| 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 | A | 71.9 | Confident | 86.5 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 79% | 0.793 | 45% | 0.45 | S | S | * | . | 0 | 142.5 | 0 | 0 | 0 | 0 | 0 | 0 | 108.9 | C13 L14 | A1-C13 WeakPolarHBondContact CB-O 3.02Å; A1-L14 VanDerWaalsContact CB-O 3.24Å; A1-L14 WeakPolarHBondContact CB-O 3.25Å | |||
| 2 | S | 86.1 | Confident | 87 | Confident | 76 Ų | 76 | 71.6 Ų | 71.6 | 53% | 0.531 | 46% | 0.459 | S | S | . | . | trans | -119.6 | 131.9 | 179.2 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | R16 N17 | S2-R16 VanDerWaalsContact O-CA 3.32Å; S2-R16 WeakPolarHBondContact O-CA 3.36Å; S2-N17 PolarHBondContact O-N 3.23Å | ||
| 3 | C | 87.6 | Confident | 87.4 | Confident | 14 Ų | 14 | 68.8 Ų | 68.8 | 10% | 0.095 | 44% | 0.442 | C | S | . | . | trans | -123.6 | 117.6 | 177.1 | -70.2 | 0 | 0 | 0 | 0 | 107.8 | P5 C13 A15 | C3-P5 CarbonylContact O-C 3.49Å; C3-C13 HydrophobicContact CB-CB 3.88Å; C3-C13 WeakPolarHBondContact CB-SG 3.02Å; C3-C13 PolarHBondContact N-SG 3.39Å; C3-C13 WeakPolarHBondContact SG-CB 3.36Å; C3-C13 CovalentContact SG-SG 2.04Å; C3-C13 PolarHBondContact SG-SG 2.82Å; C3-A15 PolarHBondContact SG-O 2.81Å | ||
| 4 | E | 89.5 | Confident | 87.6 | Confident | 156 Ų | 156 | 71.9 Ų | 71.9 | 73% | 0.729 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -125.8 | 115.4 | 176.7 | -83 | -179.2 | 170.7 | 0 | 0 | 109.6 | N17 | E4-N17 PolarHBondContact N-OD1 3.26Å; E4-N17 PolarHBondContact O-OD1 3.16Å |
| 5 | P | 88.3 | Confident | 87.5 | Confident | 73 Ų | 73 | 70 Ų | 70 | 47% | 0.474 | 45% | 0.446 | S | S | . | . | S | Bend | cis | -79 | 161.7 | 0.2 | 4.3 | 13.5 | 0 | 0 | 0 | 112.4 | C3 R29 | C3-P5 CarbonylContact O-C 3.49Å; P5-R29 VanDerWaalsContact CB-CZ 3.5Å; P5-R29 PolarHBondContact O-NE 3.07Å; P5-R29 VanDerWaalsContact O-NE 3.12Å |
| 6 | P | 89.8 | Confident | 87.5 | Confident | 90 Ų | 90 | 79.4 Ų | 79.4 | 58% | 0.584 | 47% | 0.47 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 155.5 | -168.2 | 24.8 | -34.6 | 0 | 0 | 0 | 113.3 | R29 | P6-R29 PolarHBondContact O-NE 2.99Å; P6-R29 PolarHBondContact O-NH2 3.06Å |
| 7 | C | 91.2 | Very high | 87.3 | Confident | 23 Ų | 23 | 80.2 Ų | 80.2 | 16% | 0.155 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -62.5 | 138.3 | 171.9 | -49.2 | 0 | 0 | 0 | 0 | 110.1 | G11 C19 | C7-G11 WeakPolarHBondContact CB-O 3.36Å; C7-C19 VanDerWaalsContact CA-SG 3.55Å; C7-C19 HydrophobicContact CB-CB 3.81Å; C7-C19 WeakPolarHBondContact CB-SG 3.48Å; C7-C19 VanDerWaalsContact SG-CA 3.6Å; C7-C19 WeakPolarHBondContact SG-CB 3.29Å; C7-C19 CovalentContact SG-SG 2.03Å; C7-C19 PolarHBondContact SG-SG 3.1Å |
| 8 | Q | 89.9 | Confident | 87.4 | Confident | 77 Ų | 77 | 81.3 Ų | 81.3 | 36% | 0.36 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -92.8 | 167.9 | -179.7 | -59.6 | -163.8 | 22.9 | 0 | 0 | 112.1 | G10 G11 R29 C30 | Q8-G10 VanDerWaalsContact C-N 3.29Å; Q8-G10 PolarHBondContact O-N 2.78Å; Q8-G10 VanDerWaalsContact O-N 3.12Å; Q8-G11 PolarHBondContact O-N 2.77Å; Q8-R29 WeakPolarHBondContact CB-O 3.23Å; Q8-R29 PolarHBondContact N-O 3.39Å; Q8-C30 WeakPolarHBondContact O-CB 3.48Å |
| 9 | H | 86.9 | Confident | 87.6 | Confident | 81 Ų | 81 | 78 Ų | 78 | 38% | 0.375 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.8 | 40.9 | 170.1 | -52.3 | 117.2 | 0 | 0 | 0 | 115.5 | G11 Y25 C30 | H9-G11 VanDerWaalsContact C-N 3.34Å; H9-Y25 HydrophobicContact CB-CD1 3.37Å; H9-Y25 HydrophobicContact CB-CD2 4.06Å; H9-Y25 HydrophobicContact CB-CE1 3.29Å; H9-Y25 HydrophobicContact CB-CE2 4Å; H9-Y25 HydrophobicContact CB-CG 3.75Å; H9-Y25 AromaticContact CD2-CE1 3.63Å; H9-Y25 AromaticContact CG-CD1 3.45Å; H9-Y25 VanDerWaalsContact CG-CD1 3.45Å; H9-Y25 AromaticContact CG-CE1 3.21Å; H9-Y25 AromaticContact CG-CZ 3.94Å; H9-Y25 AromaticContact ND1-CD1 3.43Å; H9-Y25 WeakPolarHBondContact ND1-CD1 3.01Å; H9-Y25 AromaticContact ND1-CE1 3.55Å; H9-C30 PolarHBondContact ND1-O 3.16Å |
| 10 | G | 82.4 | Confident | 87.7 | Confident | 67 Ų | 67 | 77.3 Ų | 77.3 | 69% | 0.691 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | 15.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q8 | Q8-G10 VanDerWaalsContact C-N 3.29Å; Q8-G10 PolarHBondContact O-N 2.78Å; Q8-G10 VanDerWaalsContact O-N 3.12Å |
| 11 | G | 88.3 | Confident | 87.7 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 17% | 0.165 | 45% | 0.446 | C | S | . | . | trans | -67 | 143.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | C7 Q8 H9 T20 | C7-G11 WeakPolarHBondContact CB-O 3.36Å; Q8-G11 PolarHBondContact O-N 2.77Å; H9-G11 VanDerWaalsContact C-N 3.34Å; G11-T20 CarbonylContact C-O 3.39Å; G11-T20 WeakPolarHBondContact CA-O 3.22Å | ||
| 12 | T | 92.1 | Very high | 88.2 | Confident | 90 Ų | 90 | 73.2 Ų | 73.2 | 55% | 0.552 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 132.5 | -179.8 | -55.6 | 0 | 0 | 0 | 0 | 110.9 | L14 T20 | T12-L14 PolarHBondContact O-N 3.23Å; T12-T20 PolarHBondContact N-O 3.28Å; T12-T20 PolarHBondContact O-N 3.44Å; T12-T20 PolarHBondContact O-OG1 2.94Å |
| 13 | C | 92.8 | Very high | 87.7 | Confident | 36 Ų | 36 | 80 Ų | 80 | 24% | 0.243 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 115.2 | 177.6 | -172.9 | 0 | 0 | 0 | 0 | 110.7 | A1 C3 A15 | A1-C13 WeakPolarHBondContact CB-O 3.02Å; C3-C13 HydrophobicContact CB-CB 3.88Å; C3-C13 WeakPolarHBondContact CB-SG 3.02Å; C3-C13 PolarHBondContact N-SG 3.39Å; C3-C13 WeakPolarHBondContact SG-CB 3.36Å; C3-C13 CovalentContact SG-SG 2.04Å; C3-C13 PolarHBondContact SG-SG 2.82Å; C13-A15 PolarHBondContact SG-O 2.04Å |
| 14 | L | 90.2 | Very high | 87 | Confident | 112 Ų | 112 | 80 Ų | 80 | 59% | 0.586 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -35.1 | -178.6 | -96.3 | 149.3 | 0 | 0 | 0 | 113.4 | A1 T12 L18 T20 | A1-L14 VanDerWaalsContact CB-O 3.24Å; A1-L14 WeakPolarHBondContact CB-O 3.25Å; T12-L14 PolarHBondContact O-N 3.23Å; L14-L18 PolarHBondContact N-O 3.24Å; L14-T20 HydrophobicContact CD1-CG2 3.15Å; L14-T20 WeakPolarHBondContact CD1-OG1 3.37Å |
| 15 | A | 85.6 | Confident | 86.7 | Confident | 43 Ų | 43 | 76 Ų | 76 | 36% | 0.355 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | -178.8 | 177 | 0 | 0 | 0 | 0 | 0 | 110 | C3 C13 N17 L18 | C3-A15 PolarHBondContact SG-O 2.81Å; C13-A15 PolarHBondContact SG-O 2.04Å; A15-N17 PolarHBondContact O-N 3.48Å; A15-L18 HydrophobicContact CB-CB 3.99Å; A15-L18 HydrophobicContact CB-CD2 4.12Å; A15-L18 PolarHBondContact O-N 3.14Å |
| 16 | R | 87.6 | Confident | 86.4 | Confident | 220 Ų | 220 | 74.5 Ų | 74.5 | 83% | 0.83 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 113.2 | -179.7 | -171.4 | 178.2 | -178.3 | -175.3 | 0.5 | 110.4 | S2 L18 | S2-R16 VanDerWaalsContact O-CA 3.32Å; S2-R16 WeakPolarHBondContact O-CA 3.36Å; R16-L18 PolarHBondContact O-N 3.18Å |
| 17 | N | 83.9 | Confident | 86.1 | Confident | 94 Ų | 94 | 71.6 Ų | 71.6 | 50% | 0.503 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 28.2 | -177 | -61.9 | -21.5 | 0 | 0 | 0 | 115 | S2 E4 A15 | S2-N17 PolarHBondContact O-N 3.23Å; E4-N17 PolarHBondContact N-OD1 3.26Å; E4-N17 PolarHBondContact O-OD1 3.16Å; A15-N17 PolarHBondContact O-N 3.48Å |
| 18 | L | 88.8 | Confident | 85.8 | Confident | 100 Ų | 100 | 75 Ų | 75 | 52% | 0.524 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 103.9 | 174.6 | -177 | 64.5 | 0 | 0 | 0 | 110 | L14 A15 R16 | L14-L18 PolarHBondContact N-O 3.24Å; A15-L18 HydrophobicContact CB-CB 3.99Å; A15-L18 HydrophobicContact CB-CD2 4.12Å; A15-L18 PolarHBondContact O-N 3.14Å; R16-L18 PolarHBondContact O-N 3.18Å |
| 19 | C | 90.8 | Very high | 85.8 | Confident | 18 Ų | 18 | 74.7 Ų | 74.7 | 12% | 0.122 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138.7 | 177 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | C7 P28 | C7-C19 VanDerWaalsContact CA-SG 3.55Å; C7-C19 HydrophobicContact CB-CB 3.81Å; C7-C19 WeakPolarHBondContact CB-SG 3.48Å; C7-C19 VanDerWaalsContact SG-CA 3.6Å; C7-C19 WeakPolarHBondContact SG-CB 3.29Å; C7-C19 CovalentContact SG-SG 2.03Å; C7-C19 PolarHBondContact SG-SG 3.1Å; C19-P28 WeakPolarHBondContact CB-O 3.41Å; C19-P28 PolarHBondContact SG-O 3.42Å |
| 20 | T | 91.2 | Very high | 85.8 | Confident | 63 Ų | 63 | 70.9 Ų | 70.9 | 39% | 0.387 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 126.3 | 160.6 | 38.7 | 0 | 0 | 0 | 0 | 109.6 | G11 T12 L14 | G11-T20 CarbonylContact C-O 3.39Å; G11-T20 WeakPolarHBondContact CA-O 3.22Å; T12-T20 PolarHBondContact N-O 3.28Å; T12-T20 PolarHBondContact O-N 3.44Å; T12-T20 PolarHBondContact O-OG1 2.94Å; L14-T20 HydrophobicContact CD1-CG2 3.15Å; L14-T20 WeakPolarHBondContact CD1-OG1 3.37Å |
| 21 | C | 86.9 | Confident | 86 | Confident | 46 Ų | 46 | 71 Ų | 71 | 31% | 0.311 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 145.5 | -173.5 | -53.7 | 0 | 0 | 0 | 0 | 112 | Y25 C30 | C21-Y25 WeakPolarHBondContact CB-O 3.44Å; C21-C30 WeakPolarHBondContact CA-SG 3.38Å; C21-C30 HydrophobicContact CB-CB 3.67Å; C21-C30 WeakPolarHBondContact CB-SG 3.43Å; C21-C30 WeakPolarHBondContact SG-CA 3.05Å; C21-C30 WeakPolarHBondContact SG-CB 3.12Å; C21-C30 CovalentContact SG-SG 2.03Å; C21-C30 PolarHBondContact SG-SG 2.8Å |
| 22 | A | 81.7 | Confident | 85.7 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 35% | 0.347 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 157.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | G24 Y25 | A22-G24 PolarHBondContact O-N 3.38Å; A22-Y25 HydrophobicContact CB-CD2 4.23Å; A22-Y25 PolarHBondContact O-N 2.97Å; A22-Y25 VanDerWaalsContact O-N 3.07Å |
| 23 | Y | 75.8 | Confident | 85 | Confident | 219 Ų | 219 | 72.5 Ų | 72.5 | 86% | 0.859 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 129.8 | 178.1 | -178.3 | -92.9 | 0 | 0 | 0 | 110.9 | ||
| 24 | G | 74.2 | Confident | 84.4 | Confident | 14 Ų | 14 | 70.9 Ų | 70.9 | 14% | 0.144 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91 | 4.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | A22 A34 | A22-G24 PolarHBondContact O-N 3.38Å; G24-A34 WeakPolarHBondContact CA-O 3.46Å; G24-A34 CarbonylContact O-C 3.3Å; G24-A34 WeakPolarHBondContact O-CA 3.05Å; G24-A34 PolarHBondContact O-N 2.81Å |
| 25 | Y | 83.1 | Confident | 84 | Confident | 73 Ų | 73 | 69 Ų | 69 | 29% | 0.286 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 142.4 | 172.9 | -58.8 | -88.8 | 0 | 0 | 0 | 111.1 | H9 C21 A22 I32 I33 | H9-Y25 HydrophobicContact CB-CD1 3.37Å; H9-Y25 HydrophobicContact CB-CD2 4.06Å; H9-Y25 HydrophobicContact CB-CE1 3.29Å; H9-Y25 HydrophobicContact CB-CE2 4Å; H9-Y25 HydrophobicContact CB-CG 3.75Å; H9-Y25 AromaticContact CD2-CE1 3.63Å; H9-Y25 AromaticContact CG-CD1 3.45Å; H9-Y25 VanDerWaalsContact CG-CD1 3.45Å; H9-Y25 AromaticContact CG-CE1 3.21Å; H9-Y25 AromaticContact CG-CZ 3.94Å; H9-Y25 AromaticContact ND1-CD1 3.43Å; H9-Y25 WeakPolarHBondContact ND1-CD1 3.01Å; H9-Y25 AromaticContact ND1-CE1 3.55Å; C21-Y25 WeakPolarHBondContact CB-O 3.44Å; A22-Y25 HydrophobicContact CB-CD2 4.23Å; A22-Y25 PolarHBondContact O-N 2.97Å; A22-Y25 VanDerWaalsContact O-N 3.07Å; Y25-I32 CarbonylContact C-O 3.52Å; Y25-I32 VanDerWaalsContact CA-O 3.26Å; Y25-I32 WeakPolarHBondContact CA-O 3.42Å; Y25-I33 HydrophobicContact CD1-CG1 4.15Å; Y25-I33 HydrophobicContact CE1-CD1 4.5Å; Y25-I33 HydrophobicContact CE1-CG1 3.85Å |
| 26 | V | 82.1 | Confident | 83.9 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 25% | 0.248 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 177.4 | 177.8 | -57.9 | 0 | 0 | 0 | 0 | 110.7 | C30 E31 I32 A34 I47 | V26-C30 CarbonylContact O-C 3.49Å; V26-C30 WeakPolarHBondContact O-CA 3.41Å; V26-E31 PolarHBondContact O-N 2.96Å; V26-I32 HydrophobicContact CG2-CB 3.77Å; V26-I32 HydrophobicContact CG2-CD1 4.39Å; V26-I32 HydrophobicContact CG2-CG2 3.86Å; V26-I32 PolarHBondContact N-O 3.15Å; V26-I32 VanDerWaalsContact O-CB 3.26Å; V26-I32 WeakPolarHBondContact O-CB 3.24Å; V26-I32 PolarHBondContact O-N 3.31Å; V26-A34 HydrophobicContact CB-CB 4.46Å; V26-A34 HydrophobicContact CG1-CB 3.89Å; V26-A34 HydrophobicContact CG2-CB 3.86Å; V26-I47 WeakPolarHBondContact CG2-O 3.01Å |
| 27 | G | 81.8 | Confident | 83.8 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 102.1 | 164.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R29 C30 | G27-R29 PolarHBondContact O-N 3.3Å; G27-R29 VanDerWaalsContact O-N 3.13Å; G27-C30 PolarHBondContact O-N 2.03Å |
| 28 | P | 86.2 | Confident | 84 | Confident | 93 Ų | 93 | 60.8 Ų | 60.8 | 60% | 0.604 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -23 | -175.5 | 25.1 | -34.5 | 0 | 0 | 0 | 113.2 | C19 E31 | C19-P28 WeakPolarHBondContact CB-O 3.41Å; C19-P28 PolarHBondContact SG-O 3.42Å; P28-E31 WeakPolarHBondContact CD-OE1 3.29Å; P28-E31 WeakPolarHBondContact CG-OE1 3.06Å |
| 29 | R | 89.3 | Confident | 83.9 | Confident | 72 Ų | 72 | 59.5 Ų | 59.5 | 27% | 0.272 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | 18.9 | 178.2 | -61.6 | 178.8 | 58.3 | -140 | -15.5 | 112.3 | P5 P6 Q8 G27 E31 | P5-R29 VanDerWaalsContact CB-CZ 3.5Å; P5-R29 PolarHBondContact O-NE 3.07Å; P5-R29 VanDerWaalsContact O-NE 3.12Å; P6-R29 PolarHBondContact O-NE 2.99Å; P6-R29 PolarHBondContact O-NH2 3.06Å; Q8-R29 WeakPolarHBondContact CB-O 3.23Å; Q8-R29 PolarHBondContact N-O 3.39Å; G27-R29 PolarHBondContact O-N 3.3Å; G27-R29 VanDerWaalsContact O-N 3.13Å; R29-E31 WeakPolarHBondContact CA-OE2 3.41Å; R29-E31 WeakPolarHBondContact CB-OE2 3.41Å; R29-E31 PolarHBondContact N-OE2 3.43Å; R29-E31 PolarHBondContact O-N 2.04Å |
| 30 | C | 87.7 | Confident | 83.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 57.6 | 27.7 | -177.9 | -46 | 0 | 0 | 0 | 0 | 114 | Q8 H9 C21 V26 G27 | Q8-C30 WeakPolarHBondContact O-CB 3.48Å; H9-C30 PolarHBondContact ND1-O 3.16Å; C21-C30 WeakPolarHBondContact CA-SG 3.38Å; C21-C30 HydrophobicContact CB-CB 3.67Å; C21-C30 WeakPolarHBondContact CB-SG 3.43Å; C21-C30 WeakPolarHBondContact SG-CA 3.05Å; C21-C30 WeakPolarHBondContact SG-CB 3.12Å; C21-C30 CovalentContact SG-SG 2.03Å; C21-C30 PolarHBondContact SG-SG 2.8Å; V26-C30 CarbonylContact O-C 3.49Å; V26-C30 WeakPolarHBondContact O-CA 3.41Å; G27-C30 PolarHBondContact O-N 2.03Å |
| 31 | E | 86.8 | Confident | 83.9 | Confident | 71 Ų | 71 | 62 Ų | 62 | 33% | 0.332 | 34% | 0.344 | S | S | . | . | trans | -80.4 | -19.5 | -176.7 | 69.2 | -86 | -144.7 | 0 | 0 | 112.7 | V26 P28 R29 | V26-E31 PolarHBondContact O-N 2.96Å; P28-E31 WeakPolarHBondContact CD-OE1 3.29Å; P28-E31 WeakPolarHBondContact CG-OE1 3.06Å; R29-E31 WeakPolarHBondContact CA-OE2 3.41Å; R29-E31 WeakPolarHBondContact CB-OE2 3.41Å; R29-E31 PolarHBondContact N-OE2 3.43Å; R29-E31 PolarHBondContact O-N 2.04Å | ||
| 32 | I | 80.5 | Confident | 84.1 | Confident | 54 Ų | 54 | 63.4 Ų | 63.4 | 28% | 0.277 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 120.7 | -177.4 | -52.9 | 174.8 | 0 | 0 | 0 | 109.2 | Y25 V26 A34 R48 | Y25-I32 CarbonylContact C-O 3.52Å; Y25-I32 VanDerWaalsContact CA-O 3.26Å; Y25-I32 WeakPolarHBondContact CA-O 3.42Å; V26-I32 HydrophobicContact CG2-CB 3.77Å; V26-I32 HydrophobicContact CG2-CD1 4.39Å; V26-I32 HydrophobicContact CG2-CG2 3.86Å; V26-I32 PolarHBondContact N-O 3.15Å; V26-I32 VanDerWaalsContact O-CB 3.26Å; V26-I32 WeakPolarHBondContact O-CB 3.24Å; V26-I32 PolarHBondContact O-N 3.31Å; I32-A34 PolarHBondContact O-N 3.36Å; I32-R48 HydrophobicContact CG2-CG 4.21Å |
| 33 | I | 78.6 | Confident | 84.3 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 43% | 0.426 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 114.2 | 169.3 | -52 | -178.1 | 0 | 0 | 0 | 108.6 | Y25 V35 N49 | Y25-I33 HydrophobicContact CD1-CG1 4.15Å; Y25-I33 HydrophobicContact CE1-CD1 4.5Å; Y25-I33 HydrophobicContact CE1-CG1 3.85Å; I33-V35 HydrophobicContact CG2-CB 4.24Å; I33-V35 HydrophobicContact CG2-CG2 3.61Å; I33-N49 PolarHBondContact O-N 2.92Å; I33-N49 VanDerWaalsContact O-N 3.07Å |
| 34 | A | 79.3 | Confident | 85 | Confident | 2 Ų | 2 | 55 Ų | 55 | 2% | 0.017 | 33% | 0.332 | C | S | . | . | trans | -112.3 | 61.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G24 V26 I32 C46 | G24-A34 WeakPolarHBondContact CA-O 3.46Å; G24-A34 CarbonylContact O-C 3.3Å; G24-A34 WeakPolarHBondContact O-CA 3.05Å; G24-A34 PolarHBondContact O-N 2.81Å; V26-A34 HydrophobicContact CB-CB 4.46Å; V26-A34 HydrophobicContact CG1-CB 3.89Å; V26-A34 HydrophobicContact CG2-CB 3.86Å; I32-A34 PolarHBondContact O-N 3.36Å; A34-C46 HydrophobicContact CB-CB 4.35Å; A34-C46 WeakPolarHBondContact CB-O 3.23Å; A34-C46 WeakPolarHBondContact O-CB 3.5Å; A34-C46 PolarHBondContact O-SG 2.77Å | ||
| 35 | V | 81.4 | Confident | 85.6 | Confident | 73 Ų | 73 | 61 Ų | 61 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | trans | -89.4 | 124.2 | 171 | 177.1 | 0 | 0 | 0 | 0 | 108.4 | I33 C46 N49 N50 | I33-V35 HydrophobicContact CG2-CB 4.24Å; I33-V35 HydrophobicContact CG2-CG2 3.61Å; V35-C46 VanDerWaalsContact C-SG 3.52Å; V35-N49 WeakPolarHBondContact O-CA 3.46Å; V35-N49 PolarHBondContact O-OD1 3.2Å; V35-N50 PolarHBondContact O-N 2.85Å | ||
| 36 | C | 84.1 | Confident | 85.9 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 12% | 0.122 | 35% | 0.351 | C | S | . | . | trans | -115.1 | 111.8 | 174.4 | -74.6 | 0 | 0 | 0 | 0 | 107.9 | P38 P39 C46 | C36-P38 CarbonylContact C-O 3.57Å; C36-P38 CarbonylContact O-C 3.56Å; C36-P38 VanDerWaalsContact O-C 3.32Å; C36-P39 WeakPolarHBondContact O-CA 3.33Å; C36-C46 HydrophobicContact CB-CB 3.83Å; C36-C46 WeakPolarHBondContact CB-SG 3.23Å; C36-C46 PolarHBondContact N-SG 2.77Å; C36-C46 WeakPolarHBondContact SG-CB 3.48Å; C36-C46 CovalentContact SG-SG 2.03Å; C36-C46 PolarHBondContact SG-SG 2.81Å | ||
| 37 | S | 86.3 | Confident | 86 | Confident | 94 Ų | 94 | 60.4 Ų | 60.4 | 66% | 0.657 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -125.2 | 110.5 | 175.9 | -168.7 | 0 | 0 | 0 | 0 | 110 | N50 | S37-N50 PolarHBondContact N-OD1 3.26Å; S37-N50 PolarHBondContact O-OD1 2.03Å |
| 38 | P | 87.8 | Confident | 86.1 | Confident | 71 Ų | 71 | 66.4 Ų | 66.4 | 46% | 0.461 | 37% | 0.371 | S | S | . | . | S | Bend | cis | -78.8 | 160.9 | 4.9 | -3.1 | 20.5 | 0 | 0 | 0 | 112.8 | C36 R62 | C36-P38 CarbonylContact C-O 3.57Å; C36-P38 CarbonylContact O-C 3.56Å; C36-P38 VanDerWaalsContact O-C 3.32Å; P38-R62 PolarHBondContact O-NE 2.77Å |
| 39 | P | 87 | Confident | 86 | Confident | 74 Ų | 74 | 66.6 Ų | 66.6 | 48% | 0.481 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 155.9 | -169.9 | 24.9 | -34.7 | 0 | 0 | 0 | 113.2 | C36 R62 | C36-P39 WeakPolarHBondContact O-CA 3.33Å; P39-R62 VanDerWaalsContact O-CZ 3.26Å; P39-R62 PolarHBondContact O-NE 3.48Å; P39-R62 PolarHBondContact O-NH2 3.31Å |
| 40 | C | 90.5 | Very high | 85.7 | Confident | 24 Ų | 24 | 67.6 Ų | 67.6 | 16% | 0.162 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 142.4 | 171.5 | -52 | 0 | 0 | 0 | 0 | 110.3 | G44 C52 | C40-G44 VanDerWaalsContact CB-O 3.23Å; C40-G44 WeakPolarHBondContact CB-O 3.45Å; C40-C52 VanDerWaalsContact CA-SG 3.52Å; C40-C52 HydrophobicContact CB-CB 3.83Å; C40-C52 WeakPolarHBondContact CB-SG 3.44Å; C40-C52 WeakPolarHBondContact SG-CB 3.01Å; C40-C52 CovalentContact SG-SG 2.03Å; C40-C52 PolarHBondContact SG-SG 2.84Å |
| 41 | K | 91.6 | Very high | 85.8 | Confident | 110 Ų | 110 | 70.8 Ų | 70.8 | 48% | 0.478 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -100.4 | 169.1 | 179 | -69 | -161.8 | 171.3 | -166.7 | 0 | 111.2 | G43 G44 R62 C63 Q64 | K41-G43 VanDerWaalsContact C-N 3.25Å; K41-G43 PolarHBondContact O-N 2.84Å; K41-G43 VanDerWaalsContact O-N 3.16Å; K41-G44 PolarHBondContact O-N 3.41Å; K41-R62 WeakPolarHBondContact CB-O 3.46Å; K41-R62 PolarHBondContact N-O 3.38Å; K41-C63 WeakPolarHBondContact O-CB 3.33Å; K41-Q64 HydrophobicContact CD-CB 4.1Å |
| 42 | N | 89.6 | Confident | 86 | Confident | 75 Ų | 75 | 68.3 Ų | 68.3 | 40% | 0.401 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 36.3 | 169.9 | -57.2 | -39 | 0 | 0 | 0 | 114.4 | G44 P55 Y58 C63 | N42-G44 VanDerWaalsContact C-N 3.31Å; N42-G44 PolarHBondContact O-N 3.23Å; N42-P55 WeakPolarHBondContact O-CG 3.42Å; N42-Y58 HydrophobicContact CB-CD1 3.61Å; N42-Y58 HydrophobicContact CB-CD2 4.34Å; N42-Y58 HydrophobicContact CB-CE1 3.47Å; N42-Y58 VanDerWaalsContact CB-CE1 3.47Å; N42-Y58 HydrophobicContact CB-CE2 4.2Å; N42-Y58 HydrophobicContact CB-CG 4.03Å; N42-Y58 VanDerWaalsContact CG-CE1 3.42Å; N42-Y58 WeakPolarHBondContact ND2-CD1 3.28Å; N42-Y58 WeakPolarHBondContact ND2-CE1 3.09Å; N42-C63 PolarHBondContact ND2-O 3.25Å |
| 43 | G | 86.6 | Confident | 86.5 | Confident | 69 Ų | 69 | 68.5 Ų | 68.5 | 71% | 0.711 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.6 | 8.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115 | K41 | K41-G43 VanDerWaalsContact C-N 3.25Å; K41-G43 PolarHBondContact O-N 2.84Å; K41-G43 VanDerWaalsContact O-N 3.16Å |
| 44 | G | 90.3 | Very high | 87.1 | Confident | 14 Ų | 14 | 66.6 Ų | 66.6 | 14% | 0.144 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 139.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | C40 K41 N42 S53 | C40-G44 VanDerWaalsContact CB-O 3.23Å; C40-G44 WeakPolarHBondContact CB-O 3.45Å; K41-G44 PolarHBondContact O-N 3.41Å; N42-G44 VanDerWaalsContact C-N 3.31Å; N42-G44 PolarHBondContact O-N 3.23Å; G44-S53 CarbonylContact C-O 3.3Å; G44-S53 VanDerWaalsContact CA-O 3.27Å; G44-S53 WeakPolarHBondContact CA-O 3.39Å |
| 45 | Q | 88.1 | Confident | 87.6 | Confident | 141 Ų | 141 | 68.8 Ų | 68.8 | 66% | 0.659 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 131.1 | 178 | -68.2 | -175.8 | -3.7 | 0 | 0 | 110 | I47 C52 S53 | Q45-I47 PolarHBondContact O-N 3.11Å; Q45-C52 CarbonylContact O-C 3.48Å; Q45-C52 WeakPolarHBondContact O-CA 3.3Å; Q45-S53 PolarHBondContact N-O 3.25Å; Q45-S53 PolarHBondContact O-N 3.31Å |
| 46 | C | 87.8 | Confident | 88 | Confident | 25 Ų | 25 | 74 Ų | 74 | 17% | 0.169 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 118.7 | 171.8 | -163.5 | 0 | 0 | 0 | 0 | 108.4 | A34 V35 C36 R48 | A34-C46 HydrophobicContact CB-CB 4.35Å; A34-C46 WeakPolarHBondContact CB-O 3.23Å; A34-C46 WeakPolarHBondContact O-CB 3.5Å; A34-C46 PolarHBondContact O-SG 2.77Å; V35-C46 VanDerWaalsContact C-SG 3.52Å; C36-C46 HydrophobicContact CB-CB 3.83Å; C36-C46 WeakPolarHBondContact CB-SG 3.23Å; C36-C46 PolarHBondContact N-SG 2.77Å; C36-C46 WeakPolarHBondContact SG-CB 3.48Å; C36-C46 CovalentContact SG-SG 2.03Å; C36-C46 PolarHBondContact SG-SG 2.81Å; C46-R48 PolarHBondContact SG-O 3.07Å |
| 47 | I | 85.9 | Confident | 88.1 | Confident | 76 Ų | 76 | 74.1 Ų | 74.1 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | -11 | -176.8 | 58.4 | 161.3 | 0 | 0 | 0 | 112.7 | V26 Q45 V51 | V26-I47 WeakPolarHBondContact CG2-O 3.01Å; Q45-I47 PolarHBondContact O-N 3.11Å; I47-V51 HydrophobicContact CD1-CG1 4.22Å; I47-V51 HydrophobicContact CG1-CB 4.47Å; I47-V51 HydrophobicContact CG1-CG1 4.07Å; I47-V51 WeakPolarHBondContact CG1-O 3.24Å; I47-V51 PolarHBondContact N-O 3.1Å |
| 48 | R | 81.9 | Confident | 88.3 | Confident | 156 Ų | 156 | 72.4 Ų | 72.4 | 59% | 0.589 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 163.5 | 172.1 | -165.4 | 176.5 | -72.2 | 175.7 | -4.4 | 107.8 | I32 C46 N50 V51 | I32-R48 HydrophobicContact CG2-CG 4.21Å; C46-R48 PolarHBondContact SG-O 3.07Å; R48-N50 PolarHBondContact O-N 3.31Å; R48-V51 HydrophobicContact CB-CB 3.96Å; R48-V51 HydrophobicContact CB-CG2 4.12Å; R48-V51 PolarHBondContact N-O 2.04Å; R48-V51 PolarHBondContact O-N 2.04Å |
| 49 | N | 84.2 | Confident | 88.3 | Confident | 96 Ų | 96 | 72.3 Ų | 72.3 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | 115.1 | 175.4 | -168.5 | 33.3 | 0 | 0 | 0 | 112 | I33 V35 V51 | I33-N49 PolarHBondContact O-N 2.92Å; I33-N49 VanDerWaalsContact O-N 3.07Å; V35-N49 WeakPolarHBondContact O-CA 3.46Å; V35-N49 PolarHBondContact O-OD1 3.2Å; N49-V51 PolarHBondContact O-N 3.07Å |
| 50 | N | 84.6 | Confident | 88.5 | Confident | 94 Ų | 94 | 70.1 Ų | 70.1 | 50% | 0.503 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 21.8 | -175.5 | -62.5 | -43.4 | 0 | 0 | 0 | 116.7 | V35 S37 R48 | V35-N50 PolarHBondContact O-N 2.85Å; S37-N50 PolarHBondContact N-OD1 3.26Å; S37-N50 PolarHBondContact O-OD1 2.03Å; R48-N50 PolarHBondContact O-N 3.31Å |
| 51 | V | 88.8 | Confident | 88.5 | Confident | 67 Ų | 67 | 77.8 Ų | 77.8 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 114.1 | 174.5 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | I47 R48 N49 | I47-V51 HydrophobicContact CD1-CG1 4.22Å; I47-V51 HydrophobicContact CG1-CB 4.47Å; I47-V51 HydrophobicContact CG1-CG1 4.07Å; I47-V51 WeakPolarHBondContact CG1-O 3.24Å; I47-V51 PolarHBondContact N-O 3.1Å; R48-V51 HydrophobicContact CB-CB 3.96Å; R48-V51 HydrophobicContact CB-CG2 4.12Å; R48-V51 PolarHBondContact N-O 2.04Å; R48-V51 PolarHBondContact O-N 2.04Å; N49-V51 PolarHBondContact O-N 3.07Å |
| 52 | C | 90.4 | Very high | 88.5 | Confident | 19 Ų | 19 | 76 Ų | 76 | 13% | 0.128 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 130.9 | 175.2 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | C40 Q45 | C40-C52 VanDerWaalsContact CA-SG 3.52Å; C40-C52 HydrophobicContact CB-CB 3.83Å; C40-C52 WeakPolarHBondContact CB-SG 3.44Å; C40-C52 WeakPolarHBondContact SG-CB 3.01Å; C40-C52 CovalentContact SG-SG 2.03Å; C40-C52 PolarHBondContact SG-SG 2.84Å; Q45-C52 CarbonylContact O-C 3.48Å; Q45-C52 WeakPolarHBondContact O-CA 3.3Å |
| 53 | S | 91.3 | Very high | 88.6 | Confident | 57 Ų | 57 | 72.4 Ų | 72.4 | 40% | 0.399 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.7 | 160.5 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | G44 Q45 | G44-S53 CarbonylContact C-O 3.3Å; G44-S53 VanDerWaalsContact CA-O 3.27Å; G44-S53 WeakPolarHBondContact CA-O 3.39Å; Q45-S53 PolarHBondContact N-O 3.25Å; Q45-S53 PolarHBondContact O-N 3.31Å |
| 54 | C | 92.4 | Very high | 88.8 | Confident | 43 Ų | 43 | 73.1 Ų | 73.1 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -96 | 138.1 | -175.4 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | Y58 C63 | C54-Y58 WeakPolarHBondContact CB-O 3.3Å; C54-C63 WeakPolarHBondContact CA-SG 3.26Å; C54-C63 HydrophobicContact CB-CB 3.69Å; C54-C63 WeakPolarHBondContact CB-SG 3.15Å; C54-C63 WeakPolarHBondContact SG-CA 3.33Å; C54-C63 WeakPolarHBondContact SG-CB 3.33Å; C54-C63 CovalentContact SG-SG 2.04Å; C54-C63 PolarHBondContact SG-SG 2.98Å |
| 55 | P | 89.9 | Confident | 88.6 | Confident | 48 Ų | 48 | 78.7 Ų | 78.7 | 31% | 0.312 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 162.1 | 170.7 | 25.5 | -28.8 | 0 | 0 | 0 | 110.6 | N42 G57 Y58 | N42-P55 WeakPolarHBondContact O-CG 3.42Å; P55-G57 PolarHBondContact O-N 2.76Å; P55-Y58 HydrophobicContact CG-CD2 3.81Å; P55-Y58 HydrophobicContact CG-CE2 4.43Å; P55-Y58 HydrophobicContact CG-CG 4.5Å; P55-Y58 PolarHBondContact O-N 2.95Å; P55-Y58 VanDerWaalsContact O-N 3.1Å |
| 56 | E | 88.5 | Confident | 88.5 | Confident | 183 Ų | 183 | 73.5 Ų | 73.5 | 86% | 0.855 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | 137.5 | 179 | -165.6 | -179.2 | 171.2 | 0 | 0 | 111.3 | Y58 | E56-Y58 VanDerWaalsContact C-N 3.32Å; E56-Y58 PolarHBondContact O-N 3.14Å |
| 57 | G | 86.5 | Confident | 88.2 | Confident | 20 Ų | 20 | 75.2 Ų | 75.2 | 21% | 0.206 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 9.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P55 S66 V67 | P55-G57 PolarHBondContact O-N 2.76Å; G57-S66 CarbonylContact O-C 3.57Å; G57-V67 PolarHBondContact O-N 2.81Å |
| 58 | Y | 89.8 | Confident | 87.7 | Confident | 59 Ų | 59 | 72.9 Ų | 72.9 | 23% | 0.231 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 150.5 | 172 | -64.3 | -86.7 | 0 | 0 | 0 | 112.6 | N42 C54 P55 E56 K65 P81 | N42-Y58 HydrophobicContact CB-CD1 3.61Å; N42-Y58 HydrophobicContact CB-CD2 4.34Å; N42-Y58 HydrophobicContact CB-CE1 3.47Å; N42-Y58 VanDerWaalsContact CB-CE1 3.47Å; N42-Y58 HydrophobicContact CB-CE2 4.2Å; N42-Y58 HydrophobicContact CB-CG 4.03Å; N42-Y58 VanDerWaalsContact CG-CE1 3.42Å; N42-Y58 WeakPolarHBondContact ND2-CD1 3.28Å; N42-Y58 WeakPolarHBondContact ND2-CE1 3.09Å; C54-Y58 WeakPolarHBondContact CB-O 3.3Å; P55-Y58 HydrophobicContact CG-CD2 3.81Å; P55-Y58 HydrophobicContact CG-CE2 4.43Å; P55-Y58 HydrophobicContact CG-CG 4.5Å; P55-Y58 PolarHBondContact O-N 2.95Å; P55-Y58 VanDerWaalsContact O-N 3.1Å; E56-Y58 VanDerWaalsContact C-N 3.32Å; E56-Y58 PolarHBondContact O-N 3.14Å; Y58-K65 CarbonylContact C-O 3.51Å; Y58-K65 VanDerWaalsContact CA-O 3.3Å; Y58-K65 WeakPolarHBondContact CA-O 3.28Å; Y58-P81 HydrophobicContact CD2-CG 3.84Å; Y58-P81 HydrophobicContact CE1-CG 4.27Å; Y58-P81 HydrophobicContact CE2-CG 3.27Å; Y58-P81 WeakPolarHBondContact OH-CD 3.03Å |
| 59 | T | 89.5 | Confident | 87.2 | Confident | 69 Ų | 69 | 72.9 Ų | 72.9 | 42% | 0.423 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 177.9 | -177.5 | -166.9 | 0 | 0 | 0 | 0 | 112.2 | C63 Q64 K65 V67 | T59-C63 CarbonylContact O-C 3.34Å; T59-C63 VanDerWaalsContact O-C 3.3Å; T59-C63 VanDerWaalsContact O-CA 3.3Å; T59-C63 WeakPolarHBondContact O-CA 3Å; T59-Q64 PolarHBondContact O-N 2.92Å; T59-K65 HydrophobicContact CG2-CB 3.68Å; T59-K65 HydrophobicContact CG2-CD 4.43Å; T59-K65 PolarHBondContact N-O 3.36Å; T59-K65 WeakPolarHBondContact O-CB 3.03Å; T59-K65 PolarHBondContact O-N 3.45Å; T59-V67 HydrophobicContact CG2-CG2 3.55Å |
| 60 | G | 90.1 | Very high | 86.6 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | S | Bend | trans | 91.1 | 165.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R62 C63 | G60-R62 PolarHBondContact O-N 3.2Å; G60-C63 PolarHBondContact O-N 2.95Å |
| 61 | K | 90.1 | Very high | 86.6 | Confident | 184 Ų | 184 | 72.2 Ų | 72.2 | 80% | 0.8 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -28.8 | -173.4 | -69.2 | -174.8 | 171.8 | -178 | 0 | 114.6 | ||
| 62 | R | 92.2 | Very high | 86.5 | Confident | 72 Ų | 72 | 70.1 Ų | 70.1 | 27% | 0.272 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 20.6 | 179.8 | -66.7 | 175.8 | 52 | -154.9 | -5.5 | 112.1 | P38 P39 K41 G60 Q64 | P38-R62 PolarHBondContact O-NE 2.77Å; P39-R62 VanDerWaalsContact O-CZ 3.26Å; P39-R62 PolarHBondContact O-NE 3.48Å; P39-R62 PolarHBondContact O-NH2 3.31Å; K41-R62 WeakPolarHBondContact CB-O 3.46Å; K41-R62 PolarHBondContact N-O 3.38Å; G60-R62 PolarHBondContact O-N 3.2Å; R62-Q64 PolarHBondContact O-N 2.78Å; R62-Q64 VanDerWaalsContact O-N 3.15Å |
| 63 | C | 91.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 39% | 0.388 | C | S | . | . | S | Bend | trans | 58.3 | 26.5 | -176.7 | -44.1 | 0 | 0 | 0 | 0 | 113.8 | K41 N42 C54 T59 G60 | K41-C63 WeakPolarHBondContact O-CB 3.33Å; N42-C63 PolarHBondContact ND2-O 3.25Å; C54-C63 WeakPolarHBondContact CA-SG 3.26Å; C54-C63 HydrophobicContact CB-CB 3.69Å; C54-C63 WeakPolarHBondContact CB-SG 3.15Å; C54-C63 WeakPolarHBondContact SG-CA 3.33Å; C54-C63 WeakPolarHBondContact SG-CB 3.33Å; C54-C63 CovalentContact SG-SG 2.04Å; C54-C63 PolarHBondContact SG-SG 2.98Å; T59-C63 CarbonylContact O-C 3.34Å; T59-C63 VanDerWaalsContact O-C 3.3Å; T59-C63 VanDerWaalsContact O-CA 3.3Å; T59-C63 WeakPolarHBondContact O-CA 3Å; G60-C63 PolarHBondContact O-N 2.95Å |
| 64 | Q | 90.8 | Very high | 86.5 | Confident | 85 Ų | 85 | 74 Ų | 74 | 40% | 0.397 | 39% | 0.388 | S | S | . | . | trans | -83.3 | -13 | -173.4 | 75.5 | -79.7 | 11 | 0 | 0 | 113.7 | K41 T59 R62 | K41-Q64 HydrophobicContact CD-CB 4.1Å; T59-Q64 PolarHBondContact O-N 2.92Å; R62-Q64 PolarHBondContact O-N 2.78Å; R62-Q64 VanDerWaalsContact O-N 3.15Å | ||
| 65 | K | 87.1 | Confident | 86.2 | Confident | 130 Ų | 130 | 74.8 Ų | 74.8 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 129.9 | 179.4 | -63.9 | -178 | 176.1 | -174.4 | 0 | 108.7 | Y58 T59 | Y58-K65 CarbonylContact C-O 3.51Å; Y58-K65 VanDerWaalsContact CA-O 3.3Å; Y58-K65 WeakPolarHBondContact CA-O 3.28Å; T59-K65 HydrophobicContact CG2-CB 3.68Å; T59-K65 HydrophobicContact CG2-CD 4.43Å; T59-K65 PolarHBondContact N-O 3.36Å; T59-K65 WeakPolarHBondContact O-CB 3.03Å; T59-K65 PolarHBondContact O-N 3.45Å |
| 66 | S | 84.5 | Confident | 86.3 | Confident | 33 Ų | 33 | 73.1 Ų | 73.1 | 23% | 0.231 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.9 | 170.9 | -50.3 | 0 | 0 | 0 | 0 | 109.5 | G57 | G57-S66 CarbonylContact O-C 3.57Å |
| 67 | V | 82 | Confident | 86.3 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -96.5 | 117.6 | 171 | -178.7 | 0 | 0 | 0 | 0 | 107 | G57 T59 | G57-V67 PolarHBondContact O-N 2.81Å; T59-V67 HydrophobicContact CG2-CG2 3.55Å |
| 68 | C | 75.3 | Confident | 86.4 | Confident | 28 Ų | 28 | 73.2 Ų | 73.2 | 19% | 0.189 | 39% | 0.392 | C | S | . | . | trans | -104 | 110 | 167.8 | -73.1 | 0 | 0 | 0 | 0 | 107.2 | L70 C78 G80 | C68-L70 WeakPolarHBondContact CB-O 3.5Å; C68-L70 PolarHBondContact O-N 3.39Å; C68-C78 HydrophobicContact CB-CB 3.93Å; C68-C78 WeakPolarHBondContact CB-SG 3Å; C68-C78 WeakPolarHBondContact SG-CB 3.39Å; C68-C78 CovalentContact SG-SG 2.03Å; C68-C78 PolarHBondContact SG-SG 3.07Å; C68-G80 PolarHBondContact SG-O 2.97Å | ||
| 69 | E | 71.2 | Confident | 86.3 | Confident | 156 Ų | 156 | 74.6 Ų | 74.6 | 73% | 0.729 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -64.2 | -32 | 168.9 | -61.9 | -178 | 147.4 | 0 | 0 | 110 | T71 N82 | E69-T71 PolarHBondContact O-N 2.04Å; E69-N82 PolarHBondContact N-OD1 2.79Å |
| 70 | L | 72.5 | Confident | 85.9 | Confident | 65 Ų | 65 | 71.7 Ų | 71.7 | 34% | 0.34 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -83.4 | 107.9 | 172.3 | -68.7 | 155.1 | 0 | 0 | 0 | 110.3 | C68 C72 N82 R94 | C68-L70 WeakPolarHBondContact CB-O 3.5Å; C68-L70 PolarHBondContact O-N 3.39Å; L70-C72 PolarHBondContact O-N 3.13Å; L70-N82 HydrophobicContact CD1-CB 3.96Å; L70-N82 PolarHBondContact N-OD1 2.92Å; L70-R94 HydrophobicContact CB-CG 3.94Å; L70-R94 HydrophobicContact CD2-CG 3.94Å; L70-R94 HydrophobicContact CG-CG 4.48Å |
| 71 | T | 83 | Confident | 85.4 | Confident | 111 Ų | 111 | 72.3 Ų | 72.3 | 68% | 0.681 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 120.3 | 173.5 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | E69 M73 | E69-T71 PolarHBondContact O-N 2.04Å; T71-M73 PolarHBondContact O-N 3.08Å |
| 72 | C | 88.7 | Confident | 84.9 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 121.1 | 173.3 | -52.3 | 0 | 0 | 0 | 0 | 109.9 | L70 G76 C84 | L70-C72 PolarHBondContact O-N 3.13Å; C72-G76 WeakPolarHBondContact CB-O 3.35Å; C72-C84 WeakPolarHBondContact CA-SG 3.46Å; C72-C84 HydrophobicContact CB-CB 3.78Å; C72-C84 WeakPolarHBondContact CB-SG 3.17Å; C72-C84 VanDerWaalsContact SG-CA 3.58Å; C72-C84 WeakPolarHBondContact SG-CB 3.43Å; C72-C84 CovalentContact SG-SG 2.03Å; C72-C84 PolarHBondContact SG-SG 3.46Å |
| 73 | M | 90.1 | Very high | 84.5 | Confident | 83 Ų | 83 | 66.7 Ų | 66.7 | 41% | 0.409 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -89.2 | 171 | -178.4 | -58.1 | -172.4 | 112 | 0 | 0 | 111.8 | T71 G75 G76 R94 C95 N96 | T71-M73 PolarHBondContact O-N 3.08Å; M73-G75 VanDerWaalsContact C-N 3.26Å; M73-G75 PolarHBondContact O-N 3Å; M73-G75 VanDerWaalsContact O-N 3.13Å; M73-G76 PolarHBondContact O-N 2.94Å; M73-R94 WeakPolarHBondContact CB-O 3.21Å; M73-R94 PolarHBondContact N-O 3.49Å; M73-R94 PolarHBondContact SD-NH2 3.12Å; M73-C95 WeakPolarHBondContact O-CB 3.39Å; M73-N96 HydrophobicContact SD-CB 4.1Å |
| 74 | N | 90.1 | Very high | 84.5 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 40% | 0.401 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 39 | 169 | -56.8 | -49.3 | 0 | 0 | 0 | 114.6 | G76 W90 C95 | N74-G76 VanDerWaalsContact C-N 3.31Å; N74-G76 PolarHBondContact O-N 2.74Å; N74-W90 HydrophobicContact CB-CD2 3.59Å; N74-W90 VanDerWaalsContact CB-CE2 3.47Å; N74-W90 HydrophobicContact CB-CE3 4.18Å; N74-W90 HydrophobicContact CB-CG 3.82Å; N74-W90 HydrophobicContact CB-CZ2 3.97Å; N74-W90 WeakPolarHBondContact ND2-CZ3 3.04Å; N74-C95 PolarHBondContact ND2-O 2.8Å |
| 75 | G | 87.1 | Confident | 84.6 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 60% | 0.598 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | 10.2 | -180 | 0 | 0 | 0 | 0 | 0 | 115 | M73 S87 | M73-G75 VanDerWaalsContact C-N 3.26Å; M73-G75 PolarHBondContact O-N 3Å; M73-G75 VanDerWaalsContact O-N 3.13Å; G75-S87 PolarHBondContact O-OG 3.11Å; G75-S87 VanDerWaalsContact O-OG 3.07Å |
| 76 | G | 90.9 | Very high | 84.8 | Confident | 14 Ų | 14 | 62.2 Ų | 62.2 | 14% | 0.144 | 37% | 0.37 | C | S | . | . | trans | -62.4 | 147.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | C72 M73 N74 S85 | C72-G76 WeakPolarHBondContact CB-O 3.35Å; M73-G76 PolarHBondContact O-N 2.94Å; N74-G76 VanDerWaalsContact C-N 3.31Å; N74-G76 PolarHBondContact O-N 2.74Å; G76-S85 CarbonylContact C-O 3.53Å; G76-S85 VanDerWaalsContact CA-O 3.28Å; G76-S85 WeakPolarHBondContact CA-O 3.23Å | ||
| 77 | K | 89.9 | Confident | 85.1 | Confident | 154 Ų | 154 | 63 Ų | 63 | 67% | 0.67 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.5 | 179.7 | -65.6 | -176.9 | -177.8 | 177.4 | 0 | 110.9 | V79 C84 S85 | K77-V79 PolarHBondContact O-N 3.37Å; K77-C84 CarbonylContact O-C 3.32Å; K77-C84 WeakPolarHBondContact O-CA 3.01Å; K77-S85 PolarHBondContact N-O 3.32Å; K77-S85 PolarHBondContact O-N 2.03Å |
| 78 | C | 87.8 | Confident | 85.4 | Confident | 50 Ų | 50 | 64.6 Ų | 64.6 | 34% | 0.338 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 114 | 170.5 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | C68 | C68-C78 HydrophobicContact CB-CB 3.93Å; C68-C78 WeakPolarHBondContact CB-SG 3Å; C68-C78 WeakPolarHBondContact SG-CB 3.39Å; C68-C78 CovalentContact SG-SG 2.03Å; C68-C78 PolarHBondContact SG-SG 3.07Å |
| 79 | V | 86.8 | Confident | 86.1 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 53% | 0.533 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -15.1 | -178.8 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | K77 T83 | K77-V79 PolarHBondContact O-N 3.37Å; V79-T83 HydrophobicContact CG2-CG2 3.95Å; V79-T83 WeakPolarHBondContact CG2-O 3.34Å; V79-T83 PolarHBondContact N-O 2.9Å |
| 80 | G | 81.8 | Confident | 87.1 | Confident | 8 Ų | 8 | 59.1 Ų | 59.1 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 174 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | C68 N82 T83 | C68-G80 PolarHBondContact SG-O 2.97Å; G80-N82 PolarHBondContact O-N 2.85Å; G80-N82 VanDerWaalsContact O-N 3.09Å; G80-T83 PolarHBondContact N-O 2.9Å; G80-T83 PolarHBondContact O-N 3.45Å |
| 81 | P | 80.6 | Confident | 87.9 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 118.5 | 173.3 | -27.5 | 34 | 0 | 0 | 0 | 110.4 | Y58 T83 | Y58-P81 HydrophobicContact CD2-CG 3.84Å; Y58-P81 HydrophobicContact CE1-CG 4.27Å; Y58-P81 HydrophobicContact CE2-CG 3.27Å; Y58-P81 WeakPolarHBondContact OH-CD 3.03Å; P81-T83 PolarHBondContact O-N 3.13Å; P81-T83 PolarHBondContact O-OG1 2.99Å |
| 82 | N | 78.5 | Confident | 88.2 | Confident | 64 Ų | 64 | 54.2 Ų | 54.2 | 34% | 0.342 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 25 | -179.9 | -70.2 | -31.4 | 0 | 0 | 0 | 114.8 | E69 L70 G80 | E69-N82 PolarHBondContact N-OD1 2.79Å; L70-N82 HydrophobicContact CD1-CB 3.96Å; L70-N82 PolarHBondContact N-OD1 2.92Å; G80-N82 PolarHBondContact O-N 2.85Å; G80-N82 VanDerWaalsContact O-N 3.09Å |
| 83 | T | 85 | Confident | 88.2 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 45% | 0.454 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.8 | -175.5 | -57 | 0 | 0 | 0 | 0 | 109.6 | V79 G80 P81 | V79-T83 HydrophobicContact CG2-CG2 3.95Å; V79-T83 WeakPolarHBondContact CG2-O 3.34Å; V79-T83 PolarHBondContact N-O 2.9Å; G80-T83 PolarHBondContact N-O 2.9Å; G80-T83 PolarHBondContact O-N 3.45Å; P81-T83 PolarHBondContact O-N 3.13Å; P81-T83 PolarHBondContact O-OG1 2.99Å |
| 84 | C | 90.5 | Very high | 88.1 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 13% | 0.128 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 128.7 | 178.2 | -64.2 | 0 | 0 | 0 | 0 | 111.2 | C72 K77 K93 C95 | C72-C84 WeakPolarHBondContact CA-SG 3.46Å; C72-C84 HydrophobicContact CB-CB 3.78Å; C72-C84 WeakPolarHBondContact CB-SG 3.17Å; C72-C84 VanDerWaalsContact SG-CA 3.58Å; C72-C84 WeakPolarHBondContact SG-CB 3.43Å; C72-C84 CovalentContact SG-SG 2.03Å; C72-C84 PolarHBondContact SG-SG 3.46Å; K77-C84 CarbonylContact O-C 3.32Å; K77-C84 WeakPolarHBondContact O-CA 3.01Å; C84-K93 WeakPolarHBondContact CB-O 3.39Å; C84-K93 PolarHBondContact SG-O 3.41Å; C84-C95 VanDerWaalsContact CB-SG 3.6Å |
| 85 | S | 92.3 | Very high | 88.2 | Confident | 63 Ų | 63 | 58.6 Ų | 58.6 | 44% | 0.441 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 112.2 | 161.9 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | G76 K77 | G76-S85 CarbonylContact C-O 3.53Å; G76-S85 VanDerWaalsContact CA-O 3.28Å; G76-S85 WeakPolarHBondContact CA-O 3.23Å; K77-S85 PolarHBondContact N-O 3.32Å; K77-S85 PolarHBondContact O-N 2.03Å |
| 86 | C | 92 | Very high | 88.4 | Confident | 39 Ų | 39 | 59.4 Ų | 59.4 | 26% | 0.264 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 146.9 | -176.1 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | W90 C95 | C86-W90 HydrophobicContact CB-CB 4.3Å; C86-W90 WeakPolarHBondContact CB-O 3.49Å; C86-C95 WeakPolarHBondContact CA-SG 3.44Å; C86-C95 HydrophobicContact CB-CB 3.68Å; C86-C95 WeakPolarHBondContact CB-SG 3.48Å; C86-C95 WeakPolarHBondContact SG-CA 3.28Å; C86-C95 WeakPolarHBondContact SG-CB 3.48Å; C86-C95 CovalentContact SG-SG 2.04Å; C86-C95 PolarHBondContact SG-SG 2.86Å |
| 87 | S | 90.5 | Very high | 88.3 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 159.2 | 168.9 | -67 | 0 | 0 | 0 | 0 | 111.2 | G75 G89 W90 | G75-S87 PolarHBondContact O-OG 3.11Å; G75-S87 VanDerWaalsContact O-OG 3.07Å; S87-G89 PolarHBondContact O-N 3.25Å; S87-W90 PolarHBondContact O-N 2.85Å; S87-W90 VanDerWaalsContact O-N 3.13Å |
| 88 | S | 89.4 | Confident | 88.3 | Confident | 92 Ų | 92 | 58.4 Ų | 58.4 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 134.2 | 176.9 | -172.4 | 0 | 0 | 0 | 0 | 111.4 | ||
| 89 | G | 89.2 | Confident | 88.3 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 11.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S87 V99 A113 | S87-G89 PolarHBondContact O-N 3.25Å; G89-V99 VanDerWaalsContact CA-O 3.28Å; G89-V99 WeakPolarHBondContact CA-O 3.36Å; G89-V99 PolarHBondContact O-N 2.94Å; G89-A113 WeakPolarHBondContact O-CA 3.22Å |
| 90 | W | 91.8 | Very high | 88.4 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 24% | 0.242 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 151.6 | 175 | -62.5 | 96.5 | 0 | 0 | 0 | 112.2 | N74 C86 S87 C95 M97 P98 A113 | N74-W90 HydrophobicContact CB-CD2 3.59Å; N74-W90 VanDerWaalsContact CB-CE2 3.47Å; N74-W90 HydrophobicContact CB-CE3 4.18Å; N74-W90 HydrophobicContact CB-CG 3.82Å; N74-W90 HydrophobicContact CB-CZ2 3.97Å; N74-W90 WeakPolarHBondContact ND2-CZ3 3.04Å; C86-W90 HydrophobicContact CB-CB 4.3Å; C86-W90 WeakPolarHBondContact CB-O 3.49Å; S87-W90 PolarHBondContact O-N 2.85Å; S87-W90 VanDerWaalsContact O-N 3.13Å; W90-C95 HydrophobicContact CB-CB 4.29Å; W90-M97 CarbonylContact C-O 3.57Å; W90-M97 WeakPolarHBondContact CA-O 3.41Å; W90-P98 HydrophobicContact CE3-CB 4.3Å; W90-P98 HydrophobicContact CZ3-CB 4Å; W90-A113 HydrophobicContact CZ2-CB 4.26Å |
| 91 | S | 90.4 | Very high | 88.5 | Confident | 43 Ų | 43 | 60.3 Ų | 60.3 | 30% | 0.301 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | -175.3 | 179 | 69.1 | 0 | 0 | 0 | 0 | 111.9 | C95 N96 M97 V99 | S91-C95 CarbonylContact O-C 3.46Å; S91-C95 VanDerWaalsContact O-C 3.3Å; S91-C95 WeakPolarHBondContact O-CA 3.42Å; S91-N96 PolarHBondContact O-N 3.09Å; S91-N96 VanDerWaalsContact O-N 3.12Å; S91-M97 PolarHBondContact N-O 2.03Å; S91-M97 WeakPolarHBondContact O-CB 3.1Å; S91-M97 PolarHBondContact O-N 3.17Å; S91-M97 WeakPolarHBondContact OG-CB 3.02Å; S91-M97 PolarHBondContact OG-O 3.21Å; S91-V99 VanDerWaalsContact CB-CG2 3.42Å; S91-V99 WeakPolarHBondContact OG-CG2 3.38Å |
| 92 | G | 88.9 | Confident | 88.8 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 86.5 | 164.6 | -174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R94 C95 | G92-R94 PolarHBondContact O-N 3.38Å; G92-R94 VanDerWaalsContact O-N 3.08Å; G92-C95 PolarHBondContact O-N 3.02Å |
| 93 | K | 87.6 | Confident | 89.3 | Confident | 178 Ų | 178 | 69.8 Ų | 69.8 | 77% | 0.774 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -29.5 | -174.4 | -67.1 | -174.6 | 177.6 | -177.8 | 0 | 113.6 | C84 | C84-K93 WeakPolarHBondContact CB-O 3.39Å; C84-K93 PolarHBondContact SG-O 3.41Å |
| 94 | R | 89.3 | Confident | 89.7 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 36% | 0.358 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 10.6 | 178.5 | -78.5 | 178.8 | 33.6 | -155.4 | -10.2 | 113.9 | L70 M73 G92 N96 | L70-R94 HydrophobicContact CB-CG 3.94Å; L70-R94 HydrophobicContact CD2-CG 3.94Å; L70-R94 HydrophobicContact CG-CG 4.48Å; M73-R94 WeakPolarHBondContact CB-O 3.21Å; M73-R94 PolarHBondContact N-O 3.49Å; M73-R94 PolarHBondContact SD-NH2 3.12Å; G92-R94 PolarHBondContact O-N 3.38Å; G92-R94 VanDerWaalsContact O-N 3.08Å; R94-N96 PolarHBondContact O-N 3.47Å |
| 95 | C | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 38% | 0.383 | C | S | . | . | S | Bend | trans | 58.6 | 33.8 | -174.7 | -48.1 | 0 | 0 | 0 | 0 | 113.3 | M73 N74 C84 C86 W90 S91 G92 | M73-C95 WeakPolarHBondContact O-CB 3.39Å; N74-C95 PolarHBondContact ND2-O 2.8Å; C84-C95 VanDerWaalsContact CB-SG 3.6Å; C86-C95 WeakPolarHBondContact CA-SG 3.44Å; C86-C95 HydrophobicContact CB-CB 3.68Å; C86-C95 WeakPolarHBondContact CB-SG 3.48Å; C86-C95 WeakPolarHBondContact SG-CA 3.28Å; C86-C95 WeakPolarHBondContact SG-CB 3.48Å; C86-C95 CovalentContact SG-SG 2.04Å; C86-C95 PolarHBondContact SG-SG 2.86Å; W90-C95 HydrophobicContact CB-CB 4.29Å; S91-C95 CarbonylContact O-C 3.46Å; S91-C95 VanDerWaalsContact O-C 3.3Å; S91-C95 WeakPolarHBondContact O-CA 3.42Å; G92-C95 PolarHBondContact O-N 3.02Å |
| 96 | N | 90.8 | Very high | 90 | Very high | 74 Ų | 74 | 73.1 Ų | 73.1 | 40% | 0.396 | 38% | 0.382 | S | S | . | . | trans | -99.1 | -10.7 | -176.6 | 66.8 | -58.6 | 0 | 0 | 0 | 113.3 | M73 S91 R94 | M73-N96 HydrophobicContact SD-CB 4.1Å; S91-N96 PolarHBondContact O-N 3.09Å; S91-N96 VanDerWaalsContact O-N 3.12Å; R94-N96 PolarHBondContact O-N 3.47Å | ||
| 97 | M | 89.3 | Confident | 90 | Very high | 105 Ų | 105 | 74.7 Ų | 74.7 | 52% | 0.517 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 118.9 | 179 | -64.4 | 176.9 | 173.8 | 0 | 0 | 109.1 | W90 S91 | W90-M97 CarbonylContact C-O 3.57Å; W90-M97 WeakPolarHBondContact CA-O 3.41Å; S91-M97 PolarHBondContact N-O 2.03Å; S91-M97 WeakPolarHBondContact O-CB 3.1Å; S91-M97 PolarHBondContact O-N 3.17Å; S91-M97 WeakPolarHBondContact OG-CB 3.02Å; S91-M97 PolarHBondContact OG-O 3.21Å |
| 98 | P | 88.7 | Confident | 90.2 | Very high | 42 Ų | 42 | 73.1 Ų | 73.1 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 146.6 | 176.2 | 28.9 | -34.4 | 0 | 0 | 0 | 110.4 | W90 C110 | W90-P98 HydrophobicContact CE3-CB 4.3Å; W90-P98 HydrophobicContact CZ3-CB 4Å; P98-C110 WeakPolarHBondContact CG-O 3.03Å |
| 99 | V | 89.4 | Confident | 90.3 | Very high | 52 Ų | 52 | 74.9 Ų | 74.9 | 32% | 0.315 | 40% | 0.395 | S | S | . | . | trans | -126.9 | 131.3 | 174.4 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | G89 S91 C110 N114 | G89-V99 VanDerWaalsContact CA-O 3.28Å; G89-V99 WeakPolarHBondContact CA-O 3.36Å; G89-V99 PolarHBondContact O-N 2.94Å; S91-V99 VanDerWaalsContact CB-CG2 3.42Å; S91-V99 WeakPolarHBondContact OG-CG2 3.38Å; V99-C110 VanDerWaalsContact C-SG 3.51Å; V99-N114 PolarHBondContact O-N 3.16Å | ||
| 100 | C | 88.1 | Confident | 90.5 | Very high | 20 Ų | 20 | 76.3 Ų | 76.3 | 14% | 0.135 | 40% | 0.403 | C | S | . | . | trans | -102.6 | 112.1 | 172.6 | -68.8 | 0 | 0 | 0 | 0 | 107.6 | Q102 C110 | C100-Q102 VanDerWaalsContact CB-O 3.28Å; C100-Q102 WeakPolarHBondContact CB-O 3.3Å; C100-Q102 PolarHBondContact O-N 2.81Å; C100-C110 HydrophobicContact CB-CB 3.94Å; C100-C110 WeakPolarHBondContact CB-SG 3.48Å; C100-C110 PolarHBondContact N-SG 2.74Å; C100-C110 WeakPolarHBondContact SG-CB 3.27Å; C100-C110 CovalentContact SG-SG 2.04Å; C100-C110 PolarHBondContact SG-SG 2.96Å | ||
| 101 | L | 83.8 | Confident | 90.5 | Very high | 115 Ų | 115 | 77 Ų | 77 | 60% | 0.602 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -54.8 | -37.8 | 177.9 | -70.6 | 170.6 | 0 | 0 | 0 | 111.2 | N114 | L101-N114 WeakPolarHBondContact CB-OD1 3.21Å; L101-N114 VanDerWaalsContact CG-OD1 3.26Å; L101-N114 WeakPolarHBondContact CG-OD1 3Å; L101-N114 PolarHBondContact N-OD1 3Å |
| 102 | Q | 87.2 | Confident | 90.3 | Very high | 121 Ų | 121 | 75.5 Ų | 75.5 | 57% | 0.565 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -104.9 | 128.7 | 168.5 | -64.3 | -59 | -48.8 | 0 | 0 | 108.7 | C100 C104 H126 | C100-Q102 VanDerWaalsContact CB-O 3.28Å; C100-Q102 WeakPolarHBondContact CB-O 3.3Å; C100-Q102 PolarHBondContact O-N 2.81Å; Q102-C104 PolarHBondContact O-N 3.1Å; Q102-H126 VanDerWaalsContact CB-CE1 3.48Å; Q102-H126 WeakPolarHBondContact CB-CE1 3.46Å |
| 103 | K | 89.3 | Confident | 90.1 | Very high | 183 Ų | 183 | 75.8 Ų | 75.8 | 80% | 0.796 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 133.4 | 179.8 | -67.9 | -172.8 | 178.6 | -176.1 | 0 | 110.3 | K105 | K103-K105 PolarHBondContact O-N 3.46Š|
| 104 | C | 93.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 69.8 Ų | 69.8 | 17% | 0.169 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 127.9 | 168 | -51.4 | 0 | 0 | 0 | 0 | 109 | Q102 G108 C116 | Q102-C104 PolarHBondContact O-N 3.1Å; C104-G108 VanDerWaalsContact CB-C 3.48Å; C104-G108 VanDerWaalsContact CB-O 3.23Å; C104-G108 WeakPolarHBondContact CB-O 3.43Å; C104-C116 WeakPolarHBondContact CA-SG 3.42Å; C104-C116 HydrophobicContact CB-CB 3.77Å; C104-C116 WeakPolarHBondContact CB-SG 3.32Å; C104-C116 VanDerWaalsContact SG-CA 3.57Å; C104-C116 WeakPolarHBondContact SG-CB 2.99Å; C104-C116 CovalentContact SG-SG 2.03Å; C104-C116 PolarHBondContact SG-SG 2.04Å |
| 105 | K | 94.1 | Very high | 90 | Very high | 124 Ų | 124 | 68.9 Ų | 68.9 | 54% | 0.539 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 169.6 | -178.4 | -63.3 | -170.6 | 176.7 | -174.3 | 0 | 110.9 | K103 G107 G108 H126 C127 Q128 | K103-K105 PolarHBondContact O-N 3.46Å; K105-G107 PolarHBondContact O-N 3.45Å; K105-G107 VanDerWaalsContact O-N 3.07Å; K105-G108 PolarHBondContact O-N 3.23Å; K105-H126 WeakPolarHBondContact CB-O 3.37Å; K105-H126 PolarHBondContact N-O 3.48Å; K105-C127 WeakPolarHBondContact O-CB 3.34Å; K105-Q128 HydrophobicContact CD-CB 4.3Å |
| 106 | N | 93.9 | Very high | 90.1 | Very high | 77 Ų | 77 | 69.7 Ų | 69.7 | 41% | 0.412 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 33.3 | 169.5 | -54.3 | -52.5 | 0 | 0 | 0 | 114.7 | P119 W122 C127 | N106-P119 VanDerWaalsContact O-CG 3.24Å; N106-P119 WeakPolarHBondContact O-CG 3.01Å; N106-W122 HydrophobicContact CB-CD2 3.61Å; N106-W122 VanDerWaalsContact CB-CE2 3.46Å; N106-W122 HydrophobicContact CB-CE3 4.06Å; N106-W122 HydrophobicContact CB-CG 4.02Å; N106-W122 HydrophobicContact CB-CH2 4.24Å; N106-W122 HydrophobicContact CB-CZ2 3.8Å; N106-W122 HydrophobicContact CB-CZ3 4.37Å; N106-W122 VanDerWaalsContact CG-CH2 3.46Å; N106-W122 VanDerWaalsContact CG-CZ2 3.49Å; N106-W122 WeakPolarHBondContact ND2-CH2 3.23Å; N106-W122 WeakPolarHBondContact ND2-CZ3 3.04Å; N106-C127 PolarHBondContact ND2-O 2.74Å |
| 107 | G | 92.2 | Very high | 90.3 | Very high | 73 Ų | 73 | 71.8 Ų | 71.8 | 75% | 0.753 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 12.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115 | K105 | K105-G107 PolarHBondContact O-N 3.45Å; K105-G107 VanDerWaalsContact O-N 3.07Å |
| 108 | G | 94.3 | Very high | 90.6 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 17% | 0.165 | 38% | 0.384 | C | S | . | . | trans | -65.3 | 147.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C104 K105 H117 | C104-G108 VanDerWaalsContact CB-C 3.48Å; C104-G108 VanDerWaalsContact CB-O 3.23Å; C104-G108 WeakPolarHBondContact CB-O 3.43Å; K105-G108 PolarHBondContact O-N 3.23Å; G108-H117 CarbonylContact C-O 3.59Å; G108-H117 VanDerWaalsContact CA-O 3.24Å; G108-H117 WeakPolarHBondContact CA-O 3.21Å | ||
| 109 | E | 93.3 | Very high | 90.9 | Very high | 130 Ų | 130 | 68.3 Ų | 68.3 | 61% | 0.607 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 139 | -179.6 | -171.8 | 175.6 | -178.5 | 0 | 0 | 110.9 | V111 C116 H117 | E109-V111 HydrophobicContact CB-CG1 4.43Å; E109-V111 HydrophobicContact CG-CG1 4.31Å; E109-V111 PolarHBondContact O-N 2.9Å; E109-C116 CarbonylContact O-C 3.59Å; E109-C116 WeakPolarHBondContact O-CA 3.19Å; E109-H117 PolarHBondContact N-O 2.78Å; E109-H117 PolarHBondContact O-N 3.29Å |
| 110 | C | 93 | Very high | 91.1 | Very high | 36 Ų | 36 | 70.4 Ų | 70.4 | 24% | 0.243 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 107.6 | 175.7 | -168.8 | 0 | 0 | 0 | 0 | 109.8 | P98 V99 C100 G112 | P98-C110 WeakPolarHBondContact CG-O 3.03Å; V99-C110 VanDerWaalsContact C-SG 3.51Å; C100-C110 HydrophobicContact CB-CB 3.94Å; C100-C110 WeakPolarHBondContact CB-SG 3.48Å; C100-C110 PolarHBondContact N-SG 2.74Å; C100-C110 WeakPolarHBondContact SG-CB 3.27Å; C100-C110 CovalentContact SG-SG 2.04Å; C100-C110 PolarHBondContact SG-SG 2.96Å; C110-G112 PolarHBondContact SG-O 2.03Å |
| 111 | V | 90.9 | Very high | 91.4 | Very high | 78 Ų | 78 | 70.4 Ų | 70.4 | 47% | 0.473 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -10.1 | -174.4 | -63.4 | 0 | 0 | 0 | 0 | 113.4 | E109 T115 H117 | E109-V111 HydrophobicContact CB-CG1 4.43Å; E109-V111 HydrophobicContact CG-CG1 4.31Å; E109-V111 PolarHBondContact O-N 2.9Å; V111-T115 HydrophobicContact CG2-CG2 4.18Å; V111-T115 PolarHBondContact N-O 2.77Å; V111-H117 HydrophobicContact CB-CB 4.4Å; V111-H117 HydrophobicContact CG1-CB 3.56Å; V111-H117 HydrophobicContact CG2-CB 3.91Å |
| 112 | G | 86.8 | Confident | 91.9 | Very high | 12 Ų | 12 | 67.3 Ų | 67.3 | 12% | 0.124 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | C110 N114 T115 | C110-G112 PolarHBondContact SG-O 2.03Å; G112-N114 PolarHBondContact O-N 3.15Å; G112-T115 PolarHBondContact N-O 3.33Å; G112-T115 PolarHBondContact O-N 3.25Å |
| 113 | A | 84.4 | Confident | 92.2 | Very high | 36 Ų | 36 | 66 Ų | 66 | 30% | 0.298 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 105.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G89 W90 T115 | G89-A113 WeakPolarHBondContact O-CA 3.22Å; W90-A113 HydrophobicContact CZ2-CB 4.26Å; A113-T115 PolarHBondContact O-N 3.07Å; A113-T115 PolarHBondContact O-OG1 2.95Å |
| 114 | N | 84.4 | Confident | 92.4 | Very high | 51 Ų | 51 | 59.1 Ų | 59.1 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 24.2 | -172.4 | -58.7 | -43.7 | 0 | 0 | 0 | 115.1 | V99 L101 G112 | V99-N114 PolarHBondContact O-N 3.16Å; L101-N114 WeakPolarHBondContact CB-OD1 3.21Å; L101-N114 VanDerWaalsContact CG-OD1 3.26Å; L101-N114 WeakPolarHBondContact CG-OD1 3Å; L101-N114 PolarHBondContact N-OD1 3Å; G112-N114 PolarHBondContact O-N 3.15Å |
| 115 | T | 90.1 | Very high | 92.3 | Very high | 76 Ų | 76 | 63.3 Ų | 63.3 | 47% | 0.466 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 117.3 | 179.8 | -56 | 0 | 0 | 0 | 0 | 110.2 | V111 G112 A113 | V111-T115 HydrophobicContact CG2-CG2 4.18Å; V111-T115 PolarHBondContact N-O 2.77Å; G112-T115 PolarHBondContact N-O 3.33Å; G112-T115 PolarHBondContact O-N 3.25Å; A113-T115 PolarHBondContact O-N 3.07Å; A113-T115 PolarHBondContact O-OG1 2.95Å |
| 116 | C | 94.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 59.6 Ų | 59.6 | 12% | 0.122 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 132.7 | 175.5 | -63.9 | 0 | 0 | 0 | 0 | 111.2 | C104 E109 | C104-C116 WeakPolarHBondContact CA-SG 3.42Å; C104-C116 HydrophobicContact CB-CB 3.77Å; C104-C116 WeakPolarHBondContact CB-SG 3.32Å; C104-C116 VanDerWaalsContact SG-CA 3.57Å; C104-C116 WeakPolarHBondContact SG-CB 2.99Å; C104-C116 CovalentContact SG-SG 2.03Å; C104-C116 PolarHBondContact SG-SG 2.04Å; E109-C116 CarbonylContact O-C 3.59Å; E109-C116 WeakPolarHBondContact O-CA 3.19Å |
| 117 | H | 95.6 | Very high | 92.3 | Very high | 118 Ų | 118 | 55.9 Ų | 55.9 | 55% | 0.546 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 118.4 | 161.4 | -178.2 | 68.8 | 0 | 0 | 0 | 108.6 | G108 E109 V111 | G108-H117 CarbonylContact C-O 3.59Å; G108-H117 VanDerWaalsContact CA-O 3.24Å; G108-H117 WeakPolarHBondContact CA-O 3.21Å; E109-H117 PolarHBondContact N-O 2.78Å; E109-H117 PolarHBondContact O-N 3.29Å; V111-H117 HydrophobicContact CB-CB 4.4Å; V111-H117 HydrophobicContact CG1-CB 3.56Å; V111-H117 HydrophobicContact CG2-CB 3.91Å |
| 118 | C | 95.7 | Very high | 92.4 | Very high | 29 Ų | 29 | 56.3 Ų | 56.3 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 138.3 | -175.8 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | W122 C127 | C118-W122 HydrophobicContact CB-CB 4.28Å; C118-W122 VanDerWaalsContact CB-O 3.3Å; C118-W122 WeakPolarHBondContact CB-O 3.3Å; C118-C127 WeakPolarHBondContact CA-SG 3.24Å; C118-C127 HydrophobicContact CB-CB 3.71Å; C118-C127 WeakPolarHBondContact CB-SG 3.43Å; C118-C127 WeakPolarHBondContact SG-CA 3.43Å; C118-C127 WeakPolarHBondContact SG-CB 3.42Å; C118-C127 CovalentContact SG-SG 2.04Å; C118-C127 PolarHBondContact SG-SG 2.97Å |
| 119 | P | 95.1 | Very high | 92.4 | Very high | 44 Ų | 44 | 58.2 Ų | 58.2 | 29% | 0.286 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 162.4 | 173.1 | 26.4 | -29.7 | 0 | 0 | 0 | 110.7 | N106 G121 W122 | N106-P119 VanDerWaalsContact O-CG 3.24Å; N106-P119 WeakPolarHBondContact O-CG 3.01Å; P119-G121 PolarHBondContact O-N 3.49Å; P119-W122 HydrophobicContact CG-CG 4.48Å; P119-W122 PolarHBondContact O-N 2.97Å |
| 120 | A | 93.8 | Very high | 92.5 | Very high | 97 Ų | 97 | 53.1 Ų | 53.1 | 80% | 0.802 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 131 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 121 | G | 93.7 | Very high | 92.5 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84 | 9.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | P119 P130 S131 P145 | P119-G121 PolarHBondContact O-N 3.49Å; G121-P130 CarbonylContact O-C 3.6Å; G121-P130 WeakPolarHBondContact O-CA 3.43Å; G121-S131 WeakPolarHBondContact CA-O 3.08Å; G121-S131 PolarHBondContact O-N 2.73Å; G121-P145 WeakPolarHBondContact O-CG 2.99Å |
| 122 | W | 95.5 | Very high | 92.6 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 19% | 0.186 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 146.2 | 170.3 | -65.5 | 93.4 | 0 | 0 | 0 | 111.4 | N106 C118 P119 C127 T129 P130 L144 P145 | N106-W122 HydrophobicContact CB-CD2 3.61Å; N106-W122 VanDerWaalsContact CB-CE2 3.46Å; N106-W122 HydrophobicContact CB-CE3 4.06Å; N106-W122 HydrophobicContact CB-CG 4.02Å; N106-W122 HydrophobicContact CB-CH2 4.24Å; N106-W122 HydrophobicContact CB-CZ2 3.8Å; N106-W122 HydrophobicContact CB-CZ3 4.37Å; N106-W122 VanDerWaalsContact CG-CH2 3.46Å; N106-W122 VanDerWaalsContact CG-CZ2 3.49Å; N106-W122 WeakPolarHBondContact ND2-CH2 3.23Å; N106-W122 WeakPolarHBondContact ND2-CZ3 3.04Å; C118-W122 HydrophobicContact CB-CB 4.28Å; C118-W122 VanDerWaalsContact CB-O 3.3Å; C118-W122 WeakPolarHBondContact CB-O 3.3Å; P119-W122 HydrophobicContact CG-CG 4.48Å; P119-W122 PolarHBondContact O-N 2.97Å; W122-C127 HydrophobicContact CB-CB 4.25Å; W122-T129 CarbonylContact C-O 3.55Å; W122-T129 WeakPolarHBondContact CA-O 3.45Å; W122-P130 HydrophobicContact CE3-CB 4.21Å; W122-P130 HydrophobicContact CH2-CB 4.33Å; W122-P130 HydrophobicContact CZ3-CB 3.93Å; W122-P130 HydrophobicContact CZ3-CG 4.39Å; W122-L144 HydrophobicContact CH2-CD2 4.48Å; W122-L144 HydrophobicContact CZ2-CD2 4.49Å; W122-P145 HydrophobicContact CD2-CG 4.45Å; W122-P145 HydrophobicContact CZ2-CG 4.08Å |
| 123 | E | 93.6 | Very high | 92.8 | Very high | 93 Ų | 93 | 60 Ų | 60 | 44% | 0.435 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 177 | -178.5 | 68.7 | -169.7 | -169.7 | 0 | 0 | 111.4 | C127 Q128 T129 S131 | E123-C127 CarbonylContact O-C 3.49Å; E123-C127 WeakPolarHBondContact O-CA 3.44Å; E123-Q128 PolarHBondContact O-N 2.94Å; E123-T129 HydrophobicContact CG-CG2 3.88Å; E123-T129 PolarHBondContact N-O 3.12Å; E123-T129 WeakPolarHBondContact O-CB 3.42Å; E123-T129 PolarHBondContact O-N 3.2Å; E123-S131 VanDerWaalsContact OE2-CB 3.3Å; E123-S131 WeakPolarHBondContact OE2-CB 3.07Å; E123-S131 PolarHBondContact OE2-OG 3.07Å |
| 124 | G | 92.1 | Very high | 93.1 | Very high | 39 Ų | 39 | 66.2 Ų | 66.2 | 40% | 0.402 | 35% | 0.354 | S | S | . | . | S | Bend | trans | 90.6 | 167.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H126 C127 | G124-H126 PolarHBondContact O-N 2.81Å; G124-H126 VanDerWaalsContact O-N 3.1Å; G124-C127 PolarHBondContact O-N 2.81Å; G124-C127 VanDerWaalsContact O-N 3.11Å |
| 125 | L | 91.3 | Very high | 93.5 | Very high | 114 Ų | 114 | 68.2 Ų | 68.2 | 60% | 0.597 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.3 | -171.7 | -173.2 | 64.6 | 0 | 0 | 0 | 114.1 | ||
| 126 | H | 93.6 | Very high | 93.7 | Very high | 45 Ų | 45 | 65.8 Ų | 65.8 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 21.4 | -178.8 | -51.2 | -50 | 0 | 0 | 0 | 111.9 | Q102 K105 G124 Q128 | Q102-H126 VanDerWaalsContact CB-CE1 3.48Å; Q102-H126 WeakPolarHBondContact CB-CE1 3.46Å; K105-H126 WeakPolarHBondContact CB-O 3.37Å; K105-H126 PolarHBondContact N-O 3.48Å; G124-H126 PolarHBondContact O-N 2.81Å; G124-H126 VanDerWaalsContact O-N 3.1Å; H126-Q128 VanDerWaalsContact C-OE1 3.29Å; H126-Q128 PolarHBondContact O-N 3.48Å |
| 127 | C | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 55.9 | 34.4 | -177.2 | -45.4 | 0 | 0 | 0 | 0 | 113 | K105 N106 C118 W122 E123 G124 | K105-C127 WeakPolarHBondContact O-CB 3.34Å; N106-C127 PolarHBondContact ND2-O 2.74Å; C118-C127 WeakPolarHBondContact CA-SG 3.24Å; C118-C127 HydrophobicContact CB-CB 3.71Å; C118-C127 WeakPolarHBondContact CB-SG 3.43Å; C118-C127 WeakPolarHBondContact SG-CA 3.43Å; C118-C127 WeakPolarHBondContact SG-CB 3.42Å; C118-C127 CovalentContact SG-SG 2.04Å; C118-C127 PolarHBondContact SG-SG 2.97Å; W122-C127 HydrophobicContact CB-CB 4.25Å; E123-C127 CarbonylContact O-C 3.49Å; E123-C127 WeakPolarHBondContact O-CA 3.44Å; G124-C127 PolarHBondContact O-N 2.81Å; G124-C127 VanDerWaalsContact O-N 3.11Å |
| 128 | Q | 94.3 | Very high | 93.7 | Very high | 82 Ų | 82 | 66.8 Ų | 66.8 | 38% | 0.383 | 36% | 0.363 | S | S | . | . | trans | -88.8 | -20 | -174.2 | 73.7 | -82.4 | 15.5 | 0 | 0 | 113.5 | K105 E123 H126 | K105-Q128 HydrophobicContact CD-CB 4.3Å; E123-Q128 PolarHBondContact O-N 2.94Å; H126-Q128 VanDerWaalsContact C-OE1 3.29Å; H126-Q128 PolarHBondContact O-N 3.48Å | ||
| 129 | T | 94.1 | Very high | 93.5 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 34% | 0.344 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 123.9 | -174.7 | -56.8 | 0 | 0 | 0 | 0 | 108.7 | W122 E123 | W122-T129 CarbonylContact C-O 3.55Å; W122-T129 WeakPolarHBondContact CA-O 3.45Å; E123-T129 HydrophobicContact CG-CG2 3.88Å; E123-T129 PolarHBondContact N-O 3.12Å; E123-T129 WeakPolarHBondContact O-CB 3.42Å; E123-T129 PolarHBondContact O-N 3.2Å |
| 130 | P | 94.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 66.4 Ų | 66.4 | 15% | 0.149 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136.1 | 172.2 | 30.1 | -33.7 | 0 | 0 | 0 | 109.7 | G121 W122 C142 | G121-P130 CarbonylContact O-C 3.6Å; G121-P130 WeakPolarHBondContact O-CA 3.43Å; W122-P130 HydrophobicContact CE3-CB 4.21Å; W122-P130 HydrophobicContact CH2-CB 4.33Å; W122-P130 HydrophobicContact CZ3-CB 3.93Å; W122-P130 HydrophobicContact CZ3-CG 4.39Å; P130-C142 WeakPolarHBondContact CG-O 3.33Å |
| 131 | S | 94.1 | Very high | 93.5 | Very high | 36 Ų | 36 | 70.5 Ų | 70.5 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | trans | -110.8 | 129.7 | 177.5 | -163.2 | 0 | 0 | 0 | 0 | 109.2 | G121 E123 | G121-S131 WeakPolarHBondContact CA-O 3.08Å; G121-S131 PolarHBondContact O-N 2.73Å; E123-S131 VanDerWaalsContact OE2-CB 3.3Å; E123-S131 WeakPolarHBondContact OE2-CB 3.07Å; E123-S131 PolarHBondContact OE2-OG 3.07Å | ||
| 132 | C | 91.9 | Very high | 93.6 | Very high | 23 Ų | 23 | 70.8 Ų | 70.8 | 16% | 0.155 | 37% | 0.366 | C | S | . | . | trans | -105.4 | 125.1 | 178.5 | -75.6 | 0 | 0 | 0 | 0 | 108.4 | R134 C142 | C132-R134 VanDerWaalsContact CB-O 3.29Å; C132-R134 WeakPolarHBondContact CB-O 3.35Å; C132-R134 PolarHBondContact O-N 3.32Å; C132-C142 HydrophobicContact CB-CB 3.96Å; C132-C142 WeakPolarHBondContact CB-SG 3.42Å; C132-C142 PolarHBondContact N-SG 3.45Å; C132-C142 WeakPolarHBondContact SG-CB 2.99Å; C132-C142 CovalentContact SG-SG 2.04Å; C132-C142 PolarHBondContact SG-SG 2.98Å | ||
| 133 | R | 91 | Very high | 93.5 | Very high | 210 Ų | 210 | 70.7 Ų | 70.7 | 79% | 0.792 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -59.7 | -31.4 | 178.2 | -74.2 | -177 | -94.4 | -157.1 | -9.6 | 112.3 | D146 | R133-D146 WeakPolarHBondContact CB-OD1 3.12Å; R133-D146 IonicContact CZ-OD2 3.24Å; R133-D146 VanDerWaalsContact CZ-OD2 3.24Å; R133-D146 PolarHBondContact N-OD1 2.03Å; R133-D146 IonicContact NE-OD1 3.62Å; R133-D146 IonicContact NE-OD2 2.84Å; R133-D146 PolarHBondContact NE-OD2 3.18Å; R133-D146 IonicContact NH2-OD2 2.77Å; R133-D146 PolarHBondContact NH2-OD2 3.13Å |
| 134 | R | 91.8 | Very high | 93.4 | Very high | 168 Ų | 168 | 70.6 Ų | 70.6 | 63% | 0.634 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -107.9 | 129.1 | 171.7 | -62 | -178.2 | 178.9 | -167.6 | -0.5 | 108.8 | C132 T158 | C132-R134 VanDerWaalsContact CB-O 3.29Å; C132-R134 WeakPolarHBondContact CB-O 3.35Å; C132-R134 PolarHBondContact O-N 3.32Å; R134-T158 HydrophobicContact CB-CG2 3.59Å; R134-T158 HydrophobicContact CG-CG2 4.43Å |
| 135 | P | 92.8 | Very high | 93.4 | Very high | 92 Ų | 92 | 71 Ų | 71 | 60% | 0.597 | 37% | 0.368 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 139.9 | 180 | 25.8 | -33.1 | 0 | 0 | 0 | 110.7 | L137 | P135-L137 HydrophobicContact CG-CD2 4.42Å; P135-L137 PolarHBondContact O-N 2.03Å |
| 136 | C | 94.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 68.1 Ų | 68.1 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -74 | 117.1 | 171.2 | -52.6 | 0 | 0 | 0 | 0 | 109.1 | G140 C142 C148 | C136-G140 WeakPolarHBondContact CB-O 3.33Å; C136-C142 PolarHBondContact SG-N 2.86Å; C136-C142 VanDerWaalsContact SG-N 3.42Å; C136-C148 WeakPolarHBondContact CA-SG 3.38Å; C136-C148 HydrophobicContact CB-CB 3.76Å; C136-C148 WeakPolarHBondContact CB-SG 3.47Å; C136-C148 VanDerWaalsContact SG-CA 3.54Å; C136-C148 WeakPolarHBondContact SG-CB 3.26Å; C136-C148 CovalentContact SG-SG 2.03Å; C136-C148 PolarHBondContact SG-SG 3.23Å |
| 137 | L | 95.1 | Very high | 93.3 | Very high | 79 Ų | 79 | 72.3 Ų | 72.3 | 41% | 0.414 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 173 | -177.4 | -56.5 | -179.1 | 0 | 0 | 0 | 111.5 | P135 G139 G140 T158 C159 A160 | P135-L137 HydrophobicContact CG-CD2 4.42Å; P135-L137 PolarHBondContact O-N 2.03Å; L137-G139 PolarHBondContact O-N 3.02Å; L137-G139 VanDerWaalsContact O-N 3.1Å; L137-G140 PolarHBondContact O-N 2.96Å; L137-T158 WeakPolarHBondContact CB-O 3.42Å; L137-T158 PolarHBondContact N-O 3.31Å; L137-C159 WeakPolarHBondContact O-CB 3.08Å; L137-A160 HydrophobicContact CD1-CB 4.06Å |
| 138 | N | 94.4 | Very high | 93.3 | Very high | 78 Ų | 78 | 73 Ų | 73 | 42% | 0.417 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 34.2 | 174.3 | -58.8 | -52.6 | 0 | 0 | 0 | 114.1 | G140 F154 C159 | N138-G140 VanDerWaalsContact C-N 3.3Å; N138-G140 PolarHBondContact O-N 3.25Å; N138-F154 HydrophobicContact CB-CD1 3.58Å; N138-F154 HydrophobicContact CB-CD2 4Å; N138-F154 HydrophobicContact CB-CE1 3.51Å; N138-F154 HydrophobicContact CB-CE2 3.94Å; N138-F154 HydrophobicContact CB-CG 3.83Å; N138-F154 HydrophobicContact CB-CZ 3.7Å; N138-F154 WeakPolarHBondContact ND2-CD1 3.26Å; N138-F154 WeakPolarHBondContact ND2-CE1 3.42Å; N138-C159 PolarHBondContact ND2-O 2.97Å |
| 139 | G | 91.9 | Very high | 93.4 | Very high | 50 Ų | 50 | 74.5 Ų | 74.5 | 52% | 0.515 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73 | 17.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L137 R151 | L137-G139 PolarHBondContact O-N 3.02Å; L137-G139 VanDerWaalsContact O-N 3.1Å; G139-R151 PolarHBondContact O-NE 3.18Å |
| 140 | G | 94.1 | Very high | 93.4 | Very high | 15 Ų | 15 | 73.3 Ų | 73.3 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | trans | -66.8 | 155.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | C136 L137 N138 H149 | C136-G140 WeakPolarHBondContact CB-O 3.33Å; L137-G140 PolarHBondContact O-N 2.96Å; N138-G140 VanDerWaalsContact C-N 3.3Å; N138-G140 PolarHBondContact O-N 3.25Å; G140-H149 CarbonylContact C-O 3.47Å; G140-H149 WeakPolarHBondContact CA-O 3.05Å | ||
| 141 | R | 94.8 | Very high | 93.4 | Very high | 182 Ų | 182 | 80.3 Ų | 80.3 | 69% | 0.687 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.5 | -179.3 | -166.9 | 175.5 | 78.1 | 159.7 | 3.1 | 110.8 | V143 H149 | R141-V143 HydrophobicContact CB-CG1 4.45Å; R141-V143 PolarHBondContact O-N 2.03Å; R141-H149 PolarHBondContact N-O 3.01Å; R141-H149 PolarHBondContact O-N 3.47Å |
| 142 | C | 95 | Very high | 93.4 | Very high | 27 Ų | 27 | 90.6 Ų | 90.6 | 18% | 0.182 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 118.8 | 168.4 | -164.9 | 0 | 0 | 0 | 0 | 108.1 | P130 C132 C136 L144 | P130-C142 WeakPolarHBondContact CG-O 3.33Å; C132-C142 HydrophobicContact CB-CB 3.96Å; C132-C142 WeakPolarHBondContact CB-SG 3.42Å; C132-C142 PolarHBondContact N-SG 3.45Å; C132-C142 WeakPolarHBondContact SG-CB 2.99Å; C132-C142 CovalentContact SG-SG 2.04Å; C132-C142 PolarHBondContact SG-SG 2.98Å; C136-C142 PolarHBondContact SG-N 2.86Å; C136-C142 VanDerWaalsContact SG-N 3.42Å; C142-L144 PolarHBondContact SG-O 2.85Å; C142-L144 VanDerWaalsContact SG-O 3.36Å |
| 143 | V | 94.1 | Very high | 93.4 | Very high | 46 Ų | 46 | 91.4 Ų | 91.4 | 28% | 0.279 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | -19.4 | -179 | -62.4 | 0 | 0 | 0 | 0 | 112.8 | R141 Y147 H149 | R141-V143 HydrophobicContact CB-CG1 4.45Å; R141-V143 PolarHBondContact O-N 2.03Å; V143-Y147 HydrophobicContact CG2-CD1 3.47Å; V143-Y147 VanDerWaalsContact CG2-CD1 3.47Å; V143-Y147 HydrophobicContact CG2-CE1 3.74Å; V143-Y147 PolarHBondContact N-O 3.04Å; V143-Y147 VanDerWaalsContact N-O 3.15Å; V143-H149 HydrophobicContact CG1-CB 3.78Å; V143-H149 HydrophobicContact CG2-CB 3.98Å |
| 144 | L | 91.1 | Very high | 93.5 | Very high | 92 Ų | 92 | 84 Ų | 84 | 48% | 0.482 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 162 | 171.3 | -73.2 | 169.7 | 0 | 0 | 0 | 108.3 | W122 C142 D146 Y147 | W122-L144 HydrophobicContact CH2-CD2 4.48Å; W122-L144 HydrophobicContact CZ2-CD2 4.49Å; C142-L144 PolarHBondContact SG-O 2.85Å; C142-L144 VanDerWaalsContact SG-O 3.36Å; L144-D146 PolarHBondContact O-N 3.49Å; L144-D146 VanDerWaalsContact O-N 3.16Å; L144-Y147 PolarHBondContact O-N 3.28Å |
| 145 | P | 91.9 | Very high | 93.6 | Very high | 47 Ų | 47 | 81.2 Ų | 81.2 | 31% | 0.305 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.4 | 121.5 | 173.6 | -30.5 | 36 | 0 | 0 | 0 | 112.1 | G121 W122 Y147 | G121-P145 WeakPolarHBondContact O-CG 2.99Å; W122-P145 HydrophobicContact CD2-CG 4.45Å; W122-P145 HydrophobicContact CZ2-CG 4.08Å; P145-Y147 PolarHBondContact O-N 3.3Å |
| 146 | D | 89.3 | Confident | 93.5 | Very high | 54 Ų | 54 | 78.6 Ų | 78.6 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 19.7 | -179.3 | -64.5 | -39.4 | 0 | 0 | 0 | 116 | R133 L144 | R133-D146 WeakPolarHBondContact CB-OD1 3.12Å; R133-D146 IonicContact CZ-OD2 3.24Å; R133-D146 VanDerWaalsContact CZ-OD2 3.24Å; R133-D146 PolarHBondContact N-OD1 2.03Å; R133-D146 IonicContact NE-OD1 3.62Å; R133-D146 IonicContact NE-OD2 2.84Å; R133-D146 PolarHBondContact NE-OD2 3.18Å; R133-D146 IonicContact NH2-OD2 2.77Å; R133-D146 PolarHBondContact NH2-OD2 3.13Å; L144-D146 PolarHBondContact O-N 3.49Å; L144-D146 VanDerWaalsContact O-N 3.16Å |
| 147 | Y | 93.4 | Very high | 93.3 | Very high | 133 Ų | 133 | 83 Ų | 83 | 52% | 0.522 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 113.9 | 177.1 | -179 | -88.4 | 0 | 0 | 0 | 111.7 | V143 L144 P145 | V143-Y147 HydrophobicContact CG2-CD1 3.47Å; V143-Y147 VanDerWaalsContact CG2-CD1 3.47Å; V143-Y147 HydrophobicContact CG2-CE1 3.74Å; V143-Y147 PolarHBondContact N-O 3.04Å; V143-Y147 VanDerWaalsContact N-O 3.15Å; L144-Y147 PolarHBondContact O-N 3.28Å; P145-Y147 PolarHBondContact O-N 3.3Å |
| 148 | C | 95.1 | Very high | 93.2 | Very high | 13 Ų | 13 | 80.6 Ų | 80.6 | 9% | 0.088 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 125 | 177.6 | -67 | 0 | 0 | 0 | 0 | 111.6 | C136 C150 L157 | C136-C148 WeakPolarHBondContact CA-SG 3.38Å; C136-C148 HydrophobicContact CB-CB 3.76Å; C136-C148 WeakPolarHBondContact CB-SG 3.47Å; C136-C148 VanDerWaalsContact SG-CA 3.54Å; C136-C148 WeakPolarHBondContact SG-CB 3.26Å; C136-C148 CovalentContact SG-SG 2.03Å; C136-C148 PolarHBondContact SG-SG 3.23Å; C148-C150 PolarHBondContact O-N 2.04Å; C148-L157 WeakPolarHBondContact CB-O 3.14Å; C148-L157 PolarHBondContact SG-O 3.29Å |
| 149 | H | 95.9 | Very high | 93.3 | Very high | 115 Ų | 115 | 76.9 Ų | 76.9 | 53% | 0.532 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 112.7 | 164.2 | -176.6 | 74 | 0 | 0 | 0 | 109.6 | G140 R141 V143 | G140-H149 CarbonylContact C-O 3.47Å; G140-H149 WeakPolarHBondContact CA-O 3.05Å; R141-H149 PolarHBondContact N-O 3.01Å; R141-H149 PolarHBondContact O-N 3.47Å; V143-H149 HydrophobicContact CG1-CB 3.78Å; V143-H149 HydrophobicContact CG2-CB 3.98Å |
| 150 | C | 95.2 | Very high | 93.4 | Very high | 30 Ų | 30 | 76.9 Ų | 76.9 | 20% | 0.203 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -84.7 | 145.1 | -177.4 | -55.4 | 0 | 0 | 0 | 0 | 112.5 | C148 F154 C159 | C148-C150 PolarHBondContact O-N 2.04Å; C150-F154 HydrophobicContact CB-CB 4.3Å; C150-F154 VanDerWaalsContact CB-O 3.29Å; C150-F154 WeakPolarHBondContact CB-O 3.43Å; C150-C159 WeakPolarHBondContact CA-SG 3.06Å; C150-C159 HydrophobicContact CB-CB 3.76Å; C150-C159 WeakPolarHBondContact CB-SG 3.43Å; C150-C159 WeakPolarHBondContact SG-CA 3.01Å; C150-C159 WeakPolarHBondContact SG-CB 3.45Å; C150-C159 CovalentContact SG-SG 2.04Å; C150-C159 PolarHBondContact SG-SG 3.3Å |
| 151 | R | 94.5 | Very high | 93.4 | Very high | 171 Ų | 171 | 80.6 Ų | 80.6 | 65% | 0.645 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 156.3 | 167 | -74.6 | -170.8 | 179.9 | -143.8 | 0.7 | 110.5 | G139 G153 F154 | G139-R151 PolarHBondContact O-NE 3.18Å; R151-G153 PolarHBondContact O-N 3.07Å; R151-F154 PolarHBondContact O-N 3.03Å |
| 152 | R | 93.4 | Very high | 93.2 | Very high | 252 Ų | 252 | 79.8 Ų | 79.8 | 95% | 0.951 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 135.1 | 174.5 | -70.8 | -175.9 | 176.3 | 165.9 | -1.4 | 110.4 | ||
| 153 | G | 92.1 | Very high | 92.8 | Very high | 40 Ų | 40 | 80.1 Ų | 80.1 | 41% | 0.412 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | 2.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R151 K162 A163 | R151-G153 PolarHBondContact O-N 3.07Å; G153-K162 CarbonylContact O-C 3.51Å; G153-K162 WeakPolarHBondContact O-CA 3.32Å; G153-A163 PolarHBondContact O-N 2.76Å |
| 154 | F | 94.3 | Very high | 92.1 | Very high | 54 Ų | 54 | 82.9 Ų | 82.9 | 24% | 0.237 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 146 | 173.5 | -63.7 | -85.6 | 0 | 0 | 0 | 111.8 | N138 C150 R151 C159 I161 K162 | N138-F154 HydrophobicContact CB-CD1 3.58Å; N138-F154 HydrophobicContact CB-CD2 4Å; N138-F154 HydrophobicContact CB-CE1 3.51Å; N138-F154 HydrophobicContact CB-CE2 3.94Å; N138-F154 HydrophobicContact CB-CG 3.83Å; N138-F154 HydrophobicContact CB-CZ 3.7Å; N138-F154 WeakPolarHBondContact ND2-CD1 3.26Å; N138-F154 WeakPolarHBondContact ND2-CE1 3.42Å; C150-F154 HydrophobicContact CB-CB 4.3Å; C150-F154 VanDerWaalsContact CB-O 3.29Å; C150-F154 WeakPolarHBondContact CB-O 3.43Å; R151-F154 PolarHBondContact O-N 3.03Å; F154-C159 HydrophobicContact CB-CB 4.34Å; F154-I161 CarbonylContact C-O 3.53Å; F154-I161 VanDerWaalsContact CA-O 3.25Å; F154-I161 WeakPolarHBondContact CA-O 3.08Å; F154-K162 HydrophobicContact CD1-CG 4.09Å; F154-K162 HydrophobicContact CE1-CG 3.61Å; F154-K162 HydrophobicContact CZ-CG 4.31Å |
| 155 | K | 92.9 | Very high | 90.7 | Very high | 109 Ų | 109 | 88 Ų | 88 | 47% | 0.474 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 174.9 | 179.9 | 66.5 | -179 | 179.1 | -177.7 | 0 | 112 | C159 I161 A163 | K155-C159 WeakPolarHBondContact O-CA 3.36Å; K155-I161 HydrophobicContact CG-CB 3.98Å; K155-I161 HydrophobicContact CG-CG2 4.01Å; K155-I161 PolarHBondContact N-O 3.2Å; K155-I161 WeakPolarHBondContact O-CB 3.21Å; K155-I161 PolarHBondContact O-N 3.44Å; K155-A163 HydrophobicContact CB-CB 4.42Å; K155-A163 HydrophobicContact CD-CB 4.05Å; K155-A163 HydrophobicContact CG-CB 4.15Å |
| 156 | G | 90.5 | Very high | 89 | Confident | 38 Ų | 38 | 94 Ų | 94 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | S | Bend | trans | 91.9 | 171.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T158 C159 | G156-T158 VanDerWaalsContact C-N 3.28Å; G156-T158 PolarHBondContact O-N 2.85Å; G156-C159 PolarHBondContact O-N 2.98Å; G156-C159 VanDerWaalsContact O-N 3.14Å |
| 157 | L | 90.6 | Very high | 88.9 | Confident | 118 Ų | 118 | 96.1 Ų | 96.1 | 62% | 0.618 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -35.2 | -170.4 | -171.7 | 67.9 | 0 | 0 | 0 | 113.8 | C148 | C148-L157 WeakPolarHBondContact CB-O 3.14Å; C148-L157 PolarHBondContact SG-O 3.29Å |
| 158 | T | 93.4 | Very high | 88.7 | Confident | 29 Ų | 29 | 94.1 Ų | 94.1 | 18% | 0.178 | 51% | 0.511 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.7 | 11.5 | 179.5 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | R134 L137 G156 A160 | R134-T158 HydrophobicContact CB-CG2 3.59Å; R134-T158 HydrophobicContact CG-CG2 4.43Å; L137-T158 WeakPolarHBondContact CB-O 3.42Å; L137-T158 PolarHBondContact N-O 3.31Å; G156-T158 VanDerWaalsContact C-N 3.28Å; G156-T158 PolarHBondContact O-N 2.85Å; T158-A160 PolarHBondContact O-N 3.12Å; T158-A160 VanDerWaalsContact O-N 3.16Å |
| 159 | C | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 98.6 Ų | 98.6 | 0% | 0 | 54% | 0.535 | C | S | . | . | S | Bend | trans | 57.8 | 22.9 | -173.3 | -49.5 | 0 | 0 | 0 | 0 | 114.6 | L137 N138 C150 F154 K155 G156 I161 | L137-C159 WeakPolarHBondContact O-CB 3.08Å; N138-C159 PolarHBondContact ND2-O 2.97Å; C150-C159 WeakPolarHBondContact CA-SG 3.06Å; C150-C159 HydrophobicContact CB-CB 3.76Å; C150-C159 WeakPolarHBondContact CB-SG 3.43Å; C150-C159 WeakPolarHBondContact SG-CA 3.01Å; C150-C159 WeakPolarHBondContact SG-CB 3.45Å; C150-C159 CovalentContact SG-SG 2.04Å; C150-C159 PolarHBondContact SG-SG 3.3Å; F154-C159 HydrophobicContact CB-CB 4.34Å; K155-C159 WeakPolarHBondContact O-CA 3.36Å; G156-C159 PolarHBondContact O-N 2.98Å; G156-C159 VanDerWaalsContact O-N 3.14Å; C159-I161 VanDerWaalsContact C-N 3.34Å |
| 160 | A | 94.4 | Very high | 87.9 | Confident | 49 Ų | 49 | 97.6 Ų | 97.6 | 41% | 0.405 | 54% | 0.535 | S | S | . | . | trans | -72.7 | -26 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L137 T158 | L137-A160 HydrophobicContact CD1-CB 4.06Å; T158-A160 PolarHBondContact O-N 3.12Å; T158-A160 VanDerWaalsContact O-N 3.16Å | ||
| 161 | I | 93.3 | Very high | 87.4 | Confident | 94 Ų | 94 | 101.9 Ų | 101.9 | 48% | 0.482 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.2 | -169.3 | -52.1 | 171.6 | 0 | 0 | 0 | 108.8 | F154 K155 C159 A163 | F154-I161 CarbonylContact C-O 3.53Å; F154-I161 VanDerWaalsContact CA-O 3.25Å; F154-I161 WeakPolarHBondContact CA-O 3.08Å; K155-I161 HydrophobicContact CG-CB 3.98Å; K155-I161 HydrophobicContact CG-CG2 4.01Å; K155-I161 PolarHBondContact N-O 3.2Å; K155-I161 WeakPolarHBondContact O-CB 3.21Å; K155-I161 PolarHBondContact O-N 3.44Å; C159-I161 VanDerWaalsContact C-N 3.34Å; I161-A163 PolarHBondContact O-N 2.82Å |
| 162 | K | 92.1 | Very high | 87 | Confident | 165 Ų | 165 | 97.3 Ų | 97.3 | 72% | 0.717 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65 | 121.3 | 167.3 | -78.5 | -179.7 | 178.6 | 177.1 | 0 | 109 | G153 F154 S164 | G153-K162 CarbonylContact O-C 3.51Å; G153-K162 WeakPolarHBondContact O-CA 3.32Å; F154-K162 HydrophobicContact CD1-CG 4.09Å; F154-K162 HydrophobicContact CE1-CG 3.61Å; F154-K162 HydrophobicContact CZ-CG 4.31Å; K162-S164 PolarHBondContact O-N 2.8Å |
| 163 | A | 85.3 | Confident | 86.5 | Confident | 34 Ų | 34 | 86.2 Ų | 86.2 | 28% | 0.281 | 52% | 0.521 | S | S | . | . | trans | -73 | 111.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | G153 K155 I161 Q165 | G153-A163 PolarHBondContact O-N 2.76Å; K155-A163 HydrophobicContact CB-CB 4.42Å; K155-A163 HydrophobicContact CD-CB 4.05Å; K155-A163 HydrophobicContact CG-CB 4.15Å; I161-A163 PolarHBondContact O-N 2.82Å; A163-Q165 PolarHBondContact O-N 3.06Å | ||
| 164 | S | 79.4 | Confident | 86.1 | Confident | 104 Ų | 104 | 89.8 Ų | 89.8 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | trans | -53.7 | 132.4 | 168.7 | 24.1 | 0 | 0 | 0 | 0 | 108.8 | K162 A166 | K162-S164 PolarHBondContact O-N 2.8Å; S164-A166 PolarHBondContact O-N 3.33Å | ||
| 165 | Q | 62.7 | Low | 85.4 | Confident | 198 Ų | 198 | 92.8 Ų | 92.8 | 93% | 0.925 | 55% | 0.554 | S | S | * | * | trans | -54.5 | 122.8 | 171.3 | -70.6 | 168.3 | -10.6 | 0 | 0 | 107.6 | A163 | A163-Q165 PolarHBondContact O-N 3.06Š| ||
| 166 | A | 55.2 | Low | 84.7 | Confident | 175 Ų | 175 | 91.3 Ų | 91.3 | 100% | 1.446 | 56% | 0.561 | S | S | * | * | trans | -89.9 | 0 | 159.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | S164 | S164-A166 PolarHBondContact O-N 3.33Š|
Retrieved 166 of 166 residues in 68.9 ms
(Link to these results)