| 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 | W | 87.3 | Confident | 95.9 | Very high | 314 Ų | 314 | 108.5 Ų | 108.5 | 100% | 1.189 | 56% | 0.556 | S | S | * | * | 0 | 134.5 | 0 | -67.6 | 97 | 0 | 0 | 0 | 108.6 | |||||
| 2 | T | 92.9 | Very high | 96 | Very high | 136 Ų | 136 | 107 Ų | 107 | 83% | 0.834 | 54% | 0.544 | S | S | * | . | trans | -127.7 | 145 | 174.1 | -70.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | S | 95.2 | Very high | 96.1 | Very high | 111 Ų | 111 | 107.4 Ų | 107.4 | 78% | 0.776 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 131.7 | 176.5 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 4 | C | 96.1 | Very high | 96.3 | Very high | 79 Ų | 79 | 101.8 Ų | 101.8 | 53% | 0.534 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 172.2 | 164.6 | -62.7 | 0 | 0 | 0 | 0 | 110.2 | Y41 N46 | C4-Y41 HydrophobicContact CB-CE2 4.18Å; C4-Y41 PolarHBondContact SG-OH 2.84Å; C4-Y41 VanDerWaalsContact SG-OH 3.39Å; C4-N46 WeakPolarHBondContact CA-OD1 2.98Å |
| 5 | A | 97.9 | Very high | 96.4 | Very high | 24 Ų | 24 | 95.5 Ų | 95.5 | 20% | 0.198 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -55.6 | 142.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N46 W48 | A5-N46 WeakPolarHBondContact CB-O 3.49Å; A5-N46 PolarHBondContact N-ND2 2.97Å; A5-N46 PolarHBondContact N-OD1 3.46Å; A5-W48 VanDerWaalsContact O-CD1 3.24Å; A5-W48 PolarHBondContact O-NE1 3Å |
| 6 | P | 98.1 | Very high | 96.5 | Very high | 112 Ų | 112 | 94.7 Ų | 94.7 | 73% | 0.727 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 153.7 | 174.9 | 31 | -35.3 | 0 | 0 | 0 | 110.6 | W48 | P6-W48 VanDerWaalsContact O-CD1 3.26Š|
| 7 | L | 97.9 | Very high | 96.6 | Very high | 50 Ų | 50 | 90.3 Ų | 90.3 | 26% | 0.262 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 149.5 | 169.7 | -66.8 | 168.6 | 0 | 0 | 0 | 111 | I9 R11 I25 W48 | L7-I9 VanDerWaalsContact C-N 3.31Å; L7-I9 WeakPolarHBondContact CB-O 3.22Å; L7-R11 HydrophobicContact CD1-CG 3.7Å; L7-I25 HydrophobicContact CD1-CD1 3.8Å; L7-I25 HydrophobicContact CD2-CD1 4.37Å; L7-I25 HydrophobicContact CD2-CG2 3.69Å; L7-W48 HydrophobicContact CD2-CD2 3.42Å; L7-W48 VanDerWaalsContact CD2-CD2 3.42Å; L7-W48 HydrophobicContact CD2-CE3 3.54Å; L7-W48 HydrophobicContact CD2-CG 3.96Å; L7-W48 HydrophobicContact CD2-CH2 3.9Å; L7-W48 HydrophobicContact CD2-CZ2 3.79Å; L7-W48 HydrophobicContact CD2-CZ3 3.79Å |
| 8 | N | 97.9 | Very high | 96.7 | Very high | 100 Ų | 100 | 91.2 Ų | 91.2 | 54% | 0.535 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -68.5 | -35.3 | 172.5 | -63.2 | -83.6 | 0 | 0 | 0 | 111 | E39 W48 | N8-E39 VanDerWaalsContact CB-OE2 3.24Å; N8-E39 WeakPolarHBondContact CB-OE2 3.43Å; N8-E39 PolarHBondContact N-OE1 3.22Å; N8-E39 PolarHBondContact N-OE2 3.22Å; N8-E39 PolarHBondContact ND2-OE2 3.39Å; N8-W48 WeakPolarHBondContact ND2-CB 3.35Å; N8-W48 PolarHBondContact ND2-O 2.99Å |
| 9 | I | 97.3 | Very high | 96.6 | Very high | 34 Ų | 34 | 90.7 Ų | 90.7 | 17% | 0.174 | 47% | 0.468 | C | S | . | . | S | Bend | trans | -119.2 | 119.4 | 177.1 | -56.3 | 172.5 | 0 | 0 | 0 | 108.8 | L7 R11 L35 T37 E39 L50 | L7-I9 VanDerWaalsContact C-N 3.31Å; L7-I9 WeakPolarHBondContact CB-O 3.22Å; I9-R11 PolarHBondContact O-N 2.89Å; I9-R11 PolarHBondContact O-NE 3.18Å; I9-R11 VanDerWaalsContact O-NE 3.14Å; I9-L35 HydrophobicContact CG2-CD1 3.8Å; I9-L35 HydrophobicContact CG2-CD2 4.39Å; I9-T37 HydrophobicContact CD1-CG2 3.92Å; I9-E39 PolarHBondContact N-OE1 3.48Å; I9-L50 HydrophobicContact CD1-CD2 3.89Å |
| 10 | R | 96.7 | Very high | 96.5 | Very high | 200 Ų | 200 | 89.4 Ų | 89.4 | 76% | 0.755 | 48% | 0.477 | S | S | * | . | trans | -63.6 | 132.6 | 173.6 | -71.4 | -173 | -69.3 | -169.2 | -4.4 | 109.4 | E30 | R10-E30 WeakPolarHBondContact O-CB 3.4Š| ||
| 11 | R | 97.4 | Very high | 96.5 | Very high | 34 Ų | 34 | 87.3 Ų | 87.3 | 13% | 0.128 | 48% | 0.477 | C | S | . | . | trans | -150.3 | 156 | -173.3 | 59.8 | -172.6 | 73.5 | -153.4 | 7 | 112.3 | L7 I9 S14 I25 G27 A29 L35 T37 E39 | L7-R11 HydrophobicContact CD1-CG 3.7Å; I9-R11 PolarHBondContact O-N 2.89Å; I9-R11 PolarHBondContact O-NE 3.18Å; I9-R11 VanDerWaalsContact O-NE 3.14Å; R11-S14 WeakPolarHBondContact CD-OG 3.46Å; R11-S14 WeakPolarHBondContact CG-OG 3.4Å; R11-I25 HydrophobicContact CG-CD1 4.08Å; R11-G27 PolarHBondContact NH1-O 3.46Å; R11-G27 VanDerWaalsContact NH1-O 3.12Å; R11-A29 CarbonylContact C-O 3.57Å; R11-A29 VanDerWaalsContact CA-O 3.24Å; R11-A29 WeakPolarHBondContact CA-O 3.42Å; R11-L35 HydrophobicContact CB-CD1 3.91Å; R11-T37 PolarHBondContact NH1-O 3.17Å; R11-T37 PolarHBondContact NH2-OG1 3.18Å; R11-E39 IonicContact CZ-OE1 3.44Å; R11-E39 IonicContact NE-OE1 3.6Å; R11-E39 IonicContact NH2-OE1 2.63Å; R11-E39 PolarHBondContact NH2-OE1 3Å | ||
| 12 | H | 97.3 | Very high | 97 | Very high | 90 Ų | 90 | 75.6 Ų | 75.6 | 42% | 0.417 | 43% | 0.433 | S | S | . | . | B | Isolated β-bridge | trans | -134.3 | 165.2 | 167.7 | 60.5 | -70.8 | 0 | 0 | 0 | 109.4 | S14 G28 A29 S31 | H12-S14 PolarHBondContact O-N 2.95Å; H12-S14 VanDerWaalsContact O-N 3.17Å; H12-G28 CarbonylContact O-C 3.57Å; H12-G28 WeakPolarHBondContact O-CA 3.43Å; H12-A29 PolarHBondContact CE1-O 2.98Å; H12-A29 VanDerWaalsContact CE1-O 3.31Å; H12-A29 PolarHBondContact N-O 3.09Å; H12-A29 PolarHBondContact ND1-O 2.86Å; H12-A29 PolarHBondContact O-N 2.85Å; H12-S31 PolarHBondContact CE1-O 2.75Å |
| 13 | Q | 98 | Very high | 97.3 | Very high | 112 Ų | 112 | 72.6 Ų | 72.6 | 52% | 0.523 | 41% | 0.411 | S | S | . | . | S | Bend | trans | 56.2 | 28.7 | -179.2 | -61 | 178.1 | -34.9 | 0 | 0 | 114.7 | R59 G60 | Q13-R59 HydrophobicContact CB-CB 4.48Å; Q13-G60 PolarHBondContact O-N 2.9Å |
| 14 | S | 98.2 | Very high | 97.5 | Very high | 29 Ų | 29 | 69.3 Ų | 69.3 | 20% | 0.203 | 38% | 0.382 | C | S | . | . | trans | -79.6 | 153.4 | 175.1 | -57.7 | 0 | 0 | 0 | 0 | 111.7 | R11 H12 I25 G27 G28 | R11-S14 WeakPolarHBondContact CD-OG 3.46Å; R11-S14 WeakPolarHBondContact CG-OG 3.4Å; H12-S14 PolarHBondContact O-N 2.95Å; H12-S14 VanDerWaalsContact O-N 3.17Å; S14-I25 VanDerWaalsContact CB-CG1 3.46Å; S14-G27 PolarHBondContact OG-O 2.88Å; S14-G28 WeakPolarHBondContact OG-CA 3.48Å | ||
| 15 | A | 98.5 | Very high | 97.6 | Very high | 8 Ų | 8 | 66.4 Ų | 66.4 | 7% | 0.066 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 144.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | I25 I26 A61 V63 | A15-I25 WeakPolarHBondContact O-CA 3.22Å; A15-I26 HydrophobicContact CB-CB 4.42Å; A15-I26 PolarHBondContact N-O 3.46Å; A15-I26 PolarHBondContact O-N 2.89Å; A15-A61 WeakPolarHBondContact CB-O 3.17Å; A15-V63 HydrophobicContact CB-CB 3.81Å; A15-V63 HydrophobicContact CB-CG1 3.58Å |
| 16 | V | 98.1 | Very high | 97.6 | Very high | 82 Ų | 82 | 66.9 Ų | 66.9 | 50% | 0.497 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.3 | 179.9 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | Y24 I25 V63 | V16-Y24 VanDerWaalsContact CA-O 3.25Å; V16-Y24 WeakPolarHBondContact CA-O 3.34Å; V16-I25 HydrophobicContact CG2-CB 4.47Å; V16-I25 HydrophobicContact CG2-CD1 4.15Å; V16-I25 HydrophobicContact CG2-CG1 4Å; V16-V63 VanDerWaalsContact O-CG1 3.23Å; V16-V63 WeakPolarHBondContact O-CG1 3.24Å |
| 17 | C | 97.9 | Very high | 97.6 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 14% | 0.135 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 162.2 | 168.8 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | L23 Y24 V63 V65 | C17-L23 WeakPolarHBondContact O-CA 3.33Å; C17-Y24 PolarHBondContact N-O 3.37Å; C17-Y24 VanDerWaalsContact N-O 3.13Å; C17-Y24 PolarHBondContact O-N 3.35Å; C17-V63 HydrophobicContact CB-CG1 3.85Å; C17-V63 HydrophobicContact CB-CG2 4.28Å; C17-V65 HydrophobicContact CB-CG2 4.08Å |
| 18 | E | 97.3 | Very high | 97.7 | Very high | 107 Ų | 107 | 59.1 Ų | 59.1 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 138 | 164.9 | -174.7 | -79 | 136 | 0 | 0 | 108.7 | G20 G21 Y22 L23 V65 | E18-G20 PolarHBondContact OE1-N 3.25Å; E18-G20 VanDerWaalsContact OE1-N 3.17Å; E18-G21 WeakPolarHBondContact OE1-CA 3.4Å; E18-G21 PolarHBondContact OE1-N 3.13Å; E18-Y22 WeakPolarHBondContact CA-O 3.23Å; E18-L23 HydrophobicContact CB-CD2 3.98Å; E18-L23 HydrophobicContact CG-CD2 4.35Å; E18-V65 WeakPolarHBondContact O-CG2 3.43Å |
| 19 | L | 96 | Very high | 97.7 | Very high | 82 Ų | 82 | 54.4 Ų | 54.4 | 43% | 0.429 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 119.8 | 172.9 | 176.3 | 58.1 | 0 | 0 | 0 | 109.8 | G21 Y22 Y24 V65 | L19-G21 VanDerWaalsContact C-N 3.32Å; L19-G21 PolarHBondContact O-N 2.82Å; L19-Y22 PolarHBondContact N-O 2.74Å; L19-Y22 PolarHBondContact O-N 3.17Å; L19-Y24 HydrophobicContact CB-CD2 4.1Å; L19-Y24 HydrophobicContact CB-CE2 3.78Å; L19-V65 HydrophobicContact CB-CG2 4.04Å; L19-V65 HydrophobicContact CD1-CG1 3.74Å; L19-V65 HydrophobicContact CD1-CG2 4.35Å |
| 20 | G | 94.4 | Very high | 97.6 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 65% | 0.649 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 35.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E18 Y22 | E18-G20 PolarHBondContact OE1-N 3.25Å; E18-G20 VanDerWaalsContact OE1-N 3.17Å; G20-Y22 VanDerWaalsContact C-N 3.33Å; G20-Y22 VanDerWaalsContact O-CD2 3.22Å; G20-Y22 WeakPolarHBondContact O-CD2 3.25Å; G20-Y22 WeakPolarHBondContact O-CE2 3.47Å |
| 21 | G | 96.5 | Very high | 97.4 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 49% | 0.485 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 2.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.8 | E18 L19 | E18-G21 WeakPolarHBondContact OE1-CA 3.4Å; E18-G21 PolarHBondContact OE1-N 3.13Å; L19-G21 VanDerWaalsContact C-N 3.32Å; L19-G21 PolarHBondContact O-N 2.82Å |
| 22 | Y | 98.2 | Very high | 97.2 | Very high | 68 Ų | 68 | 60.3 Ų | 60.3 | 27% | 0.267 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.4 | 179.6 | -58.5 | -79.9 | 0 | 0 | 0 | 111.2 | E18 L19 G20 R40 Y41 N42 | E18-Y22 WeakPolarHBondContact CA-O 3.23Å; L19-Y22 PolarHBondContact N-O 2.74Å; L19-Y22 PolarHBondContact O-N 3.17Å; G20-Y22 VanDerWaalsContact C-N 3.33Å; G20-Y22 VanDerWaalsContact O-CD2 3.22Å; G20-Y22 WeakPolarHBondContact O-CD2 3.25Å; G20-Y22 WeakPolarHBondContact O-CE2 3.47Å; Y22-R40 HydrophobicContact CD1-CG 4.22Å; Y22-R40 HydrophobicContact CG-CG 4.04Å; Y22-Y41 WeakPolarHBondContact CD1-O 3.38Å; Y22-N42 HydrophobicContact CD1-CB 4.02Å; Y22-N42 HydrophobicContact CE1-CB 3.84Å |
| 23 | L | 98.3 | Very high | 97.1 | Very high | 72 Ų | 72 | 61.2 Ų | 61.2 | 38% | 0.377 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 138.8 | 168.5 | -60.3 | 172.3 | 0 | 0 | 0 | 110 | C17 E18 R40 Y41 W48 | C17-L23 WeakPolarHBondContact O-CA 3.33Å; E18-L23 HydrophobicContact CB-CD2 3.98Å; E18-L23 HydrophobicContact CG-CD2 4.35Å; L23-R40 CarbonylContact O-C 3.57Å; L23-R40 VanDerWaalsContact O-CA 3.27Å; L23-R40 WeakPolarHBondContact O-CA 3.45Å; L23-Y41 HydrophobicContact CD1-CD1 4.13Å; L23-Y41 HydrophobicContact CG-CD1 4.49Å; L23-Y41 PolarHBondContact N-O 3.33Å; L23-Y41 PolarHBondContact O-N 3.49Å; L23-W48 HydrophobicContact CB-CH2 4.42Å |
| 24 | Y | 98.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 58.4 Ų | 58.4 | 17% | 0.165 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 130.3 | 176.4 | -69 | -106.1 | 0 | 0 | 0 | 108.8 | V16 C17 L19 V38 E39 R40 I51 | V16-Y24 VanDerWaalsContact CA-O 3.25Å; V16-Y24 WeakPolarHBondContact CA-O 3.34Å; C17-Y24 PolarHBondContact N-O 3.37Å; C17-Y24 VanDerWaalsContact N-O 3.13Å; C17-Y24 PolarHBondContact O-N 3.35Å; L19-Y24 HydrophobicContact CB-CD2 4.1Å; L19-Y24 HydrophobicContact CB-CE2 3.78Å; Y24-V38 HydrophobicContact CD1-CG1 4.23Å; Y24-E39 WeakPolarHBondContact CA-O 3.5Å; Y24-R40 HydrophobicContact CD1-CB 4.19Å; Y24-R40 HydrophobicContact CD1-CG 4.23Å; Y24-R40 HydrophobicContact CD2-CG 4.36Å; Y24-R40 HydrophobicContact CE1-CB 4.06Å; Y24-R40 HydrophobicContact CE1-CG 3.86Å; Y24-R40 HydrophobicContact CE2-CG 3.96Å; Y24-R40 HydrophobicContact CG-CG 4.48Å; Y24-R40 WeakPolarHBondContact OH-CD 3.39Å; Y24-I51 HydrophobicContact CD1-CD1 3.61Å; Y24-I51 HydrophobicContact CE1-CD1 3.43Å; Y24-I51 VanDerWaalsContact CE1-CD1 3.43Å |
| 25 | I | 98.4 | Very high | 97.2 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.9 | 170 | -166.2 | 159.3 | 0 | 0 | 0 | 109.2 | L7 R11 S14 A15 V16 V38 E39 W48 | L7-I25 HydrophobicContact CD1-CD1 3.8Å; L7-I25 HydrophobicContact CD2-CD1 4.37Å; L7-I25 HydrophobicContact CD2-CG2 3.69Å; R11-I25 HydrophobicContact CG-CD1 4.08Å; S14-I25 VanDerWaalsContact CB-CG1 3.46Å; A15-I25 WeakPolarHBondContact O-CA 3.22Å; V16-I25 HydrophobicContact CG2-CB 4.47Å; V16-I25 HydrophobicContact CG2-CD1 4.15Å; V16-I25 HydrophobicContact CG2-CG1 4Å; I25-V38 WeakPolarHBondContact O-CA 3.35Å; I25-E39 HydrophobicContact CG2-CB 3.69Å; I25-E39 PolarHBondContact N-O 3.25Å; I25-E39 PolarHBondContact O-N 3.46Å; I25-W48 HydrophobicContact CB-CH2 4.43Å; I25-W48 HydrophobicContact CB-CZ3 4.08Å; I25-W48 HydrophobicContact CG2-CE3 4.16Å; I25-W48 HydrophobicContact CG2-CH2 4.31Å; I25-W48 HydrophobicContact CG2-CZ3 3.64Å |
| 26 | I | 98.7 | Very high | 97.2 | Very high | 34 Ų | 34 | 60.3 Ų | 60.3 | 17% | 0.174 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 120.9 | -163.2 | -62.5 | 158.4 | 0 | 0 | 0 | 108.7 | A15 V38 M54 V63 | A15-I26 HydrophobicContact CB-CB 4.42Å; A15-I26 PolarHBondContact N-O 3.46Å; A15-I26 PolarHBondContact O-N 2.89Å; I26-V38 HydrophobicContact CB-CG2 4.41Å; I26-V38 HydrophobicContact CG1-CG1 3.7Å; I26-V38 HydrophobicContact CG1-CG2 4.18Å; I26-V38 HydrophobicContact CG2-CG2 4.11Å; I26-M54 HydrophobicContact CG2-CE 3.83Å; I26-M54 HydrophobicContact CG2-CG 4.08Å; I26-M54 HydrophobicContact CG2-SD 3.39Å; I26-M54 WeakPolarHBondContact CG2-SD 3.47Å; I26-V63 HydrophobicContact CD1-CB 4.42Å; I26-V63 HydrophobicContact CD1-CG1 4.47Å; I26-V63 HydrophobicContact CD1-CG2 3.81Å |
| 27 | G | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | 58.9 | -140.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R11 S14 L35 T37 | R11-G27 PolarHBondContact NH1-O 3.46Å; R11-G27 VanDerWaalsContact NH1-O 3.12Å; S14-G27 PolarHBondContact OG-O 2.88Å; G27-L35 VanDerWaalsContact CA-O 3.29Å; G27-L35 WeakPolarHBondContact CA-O 3.32Å; G27-T37 PolarHBondContact N-O 2.65Å | ||
| 28 | G | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | trans | 98.7 | -153.5 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | H12 S14 L35 R58 | H12-G28 CarbonylContact O-C 3.57Å; H12-G28 WeakPolarHBondContact O-CA 3.43Å; S14-G28 WeakPolarHBondContact OG-CA 3.48Å; G28-L35 PolarHBondContact O-N 3.05Å; G28-R58 PolarHBondContact N-O 3.01Å | ||
| 29 | A | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 142.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R11 H12 N33 R59 | R11-A29 CarbonylContact C-O 3.57Å; R11-A29 VanDerWaalsContact CA-O 3.24Å; R11-A29 WeakPolarHBondContact CA-O 3.42Å; H12-A29 PolarHBondContact CE1-O 2.98Å; H12-A29 VanDerWaalsContact CE1-O 3.31Å; H12-A29 PolarHBondContact N-O 3.09Å; H12-A29 PolarHBondContact ND1-O 2.86Å; H12-A29 PolarHBondContact O-N 2.85Å; A29-N33 CarbonylContact C-O 3.6Å; A29-N33 WeakPolarHBondContact CA-O 3.32Å; A29-N33 WeakPolarHBondContact CB-O 3.37Å; A29-R59 HydrophobicContact CB-CB 4.49Å |
| 30 | E | 96.1 | Very high | 97.4 | Very high | 75 Ų | 75 | 51.7 Ų | 51.7 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 108.2 | 163.3 | -174.6 | 178.7 | -138.8 | 0 | 0 | 107.8 | R10 W32 N33 L35 | R10-E30 WeakPolarHBondContact O-CB 3.4Å; E30-W32 PolarHBondContact O-N 2.89Å; E30-W32 VanDerWaalsContact O-N 3.12Å; E30-N33 PolarHBondContact N-O 3.31Å; E30-N33 WeakPolarHBondContact O-CB 3.27Å; E30-N33 PolarHBondContact O-N 2.87Å; E30-L35 HydrophobicContact CB-CD1 4.31Å; E30-L35 HydrophobicContact CB-CD2 4.41Å |
| 31 | S | 91.9 | Very high | 97.6 | Very high | 91 Ų | 91 | 49.7 Ų | 49.7 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | -115.9 | -169.3 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | H12 | H12-S31 PolarHBondContact CE1-O 2.75Š|
| 32 | W | 93.1 | Very high | 97.7 | Very high | 227 Ų | 227 | 48.3 Ų | 48.3 | 86% | 0.86 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -7.1 | 179 | -63.6 | 106.3 | 0 | 0 | 0 | 113.7 | E30 | E30-W32 PolarHBondContact O-N 2.89Å; E30-W32 VanDerWaalsContact O-N 3.12Å |
| 33 | N | 96.4 | Very high | 97.7 | Very high | 108 Ų | 108 | 48.5 Ų | 48.5 | 58% | 0.578 | 25% | 0.246 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 115.5 | -174.9 | -63.2 | -32.2 | 0 | 0 | 0 | 110.5 | A29 E30 | A29-N33 CarbonylContact C-O 3.6Å; A29-N33 WeakPolarHBondContact CA-O 3.32Å; A29-N33 WeakPolarHBondContact CB-O 3.37Å; E30-N33 PolarHBondContact N-O 3.31Å; E30-N33 WeakPolarHBondContact O-CB 3.27Å; E30-N33 PolarHBondContact O-N 2.87Å |
| 34 | C | 98.1 | Very high | 97.7 | Very high | 53 Ų | 53 | 53.3 Ų | 53.3 | 36% | 0.358 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 129.3 | 172.5 | -163.3 | 0 | 0 | 0 | 0 | 109.7 | A57 R58 | C34-A57 HydrophobicContact CB-CB 3.97Å; C34-A57 WeakPolarHBondContact O-CB 3.47Å; C34-R58 PolarHBondContact SG-N 2.81Å |
| 35 | L | 98.6 | Very high | 97.7 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 9% | 0.094 | 28% | 0.281 | C | S | . | . | trans | -95.3 | 140.3 | -176.5 | -61.3 | 173.6 | 0 | 0 | 0 | 110.8 | I9 R11 G27 G28 E30 A57 R58 | I9-L35 HydrophobicContact CG2-CD1 3.8Å; I9-L35 HydrophobicContact CG2-CD2 4.39Å; R11-L35 HydrophobicContact CB-CD1 3.91Å; G27-L35 VanDerWaalsContact CA-O 3.29Å; G27-L35 WeakPolarHBondContact CA-O 3.32Å; G28-L35 PolarHBondContact O-N 3.05Å; E30-L35 HydrophobicContact CB-CD1 4.31Å; E30-L35 HydrophobicContact CB-CD2 4.41Å; L35-A57 WeakPolarHBondContact O-CA 3.48Å; L35-R58 PolarHBondContact O-N 2.92Å | ||
| 36 | N | 98.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 57.9 Ų | 57.9 | 32% | 0.316 | 29% | 0.293 | S | S | . | . | trans | -103.1 | -2.8 | 163 | 72.4 | -25.7 | 0 | 0 | 0 | 112.2 | P53 M54 A57 | N36-P53 CarbonylContact O-C 3.46Å; N36-P53 WeakPolarHBondContact O-CA 3.47Å; N36-P53 WeakPolarHBondContact O-CB 3.15Å; N36-M54 HydrophobicContact CB-CB 4.3Å; N36-M54 WeakPolarHBondContact CB-O 3.37Å; N36-M54 PolarHBondContact ND2-O 3.14Å; N36-M54 PolarHBondContact O-N 3.32Å; N36-A57 HydrophobicContact CB-CB 4.03Å | ||
| 37 | T | 98.8 | Very high | 97.6 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | trans | -70.1 | 147.6 | -176.6 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | I9 R11 G27 L50 | I9-T37 HydrophobicContact CD1-CG2 3.92Å; R11-T37 PolarHBondContact NH1-O 3.17Å; R11-T37 PolarHBondContact NH2-OG1 3.18Å; G27-T37 PolarHBondContact N-O 2.65Å; T37-L50 HydrophobicContact CG2-CD2 4.49Å | ||
| 38 | V | 98.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 60.7 Ų | 60.7 | 7% | 0.067 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.9 | 174 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | Y24 I25 I26 I51 M54 | Y24-V38 HydrophobicContact CD1-CG1 4.23Å; I25-V38 WeakPolarHBondContact O-CA 3.35Å; I26-V38 HydrophobicContact CB-CG2 4.41Å; I26-V38 HydrophobicContact CG1-CG1 3.7Å; I26-V38 HydrophobicContact CG1-CG2 4.18Å; I26-V38 HydrophobicContact CG2-CG2 4.11Å; V38-I51 HydrophobicContact CB-CD1 4.22Å; V38-I51 HydrophobicContact CB-CG1 3.73Å; V38-I51 HydrophobicContact CG1-CD1 3.63Å; V38-I51 HydrophobicContact CG1-CG1 3.66Å; V38-I51 PolarHBondContact O-N 2.87Å; V38-M54 HydrophobicContact CG2-CG 4.25Å |
| 39 | E | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.3 | 170.5 | -64.7 | -179.3 | -117.6 | 0 | 0 | 110 | N8 I9 R11 Y24 I25 W48 T49 L50 | N8-E39 VanDerWaalsContact CB-OE2 3.24Å; N8-E39 WeakPolarHBondContact CB-OE2 3.43Å; N8-E39 PolarHBondContact N-OE1 3.22Å; N8-E39 PolarHBondContact N-OE2 3.22Å; N8-E39 PolarHBondContact ND2-OE2 3.39Å; I9-E39 PolarHBondContact N-OE1 3.48Å; R11-E39 IonicContact CZ-OE1 3.44Å; R11-E39 IonicContact NE-OE1 3.6Å; R11-E39 IonicContact NH2-OE1 2.63Å; R11-E39 PolarHBondContact NH2-OE1 3Å; Y24-E39 WeakPolarHBondContact CA-O 3.5Å; I25-E39 HydrophobicContact CG2-CB 3.69Å; I25-E39 PolarHBondContact N-O 3.25Å; I25-E39 PolarHBondContact O-N 3.46Å; E39-W48 HydrophobicContact CB-CE3 3.86Å; E39-W48 WeakPolarHBondContact OE2-CB 3.41Å; E39-T49 CarbonylContact C-O 3.47Å; E39-T49 VanDerWaalsContact CA-O 3.31Å; E39-T49 WeakPolarHBondContact CA-O 3.4Å; E39-L50 HydrophobicContact CG-CD2 3.65Å; E39-L50 HydrophobicContact CG-CG 4.15Å |
| 40 | R | 98.8 | Very high | 97.7 | Very high | 70 Ų | 70 | 68.2 Ų | 68.2 | 26% | 0.264 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 127.7 | 175.1 | -174.3 | -170.1 | 69.9 | 177.6 | -1 | 109.9 | Y22 L23 Y24 W48 T49 I51 | Y22-R40 HydrophobicContact CD1-CG 4.22Å; Y22-R40 HydrophobicContact CG-CG 4.04Å; L23-R40 CarbonylContact O-C 3.57Å; L23-R40 VanDerWaalsContact O-CA 3.27Å; L23-R40 WeakPolarHBondContact O-CA 3.45Å; Y24-R40 HydrophobicContact CD1-CB 4.19Å; Y24-R40 HydrophobicContact CD1-CG 4.23Å; Y24-R40 HydrophobicContact CD2-CG 4.36Å; Y24-R40 HydrophobicContact CE1-CB 4.06Å; Y24-R40 HydrophobicContact CE1-CG 3.86Å; Y24-R40 HydrophobicContact CE2-CG 3.96Å; Y24-R40 HydrophobicContact CG-CG 4.48Å; Y24-R40 WeakPolarHBondContact OH-CD 3.39Å; R40-W48 CarbonylContact O-C 3.57Å; R40-W48 WeakPolarHBondContact O-CA 3.39Å; R40-T49 PolarHBondContact N-O 2.67Å; R40-T49 PolarHBondContact O-N 2.84Å; R40-I51 HydrophobicContact CB-CD1 4.41Å; R40-I51 HydrophobicContact CB-CG2 3.99Å |
| 41 | Y | 98.8 | Very high | 97.8 | Very high | 22 Ų | 22 | 67.5 Ų | 67.5 | 9% | 0.086 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.4 | 172.6 | -177 | -116.9 | 0 | 0 | 0 | 110.9 | C4 Y22 L23 P43 N46 T47 W48 | C4-Y41 HydrophobicContact CB-CE2 4.18Å; C4-Y41 PolarHBondContact SG-OH 2.84Å; C4-Y41 VanDerWaalsContact SG-OH 3.39Å; Y22-Y41 WeakPolarHBondContact CD1-O 3.38Å; L23-Y41 HydrophobicContact CD1-CD1 4.13Å; L23-Y41 HydrophobicContact CG-CD1 4.49Å; L23-Y41 PolarHBondContact N-O 3.33Å; L23-Y41 PolarHBondContact O-N 3.49Å; Y41-P43 HydrophobicContact CD1-CB 4.47Å; Y41-P43 HydrophobicContact CE1-CB 3.93Å; Y41-N46 WeakPolarHBondContact CE2-OD1 3.29Å; Y41-N46 PolarHBondContact OH-OD1 2.82Å; Y41-T47 CarbonylContact C-O 3.56Å; Y41-T47 VanDerWaalsContact CA-O 3.32Å; Y41-T47 WeakPolarHBondContact CA-O 3.36Å; Y41-T47 WeakPolarHBondContact CD2-O 3.44Å; Y41-W48 AromaticContact CD2-CD1 3.86Å; Y41-W48 AromaticContact CD2-CD2 3.91Å; Y41-W48 HydrophobicContact CD2-CD2 3.91Å; Y41-W48 AromaticContact CD2-CE2 3.58Å; Y41-W48 HydrophobicContact CD2-CG 4.1Å; Y41-W48 HydrophobicContact CD2-CZ2 4.07Å; Y41-W48 AromaticContact CD2-NE1 3.53Å; Y41-W48 HydrophobicContact CG-CD2 4.25Å; Y41-W48 AromaticContact CG-CE2 3.94Å; Y41-W48 HydrophobicContact CG-CH2 4.38Å; Y41-W48 HydrophobicContact CG-CZ2 4.01Å |
| 42 | N | 98.4 | Very high | 98.1 | Very high | 18 Ų | 18 | 67 Ų | 67 | 10% | 0.096 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 115 | 166.2 | -179.2 | -3.6 | 0 | 0 | 0 | 109.9 | Y22 E44 N45 N46 T47 | Y22-N42 HydrophobicContact CD1-CB 4.02Å; Y22-N42 HydrophobicContact CE1-CB 3.84Å; N42-E44 VanDerWaalsContact C-N 3.32Å; N42-E44 PolarHBondContact O-N 3.46Å; N42-E44 WeakPolarHBondContact OD1-CB 3.19Å; N42-E44 PolarHBondContact OD1-N 2.8Å; N42-N45 VanDerWaalsContact CB-OD1 3.32Å; N42-N45 WeakPolarHBondContact CB-OD1 3.32Å; N42-N45 PolarHBondContact O-OD1 2.98Å; N42-N46 WeakPolarHBondContact O-CA 3.24Å; N42-N46 PolarHBondContact O-N 3.27Å; N42-T47 PolarHBondContact N-O 2.8Å; N42-T47 PolarHBondContact O-N 2.87Å |
| 43 | P | 97.6 | Very high | 98.4 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -25.4 | 178.5 | 28.2 | -34.3 | 0 | 0 | 0 | 113.6 | Y41 N45 | Y41-P43 HydrophobicContact CD1-CB 4.47Å; Y41-P43 HydrophobicContact CE1-CB 3.93Å; P43-N45 PolarHBondContact O-N 3.17Å |
| 44 | E | 97.9 | Very high | 98.5 | Very high | 172 Ų | 172 | 56.5 Ų | 56.5 | 80% | 0.804 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -37 | -177.2 | -62.2 | -178.2 | 153.3 | 0 | 0 | 112.6 | N42 | N42-E44 VanDerWaalsContact C-N 3.32Å; N42-E44 PolarHBondContact O-N 3.46Å; N42-E44 WeakPolarHBondContact OD1-CB 3.19Å; N42-E44 PolarHBondContact OD1-N 2.8Å |
| 45 | N | 97.9 | Very high | 98.5 | Very high | 90 Ų | 90 | 62 Ų | 62 | 48% | 0.481 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | 2.6 | -178.9 | 68.4 | 9.4 | 0 | 0 | 0 | 112.9 | N42 P43 T47 | N42-N45 VanDerWaalsContact CB-OD1 3.32Å; N42-N45 WeakPolarHBondContact CB-OD1 3.32Å; N42-N45 PolarHBondContact O-OD1 2.98Å; P43-N45 PolarHBondContact O-N 3.17Å; N45-T47 VanDerWaalsContact CG-OG1 3.25Å; N45-T47 PolarHBondContact ND2-OG1 3Å; N45-T47 WeakPolarHBondContact O-CG2 3.49Å; N45-T47 PolarHBondContact O-N 2.83Å; N45-T47 WeakPolarHBondContact OD1-CB 3.31Å; N45-T47 PolarHBondContact OD1-N 3.12Å; N45-T47 PolarHBondContact OD1-OG1 2.63Å |
| 46 | N | 98.1 | Very high | 98.4 | Very high | 66 Ų | 66 | 65.6 Ų | 65.6 | 35% | 0.353 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 55.4 | -178.3 | -174 | 36.4 | 0 | 0 | 0 | 112.2 | C4 A5 Y41 N42 | C4-N46 WeakPolarHBondContact CA-OD1 2.98Å; A5-N46 WeakPolarHBondContact CB-O 3.49Å; A5-N46 PolarHBondContact N-ND2 2.97Å; A5-N46 PolarHBondContact N-OD1 3.46Å; Y41-N46 WeakPolarHBondContact CE2-OD1 3.29Å; Y41-N46 PolarHBondContact OH-OD1 2.82Å; N42-N46 WeakPolarHBondContact O-CA 3.24Å; N42-N46 PolarHBondContact O-N 3.27Å |
| 47 | T | 98.5 | Very high | 98.4 | Very high | 52 Ų | 52 | 64.8 Ų | 64.8 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 149.8 | 179.2 | 64 | 0 | 0 | 0 | 0 | 112.8 | Y41 N42 N45 | Y41-T47 CarbonylContact C-O 3.56Å; Y41-T47 VanDerWaalsContact CA-O 3.32Å; Y41-T47 WeakPolarHBondContact CA-O 3.36Å; Y41-T47 WeakPolarHBondContact CD2-O 3.44Å; N42-T47 PolarHBondContact N-O 2.8Å; N42-T47 PolarHBondContact O-N 2.87Å; N45-T47 VanDerWaalsContact CG-OG1 3.25Å; N45-T47 PolarHBondContact ND2-OG1 3Å; N45-T47 WeakPolarHBondContact O-CG2 3.49Å; N45-T47 PolarHBondContact O-N 2.83Å; N45-T47 WeakPolarHBondContact OD1-CB 3.31Å; N45-T47 PolarHBondContact OD1-N 3.12Å; N45-T47 PolarHBondContact OD1-OG1 2.63Å |
| 48 | W | 98.8 | Very high | 98.4 | Very high | 41 Ų | 41 | 70.5 Ų | 70.5 | 16% | 0.155 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136.4 | 166.6 | -67.8 | 93.5 | 0 | 0 | 0 | 109.9 | A5 P6 L7 N8 L23 I25 E39 R40 Y41 | A5-W48 VanDerWaalsContact O-CD1 3.24Å; A5-W48 PolarHBondContact O-NE1 3Å; P6-W48 VanDerWaalsContact O-CD1 3.26Å; L7-W48 HydrophobicContact CD2-CD2 3.42Å; L7-W48 VanDerWaalsContact CD2-CD2 3.42Å; L7-W48 HydrophobicContact CD2-CE3 3.54Å; L7-W48 HydrophobicContact CD2-CG 3.96Å; L7-W48 HydrophobicContact CD2-CH2 3.9Å; L7-W48 HydrophobicContact CD2-CZ2 3.79Å; L7-W48 HydrophobicContact CD2-CZ3 3.79Å; N8-W48 WeakPolarHBondContact ND2-CB 3.35Å; N8-W48 PolarHBondContact ND2-O 2.99Å; L23-W48 HydrophobicContact CB-CH2 4.42Å; I25-W48 HydrophobicContact CB-CH2 4.43Å; I25-W48 HydrophobicContact CB-CZ3 4.08Å; I25-W48 HydrophobicContact CG2-CE3 4.16Å; I25-W48 HydrophobicContact CG2-CH2 4.31Å; I25-W48 HydrophobicContact CG2-CZ3 3.64Å; E39-W48 HydrophobicContact CB-CE3 3.86Å; E39-W48 WeakPolarHBondContact OE2-CB 3.41Å; R40-W48 CarbonylContact O-C 3.57Å; R40-W48 WeakPolarHBondContact O-CA 3.39Å; Y41-W48 AromaticContact CD2-CD1 3.86Å; Y41-W48 AromaticContact CD2-CD2 3.91Å; Y41-W48 HydrophobicContact CD2-CD2 3.91Å; Y41-W48 AromaticContact CD2-CE2 3.58Å; Y41-W48 HydrophobicContact CD2-CG 4.1Å; Y41-W48 HydrophobicContact CD2-CZ2 4.07Å; Y41-W48 AromaticContact CD2-NE1 3.53Å; Y41-W48 HydrophobicContact CG-CD2 4.25Å; Y41-W48 AromaticContact CG-CE2 3.94Å; Y41-W48 HydrophobicContact CG-CH2 4.38Å; Y41-W48 HydrophobicContact CG-CZ2 4.01Å |
| 49 | T | 98.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 76.2 Ų | 76.2 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 131.7 | 176.5 | -50.3 | 0 | 0 | 0 | 0 | 109.8 | E39 R40 I51 | E39-T49 CarbonylContact C-O 3.47Å; E39-T49 VanDerWaalsContact CA-O 3.31Å; E39-T49 WeakPolarHBondContact CA-O 3.4Å; R40-T49 PolarHBondContact N-O 2.67Å; R40-T49 PolarHBondContact O-N 2.84Å; T49-I51 PolarHBondContact O-N 3.49Å |
| 50 | L | 98.6 | Very high | 98.3 | Very high | 90 Ų | 90 | 79.1 Ų | 79.1 | 47% | 0.471 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 129.7 | 168.4 | -78 | 164.6 | 0 | 0 | 0 | 109.7 | I9 T37 E39 | I9-L50 HydrophobicContact CD1-CD2 3.89Å; T37-L50 HydrophobicContact CG2-CD2 4.49Å; E39-L50 HydrophobicContact CG-CD2 3.65Å; E39-L50 HydrophobicContact CG-CG 4.15Å |
| 51 | I | 98.6 | Very high | 98.2 | Very high | 61 Ų | 61 | 77.9 Ų | 77.9 | 31% | 0.313 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | -173.2 | 175.9 | 67.9 | 169.2 | 0 | 0 | 0 | 110.3 | Y24 V38 R40 T49 | Y24-I51 HydrophobicContact CD1-CD1 3.61Å; Y24-I51 HydrophobicContact CE1-CD1 3.43Å; Y24-I51 VanDerWaalsContact CE1-CD1 3.43Å; V38-I51 HydrophobicContact CB-CD1 4.22Å; V38-I51 HydrophobicContact CB-CG1 3.73Å; V38-I51 HydrophobicContact CG1-CD1 3.63Å; V38-I51 HydrophobicContact CG1-CG1 3.66Å; V38-I51 PolarHBondContact O-N 2.87Å; R40-I51 HydrophobicContact CB-CD1 4.41Å; R40-I51 HydrophobicContact CB-CG2 3.99Å; T49-I51 PolarHBondContact O-N 3.49Å |
| 52 | A | 98.5 | Very high | 98.1 | Very high | 81 Ų | 81 | 80.6 Ų | 80.6 | 67% | 0.669 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -49.7 | 125.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 53 | P | 98.6 | Very high | 98.1 | Very high | 75 Ų | 75 | 82.3 Ų | 82.3 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -76.1 | 165.9 | 179.8 | 33.1 | -36.1 | 0 | 0 | 0 | 111.3 | N36 | N36-P53 CarbonylContact O-C 3.46Å; N36-P53 WeakPolarHBondContact O-CA 3.47Å; N36-P53 WeakPolarHBondContact O-CB 3.15Å |
| 54 | M | 98.4 | Very high | 98 | Very high | 38 Ų | 38 | 83.3 Ų | 83.3 | 19% | 0.187 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 151.5 | 165.3 | -62.7 | -176.1 | -67.4 | 0 | 0 | 111 | I26 N36 V38 V56 R58 | I26-M54 HydrophobicContact CG2-CE 3.83Å; I26-M54 HydrophobicContact CG2-CG 4.08Å; I26-M54 HydrophobicContact CG2-SD 3.39Å; I26-M54 WeakPolarHBondContact CG2-SD 3.47Å; N36-M54 HydrophobicContact CB-CB 4.3Å; N36-M54 WeakPolarHBondContact CB-O 3.37Å; N36-M54 PolarHBondContact ND2-O 3.14Å; N36-M54 PolarHBondContact O-N 3.32Å; V38-M54 HydrophobicContact CG2-CG 4.25Å; M54-V56 WeakPolarHBondContact CB-O 3.02Å; M54-V56 PolarHBondContact O-N 2.76Å; M54-R58 HydrophobicContact CE-CB 3.95Å; M54-R58 HydrophobicContact CE-CG 4.17Å; M54-R58 HydrophobicContact SD-CG 4.35Å |
| 55 | N | 98.4 | Very high | 97.9 | Very high | 169 Ų | 169 | 78.1 Ų | 78.1 | 90% | 0.904 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -64.4 | -28.5 | 173.6 | -66.2 | -28.8 | 0 | 0 | 0 | 113.1 | ||
| 56 | V | 97.9 | Very high | 97.6 | Very high | 94 Ų | 94 | 80.8 Ų | 80.8 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -133 | 134.3 | -178.2 | -176.8 | 0 | 0 | 0 | 0 | 108.7 | M54 | M54-V56 WeakPolarHBondContact CB-O 3.02Å; M54-V56 PolarHBondContact O-N 2.76Å |
| 57 | A | 98.4 | Very high | 96.7 | Very high | 41 Ų | 41 | 84.8 Ų | 84.8 | 34% | 0.339 | 51% | 0.511 | S | S | . | . | trans | -64.6 | 139.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C34 L35 N36 | C34-A57 HydrophobicContact CB-CB 3.97Å; C34-A57 WeakPolarHBondContact O-CB 3.47Å; L35-A57 WeakPolarHBondContact O-CA 3.48Å; N36-A57 HydrophobicContact CB-CB 4.03Å | ||
| 58 | R | 98.1 | Very high | 94.8 | Very high | 149 Ų | 149 | 84.6 Ų | 84.6 | 56% | 0.562 | 52% | 0.519 | S | S | * | . | trans | -139.7 | 138.7 | -179.5 | -60.1 | 177 | -178.5 | -110.9 | 0.3 | 109.9 | G28 C34 L35 M54 A61 | G28-R58 PolarHBondContact N-O 3.01Å; C34-R58 PolarHBondContact SG-N 2.81Å; L35-R58 PolarHBondContact O-N 2.92Å; M54-R58 HydrophobicContact CE-CB 3.95Å; M54-R58 HydrophobicContact CE-CG 4.17Å; M54-R58 HydrophobicContact SD-CG 4.35Å; R58-A61 HydrophobicContact CB-CB 4.36Å | ||
| 59 | R | 97.6 | Very high | 92.8 | Very high | 132 Ų | 132 | 91.6 Ų | 91.6 | 50% | 0.498 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -131.5 | 145.5 | 170.1 | 66.7 | 178.9 | -178.9 | -170.6 | -1.1 | 109.5 | Q13 A29 A61 | Q13-R59 HydrophobicContact CB-CB 4.48Å; A29-R59 HydrophobicContact CB-CB 4.49Å; R59-A61 VanDerWaalsContact C-N 3.28Å; R59-A61 PolarHBondContact O-N 2.98Å |
| 60 | G | 96.8 | Very high | 90.6 | Very high | 61 Ų | 61 | 96.6 Ų | 96.6 | 63% | 0.629 | 57% | 0.567 | S | S | * | * | S | Bend | trans | 70 | 23.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q13 | Q13-G60 PolarHBondContact O-N 2.9Š|
| 61 | A | 96.7 | Very high | 88.3 | Confident | 43 Ų | 43 | 98.7 Ų | 98.7 | 36% | 0.355 | 59% | 0.586 | S | S | . | * | trans | -87.4 | 156.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | A15 R58 R59 | A15-A61 WeakPolarHBondContact CB-O 3.17Å; R58-A61 HydrophobicContact CB-CB 4.36Å; R59-A61 VanDerWaalsContact C-N 3.28Å; R59-A61 PolarHBondContact O-N 2.98Å | ||
| 62 | G | 97.3 | Very high | 86.2 | Confident | 79 Ų | 79 | 99.3 Ų | 99.3 | 81% | 0.814 | 61% | 0.607 | S | S | * | * | trans | -95.9 | 155.3 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 63 | V | 97.7 | Very high | 83.9 | Confident | 55 Ų | 55 | 102.7 Ų | 102.7 | 33% | 0.333 | 61% | 0.613 | S | S | . | * | trans | -137.3 | 143.5 | 173.8 | 64.2 | 0 | 0 | 0 | 0 | 109.7 | A15 V16 C17 I26 | A15-V63 HydrophobicContact CB-CB 3.81Å; A15-V63 HydrophobicContact CB-CG1 3.58Å; V16-V63 VanDerWaalsContact O-CG1 3.23Å; V16-V63 WeakPolarHBondContact O-CG1 3.24Å; C17-V63 HydrophobicContact CB-CG1 3.85Å; C17-V63 HydrophobicContact CB-CG2 4.28Å; I26-V63 HydrophobicContact CD1-CB 4.42Å; I26-V63 HydrophobicContact CD1-CG1 4.47Å; I26-V63 HydrophobicContact CD1-CG2 3.81Å | ||
| 64 | A | 96.6 | Very high | 81.6 | Confident | 92 Ų | 92 | 108 Ų | 108 | 76% | 0.76 | 63% | 0.631 | S | S | * | * | trans | -139.3 | 149 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 65 | V | 94.9 | Very high | 79.5 | Confident | 64 Ų | 64 | 117.6 Ų | 117.6 | 39% | 0.388 | 67% | 0.665 | S | S | . | * | trans | -92 | 130 | 167.7 | 174.3 | 0 | 0 | 0 | 0 | 107.5 | C17 E18 L19 | C17-V65 HydrophobicContact CB-CG2 4.08Å; E18-V65 WeakPolarHBondContact O-CG2 3.43Å; L19-V65 HydrophobicContact CB-CG2 4.04Å; L19-V65 HydrophobicContact CD1-CG1 3.74Å; L19-V65 HydrophobicContact CD1-CG2 4.35Å | ||
| 66 | L | 92.1 | Very high | 76.9 | Confident | 145 Ų | 145 | 114.4 Ų | 114.4 | 76% | 0.759 | 66% | 0.663 | S | S | * | * | trans | -107.3 | 108.5 | 167.5 | 179.8 | 64.8 | 0 | 0 | 0 | 106.9 | ||||
| 67 | D | 79.6 | Confident | 74.3 | Confident | 150 Ų | 150 | 123 Ų | 123 | 80% | 0.802 | 69% | 0.692 | S | S | * | * | trans | -78.4 | 123.5 | 174.3 | -151.2 | -0.5 | 0 | 0 | 0 | 108.9 | E69 | D67-E69 PolarHBondContact O-N 3.42Å; D67-E69 VanDerWaalsContact O-N 3.09Å | ||
| 68 | G | 59.1 | Low | 73.1 | Confident | 48 Ų | 48 | 127.1 Ų | 127.1 | 50% | 0.495 | 71% | 0.71 | S | S | . | * | trans | -87.1 | 69.1 | -167.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y70 | G68-Y70 VanDerWaalsContact C-N 3.26Å; G68-Y70 PolarHBondContact O-N 3.31Å | ||
| 69 | E | 55.5 | Low | 71.7 | Confident | 188 Ų | 188 | 125.9 Ų | 125.9 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | trans | -77.4 | 92.3 | 148.7 | -78.3 | -161.6 | 168.9 | 0 | 0 | 107.2 | D67 P71 | D67-E69 PolarHBondContact O-N 3.42Å; D67-E69 VanDerWaalsContact O-N 3.09Å; E69-P71 VanDerWaalsContact C-CD 3.45Å; E69-P71 WeakPolarHBondContact O-CD 3.43Å | ||
| 70 | Y | 53.4 | Low | 70.3 | Confident | 174 Ų | 174 | 125.6 Ų | 125.6 | 68% | 0.682 | 73% | 0.73 | S | S | * | * | trans | -86.4 | 96.3 | 159.2 | -68.7 | -83 | 0 | 0 | 0 | 107 | G68 G72 | G68-Y70 VanDerWaalsContact C-N 3.26Å; G68-Y70 PolarHBondContact O-N 3.31Å; Y70-G72 VanDerWaalsContact C-N 3.3Å; Y70-G72 PolarHBondContact O-N 2.84Å | ||
| 71 | P | 49.5 | Very low | 68.7 | Low | 134 Ų | 134 | 129.4 Ų | 129.4 | 87% | 0.87 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 96.9 | 167 | 26.6 | -32.1 | 0 | 0 | 0 | 107.6 | E69 | E69-P71 VanDerWaalsContact C-CD 3.45Å; E69-P71 WeakPolarHBondContact O-CD 3.43Å |
| 72 | G | 54.3 | Low | 67 | Low | 74 Ų | 74 | 134.8 Ų | 134.8 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 143.6 | -2.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 118 | Y70 | Y70-G72 VanDerWaalsContact C-N 3.3Å; Y70-G72 PolarHBondContact O-N 2.84Å |
| 73 | L | 50.3 | Low | 65 | Low | 151 Ų | 151 | 138.5 Ų | 138.5 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | trans | -110.4 | 88.2 | 168.9 | -124.6 | 83 | 0 | 0 | 0 | 109.7 | R75 | L73-R75 PolarHBondContact O-N 3.43Š| ||
| 74 | E | 50.9 | Low | 62.6 | Low | 188 Ų | 188 | 144.4 Ų | 144.4 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -53.5 | 124.3 | 158.4 | -69 | -163.5 | 166.4 | 0 | 0 | 107.2 | A76 | E74-A76 PolarHBondContact O-N 2.96Š| ||
| 75 | R | 53.4 | Low | 60 | Low | 239 Ų | 239 | 148.5 Ų | 148.5 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -54.1 | 108.8 | 172.1 | -74 | -179.6 | 175.1 | -178.7 | -0.9 | 107.1 | L73 K77 | L73-R75 PolarHBondContact O-N 3.43Å; R75-K77 PolarHBondContact O-N 3.12Å | ||
| 76 | A | 45.3 | Very low | 57.1 | Low | 102 Ų | 102 | 155.5 Ų | 155.5 | 84% | 0.843 | 82% | 0.821 | S | S | * | * | trans | -54.3 | 114 | 163.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | E74 | E74-A76 PolarHBondContact O-N 2.96Š| ||
| 77 | K | 42 | Very low | 53.9 | Low | 273 Ų | 273 | 156.5 Ų | 156.5 | 100% | 1.187 | 83% | 0.827 | S | S | * | * | trans | -67.1 | 0 | 172.5 | -73.6 | -176.6 | 177.9 | 178.5 | 0 | 110.2 | R75 | R75-K77 PolarHBondContact O-N 3.12Š|
Retrieved 77 of 77 residues in 73.9 ms
(Link to these results)