| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 43.4 | Very low | 74.4 | Confident | 223 Ų | 223 | 97.1 Ų | 97.1 | 100% | 1.099 | 54% | 0.542 | S | S | * | . | 0 | 120.2 | 0 | -148 | 175.4 | -79.5 | 0 | 0 | 105.2 | S3 | M1-S3 PolarHBondContact O-N 3.21Š| |||
| 2 | K | 50.8 | Low | 75.2 | Confident | 166 Ų | 166 | 94.9 Ų | 94.9 | 72% | 0.722 | 53% | 0.528 | S | S | * | . | trans | -77 | 108.3 | 176.8 | -52.5 | -163 | 174.9 | -176.5 | 0 | 106.3 | L26 | K2-L26 HydrophobicContact CB-CD2 3.91Å; K2-L26 HydrophobicContact CD-CD2 3.82Å; K2-L26 HydrophobicContact CG-CD2 3.48Å; K2-L26 VanDerWaalsContact CG-CD2 3.48Å | ||
| 3 | S | 62.5 | Low | 75.9 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 53% | 0.531 | 55% | 0.545 | S | S | . | . | trans | -110.2 | 96 | -178.1 | -58.3 | 0 | 0 | 0 | 0 | 108 | M1 | M1-S3 PolarHBondContact O-N 3.21Š| ||
| 4 | A | 71.9 | Confident | 76.6 | Confident | 44 Ų | 44 | 98.2 Ų | 98.2 | 36% | 0.364 | 55% | 0.546 | S | S | . | . | trans | -65.4 | 147.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | V6 V17 | A4-V6 WeakPolarHBondContact O-CG2 3.44Å; A4-V6 PolarHBondContact O-N 3.2Å; A4-V17 HydrophobicContact CB-CG1 3.53Å | ||
| 5 | P | 81.1 | Confident | 77.3 | Confident | 15 Ų | 15 | 100.1 Ų | 100.1 | 10% | 0.097 | 55% | 0.549 | C | S | . | . | trans | -63.5 | 131.2 | 174.7 | 25.9 | -31.9 | 0 | 0 | 0 | 109.9 | L18 V20 V28 A30 | P5-L18 HydrophobicContact CB-CB 4.43Å; P5-L18 HydrophobicContact CB-CD1 4.25Å; P5-L18 HydrophobicContact CG-CB 4.07Å; P5-L18 PolarHBondContact O-N 2.74Å; P5-V20 HydrophobicContact CG-CG2 4.28Å; P5-V28 HydrophobicContact CB-CG1 4.39Å; P5-V28 HydrophobicContact CG-CB 4.13Å; P5-V28 HydrophobicContact CG-CG1 3.84Å; P5-A30 HydrophobicContact CB-CB 4.31Å | ||
| 6 | V | 86 | Confident | 78 | Confident | 72 Ų | 72 | 97.1 Ų | 97.1 | 44% | 0.436 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 126.7 | -177.6 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | A4 L8 H15 V16 V17 | A4-V6 WeakPolarHBondContact O-CG2 3.44Å; A4-V6 PolarHBondContact O-N 3.2Å; V6-L8 HydrophobicContact CG1-CD2 4.36Å; V6-L8 HydrophobicContact CG1-CG 4.37Å; V6-H15 HydrophobicContact CG1-CB 3.71Å; V6-V16 CarbonylContact C-O 3.6Å; V6-V16 WeakPolarHBondContact CA-O 3.44Å; V6-V17 HydrophobicContact CG2-CG2 4.33Å |
| 7 | M | 86.3 | Confident | 78.7 | Confident | 26 Ų | 26 | 96.3 Ų | 96.3 | 13% | 0.128 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 130.4 | 167.8 | -173.2 | 177.7 | 72.9 | 0 | 0 | 109.1 | H15 V16 L18 F32 I39 T53 Q56 | M7-H15 CarbonylContact O-C 3.58Å; M7-H15 VanDerWaalsContact O-CA 3.27Å; M7-H15 WeakPolarHBondContact O-CA 3.21Å; M7-V16 HydrophobicContact CE-CB 4.38Å; M7-V16 HydrophobicContact CE-CG2 4.43Å; M7-V16 PolarHBondContact N-O 3.04Å; M7-V16 PolarHBondContact O-N 3.11Å; M7-L18 HydrophobicContact CB-CD2 4.05Å; M7-L18 HydrophobicContact CB-CG 4.34Å; M7-F32 HydrophobicContact CG-CZ 4.42Å; M7-I39 HydrophobicContact SD-CD1 3.59Å; M7-I39 VanDerWaalsContact SD-CD1 3.59Å; M7-T53 HydrophobicContact SD-CG2 4.36Å; M7-Q56 VanDerWaalsContact CE-NE2 3.27Å |
| 8 | L | 86.8 | Confident | 79.3 | Confident | 119 Ų | 119 | 91.3 Ų | 91.3 | 62% | 0.623 | 51% | 0.505 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 124.8 | 179.3 | -71 | 166.8 | 0 | 0 | 0 | 109.7 | V6 H15 | V6-L8 HydrophobicContact CG1-CD2 4.36Å; V6-L8 HydrophobicContact CG1-CG 4.37Å; L8-H15 HydrophobicContact CD2-CB 3.52Å |
| 9 | T | 84.1 | Confident | 79.7 | Confident | 51 Ų | 51 | 89.8 Ų | 89.8 | 31% | 0.313 | 50% | 0.5 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 112.1 | 174.6 | -57.4 | 0 | 0 | 0 | 0 | 108.8 | S11 D12 S13 K14 | T9-S11 VanDerWaalsContact C-N 3.33Å; T9-S11 WeakPolarHBondContact CG2-OG 3.34Å; T9-S11 PolarHBondContact O-N 3.42Å; T9-D12 WeakPolarHBondContact CB-OD1 3.43Å; T9-D12 VanDerWaalsContact CG2-OD1 3.22Å; T9-D12 WeakPolarHBondContact CG2-OD1 3.33Å; T9-S13 VanDerWaalsContact O-CA 3.26Å; T9-S13 WeakPolarHBondContact O-CA 3.41Å; T9-S13 PolarHBondContact O-N 2.85Å; T9-K14 PolarHBondContact N-O 3.42Å |
| 10 | L | 82.4 | Confident | 80.1 | Confident | 161 Ų | 161 | 87.4 Ų | 87.4 | 84% | 0.843 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -31.8 | -173 | -64.7 | 179.3 | 0 | 0 | 0 | 113.4 | ||
| 11 | S | 83.4 | Confident | 80.3 | Confident | 115 Ų | 115 | 86.9 Ų | 86.9 | 80% | 0.804 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -34.2 | -175.9 | 53.1 | 0 | 0 | 0 | 0 | 113.8 | T9 | T9-S11 VanDerWaalsContact C-N 3.33Å; T9-S11 WeakPolarHBondContact CG2-OG 3.34Å; T9-S11 PolarHBondContact O-N 3.42Å |
| 12 | D | 83.6 | Confident | 82 | Confident | 71 Ų | 71 | 79.4 Ų | 79.4 | 38% | 0.38 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.4 | 3.8 | -177.6 | 71.1 | -8.4 | 0 | 0 | 0 | 113.5 | T9 K14 | T9-D12 WeakPolarHBondContact CB-OD1 3.43Å; T9-D12 VanDerWaalsContact CG2-OD1 3.22Å; T9-D12 WeakPolarHBondContact CG2-OD1 3.33Å; D12-K14 HydrophobicContact CB-CG 4.35Å; D12-K14 PolarHBondContact O-N 2.75Å; D12-K14 WeakPolarHBondContact OD1-CB 3.23Å; D12-K14 PolarHBondContact OD1-N 3.14Å; D12-K14 VanDerWaalsContact OD1-N 3.11Å; D12-K14 VanDerWaalsContact OD2-CD 3.23Å; D12-K14 WeakPolarHBondContact OD2-CD 3.19Å; D12-K14 WeakPolarHBondContact OD2-CE 3.26Å; D12-K14 WeakPolarHBondContact OD2-CG 3.22Å; D12-K14 IonicContact OD2-NZ 2.75Å; D12-K14 PolarHBondContact OD2-NZ 3.38Å |
| 13 | S | 83.9 | Confident | 83.3 | Confident | 106 Ų | 106 | 78.5 Ų | 78.5 | 74% | 0.741 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 22.6 | -177.1 | -59.7 | 0 | 0 | 0 | 0 | 113.8 | T9 | T9-S13 VanDerWaalsContact O-CA 3.26Å; T9-S13 WeakPolarHBondContact O-CA 3.41Å; T9-S13 PolarHBondContact O-N 2.85Å |
| 14 | K | 86.6 | Confident | 84.1 | Confident | 130 Ų | 130 | 78 Ų | 78 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 152 | 174.2 | -67.2 | -167.5 | -162.8 | 116.3 | 0 | 110.4 | T9 D12 | T9-K14 PolarHBondContact N-O 3.42Å; D12-K14 HydrophobicContact CB-CG 4.35Å; D12-K14 PolarHBondContact O-N 2.75Å; D12-K14 WeakPolarHBondContact OD1-CB 3.23Å; D12-K14 PolarHBondContact OD1-N 3.14Å; D12-K14 VanDerWaalsContact OD1-N 3.11Å; D12-K14 VanDerWaalsContact OD2-CD 3.23Å; D12-K14 WeakPolarHBondContact OD2-CD 3.19Å; D12-K14 WeakPolarHBondContact OD2-CE 3.26Å; D12-K14 WeakPolarHBondContact OD2-CG 3.22Å; D12-K14 IonicContact OD2-NZ 2.75Å; D12-K14 PolarHBondContact OD2-NZ 3.38Å |
| 15 | H | 87.1 | Confident | 84.4 | Confident | 127 Ų | 127 | 76.6 Ų | 76.6 | 59% | 0.588 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 142.3 | 177.3 | 70.7 | -87.9 | 0 | 0 | 0 | 110.3 | V6 M7 L8 | V6-H15 HydrophobicContact CG1-CB 3.71Å; M7-H15 CarbonylContact O-C 3.58Å; M7-H15 VanDerWaalsContact O-CA 3.27Å; M7-H15 WeakPolarHBondContact O-CA 3.21Å; L8-H15 HydrophobicContact CD2-CB 3.52Å |
| 16 | V | 88.3 | Confident | 84.2 | Confident | 51 Ų | 51 | 80 Ų | 80 | 31% | 0.309 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 124.6 | 174.4 | -179.6 | 0 | 0 | 0 | 0 | 107.7 | V6 M7 L18 Q56 | V6-V16 CarbonylContact C-O 3.6Å; V6-V16 WeakPolarHBondContact CA-O 3.44Å; M7-V16 HydrophobicContact CE-CB 4.38Å; M7-V16 HydrophobicContact CE-CG2 4.43Å; M7-V16 PolarHBondContact N-O 3.04Å; M7-V16 PolarHBondContact O-N 3.11Å; V16-L18 PolarHBondContact O-N 2.91Å; V16-Q56 HydrophobicContact CG1-CG 4.1Å |
| 17 | V | 89.1 | Confident | 84.3 | Confident | 84 Ų | 84 | 82.3 Ų | 82.3 | 51% | 0.509 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 121.4 | 171.4 | -177.2 | 0 | 0 | 0 | 0 | 107.4 | A4 V6 | A4-V17 HydrophobicContact CB-CG1 3.53Å; V6-V17 HydrophobicContact CG2-CG2 4.33Å |
| 18 | L | 90 | Very high | 84.5 | Confident | 7 Ų | 7 | 82.6 Ų | 82.6 | 4% | 0.037 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 144 | -179.1 | -61 | 176.8 | 0 | 0 | 0 | 110.2 | P5 M7 V16 I39 T41 L51 Q56 | P5-L18 HydrophobicContact CB-CB 4.43Å; P5-L18 HydrophobicContact CB-CD1 4.25Å; P5-L18 HydrophobicContact CG-CB 4.07Å; P5-L18 PolarHBondContact O-N 2.74Å; M7-L18 HydrophobicContact CB-CD2 4.05Å; M7-L18 HydrophobicContact CB-CG 4.34Å; V16-L18 PolarHBondContact O-N 2.91Å; L18-I39 HydrophobicContact CD1-CD1 4.29Å; L18-I39 HydrophobicContact CD1-CG2 3.8Å; L18-I39 HydrophobicContact CD2-CD1 4.07Å; L18-T41 HydrophobicContact CD1-CG2 4.16Å; L18-L51 HydrophobicContact CB-CD1 4.05Å; L18-L51 HydrophobicContact CD2-CD1 4.2Å; L18-L51 HydrophobicContact CG-CD1 4.49Å; L18-Q56 HydrophobicContact CD2-CG 3.86Å |
| 19 | P | 87.1 | Confident | 84.9 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 40% | 0.403 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -60.8 | 141.2 | 175.8 | 25.9 | -34.9 | 0 | 0 | 0 | 111.1 | L51 | P19-L51 HydrophobicContact CG-CD1 3.71Å; P19-L51 HydrophobicContact CG-CD2 3.8Å; P19-L51 HydrophobicContact CG-CG 4.42Å |
| 20 | V | 88.1 | Confident | 85.4 | Confident | 41 Ų | 41 | 78.3 Ų | 78.3 | 25% | 0.248 | 45% | 0.447 | C | S | . | . | trans | -116.9 | 146.5 | 177.5 | -171.1 | 0 | 0 | 0 | 0 | 108.3 | P5 D25 V28 | P5-V20 HydrophobicContact CG-CG2 4.28Å; V20-D25 HydrophobicContact CG1-CB 3.91Å; V20-V28 HydrophobicContact CG1-CG2 4.07Å | ||
| 21 | D | 83.4 | Confident | 86 | Confident | 77 Ų | 77 | 72.3 Ų | 72.3 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -63.6 | -41.2 | -179.2 | -167.7 | 45.4 | 0 | 0 | 0 | 111.8 | K47 L49 | D21-K47 HydrophobicContact CB-CG 4.26Å; D21-K47 WeakPolarHBondContact OD2-CG 2.97Å; D21-L49 HydrophobicContact CB-CD1 4.15Å; D21-L49 HydrophobicContact CB-CD2 4.37Å |
| 22 | D | 80.3 | Confident | 86.5 | Confident | 67 Ų | 67 | 71.7 Ų | 71.7 | 36% | 0.358 | 40% | 0.402 | S | S | . | . | trans | -142.2 | 127.2 | -178 | -178.6 | -20.6 | 0 | 0 | 0 | 109.8 | S24 D25 K45 | D22-S24 PolarHBondContact O-N 2.91Å; D22-S24 VanDerWaalsContact OD1-CB 3.31Å; D22-S24 WeakPolarHBondContact OD1-CB 3.23Å; D22-S24 PolarHBondContact OD1-N 3.03Å; D22-S24 PolarHBondContact OD1-OG 2.91Å; D22-S24 PolarHBondContact OD2-OG 2.82Å; D22-D25 VanDerWaalsContact O-CB 3.26Å; D22-D25 WeakPolarHBondContact O-CB 3.27Å; D22-D25 PolarHBondContact O-N 3.16Å; D22-K45 IonicContact OD2-NZ 2.75Å; D22-K45 PolarHBondContact OD2-NZ 3.47Å | ||
| 23 | D | 77.4 | Confident | 87 | Confident | 146 Ų | 146 | 69.5 Ų | 69.5 | 78% | 0.781 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -12.1 | -179.8 | -69.4 | -36.3 | 0 | 0 | 0 | 114 | D25 | D23-D25 VanDerWaalsContact C-N 3.32Š|
| 24 | S | 79.7 | Confident | 87.2 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 46% | 0.462 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -8.2 | 171.5 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | D22 L26 K45 | D22-S24 PolarHBondContact O-N 2.91Å; D22-S24 VanDerWaalsContact OD1-CB 3.31Å; D22-S24 WeakPolarHBondContact OD1-CB 3.23Å; D22-S24 PolarHBondContact OD1-N 3.03Å; D22-S24 PolarHBondContact OD1-OG 2.91Å; D22-S24 PolarHBondContact OD2-OG 2.82Å; S24-L26 PolarHBondContact O-N 3.22Å; S24-L26 VanDerWaalsContact O-N 3.07Å; S24-K45 PolarHBondContact OG-NZ 2.87Å |
| 25 | D | 78.8 | Confident | 87.2 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 8% | 0.08 | 36% | 0.363 | C | S | . | . | trans | -78.8 | 93.9 | 179.6 | -65.4 | -26.3 | 0 | 0 | 0 | 111.2 | V20 D22 D23 V28 N43 K45 | V20-D25 HydrophobicContact CG1-CB 3.91Å; D22-D25 VanDerWaalsContact O-CB 3.26Å; D22-D25 WeakPolarHBondContact O-CB 3.27Å; D22-D25 PolarHBondContact O-N 3.16Å; D23-D25 VanDerWaalsContact C-N 3.32Å; D25-V28 HydrophobicContact CB-CG2 4.3Å; D25-N43 HydrophobicContact CB-CB 4.04Å; D25-N43 WeakPolarHBondContact OD2-CB 3.27Å; D25-N43 PolarHBondContact OD2-ND2 3.09Å; D25-K45 WeakPolarHBondContact OD1-CD 3.05Å; D25-K45 VanDerWaalsContact OD1-CE 3.28Å; D25-K45 WeakPolarHBondContact OD1-CE 3.12Å; D25-K45 IonicContact OD1-NZ 3.66Å; D25-K45 PolarHBondContact OD1-NZ 2.87Å | ||
| 26 | L | 76.3 | Confident | 87.4 | Confident | 85 Ų | 85 | 62.8 Ų | 62.8 | 45% | 0.445 | 35% | 0.348 | S | S | . | . | trans | -78.5 | -19.5 | -176.1 | -61.6 | 178.4 | 0 | 0 | 0 | 114.3 | K2 S24 | K2-L26 HydrophobicContact CB-CD2 3.91Å; K2-L26 HydrophobicContact CD-CD2 3.82Å; K2-L26 HydrophobicContact CG-CD2 3.48Å; K2-L26 VanDerWaalsContact CG-CD2 3.48Å; S24-L26 PolarHBondContact O-N 3.22Å; S24-L26 VanDerWaalsContact O-N 3.07Å | ||
| 27 | N | 86.8 | Confident | 87.6 | Confident | 121 Ų | 121 | 64.1 Ų | 64.1 | 65% | 0.647 | 35% | 0.351 | S | S | * | . | trans | -126.5 | 104.3 | -176.1 | -64.5 | -37.8 | 0 | 0 | 0 | 108.6 | A44 | N27-A44 HydrophobicContact CB-CB 4.37Å; N27-A44 PolarHBondContact O-N 3.29Å | ||
| 28 | V | 92.3 | Very high | 87.9 | Confident | 32 Ų | 32 | 62.5 Ų | 62.5 | 19% | 0.194 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 128.7 | 175.8 | -176 | 0 | 0 | 0 | 0 | 108.1 | P5 V20 D25 G42 N43 | P5-V28 HydrophobicContact CB-CG1 4.39Å; P5-V28 HydrophobicContact CG-CB 4.13Å; P5-V28 HydrophobicContact CG-CG1 3.84Å; V20-V28 HydrophobicContact CG1-CG2 4.07Å; D25-V28 HydrophobicContact CB-CG2 4.3Å; V28-G42 CarbonylContact C-O 3.53Å; V28-G42 WeakPolarHBondContact CA-O 3.26Å; V28-N43 HydrophobicContact CG2-CB 4.38Å |
| 29 | V | 94 | Very high | 88.2 | Confident | 35 Ų | 35 | 62.3 Ų | 62.3 | 21% | 0.212 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 143.6 | 166.7 | 56.4 | 0 | 0 | 0 | 0 | 108.6 | T41 G42 I74 I77 | V29-T41 CarbonylContact O-C 3.5Å; V29-T41 VanDerWaalsContact O-CA 3.25Å; V29-T41 WeakPolarHBondContact O-CA 3.24Å; V29-G42 WeakPolarHBondContact CG1-O 3.3Å; V29-G42 PolarHBondContact N-O 3.31Å; V29-G42 PolarHBondContact O-N 2.99Å; V29-I74 HydrophobicContact CG1-CB 4.17Å; V29-I74 HydrophobicContact CG1-CG2 3.62Å; V29-I77 HydrophobicContact CG1-CD1 4.12Å; V29-I77 HydrophobicContact CG1-CG1 4.11Å |
| 30 | A | 94.7 | Very high | 88.7 | Confident | 45 Ų | 45 | 59.6 Ų | 59.6 | 37% | 0.372 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | P5 I39 Y40 T41 | P5-A30 HydrophobicContact CB-CB 4.31Å; A30-I39 HydrophobicContact CB-CG2 4.4Å; A30-Y40 CarbonylContact C-O 3.56Å; A30-Y40 VanDerWaalsContact CA-O 3.25Å; A30-Y40 WeakPolarHBondContact CA-O 3.2Å; A30-T41 HydrophobicContact CB-CG2 3.94Å |
| 31 | S | 95.1 | Very high | 89 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 25% | 0.245 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 148 | 173.5 | -165.4 | 0 | 0 | 0 | 0 | 109.9 | Y40 | S31-Y40 PolarHBondContact N-O 2.62Å; S31-Y40 PolarHBondContact O-N 2.89Å |
| 32 | F | 95 | Very high | 89.6 | Confident | 102 Ų | 102 | 54.2 Ų | 54.2 | 45% | 0.447 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 148.1 | 169.7 | -69.8 | -79.2 | 0 | 0 | 0 | 109.6 | M7 I39 T53 F79 | M7-F32 HydrophobicContact CG-CZ 4.42Å; F32-I39 HydrophobicContact CD1-CG1 3.67Å; F32-I39 HydrophobicContact CE1-CD1 3.79Å; F32-I39 HydrophobicContact CE1-CG1 3.45Å; F32-I39 VanDerWaalsContact CE1-CG1 3.45Å; F32-I39 HydrophobicContact CZ-CD1 4.37Å; F32-I39 HydrophobicContact CZ-CG1 4.31Å; F32-T53 HydrophobicContact CD1-CG2 4.45Å; F32-T53 HydrophobicContact CE1-CG2 3.82Å; F32-F79 WeakPolarHBondContact O-CD2 3.03Å; F32-F79 WeakPolarHBondContact O-CE2 3.45Å |
| 33 | D | 93.2 | Very high | 90.2 | Very high | 26 Ų | 26 | 51.3 Ų | 51.3 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | trans | -67.3 | 171.7 | 164.7 | 76.2 | -35.1 | 0 | 0 | 0 | 111 | R35 G36 E37 Y38 Y40 F79 | D33-R35 PolarHBondContact O-N 3.3Å; D33-R35 VanDerWaalsContact O-N 3.14Å; D33-G36 PolarHBondContact O-N 3.21Å; D33-G36 WeakPolarHBondContact OD1-CA 3.18Å; D33-G36 PolarHBondContact OD1-N 2.73Å; D33-E37 PolarHBondContact OD1-N 3.02Å; D33-Y38 PolarHBondContact N-O 3.41Å; D33-Y38 PolarHBondContact OD1-N 2.94Å; D33-Y40 HydrophobicContact CB-CE2 4.21Å; D33-F79 HydrophobicContact CB-CD1 4.06Å; D33-F79 HydrophobicContact CB-CE1 3.73Å; D33-F79 HydrophobicContact CB-CZ 4.08Å | ||
| 34 | R | 88.3 | Confident | 90.9 | Very high | 57 Ų | 57 | 46.2 Ų | 46.2 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -40.4 | -176.8 | -174.5 | -174.1 | 68.4 | 75.5 | -7.3 | 113 | R81 G83 D263 E264 | R34-R81 WeakPolarHBondContact CD-O 3.49Å; R34-G83 VanDerWaalsContact CD-O 3.24Å; R34-G83 WeakPolarHBondContact CD-O 3.48Å; R34-G83 PolarHBondContact NE-O 3.14Å; R34-D263 IonicContact CZ-OD1 2.97Å; R34-D263 IonicContact CZ-OD2 3.29Å; R34-D263 IonicContact NH2-OD1 3.36Å; R34-D263 PolarHBondContact NH2-OD1 3.23Å; R34-D263 VanDerWaalsContact NH2-OD1 3.09Å; R34-D263 IonicContact NH2-OD2 2.75Å; R34-D263 PolarHBondContact NH2-OD2 3.28Å; R34-E264 IonicContact CZ-OE1 2.76Å; R34-E264 IonicContact NH1-OE1 3.49Å; R34-E264 PolarHBondContact NH1-OE1 3.15Å; R34-E264 IonicContact NH1-OE2 3.83Å; R34-E264 IonicContact NH2-OE1 3.58Å |
| 35 | R | 87 | Confident | 91.5 | Very high | 136 Ų | 136 | 46 Ų | 46 | 51% | 0.513 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -5.7 | -175.7 | -64.1 | 176.4 | 69.1 | -131.7 | -12.5 | 113.1 | D33 E37 | D33-R35 PolarHBondContact O-N 3.3Å; D33-R35 VanDerWaalsContact O-N 3.14Å; R35-E37 HydrophobicContact CB-CG 4.05Å; R35-E37 IonicContact CZ-OE1 3.87Å; R35-E37 IonicContact CZ-OE2 2.77Å; R35-E37 IonicContact NH1-OE1 3.09Å; R35-E37 PolarHBondContact NH1-OE1 3.21Å; R35-E37 IonicContact NH1-OE2 3.11Å; R35-E37 PolarHBondContact NH1-OE2 3.39Å; R35-E37 IonicContact NH2-OE1 3.14Å; R35-E37 PolarHBondContact NH2-OE1 3.35Å; R35-E37 PolarHBondContact O-N 2.92Å |
| 36 | G | 90.3 | Very high | 92.2 | Very high | 28 Ų | 28 | 45.2 Ų | 45.2 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | S | Bend | trans | 65.8 | 16 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D33 Y38 T53 | D33-G36 PolarHBondContact O-N 3.21Å; D33-G36 WeakPolarHBondContact OD1-CA 3.18Å; D33-G36 PolarHBondContact OD1-N 2.73Å; G36-Y38 VanDerWaalsContact C-N 3.34Å; G36-T53 VanDerWaalsContact O-CB 3.24Å; G36-T53 WeakPolarHBondContact O-CB 3.3Å; G36-T53 PolarHBondContact O-OG1 2.98Å |
| 37 | E | 92 | Very high | 93.1 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 37% | 0.374 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -73.2 | -30.7 | 176.6 | -68.6 | -166.4 | 157.7 | 0 | 0 | 111.7 | D33 R35 T53 | D33-E37 PolarHBondContact OD1-N 3.02Å; R35-E37 HydrophobicContact CB-CG 4.05Å; R35-E37 IonicContact CZ-OE1 3.87Å; R35-E37 IonicContact CZ-OE2 2.77Å; R35-E37 IonicContact NH1-OE1 3.09Å; R35-E37 PolarHBondContact NH1-OE1 3.21Å; R35-E37 IonicContact NH1-OE2 3.11Å; R35-E37 PolarHBondContact NH1-OE2 3.39Å; R35-E37 IonicContact NH2-OE1 3.14Å; R35-E37 PolarHBondContact NH2-OE1 3.35Å; R35-E37 PolarHBondContact O-N 2.92Å; E37-T53 VanDerWaalsContact C-OG1 3.24Å; E37-T53 PolarHBondContact O-N 2.98Å; E37-T53 PolarHBondContact O-OG1 2.77Å |
| 38 | Y | 95.7 | Very high | 93.5 | Very high | 49 Ų | 49 | 36.4 Ų | 36.4 | 19% | 0.192 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 152.3 | -177 | -56.8 | -81.1 | 0 | 0 | 0 | 112.6 | D33 G36 V50 L51 K52 T53 V59 L104 | D33-Y38 PolarHBondContact N-O 3.41Å; D33-Y38 PolarHBondContact OD1-N 2.94Å; G36-Y38 VanDerWaalsContact C-N 3.34Å; Y38-V50 HydrophobicContact CD1-CG1 4.19Å; Y38-V50 HydrophobicContact CG-CG1 4.23Å; Y38-L51 CarbonylContact C-O 3.52Å; Y38-L51 VanDerWaalsContact CA-O 3.26Å; Y38-L51 WeakPolarHBondContact CA-O 3.46Å; Y38-K52 HydrophobicContact CD1-CG 4.41Å; Y38-K52 HydrophobicContact CE1-CG 4.21Å; Y38-T53 PolarHBondContact N-OG1 3.37Å; Y38-V59 HydrophobicContact CD1-CG2 3.73Å; Y38-V59 HydrophobicContact CE1-CB 4.49Å; Y38-V59 HydrophobicContact CE1-CG1 4.25Å; Y38-V59 HydrophobicContact CE1-CG2 3.79Å; Y38-L104 HydrophobicContact CD1-CD2 4.32Å; Y38-L104 HydrophobicContact CD2-CD1 4.28Å; Y38-L104 HydrophobicContact CE1-CD2 4.07Å; Y38-L104 HydrophobicContact CE2-CD1 3.76Å; Y38-L104 HydrophobicContact CE2-CD2 4.31Å |
| 39 | I | 96.4 | Very high | 93.7 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.8 | 174 | -56.7 | 166.5 | 0 | 0 | 0 | 108.3 | M7 L18 A30 F32 T41 L51 T53 | M7-I39 HydrophobicContact SD-CD1 3.59Å; M7-I39 VanDerWaalsContact SD-CD1 3.59Å; L18-I39 HydrophobicContact CD1-CD1 4.29Å; L18-I39 HydrophobicContact CD1-CG2 3.8Å; L18-I39 HydrophobicContact CD2-CD1 4.07Å; A30-I39 HydrophobicContact CB-CG2 4.4Å; F32-I39 HydrophobicContact CD1-CG1 3.67Å; F32-I39 HydrophobicContact CE1-CD1 3.79Å; F32-I39 HydrophobicContact CE1-CG1 3.45Å; F32-I39 VanDerWaalsContact CE1-CG1 3.45Å; F32-I39 HydrophobicContact CZ-CD1 4.37Å; F32-I39 HydrophobicContact CZ-CG1 4.31Å; I39-T41 HydrophobicContact CG2-CG2 4.01Å; I39-L51 HydrophobicContact CB-CB 4.4Å; I39-L51 PolarHBondContact N-O 2.88Å; I39-L51 PolarHBondContact O-N 2.8Å; I39-T53 HydrophobicContact CD1-CG2 4.47Å |
| 40 | Y | 97.1 | Very high | 93.8 | Very high | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 120.2 | 175.1 | -76.7 | -118.7 | 0 | 0 | 0 | 108.7 | A30 S31 D33 I48 L49 V50 F79 F86 I103 | A30-Y40 CarbonylContact C-O 3.56Å; A30-Y40 VanDerWaalsContact CA-O 3.25Å; A30-Y40 WeakPolarHBondContact CA-O 3.2Å; S31-Y40 PolarHBondContact N-O 2.62Å; S31-Y40 PolarHBondContact O-N 2.89Å; D33-Y40 HydrophobicContact CB-CE2 4.21Å; Y40-I48 HydrophobicContact CD1-CG2 4.27Å; Y40-L49 WeakPolarHBondContact CA-O 3.36Å; Y40-V50 HydrophobicContact CD1-CG2 3.76Å; Y40-V50 HydrophobicContact CD2-CG1 4.02Å; Y40-V50 HydrophobicContact CE1-CG1 4.31Å; Y40-V50 HydrophobicContact CE1-CG2 3.52Å; Y40-V50 HydrophobicContact CE2-CG1 3.61Å; Y40-V50 HydrophobicContact CE2-CG2 4.33Å; Y40-V50 HydrophobicContact CG-CG2 4.25Å; Y40-F79 AromaticContact CD1-CZ 3.96Å; Y40-F79 HydrophobicContact CD1-CZ 3.96Å; Y40-F79 HydrophobicContact CD2-CE1 4.26Å; Y40-F79 HydrophobicContact CD2-CE2 4.23Å; Y40-F79 AromaticContact CD2-CZ 3.44Å; Y40-F79 HydrophobicContact CD2-CZ 3.44Å; Y40-F79 VanDerWaalsContact CD2-CZ 3.44Å; Y40-F79 HydrophobicContact CE1-CZ 4.25Å; Y40-F79 HydrophobicContact CE2-CE1 4.14Å; Y40-F79 AromaticContact CE2-CZ 3.76Å; Y40-F79 HydrophobicContact CE2-CZ 3.76Å; Y40-F79 HydrophobicContact CG-CE2 4.21Å; Y40-F79 AromaticContact CG-CZ 3.56Å; Y40-F79 HydrophobicContact CG-CZ 3.56Å; Y40-F86 HydrophobicContact CD1-CE2 4.23Å; Y40-F86 HydrophobicContact CD1-CZ 4.19Å; Y40-F86 HydrophobicContact CE1-CE1 4.08Å; Y40-F86 HydrophobicContact CE1-CE2 4.36Å; Y40-F86 AromaticContact CE1-CZ 3.88Å; Y40-F86 HydrophobicContact CE1-CZ 3.88Å; Y40-I103 HydrophobicContact CE1-CD1 4.01Å; Y40-I103 HydrophobicContact CE1-CG2 4.49Å |
| 41 | T | 95.9 | Very high | 93.9 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.031 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.6 | 174.9 | 74.2 | 0 | 0 | 0 | 0 | 110.4 | L18 V29 A30 I39 I48 L49 L51 | L18-T41 HydrophobicContact CD1-CG2 4.16Å; V29-T41 CarbonylContact O-C 3.5Å; V29-T41 VanDerWaalsContact O-CA 3.25Å; V29-T41 WeakPolarHBondContact O-CA 3.24Å; A30-T41 HydrophobicContact CB-CG2 3.94Å; I39-T41 HydrophobicContact CG2-CG2 4.01Å; T41-I48 CarbonylContact O-C 3.5Å; T41-I48 WeakPolarHBondContact O-CA 3.4Å; T41-L49 PolarHBondContact N-O 2.95Å; T41-L49 PolarHBondContact O-N 2.91Å; T41-L49 WeakPolarHBondContact OG1-CB 3.46Å; T41-L51 HydrophobicContact CG2-CD1 4.29Å |
| 42 | G | 95.5 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.01 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 129.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V28 V29 K47 | V28-G42 CarbonylContact C-O 3.53Å; V28-G42 WeakPolarHBondContact CA-O 3.26Å; V29-G42 WeakPolarHBondContact CG1-O 3.3Å; V29-G42 PolarHBondContact N-O 3.31Å; V29-G42 PolarHBondContact O-N 2.99Å; G42-K47 WeakPolarHBondContact CA-O 3.14Å |
| 43 | N | 93.7 | Very high | 93.8 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.027 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 175.1 | -177.3 | 71.2 | 9.8 | 0 | 0 | 0 | 113.3 | D25 V28 K45 G46 K47 I74 | D25-N43 HydrophobicContact CB-CB 4.04Å; D25-N43 WeakPolarHBondContact OD2-CB 3.27Å; D25-N43 PolarHBondContact OD2-ND2 3.09Å; V28-N43 HydrophobicContact CG2-CB 4.38Å; N43-K45 PolarHBondContact O-N 2.88Å; N43-K45 VanDerWaalsContact OD1-C 3.23Å; N43-K45 WeakPolarHBondContact OD1-CA 3.29Å; N43-K45 PolarHBondContact OD1-N 3.19Å; N43-G46 PolarHBondContact O-N 3.24Å; N43-G46 PolarHBondContact OD1-N 3.41Å; N43-K47 PolarHBondContact N-O 2.92Å; N43-K47 WeakPolarHBondContact ND2-CB 3.13Å; N43-K47 PolarHBondContact OD1-N 3.41Å; N43-K47 PolarHBondContact OD1-O 2.77Å; N43-I74 WeakPolarHBondContact O-CG1 3.41Å; N43-I74 PolarHBondContact O-N 3.05Å |
| 44 | A | 92.1 | Very high | 93.7 | Very high | 40 Ų | 40 | 34 Ų | 34 | 33% | 0.331 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N27 A73 | N27-A44 HydrophobicContact CB-CB 4.37Å; N27-A44 PolarHBondContact O-N 3.29Å; A44-A73 HydrophobicContact CB-CB 4.28Å; A44-A73 WeakPolarHBondContact O-CA 3.21Å; A44-A73 VanDerWaalsContact O-CB 3.31Å; A44-A73 WeakPolarHBondContact O-CB 3.35Å |
| 45 | K | 91.9 | Very high | 93.8 | Very high | 60 Ų | 60 | 33.3 Ų | 33.3 | 26% | 0.261 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 8.1 | 177.3 | -59.9 | 176.6 | -177.2 | 134.2 | 0 | 112.7 | D22 S24 D25 N43 K47 R63 T71 T72 | D22-K45 IonicContact OD2-NZ 2.75Å; D22-K45 PolarHBondContact OD2-NZ 3.47Å; S24-K45 PolarHBondContact OG-NZ 2.87Å; D25-K45 WeakPolarHBondContact OD1-CD 3.05Å; D25-K45 VanDerWaalsContact OD1-CE 3.28Å; D25-K45 WeakPolarHBondContact OD1-CE 3.12Å; D25-K45 IonicContact OD1-NZ 3.66Å; D25-K45 PolarHBondContact OD1-NZ 2.87Å; N43-K45 PolarHBondContact O-N 2.88Å; N43-K45 VanDerWaalsContact OD1-C 3.23Å; N43-K45 WeakPolarHBondContact OD1-CA 3.29Å; N43-K45 PolarHBondContact OD1-N 3.19Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.17Å; K45-R63 PolarHBondContact O-NH1 3.02Å; K45-T71 WeakPolarHBondContact O-CB 3.46Å; K45-T71 VanDerWaalsContact O-CG2 3.31Å; K45-T71 WeakPolarHBondContact O-CG2 3.26Å; K45-T72 CarbonylContact C-O 3.57Å |
| 46 | G | 92.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.157 | C | C | . | . | S | Bend | trans | 76.4 | 11.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | N43 R63 V64 T72 | N43-G46 PolarHBondContact O-N 3.24Å; N43-G46 PolarHBondContact OD1-N 3.41Å; G46-R63 WeakPolarHBondContact O-CA 3.25Å; G46-V64 PolarHBondContact O-N 3.34Å; G46-T72 WeakPolarHBondContact CA-O 3.31Å; G46-T72 PolarHBondContact N-O 3.05Å |
| 47 | K | 94.4 | Very high | 94.2 | Very high | 20 Ų | 20 | 32.1 Ų | 32.1 | 9% | 0.087 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 133.5 | 169 | -170.8 | 84.9 | 174.4 | -179.8 | 0 | 108.7 | D21 G42 N43 K45 L49 R63 D109 | D21-K47 HydrophobicContact CB-CG 4.26Å; D21-K47 WeakPolarHBondContact OD2-CG 2.97Å; G42-K47 WeakPolarHBondContact CA-O 3.14Å; N43-K47 PolarHBondContact N-O 2.92Å; N43-K47 WeakPolarHBondContact ND2-CB 3.13Å; N43-K47 PolarHBondContact OD1-N 3.41Å; N43-K47 PolarHBondContact OD1-O 2.77Å; K45-K47 VanDerWaalsContact C-N 3.31Å; K45-K47 PolarHBondContact O-N 3.17Å; K47-L49 HydrophobicContact CG-CD2 4.12Å; K47-R63 HydrophobicContact CD-CB 4.4Å; K47-D109 IonicContact NZ-OD1 3.31Å; K47-D109 PolarHBondContact NZ-OD1 3.47Å |
| 48 | I | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133.9 | 171.2 | -55.9 | -62 | 0 | 0 | 0 | 108.4 | Y40 T41 S61 F62 V64 I74 I77 I88 | Y40-I48 HydrophobicContact CD1-CG2 4.27Å; T41-I48 CarbonylContact O-C 3.5Å; T41-I48 WeakPolarHBondContact O-CA 3.4Å; I48-S61 WeakPolarHBondContact O-CA 3.25Å; I48-F62 HydrophobicContact CB-CD1 3.93Å; I48-F62 HydrophobicContact CB-CE1 3.56Å; I48-F62 HydrophobicContact CB-CE2 4.27Å; I48-F62 HydrophobicContact CB-CG 4.42Å; I48-F62 HydrophobicContact CB-CZ 3.76Å; I48-F62 HydrophobicContact CG1-CE1 4.06Å; I48-F62 HydrophobicContact CG1-CE2 3.97Å; I48-F62 HydrophobicContact CG1-CZ 3.69Å; I48-F62 HydrophobicContact CG2-CD1 4.2Å; I48-F62 HydrophobicContact CG2-CE1 3.52Å; I48-F62 HydrophobicContact CG2-CZ 3.94Å; I48-F62 PolarHBondContact N-O 2.82Å; I48-F62 PolarHBondContact O-N 3.5Å; I48-V64 HydrophobicContact CG1-CG2 4.09Å; I48-I74 HydrophobicContact CD1-CD1 4.04Å; I48-I74 HydrophobicContact CD1-CG1 3.78Å; I48-I74 HydrophobicContact CD1-CG2 4.39Å; I48-I77 HydrophobicContact CD1-CD1 4.11Å; I48-I88 HydrophobicContact CD1-CD1 4.13Å; I48-I88 HydrophobicContact CG1-CD1 4.08Å |
| 49 | L | 96 | Very high | 94.5 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 6% | 0.058 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 137.2 | 169.6 | -51.4 | 177 | 0 | 0 | 0 | 108.8 | D21 Y40 T41 K47 L58 | D21-L49 HydrophobicContact CB-CD1 4.15Å; D21-L49 HydrophobicContact CB-CD2 4.37Å; Y40-L49 WeakPolarHBondContact CA-O 3.36Å; T41-L49 PolarHBondContact N-O 2.95Å; T41-L49 PolarHBondContact O-N 2.91Å; T41-L49 WeakPolarHBondContact OG1-CB 3.46Å; K47-L49 HydrophobicContact CG-CD2 4.12Å; L49-L58 HydrophobicContact CB-CD1 3.82Å; L49-L58 HydrophobicContact CD2-CD1 3.97Å; L49-L58 HydrophobicContact CG-CD1 4.38Å |
| 50 | V | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 115.7 | 173.5 | -171.7 | 0 | 0 | 0 | 0 | 107.3 | Y38 Y40 V59 A60 I103 L104 | Y38-V50 HydrophobicContact CD1-CG1 4.19Å; Y38-V50 HydrophobicContact CG-CG1 4.23Å; Y40-V50 HydrophobicContact CD1-CG2 3.76Å; Y40-V50 HydrophobicContact CD2-CG1 4.02Å; Y40-V50 HydrophobicContact CE1-CG1 4.31Å; Y40-V50 HydrophobicContact CE1-CG2 3.52Å; Y40-V50 HydrophobicContact CE2-CG1 3.61Å; Y40-V50 HydrophobicContact CE2-CG2 4.33Å; Y40-V50 HydrophobicContact CG-CG2 4.25Å; V50-V59 HydrophobicContact CB-CG2 3.94Å; V50-V59 HydrophobicContact CG1-CG2 3.63Å; V50-V59 VanDerWaalsContact O-CG2 3.27Å; V50-V59 WeakPolarHBondContact O-CG2 3.33Å; V50-V59 PolarHBondContact O-N 2.93Å; V50-A60 HydrophobicContact CB-CB 3.96Å; V50-A60 HydrophobicContact CG2-CB 3.99Å; V50-A60 PolarHBondContact N-O 2.92Å; V50-A60 PolarHBondContact O-N 3.31Å; V50-I103 HydrophobicContact CG2-CG2 3.85Å; V50-L104 HydrophobicContact CG1-CD2 4.19Å |
| 51 | L | 96 | Very high | 94.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 145.2 | -178.3 | -53 | 175.8 | 0 | 0 | 0 | 109.2 | L18 P19 Y38 I39 T41 D57 L58 | L18-L51 HydrophobicContact CB-CD1 4.05Å; L18-L51 HydrophobicContact CD2-CD1 4.2Å; L18-L51 HydrophobicContact CG-CD1 4.49Å; P19-L51 HydrophobicContact CG-CD1 3.71Å; P19-L51 HydrophobicContact CG-CD2 3.8Å; P19-L51 HydrophobicContact CG-CG 4.42Å; Y38-L51 CarbonylContact C-O 3.52Å; Y38-L51 VanDerWaalsContact CA-O 3.26Å; Y38-L51 WeakPolarHBondContact CA-O 3.46Å; I39-L51 HydrophobicContact CB-CB 4.4Å; I39-L51 PolarHBondContact N-O 2.88Å; I39-L51 PolarHBondContact O-N 2.8Å; T41-L51 HydrophobicContact CG2-CD1 4.29Å; L51-D57 CarbonylContact C-O 3.56Å; L51-D57 VanDerWaalsContact CA-O 3.3Å; L51-D57 WeakPolarHBondContact CA-O 3.4Å; L51-L58 HydrophobicContact CD2-CB 4.14Å; L51-L58 HydrophobicContact CD2-CD1 3.81Å |
| 52 | K | 95.4 | Very high | 94.5 | Very high | 77 Ų | 77 | 30.2 Ų | 30.2 | 34% | 0.335 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 134.6 | 169.4 | -151.4 | -176.1 | 172.9 | -136.7 | 0 | 110.1 | Y38 D54 Q56 D57 V59 | Y38-K52 HydrophobicContact CD1-CG 4.41Å; Y38-K52 HydrophobicContact CE1-CG 4.21Å; K52-D54 WeakPolarHBondContact CD-OD1 3.39Å; K52-D54 VanDerWaalsContact CE-OD1 3.23Å; K52-D54 WeakPolarHBondContact CE-OD1 3.38Å; K52-D54 WeakPolarHBondContact CG-OD1 3.26Å; K52-D54 IonicContact NZ-OD1 2.74Å; K52-D54 PolarHBondContact NZ-OD1 3.05Å; K52-D54 VanDerWaalsContact NZ-OD1 3.14Å; K52-D54 IonicContact NZ-OD2 2.7Å; K52-D54 PolarHBondContact NZ-OD2 2.78Å; K52-D54 PolarHBondContact O-N 2.86Å; K52-Q56 WeakPolarHBondContact O-CA 3.18Å; K52-Q56 PolarHBondContact O-N 2.87Å; K52-D57 PolarHBondContact N-O 2.9Å; K52-V59 HydrophobicContact CB-CG1 4.28Å |
| 53 | T | 92.9 | Very high | 94.4 | Very high | 31 Ų | 31 | 35.3 Ų | 35.3 | 19% | 0.19 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -40.8 | -173.3 | -65.3 | 0 | 0 | 0 | 0 | 113.2 | M7 F32 G36 E37 Y38 I39 Q56 | M7-T53 HydrophobicContact SD-CG2 4.36Å; F32-T53 HydrophobicContact CD1-CG2 4.45Å; F32-T53 HydrophobicContact CE1-CG2 3.82Å; G36-T53 VanDerWaalsContact O-CB 3.24Å; G36-T53 WeakPolarHBondContact O-CB 3.3Å; G36-T53 PolarHBondContact O-OG1 2.98Å; E37-T53 VanDerWaalsContact C-OG1 3.24Å; E37-T53 PolarHBondContact O-N 2.98Å; E37-T53 PolarHBondContact O-OG1 2.77Å; Y38-T53 PolarHBondContact N-OG1 3.37Å; I39-T53 HydrophobicContact CD1-CG2 4.47Å; T53-Q56 PolarHBondContact O-NE2 3Å |
| 54 | D | 90.5 | Very high | 94.4 | Very high | 104 Ų | 104 | 35.2 Ų | 35.2 | 56% | 0.556 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -49.4 | -175.3 | 58.5 | -16.2 | 0 | 0 | 0 | 113.2 | K52 Q56 | K52-D54 WeakPolarHBondContact CD-OD1 3.39Å; K52-D54 VanDerWaalsContact CE-OD1 3.23Å; K52-D54 WeakPolarHBondContact CE-OD1 3.38Å; K52-D54 WeakPolarHBondContact CG-OD1 3.26Å; K52-D54 IonicContact NZ-OD1 2.74Å; K52-D54 PolarHBondContact NZ-OD1 3.05Å; K52-D54 VanDerWaalsContact NZ-OD1 3.14Å; K52-D54 IonicContact NZ-OD2 2.7Å; K52-D54 PolarHBondContact NZ-OD2 2.78Å; K52-D54 PolarHBondContact O-N 2.86Å; D54-Q56 PolarHBondContact O-NE2 2.7Å |
| 55 | S | 91.9 | Very high | 94.2 | Very high | 44 Ų | 44 | 37.7 Ų | 37.7 | 31% | 0.308 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -11.7 | -174.4 | 66.8 | 0 | 0 | 0 | 0 | 115 | D57 | S55-D57 WeakPolarHBondContact CB-OD2 3.16Å; S55-D57 PolarHBondContact O-N 3.11Å; S55-D57 VanDerWaalsContact O-N 3.16Å; S55-D57 WeakPolarHBondContact OG-CB 3.06Å; S55-D57 PolarHBondContact OG-N 2.64Å; S55-D57 PolarHBondContact OG-OD2 2.85Å |
| 56 | Q | 91.8 | Very high | 93.8 | Very high | 46 Ų | 46 | 36.4 Ų | 36.4 | 22% | 0.215 | 19% | 0.191 | C | C | . | . | trans | 57.9 | 19 | -171.6 | -55.2 | 81.2 | 49.9 | 0 | 0 | 113.9 | M7 V16 L18 K52 T53 D54 | M7-Q56 VanDerWaalsContact CE-NE2 3.27Å; V16-Q56 HydrophobicContact CG1-CG 4.1Å; L18-Q56 HydrophobicContact CD2-CG 3.86Å; K52-Q56 WeakPolarHBondContact O-CA 3.18Å; K52-Q56 PolarHBondContact O-N 2.87Å; T53-Q56 PolarHBondContact O-NE2 3Å; D54-Q56 PolarHBondContact O-NE2 2.7Å | ||
| 57 | D | 94.1 | Very high | 93 | Very high | 93 Ų | 93 | 39.8 Ų | 39.8 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | trans | -69.5 | 135.8 | 176.2 | -69.2 | -43.4 | 0 | 0 | 0 | 110.7 | L51 K52 S55 V59 | L51-D57 CarbonylContact C-O 3.56Å; L51-D57 VanDerWaalsContact CA-O 3.3Å; L51-D57 WeakPolarHBondContact CA-O 3.4Å; K52-D57 PolarHBondContact N-O 2.9Å; S55-D57 WeakPolarHBondContact CB-OD2 3.16Å; S55-D57 PolarHBondContact O-N 3.11Å; S55-D57 VanDerWaalsContact O-N 3.16Å; S55-D57 WeakPolarHBondContact OG-CB 3.06Å; S55-D57 PolarHBondContact OG-N 2.64Å; S55-D57 PolarHBondContact OG-OD2 2.85Å; D57-V59 PolarHBondContact O-N 3.07Å | ||
| 58 | L | 95.6 | Very high | 92.1 | Very high | 51 Ų | 51 | 43.1 Ų | 43.1 | 27% | 0.267 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 112.6 | 172.7 | -176.8 | 67.6 | 0 | 0 | 0 | 110 | L49 L51 A60 R108 | L49-L58 HydrophobicContact CB-CD1 3.82Å; L49-L58 HydrophobicContact CD2-CD1 3.97Å; L49-L58 HydrophobicContact CG-CD1 4.38Å; L51-L58 HydrophobicContact CD2-CB 4.14Å; L51-L58 HydrophobicContact CD2-CD1 3.81Å; L58-A60 VanDerWaalsContact CD1-O 3.29Å; L58-A60 WeakPolarHBondContact CD1-O 3.48Å; L58-R108 HydrophobicContact CG-CG 4.47Å; L58-R108 PolarHBondContact O-NE 3.04Å; L58-R108 PolarHBondContact O-NH2 2.83Å |
| 59 | V | 96.4 | Very high | 91.3 | Very high | 46 Ų | 46 | 49 Ų | 49 | 28% | 0.279 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -36.3 | 178.9 | -63.4 | 0 | 0 | 0 | 0 | 112.2 | Y38 V50 K52 D57 L104 | Y38-V59 HydrophobicContact CD1-CG2 3.73Å; Y38-V59 HydrophobicContact CE1-CB 4.49Å; Y38-V59 HydrophobicContact CE1-CG1 4.25Å; Y38-V59 HydrophobicContact CE1-CG2 3.79Å; V50-V59 HydrophobicContact CB-CG2 3.94Å; V50-V59 HydrophobicContact CG1-CG2 3.63Å; V50-V59 VanDerWaalsContact O-CG2 3.27Å; V50-V59 WeakPolarHBondContact O-CG2 3.33Å; V50-V59 PolarHBondContact O-N 2.93Å; K52-V59 HydrophobicContact CB-CG1 4.28Å; D57-V59 PolarHBondContact O-N 3.07Å; V59-L104 HydrophobicContact CG2-CD2 3.89Å |
| 60 | A | 96.8 | Very high | 90.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 154.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | V50 L58 I103 G107 | V50-A60 HydrophobicContact CB-CB 3.96Å; V50-A60 HydrophobicContact CG2-CB 3.99Å; V50-A60 PolarHBondContact N-O 2.92Å; V50-A60 PolarHBondContact O-N 3.31Å; L58-A60 VanDerWaalsContact CD1-O 3.29Å; L58-A60 WeakPolarHBondContact CD1-O 3.48Å; A60-I103 HydrophobicContact CB-CG2 3.95Å; A60-G107 VanDerWaalsContact CA-O 3.26Å; A60-G107 WeakPolarHBondContact CA-O 3.47Å; A60-G107 VanDerWaalsContact CB-O 3.3Å; A60-G107 WeakPolarHBondContact CB-O 3.33Å |
| 61 | S | 96.6 | Very high | 90.6 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.014 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 142.8 | 175.1 | 58 | 0 | 0 | 0 | 0 | 109.4 | I48 G107 D109 G110 | I48-S61 WeakPolarHBondContact O-CA 3.25Å; S61-G107 PolarHBondContact N-O 2.87Å; S61-G107 VanDerWaalsContact N-O 3.15Å; S61-D109 CarbonylContact O-C 3.58Å; S61-D109 WeakPolarHBondContact O-CA 3.19Å; S61-D109 PolarHBondContact O-N 3.22Å; S61-D109 PolarHBondContact OG-N 3.3Å; S61-D109 PolarHBondContact OG-OD1 2.93Å; S61-D109 VanDerWaalsContact OG-OD1 3.14Å; S61-G110 PolarHBondContact O-N 2.87Å |
| 62 | F | 95.9 | Very high | 90.5 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 1% | 0.013 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 164.6 | 175.2 | 67.6 | -81.8 | 0 | 0 | 0 | 110.6 | I48 V64 I88 Y98 I103 G110 P112 | I48-F62 HydrophobicContact CB-CD1 3.93Å; I48-F62 HydrophobicContact CB-CE1 3.56Å; I48-F62 HydrophobicContact CB-CE2 4.27Å; I48-F62 HydrophobicContact CB-CG 4.42Å; I48-F62 HydrophobicContact CB-CZ 3.76Å; I48-F62 HydrophobicContact CG1-CE1 4.06Å; I48-F62 HydrophobicContact CG1-CE2 3.97Å; I48-F62 HydrophobicContact CG1-CZ 3.69Å; I48-F62 HydrophobicContact CG2-CD1 4.2Å; I48-F62 HydrophobicContact CG2-CE1 3.52Å; I48-F62 HydrophobicContact CG2-CZ 3.94Å; I48-F62 PolarHBondContact N-O 2.82Å; I48-F62 PolarHBondContact O-N 3.5Å; F62-V64 HydrophobicContact CE2-CG2 4.06Å; F62-I88 HydrophobicContact CE2-CD1 4.47Å; F62-I88 HydrophobicContact CZ-CD1 4.12Å; F62-Y98 HydrophobicContact CE2-CE1 4.33Å; F62-Y98 HydrophobicContact CE2-CE2 4.49Å; F62-I103 HydrophobicContact CD1-CG2 4.01Å; F62-I103 HydrophobicContact CE1-CD1 3.9Å; F62-I103 HydrophobicContact CE1-CG1 4.2Å; F62-I103 HydrophobicContact CE1-CG2 3.86Å; F62-I103 HydrophobicContact CZ-CD1 4.13Å; F62-G110 WeakPolarHBondContact CB-O 3.02Å; F62-P112 VanDerWaalsContact CB-CD 3.48Å; F62-P112 HydrophobicContact CB-CG 3.92Å; F62-P112 HydrophobicContact CD1-CG 3.91Å; F62-P112 HydrophobicContact CD2-CG 3.5Å; F62-P112 VanDerWaalsContact CD2-CG 3.5Å; F62-P112 HydrophobicContact CE1-CG 4.25Å; F62-P112 HydrophobicContact CE2-CG 3.87Å; F62-P112 HydrophobicContact CG-CG 3.52Å; F62-P112 HydrophobicContact CZ-CG 4.23Å |
| 63 | R | 94.4 | Very high | 90.5 | Very high | 107 Ų | 107 | 56 Ų | 56 | 40% | 0.404 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131 | 172.8 | -172.6 | 177.6 | -66.7 | -92.4 | 1.1 | 109 | K45 G46 K47 T65 | K45-R63 PolarHBondContact O-NH1 3.02Å; G46-R63 WeakPolarHBondContact O-CA 3.25Å; K47-R63 HydrophobicContact CD-CB 4.4Å; R63-T65 PolarHBondContact O-N 3.12Å |
| 64 | V | 94.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | trans | -65.3 | 121.4 | 178.9 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | G46 I48 F62 T72 I74 I88 R96 | G46-V64 PolarHBondContact O-N 3.34Å; I48-V64 HydrophobicContact CG1-CG2 4.09Å; F62-V64 HydrophobicContact CE2-CG2 4.06Å; V64-T72 HydrophobicContact CG1-CG2 4.28Å; V64-I74 HydrophobicContact CG2-CD1 3.92Å; V64-I88 HydrophobicContact CG2-CD1 4.22Å; V64-R96 VanDerWaalsContact CG1-NE 3.28Å | ||
| 65 | T | 87.4 | Confident | 90.8 | Very high | 91 Ų | 91 | 54.6 Ų | 54.6 | 56% | 0.558 | 33% | 0.325 | S | S | * | . | trans | -78.3 | 127.5 | 178.2 | -52.4 | 0 | 0 | 0 | 0 | 111.4 | R63 R96 | R63-T65 PolarHBondContact O-N 3.12Å; T65-R96 PolarHBondContact O-NE 2.81Å; T65-R96 PolarHBondContact O-NH2 2.99Å | ||
| 66 | T | 82.8 | Confident | 91.1 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 20% | 0.202 | 32% | 0.316 | C | S | . | . | trans | -98.3 | 3.8 | 179 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | T68 N70 T72 | T66-T68 PolarHBondContact O-N 2.66Å; T66-T68 PolarHBondContact OG1-N 3.41Å; T66-T68 PolarHBondContact OG1-O 2.71Å; T66-T68 PolarHBondContact OG1-OG1 2.69Å; T66-N70 VanDerWaalsContact CG2-O 3.27Å; T66-N70 WeakPolarHBondContact CG2-O 3.39Å; T66-N70 PolarHBondContact OG1-O 3.48Å; T66-T72 HydrophobicContact CG2-CG2 3.57Å | ||
| 67 | G | 76.3 | Confident | 91.3 | Very high | 71 Ų | 71 | 51.4 Ų | 51.4 | 73% | 0.732 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 76.8 | -6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 68 | T | 77.1 | Confident | 91.5 | Very high | 90 Ų | 90 | 49.7 Ų | 49.7 | 55% | 0.552 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -127.5 | 174.5 | 169.8 | 65.3 | 0 | 0 | 0 | 0 | 108.9 | T66 N70 | T66-T68 PolarHBondContact O-N 2.66Å; T66-T68 PolarHBondContact OG1-N 3.41Å; T66-T68 PolarHBondContact OG1-O 2.71Å; T66-T68 PolarHBondContact OG1-OG1 2.69Å; T68-N70 PolarHBondContact O-N 2.87Å; T68-N70 PolarHBondContact OG1-N 2.97Å |
| 69 | S | 78.9 | Confident | 91.5 | Very high | 123 Ų | 123 | 48.6 Ų | 48.6 | 86% | 0.86 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -70.3 | -3.4 | 173.2 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 70 | N | 86.7 | Confident | 91.4 | Very high | 117 Ų | 117 | 46.5 Ų | 46.5 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | trans | -78 | 148.7 | -179.9 | -74.4 | -30.3 | 0 | 0 | 0 | 112.5 | T66 T68 | T66-N70 VanDerWaalsContact CG2-O 3.27Å; T66-N70 WeakPolarHBondContact CG2-O 3.39Å; T66-N70 PolarHBondContact OG1-O 3.48Å; T68-N70 PolarHBondContact O-N 2.87Å; T68-N70 PolarHBondContact OG1-N 2.97Å | ||
| 71 | T | 91 | Very high | 90.9 | Very high | 77 Ų | 77 | 54.1 Ų | 54.1 | 47% | 0.472 | 31% | 0.306 | S | S | . | . | trans | -90.4 | 158.8 | 174.2 | 57.9 | 0 | 0 | 0 | 0 | 111.4 | K45 | K45-T71 WeakPolarHBondContact O-CB 3.46Å; K45-T71 VanDerWaalsContact O-CG2 3.31Å; K45-T71 WeakPolarHBondContact O-CG2 3.26Å | ||
| 72 | T | 94 | Very high | 90.4 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | trans | -131.9 | 140.4 | 175.9 | -174.5 | 0 | 0 | 0 | 0 | 109.9 | K45 G46 V64 T66 T90 A91 D92 | K45-T72 CarbonylContact C-O 3.57Å; G46-T72 WeakPolarHBondContact CA-O 3.31Å; G46-T72 PolarHBondContact N-O 3.05Å; V64-T72 HydrophobicContact CG1-CG2 4.28Å; T66-T72 HydrophobicContact CG2-CG2 3.57Å; T72-T90 HydrophobicContact CG2-CG2 3.88Å; T72-A91 PolarHBondContact OG1-N 3.05Å; T72-D92 PolarHBondContact OG1-N 3.48Å; T72-D92 VanDerWaalsContact OG1-N 3.13Å | ||
| 73 | A | 94.3 | Very high | 89.9 | Confident | 32 Ų | 32 | 59.2 Ų | 59.2 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | trans | -73.2 | 134.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | A44 T90 A91 | A44-A73 HydrophobicContact CB-CB 4.28Å; A44-A73 WeakPolarHBondContact O-CA 3.21Å; A44-A73 VanDerWaalsContact O-CB 3.31Å; A44-A73 WeakPolarHBondContact O-CB 3.35Å; A73-T90 CarbonylContact O-C 3.37Å; A73-T90 WeakPolarHBondContact O-CA 3.45Å; A73-A91 HydrophobicContact CB-CB 4.02Å; A73-A91 PolarHBondContact O-N 2.89Å | ||
| 74 | I | 96.2 | Very high | 89.7 | Confident | 15 Ų | 15 | 55.4 Ų | 55.4 | 8% | 0.077 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 125.5 | 171.7 | -48.9 | -52.4 | 0 | 0 | 0 | 108.6 | V29 N43 I48 V64 I77 I88 T90 | V29-I74 HydrophobicContact CG1-CB 4.17Å; V29-I74 HydrophobicContact CG1-CG2 3.62Å; N43-I74 WeakPolarHBondContact O-CG1 3.41Å; N43-I74 PolarHBondContact O-N 3.05Å; I48-I74 HydrophobicContact CD1-CD1 4.04Å; I48-I74 HydrophobicContact CD1-CG1 3.78Å; I48-I74 HydrophobicContact CD1-CG2 4.39Å; V64-I74 HydrophobicContact CG2-CD1 3.92Å; I74-I77 HydrophobicContact CG2-CD1 4.33Å; I74-I77 HydrophobicContact CG2-CG1 3.91Å; I74-I88 HydrophobicContact CD1-CG2 3.78Å; I74-I88 HydrophobicContact CG2-CG2 3.77Å; I74-T90 HydrophobicContact CD1-CG2 3.56Å |
| 75 | K | 95.4 | Very high | 89.8 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 40% | 0.396 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -42.9 | -179.9 | -60.8 | 179.8 | 63.6 | -178.6 | 0 | 112.2 | N89 W127 | K75-N89 WeakPolarHBondContact CA-O 3.43Å; K75-N89 VanDerWaalsContact CB-O 3.32Å; K75-N89 WeakPolarHBondContact CB-O 3.34Å; K75-N89 PolarHBondContact N-O 3.35Å; K75-W127 PolarHBondContact NZ-O 3.2Å |
| 76 | S | 96.4 | Very high | 90.3 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 13% | 0.126 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 152.7 | 177.9 | 63.4 | 0 | 0 | 0 | 0 | 111.1 | N89 | S76-N89 PolarHBondContact N-O 3.14Å; S76-N89 PolarHBondContact O-N 3.15Å; S76-N89 VanDerWaalsContact OG-CB 3.3Å; S76-N89 WeakPolarHBondContact OG-CB 3.37Å |
| 77 | I | 97.7 | Very high | 91 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.9 | 174.1 | -56.7 | 173.1 | 0 | 0 | 0 | 106.2 | V29 I48 I74 F79 F86 L87 | V29-I77 HydrophobicContact CG1-CD1 4.12Å; V29-I77 HydrophobicContact CG1-CG1 4.11Å; I48-I77 HydrophobicContact CD1-CD1 4.11Å; I74-I77 HydrophobicContact CG2-CD1 4.33Å; I74-I77 HydrophobicContact CG2-CG1 3.91Å; I77-F79 HydrophobicContact CG2-CD2 4.46Å; I77-F79 HydrophobicContact CG2-CE2 3.81Å; I77-F79 HydrophobicContact CG2-CZ 4.43Å; I77-F86 HydrophobicContact CG2-CD2 3.91Å; I77-F86 HydrophobicContact CG2-CE2 4.31Å; I77-L87 WeakPolarHBondContact CA-O 3.15Å |
| 78 | E | 97.4 | Very high | 92 | Very high | 57 Ų | 57 | 46.3 Ų | 46.3 | 27% | 0.266 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 134.8 | -176.4 | -66.4 | -77.5 | 177.8 | 0 | 0 | 109 | F86 L87 K129 F132 | E78-F86 CarbonylContact O-C 3.47Å; E78-F86 WeakPolarHBondContact O-CA 3.44Å; E78-F86 VanDerWaalsContact O-CB 3.31Å; E78-F86 WeakPolarHBondContact O-CB 3.47Å; E78-L87 HydrophobicContact CB-CD1 3.82Å; E78-L87 HydrophobicContact CB-CG 3.98Å; E78-L87 HydrophobicContact CG-CD1 4.23Å; E78-L87 PolarHBondContact N-O 2.83Å; E78-L87 PolarHBondContact O-N 2.92Å; E78-K129 WeakPolarHBondContact OE1-CE 3.4Å; E78-F132 WeakPolarHBondContact O-CE2 3.28Å |
| 79 | F | 96.1 | Very high | 93 | Very high | 28 Ų | 28 | 42.1 Ų | 42.1 | 12% | 0.123 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 146.4 | -179.3 | -77 | -95.3 | 0 | 0 | 0 | 111.1 | F32 D33 Y40 I77 F86 | F32-F79 WeakPolarHBondContact O-CD2 3.03Å; F32-F79 WeakPolarHBondContact O-CE2 3.45Å; D33-F79 HydrophobicContact CB-CD1 4.06Å; D33-F79 HydrophobicContact CB-CE1 3.73Å; D33-F79 HydrophobicContact CB-CZ 4.08Å; Y40-F79 AromaticContact CD1-CZ 3.96Å; Y40-F79 HydrophobicContact CD1-CZ 3.96Å; Y40-F79 HydrophobicContact CD2-CE1 4.26Å; Y40-F79 HydrophobicContact CD2-CE2 4.23Å; Y40-F79 AromaticContact CD2-CZ 3.44Å; Y40-F79 HydrophobicContact CD2-CZ 3.44Å; Y40-F79 VanDerWaalsContact CD2-CZ 3.44Å; Y40-F79 HydrophobicContact CE1-CZ 4.25Å; Y40-F79 HydrophobicContact CE2-CE1 4.14Å; Y40-F79 AromaticContact CE2-CZ 3.76Å; Y40-F79 HydrophobicContact CE2-CZ 3.76Å; Y40-F79 HydrophobicContact CG-CE2 4.21Å; Y40-F79 AromaticContact CG-CZ 3.56Å; Y40-F79 HydrophobicContact CG-CZ 3.56Å; I77-F79 HydrophobicContact CG2-CD2 4.46Å; I77-F79 HydrophobicContact CG2-CE2 3.81Å; I77-F79 HydrophobicContact CG2-CZ 4.43Å; F79-F86 HydrophobicContact CB-CB 4.36Å; F79-F86 HydrophobicContact CD1-CB 3.39Å; F79-F86 HydrophobicContact CD1-CG 4.08Å; F79-F86 HydrophobicContact CD2-CB 4.3Å; F79-F86 HydrophobicContact CE1-CB 3.54Å; F79-F86 AromaticContact CE1-CD1 3.94Å; F79-F86 HydrophobicContact CE1-CD1 3.94Å; F79-F86 HydrophobicContact CE1-CD2 4.35Å; F79-F86 AromaticContact CE1-CG 3.68Å; F79-F86 HydrophobicContact CE1-CG 3.68Å; F79-F86 HydrophobicContact CE2-CB 4.42Å; F79-F86 HydrophobicContact CG-CB 3.78Å; F79-F86 HydrophobicContact CZ-CB 4.04Å; F79-F86 HydrophobicContact CZ-CD1 4.44Å; F79-F86 HydrophobicContact CZ-CD2 4.16Å; F79-F86 AromaticContact CZ-CG 3.95Å; F79-F86 HydrophobicContact CZ-CG 3.95Å |
| 80 | A | 93.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 2% | 0.017 | 19% | 0.188 | C | C | . | . | trans | -68.7 | 145.9 | 168 | 0 | 0 | 0 | 0 | 0 | 109.7 | K82 C85 F132 | A80-K82 WeakPolarHBondContact CB-O 3.24Å; A80-K82 PolarHBondContact O-N 3.33Å; A80-C85 HydrophobicContact CB-CB 4.44Å; A80-C85 VanDerWaalsContact CB-O 3.25Å; A80-C85 WeakPolarHBondContact CB-O 3.43Å; A80-C85 PolarHBondContact N-O 2.84Å; A80-F132 HydrophobicContact CB-CB 4.37Å; A80-F132 HydrophobicContact CB-CD1 4.03Å; A80-F132 HydrophobicContact CB-CD2 3.99Å; A80-F132 HydrophobicContact CB-CE1 4.29Å; A80-F132 HydrophobicContact CB-CE2 4.25Å; A80-F132 HydrophobicContact CB-CG 3.87Å; A80-F132 HydrophobicContact CB-CZ 4.39Å | ||
| 81 | R | 86.8 | Confident | 94.3 | Very high | 160 Ų | 160 | 33.4 Ų | 33.4 | 60% | 0.604 | 18% | 0.18 | S | C | * | . | S | Bend | trans | -75.6 | -15.5 | 175.5 | -66.1 | -174.3 | -178.4 | -130.4 | 4.7 | 112.9 | R34 P178 | R34-R81 WeakPolarHBondContact CD-O 3.49Å; R81-P178 VanDerWaalsContact NH1-CB 3.34Å |
| 82 | K | 85.2 | Confident | 94.5 | Very high | 88 Ų | 88 | 31.8 Ų | 31.8 | 38% | 0.383 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -126.3 | 135.6 | 178.3 | -170.7 | 173.4 | -177.1 | 171.1 | 0 | 109.7 | A80 D135 | A80-K82 WeakPolarHBondContact CB-O 3.24Å; A80-K82 PolarHBondContact O-N 3.33Å; K82-D135 WeakPolarHBondContact CB-O 3.34Å |
| 83 | G | 86.3 | Confident | 94.5 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 25% | 0.247 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 71.3 | -154.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | R34 S261 | R34-G83 VanDerWaalsContact CD-O 3.24Å; R34-G83 WeakPolarHBondContact CD-O 3.48Å; R34-G83 PolarHBondContact NE-O 3.14Å; G83-S261 PolarHBondContact N-OG 3.33Å |
| 84 | S | 90.8 | Very high | 94.7 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 19% | 0.189 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -119.1 | 8.9 | -174.2 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | D99 G100 R101 | S84-D99 WeakPolarHBondContact CB-OD1 3.4Å; S84-D99 PolarHBondContact OG-OD1 2.76Å; S84-D99 PolarHBondContact OG-OD2 2.85Å; S84-G100 PolarHBondContact O-N 2.78Å; S84-R101 PolarHBondContact OG-NE 2.92Å; S84-R101 PolarHBondContact OG-NH2 2.81Å |
| 85 | C | 95.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 6% | 0.061 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 146.5 | 178.3 | -61.7 | 0 | 0 | 0 | 0 | 111 | A80 Y98 K154 | A80-C85 HydrophobicContact CB-CB 4.44Å; A80-C85 VanDerWaalsContact CB-O 3.25Å; A80-C85 WeakPolarHBondContact CB-O 3.43Å; A80-C85 PolarHBondContact N-O 2.84Å; C85-Y98 WeakPolarHBondContact CA-O 3.47Å; C85-K154 WeakPolarHBondContact SG-CE 3.03Å; C85-K154 PolarHBondContact SG-NZ 2.89Å |
| 86 | F | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 164 | 174.3 | 75 | -78.1 | 0 | 0 | 0 | 110 | Y40 I77 E78 F79 I88 V97 Y98 I103 | Y40-F86 HydrophobicContact CD1-CE2 4.23Å; Y40-F86 HydrophobicContact CD1-CZ 4.19Å; Y40-F86 HydrophobicContact CE1-CE1 4.08Å; Y40-F86 HydrophobicContact CE1-CE2 4.36Å; Y40-F86 AromaticContact CE1-CZ 3.88Å; Y40-F86 HydrophobicContact CE1-CZ 3.88Å; I77-F86 HydrophobicContact CG2-CD2 3.91Å; I77-F86 HydrophobicContact CG2-CE2 4.31Å; E78-F86 CarbonylContact O-C 3.47Å; E78-F86 WeakPolarHBondContact O-CA 3.44Å; E78-F86 VanDerWaalsContact O-CB 3.31Å; E78-F86 WeakPolarHBondContact O-CB 3.47Å; F79-F86 HydrophobicContact CB-CB 4.36Å; F79-F86 HydrophobicContact CD1-CB 3.39Å; F79-F86 HydrophobicContact CD1-CG 4.08Å; F79-F86 HydrophobicContact CD2-CB 4.3Å; F79-F86 HydrophobicContact CE1-CB 3.54Å; F79-F86 AromaticContact CE1-CD1 3.94Å; F79-F86 HydrophobicContact CE1-CD1 3.94Å; F79-F86 HydrophobicContact CE1-CD2 4.35Å; F79-F86 AromaticContact CE1-CG 3.68Å; F79-F86 HydrophobicContact CE1-CG 3.68Å; F79-F86 HydrophobicContact CE2-CB 4.42Å; F79-F86 HydrophobicContact CG-CB 3.78Å; F79-F86 HydrophobicContact CZ-CB 4.04Å; F79-F86 HydrophobicContact CZ-CD1 4.44Å; F79-F86 HydrophobicContact CZ-CD2 4.16Å; F79-F86 AromaticContact CZ-CG 3.95Å; F79-F86 HydrophobicContact CZ-CG 3.95Å; F86-I88 HydrophobicContact CD2-CG1 4.16Å; F86-I88 HydrophobicContact CE2-CD1 3.82Å; F86-I88 HydrophobicContact CE2-CG1 3.62Å; F86-I88 HydrophobicContact CZ-CD1 4.42Å; F86-V97 WeakPolarHBondContact O-CA 3.31Å; F86-Y98 HydrophobicContact CE1-CG 4.44Å; F86-Y98 HydrophobicContact CE2-CD2 4.5Å; F86-Y98 HydrophobicContact CZ-CD2 4.22Å; F86-Y98 HydrophobicContact CZ-CG 4.14Å; F86-Y98 PolarHBondContact N-O 3.02Å; F86-Y98 PolarHBondContact O-N 3.09Å; F86-I103 HydrophobicContact CE1-CD1 3.16Å; F86-I103 HydrophobicContact CE2-CD1 4.48Å; F86-I103 HydrophobicContact CZ-CD1 3.14Å |
| 87 | L | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 150.1 | -179.3 | 66.2 | 81.6 | 0 | 0 | 0 | 111.4 | I77 E78 I95 R96 V97 C130 F132 I139 | I77-L87 WeakPolarHBondContact CA-O 3.15Å; E78-L87 HydrophobicContact CB-CD1 3.82Å; E78-L87 HydrophobicContact CB-CG 3.98Å; E78-L87 HydrophobicContact CG-CD1 4.23Å; E78-L87 PolarHBondContact N-O 2.83Å; E78-L87 PolarHBondContact O-N 2.92Å; L87-I95 HydrophobicContact CB-CG2 4.03Å; L87-I95 HydrophobicContact CD1-CG2 4.31Å; L87-R96 CarbonylContact C-O 3.59Å; L87-R96 VanDerWaalsContact CA-O 3.31Å; L87-R96 WeakPolarHBondContact CA-O 3.46Å; L87-V97 HydrophobicContact CB-CG2 4.44Å; L87-C130 HydrophobicContact CD1-CB 3.83Å; L87-C130 HydrophobicContact CD2-CB 4.2Å; L87-F132 HydrophobicContact CB-CE2 3.86Å; L87-F132 HydrophobicContact CB-CZ 3.88Å; L87-F132 HydrophobicContact CD2-CD2 3.84Å; L87-F132 HydrophobicContact CD2-CE1 4.48Å; L87-F132 HydrophobicContact CD2-CE2 3.51Å; L87-F132 HydrophobicContact CD2-CG 4.46Å; L87-F132 HydrophobicContact CD2-CZ 3.87Å; L87-F132 HydrophobicContact CG-CD2 4.24Å; L87-F132 HydrophobicContact CG-CE2 3.56Å; L87-F132 HydrophobicContact CG-CZ 4.05Å; L87-I139 HydrophobicContact CD2-CD1 4.41Å; L87-I139 HydrophobicContact CD2-CG1 4.37Å; L87-I139 HydrophobicContact CD2-CG2 3.72Å |
| 88 | I | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 118.3 | 175.3 | -52.7 | -175 | 0 | 0 | 0 | 107.6 | I48 F62 V64 I74 F86 T90 I95 R96 Y98 | I48-I88 HydrophobicContact CD1-CD1 4.13Å; I48-I88 HydrophobicContact CG1-CD1 4.08Å; F62-I88 HydrophobicContact CE2-CD1 4.47Å; F62-I88 HydrophobicContact CZ-CD1 4.12Å; V64-I88 HydrophobicContact CG2-CD1 4.22Å; I74-I88 HydrophobicContact CD1-CG2 3.78Å; I74-I88 HydrophobicContact CG2-CG2 3.77Å; F86-I88 HydrophobicContact CD2-CG1 4.16Å; F86-I88 HydrophobicContact CE2-CD1 3.82Å; F86-I88 HydrophobicContact CE2-CG1 3.62Å; F86-I88 HydrophobicContact CZ-CD1 4.42Å; I88-T90 HydrophobicContact CG2-CG2 3.72Å; I88-I95 WeakPolarHBondContact O-CA 3.25Å; I88-R96 PolarHBondContact N-O 2.99Å; I88-R96 PolarHBondContact O-N 3.14Å; I88-Y98 HydrophobicContact CD1-CD2 3.82Å; I88-Y98 HydrophobicContact CD1-CE2 3.68Å; I88-Y98 HydrophobicContact CG1-CD2 4.11Å; I88-Y98 HydrophobicContact CG1-CE2 4.23Å |
| 89 | N | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 117.5 | 172.8 | 179.5 | 11.2 | 0 | 0 | 0 | 109.2 | K75 S76 W127 | K75-N89 WeakPolarHBondContact CA-O 3.43Å; K75-N89 VanDerWaalsContact CB-O 3.32Å; K75-N89 WeakPolarHBondContact CB-O 3.34Å; K75-N89 PolarHBondContact N-O 3.35Å; S76-N89 PolarHBondContact N-O 3.14Å; S76-N89 PolarHBondContact O-N 3.15Å; S76-N89 VanDerWaalsContact OG-CB 3.3Å; S76-N89 WeakPolarHBondContact OG-CB 3.37Å; N89-W127 PolarHBondContact ND2-O 2.69Å |
| 90 | T | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 160.4 | -175.9 | 48.9 | 0 | 0 | 0 | 0 | 113.1 | T72 A73 I74 I88 D92 R93 I94 R96 | T72-T90 HydrophobicContact CG2-CG2 3.88Å; A73-T90 CarbonylContact O-C 3.37Å; A73-T90 WeakPolarHBondContact O-CA 3.45Å; I74-T90 HydrophobicContact CD1-CG2 3.56Å; I88-T90 HydrophobicContact CG2-CG2 3.72Å; T90-D92 VanDerWaalsContact CB-OD1 3.31Å; T90-D92 WeakPolarHBondContact CB-OD1 3.08Å; T90-D92 PolarHBondContact O-N 2.92Å; T90-D92 PolarHBondContact OG1-OD1 3.35Å; T90-R93 PolarHBondContact O-N 2.79Å; T90-I94 PolarHBondContact OG1-O 2.67Å; T90-R96 PolarHBondContact OG1-NH1 3.49Å |
| 91 | A | 95.4 | Very high | 94.7 | Very high | 56 Ų | 56 | 34.9 Ų | 34.9 | 46% | 0.463 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -18 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T72 A73 R93 | T72-A91 PolarHBondContact OG1-N 3.05Å; A73-A91 HydrophobicContact CB-CB 4.02Å; A73-A91 PolarHBondContact O-N 2.89Å; A91-R93 PolarHBondContact O-N 3.19Å |
| 92 | D | 94.9 | Very high | 95.1 | Very high | 44 Ų | 44 | 30.8 Ų | 30.8 | 24% | 0.235 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 3.7 | 173.9 | 67.5 | -9.9 | 0 | 0 | 0 | 113.6 | T72 T90 I94 R96 | T72-D92 PolarHBondContact OG1-N 3.48Å; T72-D92 VanDerWaalsContact OG1-N 3.13Å; T90-D92 VanDerWaalsContact CB-OD1 3.31Å; T90-D92 WeakPolarHBondContact CB-OD1 3.08Å; T90-D92 PolarHBondContact O-N 2.92Å; T90-D92 PolarHBondContact OG1-OD1 3.35Å; D92-I94 VanDerWaalsContact C-N 3.26Å; D92-I94 PolarHBondContact O-N 2.91Å; D92-I94 PolarHBondContact OD1-N 2.95Å; D92-R96 IonicContact OD1-NH1 2.69Å; D92-R96 PolarHBondContact OD1-NH1 3.24Å; D92-R96 IonicContact OD2-CZ 3.6Å; D92-R96 VanDerWaalsContact OD2-CZ 3.29Å; D92-R96 IonicContact OD2-NH1 2.69Å; D92-R96 PolarHBondContact OD2-NH1 3.04Å; D92-R96 IonicContact OD2-NH2 3.57Å; D92-R96 PolarHBondContact OD2-NH2 2.51Å |
| 93 | R | 95.8 | Very high | 95.6 | Very high | 100 Ų | 100 | 26.7 Ų | 26.7 | 38% | 0.377 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 73.1 | 15 | 174.7 | -39.2 | 178 | -161.2 | 166.4 | 7.4 | 114.1 | T90 A91 R124 P126 W127 | T90-R93 PolarHBondContact O-N 2.79Å; A91-R93 PolarHBondContact O-N 3.19Å; R93-R124 WeakPolarHBondContact CD-O 3.42Å; R93-R124 PolarHBondContact NH1-O 2.8Å; R93-P126 HydrophobicContact CG-CB 4.17Å; R93-W127 PolarHBondContact O-NE1 2.99Å |
| 94 | I | 96.7 | Very high | 96 | Very high | 27 Ų | 27 | 28.5 Ų | 28.5 | 14% | 0.138 | 14% | 0.141 | C | C | . | . | trans | -108.8 | 129.5 | 176.1 | -56.3 | 174.2 | 0 | 0 | 0 | 107.7 | T90 D92 R96 K117 L118 Q119 | T90-I94 PolarHBondContact OG1-O 2.67Å; D92-I94 VanDerWaalsContact C-N 3.26Å; D92-I94 PolarHBondContact O-N 2.91Å; D92-I94 PolarHBondContact OD1-N 2.95Å; I94-R96 HydrophobicContact CG2-CG 4.25Å; I94-K117 HydrophobicContact CG2-CB 4.07Å; I94-L118 WeakPolarHBondContact CA-O 3.31Å; I94-Q119 HydrophobicContact CG1-CB 4.23Å | ||
| 95 | I | 97.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 131.3 | 169 | -59 | 160.7 | 0 | 0 | 0 | 106.8 | L87 I88 K117 L118 W127 C130 A141 | L87-I95 HydrophobicContact CB-CG2 4.03Å; L87-I95 HydrophobicContact CD1-CG2 4.31Å; I88-I95 WeakPolarHBondContact O-CA 3.25Å; I95-K117 CarbonylContact O-C 3.53Å; I95-K117 WeakPolarHBondContact O-CA 3.49Å; I95-L118 HydrophobicContact CB-CB 4.21Å; I95-L118 PolarHBondContact N-O 2.78Å; I95-L118 PolarHBondContact O-N 2.7Å; I95-W127 HydrophobicContact CD1-CB 4.5Å; I95-W127 HydrophobicContact CD1-CD2 4.09Å; I95-W127 HydrophobicContact CD1-CG 3.84Å; I95-W127 HydrophobicContact CG1-CG 4.09Å; I95-C130 HydrophobicContact CD1-CB 4.46Å; I95-C130 WeakPolarHBondContact CD1-SG 3.34Å; I95-A141 HydrophobicContact CD1-CB 3.45Å; I95-A141 VanDerWaalsContact CD1-CB 3.45Å |
| 96 | R | 97.5 | Very high | 96.1 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 127 | 179.6 | -66.7 | 173.9 | 175.4 | 71.9 | -3.6 | 109.7 | V64 T65 L87 I88 T90 D92 I94 Y98 P114 | V64-R96 VanDerWaalsContact CG1-NE 3.28Å; T65-R96 PolarHBondContact O-NE 2.81Å; T65-R96 PolarHBondContact O-NH2 2.99Å; L87-R96 CarbonylContact C-O 3.59Å; L87-R96 VanDerWaalsContact CA-O 3.31Å; L87-R96 WeakPolarHBondContact CA-O 3.46Å; I88-R96 PolarHBondContact N-O 2.99Å; I88-R96 PolarHBondContact O-N 3.14Å; T90-R96 PolarHBondContact OG1-NH1 3.49Å; D92-R96 IonicContact OD1-NH1 2.69Å; D92-R96 PolarHBondContact OD1-NH1 3.24Å; D92-R96 IonicContact OD2-CZ 3.6Å; D92-R96 VanDerWaalsContact OD2-CZ 3.29Å; D92-R96 IonicContact OD2-NH1 2.69Å; D92-R96 PolarHBondContact OD2-NH1 3.04Å; D92-R96 IonicContact OD2-NH2 3.57Å; D92-R96 PolarHBondContact OD2-NH2 2.51Å; I94-R96 HydrophobicContact CG2-CG 4.25Å; R96-Y98 HydrophobicContact CB-CD2 4.22Å; R96-Y98 HydrophobicContact CB-CE2 3.54Å; R96-P114 HydrophobicContact CB-CB 4.12Å; R96-P114 HydrophobicContact CG-CB 4.49Å |
| 97 | V | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 132.6 | 178.8 | -172.3 | 0 | 0 | 0 | 0 | 108.4 | F86 L87 P114 M115 Q116 L118 F132 I139 | F86-V97 WeakPolarHBondContact O-CA 3.31Å; L87-V97 HydrophobicContact CB-CG2 4.44Å; V97-P114 CarbonylContact O-C 3.56Å; V97-P114 VanDerWaalsContact O-CA 3.26Å; V97-P114 WeakPolarHBondContact O-CA 3.19Å; V97-P114 WeakPolarHBondContact O-CB 3.35Å; V97-M115 PolarHBondContact O-N 2.91Å; V97-Q116 HydrophobicContact CB-CB 4.12Å; V97-Q116 HydrophobicContact CG2-CB 4.2Å; V97-Q116 PolarHBondContact N-O 2.81Å; V97-Q116 PolarHBondContact O-N 3.09Å; V97-L118 HydrophobicContact CG2-CD1 4.39Å; V97-F132 HydrophobicContact CG1-CZ 4.38Å; V97-I139 HydrophobicContact CG1-CD1 4.47Å; V97-I139 HydrophobicContact CG2-CD1 3.45Å; V97-I139 VanDerWaalsContact CG2-CD1 3.45Å |
| 98 | Y | 97.2 | Very high | 95.8 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 1% | 0.012 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 159.2 | -178.9 | -69.8 | -87.9 | 0 | 0 | 0 | 110.3 | F62 C85 F86 I88 R96 P112 P114 | F62-Y98 HydrophobicContact CE2-CE1 4.33Å; F62-Y98 HydrophobicContact CE2-CE2 4.49Å; C85-Y98 WeakPolarHBondContact CA-O 3.47Å; F86-Y98 HydrophobicContact CE1-CG 4.44Å; F86-Y98 HydrophobicContact CE2-CD2 4.5Å; F86-Y98 HydrophobicContact CZ-CD2 4.22Å; F86-Y98 HydrophobicContact CZ-CG 4.14Å; F86-Y98 PolarHBondContact N-O 3.02Å; F86-Y98 PolarHBondContact O-N 3.09Å; I88-Y98 HydrophobicContact CD1-CD2 3.82Å; I88-Y98 HydrophobicContact CD1-CE2 3.68Å; I88-Y98 HydrophobicContact CG1-CD2 4.11Å; I88-Y98 HydrophobicContact CG1-CE2 4.23Å; R96-Y98 HydrophobicContact CB-CD2 4.22Å; R96-Y98 HydrophobicContact CB-CE2 3.54Å; Y98-P112 HydrophobicContact CD1-CB 4.33Å; Y98-P112 HydrophobicContact CE1-CB 4.27Å; Y98-P112 HydrophobicContact CE1-CG 4.29Å; Y98-P114 HydrophobicContact CD1-CB 4.22Å; Y98-P114 HydrophobicContact CD2-CB 4.48Å; Y98-P114 HydrophobicContact CE1-CB 3.79Å; Y98-P114 HydrophobicContact CE1-CG 4.43Å; Y98-P114 HydrophobicContact CE2-CB 4.08Å |
| 99 | D | 95.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 49.1 Ų | 49.1 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 125.8 | 163.7 | -168.4 | -25.4 | 0 | 0 | 0 | 109.3 | S84 R101 E102 I103 M115 | S84-D99 WeakPolarHBondContact CB-OD1 3.4Å; S84-D99 PolarHBondContact OG-OD1 2.76Å; S84-D99 PolarHBondContact OG-OD2 2.85Å; D99-R101 PolarHBondContact O-N 3.42Å; D99-R101 WeakPolarHBondContact OD1-CB 3.45Å; D99-R101 PolarHBondContact OD1-N 2.82Å; D99-R101 IonicContact OD1-NE 3.75Å; D99-R101 PolarHBondContact OD1-NE 3.28Å; D99-R101 IonicContact OD2-CZ 2.95Å; D99-R101 IonicContact OD2-NE 2.92Å; D99-R101 PolarHBondContact OD2-NE 3.42Å; D99-R101 IonicContact OD2-NH2 4Å; D99-R101 PolarHBondContact OD2-NH2 3.2Å; D99-E102 HydrophobicContact CB-CB 4.31Å; D99-E102 WeakPolarHBondContact O-CB 3.24Å; D99-E102 PolarHBondContact O-N 3.49Å; D99-I103 PolarHBondContact O-N 3.28Å; D99-M115 HydrophobicContact CB-SD 3.77Å |
| 100 | G | 94 | Very high | 95.3 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57 | -33.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | S84 E102 I103 L104 | S84-G100 PolarHBondContact O-N 2.78Å; G100-E102 PolarHBondContact O-N 2.99Å; G100-I103 PolarHBondContact O-N 2.54Å; G100-L104 WeakPolarHBondContact O-CG 3.32Å; G100-L104 PolarHBondContact O-N 3.44Å |
| 101 | R | 94 | Very high | 95.2 | Very high | 160 Ų | 160 | 58 Ų | 58 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -65.7 | -38.2 | 178.7 | -68.1 | 177.1 | -69.6 | -171.3 | -3.1 | 112.3 | S84 D99 I103 L104 T105 | S84-R101 PolarHBondContact OG-NE 2.92Å; S84-R101 PolarHBondContact OG-NH2 2.81Å; D99-R101 PolarHBondContact O-N 3.42Å; D99-R101 WeakPolarHBondContact OD1-CB 3.45Å; D99-R101 PolarHBondContact OD1-N 2.82Å; D99-R101 IonicContact OD1-NE 3.75Å; D99-R101 PolarHBondContact OD1-NE 3.28Å; D99-R101 IonicContact OD2-CZ 2.95Å; D99-R101 IonicContact OD2-NE 2.92Å; D99-R101 PolarHBondContact OD2-NE 3.42Å; D99-R101 IonicContact OD2-NH2 4Å; D99-R101 PolarHBondContact OD2-NH2 3.2Å; R101-I103 VanDerWaalsContact C-N 3.32Å; R101-L104 PolarHBondContact O-N 3.46Å; R101-T105 WeakPolarHBondContact O-CB 3.47Å; R101-T105 PolarHBondContact O-N 3.02Å; R101-T105 PolarHBondContact O-OG1 3.46Å |
| 102 | E | 94.9 | Very high | 95.1 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 35% | 0.346 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 176.3 | -172.2 | -178.6 | 166.3 | 0 | 0 | 110.4 | D99 G100 L104 T105 C106 | D99-E102 HydrophobicContact CB-CB 4.31Å; D99-E102 WeakPolarHBondContact O-CB 3.24Å; D99-E102 PolarHBondContact O-N 3.49Å; G100-E102 PolarHBondContact O-N 2.99Å; E102-L104 PolarHBondContact O-N 3.11Å; E102-T105 CarbonylContact O-C 3.54Å; E102-T105 WeakPolarHBondContact O-CB 3.3Å; E102-T105 PolarHBondContact O-N 3.41Å; E102-T105 VanDerWaalsContact O-N 3.11Å; E102-C106 PolarHBondContact O-N 3.31Å; E102-C106 PolarHBondContact O-SG 2.9Å |
| 103 | I | 95.7 | Very high | 95.1 | Very high | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 179.8 | -62.8 | 166.5 | 0 | 0 | 0 | 111.7 | Y40 V50 A60 F62 F86 D99 G100 R101 T105 C106 G107 P112 | Y40-I103 HydrophobicContact CE1-CD1 4.01Å; Y40-I103 HydrophobicContact CE1-CG2 4.49Å; V50-I103 HydrophobicContact CG2-CG2 3.85Å; A60-I103 HydrophobicContact CB-CG2 3.95Å; F62-I103 HydrophobicContact CD1-CG2 4.01Å; F62-I103 HydrophobicContact CE1-CD1 3.9Å; F62-I103 HydrophobicContact CE1-CG1 4.2Å; F62-I103 HydrophobicContact CE1-CG2 3.86Å; F62-I103 HydrophobicContact CZ-CD1 4.13Å; F86-I103 HydrophobicContact CE1-CD1 3.16Å; F86-I103 HydrophobicContact CE2-CD1 4.48Å; F86-I103 HydrophobicContact CZ-CD1 3.14Å; D99-I103 PolarHBondContact O-N 3.28Å; G100-I103 PolarHBondContact O-N 2.54Å; R101-I103 VanDerWaalsContact C-N 3.32Å; I103-T105 PolarHBondContact O-N 3.47Å; I103-C106 PolarHBondContact O-N 3.07Å; I103-G107 PolarHBondContact O-N 3.27Å; I103-P112 HydrophobicContact CG1-CB 4.17Å; I103-P112 HydrophobicContact CG1-CG 4.23Å |
| 104 | L | 94.4 | Very high | 95 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.5 | -33.8 | 175.4 | -66.6 | 174 | 0 | 0 | 0 | 111.4 | Y38 V50 V59 G100 R101 E102 G107 | Y38-L104 HydrophobicContact CD1-CD2 4.32Å; Y38-L104 HydrophobicContact CD2-CD1 4.28Å; Y38-L104 HydrophobicContact CE1-CD2 4.07Å; Y38-L104 HydrophobicContact CE2-CD1 3.76Å; Y38-L104 HydrophobicContact CE2-CD2 4.31Å; V50-L104 HydrophobicContact CG1-CD2 4.19Å; V59-L104 HydrophobicContact CG2-CD2 3.89Å; G100-L104 WeakPolarHBondContact O-CG 3.32Å; G100-L104 PolarHBondContact O-N 3.44Å; R101-L104 PolarHBondContact O-N 3.46Å; E102-L104 PolarHBondContact O-N 3.11Å; L104-G107 PolarHBondContact O-N 3.37Å |
| 105 | T | 95.2 | Very high | 95 | Very high | 124 Ų | 124 | 60.7 Ų | 60.7 | 76% | 0.761 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -71.2 | -38.8 | 176 | -55 | 0 | 0 | 0 | 0 | 112 | R101 E102 I103 G107 | R101-T105 WeakPolarHBondContact O-CB 3.47Å; R101-T105 PolarHBondContact O-N 3.02Å; R101-T105 PolarHBondContact O-OG1 3.46Å; E102-T105 CarbonylContact O-C 3.54Å; E102-T105 WeakPolarHBondContact O-CB 3.3Å; E102-T105 PolarHBondContact O-N 3.41Å; E102-T105 VanDerWaalsContact O-N 3.11Å; I103-T105 PolarHBondContact O-N 3.47Å; T105-G107 VanDerWaalsContact C-N 3.3Å; T105-G107 PolarHBondContact O-N 3.29Å |
| 106 | C | 94 | Very high | 94.9 | Very high | 56 Ų | 56 | 63 Ų | 63 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.1 | -33.9 | 174.1 | -66.5 | 0 | 0 | 0 | 0 | 112.5 | E102 I103 | E102-C106 PolarHBondContact O-N 3.31Å; E102-C106 PolarHBondContact O-SG 2.9Å; I103-C106 PolarHBondContact O-N 3.07Å |
| 107 | G | 94.6 | Very high | 94.8 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 17% | 0.165 | 34% | 0.337 | C | S | . | . | trans | 71.9 | -148.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.8 | A60 S61 I103 L104 T105 | A60-G107 VanDerWaalsContact CA-O 3.26Å; A60-G107 WeakPolarHBondContact CA-O 3.47Å; A60-G107 VanDerWaalsContact CB-O 3.3Å; A60-G107 WeakPolarHBondContact CB-O 3.33Å; S61-G107 PolarHBondContact N-O 2.87Å; S61-G107 VanDerWaalsContact N-O 3.15Å; I103-G107 PolarHBondContact O-N 3.27Å; L104-G107 PolarHBondContact O-N 3.37Å; T105-G107 VanDerWaalsContact C-N 3.3Å; T105-G107 PolarHBondContact O-N 3.29Å | ||
| 108 | R | 94.8 | Very high | 94.8 | Very high | 160 Ų | 160 | 68.3 Ų | 68.3 | 60% | 0.604 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 135.1 | -176.2 | -65.3 | -176.2 | -178.3 | 177.5 | 1.2 | 111.4 | L58 G110 | L58-R108 HydrophobicContact CG-CG 4.47Å; L58-R108 PolarHBondContact O-NE 3.04Å; L58-R108 PolarHBondContact O-NH2 2.83Å; R108-G110 PolarHBondContact O-N 3.48Å |
| 109 | D | 93 | Very high | 94.7 | Very high | 113 Ų | 113 | 71.9 Ų | 71.9 | 60% | 0.604 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 37.8 | -177 | -60 | -50.5 | 0 | 0 | 0 | 113.2 | K47 S61 | K47-D109 IonicContact NZ-OD1 3.31Å; K47-D109 PolarHBondContact NZ-OD1 3.47Å; S61-D109 CarbonylContact O-C 3.58Å; S61-D109 WeakPolarHBondContact O-CA 3.19Å; S61-D109 PolarHBondContact O-N 3.22Å; S61-D109 PolarHBondContact OG-N 3.3Å; S61-D109 PolarHBondContact OG-OD1 2.93Å; S61-D109 VanDerWaalsContact OG-OD1 3.14Å |
| 110 | G | 92.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 71.5 Ų | 71.5 | 13% | 0.134 | 35% | 0.352 | C | S | . | . | B | Isolated β-bridge | trans | -74.4 | 167.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S61 F62 R108 P112 | S61-G110 PolarHBondContact O-N 2.87Å; F62-G110 WeakPolarHBondContact CB-O 3.02Å; R108-G110 PolarHBondContact O-N 3.48Å; G110-P112 VanDerWaalsContact C-CD 3.43Å; G110-P112 WeakPolarHBondContact O-CD 3.31Å |
| 111 | E | 93.4 | Very high | 94.7 | Very high | 176 Ų | 176 | 77.4 Ų | 77.4 | 82% | 0.822 | 38% | 0.382 | S | S | * | . | trans | -124.2 | 65.2 | 177.3 | -62.2 | -171.8 | 157.2 | 0 | 0 | 110.5 | ||||
| 112 | P | 94.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 75.8 Ų | 75.8 | 5% | 0.052 | 39% | 0.389 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 138.7 | -179.6 | 29.4 | -34.4 | 0 | 0 | 0 | 110.7 | F62 Y98 I103 G110 | F62-P112 VanDerWaalsContact CB-CD 3.48Å; F62-P112 HydrophobicContact CB-CG 3.92Å; F62-P112 HydrophobicContact CD1-CG 3.91Å; F62-P112 HydrophobicContact CD2-CG 3.5Å; F62-P112 VanDerWaalsContact CD2-CG 3.5Å; F62-P112 HydrophobicContact CE1-CG 4.25Å; F62-P112 HydrophobicContact CE2-CG 3.87Å; F62-P112 HydrophobicContact CG-CG 3.52Å; F62-P112 HydrophobicContact CZ-CG 4.23Å; Y98-P112 HydrophobicContact CD1-CB 4.33Å; Y98-P112 HydrophobicContact CE1-CB 4.27Å; Y98-P112 HydrophobicContact CE1-CG 4.29Å; I103-P112 HydrophobicContact CG1-CB 4.17Å; I103-P112 HydrophobicContact CG1-CG 4.23Å; G110-P112 VanDerWaalsContact C-CD 3.43Å; G110-P112 WeakPolarHBondContact O-CD 3.31Å |
| 113 | E | 93.6 | Very high | 94.6 | Very high | 150 Ų | 150 | 76.4 Ų | 76.4 | 70% | 0.701 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -89.4 | 138.2 | 173.3 | -65.2 | -162.6 | 157.5 | 0 | 0 | 110 | M115 | E113-M115 PolarHBondContact O-N 3.3Š|
| 114 | P | 95.2 | Very high | 94.5 | Very high | 26 Ų | 26 | 84.6 Ų | 84.6 | 17% | 0.169 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 131.8 | 176.1 | 28.3 | -32.5 | 0 | 0 | 0 | 109.7 | R96 V97 Y98 Q116 K117 | R96-P114 HydrophobicContact CB-CB 4.12Å; R96-P114 HydrophobicContact CG-CB 4.49Å; V97-P114 CarbonylContact O-C 3.56Å; V97-P114 VanDerWaalsContact O-CA 3.26Å; V97-P114 WeakPolarHBondContact O-CA 3.19Å; V97-P114 WeakPolarHBondContact O-CB 3.35Å; Y98-P114 HydrophobicContact CD1-CB 4.22Å; Y98-P114 HydrophobicContact CD2-CB 4.48Å; Y98-P114 HydrophobicContact CE1-CB 3.79Å; Y98-P114 HydrophobicContact CE1-CG 4.43Å; Y98-P114 HydrophobicContact CE2-CB 4.08Å; P114-Q116 PolarHBondContact O-N 2.83Å; P114-K117 HydrophobicContact CB-CG 4.37Å; P114-K117 HydrophobicContact CG-CD 4.17Å; P114-K117 HydrophobicContact CG-CG 3.79Å |
| 115 | M | 95.1 | Very high | 94.6 | Very high | 99 Ų | 99 | 81.9 Ų | 81.9 | 49% | 0.488 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -52.8 | -40.1 | 170.2 | -60.1 | 178.9 | 75 | 0 | 0 | 111.3 | V97 D99 E113 | V97-M115 PolarHBondContact O-N 2.91Å; D99-M115 HydrophobicContact CB-SD 3.77Å; E113-M115 PolarHBondContact O-N 3.3Å |
| 116 | Q | 95.7 | Very high | 94.6 | Very high | 47 Ų | 47 | 77.4 Ų | 77.4 | 22% | 0.22 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 145.6 | 178.9 | -167.9 | 54 | -78.3 | 0 | 0 | 113.1 | V97 P114 L118 I156 | V97-Q116 HydrophobicContact CB-CB 4.12Å; V97-Q116 HydrophobicContact CG2-CB 4.2Å; V97-Q116 PolarHBondContact N-O 2.81Å; V97-Q116 PolarHBondContact O-N 3.09Å; P114-Q116 PolarHBondContact O-N 2.83Å; Q116-L118 HydrophobicContact CG-CD2 3.53Å; Q116-L118 HydrophobicContact CG-CG 4.1Å; Q116-I156 PolarHBondContact NE2-O 3.06Å; Q116-I156 VanDerWaalsContact NE2-O 3.1Å |
| 117 | K | 96.1 | Very high | 94.8 | Very high | 114 Ų | 114 | 74.8 Ų | 74.8 | 50% | 0.496 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 110.5 | 174 | -63.7 | 177.7 | -171 | 168.8 | 0 | 109.7 | I94 I95 P114 | I94-K117 HydrophobicContact CG2-CB 4.07Å; I95-K117 CarbonylContact O-C 3.53Å; I95-K117 WeakPolarHBondContact O-CA 3.49Å; P114-K117 HydrophobicContact CB-CG 4.37Å; P114-K117 HydrophobicContact CG-CD 4.17Å; P114-K117 HydrophobicContact CG-CG 3.79Å |
| 118 | L | 97.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 130.6 | -178.2 | -51.9 | 175.2 | 0 | 0 | 0 | 110.6 | I94 I95 V97 Q116 I139 W152 | I94-L118 WeakPolarHBondContact CA-O 3.31Å; I95-L118 HydrophobicContact CB-CB 4.21Å; I95-L118 PolarHBondContact N-O 2.78Å; I95-L118 PolarHBondContact O-N 2.7Å; V97-L118 HydrophobicContact CG2-CD1 4.39Å; Q116-L118 HydrophobicContact CG-CD2 3.53Å; Q116-L118 HydrophobicContact CG-CG 4.1Å; L118-I139 HydrophobicContact CD1-CB 4.16Å; L118-I139 HydrophobicContact CD1-CD1 3.8Å; L118-I139 HydrophobicContact CD1-CG2 4.18Å; L118-W152 HydrophobicContact CB-CD2 4.39Å; L118-W152 HydrophobicContact CD1-CB 3.92Å; L118-W152 HydrophobicContact CD1-CD2 4.21Å; L118-W152 HydrophobicContact CD1-CE3 4.38Å; L118-W152 HydrophobicContact CD1-CG 4.04Å; L118-W152 HydrophobicContact CD2-CB 4.04Å; L118-W152 HydrophobicContact CD2-CG 3.89Å; L118-W152 HydrophobicContact CG-CG 4.39Å |
| 119 | Q | 96.4 | Very high | 95 | Very high | 79 Ų | 79 | 73.9 Ų | 73.9 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | trans | -156.9 | 157.2 | 177.1 | 59.6 | 178.9 | -24.6 | 0 | 0 | 111.6 | I94 L121 | I94-Q119 HydrophobicContact CG1-CB 4.23Å; Q119-L121 HydrophobicContact CG-CD2 3.89Å; Q119-L121 HydrophobicContact CG-CG 4.17Å; Q119-L121 VanDerWaalsContact NE2-CD2 3.33Å; Q119-L121 PolarHBondContact O-N 2.95Å | ||
| 120 | D | 95.6 | Very high | 95.2 | Very high | 14 Ų | 14 | 68.5 Ų | 68.5 | 8% | 0.075 | 33% | 0.334 | C | S | . | . | trans | -86.1 | 95.4 | 167.8 | 179.9 | -8.4 | 0 | 0 | 0 | 108.7 | V122 N123 R124 T125 W127 Y150 | D120-V122 PolarHBondContact O-N 2.75Å; D120-V122 PolarHBondContact OD1-N 2.8Å; D120-N123 PolarHBondContact OD1-N 2.84Å; D120-N123 WeakPolarHBondContact OD2-CB 3.48Å; D120-N123 PolarHBondContact OD2-ND2 3.4Å; D120-N123 VanDerWaalsContact OD2-ND2 3.08Å; D120-R124 WeakPolarHBondContact O-CA 3.49Å; D120-R124 PolarHBondContact O-N 3.4Å; D120-T125 PolarHBondContact OD2-OG1 3.31Å; D120-W127 HydrophobicContact CB-CH2 4.05Å; D120-W127 HydrophobicContact CB-CZ2 3.95Å; D120-Y150 HydrophobicContact CB-CE1 4.37Å; D120-Y150 PolarHBondContact OD2-OH 3.25Å; D120-Y150 VanDerWaalsContact OD2-OH 3.11Å | ||
| 121 | L | 93.1 | Very high | 95.5 | Very high | 130 Ų | 130 | 68.6 Ų | 68.6 | 68% | 0.681 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -26.3 | -179.5 | -70.9 | 172.2 | 0 | 0 | 0 | 113 | Q119 | Q119-L121 HydrophobicContact CG-CD2 3.89Å; Q119-L121 HydrophobicContact CG-CG 4.17Å; Q119-L121 VanDerWaalsContact NE2-CD2 3.33Å; Q119-L121 PolarHBondContact O-N 2.95Å |
| 122 | V | 93.9 | Very high | 95.6 | Very high | 125 Ų | 125 | 60.9 Ų | 60.9 | 76% | 0.758 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -61.7 | -174.2 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | D120 | D120-V122 PolarHBondContact O-N 2.75Å; D120-V122 PolarHBondContact OD1-N 2.8Å |
| 123 | N | 92.9 | Very high | 95.7 | Very high | 88 Ų | 88 | 60.7 Ų | 60.7 | 47% | 0.471 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -8.9 | -173.5 | -49.3 | -66.4 | 0 | 0 | 0 | 113.3 | D120 T125 | D120-N123 PolarHBondContact OD1-N 2.84Å; D120-N123 WeakPolarHBondContact OD2-CB 3.48Å; D120-N123 PolarHBondContact OD2-ND2 3.4Å; D120-N123 VanDerWaalsContact OD2-ND2 3.08Å; N123-T125 VanDerWaalsContact C-N 3.28Å; N123-T125 WeakPolarHBondContact CB-OG1 3.32Å; N123-T125 PolarHBondContact O-N 3.21Å |
| 124 | R | 94.2 | Very high | 95.4 | Very high | 174 Ų | 174 | 54.2 Ų | 54.2 | 66% | 0.657 | 27% | 0.269 | S | S | * | . | trans | 49.9 | 52.2 | -175.5 | -57.9 | -175.1 | 178.5 | -164.9 | -0.6 | 110.9 | R93 D120 | R93-R124 WeakPolarHBondContact CD-O 3.42Å; R93-R124 PolarHBondContact NH1-O 2.8Å; D120-R124 WeakPolarHBondContact O-CA 3.49Å; D120-R124 PolarHBondContact O-N 3.4Å | ||
| 125 | T | 95.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -74.8 | 127.4 | -173.4 | -61 | 0 | 0 | 0 | 0 | 111.1 | D120 N123 W127 S143 | D120-T125 PolarHBondContact OD2-OG1 3.31Å; N123-T125 VanDerWaalsContact C-N 3.28Å; N123-T125 WeakPolarHBondContact CB-OG1 3.32Å; N123-T125 PolarHBondContact O-N 3.21Å; T125-W127 HydrophobicContact CG2-CH2 4.46Å; T125-W127 HydrophobicContact CG2-CZ3 4.33Å; T125-S143 WeakPolarHBondContact CG2-OG 3.47Å |
| 126 | P | 96.6 | Very high | 95 | Very high | 30 Ų | 30 | 51.8 Ų | 51.8 | 20% | 0.195 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 145.8 | 170.7 | 29.7 | -31.6 | 0 | 0 | 0 | 111.6 | R93 A144 R145 | R93-P126 HydrophobicContact CG-CB 4.17Å; P126-A144 HydrophobicContact CG-CB 4.24Å; P126-A144 WeakPolarHBondContact O-CB 3.35Å; P126-A144 PolarHBondContact O-N 2.95Å; P126-R145 HydrophobicContact CG-CG 4.12Å |
| 127 | W | 97.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 53 Ų | 53 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 129.7 | -175.8 | -50.2 | 110 | 0 | 0 | 0 | 112.5 | K75 N89 R93 I95 D120 T125 A141 G142 Y150 W152 | K75-W127 PolarHBondContact NZ-O 3.2Å; N89-W127 PolarHBondContact ND2-O 2.69Å; R93-W127 PolarHBondContact O-NE1 2.99Å; I95-W127 HydrophobicContact CD1-CB 4.5Å; I95-W127 HydrophobicContact CD1-CD2 4.09Å; I95-W127 HydrophobicContact CD1-CG 3.84Å; I95-W127 HydrophobicContact CG1-CG 4.09Å; D120-W127 HydrophobicContact CB-CH2 4.05Å; D120-W127 HydrophobicContact CB-CZ2 3.95Å; T125-W127 HydrophobicContact CG2-CH2 4.46Å; T125-W127 HydrophobicContact CG2-CZ3 4.33Å; W127-A141 HydrophobicContact CD2-CB 3.8Å; W127-A141 HydrophobicContact CE3-CB 3.42Å; W127-A141 VanDerWaalsContact CE3-CB 3.42Å; W127-A141 HydrophobicContact CG-CB 4.28Å; W127-A141 HydrophobicContact CZ3-CB 3.94Å; W127-G142 CarbonylContact C-O 3.53Å; W127-G142 WeakPolarHBondContact CA-O 3.22Å; W127-Y150 AromaticContact CH2-CD1 3.98Å; W127-Y150 HydrophobicContact CH2-CD1 3.98Å; W127-Y150 HydrophobicContact CH2-CD2 4.04Å; W127-Y150 HydrophobicContact CH2-CE1 4.29Å; W127-Y150 HydrophobicContact CH2-CE2 4.38Å; W127-Y150 AromaticContact CH2-CG 3.85Å; W127-Y150 HydrophobicContact CH2-CG 3.85Å; W127-Y150 HydrophobicContact CZ3-CD1 4.49Å; W127-Y150 AromaticContact CZ3-CD2 3.75Å; W127-Y150 HydrophobicContact CZ3-CD2 3.75Å; W127-Y150 HydrophobicContact CZ3-CE2 4.25Å; W127-Y150 AromaticContact CZ3-CG 3.9Å; W127-Y150 HydrophobicContact CZ3-CG 3.9Å; W127-W152 AromaticContact CH2-CH2 3.4Å; W127-W152 HydrophobicContact CH2-CH2 3.4Å; W127-W152 VanDerWaalsContact CH2-CH2 3.4Å; W127-W152 HydrophobicContact CH2-CZ2 4.01Å; W127-W152 HydrophobicContact CH2-CZ3 4.49Å; W127-W152 AromaticContact CZ2-CH2 3.64Å; W127-W152 HydrophobicContact CZ2-CH2 3.64Å; W127-W152 HydrophobicContact CZ2-CZ2 4.07Å; W127-W152 AromaticContact CZ3-CH2 3.88Å; W127-W152 HydrophobicContact CZ3-CH2 3.88Å |
| 128 | K | 96.8 | Very high | 94.9 | Very high | 109 Ų | 109 | 51.9 Ų | 51.9 | 47% | 0.474 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | -52.5 | 179.3 | -179 | 59.7 | 175.5 | 175.1 | 0 | 111.9 | G142 A144 L172 | K128-G142 PolarHBondContact N-O 2.91Å; K128-A144 HydrophobicContact CB-CB 3.87Å; K128-L172 WeakPolarHBondContact CG-O 3.29Å |
| 129 | K | 97.2 | Very high | 94.9 | Very high | 48 Ų | 48 | 51.8 Ų | 51.8 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 145.2 | 178.6 | -179.8 | 68.1 | 168.4 | -81.4 | 0 | 108.3 | E78 G142 D173 V174 | E78-K129 WeakPolarHBondContact OE1-CE 3.4Å; K129-G142 PolarHBondContact O-N 3.43Å; K129-D173 VanDerWaalsContact CG-OD1 3.24Å; K129-D173 WeakPolarHBondContact CG-OD1 3.19Å; K129-D173 IonicContact NZ-OD1 3.23Å; K129-D173 PolarHBondContact NZ-OD1 2.83Å; K129-D173 IonicContact NZ-OD2 2.89Å; K129-V174 HydrophobicContact CB-CB 4.44Å; K129-V174 HydrophobicContact CB-CG2 4.46Å; K129-V174 HydrophobicContact CG-CB 4.22Å |
| 130 | C | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152.2 | 171.6 | -46.9 | 0 | 0 | 0 | 0 | 108.2 | L87 I95 V140 A141 | L87-C130 HydrophobicContact CD1-CB 3.83Å; L87-C130 HydrophobicContact CD2-CB 4.2Å; I95-C130 HydrophobicContact CD1-CB 4.46Å; I95-C130 WeakPolarHBondContact CD1-SG 3.34Å; C130-V140 CarbonylContact C-O 3.55Å; C130-V140 WeakPolarHBondContact CA-O 3.42Å; C130-A141 HydrophobicContact CB-CB 4.4Å |
| 131 | C | 96.9 | Very high | 95.1 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 10% | 0.101 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 158.4 | 169.7 | 52.1 | 0 | 0 | 0 | 0 | 110.5 | V140 | C131-V140 PolarHBondContact N-O 3.14Å; C131-V140 PolarHBondContact O-N 3.3Å; C131-V140 WeakPolarHBondContact SG-CG1 3.25Å |
| 132 | F | 97.1 | Very high | 95.4 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 6% | 0.061 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 157.3 | 172.3 | -75.2 | -85.2 | 0 | 0 | 0 | 111.1 | E78 A80 L87 V97 Y138 I139 W176 | E78-F132 WeakPolarHBondContact O-CE2 3.28Å; A80-F132 HydrophobicContact CB-CB 4.37Å; A80-F132 HydrophobicContact CB-CD1 4.03Å; A80-F132 HydrophobicContact CB-CD2 3.99Å; A80-F132 HydrophobicContact CB-CE1 4.29Å; A80-F132 HydrophobicContact CB-CE2 4.25Å; A80-F132 HydrophobicContact CB-CG 3.87Å; A80-F132 HydrophobicContact CB-CZ 4.39Å; L87-F132 HydrophobicContact CB-CE2 3.86Å; L87-F132 HydrophobicContact CB-CZ 3.88Å; L87-F132 HydrophobicContact CD2-CD2 3.84Å; L87-F132 HydrophobicContact CD2-CE1 4.48Å; L87-F132 HydrophobicContact CD2-CE2 3.51Å; L87-F132 HydrophobicContact CD2-CG 4.46Å; L87-F132 HydrophobicContact CD2-CZ 3.87Å; L87-F132 HydrophobicContact CG-CD2 4.24Å; L87-F132 HydrophobicContact CG-CE2 3.56Å; L87-F132 HydrophobicContact CG-CZ 4.05Å; V97-F132 HydrophobicContact CG1-CZ 4.38Å; F132-Y138 CarbonylContact C-O 3.58Å; F132-Y138 WeakPolarHBondContact CA-O 3.46Å; F132-I139 HydrophobicContact CD1-CD1 4.24Å; F132-I139 HydrophobicContact CD1-CG1 3.64Å; F132-I139 HydrophobicContact CE1-CD1 3.64Å; F132-I139 HydrophobicContact CE1-CG1 3.58Å; F132-I139 HydrophobicContact CG-CG1 4.48Å; F132-I139 HydrophobicContact CZ-CD1 4.18Å; F132-I139 HydrophobicContact CZ-CG1 4.38Å; F132-W176 WeakPolarHBondContact O-CB 3.47Å |
| 133 | S | 95.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.028 | 17% | 0.165 | C | C | . | . | trans | -64.2 | 167.2 | 158.4 | 57 | 0 | 0 | 0 | 0 | 111.2 | D135 G136 E137 Y138 | S133-D135 VanDerWaalsContact C-N 3.33Å; S133-D135 VanDerWaalsContact CB-OD1 3.29Å; S133-D135 WeakPolarHBondContact CB-OD1 3.4Å; S133-D135 PolarHBondContact O-N 3.41Å; S133-D135 PolarHBondContact OG-OD1 3.12Å; S133-G136 PolarHBondContact O-N 3.48Å; S133-G136 VanDerWaalsContact O-N 3.12Å; S133-G136 PolarHBondContact OG-N 2.77Å; S133-E137 PolarHBondContact OG-N 3.48Å; S133-Y138 PolarHBondContact N-O 2.97Å; S133-Y138 PolarHBondContact OG-N 2.92Å; S133-Y138 PolarHBondContact OG-O 3.39Å | ||
| 134 | G | 89.1 | Confident | 95.6 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 16% | 0.155 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -45.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | G136 P178 | G134-G136 VanDerWaalsContact C-N 3.34Å; G134-P178 WeakPolarHBondContact CA-O 3.28Å |
| 135 | D | 88.6 | Confident | 95.6 | Very high | 74 Ų | 74 | 31.2 Ų | 31.2 | 40% | 0.396 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.4 | 178.3 | 58.7 | -0.2 | 0 | 0 | 0 | 114.1 | K82 S133 E137 | K82-D135 WeakPolarHBondContact CB-O 3.34Å; S133-D135 VanDerWaalsContact C-N 3.33Å; S133-D135 VanDerWaalsContact CB-OD1 3.29Å; S133-D135 WeakPolarHBondContact CB-OD1 3.4Å; S133-D135 PolarHBondContact O-N 3.41Å; S133-D135 PolarHBondContact OG-OD1 3.12Å; D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact OD1-N 2.96Å; D135-E137 VanDerWaalsContact OD1-N 3.15Å |
| 136 | G | 91.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 78.9 | 5.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | S133 G134 K154 | S133-G136 PolarHBondContact O-N 3.48Å; S133-G136 VanDerWaalsContact O-N 3.12Å; S133-G136 PolarHBondContact OG-N 2.77Å; G134-G136 VanDerWaalsContact C-N 3.34Å; G136-K154 WeakPolarHBondContact O-CD 3.31Å |
| 137 | E | 93.4 | Very high | 95.5 | Very high | 73 Ų | 73 | 33.8 Ų | 33.8 | 34% | 0.341 | 16% | 0.161 | S | C | . | . | S | Bend | trans | -87.5 | -22.1 | -177.1 | -68.6 | -55 | 118.9 | 0 | 0 | 113.8 | S133 D135 K154 | S133-E137 PolarHBondContact OG-N 3.48Å; D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact OD1-N 2.96Å; D135-E137 VanDerWaalsContact OD1-N 3.15Å; E137-K154 WeakPolarHBondContact O-CB 3.44Å; E137-K154 PolarHBondContact O-N 3.11Å; E137-K154 IonicContact OE1-NZ 3.74Å; E137-K154 PolarHBondContact OE1-NZ 2.83Å |
| 138 | Y | 96.6 | Very high | 95.4 | Very high | 89 Ų | 89 | 33.8 Ų | 33.8 | 35% | 0.349 | 16% | 0.161 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 151.8 | 174.7 | -59 | -83.6 | 0 | 0 | 0 | 111.5 | F132 S133 I151 W152 E153 V160 | F132-Y138 CarbonylContact C-O 3.58Å; F132-Y138 WeakPolarHBondContact CA-O 3.46Å; S133-Y138 PolarHBondContact N-O 2.97Å; S133-Y138 PolarHBondContact OG-N 2.92Å; S133-Y138 PolarHBondContact OG-O 3.39Å; Y138-I151 HydrophobicContact CD1-CG2 4.3Å; Y138-W152 CarbonylContact C-O 3.58Å; Y138-W152 VanDerWaalsContact CA-O 3.28Å; Y138-W152 WeakPolarHBondContact CA-O 3.24Å; Y138-E153 HydrophobicContact CD1-CB 4.4Å; Y138-E153 HydrophobicContact CE1-CB 4.3Å; Y138-E153 HydrophobicContact CE1-CG 4.33Å; Y138-V160 HydrophobicContact CD1-CG2 4.4Å; Y138-V160 HydrophobicContact CE1-CG2 4.19Å |
| 139 | I | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.8 | 174.9 | -63.8 | 169.8 | 0 | 0 | 0 | 107.8 | L87 V97 L118 F132 I151 W152 | L87-I139 HydrophobicContact CD2-CD1 4.41Å; L87-I139 HydrophobicContact CD2-CG1 4.37Å; L87-I139 HydrophobicContact CD2-CG2 3.72Å; V97-I139 HydrophobicContact CG1-CD1 4.47Å; V97-I139 HydrophobicContact CG2-CD1 3.45Å; V97-I139 VanDerWaalsContact CG2-CD1 3.45Å; L118-I139 HydrophobicContact CD1-CB 4.16Å; L118-I139 HydrophobicContact CD1-CD1 3.8Å; L118-I139 HydrophobicContact CD1-CG2 4.18Å; F132-I139 HydrophobicContact CD1-CD1 4.24Å; F132-I139 HydrophobicContact CD1-CG1 3.64Å; F132-I139 HydrophobicContact CE1-CD1 3.64Å; F132-I139 HydrophobicContact CE1-CG1 3.58Å; F132-I139 HydrophobicContact CG-CG1 4.48Å; F132-I139 HydrophobicContact CZ-CD1 4.18Å; F132-I139 HydrophobicContact CZ-CG1 4.38Å; I139-I151 WeakPolarHBondContact O-CA 3.47Å; I139-W152 PolarHBondContact N-O 2.79Å; I139-W152 PolarHBondContact O-N 3.28Å |
| 140 | V | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 134.6 | 169 | 67 | 0 | 0 | 0 | 0 | 110.1 | C130 C131 L149 Y150 I151 V174 W176 I183 | C130-V140 CarbonylContact C-O 3.55Å; C130-V140 WeakPolarHBondContact CA-O 3.42Å; C131-V140 PolarHBondContact N-O 3.14Å; C131-V140 PolarHBondContact O-N 3.3Å; C131-V140 WeakPolarHBondContact SG-CG1 3.25Å; V140-L149 HydrophobicContact CG2-CB 3.93Å; V140-Y150 CarbonylContact C-O 3.58Å; V140-Y150 VanDerWaalsContact CA-O 3.28Å; V140-Y150 WeakPolarHBondContact CA-O 3.27Å; V140-I151 HydrophobicContact CB-CG1 4.42Å; V140-I151 HydrophobicContact CG2-CG1 4.12Å; V140-V174 HydrophobicContact CG1-CG1 3.88Å; V140-V174 HydrophobicContact CG2-CG1 4.27Å; V140-W176 HydrophobicContact CB-CE3 3.85Å; V140-W176 HydrophobicContact CB-CZ3 3.96Å; V140-W176 HydrophobicContact CG1-CE3 3.7Å; V140-W176 HydrophobicContact CG1-CZ3 4.34Å; V140-I183 HydrophobicContact CG2-CD1 4.33Å |
| 141 | A | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 130.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I95 W127 C130 Y150 W152 | I95-A141 HydrophobicContact CD1-CB 3.45Å; I95-A141 VanDerWaalsContact CD1-CB 3.45Å; W127-A141 HydrophobicContact CD2-CB 3.8Å; W127-A141 HydrophobicContact CE3-CB 3.42Å; W127-A141 VanDerWaalsContact CE3-CB 3.42Å; W127-A141 HydrophobicContact CG-CB 4.28Å; W127-A141 HydrophobicContact CZ3-CB 3.94Å; C130-A141 HydrophobicContact CB-CB 4.4Å; A141-Y150 PolarHBondContact N-O 2.8Å; A141-Y150 PolarHBondContact O-N 2.8Å; A141-W152 HydrophobicContact CB-CH2 4.04Å; A141-W152 HydrophobicContact CB-CZ3 3.5Å |
| 142 | G | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 125.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | W127 K128 K129 | W127-G142 CarbonylContact C-O 3.53Å; W127-G142 WeakPolarHBondContact CA-O 3.22Å; K128-G142 PolarHBondContact N-O 2.91Å; K129-G142 PolarHBondContact O-N 3.43Å |
| 143 | S | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 135.7 | 174.4 | 174 | 0 | 0 | 0 | 0 | 111.5 | T125 R145 Q146 A148 L171 | T125-S143 WeakPolarHBondContact CG2-OG 3.47Å; S143-R145 VanDerWaalsContact C-N 3.28Å; S143-R145 PolarHBondContact OG-N 2.94Å; S143-R145 VanDerWaalsContact OG-N 3.12Å; S143-Q146 WeakPolarHBondContact CB-O 3.48Å; S143-Q146 PolarHBondContact OG-N 2.99Å; S143-A148 WeakPolarHBondContact CB-O 3.5Å; S143-A148 PolarHBondContact N-O 3.39Å; S143-L171 WeakPolarHBondContact O-CB 3.28Å |
| 144 | A | 95.1 | Very high | 95.6 | Very high | 38 Ų | 38 | 30.5 Ų | 30.5 | 31% | 0.314 | 15% | 0.146 | S | C | . | . | S | Bend | trans | -82.2 | -4.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P126 K128 | P126-A144 HydrophobicContact CG-CB 4.24Å; P126-A144 WeakPolarHBondContact O-CB 3.35Å; P126-A144 PolarHBondContact O-N 2.95Å; K128-A144 HydrophobicContact CB-CB 3.87Å |
| 145 | R | 93.5 | Very high | 95.7 | Very high | 140 Ų | 140 | 33.2 Ų | 33.2 | 53% | 0.528 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -104.4 | -26.6 | -176.3 | -71.2 | -176.5 | 175.3 | 174.4 | -1.1 | 113.8 | P126 S143 L170 | P126-R145 HydrophobicContact CG-CG 4.12Å; S143-R145 VanDerWaalsContact C-N 3.28Å; S143-R145 PolarHBondContact OG-N 2.94Å; S143-R145 VanDerWaalsContact OG-N 3.12Å; R145-L170 WeakPolarHBondContact O-CD2 3.3Å |
| 146 | Q | 93.8 | Very high | 95.9 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 39% | 0.388 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -151.2 | 157.7 | -175.6 | 59.2 | -177.6 | 7.8 | 0 | 0 | 109.4 | S143 A148 E169 | S143-Q146 WeakPolarHBondContact CB-O 3.48Å; S143-Q146 PolarHBondContact OG-N 2.99Å; Q146-A148 HydrophobicContact CG-CB 3.77Å; Q146-A148 PolarHBondContact O-N 2.93Å; Q146-E169 CarbonylContact C-O 3.45Å |
| 147 | H | 96 | Very high | 95.9 | Very high | 7 Ų | 7 | 35.2 Ų | 35.2 | 3% | 0.032 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -69.8 | 76.2 | 168.7 | -168.7 | -178.5 | 0 | 0 | 0 | 110.4 | G165 T166 E169 S185 S187 W194 | H147-G165 WeakPolarHBondContact O-CA 3.49Å; H147-G165 PolarHBondContact O-N 2.79Å; H147-T166 PolarHBondContact ND1-N 2.8Å; H147-E169 HydrophobicContact CB-CB 4.19Å; H147-E169 PolarHBondContact N-O 2.93Å; H147-E169 IonicContact ND1-OE2 2.78Å; H147-S185 PolarHBondContact NE2-OG 2.8Å; H147-S187 PolarHBondContact CE1-OG 2.81Å; H147-S187 PolarHBondContact ND1-OG 2.88Å; H147-W194 AromaticContact NE2-CZ2 3.96Å |
| 148 | A | 96.8 | Very high | 96 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 136.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | S143 Q146 Y150 I162 L163 | S143-A148 WeakPolarHBondContact CB-O 3.5Å; S143-A148 PolarHBondContact N-O 3.39Å; Q146-A148 HydrophobicContact CG-CB 3.77Å; Q146-A148 PolarHBondContact O-N 2.93Å; A148-Y150 HydrophobicContact CB-CE2 4.06Å; A148-I162 HydrophobicContact CB-CG2 4.43Å; A148-L163 CarbonylContact C-O 3.56Å; A148-L163 VanDerWaalsContact CA-O 3.26Å; A148-L163 WeakPolarHBondContact CA-O 3.5Å |
| 149 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 133.2 | 176.3 | -49.1 | 178.6 | 0 | 0 | 0 | 108.7 | V140 I162 L163 L171 V174 I183 W194 | V140-L149 HydrophobicContact CG2-CB 3.93Å; L149-I162 CarbonylContact O-C 3.6Å; L149-I162 VanDerWaalsContact O-CA 3.32Å; L149-I162 WeakPolarHBondContact O-CA 3.41Å; L149-L163 HydrophobicContact CB-CB 4.17Å; L149-L163 HydrophobicContact CD1-CD1 4.34Å; L149-L163 PolarHBondContact N-O 2.97Å; L149-L163 PolarHBondContact O-N 2.81Å; L149-L171 HydrophobicContact CD2-CD1 4.08Å; L149-L171 HydrophobicContact CD2-CD2 3.65Å; L149-V174 HydrophobicContact CD2-CG1 4.31Å; L149-V174 HydrophobicContact CD2-CG2 3.55Å; L149-I183 HydrophobicContact CD1-CG2 3.93Å; L149-W194 HydrophobicContact CD1-CG 4.5Å |
| 150 | Y | 98.1 | Very high | 95.9 | Very high | 7 Ų | 7 | 39.9 Ų | 39.9 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 131.9 | 178.2 | -72.6 | -122.2 | 0 | 0 | 0 | 107.4 | D120 W127 V140 A141 A148 W152 L159 I162 | D120-Y150 HydrophobicContact CB-CE1 4.37Å; D120-Y150 PolarHBondContact OD2-OH 3.25Å; D120-Y150 VanDerWaalsContact OD2-OH 3.11Å; W127-Y150 AromaticContact CH2-CD1 3.98Å; W127-Y150 HydrophobicContact CH2-CD1 3.98Å; W127-Y150 HydrophobicContact CH2-CD2 4.04Å; W127-Y150 HydrophobicContact CH2-CE1 4.29Å; W127-Y150 HydrophobicContact CH2-CE2 4.38Å; W127-Y150 AromaticContact CH2-CG 3.85Å; W127-Y150 HydrophobicContact CH2-CG 3.85Å; W127-Y150 HydrophobicContact CZ3-CD1 4.49Å; W127-Y150 AromaticContact CZ3-CD2 3.75Å; W127-Y150 HydrophobicContact CZ3-CD2 3.75Å; W127-Y150 HydrophobicContact CZ3-CE2 4.25Å; W127-Y150 AromaticContact CZ3-CG 3.9Å; W127-Y150 HydrophobicContact CZ3-CG 3.9Å; V140-Y150 CarbonylContact C-O 3.58Å; V140-Y150 VanDerWaalsContact CA-O 3.28Å; V140-Y150 WeakPolarHBondContact CA-O 3.27Å; A141-Y150 PolarHBondContact N-O 2.8Å; A141-Y150 PolarHBondContact O-N 2.8Å; A148-Y150 HydrophobicContact CB-CE2 4.06Å; Y150-W152 HydrophobicContact CD1-CH2 4.01Å; Y150-W152 AromaticContact CD1-CZ2 3.98Å; Y150-W152 HydrophobicContact CD1-CZ2 3.98Å; Y150-W152 AromaticContact CG-CH2 3.85Å; Y150-W152 HydrophobicContact CG-CH2 3.85Å; Y150-W152 HydrophobicContact CG-CZ2 4.28Å; Y150-W152 HydrophobicContact CG-CZ3 4.41Å; Y150-W152 VanDerWaalsContact O-CZ3 3.27Å; Y150-W152 WeakPolarHBondContact O-CZ3 3.31Å; Y150-L159 HydrophobicContact CD1-CD1 3.8Å; Y150-L159 HydrophobicContact CD1-CD2 4.19Å; Y150-L159 HydrophobicContact CG-CD1 4.33Å; Y150-I162 HydrophobicContact CD1-CD1 4.1Å; Y150-I162 HydrophobicContact CD1-CG1 3.99Å; Y150-I162 HydrophobicContact CD2-CG2 4.3Å; Y150-I162 HydrophobicContact CE1-CD1 3.69Å; Y150-I162 HydrophobicContact CE1-CG1 4.09Å; Y150-I162 HydrophobicContact CE2-CG2 4.14Å; Y150-I162 HydrophobicContact CG-CG1 4.33Å |
| 151 | I | 98.1 | Very high | 95.8 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 9% | 0.087 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 121.3 | -178.1 | -57.2 | 174 | 0 | 0 | 0 | 107.9 | Y138 I139 V140 V160 K161 L163 W176 I183 | Y138-I151 HydrophobicContact CD1-CG2 4.3Å; I139-I151 WeakPolarHBondContact O-CA 3.47Å; V140-I151 HydrophobicContact CB-CG1 4.42Å; V140-I151 HydrophobicContact CG2-CG1 4.12Å; I151-V160 PolarHBondContact O-N 3.13Å; I151-K161 PolarHBondContact N-O 2.84Å; I151-K161 PolarHBondContact O-N 3.29Å; I151-L163 HydrophobicContact CD1-CD1 3.92Å; I151-L163 HydrophobicContact CD1-CG 4.21Å; I151-W176 HydrophobicContact CD1-CH2 4.41Å; I151-W176 HydrophobicContact CD1-CZ3 4.25Å; I151-W176 HydrophobicContact CG1-CZ3 4.4Å; I151-W176 HydrophobicContact CG2-CH2 4.39Å; I151-W176 HydrophobicContact CG2-CZ3 4.33Å; I151-I183 HydrophobicContact CD1-CD1 3.82Å; I151-I183 HydrophobicContact CG1-CD1 4.49Å |
| 152 | W | 98.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 152 | 173.4 | -65.2 | -97.9 | 0 | 0 | 0 | 110.9 | L118 W127 Y138 I139 A141 Y150 N158 L159 | L118-W152 HydrophobicContact CB-CD2 4.39Å; L118-W152 HydrophobicContact CD1-CB 3.92Å; L118-W152 HydrophobicContact CD1-CD2 4.21Å; L118-W152 HydrophobicContact CD1-CE3 4.38Å; L118-W152 HydrophobicContact CD1-CG 4.04Å; L118-W152 HydrophobicContact CD2-CB 4.04Å; L118-W152 HydrophobicContact CD2-CG 3.89Å; L118-W152 HydrophobicContact CG-CG 4.39Å; W127-W152 AromaticContact CH2-CH2 3.4Å; W127-W152 HydrophobicContact CH2-CH2 3.4Å; W127-W152 VanDerWaalsContact CH2-CH2 3.4Å; W127-W152 HydrophobicContact CH2-CZ2 4.01Å; W127-W152 HydrophobicContact CH2-CZ3 4.49Å; W127-W152 AromaticContact CZ2-CH2 3.64Å; W127-W152 HydrophobicContact CZ2-CH2 3.64Å; W127-W152 HydrophobicContact CZ2-CZ2 4.07Å; W127-W152 AromaticContact CZ3-CH2 3.88Å; W127-W152 HydrophobicContact CZ3-CH2 3.88Å; Y138-W152 CarbonylContact C-O 3.58Å; Y138-W152 VanDerWaalsContact CA-O 3.28Å; Y138-W152 WeakPolarHBondContact CA-O 3.24Å; I139-W152 PolarHBondContact N-O 2.79Å; I139-W152 PolarHBondContact O-N 3.28Å; A141-W152 HydrophobicContact CB-CH2 4.04Å; A141-W152 HydrophobicContact CB-CZ3 3.5Å; Y150-W152 HydrophobicContact CD1-CH2 4.01Å; Y150-W152 AromaticContact CD1-CZ2 3.98Å; Y150-W152 HydrophobicContact CD1-CZ2 3.98Å; Y150-W152 AromaticContact CG-CH2 3.85Å; Y150-W152 HydrophobicContact CG-CH2 3.85Å; Y150-W152 HydrophobicContact CG-CZ2 4.28Å; Y150-W152 HydrophobicContact CG-CZ3 4.41Å; Y150-W152 VanDerWaalsContact O-CZ3 3.27Å; Y150-W152 WeakPolarHBondContact O-CZ3 3.31Å; W152-N158 VanDerWaalsContact CA-O 3.26Å; W152-N158 WeakPolarHBondContact CA-O 3.35Å; W152-L159 HydrophobicContact CD2-CD1 3.99Å; W152-L159 HydrophobicContact CG-CD1 4.32Å; W152-L159 HydrophobicContact CZ2-CD1 4Å |
| 153 | E | 96.7 | Very high | 95.6 | Very high | 52 Ų | 52 | 49.9 Ų | 49.9 | 24% | 0.243 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 131.9 | 163.3 | -169.9 | -177.2 | 175.9 | 0 | 0 | 109.4 | Y138 S155 G157 N158 V160 | Y138-E153 HydrophobicContact CD1-CB 4.4Å; Y138-E153 HydrophobicContact CE1-CB 4.3Å; Y138-E153 HydrophobicContact CE1-CG 4.33Å; E153-S155 WeakPolarHBondContact CG-OG 3.27Å; E153-S155 PolarHBondContact OE1-OG 3.39Å; E153-G157 WeakPolarHBondContact O-CA 3.37Å; E153-G157 PolarHBondContact O-N 2.52Å; E153-N158 PolarHBondContact N-O 2.9Å; E153-V160 HydrophobicContact CB-CG2 3.97Å |
| 154 | K | 93.8 | Very high | 95.6 | Very high | 37 Ų | 37 | 56 Ų | 56 | 16% | 0.161 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -44.7 | -176.7 | 171.4 | -168.4 | 145.6 | -154.4 | 0 | 112.4 | C85 G136 E137 | C85-K154 WeakPolarHBondContact SG-CE 3.03Å; C85-K154 PolarHBondContact SG-NZ 2.89Å; G136-K154 WeakPolarHBondContact O-CD 3.31Å; E137-K154 WeakPolarHBondContact O-CB 3.44Å; E137-K154 PolarHBondContact O-N 3.11Å; E137-K154 IonicContact OE1-NZ 3.74Å; E137-K154 PolarHBondContact OE1-NZ 2.83Å |
| 155 | S | 91.9 | Very high | 95.5 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 50% | 0.503 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -53.9 | -173.8 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | E153 | E153-S155 WeakPolarHBondContact CG-OG 3.27Å; E153-S155 PolarHBondContact OE1-OG 3.39Å |
| 156 | I | 92.8 | Very high | 95.5 | Very high | 100 Ų | 100 | 52.3 Ų | 52.3 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -29.6 | -176.5 | -50.2 | 176.8 | 0 | 0 | 0 | 111.4 | Q116 N158 | Q116-I156 PolarHBondContact NE2-O 3.06Å; Q116-I156 VanDerWaalsContact NE2-O 3.1Å; I156-N158 VanDerWaalsContact C-N 3.33Å; I156-N158 HydrophobicContact CG2-CB 4.41Å; I156-N158 VanDerWaalsContact CG2-ND2 3.28Å; I156-N158 WeakPolarHBondContact CG2-ND2 3.43Å |
| 157 | G | 92.4 | Very high | 95.5 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 17% | 0.165 | 31% | 0.306 | C | S | . | . | trans | 80.6 | 10.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | E153 | E153-G157 WeakPolarHBondContact O-CA 3.37Å; E153-G157 PolarHBondContact O-N 2.52Å | ||
| 158 | N | 94.7 | Very high | 95.2 | Very high | 94 Ų | 94 | 63.7 Ų | 63.7 | 50% | 0.503 | 34% | 0.343 | S | S | . | . | trans | -75.3 | 142.5 | -179.9 | -75.1 | -17.9 | 0 | 0 | 0 | 111.2 | W152 E153 I156 V160 | W152-N158 VanDerWaalsContact CA-O 3.26Å; W152-N158 WeakPolarHBondContact CA-O 3.35Å; E153-N158 PolarHBondContact N-O 2.9Å; I156-N158 VanDerWaalsContact C-N 3.33Å; I156-N158 HydrophobicContact CG2-CB 4.41Å; I156-N158 VanDerWaalsContact CG2-ND2 3.28Å; I156-N158 WeakPolarHBondContact CG2-ND2 3.43Å; N158-V160 PolarHBondContact O-N 2.66Å | ||
| 159 | L | 96.6 | Very high | 95 | Very high | 82 Ų | 82 | 65.6 Ų | 65.6 | 43% | 0.429 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 111.9 | 171.4 | -179.4 | 69.2 | 0 | 0 | 0 | 108.6 | Y150 W152 I162 | Y150-L159 HydrophobicContact CD1-CD1 3.8Å; Y150-L159 HydrophobicContact CD1-CD2 4.19Å; Y150-L159 HydrophobicContact CG-CD1 4.33Å; W152-L159 HydrophobicContact CD2-CD1 3.99Å; W152-L159 HydrophobicContact CG-CD1 4.32Å; W152-L159 HydrophobicContact CZ2-CD1 4Å; L159-I162 HydrophobicContact CD1-CG1 4.43Å; L159-I162 HydrophobicContact CD2-CD1 4Å; L159-I162 HydrophobicContact CD2-CG1 3.97Å; L159-I162 HydrophobicContact CG-CG1 4.5Å |
| 160 | V | 96.1 | Very high | 94.8 | Very high | 83 Ų | 83 | 70.6 Ų | 70.6 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | -50.3 | -177.1 | -179.3 | 0 | 0 | 0 | 0 | 110.5 | Y138 I151 E153 N158 | Y138-V160 HydrophobicContact CD1-CG2 4.4Å; Y138-V160 HydrophobicContact CE1-CG2 4.19Å; I151-V160 PolarHBondContact O-N 3.13Å; E153-V160 HydrophobicContact CB-CG2 3.97Å; N158-V160 PolarHBondContact O-N 2.66Å |
| 161 | K | 95.7 | Very high | 94.7 | Very high | 127 Ų | 127 | 70.5 Ų | 70.5 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 150.2 | -174.3 | -162.7 | 164.9 | -175.6 | 171.5 | 0 | 112.3 | I151 L163 | I151-K161 PolarHBondContact N-O 2.84Å; I151-K161 PolarHBondContact O-N 3.29Å; K161-L163 HydrophobicContact CD-CD2 3.98Å; K161-L163 HydrophobicContact CG-CD2 4.13Å |
| 162 | I | 96.8 | Very high | 94.6 | Very high | 59 Ų | 59 | 74.1 Ų | 74.1 | 30% | 0.303 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.8 | 166.3 | -54.3 | 175.8 | 0 | 0 | 0 | 108 | A148 L149 Y150 L159 | A148-I162 HydrophobicContact CB-CG2 4.43Å; L149-I162 CarbonylContact O-C 3.6Å; L149-I162 VanDerWaalsContact O-CA 3.32Å; L149-I162 WeakPolarHBondContact O-CA 3.41Å; Y150-I162 HydrophobicContact CD1-CD1 4.1Å; Y150-I162 HydrophobicContact CD1-CG1 3.99Å; Y150-I162 HydrophobicContact CD2-CG2 4.3Å; Y150-I162 HydrophobicContact CE1-CD1 3.69Å; Y150-I162 HydrophobicContact CE1-CG1 4.09Å; Y150-I162 HydrophobicContact CE2-CG2 4.14Å; Y150-I162 HydrophobicContact CG-CG1 4.33Å; L159-I162 HydrophobicContact CD1-CG1 4.43Å; L159-I162 HydrophobicContact CD2-CD1 4Å; L159-I162 HydrophobicContact CD2-CG1 3.97Å; L159-I162 HydrophobicContact CG-CG1 4.5Å |
| 163 | L | 96.9 | Very high | 94.6 | Very high | 25 Ų | 25 | 76.6 Ų | 76.6 | 13% | 0.131 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.6 | 172.8 | -54.8 | 178 | 0 | 0 | 0 | 108.7 | A148 L149 I151 K161 I183 W194 | A148-L163 CarbonylContact C-O 3.56Å; A148-L163 VanDerWaalsContact CA-O 3.26Å; A148-L163 WeakPolarHBondContact CA-O 3.5Å; L149-L163 HydrophobicContact CB-CB 4.17Å; L149-L163 HydrophobicContact CD1-CD1 4.34Å; L149-L163 PolarHBondContact N-O 2.97Å; L149-L163 PolarHBondContact O-N 2.81Å; I151-L163 HydrophobicContact CD1-CD1 3.92Å; I151-L163 HydrophobicContact CD1-CG 4.21Å; K161-L163 HydrophobicContact CD-CD2 3.98Å; K161-L163 HydrophobicContact CG-CD2 4.13Å; L163-I183 HydrophobicContact CD1-CD1 4.09Å; L163-W194 HydrophobicContact CB-CD2 4.35Å; L163-W194 HydrophobicContact CB-CE3 3.97Å; L163-W194 HydrophobicContact CB-CH2 4.41Å; L163-W194 HydrophobicContact CB-CZ3 4Å; L163-W194 HydrophobicContact CD1-CB 4.02Å; L163-W194 HydrophobicContact CD1-CD2 3.98Å; L163-W194 HydrophobicContact CD1-CE3 3.99Å; L163-W194 HydrophobicContact CD1-CG 3.99Å; L163-W194 HydrophobicContact CD2-CE3 4.43Å; L163-W194 HydrophobicContact CG-CE3 4.36Å |
| 164 | H | 96.3 | Very high | 94.6 | Very high | 128 Ų | 128 | 74.2 Ų | 74.2 | 59% | 0.593 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115 | 179.2 | -68.5 | -71.9 | 0 | 0 | 0 | 110.1 | W194 | H164-W194 WeakPolarHBondContact O-CH2 3.09Å |
| 165 | G | 92.6 | Very high | 94.8 | Very high | 21 Ų | 21 | 75 Ų | 75 | 22% | 0.216 | 41% | 0.414 | C | S | . | . | trans | -82.6 | -166.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | H147 R167 | H147-G165 WeakPolarHBondContact O-CA 3.49Å; H147-G165 PolarHBondContact O-N 2.79Å; G165-R167 PolarHBondContact O-N 2.81Å | ||
| 166 | T | 93.8 | Very high | 95 | Very high | 80 Ų | 80 | 73.4 Ų | 73.4 | 49% | 0.491 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -57.2 | 123.8 | -179.1 | -48.5 | 0 | 0 | 0 | 0 | 111.3 | H147 G168 E169 | H147-T166 PolarHBondContact ND1-N 2.8Å; T166-G168 PolarHBondContact O-N 2.67Å; T166-E169 WeakPolarHBondContact CB-OE2 3.41Å; T166-E169 HydrophobicContact CG2-CG 3.96Å; T166-E169 PolarHBondContact O-N 3.04Å |
| 167 | R | 92.8 | Very high | 95 | Very high | 250 Ų | 250 | 72 Ų | 72 | 94% | 0.943 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 133 | -178.6 | -175 | 178 | 178.8 | 172.6 | 0.9 | 110.8 | G165 E169 | G165-R167 PolarHBondContact O-N 2.81Å; R167-E169 VanDerWaalsContact C-N 3.35Å |
| 168 | G | 89.8 | Confident | 94.8 | Very high | 79 Ų | 79 | 72.9 Ų | 72.9 | 81% | 0.814 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | T166 | T166-G168 PolarHBondContact O-N 2.67Š|
| 169 | E | 93.9 | Very high | 94.4 | Very high | 40 Ų | 40 | 71.1 Ų | 71.1 | 19% | 0.187 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -88.1 | 153.1 | 174.1 | -57.4 | -161.9 | 135.8 | 0 | 0 | 112.3 | Q146 H147 T166 R167 S187 S188 | Q146-E169 CarbonylContact C-O 3.45Å; H147-E169 HydrophobicContact CB-CB 4.19Å; H147-E169 PolarHBondContact N-O 2.93Å; H147-E169 IonicContact ND1-OE2 2.78Å; T166-E169 WeakPolarHBondContact CB-OE2 3.41Å; T166-E169 HydrophobicContact CG2-CG 3.96Å; T166-E169 PolarHBondContact O-N 3.04Å; R167-E169 VanDerWaalsContact C-N 3.35Å; E169-S187 WeakPolarHBondContact OE2-CB 3.43Å; E169-S187 PolarHBondContact OE2-OG 3.25Å; E169-S188 VanDerWaalsContact OE1-CB 3.3Å; E169-S188 WeakPolarHBondContact OE1-CB 3.41Å; E169-S188 PolarHBondContact OE1-OG 3.41Å |
| 170 | L | 93.6 | Very high | 94.1 | Very high | 104 Ų | 104 | 74.8 Ų | 74.8 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -101.8 | 132.3 | 173.8 | -63.2 | 179.2 | 0 | 0 | 0 | 109.7 | R145 S187 | R145-L170 WeakPolarHBondContact O-CD2 3.3Å; L170-S187 WeakPolarHBondContact O-CB 3.38Å |
| 171 | L | 96.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 74.4 Ų | 74.4 | 3% | 0.026 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 133.6 | 174.1 | -174.2 | 73 | 0 | 0 | 0 | 110.4 | S143 L149 V174 | S143-L171 WeakPolarHBondContact O-CB 3.28Å; L149-L171 HydrophobicContact CD2-CD1 4.08Å; L149-L171 HydrophobicContact CD2-CD2 3.65Å; L171-V174 HydrophobicContact CD1-CG2 4.07Å; L171-V174 HydrophobicContact CD2-CG2 3.63Å; L171-V174 HydrophobicContact CG-CG2 4.16Å |
| 172 | L | 95.9 | Very high | 93.9 | Very high | 93 Ų | 93 | 70.4 Ų | 70.4 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | -50.4 | 178 | -62.4 | 179.4 | 0 | 0 | 0 | 111.6 | K128 I186 | K128-L172 WeakPolarHBondContact CG-O 3.29Å; L172-I186 HydrophobicContact CB-CB 4.48Å; L172-I186 HydrophobicContact CB-CG2 4.43Å; L172-I186 HydrophobicContact CD1-CG2 4.35Å; L172-I186 PolarHBondContact N-O 3.38Å |
| 173 | D | 96.9 | Very high | 93.9 | Very high | 62 Ų | 62 | 67.9 Ų | 67.9 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 161.1 | -175.9 | -156.9 | 11.1 | 0 | 0 | 0 | 112.3 | K129 S185 I186 | K129-D173 VanDerWaalsContact CG-OD1 3.24Å; K129-D173 WeakPolarHBondContact CG-OD1 3.19Å; K129-D173 IonicContact NZ-OD1 3.23Å; K129-D173 PolarHBondContact NZ-OD1 2.83Å; K129-D173 IonicContact NZ-OD2 2.89Å; D173-S185 WeakPolarHBondContact O-CA 3.4Å; D173-I186 HydrophobicContact CB-CB 4.49Å; D173-I186 HydrophobicContact CB-CD1 4.33Å; D173-I186 HydrophobicContact CB-CG1 4.48Å; D173-I186 PolarHBondContact O-N 3.24Å |
| 174 | V | 97.6 | Very high | 94 | Very high | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 135.8 | 179.9 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | K129 V140 L149 L171 I183 A184 | K129-V174 HydrophobicContact CB-CB 4.44Å; K129-V174 HydrophobicContact CB-CG2 4.46Å; K129-V174 HydrophobicContact CG-CB 4.22Å; V140-V174 HydrophobicContact CG1-CG1 3.88Å; V140-V174 HydrophobicContact CG2-CG1 4.27Å; L149-V174 HydrophobicContact CD2-CG1 4.31Å; L149-V174 HydrophobicContact CD2-CG2 3.55Å; L171-V174 HydrophobicContact CD1-CG2 4.07Å; L171-V174 HydrophobicContact CD2-CG2 3.63Å; L171-V174 HydrophobicContact CG-CG2 4.16Å; V174-I183 HydrophobicContact CG1-CG2 3.76Å; V174-A184 WeakPolarHBondContact CA-O 3.48Å |
| 175 | A | 97.2 | Very high | 94 | Very high | 54 Ų | 54 | 62 Ų | 62 | 45% | 0.446 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 139.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | I183 A184 | A175-I183 CarbonylContact O-C 3.6Å; A175-I183 WeakPolarHBondContact O-CA 3.47Å; A175-I183 WeakPolarHBondContact O-CG2 3.04Å; A175-A184 PolarHBondContact N-O 2.9Å; A175-A184 PolarHBondContact O-N 3.42Å |
| 176 | W | 96 | Very high | 94.3 | Very high | 37 Ų | 37 | 63.8 Ų | 63.8 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 135.8 | 173.9 | -164.5 | -65.5 | 0 | 0 | 0 | 109.3 | F132 V140 I151 R180 I183 | F132-W176 WeakPolarHBondContact O-CB 3.47Å; V140-W176 HydrophobicContact CB-CE3 3.85Å; V140-W176 HydrophobicContact CB-CZ3 3.96Å; V140-W176 HydrophobicContact CG1-CE3 3.7Å; V140-W176 HydrophobicContact CG1-CZ3 4.34Å; I151-W176 HydrophobicContact CD1-CH2 4.41Å; I151-W176 HydrophobicContact CD1-CZ3 4.25Å; I151-W176 HydrophobicContact CG1-CZ3 4.4Å; I151-W176 HydrophobicContact CG2-CH2 4.39Å; I151-W176 HydrophobicContact CG2-CZ3 4.33Å; W176-R180 PolarHBondContact NE1-O 2.88Å; W176-I183 HydrophobicContact CD2-CD1 4.24Å; W176-I183 HydrophobicContact CD2-CG1 3.77Å; W176-I183 HydrophobicContact CE3-CD1 3.52Å; W176-I183 HydrophobicContact CE3-CG1 3.54Å; W176-I183 HydrophobicContact CG-CG1 4.41Å; W176-I183 HydrophobicContact CH2-CD1 3.89Å; W176-I183 HydrophobicContact CH2-CG1 4.26Å; W176-I183 HydrophobicContact CZ2-CG1 4.45Å; W176-I183 HydrophobicContact CZ3-CD1 3.32Å; W176-I183 HydrophobicContact CZ3-CG1 3.82Å |
| 177 | H | 93.6 | Very high | 94.4 | Very high | 70 Ų | 70 | 60 Ų | 60 | 32% | 0.324 | 32% | 0.32 | S | S | . | . | trans | -70.6 | 128.7 | 179.6 | -175 | -80.3 | 0 | 0 | 0 | 111.2 | V179 R180 I182 | H177-V179 VanDerWaalsContact C-N 3.28Å; H177-V179 VanDerWaalsContact CE1-CG2 3.43Å; H177-V179 WeakPolarHBondContact CE1-CG2 3.4Å; H177-V179 PolarHBondContact ND1-N 3.21Å; H177-V179 PolarHBondContact O-N 3.39Å; H177-V179 VanDerWaalsContact O-N 3.09Å; H177-R180 WeakPolarHBondContact ND1-CB 3.28Å; H177-R180 PolarHBondContact ND1-N 3.13Å; H177-R180 VanDerWaalsContact ND1-N 3.11Å; H177-I182 HydrophobicContact CB-CB 3.83Å; H177-I182 VanDerWaalsContact CB-O 3.25Å; H177-I182 WeakPolarHBondContact CB-O 3.26Å; H177-I182 PolarHBondContact N-O 2.52Å | ||
| 178 | P | 87.9 | Confident | 94.3 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 23% | 0.234 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -26.3 | -167.2 | 21.7 | -33.3 | 0 | 0 | 0 | 116.3 | R81 G134 | R81-P178 VanDerWaalsContact NH1-CB 3.34Å; G134-P178 WeakPolarHBondContact CA-O 3.28Å |
| 179 | V | 86.2 | Confident | 94.4 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 35% | 0.345 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.8 | 4.9 | -175.1 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | H177 A258 F259 | H177-V179 VanDerWaalsContact C-N 3.28Å; H177-V179 VanDerWaalsContact CE1-CG2 3.43Å; H177-V179 WeakPolarHBondContact CE1-CG2 3.4Å; H177-V179 PolarHBondContact ND1-N 3.21Å; H177-V179 PolarHBondContact O-N 3.39Å; H177-V179 VanDerWaalsContact O-N 3.09Å; V179-A258 HydrophobicContact CB-CB 3.94Å; V179-A258 HydrophobicContact CG1-CB 3.59Å; V179-F259 HydrophobicContact CG1-CD1 3.73Å; V179-F259 HydrophobicContact CG1-CE1 3.21Å; V179-F259 HydrophobicContact CG1-CE2 4.49Å; V179-F259 HydrophobicContact CG1-CZ 3.63Å; V179-F259 HydrophobicContact CG2-CZ 4.38Å |
| 180 | R | 89.6 | Confident | 94.5 | Very high | 159 Ų | 159 | 53.2 Ų | 53.2 | 60% | 0.6 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -137.1 | 149 | -178.7 | -64.5 | -177 | 178.9 | 177.6 | -0.6 | 109.1 | W176 H177 I182 | W176-R180 PolarHBondContact NE1-O 2.88Å; H177-R180 WeakPolarHBondContact ND1-CB 3.28Å; H177-R180 PolarHBondContact ND1-N 3.13Å; H177-R180 VanDerWaalsContact ND1-N 3.11Å; R180-I182 HydrophobicContact CB-CD1 3.87Å; R180-I182 HydrophobicContact CB-CG1 3.92Å; R180-I182 PolarHBondContact O-N 3.36Å |
| 181 | P | 92.6 | Very high | 94.6 | Very high | 74 Ų | 74 | 52.3 Ų | 52.3 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -75.3 | 61.2 | 174.7 | 33.1 | -36.3 | 0 | 0 | 0 | 110.6 | ||
| 182 | I | 95.8 | Very high | 94.6 | Very high | 44 Ų | 44 | 53.6 Ų | 53.6 | 23% | 0.226 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.4 | -179.9 | -57.9 | 174.1 | 0 | 0 | 0 | 108.2 | H177 R180 I193 W194 A195 | H177-I182 HydrophobicContact CB-CB 3.83Å; H177-I182 VanDerWaalsContact CB-O 3.25Å; H177-I182 WeakPolarHBondContact CB-O 3.26Å; H177-I182 PolarHBondContact N-O 2.52Å; R180-I182 HydrophobicContact CB-CD1 3.87Å; R180-I182 HydrophobicContact CB-CG1 3.92Å; R180-I182 PolarHBondContact O-N 3.36Å; I182-I193 HydrophobicContact CG2-CG2 3.53Å; I182-W194 CarbonylContact C-O 3.57Å; I182-W194 VanDerWaalsContact CA-O 3.24Å; I182-W194 WeakPolarHBondContact CA-O 3.39Å; I182-A195 HydrophobicContact CG1-CB 4.07Å |
| 183 | I | 97.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 134.3 | 176 | -50 | 173.4 | 0 | 0 | 0 | 108.1 | V140 L149 I151 L163 V174 A175 W176 I193 W194 | V140-I183 HydrophobicContact CG2-CD1 4.33Å; L149-I183 HydrophobicContact CD1-CG2 3.93Å; I151-I183 HydrophobicContact CD1-CD1 3.82Å; I151-I183 HydrophobicContact CG1-CD1 4.49Å; L163-I183 HydrophobicContact CD1-CD1 4.09Å; V174-I183 HydrophobicContact CG1-CG2 3.76Å; A175-I183 CarbonylContact O-C 3.6Å; A175-I183 WeakPolarHBondContact O-CA 3.47Å; A175-I183 WeakPolarHBondContact O-CG2 3.04Å; W176-I183 HydrophobicContact CD2-CD1 4.24Å; W176-I183 HydrophobicContact CD2-CG1 3.77Å; W176-I183 HydrophobicContact CE3-CD1 3.52Å; W176-I183 HydrophobicContact CE3-CG1 3.54Å; W176-I183 HydrophobicContact CG-CG1 4.41Å; W176-I183 HydrophobicContact CH2-CD1 3.89Å; W176-I183 HydrophobicContact CH2-CG1 4.26Å; W176-I183 HydrophobicContact CZ2-CG1 4.45Å; W176-I183 HydrophobicContact CZ3-CD1 3.32Å; W176-I183 HydrophobicContact CZ3-CG1 3.82Å; I183-I193 WeakPolarHBondContact O-CA 3.48Å; I183-W194 HydrophobicContact CB-CB 4.11Å; I183-W194 HydrophobicContact CB-CG 4.42Å; I183-W194 PolarHBondContact N-O 2.85Å; I183-W194 VanDerWaalsContact O-CD1 3.3Å; I183-W194 PolarHBondContact O-N 3.15Å |
| 184 | A | 97.9 | Very high | 94.6 | Very high | 30 Ų | 30 | 54.1 Ų | 54.1 | 25% | 0.248 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 128.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109 | V174 A175 V191 S192 I193 | V174-A184 WeakPolarHBondContact CA-O 3.48Å; A175-A184 PolarHBondContact N-O 2.9Å; A175-A184 PolarHBondContact O-N 3.42Å; A184-V191 HydrophobicContact CB-CG1 4.31Å; A184-S192 WeakPolarHBondContact CA-O 3.26Å; A184-I193 HydrophobicContact CB-CD1 3.92Å |
| 185 | S | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 147.6 | 170.7 | 64.7 | 0 | 0 | 0 | 0 | 110.9 | H147 D173 V191 S192 W194 | H147-S185 PolarHBondContact NE2-OG 2.8Å; D173-S185 WeakPolarHBondContact O-CA 3.4Å; S185-V191 CarbonylContact O-C 3.58Å; S185-V191 WeakPolarHBondContact O-CA 3.41Å; S185-S192 PolarHBondContact N-O 2.83Å; S185-S192 PolarHBondContact O-N 2.85Å; S185-W194 PolarHBondContact OG-NE1 2.9Å |
| 186 | I | 97.3 | Very high | 93.9 | Very high | 58 Ų | 58 | 61 Ų | 61 | 30% | 0.297 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 121.6 | 178.5 | -51.7 | -175.2 | 0 | 0 | 0 | 109.1 | L172 D173 V190 V191 | L172-I186 HydrophobicContact CB-CB 4.48Å; L172-I186 HydrophobicContact CB-CG2 4.43Å; L172-I186 HydrophobicContact CD1-CG2 4.35Å; L172-I186 PolarHBondContact N-O 3.38Å; D173-I186 HydrophobicContact CB-CB 4.49Å; D173-I186 HydrophobicContact CB-CD1 4.33Å; D173-I186 HydrophobicContact CB-CG1 4.48Å; D173-I186 PolarHBondContact O-N 3.24Å; I186-V190 WeakPolarHBondContact CA-O 3.38Å; I186-V191 HydrophobicContact CG1-CG2 4.21Å |
| 187 | S | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 137.4 | 172 | 62.3 | 0 | 0 | 0 | 0 | 109.7 | H147 E169 L170 G189 V190 | H147-S187 PolarHBondContact CE1-OG 2.81Å; H147-S187 PolarHBondContact ND1-OG 2.88Å; E169-S187 WeakPolarHBondContact OE2-CB 3.43Å; E169-S187 PolarHBondContact OE2-OG 3.25Å; L170-S187 WeakPolarHBondContact O-CB 3.38Å; S187-G189 PolarHBondContact O-N 2.81Å; S187-V190 PolarHBondContact N-O 2.89Å; S187-V190 WeakPolarHBondContact O-CA 3.37Å; S187-V190 PolarHBondContact O-N 3.2Å; S187-V190 VanDerWaalsContact O-O 3.14Å |
| 188 | S | 92.3 | Very high | 92.7 | Very high | 77 Ų | 77 | 69.8 Ų | 69.8 | 54% | 0.538 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 24.5 | 177.4 | -50.5 | 0 | 0 | 0 | 0 | 115.8 | E169 V190 | E169-S188 VanDerWaalsContact OE1-CB 3.3Å; E169-S188 WeakPolarHBondContact OE1-CB 3.41Å; E169-S188 PolarHBondContact OE1-OG 3.41Å; S188-V190 VanDerWaalsContact C-N 3.29Å |
| 189 | G | 91.2 | Very high | 92.4 | Very high | 67 Ų | 67 | 74.1 Ų | 74.1 | 69% | 0.691 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 3.4 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | S187 | S187-G189 PolarHBondContact O-N 2.81Š|
| 190 | V | 95 | Very high | 92.1 | Very high | 83 Ų | 83 | 79 Ų | 79 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 136.5 | 173 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | I186 S187 S188 | I186-V190 WeakPolarHBondContact CA-O 3.38Å; S187-V190 PolarHBondContact N-O 2.89Å; S187-V190 WeakPolarHBondContact O-CA 3.37Å; S187-V190 PolarHBondContact O-N 3.2Å; S187-V190 VanDerWaalsContact O-O 3.14Å; S188-V190 VanDerWaalsContact C-N 3.29Å |
| 191 | V | 96.9 | Very high | 91.5 | Very high | 86 Ų | 86 | 75.2 Ų | 75.2 | 52% | 0.521 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 118.5 | 172.7 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | A184 S185 I186 I193 | A184-V191 HydrophobicContact CB-CG1 4.31Å; S185-V191 CarbonylContact O-C 3.58Å; S185-V191 WeakPolarHBondContact O-CA 3.41Å; I186-V191 HydrophobicContact CG1-CG2 4.21Å; V191-I193 HydrophobicContact CG1-CD1 4.14Å |
| 192 | S | 95.9 | Very high | 90.8 | Very high | 31 Ų | 31 | 80 Ų | 80 | 22% | 0.217 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 137.1 | 172.1 | -66 | 0 | 0 | 0 | 0 | 110.2 | A184 S185 | A184-S192 WeakPolarHBondContact CA-O 3.26Å; S185-S192 PolarHBondContact N-O 2.83Å; S185-S192 PolarHBondContact O-N 2.85Å |
| 193 | I | 96.9 | Very high | 90 | Very high | 110 Ų | 110 | 79.7 Ų | 79.7 | 56% | 0.564 | 44% | 0.443 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 123.6 | 174.8 | -55.5 | -58.2 | 0 | 0 | 0 | 108.8 | I182 I183 A184 V191 | I182-I193 HydrophobicContact CG2-CG2 3.53Å; I183-I193 WeakPolarHBondContact O-CA 3.48Å; A184-I193 HydrophobicContact CB-CD1 3.92Å; V191-I193 HydrophobicContact CG1-CD1 4.14Å |
| 194 | W | 96.2 | Very high | 89.3 | Confident | 57 Ų | 57 | 83.6 Ų | 83.6 | 22% | 0.216 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 116.6 | 175.5 | -48.2 | 85.1 | 0 | 0 | 0 | 107.7 | H147 L149 L163 H164 I182 I183 S185 | H147-W194 AromaticContact NE2-CZ2 3.96Å; L149-W194 HydrophobicContact CD1-CG 4.5Å; L163-W194 HydrophobicContact CB-CD2 4.35Å; L163-W194 HydrophobicContact CB-CE3 3.97Å; L163-W194 HydrophobicContact CB-CH2 4.41Å; L163-W194 HydrophobicContact CB-CZ3 4Å; L163-W194 HydrophobicContact CD1-CB 4.02Å; L163-W194 HydrophobicContact CD1-CD2 3.98Å; L163-W194 HydrophobicContact CD1-CE3 3.99Å; L163-W194 HydrophobicContact CD1-CG 3.99Å; L163-W194 HydrophobicContact CD2-CE3 4.43Å; L163-W194 HydrophobicContact CG-CE3 4.36Å; H164-W194 WeakPolarHBondContact O-CH2 3.09Å; I182-W194 CarbonylContact C-O 3.57Å; I182-W194 VanDerWaalsContact CA-O 3.24Å; I182-W194 WeakPolarHBondContact CA-O 3.39Å; I183-W194 HydrophobicContact CB-CB 4.11Å; I183-W194 HydrophobicContact CB-CG 4.42Å; I183-W194 PolarHBondContact N-O 2.85Å; I183-W194 VanDerWaalsContact O-CD1 3.3Å; I183-W194 PolarHBondContact O-N 3.15Å; S185-W194 PolarHBondContact OG-NE1 2.9Å |
| 195 | A | 93.7 | Very high | 88.7 | Confident | 64 Ų | 64 | 90 Ų | 90 | 53% | 0.529 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 155.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | I182 N197 | I182-A195 HydrophobicContact CG1-CB 4.07Å; A195-N197 PolarHBondContact O-N 2.82Å |
| 196 | Q | 86.4 | Confident | 88.2 | Confident | 136 Ų | 136 | 92 Ų | 92 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -67.7 | 125.9 | 165.7 | -174.6 | 169.2 | 11 | 0 | 0 | 108.5 | Q198 | Q196-Q198 PolarHBondContact O-N 2.81Š|
| 197 | N | 83.8 | Confident | 87.7 | Confident | 148 Ų | 148 | 95.4 Ų | 95.4 | 79% | 0.791 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -68.5 | 121.5 | 173.8 | -158.9 | 26.9 | 0 | 0 | 0 | 107.8 | A195 V199 | A195-N197 PolarHBondContact O-N 2.82Å; N197-V199 PolarHBondContact O-N 2.75Å |
| 198 | Q | 79.3 | Confident | 87.2 | Confident | 144 Ų | 144 | 103.5 Ų | 103.5 | 67% | 0.673 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 123.7 | 173.8 | -64.1 | -62.3 | -28.2 | 0 | 0 | 107 | Q196 E200 | Q196-Q198 PolarHBondContact O-N 2.81Å; Q198-E200 PolarHBondContact O-N 2.78Å |
| 199 | V | 81.9 | Confident | 86.9 | Confident | 126 Ų | 126 | 104.9 Ų | 104.9 | 76% | 0.764 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 117.8 | 169.9 | -179.1 | 0 | 0 | 0 | 0 | 105.8 | N197 N201 | N197-V199 PolarHBondContact O-N 2.75Å; V199-N201 PolarHBondContact O-N 2.97Å; V199-N201 VanDerWaalsContact O-N 3.14Å |
| 200 | E | 81.2 | Confident | 86.6 | Confident | 161 Ų | 161 | 109.8 Ų | 109.8 | 75% | 0.752 | 58% | 0.584 | S | S | * | * | trans | -63.4 | 115.1 | 177 | -66.1 | -179.8 | 160.6 | 0 | 0 | 108.5 | Q198 | Q198-E200 PolarHBondContact O-N 2.78Š| ||
| 201 | N | 75.9 | Confident | 86.1 | Confident | 78 Ų | 78 | 111 Ų | 111 | 42% | 0.417 | 58% | 0.584 | S | S | . | * | trans | -85.1 | 122.2 | 178.8 | -169 | -20.9 | 0 | 0 | 0 | 109.3 | V199 S203 A204 | V199-N201 PolarHBondContact O-N 2.97Å; V199-N201 VanDerWaalsContact O-N 3.14Å; N201-S203 PolarHBondContact ND2-OG 2.82Å; N201-S203 VanDerWaalsContact ND2-OG 3.15Å; N201-S203 PolarHBondContact O-N 2.89Å; N201-S203 WeakPolarHBondContact OD1-CB 3.43Å; N201-S203 PolarHBondContact OD1-N 3.23Å; N201-S203 PolarHBondContact OD1-OG 3.32Å; N201-A204 WeakPolarHBondContact O-CB 3.27Å; N201-A204 PolarHBondContact O-N 3.32Å; N201-A204 VanDerWaalsContact O-N 3.14Å | ||
| 202 | W | 77.9 | Confident | 85.5 | Confident | 174 Ų | 174 | 111.6 Ų | 111.6 | 66% | 0.659 | 58% | 0.583 | S | S | * | * | G | 310 helix | trans | -68.5 | -19.8 | -179.1 | -70 | 72 | 0 | 0 | 0 | 112.6 | A204 F205 F209 | W202-A204 PolarHBondContact O-N 3.19Å; W202-F205 PolarHBondContact O-N 3.18Å; W202-F205 VanDerWaalsContact O-N 3.15Å; W202-F209 HydrophobicContact CB-CD1 4.41Å; W202-F209 HydrophobicContact CB-CE1 3.92Å |
| 203 | S | 80.3 | Confident | 85.1 | Confident | 38 Ų | 38 | 118.2 Ų | 118.2 | 27% | 0.266 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -62.6 | -20.9 | 172 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | N201 F205 A206 F209 | N201-S203 PolarHBondContact ND2-OG 2.82Å; N201-S203 VanDerWaalsContact ND2-OG 3.15Å; N201-S203 PolarHBondContact O-N 2.89Å; N201-S203 WeakPolarHBondContact OD1-CB 3.43Å; N201-S203 PolarHBondContact OD1-N 3.23Å; N201-S203 PolarHBondContact OD1-OG 3.32Å; S203-F205 PolarHBondContact O-N 3.49Å; S203-A206 CarbonylContact O-C 3.39Å; S203-A206 PolarHBondContact O-N 2.86Å; S203-F209 WeakPolarHBondContact CA-O 3.26Å; S203-F209 WeakPolarHBondContact CB-O 3.32Å |
| 204 | A | 82.6 | Confident | 84.8 | Confident | 88 Ų | 88 | 120.7 Ų | 120.7 | 73% | 0.727 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -67.2 | -19.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N201 W202 | N201-A204 WeakPolarHBondContact O-CB 3.27Å; N201-A204 PolarHBondContact O-N 3.32Å; N201-A204 VanDerWaalsContact O-N 3.14Å; W202-A204 PolarHBondContact O-N 3.19Å |
| 205 | F | 85.3 | Confident | 84.6 | Confident | 164 Ų | 164 | 126.1 Ų | 126.1 | 72% | 0.719 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -83.3 | -22.6 | 178.6 | -67.5 | -76.7 | 0 | 0 | 0 | 113.5 | W202 S203 | W202-F205 PolarHBondContact O-N 3.18Å; W202-F205 VanDerWaalsContact O-N 3.15Å; S203-F205 PolarHBondContact O-N 3.49Å |
| 206 | A | 86.6 | Confident | 84.6 | Confident | 42 Ų | 42 | 128 Ų | 128 | 35% | 0.347 | 66% | 0.664 | S | S | . | * | trans | -148.5 | 115.3 | -179 | 0 | 0 | 0 | 0 | 0 | 109.7 | S203 D208 F209 | S203-A206 CarbonylContact O-C 3.39Å; S203-A206 PolarHBondContact O-N 2.86Å; A206-D208 PolarHBondContact O-N 2.9Å; A206-D208 VanDerWaalsContact O-N 3.13Å; A206-F209 HydrophobicContact CB-CB 3.87Å; A206-F209 WeakPolarHBondContact O-CB 3.49Å; A206-F209 PolarHBondContact O-N 2.94Å | ||
| 207 | P | 86 | Confident | 84.9 | Confident | 130 Ų | 130 | 130.4 Ų | 130.4 | 84% | 0.844 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -33 | -176.5 | -27.3 | 34.7 | 0 | 0 | 0 | 114.6 | F209 | P207-F209 VanDerWaalsContact C-N 3.28Å; P207-F209 PolarHBondContact O-N 3.29Å |
| 208 | D | 86.4 | Confident | 85.2 | Confident | 170 Ų | 170 | 129.6 Ų | 129.6 | 91% | 0.909 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -4.2 | -179.6 | -54.7 | -37.8 | 0 | 0 | 0 | 113.1 | A206 | A206-D208 PolarHBondContact O-N 2.9Å; A206-D208 VanDerWaalsContact O-N 3.13Å |
| 209 | F | 86.6 | Confident | 85.7 | Confident | 106 Ų | 106 | 131.2 Ų | 131.2 | 47% | 0.465 | 67% | 0.669 | S | S | . | * | trans | -92.2 | 124.1 | -179.8 | -176 | -96.6 | 0 | 0 | 0 | 110.5 | W202 S203 A206 P207 E211 | W202-F209 HydrophobicContact CB-CD1 4.41Å; W202-F209 HydrophobicContact CB-CE1 3.92Å; S203-F209 WeakPolarHBondContact CA-O 3.26Å; S203-F209 WeakPolarHBondContact CB-O 3.32Å; A206-F209 HydrophobicContact CB-CB 3.87Å; A206-F209 WeakPolarHBondContact O-CB 3.49Å; A206-F209 PolarHBondContact O-N 2.94Å; P207-F209 VanDerWaalsContact C-N 3.28Å; P207-F209 PolarHBondContact O-N 3.29Å; F209-E211 HydrophobicContact CE1-CB 4.49Å | ||
| 210 | K | 84.5 | Confident | 86 | Confident | 169 Ų | 169 | 131.1 Ų | 131.1 | 74% | 0.735 | 66% | 0.661 | S | S | * | * | trans | -118 | 122.4 | 174.8 | -169.1 | 175.2 | 179.8 | -178.7 | 0 | 109.6 | ||||
| 211 | E | 83.8 | Confident | 86.2 | Confident | 110 Ų | 110 | 130.9 Ų | 130.9 | 51% | 0.514 | 65% | 0.653 | S | S | . | * | trans | -71.7 | 134.9 | 170 | -169.9 | 170.7 | -172.9 | 0 | 0 | 109.1 | F209 | F209-E211 HydrophobicContact CE1-CB 4.49Š| ||
| 212 | L | 85.3 | Confident | 86.6 | Confident | 97 Ų | 97 | 135.9 Ų | 135.9 | 51% | 0.508 | 67% | 0.674 | S | S | . | * | trans | -111.1 | 124.9 | 178.6 | -66.3 | 178.7 | 0 | 0 | 0 | 108.5 | V216 | L212-V216 HydrophobicContact CD1-CB 4.32Å; L212-V216 HydrophobicContact CD1-CG2 4.29Å; L212-V216 HydrophobicContact CD2-CB 4.47Å; L212-V216 HydrophobicContact CD2-CG2 3.7Å | ||
| 213 | D | 85.6 | Confident | 86.7 | Confident | 171 Ų | 171 | 129.6 Ų | 129.6 | 91% | 0.914 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -80 | -31.4 | 174.2 | -159.2 | 20.6 | 0 | 0 | 0 | 111.1 | ||
| 214 | E | 92.3 | Very high | 86.9 | Confident | 162 Ų | 162 | 131.7 Ų | 131.7 | 76% | 0.757 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -130.1 | 158.6 | 174.5 | -63.3 | -167.4 | 157.3 | 0 | 0 | 111.4 | V216 | E214-V216 PolarHBondContact O-N 3.44Š|
| 215 | N | 92.3 | Very high | 87 | Confident | 170 Ų | 170 | 134.8 Ų | 134.8 | 91% | 0.909 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 123.1 | 177.3 | -70.6 | -4.2 | 0 | 0 | 0 | 110.1 | ||
| 216 | V | 92.7 | Very high | 87 | Confident | 104 Ų | 104 | 131 Ų | 131 | 63% | 0.63 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -98.3 | 124 | 171.2 | 178.1 | 0 | 0 | 0 | 0 | 108.1 | L212 E214 Y218 | L212-V216 HydrophobicContact CD1-CB 4.32Å; L212-V216 HydrophobicContact CD1-CG2 4.29Å; L212-V216 HydrophobicContact CD2-CB 4.47Å; L212-V216 HydrophobicContact CD2-CG2 3.7Å; E214-V216 PolarHBondContact O-N 3.44Å; V216-Y218 PolarHBondContact O-N 3.22Å |
| 217 | E | 91.8 | Very high | 86.6 | Confident | 187 Ų | 187 | 137.2 Ų | 137.2 | 87% | 0.874 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 125.4 | 169.8 | -69.3 | -177.4 | 178.3 | 0 | 0 | 108.7 | E219 | E217-E219 PolarHBondContact O-N 3.35Š|
| 218 | Y | 91.1 | Very high | 86 | Confident | 130 Ų | 130 | 138.4 Ų | 138.4 | 51% | 0.51 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -76.7 | 117.4 | 179.6 | -178.9 | -116.5 | 0 | 0 | 0 | 109.6 | V216 E220 E224 | V216-Y218 PolarHBondContact O-N 3.22Å; Y218-E220 HydrophobicContact CD1-CG 3.71Å; Y218-E220 HydrophobicContact CE1-CB 4.22Å; Y218-E220 HydrophobicContact CE1-CG 3.73Å; Y218-E220 PolarHBondContact O-N 3.18Å; Y218-E224 WeakPolarHBondContact CE1-OE1 3.47Å; Y218-E224 WeakPolarHBondContact CE1-OE2 3.07Å; Y218-E224 VanDerWaalsContact OH-CD 3.31Å; Y218-E224 PolarHBondContact OH-OE1 2.94Å; Y218-E224 PolarHBondContact OH-OE2 2.8Å |
| 219 | E | 88.9 | Confident | 85.1 | Confident | 178 Ų | 178 | 133.1 Ų | 133.1 | 83% | 0.832 | 64% | 0.638 | S | S | * | * | trans | -85 | 101.1 | 168.6 | -169.8 | 172.5 | -170.5 | 0 | 0 | 107.9 | E217 R221 | E217-E219 PolarHBondContact O-N 3.35Å; E219-R221 PolarHBondContact O-N 2.96Å | ||
| 220 | E | 88.3 | Confident | 84.1 | Confident | 125 Ų | 125 | 136.9 Ų | 136.9 | 58% | 0.584 | 66% | 0.657 | S | S | * | * | trans | -56.1 | 125.8 | 178.3 | -65.2 | 178.7 | -174.2 | 0 | 0 | 109.3 | Y218 | Y218-E220 HydrophobicContact CD1-CG 3.71Å; Y218-E220 HydrophobicContact CE1-CB 4.22Å; Y218-E220 HydrophobicContact CE1-CG 3.73Å; Y218-E220 PolarHBondContact O-N 3.18Å | ||
| 221 | R | 86.4 | Confident | 83.2 | Confident | 155 Ų | 155 | 136.1 Ų | 136.1 | 59% | 0.585 | 66% | 0.661 | S | S | * | * | trans | -75.2 | 141.1 | 174.6 | -77.4 | -173.3 | -89.4 | 91.5 | 1.1 | 108.3 | E219 S223 E224 | E219-R221 PolarHBondContact O-N 2.96Å; R221-S223 PolarHBondContact O-N 3.08Å; R221-S223 VanDerWaalsContact O-N 3.14Å; R221-E224 WeakPolarHBondContact O-CB 3.36Å; R221-E224 PolarHBondContact O-N 3.47Å | ||
| 222 | E | 83.5 | Confident | 82.3 | Confident | 184 Ų | 184 | 137.9 Ų | 137.9 | 86% | 0.86 | 67% | 0.667 | S | S | * | * | G | 310 helix | trans | -51.6 | -40.8 | 177.5 | -174.9 | 171.4 | -159.7 | 0 | 0 | 111.7 | E224 | E222-E224 PolarHBondContact O-N 2.99Š|
| 223 | S | 81.8 | Confident | 81 | Confident | 42 Ų | 42 | 137.5 Ų | 137.5 | 29% | 0.294 | 67% | 0.672 | S | S | . | * | G | 310 helix | trans | -75.3 | 4.2 | 180 | 80.9 | 0 | 0 | 0 | 0 | 115.4 | R221 F225 | R221-S223 PolarHBondContact O-N 3.08Å; R221-S223 VanDerWaalsContact O-N 3.14Å; S223-F225 VanDerWaalsContact C-N 3.34Å |
| 224 | E | 83.8 | Confident | 79.8 | Confident | 81 Ų | 81 | 137.7 Ų | 137.7 | 38% | 0.379 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -72.7 | -28.4 | -174.1 | -177.1 | 171.6 | 178.8 | 0 | 0 | 113.1 | Y218 R221 E222 | Y218-E224 WeakPolarHBondContact CE1-OE1 3.47Å; Y218-E224 WeakPolarHBondContact CE1-OE2 3.07Å; Y218-E224 VanDerWaalsContact OH-CD 3.31Å; Y218-E224 PolarHBondContact OH-OE1 2.94Å; Y218-E224 PolarHBondContact OH-OE2 2.8Å; R221-E224 WeakPolarHBondContact O-CB 3.36Å; R221-E224 PolarHBondContact O-N 3.47Å; E222-E224 PolarHBondContact O-N 2.99Å |
| 225 | F | 84.1 | Confident | 78.2 | Confident | 153 Ų | 153 | 135.1 Ų | 135.1 | 67% | 0.671 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -99.3 | -1.3 | -179.9 | -65 | -83.9 | 0 | 0 | 0 | 113.2 | S223 | S223-F225 VanDerWaalsContact C-N 3.34Š|
| 226 | D | 85.3 | Confident | 76.2 | Confident | 85 Ų | 85 | 134.4 Ų | 134.4 | 46% | 0.455 | 66% | 0.656 | S | S | . | * | trans | -88.5 | 131.2 | -178.1 | -61.9 | -30.2 | 0 | 0 | 0 | 111.1 | ||||
| 227 | I | 79.2 | Confident | 74.1 | Confident | 172 Ų | 172 | 137.3 Ų | 137.3 | 88% | 0.882 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -77.8 | -39.6 | 176.5 | -61.9 | 173.3 | 0 | 0 | 0 | 110.2 | ||
| 228 | E | 73.2 | Confident | 72.1 | Confident | 156 Ų | 156 | 132.4 Ų | 132.4 | 73% | 0.729 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -131.8 | 114.3 | 174 | -67.9 | 177.6 | -173.1 | 0 | 0 | 105.7 | E230 | E228-E230 PolarHBondContact O-N 2.89Å; E228-E230 VanDerWaalsContact O-N 3.08Å |
| 229 | D | 67.4 | Low | 70.2 | Confident | 59 Ų | 59 | 128.8 Ų | 128.8 | 32% | 0.316 | 65% | 0.649 | S | S | . | * | trans | -77.4 | 91.5 | 178.2 | -177.8 | -2.7 | 0 | 0 | 0 | 107.8 | D231 K232 | D229-D231 PolarHBondContact O-N 2.65Å; D229-D231 PolarHBondContact OD1-N 2.94Å; D229-K232 HydrophobicContact CB-CB 3.85Å; D229-K232 HydrophobicContact CB-CD 4.34Å; D229-K232 WeakPolarHBondContact O-CB 3.5Å; D229-K232 PolarHBondContact O-N 3.18Å; D229-K232 PolarHBondContact OD1-N 2.63Å | ||
| 230 | E | 64.5 | Low | 68.5 | Low | 184 Ų | 184 | 123.1 Ų | 123.1 | 86% | 0.86 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -20.6 | -178.2 | -68.7 | -173.1 | 175.8 | 0 | 0 | 112.5 | E228 | E228-E230 PolarHBondContact O-N 2.89Å; E228-E230 VanDerWaalsContact O-N 3.08Å |
| 231 | D | 66.8 | Low | 66.8 | Low | 153 Ų | 153 | 121 Ų | 121 | 82% | 0.818 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 0.9 | 177.6 | -70.8 | -34.1 | 0 | 0 | 0 | 112.7 | D229 S233 | D229-D231 PolarHBondContact O-N 2.65Å; D229-D231 PolarHBondContact OD1-N 2.94Å; D231-S233 PolarHBondContact O-N 2.52Å |
| 232 | K | 63.6 | Low | 65.3 | Low | 147 Ų | 147 | 116.9 Ų | 116.9 | 64% | 0.639 | 62% | 0.623 | S | S | * | * | trans | -61.7 | 103.8 | 171 | -161.3 | 169.4 | -178.9 | 175.9 | 0 | 108.1 | D229 E234 | D229-K232 HydrophobicContact CB-CB 3.85Å; D229-K232 HydrophobicContact CB-CD 4.34Å; D229-K232 WeakPolarHBondContact O-CB 3.5Å; D229-K232 PolarHBondContact O-N 3.18Å; D229-K232 PolarHBondContact OD1-N 2.63Å; K232-E234 PolarHBondContact O-N 3.25Å | ||
| 233 | S | 59.6 | Low | 64.2 | Low | 89 Ų | 89 | 110.3 Ų | 110.3 | 62% | 0.622 | 60% | 0.601 | S | S | * | * | trans | -49 | 137.4 | 163.6 | 55.7 | 0 | 0 | 0 | 0 | 107.4 | D231 P235 | D231-S233 PolarHBondContact O-N 2.52Å; S233-P235 VanDerWaalsContact O-N 3.16Å | ||
| 234 | E | 59.7 | Low | 63.6 | Low | 176 Ų | 176 | 116 Ų | 116 | 82% | 0.822 | 62% | 0.622 | S | S | * | * | trans | -39.7 | 132.3 | 164.1 | -73.4 | -162.8 | 162 | 0 | 0 | 106.5 | K232 E236 | K232-E234 PolarHBondContact O-N 3.25Å; E234-E236 PolarHBondContact O-N 3.15Å | ||
| 235 | P | 57.7 | Low | 63.4 | Low | 108 Ų | 108 | 119.2 Ų | 119.2 | 70% | 0.701 | 64% | 0.643 | S | S | * | * | trans | -46.3 | 117 | -178.2 | 20.5 | -30.4 | 0 | 0 | 0 | 104.2 | S233 Q237 | S233-P235 VanDerWaalsContact O-N 3.16Å; P235-Q237 PolarHBondContact O-N 2.9Å | ||
| 236 | E | 49.9 | Very low | 63.5 | Low | 154 Ų | 154 | 118.3 Ų | 118.3 | 72% | 0.72 | 64% | 0.64 | S | S | * | * | trans | -45.5 | 139.8 | 163.7 | -85.7 | -168.8 | 146.4 | 0 | 0 | 102.9 | E234 T238 | E234-E236 PolarHBondContact O-N 3.15Å; E236-T238 HydrophobicContact CB-CG2 4.33Å; E236-T238 WeakPolarHBondContact O-CG2 3.04Å; E236-T238 PolarHBondContact O-N 2.89Å | ||
| 237 | Q | 49.8 | Very low | 63.4 | Low | 166 Ų | 166 | 123.3 Ų | 123.3 | 78% | 0.776 | 66% | 0.661 | S | S | * | * | trans | -59.1 | 74.8 | 160.7 | -90.8 | 168.6 | -13.2 | 0 | 0 | 106.1 | P235 D241 | P235-Q237 PolarHBondContact O-N 2.9Å; Q237-D241 HydrophobicContact CG-CB 4.3Å | ||
| 238 | T | 50.5 | Low | 63.8 | Low | 83 Ų | 83 | 120.1 Ų | 120.1 | 51% | 0.509 | 65% | 0.649 | S | S | . | * | trans | -54.7 | 142.2 | 163.5 | 52.8 | 0 | 0 | 0 | 0 | 102.1 | E236 A240 D241 | E236-T238 HydrophobicContact CB-CG2 4.33Å; E236-T238 WeakPolarHBondContact O-CG2 3.04Å; E236-T238 PolarHBondContact O-N 2.89Å; T238-A240 PolarHBondContact O-N 3.1Å; T238-D241 PolarHBondContact O-N 3.45Å | ||
| 239 | G | 51.1 | Low | 64.4 | Low | 55 Ų | 55 | 117.1 Ų | 117.1 | 57% | 0.567 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -53.9 | 0.2 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | A242 A243 | G239-A242 PolarHBondContact O-N 3.26Å; G239-A243 VanDerWaalsContact O-CB 3.28Å; G239-A243 WeakPolarHBondContact O-CB 3.44Å; G239-A243 PolarHBondContact O-N 3.4Å |
| 240 | A | 52.5 | Low | 65.4 | Low | 58 Ų | 58 | 120.4 Ų | 120.4 | 48% | 0.479 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -55.5 | -48.9 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T238 A242 A243 E244 | T238-A240 PolarHBondContact O-N 3.1Å; A240-A242 VanDerWaalsContact C-N 3.28Å; A240-A242 PolarHBondContact O-N 3.06Å; A240-A243 PolarHBondContact O-N 3.4Å; A240-A243 VanDerWaalsContact O-N 3.13Å; A240-E244 PolarHBondContact O-N 3.35Å; A240-E244 VanDerWaalsContact O-N 3.14Å |
| 241 | D | 51.4 | Low | 66.6 | Low | 82 Ų | 82 | 117.1 Ų | 117.1 | 44% | 0.439 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -68.2 | -32.2 | 177.3 | -78.2 | -1.8 | 0 | 0 | 0 | 111.2 | Q237 T238 A243 | Q237-D241 HydrophobicContact CG-CB 4.3Å; T238-D241 PolarHBondContact O-N 3.45Å; D241-A243 VanDerWaalsContact C-N 3.3Å |
| 242 | A | 56.4 | Low | 67.6 | Low | 67 Ų | 67 | 112.9 Ų | 112.9 | 55% | 0.554 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.7 | -24.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G239 A240 | G239-A242 PolarHBondContact O-N 3.26Å; A240-A242 VanDerWaalsContact C-N 3.28Å; A240-A242 PolarHBondContact O-N 3.06Å |
| 243 | A | 60.2 | Low | 68.4 | Low | 46 Ų | 46 | 112.1 Ų | 112.1 | 38% | 0.38 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -82.1 | -24.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G239 A240 D241 D245 E246 | G239-A243 VanDerWaalsContact O-CB 3.28Å; G239-A243 WeakPolarHBondContact O-CB 3.44Å; G239-A243 PolarHBondContact O-N 3.4Å; A240-A243 PolarHBondContact O-N 3.4Å; A240-A243 VanDerWaalsContact O-N 3.13Å; D241-A243 VanDerWaalsContact C-N 3.3Å; A243-D245 PolarHBondContact O-N 3.35Å; A243-E246 WeakPolarHBondContact O-CB 3.46Å; A243-E246 PolarHBondContact O-N 2.89Å |
| 244 | E | 68.8 | Low | 69.3 | Low | 161 Ų | 161 | 114.2 Ų | 114.2 | 75% | 0.752 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -66.3 | -28.7 | 173.1 | -69.1 | -166.1 | 165.3 | 0 | 0 | 112.3 | A240 | A240-E244 PolarHBondContact O-N 3.35Å; A240-E244 VanDerWaalsContact O-N 3.14Å |
| 245 | D | 79.9 | Confident | 69.9 | Low | 150 Ų | 150 | 109.5 Ų | 109.5 | 80% | 0.802 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | 10.1 | 177.2 | -71.8 | -30.3 | 0 | 0 | 0 | 113.4 | A243 E247 | A243-D245 PolarHBondContact O-N 3.35Å; D245-E247 PolarHBondContact O-N 2.91Å |
| 246 | E | 84.9 | Confident | 70.5 | Confident | 133 Ų | 133 | 108.3 Ų | 108.3 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | trans | -69.7 | 129.6 | 177.2 | -83.7 | 178.8 | -169.8 | 0 | 0 | 111.9 | A243 V248 | A243-E246 WeakPolarHBondContact O-CB 3.46Å; A243-E246 PolarHBondContact O-N 2.89Å; E246-V248 PolarHBondContact O-N 2.82Å | ||
| 247 | E | 84.6 | Confident | 71.4 | Confident | 190 Ų | 190 | 104.8 Ų | 104.8 | 89% | 0.888 | 62% | 0.615 | S | S | * | * | trans | -72.3 | 112.2 | 174.4 | -175.9 | 72.5 | -163.6 | 0 | 0 | 109.8 | D245 | D245-E247 PolarHBondContact O-N 2.91Š| ||
| 248 | V | 87.5 | Confident | 72.1 | Confident | 105 Ų | 105 | 99.7 Ų | 99.7 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | trans | -100.2 | 118 | 178.9 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | E246 V250 | E246-V248 PolarHBondContact O-N 2.82Å; V248-V250 HydrophobicContact CG1-CG1 4.34Å | ||
| 249 | D | 86.3 | Confident | 72.8 | Confident | 93 Ų | 93 | 100.1 Ų | 100.1 | 50% | 0.497 | 60% | 0.597 | S | S | . | * | trans | -79.2 | 122.5 | 170.4 | -174.1 | 2.3 | 0 | 0 | 0 | 110.8 | T251 S252 | D249-T251 PolarHBondContact OD1-N 2.85Å; D249-T251 PolarHBondContact OD1-OG1 3.12Å; D249-S252 PolarHBondContact OD1-N 3.4Å; D249-S252 VanDerWaalsContact OD1-N 3.12Å; D249-S252 WeakPolarHBondContact OD2-CB 2.98Å; D249-S252 PolarHBondContact OD2-N 2.81Å; D249-S252 PolarHBondContact OD2-OG 3.36Å | ||
| 250 | V | 87.6 | Confident | 73.4 | Confident | 129 Ų | 129 | 98.8 Ų | 98.8 | 78% | 0.782 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -106 | 1.3 | 178.9 | -61 | 0 | 0 | 0 | 0 | 113 | V248 | V248-V250 HydrophobicContact CG1-CG1 4.34Š|
| 251 | T | 90 | Very high | 73.7 | Confident | 115 Ų | 115 | 96.2 Ų | 96.2 | 71% | 0.706 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -115.4 | -22.9 | -172.8 | 61.3 | 0 | 0 | 0 | 0 | 113.7 | D249 | D249-T251 PolarHBondContact OD1-N 2.85Å; D249-T251 PolarHBondContact OD1-OG1 3.12Å |
| 252 | S | 87.2 | Confident | 73.7 | Confident | 63 Ų | 63 | 98 Ų | 98 | 44% | 0.441 | 58% | 0.576 | S | S | . | * | trans | -63.5 | 146.7 | 170 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | D249 | D249-S252 PolarHBondContact OD1-N 3.4Å; D249-S252 VanDerWaalsContact OD1-N 3.12Å; D249-S252 WeakPolarHBondContact OD2-CB 2.98Å; D249-S252 PolarHBondContact OD2-N 2.81Å; D249-S252 PolarHBondContact OD2-OG 3.36Å | ||
| 253 | V | 81 | Confident | 73.8 | Confident | 132 Ų | 132 | 99.1 Ų | 99.1 | 80% | 0.8 | 57% | 0.573 | S | S | * | * | trans | -115.8 | 106.4 | 173.1 | -177.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 254 | D | 77.5 | Confident | 73.9 | Confident | 133 Ų | 133 | 100.1 Ų | 100.1 | 71% | 0.711 | 57% | 0.57 | S | S | * | * | trans | -68.9 | 140.8 | 174.7 | -72.6 | -32.9 | 0 | 0 | 0 | 110.3 | ||||
| 255 | P | 72.2 | Confident | 73.1 | Confident | 76 Ų | 76 | 101.6 Ų | 101.6 | 49% | 0.494 | 58% | 0.577 | S | S | . | * | trans | -64.6 | 139 | 173.6 | 28.1 | -33.6 | 0 | 0 | 0 | 110.1 | A257 E267 | P255-A257 PolarHBondContact O-N 2.92Å; P255-E267 HydrophobicContact CB-CG 3.76Å | ||
| 256 | I | 70.6 | Confident | 71.9 | Confident | 83 Ų | 83 | 101.2 Ų | 101.2 | 43% | 0.426 | 57% | 0.573 | S | S | . | * | trans | -71.3 | 104.3 | 175.9 | -55.8 | 169.5 | 0 | 0 | 0 | 107.7 | A258 F259 C260 E267 | I256-A258 HydrophobicContact CG2-CB 4.19Å; I256-A258 PolarHBondContact O-N 2.75Å; I256-F259 HydrophobicContact CB-CD2 3.68Å; I256-F259 HydrophobicContact CB-CE2 4.24Å; I256-F259 HydrophobicContact CD1-CD2 3.85Å; I256-F259 HydrophobicContact CD1-CE2 3.73Å; I256-F259 HydrophobicContact CG1-CD2 4.34Å; I256-F259 HydrophobicContact CG2-CD2 3.67Å; I256-F259 HydrophobicContact CG2-CE2 3.92Å; I256-F259 HydrophobicContact CG2-CG 4.47Å; I256-F259 PolarHBondContact O-N 3.47Å; I256-C260 PolarHBondContact O-N 3.44Å; I256-E267 WeakPolarHBondContact CA-OE1 3.28Å; I256-E267 WeakPolarHBondContact CB-OE1 3.16Å; I256-E267 WeakPolarHBondContact CG1-OE1 3.34Å; I256-E267 PolarHBondContact N-OE1 3.23Å | ||
| 257 | A | 69.4 | Low | 70.6 | Confident | 80 Ų | 80 | 97.5 Ų | 97.5 | 66% | 0.661 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.5 | -26.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | P255 F259 C260 | P255-A257 PolarHBondContact O-N 2.92Å; A257-F259 VanDerWaalsContact C-N 3.27Å; A257-F259 PolarHBondContact O-N 2.92Å; A257-C260 PolarHBondContact O-N 3.32Å |
| 258 | A | 65.1 | Low | 69.6 | Low | 60 Ų | 60 | 93.5 Ų | 93.5 | 50% | 0.496 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -20 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | V179 I256 | V179-A258 HydrophobicContact CB-CB 3.94Å; V179-A258 HydrophobicContact CG1-CB 3.59Å; I256-A258 HydrophobicContact CG2-CB 4.19Å; I256-A258 PolarHBondContact O-N 2.75Å |
| 259 | F | 65.4 | Low | 68.3 | Low | 91 Ų | 91 | 94.5 Ų | 94.5 | 40% | 0.399 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -98 | -9 | 172.9 | -60.8 | -51.1 | 0 | 0 | 0 | 112.9 | V179 I256 A257 L273 | V179-F259 HydrophobicContact CG1-CD1 3.73Å; V179-F259 HydrophobicContact CG1-CE1 3.21Å; V179-F259 HydrophobicContact CG1-CE2 4.49Å; V179-F259 HydrophobicContact CG1-CZ 3.63Å; V179-F259 HydrophobicContact CG2-CZ 4.38Å; I256-F259 HydrophobicContact CB-CD2 3.68Å; I256-F259 HydrophobicContact CB-CE2 4.24Å; I256-F259 HydrophobicContact CD1-CD2 3.85Å; I256-F259 HydrophobicContact CD1-CE2 3.73Å; I256-F259 HydrophobicContact CG1-CD2 4.34Å; I256-F259 HydrophobicContact CG2-CD2 3.67Å; I256-F259 HydrophobicContact CG2-CE2 3.92Å; I256-F259 HydrophobicContact CG2-CG 4.47Å; I256-F259 PolarHBondContact O-N 3.47Å; A257-F259 VanDerWaalsContact C-N 3.27Å; A257-F259 PolarHBondContact O-N 2.92Å; F259-L273 HydrophobicContact CE2-CD2 4.34Å |
| 260 | C | 62.6 | Low | 67.2 | Low | 27 Ų | 27 | 99.1 Ų | 99.1 | 18% | 0.182 | 57% | 0.568 | C | S | . | * | trans | -93.1 | 122.8 | 176.5 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | I256 A257 | I256-C260 PolarHBondContact O-N 3.44Å; A257-C260 PolarHBondContact O-N 3.32Å | ||
| 261 | S | 59.2 | Low | 66.2 | Low | 5 Ų | 5 | 95.1 Ų | 95.1 | 4% | 0.035 | 55% | 0.549 | C | S | . | . | trans | -84.4 | 149.9 | 164.5 | -174.2 | 0 | 0 | 0 | 0 | 109.1 | G83 D263 E264 | G83-S261 PolarHBondContact N-OG 3.33Å; S261-D263 WeakPolarHBondContact CB-OD1 3.35Å; S261-D263 PolarHBondContact O-N 3.13Å; S261-D263 PolarHBondContact OG-OD1 3.14Å; S261-E264 PolarHBondContact O-N 2.98Å | ||
| 262 | S | 51.4 | Low | 64.9 | Low | 120 Ų | 120 | 96.1 Ų | 96.1 | 84% | 0.839 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -10.3 | -176.6 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 263 | D | 58.8 | Low | 64.1 | Low | 89 Ų | 89 | 98.5 Ų | 98.5 | 48% | 0.476 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -100.7 | 9.5 | 174.2 | 62.1 | -23.2 | 0 | 0 | 0 | 112.9 | R34 S261 | R34-D263 IonicContact CZ-OD1 2.97Å; R34-D263 IonicContact CZ-OD2 3.29Å; R34-D263 IonicContact NH2-OD1 3.36Å; R34-D263 PolarHBondContact NH2-OD1 3.23Å; R34-D263 VanDerWaalsContact NH2-OD1 3.09Å; R34-D263 IonicContact NH2-OD2 2.75Å; R34-D263 PolarHBondContact NH2-OD2 3.28Å; S261-D263 WeakPolarHBondContact CB-OD1 3.35Å; S261-D263 PolarHBondContact O-N 3.13Å; S261-D263 PolarHBondContact OG-OD1 3.14Å |
| 264 | E | 61.5 | Low | 63.7 | Low | 68 Ų | 68 | 101 Ų | 101 | 32% | 0.318 | 55% | 0.553 | S | S | . | * | trans | -122.3 | 127.1 | 174.4 | -64.3 | -168.1 | 168.3 | 0 | 0 | 110.6 | R34 S261 | R34-E264 IonicContact CZ-OE1 2.76Å; R34-E264 IonicContact NH1-OE1 3.49Å; R34-E264 PolarHBondContact NH1-OE1 3.15Å; R34-E264 IonicContact NH1-OE2 3.83Å; R34-E264 IonicContact NH2-OE1 3.58Å; S261-E264 PolarHBondContact O-N 2.98Å | ||
| 265 | E | 53.3 | Low | 63.6 | Low | 192 Ų | 192 | 101 Ų | 101 | 90% | 0.897 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -85.8 | -10.1 | 178.8 | -69.2 | -179.1 | 165.3 | 0 | 0 | 112.7 | ||
| 266 | L | 53.1 | Low | 63.8 | Low | 141 Ų | 141 | 102.9 Ų | 102.9 | 74% | 0.738 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -148.9 | 144.4 | -172.9 | -64.9 | 171.1 | 0 | 0 | 0 | 112.5 | ||
| 267 | E | 59 | Low | 64.3 | Low | 56 Ų | 56 | 106.2 Ų | 106.2 | 26% | 0.262 | 58% | 0.581 | S | S | . | * | trans | -62.4 | 143 | 169.4 | -73.1 | -174.7 | 142.4 | 0 | 0 | 111.7 | P255 I256 S269 | P255-E267 HydrophobicContact CB-CG 3.76Å; I256-E267 WeakPolarHBondContact CA-OE1 3.28Å; I256-E267 WeakPolarHBondContact CB-OE1 3.16Å; I256-E267 WeakPolarHBondContact CG1-OE1 3.34Å; I256-E267 PolarHBondContact N-OE1 3.23Å; E267-S269 PolarHBondContact O-N 2.82Å | ||
| 268 | D | 62.2 | Low | 64.8 | Low | 105 Ų | 105 | 106.2 Ų | 106.2 | 56% | 0.561 | 58% | 0.581 | S | S | * | * | trans | -62.4 | 104 | 170.2 | -179.5 | 8.5 | 0 | 0 | 0 | 109.7 | K270 A271 | D268-K270 PolarHBondContact O-N 3.3Å; D268-K270 WeakPolarHBondContact OD1-CB 3.19Å; D268-K270 PolarHBondContact OD1-N 2.82Å; D268-A271 HydrophobicContact CB-CB 4.35Å; D268-A271 WeakPolarHBondContact O-CB 3.33Å; D268-A271 PolarHBondContact O-N 3.14Å | ||
| 269 | S | 60.7 | Low | 65.5 | Low | 127 Ų | 127 | 108.8 Ų | 108.8 | 89% | 0.888 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -9.7 | -179.9 | -33.1 | 0 | 0 | 0 | 0 | 113.1 | E267 | E267-S269 PolarHBondContact O-N 2.82Š|
| 270 | K | 62.6 | Low | 65.8 | Low | 189 Ų | 189 | 113.4 Ų | 113.4 | 82% | 0.822 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.1 | 3.3 | 175.1 | -61 | 178.3 | -177.7 | 171.7 | 0 | 112.9 | D268 L272 | D268-K270 PolarHBondContact O-N 3.3Å; D268-K270 WeakPolarHBondContact OD1-CB 3.19Å; D268-K270 PolarHBondContact OD1-N 2.82Å; K270-L272 PolarHBondContact O-N 2.92Å |
| 271 | A | 66.5 | Low | 66.3 | Low | 45 Ų | 45 | 118 Ų | 118 | 37% | 0.372 | 64% | 0.643 | S | S | . | * | trans | -59 | 128.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | D268 L273 | D268-A271 HydrophobicContact CB-CB 4.35Å; D268-A271 WeakPolarHBondContact O-CB 3.33Å; D268-A271 PolarHBondContact O-N 3.14Å; A271-L273 VanDerWaalsContact C-N 3.33Å; A271-L273 HydrophobicContact CB-CD2 4.29Å; A271-L273 HydrophobicContact CB-CG 4.44Å; A271-L273 PolarHBondContact O-N 3.06Å | ||
| 272 | L | 64.6 | Low | 66.6 | Low | 137 Ų | 137 | 126.4 Ų | 126.4 | 72% | 0.717 | 68% | 0.681 | S | S | * | * | trans | -73.6 | 89.2 | 174.4 | -171.2 | 87.3 | 0 | 0 | 0 | 108.9 | K270 L275 | K270-L272 PolarHBondContact O-N 2.92Å; L272-L275 HydrophobicContact CD2-CD2 3.8Å; L272-L275 HydrophobicContact CD2-CG 4.43Å | ||
| 273 | L | 69.1 | Low | 67.1 | Low | 113 Ų | 113 | 126.2 Ų | 126.2 | 59% | 0.592 | 67% | 0.671 | S | S | * | * | trans | -81.1 | -29.5 | -178.6 | -64.2 | 175.3 | 0 | 0 | 0 | 112.8 | F259 A271 | F259-L273 HydrophobicContact CE2-CD2 4.34Å; A271-L273 VanDerWaalsContact C-N 3.33Å; A271-L273 HydrophobicContact CB-CD2 4.29Å; A271-L273 HydrophobicContact CB-CG 4.44Å; A271-L273 PolarHBondContact O-N 3.06Å | ||
| 274 | Y | 72.4 | Confident | 67.2 | Low | 185 Ų | 185 | 127.4 Ų | 127.4 | 73% | 0.725 | 68% | 0.683 | S | S | * | * | trans | -134.8 | 139.2 | -178.7 | 53.3 | -89.7 | 0 | 0 | 0 | 110.7 | ||||
| 275 | L | 76.3 | Confident | 67.2 | Low | 133 Ų | 133 | 133.3 Ų | 133.3 | 70% | 0.696 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 129.2 | 164.5 | -72.8 | 166.5 | 0 | 0 | 0 | 107.5 | L272 I277 | L272-L275 HydrophobicContact CD2-CD2 3.8Å; L272-L275 HydrophobicContact CD2-CG 4.43Å; L275-I277 PolarHBondContact O-N 3.27Å; L275-I277 VanDerWaalsContact O-N 3.11Å |
| 276 | P | 76.9 | Confident | 67.3 | Low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -63 | 117.7 | 173 | 26.4 | -32.1 | 0 | 0 | 0 | 108.6 | ||
| 277 | I | 80.3 | Confident | 67.1 | Low | 153 Ų | 153 | 130.8 Ų | 130.8 | 79% | 0.785 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 123.2 | 172.5 | -60 | 172.1 | 0 | 0 | 0 | 106.7 | L275 | L275-I277 PolarHBondContact O-N 3.27Å; L275-I277 VanDerWaalsContact O-N 3.11Å |
| 278 | A | 79.9 | Confident | 67.1 | Low | 80 Ų | 80 | 133.4 Ų | 133.4 | 66% | 0.661 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 132.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108 | E280 | A278-E280 PolarHBondContact O-N 2.95Š|
| 279 | P | 79.3 | Confident | 66.6 | Low | 114 Ų | 114 | 138.1 Ų | 138.1 | 74% | 0.74 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 126.6 | 176.6 | 23.3 | -31.6 | 0 | 0 | 0 | 109.1 | V281 | P279-V281 PolarHBondContact O-N 3.11Å; P279-V281 VanDerWaalsContact O-N 3.09Å |
| 280 | E | 72.8 | Confident | 66.2 | Low | 188 Ų | 188 | 134.2 Ų | 134.2 | 88% | 0.879 | 71% | 0.712 | S | S | * | * | trans | -62.6 | 112.4 | 170.4 | -69.6 | -179.1 | 172.2 | 0 | 0 | 107.3 | A278 E282 | A278-E280 PolarHBondContact O-N 2.95Å; E280-E282 PolarHBondContact O-N 3.08Å | ||
| 281 | V | 71.6 | Confident | 65.6 | Low | 125 Ų | 125 | 131 Ų | 131 | 76% | 0.758 | 71% | 0.71 | S | S | * | * | trans | -77.8 | 103.1 | 168.5 | -178.9 | 0 | 0 | 0 | 0 | 105.2 | P279 D283 | P279-V281 PolarHBondContact O-N 3.11Å; P279-V281 VanDerWaalsContact O-N 3.09Å; V281-D283 PolarHBondContact O-N 3.31Å | ||
| 282 | E | 66.6 | Low | 64.7 | Low | 180 Ų | 180 | 134.2 Ų | 134.2 | 84% | 0.841 | 73% | 0.728 | S | S | * | * | trans | -55.3 | 113.9 | 167.6 | -85.8 | -176.7 | 154.7 | 0 | 0 | 107.9 | E280 P284 | E280-E282 PolarHBondContact O-N 3.08Å; E282-P284 WeakPolarHBondContact O-CD 3.15Å | ||
| 283 | D | 62.3 | Low | 63.9 | Low | 116 Ų | 116 | 133.7 Ų | 133.7 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | trans | -64.4 | 123.2 | 172.2 | -103 | -38.1 | 0 | 0 | 0 | 107.7 | V281 E285 E286 | V281-D283 PolarHBondContact O-N 3.31Å; D283-E285 PolarHBondContact O-N 2.91Å; D283-E286 PolarHBondContact O-N 3.4Å | ||
| 284 | P | 60.7 | Low | 62.6 | Low | 114 Ų | 114 | 136.2 Ų | 136.2 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -57.2 | -14.6 | -177 | -26 | 33.8 | 0 | 0 | 0 | 114.9 | E282 | E282-P284 WeakPolarHBondContact O-CD 3.15Š|
| 285 | E | 61.2 | Low | 61 | Low | 192 Ų | 192 | 132 Ų | 132 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -80.5 | -13.5 | 179.5 | -62 | -167.9 | 167.8 | 0 | 0 | 113.7 | D283 | D283-E285 PolarHBondContact O-N 2.91Š|
| 286 | E | 54.4 | Low | 59.1 | Low | 172 Ų | 172 | 132 Ų | 132 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -89.2 | 1.9 | 178.4 | -99.3 | -168.3 | 168 | 0 | 0 | 114.3 | D283 P288 | D283-E286 PolarHBondContact O-N 3.4Å; E286-P288 WeakPolarHBondContact O-CD 3.1Å |
| 287 | N | 49.7 | Very low | 57.2 | Low | 108 Ų | 108 | 132.8 Ų | 132.8 | 58% | 0.578 | 76% | 0.76 | S | S | * | * | trans | -84.9 | 106.2 | 178.3 | -159.8 | 23.9 | 0 | 0 | 0 | 111.3 | Y289 | N287-Y289 PolarHBondContact O-N 3.34Š| ||
| 288 | P | 59.3 | Low | 54.9 | Low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -3 | -177 | -12.2 | 30.5 | 0 | 0 | 0 | 113.2 | E286 | E286-P288 WeakPolarHBondContact O-CD 3.1Š|
| 289 | Y | 51.5 | Low | 52.7 | Low | 204 Ų | 204 | 132 Ų | 132 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.7 | 29.6 | -174.5 | -66.1 | -80.2 | 0 | 0 | 0 | 113.3 | N287 | N287-Y289 PolarHBondContact O-N 3.34Š|
| 290 | G | 52.7 | Low | 50.5 | Low | 45 Ų | 45 | 133.2 Ų | 133.2 | 46% | 0.464 | 76% | 0.763 | S | S | . | * | P | Polyproline II helix | trans | -65.1 | 139.6 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 291 | P | 50 | Low | 48.5 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 142.4 | 179.4 | 25.9 | -31.4 | 0 | 0 | 0 | 110.2 | ||
| 292 | P | 47.2 | Very low | 46.6 | Very low | 114 Ų | 114 | 133.5 Ų | 133.5 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 143.2 | -176.2 | 25.9 | -31.2 | 0 | 0 | 0 | 110.1 | D294 | P292-D294 PolarHBondContact O-N 3.08Š|
| 293 | P | 47.9 | Very low | 44.8 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 132.6 | -179.9 | 25.3 | -31.8 | 0 | 0 | 0 | 110.4 | A295 | P293-A295 PolarHBondContact O-N 3.02Å; P293-A295 VanDerWaalsContact O-N 3.17Å |
| 294 | D | 41.7 | Very low | 43.2 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 118.4 | 178.1 | -82.8 | -40.1 | 0 | 0 | 0 | 111 | P292 V296 | P292-D294 PolarHBondContact O-N 3.08Å; D294-V296 PolarHBondContact O-N 3.19Å |
| 295 | A | 38 | Very low | 41.7 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -70.4 | 113 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110 | P293 | P293-A295 PolarHBondContact O-N 3.02Å; P293-A295 VanDerWaalsContact O-N 3.17Å | ||
| 296 | V | 37.2 | Very low | 40.2 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 81% | 0.812 | 77% | 0.766 | S | S | * | * | trans | -51.4 | 131.4 | 164 | -100.8 | 0 | 0 | 0 | 0 | 110.6 | D294 S298 | D294-V296 PolarHBondContact O-N 3.19Å; V296-S298 PolarHBondContact O-N 3.19Å | ||
| 297 | P | 37.7 | Very low | 39.1 | Very low | 130 Ų | 130 | 123.2 Ų | 123.2 | 84% | 0.844 | 76% | 0.761 | S | S | * | * | trans | -82.4 | 110.1 | -177.3 | 30.5 | -29.5 | 0 | 0 | 0 | 110.2 | ||||
| 298 | S | 31.7 | Very low | 38.1 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -101 | 109.9 | 161.7 | 62.9 | 0 | 0 | 0 | 0 | 109.6 | V296 | V296-S298 PolarHBondContact O-N 3.19Š| ||
| 299 | S | 34.4 | Very low | 36.9 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -54.7 | 141.8 | 167.6 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 300 | L | 31.3 | Very low | 35.8 | Very low | 141 Ų | 141 | 130.8 Ų | 130.8 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | 168.5 | 125.2 | 120.5 | -85.1 | 163.4 | 0 | 0 | 0 | 110.5 | |||||
| 301 | M | 31.3 | Very low | 34.7 | Very low | 174 Ų | 174 | 141 Ų | 141 | 86% | 0.857 | 81% | 0.809 | S | S | * | * | trans | 46 | 135.4 | 134.4 | -62.1 | 178.4 | 168.7 | 0 | 0 | 118.3 | ||||
| 302 | D | 30.9 | Very low | 33.6 | Very low | 144 Ų | 144 | 143 Ų | 143 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | cis | -175.2 | 159 | 24.6 | -165.6 | 14.8 | 0 | 0 | 0 | 109.5 | ||||
| 303 | E | 29.9 | Very low | 32.7 | Very low | 178 Ų | 178 | 143 Ų | 143 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | 49.5 | 126 | 155.2 | -70.9 | -118.5 | 105.5 | 0 | 0 | 123.9 | ||||
| 304 | G | 28.5 | Very low | 31.8 | Very low | 76 Ų | 76 | 142.4 Ų | 142.4 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 162.1 | 84.5 | 156.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 305 | A | 29.6 | Very low | 31.3 | Very low | 101 Ų | 101 | 139 Ų | 139 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -53.8 | 156 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 306 | S | 28.8 | Very low | 30.9 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | -174.5 | 155.8 | 43 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 307 | S | 31.5 | Very low | 30.6 | Very low | 100 Ų | 100 | 139 Ų | 139 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | trans | 73.3 | 102.1 | 141.2 | 61.8 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 308 | E | 29.8 | Very low | 30.3 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | 53 | 116.2 | 120.5 | -63.7 | -166 | 131.2 | 0 | 0 | 121.5 | |||||
| 309 | K | 32.9 | Very low | 30.6 | Very low | 215 Ų | 215 | 141.8 Ų | 141.8 | 94% | 0.935 | 80% | 0.804 | S | S | * | * | -155.7 | 125.9 | 113.8 | -110.8 | 171.4 | -171.9 | 174.3 | 0 | 112.7 | |||||
| 310 | K | 29.8 | Very low | 30.9 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | trans | -83.7 | 136.4 | -178.3 | -159.9 | 180 | -169.3 | 178.1 | 0 | 109.9 | ||||
| 311 | R | 28 | Very low | 31.5 | Very low | 259 Ų | 259 | 141.4 Ų | 141.4 | 98% | 0.977 | 81% | 0.807 | S | S | * | * | trans | -149.9 | 126.6 | 142.5 | -111.4 | -179.8 | -178.4 | -171.9 | -0.4 | 109.8 | ||||
| 312 | Q | 28 | Very low | 32 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 76% | 0.757 | 81% | 0.809 | S | S | * | * | trans | -129 | 134.9 | -171.4 | -141.6 | 180 | -4.1 | 0 | 0 | 106.4 | ||||
| 313 | S | 27.4 | Very low | 32.5 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | 152 | 133.4 | 152.4 | 59.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 314 | S | 29.9 | Very low | 33.4 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | cis | -174.2 | 152.9 | 5.5 | 34.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 315 | A | 31.5 | Very low | 34.1 | Very low | 95 Ų | 95 | 148.6 Ų | 148.6 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -54.3 | 161.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 316 | D | 29.1 | Very low | 34.8 | Very low | 166 Ų | 166 | 153.7 Ų | 153.7 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | cis | -173.2 | 156.9 | 46.6 | -173.7 | 11.7 | 0 | 0 | 0 | 108.6 | ||||
| 317 | G | 29.8 | Very low | 35.9 | Very low | 63 Ų | 63 | 154.7 Ų | 154.7 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | trans | 150.7 | 66.4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 318 | S | 33 | Very low | 36.5 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 83% | 0.825 | 82% | 0.822 | S | S | * | * | trans | 40.3 | 110.7 | 148.2 | 62.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 319 | Q | 37.9 | Very low | 37.4 | Very low | 186 Ų | 186 | 154 Ų | 154 | 87% | 0.869 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 147.7 | 159.8 | -71.6 | -161.5 | -12.2 | 0 | 0 | 112.3 | ||
| 320 | P | 40 | Very low | 38.5 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 72% | 0.721 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 153.8 | 176 | 31.1 | -32.4 | 0 | 0 | 0 | 112.4 | ||
| 321 | P | 44 | Very low | 39.6 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75 | 136.5 | -172.9 | 29.6 | -33.1 | 0 | 0 | 0 | 112.5 | K323 | P321-K323 PolarHBondContact O-N 2.95Š|
| 322 | K | 41.3 | Very low | 40.9 | Very low | 203 Ų | 203 | 144.6 Ų | 144.6 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 120 | 173.6 | -67 | -179.9 | 177.4 | 179.9 | 0 | 110.5 | ||
| 323 | K | 42.8 | Very low | 42 | Very low | 208 Ų | 208 | 146.1 Ų | 146.1 | 90% | 0.904 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 127.6 | 169.5 | -76.1 | -179.5 | 176.9 | 176.2 | 0 | 109.5 | P321 | P321-K323 PolarHBondContact O-N 2.95Š|
| 324 | K | 46.8 | Very low | 43.6 | Very low | 195 Ų | 195 | 144.3 Ų | 144.3 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 137.8 | 170 | -68.4 | -177.3 | 178.5 | -179 | 0 | 109.4 | K326 | K324-K326 PolarHBondContact O-N 3.14Š|
| 325 | P | 43.8 | Very low | 44.6 | Very low | 118 Ų | 118 | 143.2 Ų | 143.2 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 134.3 | 173.9 | 26.4 | -31.8 | 0 | 0 | 0 | 109.9 | T327 | P325-T327 PolarHBondContact O-N 2.93Š|
| 326 | K | 45.3 | Very low | 45.6 | Very low | 207 Ų | 207 | 144 Ų | 144 | 90% | 0.9 | 79% | 0.791 | S | S | * | * | trans | -72.5 | 111.7 | 169 | -86.3 | -178.2 | 174.4 | -178.8 | 0 | 107.7 | K324 | K324-K326 PolarHBondContact O-N 3.14Š| ||
| 327 | T | 51.3 | Low | 46.9 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -84.9 | 119.1 | 169 | -38.4 | 0 | 0 | 0 | 0 | 108 | P325 | P325-T327 PolarHBondContact O-N 2.93Š| ||
| 328 | T | 44.4 | Very low | 48.2 | Very low | 121 Ų | 121 | 147.8 Ų | 147.8 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | -95.9 | 111 | 170.6 | -35.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 329 | N | 49 | Very low | 49.2 | Very low | 152 Ų | 152 | 151.1 Ų | 151.1 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | -77.9 | 122.4 | 171.4 | -103.2 | -27.5 | 0 | 0 | 0 | 108.4 | ||||
| 330 | I | 56.1 | Low | 50.2 | Low | 139 Ų | 139 | 148 Ų | 148 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | trans | -100.3 | 109.5 | 171.6 | -58.6 | 174.6 | 0 | 0 | 0 | 106.5 | L332 | I330-L332 PolarHBondContact O-N 3.31Š| ||
| 331 | E | 52.7 | Low | 50.6 | Low | 179 Ų | 179 | 148.5 Ų | 148.5 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | -79 | 112.9 | 173.4 | -74.3 | -178.5 | 170.3 | 0 | 0 | 109.4 | ||||
| 332 | L | 54.3 | Low | 51 | Low | 138 Ų | 138 | 148.1 Ų | 148.1 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | trans | -82.3 | 116.4 | 171.5 | -64.5 | 171.9 | 0 | 0 | 0 | 108.8 | I330 V335 | I330-L332 PolarHBondContact O-N 3.31Å; L332-V335 HydrophobicContact CB-CG2 4.17Å | ||
| 333 | Q | 51.8 | Low | 51.3 | Low | 194 Ų | 194 | 145.7 Ų | 145.7 | 91% | 0.907 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 127.7 | 173.9 | -70.3 | -173 | -6.1 | 0 | 0 | 110.4 | ||
| 334 | G | 60.1 | Low | 51.5 | Low | 75 Ų | 75 | 142.7 Ų | 142.7 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 110.1 | 12.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | P336 | G334-P336 WeakPolarHBondContact O-CD 3.47Š|
| 335 | V | 51.3 | Low | 51.4 | Low | 92 Ų | 92 | 136.4 Ų | 136.4 | 56% | 0.558 | 76% | 0.761 | S | S | * | * | trans | -77.2 | 123.6 | 174 | -169.9 | 0 | 0 | 0 | 0 | 109.8 | L332 N337 | L332-V335 HydrophobicContact CB-CG2 4.17Å; V335-N337 PolarHBondContact O-N 3.4Å | ||
| 336 | P | 52.3 | Low | 51.2 | Low | 111 Ų | 111 | 137.3 Ų | 137.3 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -62.2 | 118.8 | 171.6 | -19.7 | 32.4 | 0 | 0 | 0 | 109.9 | G334 D338 | G334-P336 WeakPolarHBondContact O-CD 3.47Å; P336-D338 VanDerWaalsContact C-N 3.26Å; P336-D338 PolarHBondContact O-N 3.49Å | ||
| 337 | N | 58 | Low | 50.8 | Low | 154 Ų | 154 | 137.6 Ų | 137.6 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | 6.9 | -170.2 | -90.5 | -24.6 | 0 | 0 | 0 | 115.7 | V335 | V335-N337 PolarHBondContact O-N 3.4Š|
| 338 | D | 55.9 | Low | 50.1 | Low | 155 Ų | 155 | 134.7 Ų | 134.7 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 22.2 | -165.9 | -91.3 | -25.1 | 0 | 0 | 0 | 116.9 | P336 | P336-D338 VanDerWaalsContact C-N 3.26Å; P336-D338 PolarHBondContact O-N 3.49Å |
| 339 | E | 53.8 | Low | 49.5 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | trans | -108.4 | 101.6 | 167.8 | -74 | -168 | 166.8 | 0 | 0 | 112.2 | H341 | E339-H341 PolarHBondContact O-N 3.37Š| ||
| 340 | V | 58.3 | Low | 48.7 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | -68.6 | 123 | 170.9 | -178.9 | 0 | 0 | 0 | 0 | 109 | L344 | V340-L344 HydrophobicContact CG1-CB 4.32Š| ||
| 341 | H | 50.1 | Low | 47.5 | Very low | 121 Ų | 121 | 136.3 Ų | 136.3 | 56% | 0.56 | 77% | 0.772 | S | S | * | * | trans | -55.4 | 135.8 | 179.6 | -160.5 | -86 | 0 | 0 | 0 | 111.5 | E339 L343 L344 | E339-H341 PolarHBondContact O-N 3.37Å; H341-L343 PolarHBondContact O-N 3.41Å; H341-L344 PolarHBondContact O-N 3.23Å; H341-L344 VanDerWaalsContact O-N 3.14Å | ||
| 342 | P | 50.6 | Low | 46.6 | Very low | 114 Ų | 114 | 133.3 Ų | 133.3 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -10.2 | -170.7 | -22.9 | 31.9 | 0 | 0 | 0 | 116.1 | ||
| 343 | L | 48.6 | Very low | 45.5 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 79% | 0.791 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -5.6 | -177 | -73.3 | 166.9 | 0 | 0 | 0 | 114 | H341 | H341-L343 PolarHBondContact O-N 3.41Š|
| 344 | L | 46.8 | Very low | 44.5 | Very low | 145 Ų | 145 | 136.9 Ų | 136.9 | 76% | 0.759 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -97.1 | 0.1 | 179.1 | -69 | 171.4 | 0 | 0 | 0 | 113.6 | V340 H341 | V340-L344 HydrophobicContact CG1-CB 4.32Å; H341-L344 PolarHBondContact O-N 3.23Å; H341-L344 VanDerWaalsContact O-N 3.14Å |
| 345 | G | 45.5 | Very low | 43 | Very low | 63 Ų | 63 | 143.4 Ų | 143.4 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | trans | -105.9 | 25.3 | -167.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 346 | V | 39.8 | Very low | 41.9 | Very low | 138 Ų | 138 | 148 Ų | 148 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | trans | -133.6 | 91.6 | 176.8 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 347 | K | 36.4 | Very low | 40.9 | Very low | 213 Ų | 213 | 147.7 Ų | 147.7 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | trans | -124.8 | 112.7 | 158.1 | -117.4 | -177.4 | -178.2 | 176.5 | 0 | 109.5 | ||||
| 348 | G | 35.6 | Very low | 39.4 | Very low | 64 Ų | 64 | 143.8 Ų | 143.8 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | trans | 86.4 | 113 | 154 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 349 | D | 32.4 | Very low | 38.2 | Very low | 176 Ų | 176 | 146 Ų | 146 | 94% | 0.941 | 80% | 0.8 | S | S | * | * | -173.3 | 141 | 95.3 | -95.6 | -30.9 | 0 | 0 | 0 | 113.1 | |||||
| 350 | G | 31.5 | Very low | 37.3 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | -85.3 | 149.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 351 | K | 32 | Very low | 36 | Very low | 203 Ų | 203 | 145.4 Ų | 145.4 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | 157.7 | 113.5 | 128.8 | -92.4 | 174.6 | 179.3 | 170.4 | 0 | 109.9 | |||||
| 352 | S | 33 | Very low | 35 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 81% | 0.811 | 81% | 0.809 | S | S | * | * | trans | -177.4 | 114.1 | 134.5 | 42.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 353 | K | 31.6 | Very low | 34 | Very low | 210 Ų | 210 | 143.2 Ų | 143.2 | 91% | 0.913 | 81% | 0.811 | S | S | * | * | trans | 55.8 | 102 | 138.4 | -69.6 | -179.4 | 177.8 | 173.9 | 0 | 121 | ||||
| 354 | K | 30.3 | Very low | 33.1 | Very low | 197 Ų | 197 | 146.6 Ų | 146.6 | 86% | 0.857 | 82% | 0.819 | S | S | * | * | trans | -37 | 129.4 | 148.5 | -155.5 | 177.5 | -166.9 | 176.3 | 0 | 114.3 | ||||
| 355 | K | 30.2 | Very low | 32.3 | Very low | 212 Ų | 212 | 143 Ų | 143 | 92% | 0.922 | 82% | 0.817 | S | S | * | * | trans | -146.4 | 133.5 | 146.7 | -102.2 | -173.3 | 179.5 | -178 | 0 | 110.8 | ||||
| 356 | Q | 27.6 | Very low | 31.6 | Very low | 189 Ų | 189 | 148.6 Ų | 148.6 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -73.9 | 147.7 | 179.4 | -76.6 | 169.8 | -31.9 | 0 | 0 | 113 | ||||
| 357 | A | 30.5 | Very low | 31.1 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 175.9 | 131.5 | 130.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 358 | G | 27.7 | Very low | 30.8 | Very low | 73 Ų | 73 | 146.7 Ų | 146.7 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | cis | 117.2 | 94.5 | 38.3 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 359 | R | 30.6 | Very low | 30.5 | Very low | 200 Ų | 200 | 150.7 Ų | 150.7 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | trans | -54.8 | 151.9 | 172.5 | -172.6 | -173.1 | -173.4 | 179.5 | 10.6 | 110.8 | ||||
| 360 | P | 34.4 | Very low | 30.5 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | -137.8 | 135.8 | 126.1 | 21.6 | -1.8 | 0 | 0 | 0 | 114.1 | |||||
| 361 | K | 30.1 | Very low | 31 | Very low | 171 Ų | 171 | 149.1 Ų | 149.1 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -94.1 | 126.1 | 154.6 | -90.8 | -163.3 | 175 | -176.6 | 0 | 108.1 | ||||
| 362 | G | 29.3 | Very low | 30.7 | Very low | 78 Ų | 78 | 149.7 Ų | 149.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | 61.5 | 132.7 | 134.4 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 363 | S | 30.3 | Very low | 30.7 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -171.5 | 113.9 | 138.9 | 59.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 364 | K | 29 | Very low | 30.7 | Very low | 223 Ų | 223 | 149.4 Ų | 149.4 | 97% | 0.97 | 80% | 0.802 | S | S | * | * | 78.4 | 130.3 | 93.1 | -82.4 | -166.2 | 178 | -179.7 | 0 | 116.4 | |||||
| 365 | G | 30.1 | Very low | 30.7 | Very low | 68 Ų | 68 | 149.7 Ų | 149.7 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | 137.7 | 94.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 366 | K | 31.8 | Very low | 30.6 | Very low | 181 Ų | 181 | 147.5 Ų | 147.5 | 79% | 0.787 | 80% | 0.801 | S | S | * | * | 74.8 | 137 | 87.3 | -83.6 | -163.3 | 173.2 | -136.9 | 0 | 112.2 | |||||
| 367 | E | 29.6 | Very low | 30.6 | Very low | 138 Ų | 138 | 149.4 Ų | 149.4 | 65% | 0.645 | 80% | 0.801 | S | S | * | * | cis | -175.6 | 177.1 | 7.6 | -129.9 | 169.3 | -151.6 | 0 | 0 | 109.2 | ||||
| 368 | K | 29.6 | Very low | 30.5 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | trans | 103.7 | 98 | 161.1 | -59 | -163.1 | 175.6 | -177.4 | 0 | 115.8 | ||||
| 369 | D | 28.4 | Very low | 30.5 | Very low | 147 Ų | 147 | 153.7 Ų | 153.7 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | 92 | 133.7 | 77.3 | -85.1 | -33.3 | 0 | 0 | 0 | 109.5 | |||||
| 370 | S | 33.3 | Very low | 30.5 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | cis | -176.4 | -164.6 | -0.6 | 53.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 371 | P | 40.8 | Very low | 30.3 | Very low | 105 Ų | 105 | 156.5 Ų | 156.5 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | -125.4 | 164.3 | -86.2 | 37.8 | -20.5 | 0 | 0 | 0 | 114.4 | |||||
| 372 | F | 26.9 | Very low | 30.2 | Very low | 216 Ų | 216 | 152.1 Ų | 152.1 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -150.9 | 127.4 | 148.5 | -123.1 | -88.9 | 0 | 0 | 0 | 110.9 | ||||
| 373 | K | 32.8 | Very low | 30.3 | Very low | 191 Ų | 191 | 155.7 Ų | 155.7 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 148.3 | 177.9 | -69.9 | -178.7 | 176.2 | -179.6 | 0 | 110.6 | ||
| 374 | P | 31.5 | Very low | 30.7 | Very low | 128 Ų | 128 | 156.6 Ų | 156.6 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 140.2 | 161.6 | 30.7 | -22.7 | 0 | 0 | 0 | 111.5 | ||
| 375 | K | 29.7 | Very low | 30.7 | Very low | 204 Ų | 204 | 153.1 Ų | 153.1 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 135 | 171.7 | -87.1 | -172.8 | 176.9 | 179.6 | 0 | 110.6 | ||
| 376 | L | 29.1 | Very low | 30.6 | Very low | 165 Ų | 165 | 159.2 Ų | 159.2 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 148.1 | 156.3 | -95.2 | 78.4 | 0 | 0 | 0 | 111 | ||
| 377 | Y | 27.3 | Very low | 30.4 | Very low | 229 Ų | 229 | 154 Ų | 154 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -140.7 | 131.6 | 153 | -133.1 | -99.5 | 0 | 0 | 0 | 111.9 | ||||
| 378 | K | 29.3 | Very low | 30.3 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -77.2 | 154 | 168.5 | -79 | 179.7 | 171.1 | -179 | 0 | 109.9 | ||||
| 379 | G | 27.5 | Very low | 30.3 | Very low | 75 Ų | 75 | 150 Ų | 150 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -75.5 | 165.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 380 | D | 29.2 | Very low | 30.3 | Very low | 148 Ų | 148 | 153 Ų | 153 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | -159.7 | 162.9 | 136.7 | -142.6 | -12.8 | 0 | 0 | 0 | 111.3 | ||||
| 381 | R | 31.4 | Very low | 30.1 | Very low | 237 Ų | 237 | 151.8 Ų | 151.8 | 89% | 0.894 | 83% | 0.826 | S | S | * | * | trans | -48.7 | 160.5 | -168.7 | -67.1 | 152.8 | 175.3 | -164.7 | -2.4 | 120.4 | ||||
| 382 | G | 27.3 | Very low | 29.5 | Very low | 79 Ų | 79 | 157 Ų | 157 | 81% | 0.814 | 84% | 0.838 | S | S | * | * | trans | 171.8 | 103.3 | 148.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 383 | L | 31.7 | Very low | 29.8 | Very low | 153 Ų | 153 | 153.7 Ų | 153.7 | 80% | 0.801 | 84% | 0.835 | S | S | * | * | trans | -70.8 | 166.8 | 164.4 | -69.6 | 163 | 0 | 0 | 0 | 110.6 | ||||
| 384 | P | 37.9 | Very low | 29.5 | Very low | 130 Ų | 130 | 152.4 Ų | 152.4 | 84% | 0.844 | 83% | 0.832 | S | S | * | * | -136 | 162.2 | 78 | 23.3 | -1 | 0 | 0 | 0 | 115.9 | |||||
| 385 | L | 30.1 | Very low | 29.5 | Very low | 149 Ų | 149 | 151.3 Ų | 151.3 | 78% | 0.78 | 83% | 0.834 | S | S | * | * | trans | -86.4 | 177.8 | 174.5 | -89.6 | 153.4 | 0 | 0 | 0 | 112.7 | ||||
| 386 | E | 27.4 | Very low | 29.4 | Very low | 197 Ų | 197 | 149.1 Ų | 149.1 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | 99.2 | 129 | 167 | -59.8 | -162.9 | 151.6 | 0 | 0 | 115.7 | ||||
| 387 | G | 27.6 | Very low | 29.5 | Very low | 70 Ų | 70 | 147.8 Ų | 147.8 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | cis | 162.4 | 140.5 | 0.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 388 | S | 26.9 | Very low | 29.6 | Very low | 107 Ų | 107 | 142.9 Ų | 142.9 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | trans | 68.6 | 119.4 | 147.9 | -161 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 389 | T | 29.8 | Very low | 29.6 | Very low | 122 Ų | 122 | 141.8 Ų | 141.8 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | 174.3 | 125.9 | 97.5 | 33.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 390 | K | 29.4 | Very low | 29.6 | Very low | 210 Ų | 210 | 144 Ų | 144 | 91% | 0.913 | 82% | 0.82 | S | S | * | * | trans | 28.8 | 130.9 | 140 | -63.1 | -178.4 | 177.5 | 178.1 | 0 | 121.8 | ||||
| 391 | G | 29.2 | Very low | 29.7 | Very low | 79 Ų | 79 | 145 Ų | 145 | 81% | 0.814 | 83% | 0.825 | S | S | * | * | trans | -168.7 | 89.4 | 151.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 392 | K | 28.5 | Very low | 29.6 | Very low | 214 Ų | 214 | 138.6 Ų | 138.6 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -73.6 | 132.7 | 164.2 | -92.5 | -178.9 | 169.5 | -175.7 | 0 | 108.8 | ||||
| 393 | V | 31.5 | Very low | 29.6 | Very low | 147 Ų | 147 | 139 Ų | 139 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | trans | -137.7 | 129.2 | 145.9 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 394 | Q | 28 | Very low | 29.4 | Very low | 165 Ų | 165 | 135.7 Ų | 135.7 | 77% | 0.771 | 83% | 0.829 | S | S | * | * | trans | -94.2 | 138.2 | 178.9 | -174.8 | 175.9 | 12.7 | 0 | 0 | 107.5 | ||||
| 395 | A | 29.8 | Very low | 29.1 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -143.8 | 123.1 | 160 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 396 | E | 29.3 | Very low | 29.3 | Very low | 159 Ų | 159 | 135 Ų | 135 | 74% | 0.743 | 83% | 0.831 | S | S | * | * | trans | -81.8 | 148.2 | -177 | -74.4 | 178.2 | 137.1 | 0 | 0 | 112.9 | ||||
| 397 | L | 30 | Very low | 29.4 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 72% | 0.717 | 82% | 0.822 | S | S | * | * | trans | 36.7 | 120 | 137 | -75 | 135.4 | 0 | 0 | 0 | 120.6 | ||||
| 398 | S | 29 | Very low | 29.6 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | -142.6 | 117.7 | 124.4 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 399 | Q | 29.9 | Very low | 29.7 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 80% | 0.799 | 83% | 0.833 | S | S | * | * | trans | -78.7 | 139.9 | 164.5 | -82.6 | 172.9 | -27.5 | 0 | 0 | 109.1 | ||||
| 400 | S | 28.1 | Very low | 29.9 | Very low | 120 Ų | 120 | 143.7 Ų | 143.7 | 84% | 0.839 | 86% | 0.855 | S | S | * | * | trans | -137.8 | 120.3 | 149.9 | 68.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 401 | L | 30 | Very low | 29.9 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 90% | 0.895 | 85% | 0.852 | S | S | * | * | trans | -78.4 | 134 | 171.8 | -79 | 153 | 0 | 0 | 0 | 111 | ||||
| 402 | A | 31 | Very low | 30 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 84% | 0.843 | 85% | 0.854 | S | S | * | * | trans | 169.4 | 119.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 403 | G | 27.3 | Very low | 30.1 | Very low | 86 Ų | 86 | 139.7 Ų | 139.7 | 89% | 0.887 | 85% | 0.85 | S | S | * | * | cis | 100.8 | 96.1 | 40.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 404 | G | 27.2 | Very low | 30 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 88% | 0.876 | 85% | 0.847 | S | S | * | * | trans | 167.8 | 87 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 405 | A | 31.8 | Very low | 30.1 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 80% | 0.802 | 85% | 0.852 | S | S | * | * | trans | -76 | 140.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 406 | I | 32.8 | Very low | 30.1 | Very low | 168 Ų | 168 | 139.9 Ų | 139.9 | 86% | 0.862 | 85% | 0.852 | S | S | * | * | trans | -154.7 | 97.1 | 152.2 | -55.3 | -174.6 | 0 | 0 | 0 | 106.1 | ||||
| 407 | S | 29.5 | Very low | 30.2 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 86% | 0.859 | S | S | * | * | 70.9 | 105.7 | 105.2 | -161.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 408 | E | 32.8 | Very low | 30.2 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 79% | 0.79 | 87% | 0.87 | S | S | * | * | trans | -55.4 | 155.1 | 155.9 | -64.5 | 169.9 | 144 | 0 | 0 | 111.6 | ||||
| 409 | L | 29 | Very low | 30.3 | Very low | 174 Ų | 174 | 139.8 Ų | 139.8 | 91% | 0.911 | 87% | 0.87 | S | S | * | * | trans | -155.2 | 104.4 | 146.7 | -101.1 | 159.1 | 0 | 0 | 0 | 106 | ||||
| 410 | L | 34.2 | Very low | 30.3 | Very low | 231 Ų | 231 | 137 Ų | 137 | 100% | 1.209 | 88% | 0.876 | S | S | * | * | trans | -83.2 | 0 | 168.1 | -89 | 161 | 0 | 0 | 0 | 110 |
Retrieved 410 of 410 residues in 117.2 ms
(Link to these results)