobicContact CD2-CD2 4.41Å |
| 11 | P | 97.4 | Very high | 97.2 | Very high | 86 Ų | 86 | 70.7 Ų | 70.7 | 56% | 0.558 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -90.5 | 5.8 | 3.2 | 36.9 | -35.9 | 0 | 0 | 0 | 114.8 | L63 | P11-L63 WeakPolarHBondContact O-CD2 3.15Š|
| 12 | F | 97.9 | Very high | 97.1 | Very high | 67 Ų | 67 | 68.4 Ų | 68.4 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -39 | -176.2 | -46.3 | -67.6 | 0 | 0 | 0 | 112.2 | D6 K7 V9 N62 L63 D64 | D6-F12 HydrophobicContact CB-CB 4.32Å; K7-F12 HydrophobicContact CB-CD2 3.98Å; K7-F12 HydrophobicContact CB-CE2 4.49Å; V9-F12 HydrophobicContact CG2-CD2 3.76Å; V9-F12 HydrophobicContact CG2-CE2 4.01Å; V9-F12 PolarHBondContact O-N 3.35Å; F12-N62 WeakPolarHBondContact O-CB 3.45Å; F12-L63 WeakPolarHBondContact O-CB 3.41Å; F12-L63 PolarHBondContact O-N 3.4Å; F12-D64 VanDerWaalsContact CA-OD1 3.27Å; F12-D64 WeakPolarHBondContact CA-OD1 3.32Å; F12-D64 VanDerWaalsContact O-OD1 3.1Å |
| 13 | V | 97.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -125.4 | 154.2 | 174.6 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | V9 L10 T15 L20 P34 N62 | V9-V13 PolarHBondContact O-N 3.27Å; V9-V13 VanDerWaalsContact O-N 3.12Å; L10-V13 WeakPolarHBondContact CD2-O 3.49Å; L10-V13 WeakPolarHBondContact CG-O 3.41Å; V13-T15 HydrophobicContact CG2-CG2 4.1Å; V13-T15 PolarHBondContact O-N 3.24Å; V13-L20 HydrophobicContact CG2-CD2 4.45Å; V13-P34 HydrophobicContact CB-CG 4.34Å; V13-P34 HydrophobicContact CG1-CB 3.8Å; V13-P34 HydrophobicContact CG1-CG 4.12Å; V13-N62 HydrophobicContact CG1-CB 3.82Å |
| 14 | N | 97.1 | Very high | 96.7 | Very high | 65 Ų | 65 | 67.7 Ų | 67.7 | 35% | 0.348 | 35% | 0.347 | S | S | . | . | trans | -77.9 | 108.2 | 170 | -172.2 | -30 | 0 | 0 | 0 | 110.5 | H16 K19 | N14-H16 PolarHBondContact O-N 3.09Å; N14-H16 WeakPolarHBondContact OD1-CB 3.37Å; N14-H16 PolarHBondContact OD1-N 3.23Å; N14-K19 HydrophobicContact CB-CB 3.94Å; N14-K19 HydrophobicContact CB-CG 4.31Å | ||
| 15 | T | 97.9 | Very high | 96.2 | Very high | 57 Ų | 57 | 69 Ų | 69 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | trans | -81.7 | 8.8 | -177.3 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | L10 V13 | L10-T15 HydrophobicContact CD1-CG2 4.49Å; L10-T15 VanDerWaalsContact CD1-OG1 3.23Å; L10-T15 WeakPolarHBondContact CD1-OG1 3.38Å; L10-T15 HydrophobicContact CG-CG2 3.99Å; V13-T15 HydrophobicContact CG2-CG2 4.1Å; V13-T15 PolarHBondContact O-N 3.24Å | ||
| 16 | H | 97.4 | Very high | 95.6 | Very high | 101 Ų | 101 | 71.8 Ų | 71.8 | 47% | 0.468 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -60.7 | 133.5 | 169.8 | -170.3 | -84.2 | 0 | 0 | 0 | 109.4 | N14 D18 K19 L20 | N14-H16 PolarHBondContact O-N 3.09Å; N14-H16 WeakPolarHBondContact OD1-CB 3.37Å; N14-H16 PolarHBondContact OD1-N 3.23Å; H16-D18 VanDerWaalsContact C-N 3.27Å; H16-D18 IonicContact CE1-OD2 3.33Å; H16-D18 PolarHBondContact CE1-OD2 3.29Å; H16-D18 PolarHBondContact ND1-N 3.35Å; H16-D18 IonicContact ND1-OD2 3.73Å; H16-D18 PolarHBondContact O-N 3.48Å; H16-D18 VanDerWaalsContact O-N 3.09Å; H16-K19 HydrophobicContact CB-CB 4.33Å; H16-K19 HydrophobicContact CB-CG 4.34Å; H16-K19 WeakPolarHBondContact O-CA 3.36Å; H16-K19 PolarHBondContact O-N 2.94Å; H16-L20 PolarHBondContact O-N 3.44Å |
| 17 | P | 96.6 | Very high | 94.4 | Very high | 78 Ų | 78 | 79.7 Ų | 79.7 | 51% | 0.506 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -51.7 | -40.8 | -172.4 | -30.7 | 35.8 | 0 | 0 | 0 | 114.7 | K19 L20 R21 | P17-K19 VanDerWaalsContact C-N 3.33Å; P17-K19 PolarHBondContact O-N 3.36Å; P17-L20 PolarHBondContact O-N 3.04Å; P17-R21 WeakPolarHBondContact O-CG 3.16Å; P17-R21 PolarHBondContact O-N 3.37Å |
| 18 | D | 94.1 | Very high | 92.8 | Very high | 103 Ų | 103 | 84 Ų | 84 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -66.9 | -34 | 177.8 | -62.1 | -31 | 0 | 0 | 0 | 113.2 | H16 R21 N22 | H16-D18 VanDerWaalsContact C-N 3.27Å; H16-D18 IonicContact CE1-OD2 3.33Å; H16-D18 PolarHBondContact CE1-OD2 3.29Å; H16-D18 PolarHBondContact ND1-N 3.35Å; H16-D18 IonicContact ND1-OD2 3.73Å; H16-D18 PolarHBondContact O-N 3.48Å; H16-D18 VanDerWaalsContact O-N 3.09Å; D18-R21 PolarHBondContact O-N 3.36Å; D18-N22 PolarHBondContact O-N 3Å |
| 19 | K | 94.6 | Very high | 91.7 | Very high | 80 Ų | 80 | 86.9 Ų | 86.9 | 35% | 0.348 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -80 | -27.4 | 179.3 | -68 | -63.7 | -172.1 | 175.9 | 0 | 112.5 | N14 H16 P17 R21 N22 P23 | N14-K19 HydrophobicContact CB-CB 3.94Å; N14-K19 HydrophobicContact CB-CG 4.31Å; H16-K19 HydrophobicContact CB-CB 4.33Å; H16-K19 HydrophobicContact CB-CG 4.34Å; H16-K19 WeakPolarHBondContact O-CA 3.36Å; H16-K19 PolarHBondContact O-N 2.94Å; P17-K19 VanDerWaalsContact C-N 3.33Å; P17-K19 PolarHBondContact O-N 3.36Å; K19-R21 VanDerWaalsContact C-N 3.33Å; K19-N22 CarbonylContact O-C 3.27Å; K19-P23 WeakPolarHBondContact O-CA 3.35Å |
| 20 | L | 95.5 | Very high | 91 | Very high | 60 Ų | 60 | 90.8 Ų | 90.8 | 31% | 0.314 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 167.9 | -70.6 | 176.1 | 0 | 0 | 0 | 111.9 | V13 H16 P17 P33 P34 | V13-L20 HydrophobicContact CG2-CD2 4.45Å; H16-L20 PolarHBondContact O-N 3.44Å; P17-L20 PolarHBondContact O-N 3.04Å; L20-P33 WeakPolarHBondContact O-CA 3.3Å; L20-P33 WeakPolarHBondContact O-CB 3.28Å; L20-P34 HydrophobicContact CD2-CG 4.07Å |
| 21 | R | 94.3 | Very high | 90.8 | Very high | 188 Ų | 188 | 86.8 Ų | 86.8 | 71% | 0.709 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -73.8 | -39.6 | 175.9 | -67.6 | 177.9 | -167.5 | -174.5 | 4.4 | 112.4 | P17 D18 K19 | P17-R21 WeakPolarHBondContact O-CG 3.16Å; P17-R21 PolarHBondContact O-N 3.37Å; D18-R21 PolarHBondContact O-N 3.36Å; K19-R21 VanDerWaalsContact C-N 3.33Å |
| 22 | N | 94.9 | Very high | 90.7 | Very high | 38 Ų | 38 | 83.8 Ų | 83.8 | 20% | 0.203 | 41% | 0.414 | C | S | . | . | trans | -140.1 | 95.8 | 176.6 | -172.9 | -8.7 | 0 | 0 | 0 | 110.3 | D18 K19 C24 C31 | D18-N22 PolarHBondContact O-N 3Å; K19-N22 CarbonylContact O-C 3.27Å; N22-C24 VanDerWaalsContact C-N 3.28Å; N22-C24 PolarHBondContact O-N 2.67Å; N22-C24 WeakPolarHBondContact OD1-CB 3.29Å; N22-C24 PolarHBondContact OD1-N 2.9Å; N22-C31 WeakPolarHBondContact OD1-CB 3.35Å | ||
| 23 | P | 95.4 | Very high | 90.7 | Very high | 24 Ų | 24 | 83.9 Ų | 83.9 | 16% | 0.156 | 42% | 0.421 | C | S | . | . | trans | -76.5 | -17.7 | -179.1 | 29.9 | -35.1 | 0 | 0 | 0 | 112.7 | K19 Q32 G61 | K19-P23 WeakPolarHBondContact O-CA 3.35Å; P23-Q32 WeakPolarHBondContact CG-O 3Å; P23-G61 WeakPolarHBondContact CB-O 3.32Å | ||
| 24 | C | 94.1 | Very high | 90.7 | Very high | 12 Ų | 12 | 84.5 Ų | 84.5 | 8% | 0.081 | 43% | 0.425 | C | S | . | . | S | Bend | trans | -66.6 | 144.3 | -177.3 | -70.4 | 0 | 0 | 0 | 0 | 111.8 | N22 N26 C31 | N22-C24 VanDerWaalsContact C-N 3.28Å; N22-C24 PolarHBondContact O-N 2.67Å; N22-C24 WeakPolarHBondContact OD1-CB 3.29Å; N22-C24 PolarHBondContact OD1-N 2.9Å; C24-N26 VanDerWaalsContact C-N 3.34Å; C24-N26 PolarHBondContact O-N 3.06Å; C24-C31 HydrophobicContact CB-CB 3.62Å; C24-C31 WeakPolarHBondContact CB-SG 3.31Å; C24-C31 PolarHBondContact N-SG 3.49Å; C24-C31 VanDerWaalsContact N-SG 3.44Å; C24-C31 WeakPolarHBondContact SG-CB 3.24Å; C24-C31 CovalentContact SG-SG 2.04Å; C24-C31 PolarHBondContact SG-SG 3.03Å |
| 25 | P | 87.1 | Confident | 90.8 | Very high | 125 Ų | 125 | 82.4 Ų | 82.4 | 81% | 0.812 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -68.2 | -33.9 | -179.8 | 24.6 | -32.5 | 0 | 0 | 0 | 112.4 | ||
| 26 | N | 86.3 | Confident | 90.8 | Very high | 71 Ų | 71 | 81.4 Ų | 81.4 | 38% | 0.38 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -93.1 | 116.4 | 175.3 | -171.3 | -10.5 | 0 | 0 | 0 | 110.2 | C24 E28 K29 | C24-N26 VanDerWaalsContact C-N 3.34Å; C24-N26 PolarHBondContact O-N 3.06Å; N26-E28 PolarHBondContact O-N 2.96Å; N26-E28 PolarHBondContact OD1-N 2.92Å; N26-E28 VanDerWaalsContact OD1-N 3.12Å; N26-K29 HydrophobicContact CB-CD 4.3Å; N26-K29 HydrophobicContact CB-CG 4.27Å; N26-K29 PolarHBondContact O-N 2.68Å |
| 27 | K | 71.8 | Confident | 90.8 | Very high | 177 Ų | 177 | 79.4 Ų | 79.4 | 77% | 0.77 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -20.9 | -177.4 | -68.2 | -172.8 | 177.6 | -175.1 | 0 | 113.9 | K29 | K27-K29 VanDerWaalsContact C-N 3.31Š|
| 28 | E | 64.8 | Low | 90.9 | Very high | 179 Ų | 179 | 80.4 Ų | 80.4 | 84% | 0.836 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -7.1 | -176.6 | -63.2 | 175.1 | 174.5 | 0 | 0 | 113.3 | N26 | N26-E28 PolarHBondContact O-N 2.96Å; N26-E28 PolarHBondContact OD1-N 2.92Å; N26-E28 VanDerWaalsContact OD1-N 3.12Å |
| 29 | K | 76.5 | Confident | 91.1 | Very high | 133 Ų | 133 | 81 Ų | 81 | 58% | 0.578 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -89.4 | 134.8 | 178.7 | -65.9 | -173.3 | 178.1 | -176.3 | 0 | 110.6 | N26 K27 C31 | N26-K29 HydrophobicContact CB-CD 4.3Å; N26-K29 HydrophobicContact CB-CG 4.27Å; N26-K29 PolarHBondContact O-N 2.68Å; K27-K29 VanDerWaalsContact C-N 3.31Å; K29-C31 PolarHBondContact O-N 3.42Å |
| 30 | E | 82.1 | Confident | 91.3 | Very high | 159 Ų | 159 | 78.9 Ų | 78.9 | 74% | 0.743 | 39% | 0.387 | S | S | * | . | trans | -59 | 110.6 | 165.5 | -68.2 | -173.8 | 169.7 | 0 | 0 | 108.9 | L58 | E30-L58 HydrophobicContact CB-CD2 4.12Š| ||
| 31 | C | 92.9 | Very high | 91.4 | Very high | 18 Ų | 18 | 76.4 Ų | 76.4 | 12% | 0.122 | 37% | 0.374 | C | S | . | . | B | Isolated β-bridge | trans | -136.8 | 128.7 | -173.9 | -169.5 | 0 | 0 | 0 | 0 | 108.9 | N22 C24 K29 I59 | N22-C31 WeakPolarHBondContact OD1-CB 3.35Å; C24-C31 HydrophobicContact CB-CB 3.62Å; C24-C31 WeakPolarHBondContact CB-SG 3.31Å; C24-C31 PolarHBondContact N-SG 3.49Å; C24-C31 VanDerWaalsContact N-SG 3.44Å; C24-C31 WeakPolarHBondContact SG-CB 3.24Å; C24-C31 CovalentContact SG-SG 2.04Å; C24-C31 PolarHBondContact SG-SG 3.03Å; K29-C31 PolarHBondContact O-N 3.42Å; C31-I59 CarbonylContact C-O 3.59Å; C31-I59 WeakPolarHBondContact CA-O 3.47Å |
| 32 | Q | 96.1 | Very high | 91.6 | Very high | 23 Ų | 23 | 74.5 Ų | 74.5 | 11% | 0.107 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 150.4 | 178.2 | 65.8 | 177.5 | -50.4 | 0 | 0 | 111.4 | P23 F35 L58 I59 S60 | P23-Q32 WeakPolarHBondContact CG-O 3Å; Q32-F35 HydrophobicContact CG-CE1 4.27Å; Q32-L58 HydrophobicContact CB-CB 4.19Å; Q32-L58 HydrophobicContact CG-CB 4.2Å; Q32-L58 PolarHBondContact NE2-O 3.42Å; Q32-I59 PolarHBondContact N-O 3.2Å; Q32-S60 WeakPolarHBondContact O-CB 3.27Å; Q32-S60 PolarHBondContact O-OG 3.25Å |
| 33 | P | 97.4 | Very high | 91.7 | Very high | 68 Ų | 68 | 80.8 Ų | 80.8 | 44% | 0.442 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -49.7 | 149.5 | 170.7 | -30.9 | 37.9 | 0 | 0 | 0 | 113.2 | L20 F35 S60 | L20-P33 WeakPolarHBondContact O-CA 3.3Å; L20-P33 WeakPolarHBondContact O-CB 3.28Å; P33-F35 WeakPolarHBondContact O-CD1 3.4Å; P33-S60 PolarHBondContact O-OG 3.21Å |
| 34 | P | 97.8 | Very high | 91.8 | Very high | 15 Ų | 15 | 82.6 Ų | 82.6 | 10% | 0.097 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 150.3 | 176.9 | 28.5 | -34 | 0 | 0 | 0 | 111.5 | T8 V13 L20 S60 | T8-P34 HydrophobicContact CG2-CB 4.34Å; T8-P34 HydrophobicContact CG2-CG 4.44Å; T8-P34 VanDerWaalsContact CG2-O 3.29Å; T8-P34 WeakPolarHBondContact CG2-O 3.4Å; V13-P34 HydrophobicContact CB-CG 4.34Å; V13-P34 HydrophobicContact CG1-CB 3.8Å; V13-P34 HydrophobicContact CG1-CG 4.12Å; L20-P34 HydrophobicContact CD2-CG 4.07Å; P34-S60 WeakPolarHBondContact CA-OG 3.33Å |
| 35 | F | 98.4 | Very high | 92.1 | Very high | 22 Ų | 22 | 90.5 Ų | 90.5 | 10% | 0.096 | 46% | 0.456 | C | S | . | . | trans | -153.7 | 150.9 | 177.8 | 61.7 | -81.7 | 0 | 0 | 0 | 110.2 | S3 V5 D6 Q32 P33 R38 | S3-F35 WeakPolarHBondContact O-CE2 3.46Å; S3-F35 WeakPolarHBondContact OG-CZ 3.36Å; V5-F35 VanDerWaalsContact CB-O 3.28Å; V5-F35 WeakPolarHBondContact CB-O 3.43Å; V5-F35 HydrophobicContact CG2-CD1 3.97Å; V5-F35 HydrophobicContact CG2-CE1 3.71Å; V5-F35 HydrophobicContact CG2-CZ 4.08Å; V5-F35 PolarHBondContact N-O 3.26Å; V5-F35 VanDerWaalsContact N-O 3.14Å; D6-F35 PolarHBondContact N-O 3.33Å; D6-F35 CarbonylContact O-C 3.2Å; D6-F35 VanDerWaalsContact O-C 3.27Å; Q32-F35 HydrophobicContact CG-CE1 4.27Å; P33-F35 WeakPolarHBondContact O-CD1 3.4Å; F35-R38 HydrophobicContact CD2-CB 3.89Å; F35-R38 HydrophobicContact CE2-CB 3.68Å | ||
| 36 | A | 98.1 | Very high | 92.6 | Very high | 36 Ų | 36 | 88.2 Ų | 88.2 | 30% | 0.298 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -70.5 | -63.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F4 V5 D6 | F4-A36 VanDerWaalsContact CA-O 3.31Å; F4-A36 WeakPolarHBondContact CA-O 3.41Å; F4-A36 VanDerWaalsContact CB-O 3.24Å; F4-A36 WeakPolarHBondContact CB-O 3.44Å; V5-A36 PolarHBondContact N-O 3.15Å; D6-A36 VanDerWaalsContact O-CA 3.3Å; D6-A36 WeakPolarHBondContact O-CA 3.29Å; D6-A36 PolarHBondContact O-N 3.5Å |
| 37 | F | 98.5 | Very high | 93.2 | Very high | 59 Ų | 59 | 88.8 Ų | 88.8 | 26% | 0.259 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 140.7 | 179.9 | 171 | -123.1 | 0 | 0 | 0 | 110.6 | S3 H39 T72 Q75 V76 | S3-F37 WeakPolarHBondContact O-CD2 3.42Å; F37-H39 HydrophobicContact CE1-CB 4.23Å; F37-H39 HydrophobicContact CZ-CB 3.97Å; F37-T72 HydrophobicContact CD2-CG2 3.32Å; F37-T72 HydrophobicContact CE2-CG2 3.55Å; F37-T72 HydrophobicContact CG-CG2 4.16Å; F37-Q75 HydrophobicContact CD1-CB 3.76Å; F37-Q75 HydrophobicContact CD1-CG 4.16Å; F37-Q75 HydrophobicContact CE1-CB 3.87Å; F37-V76 HydrophobicContact CE2-CG2 4.18Å; F37-V76 HydrophobicContact CZ-CG2 3.78Å |
| 38 | R | 98.4 | Very high | 94.4 | Very high | 99 Ų | 99 | 85.4 Ų | 85.4 | 37% | 0.374 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 119 | 170.7 | -170.3 | -179.8 | -62.1 | 143.4 | 5.9 | 110.3 | G2 S3 F35 V40 | G2-R38 CarbonylContact C-O 3.54Å; G2-R38 WeakPolarHBondContact CA-O 3.23Å; S3-R38 PolarHBondContact N-O 3.02Å; S3-R38 PolarHBondContact O-N 3.3Å; F35-R38 HydrophobicContact CD2-CB 3.89Å; F35-R38 HydrophobicContact CE2-CB 3.68Å; R38-V40 HydrophobicContact CG-CG2 4.16Å; R38-V40 PolarHBondContact O-N 3.12Å |
| 39 | H | 98.3 | Very high | 96.1 | Very high | 115 Ų | 115 | 80.5 Ų | 80.5 | 53% | 0.532 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 117.8 | 166.1 | -174.1 | 80.4 | 0 | 0 | 0 | 109.4 | F37 K42 | F37-H39 HydrophobicContact CE1-CB 4.23Å; F37-H39 HydrophobicContact CZ-CB 3.97Å; H39-K42 WeakPolarHBondContact NE2-CA 3.49Å; H39-K42 PolarHBondContact NE2-N 2.72Å |
| 40 | V | 98.1 | Very high | 97.1 | Very high | 35 Ų | 35 | 79.2 Ų | 79.2 | 21% | 0.212 | 41% | 0.408 | C | S | . | . | trans | -103.4 | -44 | -173.3 | 173.6 | 0 | 0 | 0 | 0 | 111.6 | F1 R38 E53 | F1-V40 HydrophobicContact CD1-CB 3.88Å; F1-V40 HydrophobicContact CD1-CG1 4.11Å; F1-V40 HydrophobicContact CD1-CG2 4.35Å; F1-V40 HydrophobicContact CE1-CB 4.33Å; F1-V40 HydrophobicContact CE1-CG2 4.33Å; F1-V40 PolarHBondContact O-N 3.04Å; R38-V40 HydrophobicContact CG-CG2 4.16Å; R38-V40 PolarHBondContact O-N 3.12Å; V40-E53 HydrophobicContact CG1-CB 4.2Å | ||
| 41 | L | 98.3 | Very high | 97.9 | Very high | 9 Ų | 9 | 78.2 Ų | 78.2 | 5% | 0.047 | 40% | 0.404 | C | S | . | . | trans | -140.2 | 122.5 | -174.9 | 178.4 | 61.8 | 0 | 0 | 0 | 110.7 | F1 T44 Q49 F50 E53 | F1-L41 HydrophobicContact CB-CB 4.21Å; F1-L41 PolarHBondContact N-O 2.88Å; F1-L41 PolarHBondContact O-N 3.28Å; L41-T44 HydrophobicContact CD1-CG2 4.15Å; L41-T44 HydrophobicContact CD2-CG2 4.2Å; L41-T44 HydrophobicContact CG-CG2 4.27Å; L41-Q49 HydrophobicContact CD1-CG 3.8Å; L41-Q49 HydrophobicContact CD2-CG 4.45Å; L41-F50 VanDerWaalsContact CD2-CA 3.49Å; L41-F50 HydrophobicContact CD2-CB 3.95Å; L41-F50 HydrophobicContact CD2-CD2 3.97Å; L41-F50 HydrophobicContact CD2-CG 4.4Å; L41-E53 HydrophobicContact CB-CB 4.44Å; L41-E53 HydrophobicContact CD1-CG 4.36Å; L41-E53 HydrophobicContact CD2-CB 4.27Å; L41-E53 HydrophobicContact CD2-CG 4.42Å | ||
| 42 | K | 98.1 | Very high | 98.2 | Very high | 147 Ų | 147 | 80.9 Ų | 80.9 | 64% | 0.639 | 42% | 0.419 | S | S | * | . | trans | -64.9 | 153.5 | 171.4 | -171.6 | 167.4 | -177.4 | 167.5 | 0 | 110.7 | H39 T44 | H39-K42 WeakPolarHBondContact NE2-CA 3.49Å; H39-K42 PolarHBondContact NE2-N 2.72Å; K42-T44 PolarHBondContact O-N 3.45Å | ||
| 43 | L | 97.9 | Very high | 98.3 | Very high | 170 Ų | 170 | 82 Ų | 82 | 89% | 0.89 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -52.8 | 128.7 | 173.5 | -67.1 | 175.5 | 0 | 0 | 0 | 110.3 | ||
| 44 | T | 97.8 | Very high | 98.3 | Very high | 62 Ų | 62 | 81.2 Ų | 81.2 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | trans | -153.1 | 151.8 | -173 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | L41 K42 N46 | L41-T44 HydrophobicContact CD1-CG2 4.15Å; L41-T44 HydrophobicContact CD2-CG2 4.2Å; L41-T44 HydrophobicContact CG-CG2 4.27Å; K42-T44 PolarHBondContact O-N 3.45Å; T44-N46 VanDerWaalsContact C-N 3.27Å; T44-N46 HydrophobicContact CG2-CB 4.44Å; T44-N46 PolarHBondContact OG1-N 3.39Å | ||
| 45 | N | 98.4 | Very high | 98.3 | Very high | 179 Ų | 179 | 83.7 Ų | 83.7 | 96% | 0.957 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -86.5 | 1 | 173.6 | -63.2 | -18 | 0 | 0 | 0 | 112.3 | S47 | N45-S47 PolarHBondContact O-N 2.96Š|
| 46 | N | 98.5 | Very high | 98.2 | Very high | 76 Ų | 76 | 88.5 Ų | 88.5 | 41% | 0.406 | 47% | 0.468 | S | S | . | . | trans | -88.3 | 100.6 | -178.2 | -172.4 | -20.1 | 0 | 0 | 0 | 111.5 | T44 N48 Q49 F50 | T44-N46 VanDerWaalsContact C-N 3.27Å; T44-N46 HydrophobicContact CG2-CB 4.44Å; T44-N46 PolarHBondContact OG1-N 3.39Å; N46-N48 PolarHBondContact OD1-N 3.14Å; N46-Q49 HydrophobicContact CB-CB 3.89Å; N46-Q49 PolarHBondContact O-N 3.28Å; N46-Q49 PolarHBondContact OD1-N 2.88Å; N46-F50 PolarHBondContact O-N 3.39Å | ||
| 47 | S | 98.4 | Very high | 98.1 | Very high | 84 Ų | 84 | 89.3 Ų | 89.3 | 59% | 0.587 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -65.5 | -38 | 179.6 | 54.4 | 0 | 0 | 0 | 0 | 113.5 | N45 Q49 F50 Q51 | N45-S47 PolarHBondContact O-N 2.96Å; S47-Q49 VanDerWaalsContact C-N 3.31Å; S47-Q49 PolarHBondContact O-N 3.36Å; S47-F50 WeakPolarHBondContact O-CB 3.19Å; S47-F50 PolarHBondContact O-N 2.92Å; S47-F50 VanDerWaalsContact O-N 3.17Å; S47-Q51 PolarHBondContact O-N 3.37Å |
| 48 | N | 98.6 | Very high | 98 | Very high | 106 Ų | 106 | 90.4 Ų | 90.4 | 57% | 0.567 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.9 | -37.5 | 179.3 | -66.9 | -22.7 | 0 | 0 | 0 | 111.2 | N46 Q51 T52 | N46-N48 PolarHBondContact OD1-N 3.14Å; N48-Q51 PolarHBondContact O-N 3.35Å; N48-T52 WeakPolarHBondContact O-CB 3.17Å; N48-T52 PolarHBondContact O-N 2.98Å; N48-T52 PolarHBondContact O-OG1 3.17Å |
| 49 | Q | 98.5 | Very high | 97.8 | Very high | 76 Ų | 76 | 91.7 Ų | 91.7 | 36% | 0.355 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 172.4 | -173.7 | 179.5 | 16.6 | 0 | 0 | 110.7 | L41 N46 S47 T52 E53 | L41-Q49 HydrophobicContact CD1-CG 3.8Å; L41-Q49 HydrophobicContact CD2-CG 4.45Å; N46-Q49 HydrophobicContact CB-CB 3.89Å; N46-Q49 PolarHBondContact O-N 3.28Å; N46-Q49 PolarHBondContact OD1-N 2.88Å; S47-Q49 VanDerWaalsContact C-N 3.31Å; S47-Q49 PolarHBondContact O-N 3.36Å; Q49-T52 PolarHBondContact O-N 3.47Å; Q49-E53 HydrophobicContact CG-CG 4.32Å; Q49-E53 WeakPolarHBondContact O-CB 3.49Å; Q49-E53 WeakPolarHBondContact O-CG 3.16Å; Q49-E53 PolarHBondContact O-N 2.78Å |
| 50 | F | 98.7 | Very high | 97.7 | Very high | 106 Ų | 106 | 87.4 Ų | 87.4 | 47% | 0.465 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.9 | -49.4 | 176 | 179.9 | -90.8 | 0 | 0 | 0 | 112.3 | F1 L41 N46 S47 T52 E53 V54 | F1-F50 HydrophobicContact CB-CD2 4.4Å; F1-F50 HydrophobicContact CB-CE2 3.94Å; F1-F50 HydrophobicContact CD2-CE2 4.43Å; F1-F50 HydrophobicContact CG-CE2 4.43Å; L41-F50 VanDerWaalsContact CD2-CA 3.49Å; L41-F50 HydrophobicContact CD2-CB 3.95Å; L41-F50 HydrophobicContact CD2-CD2 3.97Å; L41-F50 HydrophobicContact CD2-CG 4.4Å; N46-F50 PolarHBondContact O-N 3.39Å; S47-F50 WeakPolarHBondContact O-CB 3.19Å; S47-F50 PolarHBondContact O-N 2.92Å; S47-F50 VanDerWaalsContact O-N 3.17Å; F50-T52 VanDerWaalsContact C-N 3.31Å; F50-T52 PolarHBondContact O-N 2.9Å; F50-E53 PolarHBondContact O-N 3.45Å; F50-V54 HydrophobicContact CD1-CG2 4.16Å; F50-V54 HydrophobicContact CD2-CG2 4.25Å; F50-V54 HydrophobicContact CE1-CG2 3.81Å; F50-V54 HydrophobicContact CE2-CG2 3.92Å; F50-V54 HydrophobicContact CG-CG2 4.36Å; F50-V54 HydrophobicContact CZ-CG2 3.68Å; F50-V54 WeakPolarHBondContact O-CB 3.37Å; F50-V54 VanDerWaalsContact O-CG2 3.29Å; F50-V54 WeakPolarHBondContact O-CG2 3.34Å; F50-V54 PolarHBondContact O-N 3.34Å |
| 51 | Q | 98.6 | Very high | 97.6 | Very high | 137 Ų | 137 | 86.6 Ų | 86.6 | 64% | 0.64 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -57.6 | -45.1 | 178.6 | -177.6 | -179.3 | 0.4 | 0 | 0 | 111.7 | S47 N48 G55 | S47-Q51 PolarHBondContact O-N 3.37Å; N48-Q51 PolarHBondContact O-N 3.35Å; Q51-G55 PolarHBondContact O-N 2.92Å |
| 52 | T | 98.6 | Very high | 97.5 | Very high | 74 Ų | 74 | 88 Ų | 88 | 45% | 0.454 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | -179.1 | -56.2 | 0 | 0 | 0 | 0 | 111.5 | N48 Q49 F50 G55 K56 | N48-T52 WeakPolarHBondContact O-CB 3.17Å; N48-T52 PolarHBondContact O-N 2.98Å; N48-T52 PolarHBondContact O-OG1 3.17Å; Q49-T52 PolarHBondContact O-N 3.47Å; F50-T52 VanDerWaalsContact C-N 3.31Å; F50-T52 PolarHBondContact O-N 2.9Å; T52-G55 PolarHBondContact O-N 2.9Å; T52-K56 WeakPolarHBondContact O-CG 3.46Å; T52-K56 PolarHBondContact O-N 3.29Å |
| 53 | E | 98.4 | Very high | 97.4 | Very high | 46 Ų | 46 | 85.9 Ų | 85.9 | 22% | 0.215 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -70.7 | -34.9 | -177.9 | -67.8 | -48.8 | 129.9 | 0 | 0 | 112.9 | V40 L41 Q49 F50 K56 Q57 | V40-E53 HydrophobicContact CG1-CB 4.2Å; L41-E53 HydrophobicContact CB-CB 4.44Å; L41-E53 HydrophobicContact CD1-CG 4.36Å; L41-E53 HydrophobicContact CD2-CB 4.27Å; L41-E53 HydrophobicContact CD2-CG 4.42Å; Q49-E53 HydrophobicContact CG-CG 4.32Å; Q49-E53 WeakPolarHBondContact O-CB 3.49Å; Q49-E53 WeakPolarHBondContact O-CG 3.16Å; Q49-E53 PolarHBondContact O-N 2.78Å; F50-E53 PolarHBondContact O-N 3.45Å; E53-K56 IonicContact OE1-NZ 3.67Å; E53-K56 PolarHBondContact OE1-NZ 2.75Å; E53-K56 IonicContact OE2-NZ 2.72Å; E53-Q57 PolarHBondContact O-NE2 3.17Å |
| 54 | V | 97.9 | Very high | 97.4 | Very high | 53 Ų | 53 | 80.4 Ų | 80.4 | 32% | 0.321 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 173.4 | 172 | 0 | 0 | 0 | 0 | 110.9 | F1 F50 K56 Q57 | F1-V54 HydrophobicContact CD1-CG2 4.15Å; F1-V54 HydrophobicContact CD2-CG2 4.16Å; F1-V54 HydrophobicContact CE1-CG2 4.36Å; F1-V54 HydrophobicContact CE2-CG2 4.33Å; F1-V54 HydrophobicContact CG-CG2 4.08Å; F1-V54 HydrophobicContact CZ-CG2 4.43Å; F50-V54 HydrophobicContact CD1-CG2 4.16Å; F50-V54 HydrophobicContact CD2-CG2 4.25Å; F50-V54 HydrophobicContact CE1-CG2 3.81Å; F50-V54 HydrophobicContact CE2-CG2 3.92Å; F50-V54 HydrophobicContact CG-CG2 4.36Å; F50-V54 HydrophobicContact CZ-CG2 3.68Å; F50-V54 WeakPolarHBondContact O-CB 3.37Å; F50-V54 VanDerWaalsContact O-CG2 3.29Å; F50-V54 WeakPolarHBondContact O-CG2 3.34Å; F50-V54 PolarHBondContact O-N 3.34Å; V54-K56 PolarHBondContact O-N 3.2Å; V54-Q57 WeakPolarHBondContact O-CG 3.47Å; V54-Q57 PolarHBondContact O-N 2.7Å |
| 55 | G | 97.3 | Very high | 97.4 | Very high | 66 Ų | 66 | 81.7 Ų | 81.7 | 68% | 0.68 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.6 | -20.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q51 T52 Q57 | Q51-G55 PolarHBondContact O-N 2.92Å; T52-G55 PolarHBondContact O-N 2.9Å; G55-Q57 VanDerWaalsContact C-N 3.32Å |
| 56 | K | 96.9 | Very high | 97.4 | Very high | 124 Ų | 124 | 77.7 Ų | 77.7 | 54% | 0.539 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.5 | 175.9 | -72 | 169.2 | -176.4 | 170.1 | 0 | 114 | T52 E53 V54 | T52-K56 WeakPolarHBondContact O-CG 3.46Å; T52-K56 PolarHBondContact O-N 3.29Å; E53-K56 IonicContact OE1-NZ 3.67Å; E53-K56 PolarHBondContact OE1-NZ 2.75Å; E53-K56 IonicContact OE2-NZ 2.72Å; V54-K56 PolarHBondContact O-N 3.2Å |
| 57 | Q | 96.5 | Very high | 97.3 | Very high | 53 Ų | 53 | 78.4 Ų | 78.4 | 25% | 0.248 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 139.9 | -174.4 | -55.6 | -50.1 | -60.9 | 0 | 0 | 111.6 | F1 E53 V54 G55 | F1-Q57 HydrophobicContact CE1-CG 3.85Å; F1-Q57 HydrophobicContact CZ-CG 4.39Å; E53-Q57 PolarHBondContact O-NE2 3.17Å; V54-Q57 WeakPolarHBondContact O-CG 3.47Å; V54-Q57 PolarHBondContact O-N 2.7Å; G55-Q57 VanDerWaalsContact C-N 3.32Å |
| 58 | L | 95.7 | Very high | 97.3 | Very high | 81 Ų | 81 | 75 Ų | 75 | 42% | 0.424 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 159.1 | 176.1 | -63.6 | 176.5 | 0 | 0 | 0 | 111.1 | E30 Q32 | E30-L58 HydrophobicContact CB-CD2 4.12Å; Q32-L58 HydrophobicContact CB-CB 4.19Å; Q32-L58 HydrophobicContact CG-CB 4.2Å; Q32-L58 PolarHBondContact NE2-O 3.42Å |
| 59 | I | 94.9 | Very high | 97.3 | Very high | 127 Ų | 127 | 70.7 Ų | 70.7 | 65% | 0.651 | 40% | 0.402 | S | S | * | . | B | Isolated β-bridge | trans | -72.4 | 148.7 | 171.8 | -63.9 | 172.3 | 0 | 0 | 0 | 109.1 | C31 Q32 | C31-I59 CarbonylContact C-O 3.59Å; C31-I59 WeakPolarHBondContact CA-O 3.47Å; Q32-I59 PolarHBondContact N-O 3.2Å |
| 60 | S | 96.1 | Very high | 97.3 | Very high | 25 Ų | 25 | 73.7 Ų | 73.7 | 18% | 0.175 | 42% | 0.42 | C | S | . | . | trans | -129.8 | -173.6 | 171.5 | -162.8 | 0 | 0 | 0 | 0 | 109.7 | Q32 P33 P34 | Q32-S60 WeakPolarHBondContact O-CB 3.27Å; Q32-S60 PolarHBondContact O-OG 3.25Å; P33-S60 PolarHBondContact O-OG 3.21Å; P34-S60 WeakPolarHBondContact CA-OG 3.33Å | ||
| 61 | G | 95.3 | Very high | 97.3 | Very high | 17 Ų | 17 | 71.4 Ų | 71.4 | 18% | 0.175 | 41% | 0.412 | C | S | . | . | trans | -165.5 | 163.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P23 | P23-G61 WeakPolarHBondContact CB-O 3.32Š| ||
| 62 | N | 96.5 | Very high | 97.2 | Very high | 40 Ų | 40 | 65.5 Ų | 65.5 | 21% | 0.214 | 39% | 0.386 | C | S | . | . | trans | -134.3 | -169.9 | 178.8 | 65.1 | -44.3 | 0 | 0 | 0 | 109.5 | V5 D6 F12 V13 D64 E67 | V5-N62 HydrophobicContact CG1-CB 3.94Å; D6-N62 HydrophobicContact CB-CB 4.44Å; F12-N62 WeakPolarHBondContact O-CB 3.45Å; V13-N62 HydrophobicContact CG1-CB 3.82Å; N62-D64 PolarHBondContact ND2-O 3.03Å; N62-D64 VanDerWaalsContact ND2-O 3.13Å; N62-D64 PolarHBondContact ND2-OD1 3.21Å; N62-E67 VanDerWaalsContact CG-OE2 3.26Å; N62-E67 PolarHBondContact ND2-OE2 3.27Å; N62-E67 PolarHBondContact OD1-OE1 3.13Å; N62-E67 PolarHBondContact OD1-OE2 2.77Å | ||
| 63 | L | 96.7 | Very high | 97.2 | Very high | 102 Ų | 102 | 68 Ų | 68 | 53% | 0.534 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -100.2 | -41.4 | -170.2 | -175.1 | 61.5 | 0 | 0 | 0 | 113.1 | L10 P11 F12 | L10-L63 HydrophobicContact CD2-CD2 4.41Å; P11-L63 WeakPolarHBondContact O-CD2 3.15Å; F12-L63 WeakPolarHBondContact O-CB 3.41Å; F12-L63 PolarHBondContact O-N 3.4Å |
| 64 | D | 97.1 | Very high | 97.2 | Very high | 54 Ų | 54 | 71.6 Ų | 71.6 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -97.6 | 173 | -179.3 | 63.2 | -33.7 | 0 | 0 | 0 | 112.6 | F12 N62 | F12-D64 VanDerWaalsContact CA-OD1 3.27Å; F12-D64 WeakPolarHBondContact CA-OD1 3.32Å; F12-D64 VanDerWaalsContact O-OD1 3.1Å; N62-D64 PolarHBondContact ND2-O 3.03Å; N62-D64 VanDerWaalsContact ND2-O 3.13Å; N62-D64 PolarHBondContact ND2-OD1 3.21Å |
| 65 | A | 97.5 | Very high | 97.2 | Very high | 90 Ų | 90 | 73.2 Ų | 73.2 | 74% | 0.744 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -89.6 | -36.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 66 | P | 97.9 | Very high | 97.3 | Very high | 94 Ų | 94 | 74.1 Ų | 74.1 | 61% | 0.61 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -65.9 | 150.7 | 167.5 | -18.6 | 33.9 | 0 | 0 | 0 | 110.7 | ||
| 67 | E | 98.3 | Very high | 97.3 | Very high | 92 Ų | 92 | 72.3 Ų | 72.3 | 43% | 0.43 | 42% | 0.416 | S | S | . | . | trans | -126.2 | 162.1 | -174.6 | -55.3 | -68.1 | 179.6 | 0 | 0 | 111.5 | F4 D6 N62 G69 | F4-E67 HydrophobicContact CE2-CB 4.08Å; D6-E67 WeakPolarHBondContact OD2-CA 3.34Å; N62-E67 VanDerWaalsContact CG-OE2 3.26Å; N62-E67 PolarHBondContact ND2-OE2 3.27Å; N62-E67 PolarHBondContact OD1-OE1 3.13Å; N62-E67 PolarHBondContact OD1-OE2 2.77Å; E67-G69 PolarHBondContact O-N 3.18Å | ||
| 68 | G | 97.8 | Very high | 97.4 | Very high | 11 Ų | 11 | 72.6 Ų | 72.6 | 11% | 0.113 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 23.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | V5 D6 L70 D71 T72 | V5-G68 PolarHBondContact O-N 2.99Å; D6-G68 PolarHBondContact OD2-N 3.1Å; G68-L70 VanDerWaalsContact C-N 3.34Å; G68-L70 PolarHBondContact O-N 3.44Å; G68-D71 WeakPolarHBondContact O-CB 3.46Å; G68-D71 PolarHBondContact O-N 2.97Å; G68-D71 VanDerWaalsContact O-N 3.15Å; G68-T72 PolarHBondContact O-N 2.86Å |
| 69 | G | 98.2 | Very high | 97.5 | Very high | 16 Ų | 16 | 72.6 Ų | 72.6 | 17% | 0.165 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -61.1 | -36.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | E67 D71 T72 M73 | E67-G69 PolarHBondContact O-N 3.18Å; G69-D71 VanDerWaalsContact C-N 3.35Å; G69-D71 PolarHBondContact O-N 3.28Å; G69-T72 WeakPolarHBondContact O-CB 3.19Å; G69-T72 PolarHBondContact O-N 3.09Å; G69-M73 PolarHBondContact O-N 3.25Å |
| 70 | L | 98.4 | Very high | 97.2 | Very high | 140 Ų | 140 | 75.1 Ų | 75.1 | 73% | 0.733 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -69.9 | -31.6 | 178.2 | -68.4 | 179.8 | 0 | 0 | 0 | 112.7 | G68 T72 M73 M74 | G68-L70 VanDerWaalsContact C-N 3.34Å; G68-L70 PolarHBondContact O-N 3.44Å; L70-T72 VanDerWaalsContact C-N 3.28Å; L70-T72 PolarHBondContact O-N 3.47Å; L70-M73 HydrophobicContact CD2-SD 3.9Å; L70-M73 PolarHBondContact O-N 3.2Å; L70-M74 PolarHBondContact O-N 3.44Å |
| 71 | D | 97.8 | Very high | 97.2 | Very high | 57 Ų | 57 | 77.6 Ų | 77.6 | 31% | 0.305 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 173.8 | -153.4 | 25.6 | 0 | 0 | 0 | 109.8 | K7 G68 G69 M74 Q75 | K7-D71 IonicContact NZ-OD1 2.67Å; K7-D71 IonicContact NZ-OD2 3.71Å; K7-D71 PolarHBondContact NZ-OD2 2.97Å; G68-D71 WeakPolarHBondContact O-CB 3.46Å; G68-D71 PolarHBondContact O-N 2.97Å; G68-D71 VanDerWaalsContact O-N 3.15Å; G69-D71 VanDerWaalsContact C-N 3.35Å; G69-D71 PolarHBondContact O-N 3.28Å; D71-M74 PolarHBondContact O-N 3.01Å; D71-Q75 WeakPolarHBondContact O-CG 3.42Å; D71-Q75 PolarHBondContact O-N 2.9Å; D71-Q75 VanDerWaalsContact O-N 3.09Å |
| 72 | T | 98 | Very high | 97.3 | Very high | 13 Ų | 13 | 80.8 Ų | 80.8 | 8% | 0.08 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.8 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | F4 F37 G68 G69 L70 M74 Q75 V76 | F4-T72 HydrophobicContact CB-CG2 4.23Å; F4-T72 WeakPolarHBondContact CB-OG1 3.46Å; F4-T72 HydrophobicContact CD1-CG2 4.08Å; F4-T72 HydrophobicContact CG-CG2 4.44Å; F37-T72 HydrophobicContact CD2-CG2 3.32Å; F37-T72 HydrophobicContact CE2-CG2 3.55Å; F37-T72 HydrophobicContact CG-CG2 4.16Å; G68-T72 PolarHBondContact O-N 2.86Å; G69-T72 WeakPolarHBondContact O-CB 3.19Å; G69-T72 PolarHBondContact O-N 3.09Å; L70-T72 VanDerWaalsContact C-N 3.28Å; L70-T72 PolarHBondContact O-N 3.47Å; T72-M74 VanDerWaalsContact C-N 3.28Å; T72-M74 PolarHBondContact O-N 3.43Å; T72-Q75 PolarHBondContact O-N 3.05Å; T72-V76 HydrophobicContact CG2-CG2 4.47Å; T72-V76 WeakPolarHBondContact O-CG2 3.34Å; T72-V76 PolarHBondContact O-N 3.44Å |
| 73 | M | 98.3 | Very high | 97.4 | Very high | 127 Ų | 127 | 83.1 Ų | 83.1 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.6 | -41.7 | 177.1 | -71.8 | -179.8 | 72.5 | 0 | 0 | 111.9 | G69 L70 V76 A77 | G69-M73 PolarHBondContact O-N 3.25Å; L70-M73 HydrophobicContact CD2-SD 3.9Å; L70-M73 PolarHBondContact O-N 3.2Å; M73-V76 PolarHBondContact O-N 2.04Å; M73-A77 WeakPolarHBondContact O-CB 3.08Å; M73-A77 PolarHBondContact O-N 3.49Å |
| 74 | M | 98.4 | Very high | 97.4 | Very high | 122 Ų | 122 | 81.9 Ų | 81.9 | 60% | 0.601 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.9 | -46.7 | 176.9 | -177.9 | 60.7 | -168.8 | 0 | 0 | 111.6 | L70 D71 T72 V76 A77 A78 | L70-M74 PolarHBondContact O-N 3.44Å; D71-M74 PolarHBondContact O-N 3.01Å; T72-M74 VanDerWaalsContact C-N 3.28Å; T72-M74 PolarHBondContact O-N 3.43Å; M74-V76 VanDerWaalsContact C-N 3.34Å; M74-V76 PolarHBondContact O-N 3.33Å; M74-A77 PolarHBondContact O-N 3.46Å; M74-A78 VanDerWaalsContact O-CB 3.32Å; M74-A78 WeakPolarHBondContact O-CB 3Å; M74-A78 PolarHBondContact O-N 3.42Å |
| 75 | Q | 98.4 | Very high | 97.5 | Very high | 86 Ų | 86 | 83.7 Ų | 83.7 | 40% | 0.402 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.1 | -67.6 | -58.7 | -46.7 | 0 | 0 | 112.3 | F37 D71 T72 A78 C79 | F37-Q75 HydrophobicContact CD1-CB 3.76Å; F37-Q75 HydrophobicContact CD1-CG 4.16Å; F37-Q75 HydrophobicContact CE1-CB 3.87Å; D71-Q75 WeakPolarHBondContact O-CG 3.42Å; D71-Q75 PolarHBondContact O-N 2.9Å; D71-Q75 VanDerWaalsContact O-N 3.09Å; T72-Q75 PolarHBondContact O-N 3.05Å; Q75-A78 PolarHBondContact O-N 3.18Å; Q75-C79 WeakPolarHBondContact O-CB 3.44Å; Q75-C79 PolarHBondContact O-N 3.3Å; Q75-C79 VanDerWaalsContact O-N 3.1Å; Q75-C79 PolarHBondContact O-SG 3.12Å |
| 76 | V | 98.1 | Very high | 97.4 | Very high | 85 Ų | 85 | 83.3 Ų | 83.3 | 52% | 0.515 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 177.4 | 172.9 | 0 | 0 | 0 | 0 | 111.6 | F37 T72 M73 M74 | F37-V76 HydrophobicContact CE2-CG2 4.18Å; F37-V76 HydrophobicContact CZ-CG2 3.78Å; T72-V76 HydrophobicContact CG2-CG2 4.47Å; T72-V76 WeakPolarHBondContact O-CG2 3.34Å; T72-V76 PolarHBondContact O-N 3.44Å; M73-V76 PolarHBondContact O-N 2.04Å; M74-V76 VanDerWaalsContact C-N 3.34Å; M74-V76 PolarHBondContact O-N 3.33Å |
| 77 | A | 98.1 | Very high | 97.4 | Very high | 86 Ų | 86 | 82.5 Ų | 82.5 | 71% | 0.711 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -71 | -33.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M73 M74 | M73-A77 WeakPolarHBondContact O-CB 3.08Å; M73-A77 PolarHBondContact O-N 3.49Å; M74-A77 PolarHBondContact O-N 3.46Å |
| 78 | A | 98.1 | Very high | 97.4 | Very high | 60 Ų | 60 | 81.8 Ų | 81.8 | 50% | 0.496 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -81 | -21.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.9 | M74 Q75 P80 | M74-A78 VanDerWaalsContact O-CB 3.32Å; M74-A78 WeakPolarHBondContact O-CB 3Å; M74-A78 PolarHBondContact O-N 3.42Å; Q75-A78 PolarHBondContact O-N 3.18Å; A78-P80 WeakPolarHBondContact O-CD 3.35Å |
| 79 | C | 97.1 | Very high | 97.3 | Very high | 81 Ų | 81 | 87.7 Ų | 87.7 | 55% | 0.547 | 53% | 0.529 | S | S | . | . | trans | -115.1 | 94.2 | -174.9 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | Q75 | Q75-C79 WeakPolarHBondContact O-CB 3.44Å; Q75-C79 PolarHBondContact O-N 3.3Å; Q75-C79 VanDerWaalsContact O-N 3.1Å; Q75-C79 PolarHBondContact O-SG 3.12Å | ||
| 80 | P | 88.8 | Confident | 97.2 | Very high | 179 Ų | 179 | 94.2 Ų | 94.2 | 100% | 1.162 | 56% | 0.562 | S | S | * | * | trans | -72.1 | 0 | -179.8 | 29.9 | -35 | 0 | 0 | 0 | 114.7 | A78 | A78-P80 WeakPolarHBondContact O-CD 3.35Š|
Retrieved 80 of 80 residues in 228.3 ms
(Link to these results)