| 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 | V | 94.9 | Very high | 93 | Very high | 22 Ų | 22 | 57.1 Ų | 57.1 | 13% | 0.133 | 37% | 0.372 | C | S | . | . | 0 | 134.6 | 0 | 63.1 | 0 | 0 | 0 | 0 | 107.8 | Q13 R14 I16 Y23 I25 I36 H37 L38 | V1-Q13 WeakPolarHBondContact O-CA 3.44Å; V1-R14 HydrophobicContact CG1-CB 3.81Å; V1-R14 PolarHBondContact N-O 2.82Å; V1-R14 PolarHBondContact O-N 2.99Å; V1-I16 HydrophobicContact CB-CD1 4.03Å; V1-I16 HydrophobicContact CG1-CD1 3.65Å; V1-I16 HydrophobicContact CG1-CG1 4.14Å; V1-Y23 HydrophobicContact CG1-CD1 4.33Å; V1-Y23 HydrophobicContact CG1-CE1 4.22Å; V1-I25 HydrophobicContact CG1-CD1 4.45Å; V1-I25 HydrophobicContact CG1-CG1 4.4Å; V1-I25 HydrophobicContact CG2-CD1 3.9Å; V1-I36 HydrophobicContact CG2-CG2 3.57Å; V1-H37 CarbonylContact C-O 3.55Å; V1-H37 VanDerWaalsContact CA-O 3.32Å; V1-H37 WeakPolarHBondContact CA-O 3.38Å; V1-L38 HydrophobicContact CB-CD1 3.98Å; V1-L38 HydrophobicContact CG2-CD1 4.18Å | |||
| 2 | D | 96 | Very high | 93.3 | Very high | 22 Ų | 22 | 54.2 Ų | 54.2 | 12% | 0.118 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 120.9 | -175.5 | -51.2 | -13.1 | 0 | 0 | 0 | 107.4 | Q13 I36 H37 Y39 R46 | D2-Q13 WeakPolarHBondContact OD1-CG 3.39Å; D2-I36 CarbonylContact O-C 3.58Å; D2-I36 WeakPolarHBondContact O-CA 3.04Å; D2-H37 HydrophobicContact CB-CB 4.42Å; D2-H37 PolarHBondContact N-O 2.87Å; D2-H37 PolarHBondContact O-N 3.01Å; D2-Y39 HydrophobicContact CB-CE2 4.41Å; D2-Y39 WeakPolarHBondContact OD2-CE2 3.36Å; D2-R46 IonicContact OD2-CZ 3.32Å; D2-R46 IonicContact OD2-NH2 3.21Å; D2-R46 PolarHBondContact OD2-NH2 3.18Å |
| 3 | A | 97.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 108.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | P11 V12 I25 L28 Y34 I36 | A3-P11 CarbonylContact O-C 3.58Å; A3-P11 VanDerWaalsContact O-CA 3.26Å; A3-P11 WeakPolarHBondContact O-CA 3.42Å; A3-V12 HydrophobicContact CB-CB 4.36Å; A3-V12 PolarHBondContact N-O 2.83Å; A3-V12 PolarHBondContact O-N 2.86Å; A3-I25 HydrophobicContact CB-CD1 4.39Å; A3-I25 HydrophobicContact CB-CG2 4.41Å; A3-L28 HydrophobicContact CB-CD2 4.01Å; A3-Y34 HydrophobicContact CB-CD1 3.85Å; A3-Y34 HydrophobicContact CB-CE1 4.33Å; A3-I36 HydrophobicContact CB-CG1 4.43Å |
| 4 | I | 97.1 | Very high | 93.6 | Very high | 60 Ų | 60 | 62.5 Ų | 62.5 | 31% | 0.308 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 113.5 | -174.5 | -57.8 | 164.9 | 0 | 0 | 0 | 108.6 | P11 Y34 K35 H37 | I4-P11 HydrophobicContact CG1-CB 4.11Å; I4-P11 HydrophobicContact CG1-CG 4.17Å; I4-P11 HydrophobicContact CG2-CG 4.43Å; I4-Y34 WeakPolarHBondContact O-CA 3.35Å; I4-K35 HydrophobicContact CB-CB 4.45Å; I4-K35 PolarHBondContact N-O 2.59Å; I4-K35 PolarHBondContact O-N 2.95Å; I4-H37 VanDerWaalsContact CD1-CE1 3.48Å; I4-H37 WeakPolarHBondContact CD1-CE1 3.42Å |
| 5 | P | 96 | Very high | 93.7 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.039 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 139.3 | -178.8 | 31 | -34.1 | 0 | 0 | 0 | 111.4 | N7 G8 Q9 T32 Y34 | P5-N7 WeakPolarHBondContact CB-OD1 2.88Å; P5-N7 PolarHBondContact O-N 3.01Å; P5-G8 PolarHBondContact O-N 3.48Å; P5-Q9 HydrophobicContact CG-CB 3.77Å; P5-Q9 WeakPolarHBondContact CG-O 3.35Å; P5-T32 HydrophobicContact CB-CG2 3.92Å; P5-Y34 HydrophobicContact CB-CD1 3.96Å; P5-Y34 HydrophobicContact CB-CE1 3.51Å; P5-Y34 HydrophobicContact CG-CE1 4.14Å |
| 6 | A | 91.8 | Very high | 93.7 | Very high | 82 Ų | 82 | 64.5 Ų | 64.5 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -15.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G8 D33 | A6-G8 VanDerWaalsContact C-N 3.26Å; A6-G8 PolarHBondContact O-N 3.35Å; A6-D33 HydrophobicContact CB-CB 4.08Å; A6-D33 WeakPolarHBondContact CB-O 3.27Å; A6-D33 PolarHBondContact N-O 3.01Å |
| 7 | N | 87.9 | Confident | 93.8 | Very high | 67 Ų | 67 | 64.9 Ų | 64.9 | 36% | 0.358 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 4.7 | -179.3 | 69.6 | 9.3 | 0 | 0 | 0 | 113.9 | P5 Q9 Q29 | P5-N7 WeakPolarHBondContact CB-OD1 2.88Å; P5-N7 PolarHBondContact O-N 3.01Å; N7-Q9 VanDerWaalsContact C-N 3.34Å; N7-Q9 PolarHBondContact ND2-OE1 3.17Å; N7-Q9 PolarHBondContact O-N 3.29Å; N7-Q9 VanDerWaalsContact OD1-CB 3.25Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.04Å; N7-Q9 VanDerWaalsContact OD1-CG 3.27Å; N7-Q9 WeakPolarHBondContact OD1-CG 3.43Å; N7-Q9 PolarHBondContact OD1-N 2.86Å; N7-Q29 PolarHBondContact ND2-OE1 3.12Å |
| 8 | G | 85.8 | Confident | 93.8 | Very high | 74 Ų | 74 | 67.8 Ų | 67.8 | 76% | 0.763 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 80 | 6.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | P5 A6 | P5-G8 PolarHBondContact O-N 3.48Å; A6-G8 VanDerWaalsContact C-N 3.26Å; A6-G8 PolarHBondContact O-N 3.35Å |
| 9 | Q | 88.9 | Confident | 93.9 | Very high | 96 Ų | 96 | 70.8 Ų | 70.8 | 45% | 0.449 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 170.2 | 173.3 | -71.6 | -178.2 | -20.3 | 0 | 0 | 112.9 | P5 N7 | P5-Q9 HydrophobicContact CG-CB 3.77Å; P5-Q9 WeakPolarHBondContact CG-O 3.35Å; N7-Q9 VanDerWaalsContact C-N 3.34Å; N7-Q9 PolarHBondContact ND2-OE1 3.17Å; N7-Q9 PolarHBondContact O-N 3.29Å; N7-Q9 VanDerWaalsContact OD1-CB 3.25Å; N7-Q9 WeakPolarHBondContact OD1-CB 3.04Å; N7-Q9 VanDerWaalsContact OD1-CG 3.27Å; N7-Q9 WeakPolarHBondContact OD1-CG 3.43Å; N7-Q9 PolarHBondContact OD1-N 2.86Å |
| 10 | T | 93 | Very high | 94 | Very high | 122 Ų | 122 | 69.8 Ų | 69.8 | 75% | 0.748 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 130.2 | 178.4 | 51.6 | 0 | 0 | 0 | 0 | 111.6 | ||
| 11 | P | 94.7 | Very high | 94 | Very high | 77 Ų | 77 | 76.5 Ų | 76.5 | 50% | 0.5 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 148.1 | 174.1 | -24.5 | 34.6 | 0 | 0 | 0 | 113 | A3 I4 | A3-P11 CarbonylContact O-C 3.58Å; A3-P11 VanDerWaalsContact O-CA 3.26Å; A3-P11 WeakPolarHBondContact O-CA 3.42Å; I4-P11 HydrophobicContact CG1-CB 4.11Å; I4-P11 HydrophobicContact CG1-CG 4.17Å; I4-P11 HydrophobicContact CG2-CG 4.43Å |
| 12 | V | 96.1 | Very high | 94 | Very high | 22 Ų | 22 | 80.5 Ų | 80.5 | 13% | 0.133 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 114.3 | 172.4 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | A3 I25 L28 | A3-V12 HydrophobicContact CB-CB 4.36Å; A3-V12 PolarHBondContact N-O 2.83Å; A3-V12 PolarHBondContact O-N 2.86Å; V12-I25 HydrophobicContact CG1-CG2 4.21Å; V12-L28 HydrophobicContact CB-CD2 4.02Å; V12-L28 HydrophobicContact CG1-CD2 4.37Å; V12-L28 HydrophobicContact CG2-CD2 3.95Å |
| 13 | Q | 95.8 | Very high | 94 | Very high | 132 Ų | 132 | 84 Ų | 84 | 62% | 0.617 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.7 | 178.8 | -177.7 | 167.4 | 5.3 | 0 | 0 | 111.5 | V1 D2 | V1-Q13 WeakPolarHBondContact O-CA 3.44Å; D2-Q13 WeakPolarHBondContact OD1-CG 3.39Å |
| 14 | R | 95.4 | Very high | 93.9 | Very high | 93 Ų | 93 | 89.1 Ų | 89.1 | 35% | 0.351 | 51% | 0.512 | S | S | . | . | trans | -137.8 | 139 | 176.1 | -61.3 | -67.3 | 178.2 | -109.1 | 3.6 | 111 | V1 Y23 | V1-R14 HydrophobicContact CG1-CB 3.81Å; V1-R14 PolarHBondContact N-O 2.82Å; V1-R14 PolarHBondContact O-N 2.99Å; R14-Y23 HydrophobicContact CB-CE1 3.96Å; R14-Y23 WeakPolarHBondContact CB-OH 3.36Å; R14-Y23 HydrophobicContact CG-CE1 4.16Å; R14-Y23 WeakPolarHBondContact CG-OH 3.47Å | ||
| 15 | S | 94.3 | Very high | 93.9 | Very high | 105 Ų | 105 | 87.8 Ų | 87.8 | 73% | 0.734 | 51% | 0.505 | S | S | * | . | trans | -92.2 | 139.4 | 167 | -160.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 16 | I | 95.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 91.6 Ų | 91.6 | 27% | 0.267 | 53% | 0.528 | S | S | . | . | trans | -121.7 | 135.7 | -176.6 | -56.9 | 171.7 | 0 | 0 | 0 | 107.1 | V1 V20 Y23 L38 | V1-I16 HydrophobicContact CB-CD1 4.03Å; V1-I16 HydrophobicContact CG1-CD1 3.65Å; V1-I16 HydrophobicContact CG1-CG1 4.14Å; I16-V20 HydrophobicContact CG2-CB 3.65Å; I16-V20 HydrophobicContact CG2-CG1 3.74Å; I16-V20 HydrophobicContact CG2-CG2 4.29Å; I16-Y23 HydrophobicContact CD1-CD1 3.66Å; I16-Y23 HydrophobicContact CD1-CD2 4.14Å; I16-Y23 HydrophobicContact CD1-CE1 4.27Å; I16-Y23 HydrophobicContact CD1-CG 3.58Å; I16-Y23 HydrophobicContact CG1-CD1 3.97Å; I16-Y23 HydrophobicContact CG1-CD2 3.82Å; I16-Y23 HydrophobicContact CG1-CE1 4.17Å; I16-Y23 HydrophobicContact CG1-CE2 4.03Å; I16-Y23 HydrophobicContact CG1-CG 3.79Å; I16-Y23 HydrophobicContact CG2-CD2 4.11Å; I16-Y23 HydrophobicContact CG2-CG 4.43Å; I16-L38 HydrophobicContact CD1-CD1 4.42Å | ||
| 17 | S | 94.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 90.9 Ų | 90.9 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | trans | -62 | 146 | 176.2 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | D19 V20 | S17-D19 WeakPolarHBondContact CB-OD1 3.23Å; S17-D19 PolarHBondContact O-N 2.96Å; S17-V20 WeakPolarHBondContact O-CB 3.12Å; S17-V20 PolarHBondContact O-N 3.27Å; S17-V20 VanDerWaalsContact O-N 3.13Å | ||
| 18 | P | 94.3 | Very high | 94.1 | Very high | 117 Ų | 117 | 89.8 Ų | 89.8 | 76% | 0.76 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -19.2 | -171.5 | 26.9 | -35.7 | 0 | 0 | 0 | 114.5 | R21 | P18-R21 PolarHBondContact O-NH1 3.09Š|
| 19 | D | 95.3 | Very high | 94.5 | Very high | 124 Ų | 124 | 88.3 Ų | 88.3 | 66% | 0.663 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -15.4 | 177.7 | 61.1 | -46.3 | 0 | 0 | 0 | 113.3 | S17 | S17-D19 WeakPolarHBondContact CB-OD1 3.23Å; S17-D19 PolarHBondContact O-N 2.96Å |
| 20 | V | 96.6 | Very high | 94.8 | Very high | 50 Ų | 50 | 84.4 Ų | 84.4 | 30% | 0.303 | 48% | 0.479 | S | S | . | . | trans | -78.2 | 137.2 | -177.2 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | I16 S17 S22 | I16-V20 HydrophobicContact CG2-CB 3.65Å; I16-V20 HydrophobicContact CG2-CG1 3.74Å; I16-V20 HydrophobicContact CG2-CG2 4.29Å; S17-V20 WeakPolarHBondContact O-CB 3.12Å; S17-V20 PolarHBondContact O-N 3.27Å; S17-V20 VanDerWaalsContact O-N 3.13Å; V20-S22 WeakPolarHBondContact CG1-O 3.41Å | ||
| 21 | R | 93.9 | Very high | 94.9 | Very high | 212 Ų | 212 | 78.7 Ų | 78.7 | 80% | 0.8 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -119.6 | -6.9 | 176.2 | -60.7 | -67.3 | 174.8 | -98.4 | -0.5 | 113.8 | P18 | P18-R21 PolarHBondContact O-NH1 3.09Š|
| 22 | S | 95.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 75.4 Ų | 75.4 | 74% | 0.741 | 42% | 0.423 | S | S | * | . | trans | -139.7 | 131.8 | 175 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | V20 | V20-S22 WeakPolarHBondContact CG1-O 3.41Š| ||
| 23 | Y | 94.9 | Very high | 94.7 | Very high | 94 Ų | 94 | 77.4 Ų | 77.4 | 37% | 0.369 | 43% | 0.433 | S | S | . | . | trans | -143.6 | 134.7 | -175.8 | -173.6 | -98.1 | 0 | 0 | 0 | 111.3 | V1 R14 I16 I25 | V1-Y23 HydrophobicContact CG1-CD1 4.33Å; V1-Y23 HydrophobicContact CG1-CE1 4.22Å; R14-Y23 HydrophobicContact CB-CE1 3.96Å; R14-Y23 WeakPolarHBondContact CB-OH 3.36Å; R14-Y23 HydrophobicContact CG-CE1 4.16Å; R14-Y23 WeakPolarHBondContact CG-OH 3.47Å; I16-Y23 HydrophobicContact CD1-CD1 3.66Å; I16-Y23 HydrophobicContact CD1-CD2 4.14Å; I16-Y23 HydrophobicContact CD1-CE1 4.27Å; I16-Y23 HydrophobicContact CD1-CG 3.58Å; I16-Y23 HydrophobicContact CG1-CD1 3.97Å; I16-Y23 HydrophobicContact CG1-CD2 3.82Å; I16-Y23 HydrophobicContact CG1-CE1 4.17Å; I16-Y23 HydrophobicContact CG1-CE2 4.03Å; I16-Y23 HydrophobicContact CG1-CG 3.79Å; I16-Y23 HydrophobicContact CG2-CD2 4.11Å; I16-Y23 HydrophobicContact CG2-CG 4.43Å; Y23-I25 HydrophobicContact CD1-CG1 3.99Å; Y23-I25 HydrophobicContact CE1-CG1 4.04Å | ||
| 24 | T | 95.5 | Very high | 94.7 | Very high | 109 Ų | 109 | 71.6 Ų | 71.6 | 67% | 0.669 | 41% | 0.406 | S | S | * | . | trans | -102.1 | 118.8 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | T26 | T24-T26 HydrophobicContact CG2-CG2 4.37Å; T24-T26 PolarHBondContact O-N 3.23Å | ||
| 25 | I | 95.9 | Very high | 94.8 | Very high | 32 Ų | 32 | 72.6 Ų | 72.6 | 16% | 0.164 | 41% | 0.413 | C | S | . | . | trans | -81 | 117 | 175.9 | -52 | 168.3 | 0 | 0 | 0 | 108.5 | V1 A3 V12 Y23 L28 I36 | V1-I25 HydrophobicContact CG1-CD1 4.45Å; V1-I25 HydrophobicContact CG1-CG1 4.4Å; V1-I25 HydrophobicContact CG2-CD1 3.9Å; A3-I25 HydrophobicContact CB-CD1 4.39Å; A3-I25 HydrophobicContact CB-CG2 4.41Å; V12-I25 HydrophobicContact CG1-CG2 4.21Å; Y23-I25 HydrophobicContact CD1-CG1 3.99Å; Y23-I25 HydrophobicContact CE1-CG1 4.04Å; I25-L28 HydrophobicContact CB-CD1 4.34Å; I25-L28 HydrophobicContact CG2-CD1 4.25Å; I25-L28 HydrophobicContact CG2-CD2 3.76Å; I25-L28 HydrophobicContact CG2-CG 4.11Å; I25-I36 HydrophobicContact CD1-CD1 4.12Å; I25-I36 HydrophobicContact CD1-CG1 4.38Å; I25-I36 HydrophobicContact CD1-CG2 3.93Å | ||
| 26 | T | 94.8 | Very high | 95 | Very high | 85 Ų | 85 | 68.9 Ų | 68.9 | 52% | 0.521 | 38% | 0.384 | S | S | . | . | trans | -104.5 | 160.6 | -179.4 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | T24 | T24-T26 HydrophobicContact CG2-CG2 4.37Å; T24-T26 PolarHBondContact O-N 3.23Å | ||
| 27 | G | 92.1 | Very high | 95.1 | Very high | 68 Ų | 68 | 68 Ų | 68 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 78.7 | 21.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 28 | L | 94.7 | Very high | 95.2 | Very high | 43 Ų | 43 | 68.1 Ų | 68.1 | 23% | 0.225 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -78.5 | 152.5 | 173 | -56.4 | -174.6 | 0 | 0 | 0 | 111 | A3 V12 I25 Y34 T56 | A3-L28 HydrophobicContact CB-CD2 4.01Å; V12-L28 HydrophobicContact CB-CD2 4.02Å; V12-L28 HydrophobicContact CG1-CD2 4.37Å; V12-L28 HydrophobicContact CG2-CD2 3.95Å; I25-L28 HydrophobicContact CB-CD1 4.34Å; I25-L28 HydrophobicContact CG2-CD1 4.25Å; I25-L28 HydrophobicContact CG2-CD2 3.76Å; I25-L28 HydrophobicContact CG2-CG 4.11Å; L28-Y34 HydrophobicContact CB-CE2 3.99Å; L28-Y34 HydrophobicContact CD1-CD2 4.45Å; L28-Y34 HydrophobicContact CD1-CE2 4.35Å; L28-Y34 HydrophobicContact CD2-CD1 4.48Å; L28-Y34 HydrophobicContact CD2-CE1 3.93Å; L28-Y34 HydrophobicContact CD2-CE2 4.42Å; L28-Y34 HydrophobicContact CG-CE2 4.49Å; L28-T56 HydrophobicContact CB-CG2 3.85Å; L28-T56 HydrophobicContact CD1-CG2 3.9Å |
| 29 | Q | 94.2 | Very high | 95.3 | Very high | 43 Ų | 43 | 64.7 Ų | 64.7 | 20% | 0.201 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -77.6 | 133.9 | 174.6 | -171.9 | -179.6 | 2.7 | 0 | 0 | 109.8 | N7 T32 Y34 T56 | N7-Q29 PolarHBondContact ND2-OE1 3.12Å; Q29-T32 WeakPolarHBondContact O-CB 3.37Å; Q29-T32 PolarHBondContact O-OG1 3.18Å; Q29-Y34 PolarHBondContact N-OH 3.18Å; Q29-T56 PolarHBondContact O-OG1 2.97Å |
| 30 | P | 94.9 | Very high | 95.3 | Very high | 15 Ų | 15 | 63.8 Ų | 63.8 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 153.9 | 174.4 | -22.8 | 33 | 0 | 0 | 0 | 113.4 | T32 D59 A83 | P30-T32 PolarHBondContact O-N 3.2Å; P30-T32 VanDerWaalsContact O-N 3.17Å; P30-T32 PolarHBondContact O-OG1 3.16Å; P30-D59 HydrophobicContact CB-CB 3.89Å; P30-D59 WeakPolarHBondContact CB-OD1 3.29Å; P30-D59 HydrophobicContact CG-CB 4.05Å; P30-A83 HydrophobicContact CB-CB 4.3Å |
| 31 | G | 93.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 36.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T56 A57 K132 | G31-T56 WeakPolarHBondContact CA-O 3.04Å; G31-T56 PolarHBondContact N-O 3.48Å; G31-T56 PolarHBondContact N-OG1 3.05Å; G31-A57 PolarHBondContact N-O 2.93Å; G31-K132 WeakPolarHBondContact O-CD 3.49Å; G31-K132 WeakPolarHBondContact O-CE 3.34Å; G31-K132 PolarHBondContact O-NZ 2.9Å |
| 32 | T | 93.9 | Very high | 95.1 | Very high | 8 Ų | 8 | 62 Ų | 62 | 5% | 0.049 | 35% | 0.349 | C | S | . | . | trans | -125.1 | 134.5 | -175.1 | -58.3 | 0 | 0 | 0 | 0 | 110.1 | P5 Q29 P30 Y34 T56 | P5-T32 HydrophobicContact CB-CG2 3.92Å; Q29-T32 WeakPolarHBondContact O-CB 3.37Å; Q29-T32 PolarHBondContact O-OG1 3.18Å; P30-T32 PolarHBondContact O-N 3.2Å; P30-T32 VanDerWaalsContact O-N 3.17Å; P30-T32 PolarHBondContact O-OG1 3.16Å; T32-Y34 HydrophobicContact CG2-CD2 4.18Å; T32-Y34 HydrophobicContact CG2-CE2 3.64Å; T32-Y34 VanDerWaalsContact O-CD2 3.29Å; T32-Y34 WeakPolarHBondContact O-CD2 3.26Å; T32-T56 PolarHBondContact N-OG1 2.77Å; T32-T56 PolarHBondContact O-N 3.27Å; T32-T56 PolarHBondContact O-OG1 2.92Å | ||
| 33 | D | 93.9 | Very high | 94.9 | Very high | 63 Ų | 63 | 64.2 Ų | 64.2 | 34% | 0.337 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 134.6 | 176.9 | -51.2 | -58.7 | 0 | 0 | 0 | 109.2 | A6 S55 K132 | A6-D33 HydrophobicContact CB-CB 4.08Å; A6-D33 WeakPolarHBondContact CB-O 3.27Å; A6-D33 PolarHBondContact N-O 3.01Å; D33-S55 VanDerWaalsContact OD1-CB 3.3Å; D33-S55 WeakPolarHBondContact OD1-CB 3.41Å; D33-S55 PolarHBondContact OD1-OG 3Å; D33-K132 IonicContact OD2-NZ 3.13Å |
| 34 | Y | 95.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 68 Ų | 68 | 4% | 0.039 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 138.2 | -175 | -76.7 | -89.1 | 0 | 0 | 0 | 111 | A3 I4 P5 L28 Q29 T32 A54 T56 | A3-Y34 HydrophobicContact CB-CD1 3.85Å; A3-Y34 HydrophobicContact CB-CE1 4.33Å; I4-Y34 WeakPolarHBondContact O-CA 3.35Å; P5-Y34 HydrophobicContact CB-CD1 3.96Å; P5-Y34 HydrophobicContact CB-CE1 3.51Å; P5-Y34 HydrophobicContact CG-CE1 4.14Å; L28-Y34 HydrophobicContact CB-CE2 3.99Å; L28-Y34 HydrophobicContact CD1-CD2 4.45Å; L28-Y34 HydrophobicContact CD1-CE2 4.35Å; L28-Y34 HydrophobicContact CD2-CD1 4.48Å; L28-Y34 HydrophobicContact CD2-CE1 3.93Å; L28-Y34 HydrophobicContact CD2-CE2 4.42Å; L28-Y34 HydrophobicContact CG-CE2 4.49Å; Q29-Y34 PolarHBondContact N-OH 3.18Å; T32-Y34 HydrophobicContact CG2-CD2 4.18Å; T32-Y34 HydrophobicContact CG2-CE2 3.64Å; T32-Y34 VanDerWaalsContact O-CD2 3.29Å; T32-Y34 WeakPolarHBondContact O-CD2 3.26Å; Y34-A54 PolarHBondContact N-O 3.17Å; Y34-A54 PolarHBondContact O-N 3.28Å; Y34-T56 HydrophobicContact CD2-CG2 4.15Å; Y34-T56 HydrophobicContact CE2-CG2 3.95Å |
| 35 | K | 97.2 | Very high | 94.6 | Very high | 115 Ų | 115 | 65.7 Ų | 65.7 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 111.7 | 158.8 | -69.6 | -167.6 | 170.9 | -171.1 | 0 | 108.5 | I4 D53 | I4-K35 HydrophobicContact CB-CB 4.45Å; I4-K35 PolarHBondContact N-O 2.59Å; I4-K35 PolarHBondContact O-N 2.95Å; K35-D53 WeakPolarHBondContact CG-OD1 3.31Å |
| 36 | I | 97.7 | Very high | 94.5 | Very high | 27 Ų | 27 | 70.4 Ų | 70.4 | 14% | 0.138 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 116.6 | 178.4 | -58.3 | 172.2 | 0 | 0 | 0 | 108 | V1 D2 A3 I25 I51 I52 A54 | V1-I36 HydrophobicContact CG2-CG2 3.57Å; D2-I36 CarbonylContact O-C 3.58Å; D2-I36 WeakPolarHBondContact O-CA 3.04Å; A3-I36 HydrophobicContact CB-CG1 4.43Å; I25-I36 HydrophobicContact CD1-CD1 4.12Å; I25-I36 HydrophobicContact CD1-CG1 4.38Å; I25-I36 HydrophobicContact CD1-CG2 3.93Å; I36-I51 CarbonylContact O-C 3.59Å; I36-I51 WeakPolarHBondContact O-CA 3.31Å; I36-I52 HydrophobicContact CB-CB 4.3Å; I36-I52 PolarHBondContact N-O 3.48Å; I36-I52 PolarHBondContact O-N 3.25Å; I36-A54 HydrophobicContact CD1-CB 3.8Å |
| 37 | H | 97.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 68.7 Ų | 68.7 | 15% | 0.148 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 117.1 | 174.1 | -65.3 | -171 | 0 | 0 | 0 | 109.7 | V1 D2 I4 Y39 P49 V50 | V1-H37 CarbonylContact C-O 3.55Å; V1-H37 VanDerWaalsContact CA-O 3.32Å; V1-H37 WeakPolarHBondContact CA-O 3.38Å; D2-H37 HydrophobicContact CB-CB 4.42Å; D2-H37 PolarHBondContact N-O 2.87Å; D2-H37 PolarHBondContact O-N 3.01Å; I4-H37 VanDerWaalsContact CD1-CE1 3.48Å; I4-H37 WeakPolarHBondContact CD1-CE1 3.42Å; H37-Y39 HydrophobicContact CB-CD2 4.31Å; H37-Y39 HydrophobicContact CB-CE2 3.31Å; H37-Y39 WeakPolarHBondContact CB-OH 3.27Å; H37-Y39 PolarHBondContact ND1-OH 3.07Å; H37-Y39 VanDerWaalsContact ND1-OH 3.08Å; H37-Y39 WeakPolarHBondContact O-CE2 3.46Å; H37-P49 HydrophobicContact CB-CB 3.99Å; H37-V50 WeakPolarHBondContact CA-O 3.47Å |
| 38 | L | 96.7 | Very high | 94.9 | Very high | 76 Ų | 76 | 70.6 Ų | 70.6 | 40% | 0.398 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.2 | 176.3 | -175.4 | 63.2 | 0 | 0 | 0 | 110.1 | V1 I16 P49 V50 | V1-L38 HydrophobicContact CB-CD1 3.98Å; V1-L38 HydrophobicContact CG2-CD1 4.18Å; I16-L38 HydrophobicContact CD1-CD1 4.42Å; L38-P49 CarbonylContact O-C 3.56Å; L38-P49 VanDerWaalsContact O-CA 3.27Å; L38-P49 WeakPolarHBondContact O-CA 3.43Å; L38-V50 HydrophobicContact CB-CB 4.49Å; L38-V50 PolarHBondContact N-O 3.02Å; L38-V50 PolarHBondContact O-N 2.91Å |
| 39 | Y | 96.2 | Very high | 95 | Very high | 45 Ų | 45 | 70.9 Ų | 70.9 | 18% | 0.176 | 39% | 0.385 | C | S | . | . | trans | -126.1 | 142.4 | -176.5 | -54.8 | -96.5 | 0 | 0 | 0 | 109 | D2 H37 R46 S47 P49 | D2-Y39 HydrophobicContact CB-CE2 4.41Å; D2-Y39 WeakPolarHBondContact OD2-CE2 3.36Å; H37-Y39 HydrophobicContact CB-CD2 4.31Å; H37-Y39 HydrophobicContact CB-CE2 3.31Å; H37-Y39 WeakPolarHBondContact CB-OH 3.27Å; H37-Y39 PolarHBondContact ND1-OH 3.07Å; H37-Y39 VanDerWaalsContact ND1-OH 3.08Å; H37-Y39 WeakPolarHBondContact O-CE2 3.46Å; Y39-R46 HydrophobicContact CD1-CG 3.83Å; Y39-R46 VanDerWaalsContact CE1-NE 3.27Å; Y39-R46 HydrophobicContact CG-CG 4.22Å; Y39-R46 VanDerWaalsContact CG-NE 3.29Å; Y39-S47 WeakPolarHBondContact CD1-O 3.23Å; Y39-P49 HydrophobicContact CD1-CB 3.88Å; Y39-P49 HydrophobicContact CD1-CG 4.47Å; Y39-P49 HydrophobicContact CE1-CB 3.4Å; Y39-P49 VanDerWaalsContact CE1-CB 3.4Å; Y39-P49 HydrophobicContact CE1-CG 3.69Å; Y39-P49 HydrophobicContact CE2-CB 4.22Å | ||
| 40 | T | 95.5 | Very high | 95.2 | Very high | 105 Ų | 105 | 73.1 Ų | 73.1 | 64% | 0.644 | 40% | 0.401 | S | S | * | . | trans | -88.5 | 133 | 163.7 | -56.2 | 0 | 0 | 0 | 0 | 108.2 | S47 | T40-S47 PolarHBondContact N-OG 2.73Å; T40-S47 PolarHBondContact O-N 3.24Å | ||
| 41 | L | 94.1 | Very high | 95.3 | Very high | 110 Ų | 110 | 76.9 Ų | 76.9 | 58% | 0.576 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.8 | 175.2 | -58.9 | 178.6 | 0 | 0 | 0 | 108.7 | A45 R46 | L41-A45 WeakPolarHBondContact CA-O 3.15Å; L41-R46 HydrophobicContact CD2-CB 3.96Å; L41-R46 HydrophobicContact CD2-CG 3.8Å |
| 42 | N | 93.6 | Very high | 95.4 | Very high | 114 Ų | 114 | 80.7 Ų | 80.7 | 61% | 0.61 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 100.9 | 170.8 | -174.3 | 21.2 | 0 | 0 | 0 | 107.6 | N44 A45 | N42-N44 PolarHBondContact O-N 2.84Å; N42-N44 VanDerWaalsContact O-N 3.15Å; N42-A45 PolarHBondContact N-O 2.98Å; N42-A45 WeakPolarHBondContact O-CA 3.24Å; N42-A45 WeakPolarHBondContact O-CB 3.27Å; N42-A45 PolarHBondContact O-N 2.93Å |
| 43 | D | 89.6 | Confident | 95.5 | Very high | 153 Ų | 153 | 86.1 Ų | 86.1 | 82% | 0.818 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | -114.5 | -168.6 | -56.3 | -39.8 | 0 | 0 | 0 | 112 | ||
| 44 | N | 90.1 | Very high | 95.5 | Very high | 173 Ų | 173 | 85 Ų | 85 | 93% | 0.925 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -5.2 | 178.3 | -74.1 | 65.5 | 0 | 0 | 0 | 113.6 | N42 | N42-N44 PolarHBondContact O-N 2.84Å; N42-N44 VanDerWaalsContact O-N 3.15Å |
| 45 | A | 94.4 | Very high | 95.4 | Very high | 60 Ų | 60 | 87.5 Ų | 87.5 | 50% | 0.496 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 138.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L41 N42 | L41-A45 WeakPolarHBondContact CA-O 3.15Å; N42-A45 PolarHBondContact N-O 2.98Å; N42-A45 WeakPolarHBondContact O-CA 3.24Å; N42-A45 WeakPolarHBondContact O-CB 3.27Å; N42-A45 PolarHBondContact O-N 2.93Å |
| 46 | R | 95 | Very high | 95.3 | Very high | 131 Ų | 131 | 83.4 Ų | 83.4 | 49% | 0.494 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.2 | 176.3 | -176.6 | -179.9 | -172.3 | 171.3 | 9 | 108.8 | D2 Y39 L41 | D2-R46 IonicContact OD2-CZ 3.32Å; D2-R46 IonicContact OD2-NH2 3.21Å; D2-R46 PolarHBondContact OD2-NH2 3.18Å; Y39-R46 HydrophobicContact CD1-CG 3.83Å; Y39-R46 VanDerWaalsContact CE1-NE 3.27Å; Y39-R46 HydrophobicContact CG-CG 4.22Å; Y39-R46 VanDerWaalsContact CG-NE 3.29Å; L41-R46 HydrophobicContact CD2-CB 3.96Å; L41-R46 HydrophobicContact CD2-CG 3.8Å |
| 47 | S | 97.1 | Very high | 95.2 | Very high | 50 Ų | 50 | 86.1 Ų | 86.1 | 35% | 0.35 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 168.9 | 174.4 | 73 | 0 | 0 | 0 | 0 | 112 | Y39 T40 | Y39-S47 WeakPolarHBondContact CD1-O 3.23Å; T40-S47 PolarHBondContact N-OG 2.73Å; T40-S47 PolarHBondContact O-N 3.24Å |
| 48 | S | 97.1 | Very high | 95.2 | Very high | 107 Ų | 107 | 85 Ų | 85 | 75% | 0.748 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 148.9 | 157.2 | -61.9 | 0 | 0 | 0 | 0 | 110.2 | ||
| 49 | P | 96.9 | Very high | 95.2 | Very high | 49 Ų | 49 | 82.9 Ų | 82.9 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 145.8 | 179.5 | 24.3 | -26.9 | 0 | 0 | 0 | 112.3 | H37 L38 Y39 I51 | H37-P49 HydrophobicContact CB-CB 3.99Å; L38-P49 CarbonylContact O-C 3.56Å; L38-P49 VanDerWaalsContact O-CA 3.27Å; L38-P49 WeakPolarHBondContact O-CA 3.43Å; Y39-P49 HydrophobicContact CD1-CB 3.88Å; Y39-P49 HydrophobicContact CD1-CG 4.47Å; Y39-P49 HydrophobicContact CE1-CB 3.4Å; Y39-P49 VanDerWaalsContact CE1-CB 3.4Å; Y39-P49 HydrophobicContact CE1-CG 3.69Å; Y39-P49 HydrophobicContact CE2-CB 4.22Å; P49-I51 HydrophobicContact CB-CG1 4.23Å; P49-I51 HydrophobicContact CG-CG1 4.28Å |
| 50 | V | 97.6 | Very high | 95.3 | Very high | 90 Ų | 90 | 82.5 Ų | 82.5 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 130.8 | 149.4 | 178.2 | 0 | 0 | 0 | 0 | 107.5 | H37 L38 I52 | H37-V50 WeakPolarHBondContact CA-O 3.47Å; L38-V50 HydrophobicContact CB-CB 4.49Å; L38-V50 PolarHBondContact N-O 3.02Å; L38-V50 PolarHBondContact O-N 2.91Å; V50-I52 HydrophobicContact CG1-CG1 4.32Å |
| 51 | I | 97.4 | Very high | 95.4 | Very high | 94 Ų | 94 | 77.7 Ų | 77.7 | 48% | 0.482 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 130.4 | -178.4 | -56.6 | 178.5 | 0 | 0 | 0 | 108.9 | I36 P49 | I36-I51 CarbonylContact O-C 3.59Å; I36-I51 WeakPolarHBondContact O-CA 3.31Å; P49-I51 HydrophobicContact CB-CG1 4.23Å; P49-I51 HydrophobicContact CG-CG1 4.28Å |
| 52 | I | 96.9 | Very high | 95.6 | Very high | 83 Ų | 83 | 74.9 Ų | 74.9 | 43% | 0.426 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.9 | 179.7 | -53.6 | 168.5 | 0 | 0 | 0 | 108 | I36 V50 | I36-I52 HydrophobicContact CB-CB 4.3Å; I36-I52 PolarHBondContact N-O 3.48Å; I36-I52 PolarHBondContact O-N 3.25Å; V50-I52 HydrophobicContact CG1-CG1 4.32Å |
| 53 | D | 96 | Very high | 95.8 | Very high | 122 Ų | 122 | 72.4 Ų | 72.4 | 65% | 0.652 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87 | 128.3 | 170.3 | -64.7 | -51.7 | 0 | 0 | 0 | 109.5 | K35 | K35-D53 WeakPolarHBondContact CG-OD1 3.31Å |
| 54 | A | 94.4 | Very high | 96.3 | Very high | 38 Ų | 38 | 66.5 Ų | 66.5 | 31% | 0.314 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 146.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y34 I36 | Y34-A54 PolarHBondContact N-O 3.17Å; Y34-A54 PolarHBondContact O-N 3.28Å; I36-A54 HydrophobicContact CD1-CB 3.8Å |
| 55 | S | 93.4 | Very high | 96.7 | Very high | 64 Ų | 64 | 64.9 Ų | 64.9 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.6 | 175.2 | -53.8 | 0 | 0 | 0 | 0 | 110 | D33 | D33-S55 VanDerWaalsContact OD1-CB 3.3Å; D33-S55 WeakPolarHBondContact OD1-CB 3.41Å; D33-S55 PolarHBondContact OD1-OG 3Å |
| 56 | T | 94.5 | Very high | 96.8 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 18% | 0.178 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 148.1 | 170.2 | 51.3 | 0 | 0 | 0 | 0 | 110.5 | L28 Q29 G31 T32 Y34 | L28-T56 HydrophobicContact CB-CG2 3.85Å; L28-T56 HydrophobicContact CD1-CG2 3.9Å; Q29-T56 PolarHBondContact O-OG1 2.97Å; G31-T56 WeakPolarHBondContact CA-O 3.04Å; G31-T56 PolarHBondContact N-O 3.48Å; G31-T56 PolarHBondContact N-OG1 3.05Å; T32-T56 PolarHBondContact N-OG1 2.77Å; T32-T56 PolarHBondContact O-N 3.27Å; T32-T56 PolarHBondContact O-OG1 2.92Å; Y34-T56 HydrophobicContact CD2-CG2 4.15Å; Y34-T56 HydrophobicContact CE2-CG2 3.95Å |
| 57 | A | 95.3 | Very high | 97 | Very high | 83 Ų | 83 | 62.2 Ų | 62.2 | 69% | 0.686 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 151.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G31 | G31-A57 PolarHBondContact N-O 2.93Š|
| 58 | I | 97.3 | Very high | 97 | Very high | 9 Ų | 9 | 63.2 Ų | 63.2 | 5% | 0.046 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 129.4 | 170.8 | -48.5 | 174.4 | 0 | 0 | 0 | 107.5 | A83 I85 A130 K132 Q135 S137 | I58-A83 HydrophobicContact CG2-CB 3.71Å; I58-I85 HydrophobicContact CG2-CG2 4.11Å; I58-A130 HydrophobicContact CG2-CB 3.99Å; I58-K132 HydrophobicContact CD1-CB 3.46Å; I58-K132 VanDerWaalsContact CD1-CB 3.46Å; I58-K132 VanDerWaalsContact CD1-N 3.33Å; I58-K132 HydrophobicContact CG1-CB 4.11Å; I58-Q135 HydrophobicContact CD1-CB 3.67Å; I58-Q135 WeakPolarHBondContact CD1-O 3.26Å; I58-Q135 HydrophobicContact CG1-CB 4.19Å; I58-S137 WeakPolarHBondContact O-CB 3.34Å |
| 59 | D | 96.9 | Very high | 97.1 | Very high | 32 Ų | 32 | 59.3 Ų | 59.3 | 17% | 0.171 | 34% | 0.344 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 143.7 | 171.2 | 56.2 | -32.3 | 0 | 0 | 0 | 110.9 | P30 P81 R82 A83 | P30-D59 HydrophobicContact CB-CB 3.89Å; P30-D59 WeakPolarHBondContact CB-OD1 3.29Å; P30-D59 HydrophobicContact CG-CB 4.05Å; D59-P81 WeakPolarHBondContact O-CB 3.5Å; D59-P81 WeakPolarHBondContact OD1-CB 3.47Å; D59-R82 PolarHBondContact OD1-N 2.98Å; D59-R82 VanDerWaalsContact OD2-CB 3.26Å; D59-R82 WeakPolarHBondContact OD2-CB 3.43Å; D59-R82 WeakPolarHBondContact OD2-CG 3.43Å; D59-R82 PolarHBondContact OD2-N 2.84Å; D59-R82 IonicContact OD2-NE 2.66Å; D59-R82 PolarHBondContact OD2-NE 3.07Å; D59-R82 VanDerWaalsContact OD2-NE 3.13Å; D59-A83 VanDerWaalsContact OD1-CB 3.29Å; D59-A83 WeakPolarHBondContact OD1-CB 3.3Å; D59-A83 PolarHBondContact OD1-N 2.77Å |
| 60 | A | 97.8 | Very high | 97.1 | Very high | 36 Ų | 36 | 58.7 Ų | 58.7 | 30% | 0.298 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -68 | 151.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | E138 | A60-E138 HydrophobicContact CB-CB 4.38Å; A60-E138 VanDerWaalsContact CB-O 3.23Å; A60-E138 WeakPolarHBondContact CB-O 3.33Å |
| 61 | P | 98.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.026 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -53.8 | 158.8 | 160 | -20.4 | 33.6 | 0 | 0 | 0 | 110.4 | W78 Q79 Y88 V128 A130 L140 | P61-W78 HydrophobicContact CB-CB 4.5Å; P61-W78 HydrophobicContact CB-CG 4.35Å; P61-Q79 WeakPolarHBondContact CA-O 3.42Å; P61-Y88 HydrophobicContact CG-CD1 4.16Å; P61-Y88 HydrophobicContact CG-CE1 3.92Å; P61-V128 HydrophobicContact CB-CG1 4.35Å; P61-V128 HydrophobicContact CG-CG1 4.07Å; P61-A130 HydrophobicContact CG-CB 4.06Å; P61-L140 HydrophobicContact CB-CB 4.2Å; P61-L140 HydrophobicContact CB-CD2 3.91Å; P61-L140 WeakPolarHBondContact O-CB 3.44Å |
| 62 | S | 98.4 | Very high | 97.2 | Very high | 51 Ų | 51 | 55.6 Ų | 55.6 | 36% | 0.357 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 169.6 | -180 | 62.5 | 0 | 0 | 0 | 0 | 112.9 | Q79 | S62-Q79 PolarHBondContact N-O 2.81Å; S62-Q79 PolarHBondContact O-N 3.02Å |
| 63 | N | 98.1 | Very high | 97.3 | Very high | 63 Ų | 63 | 52.6 Ų | 52.6 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.9 | 60.3 | 172.2 | -169.7 | 11.1 | 0 | 0 | 0 | 113.6 | R65 Q79 | N63-R65 PolarHBondContact ND2-NH2 2.84Å; N63-R65 PolarHBondContact OD1-NE 3.24Å; N63-Q79 HydrophobicContact CB-CB 4.47Å; N63-Q79 HydrophobicContact CB-CG 4Å; N63-Q79 PolarHBondContact ND2-NE2 2.53Å |
| 64 | L | 98.5 | Very high | 97.4 | Very high | 28 Ų | 28 | 46.8 Ų | 46.8 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 129.8 | 176 | -171.9 | 58.6 | 0 | 0 | 0 | 110.2 | F66 V76 S77 W78 V128 L140 | L64-F66 HydrophobicContact CD2-CZ 4.4Å; L64-V76 HydrophobicContact CD1-CB 4.2Å; L64-S77 CarbonylContact C-O 3.54Å; L64-S77 WeakPolarHBondContact CA-O 3.41Å; L64-S77 WeakPolarHBondContact CD1-O 3.1Å; L64-W78 HydrophobicContact CD1-CB 4.46Å; L64-V128 HydrophobicContact CD1-CG2 3.88Å; L64-L140 HydrophobicContact CB-CD1 4.2Å; L64-L140 HydrophobicContact CB-CD2 3.67Å; L64-L140 HydrophobicContact CB-CG 3.83Å; L64-L140 HydrophobicContact CD1-CD2 4.39Å; L64-L140 HydrophobicContact CD2-CG 4.45Å; L64-L140 HydrophobicContact CG-CD2 4.5Å |
| 65 | R | 98.5 | Very high | 97.6 | Very high | 139 Ų | 139 | 46.9 Ų | 46.9 | 53% | 0.525 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.2 | 178.2 | -61.2 | -179.6 | 178.8 | -170.2 | -5.7 | 110.4 | N63 L67 V76 S77 | N63-R65 PolarHBondContact ND2-NH2 2.84Å; N63-R65 PolarHBondContact OD1-NE 3.24Å; R65-L67 HydrophobicContact CB-CD2 4.29Å; R65-V76 CarbonylContact O-C 3.33Å; R65-V76 VanDerWaalsContact O-CA 3.27Å; R65-V76 WeakPolarHBondContact O-CA 3.4Å; R65-S77 PolarHBondContact N-O 2.82Å; R65-S77 PolarHBondContact O-N 3.04Å |
| 66 | F | 98.4 | Very high | 97.8 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 22% | 0.219 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 101.2 | 172.6 | -61.7 | -89 | 0 | 0 | 0 | 107.3 | L64 L74 L75 V76 I126 K144 | L64-F66 HydrophobicContact CD2-CZ 4.4Å; F66-L74 HydrophobicContact CD1-CD1 4.35Å; F66-L74 HydrophobicContact CD1-CD2 4.47Å; F66-L74 HydrophobicContact CE1-CD1 4.18Å; F66-L75 CarbonylContact C-O 3.56Å; F66-V76 HydrophobicContact CD1-CG1 3.62Å; F66-V76 HydrophobicContact CE1-CG1 3.63Å; F66-I126 HydrophobicContact CE1-CG1 3.81Å; F66-I126 HydrophobicContact CZ-CG1 4.09Å; F66-K144 HydrophobicContact CB-CD 4.21Å; F66-K144 HydrophobicContact CB-CG 4.28Å; F66-K144 HydrophobicContact CD1-CB 3.52Å; F66-K144 HydrophobicContact CD1-CD 4.43Å; F66-K144 HydrophobicContact CD1-CG 3.74Å; F66-K144 HydrophobicContact CD2-CB 4.11Å; F66-K144 HydrophobicContact CD2-CD 4.29Å; F66-K144 HydrophobicContact CD2-CG 4.38Å; F66-K144 HydrophobicContact CE1-CB 3.38Å; F66-K144 HydrophobicContact CE1-CG 4.15Å; F66-K144 HydrophobicContact CE2-CB 3.99Å; F66-K144 HydrophobicContact CG-CB 3.89Å; F66-K144 HydrophobicContact CG-CD 4.05Å; F66-K144 HydrophobicContact CG-CG 3.87Å; F66-K144 HydrophobicContact CZ-CB 3.64Å |
| 67 | L | 98.2 | Very high | 98 | Very high | 85 Ų | 85 | 43.3 Ų | 43.3 | 45% | 0.445 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -42.3 | -174.9 | -57.6 | -175.5 | 0 | 0 | 0 | 111.4 | R65 L75 E112 | R65-L67 HydrophobicContact CB-CD2 4.29Å; L67-L75 HydrophobicContact CB-CB 4.48Å; L67-L75 HydrophobicContact CB-CD2 3.99Å; L67-L75 HydrophobicContact CB-CG 4.05Å; L67-L75 HydrophobicContact CD1-CD2 4.2Å; L67-L75 HydrophobicContact CD1-CG 4.29Å; L67-L75 PolarHBondContact N-O 2.91Å; L67-E112 HydrophobicContact CD1-CG 4.38Å |
| 68 | T | 97.9 | Very high | 98.2 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 44% | 0.436 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 140.3 | 178.2 | -51.8 | 0 | 0 | 0 | 0 | 109.5 | T70 L75 | T68-T70 HydrophobicContact CG2-CG2 4.24Å; T68-L75 PolarHBondContact O-N 3.38Å |
| 69 | T | 98.3 | Very high | 98.2 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 16% | 0.16 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 138.8 | 171.7 | -60 | 0 | 0 | 0 | 0 | 107.6 | L74 K144 D147 | T69-L74 HydrophobicContact CG2-CD2 3.63Å; T69-K144 WeakPolarHBondContact OG1-CE 3.48Å; T69-D147 VanDerWaalsContact C-OD2 3.31Å |
| 70 | T | 98.1 | Very high | 98.3 | Very high | 35 Ų | 35 | 45.2 Ų | 45.2 | 22% | 0.215 | 25% | 0.25 | C | S | . | . | trans | -135.7 | 175.6 | 172.8 | 73.2 | 0 | 0 | 0 | 0 | 107.9 | T68 N72 S73 T146 D147 | T68-T70 HydrophobicContact CG2-CG2 4.24Å; T70-N72 PolarHBondContact O-N 3.05Å; T70-N72 PolarHBondContact OG1-N 3.32Å; T70-N72 PolarHBondContact OG1-OD1 3.01Å; T70-S73 PolarHBondContact N-O 2.82Å; T70-S73 PolarHBondContact OG1-N 2.99Å; T70-S73 PolarHBondContact OG1-O 2.88Å; T70-S73 PolarHBondContact OG1-OG 2.97Å; T70-T146 WeakPolarHBondContact O-CB 3.06Å; T70-D147 WeakPolarHBondContact CA-OD2 3.4Å; T70-D147 PolarHBondContact O-N 3.41Å | ||
| 71 | P | 97.9 | Very high | 98.2 | Very high | 29 Ų | 29 | 44.2 Ų | 44.2 | 19% | 0.188 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -62.8 | -21.4 | 175.3 | -25 | 35.2 | 0 | 0 | 0 | 114.6 | E119 P120 D147 L149 | P71-E119 CarbonylContact O-C 3.47Å; P71-P120 HydrophobicContact CB-CB 4.03Å; P71-P120 HydrophobicContact CB-CG 4.01Å; P71-P120 WeakPolarHBondContact O-CA 3.37Å; P71-P120 VanDerWaalsContact O-N 3.08Å; P71-D147 VanDerWaalsContact CA-O 3.23Å; P71-D147 WeakPolarHBondContact CA-O 3.42Å; P71-D147 WeakPolarHBondContact CB-O 3.42Å; P71-D147 HydrophobicContact CG-CB 3.98Å; P71-L149 HydrophobicContact CB-CD2 3.89Å; P71-L149 HydrophobicContact CB-CG 4.46Å; P71-L149 HydrophobicContact CG-CD2 4.33Å |
| 72 | N | 97.9 | Very high | 98.1 | Very high | 90 Ų | 90 | 52.7 Ų | 52.7 | 48% | 0.481 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -131.6 | 4.9 | -172.3 | 63.2 | 24.7 | 0 | 0 | 0 | 114.6 | T70 T116 G117 L118 | T70-N72 PolarHBondContact O-N 3.05Å; T70-N72 PolarHBondContact OG1-N 3.32Å; T70-N72 PolarHBondContact OG1-OD1 3.01Å; N72-T116 CarbonylContact O-C 3.56Å; N72-G117 PolarHBondContact O-N 2.66Å; N72-L118 WeakPolarHBondContact CA-O 3.49Å; N72-L118 PolarHBondContact O-N 2.62Å |
| 73 | S | 98.2 | Very high | 97.9 | Very high | 20 Ų | 20 | 50.5 Ų | 50.5 | 14% | 0.14 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 155.8 | -179.7 | 63 | 0 | 0 | 0 | 0 | 113.9 | T70 I115 | T70-S73 PolarHBondContact N-O 2.82Å; T70-S73 PolarHBondContact OG1-N 2.99Å; T70-S73 PolarHBondContact OG1-O 2.88Å; T70-S73 PolarHBondContact OG1-OG 2.97Å; S73-I115 CarbonylContact C-O 3.47Å; S73-I115 WeakPolarHBondContact CA-O 3.23Å; S73-I115 WeakPolarHBondContact CB-O 3.43Å |
| 74 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 128 | 174.7 | -65.4 | 174.9 | 0 | 0 | 0 | 109.4 | F66 T69 V76 T114 I115 L118 I126 K144 T146 | F66-L74 HydrophobicContact CD1-CD1 4.35Å; F66-L74 HydrophobicContact CD1-CD2 4.47Å; F66-L74 HydrophobicContact CE1-CD1 4.18Å; T69-L74 HydrophobicContact CG2-CD2 3.63Å; L74-V76 HydrophobicContact CB-CG1 4.47Å; L74-T114 WeakPolarHBondContact O-CA 3.48Å; L74-I115 PolarHBondContact N-O 2.89Å; L74-I115 PolarHBondContact O-N 2.94Å; L74-L118 HydrophobicContact CB-CD1 4.2Å; L74-L118 HydrophobicContact CD1-CD1 3.8Å; L74-L118 HydrophobicContact CG-CD1 3.61Å; L74-I126 HydrophobicContact CD1-CD1 4.25Å; L74-K144 HydrophobicContact CD1-CB 4.1Å; L74-K144 HydrophobicContact CD1-CG 4.41Å; L74-K144 HydrophobicContact CD2-CB 4.31Å; L74-K144 HydrophobicContact CD2-CG 3.71Å; L74-T146 HydrophobicContact CD2-CG2 4.41Å; L74-T146 HydrophobicContact CG-CG2 4.4Å |
| 75 | L | 98.4 | Very high | 97.5 | Very high | 41 Ų | 41 | 57 Ų | 57 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.9 | 166.4 | 177.3 | 60.5 | 0 | 0 | 0 | 108.5 | F66 L67 T68 | F66-L75 CarbonylContact C-O 3.56Å; L67-L75 HydrophobicContact CB-CB 4.48Å; L67-L75 HydrophobicContact CB-CD2 3.99Å; L67-L75 HydrophobicContact CB-CG 4.05Å; L67-L75 HydrophobicContact CD1-CD2 4.2Å; L67-L75 HydrophobicContact CD1-CG 4.29Å; L67-L75 PolarHBondContact N-O 2.91Å; T68-L75 PolarHBondContact O-N 3.38Å |
| 76 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 145.9 | -179.3 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | L64 R65 F66 L74 W78 E112 A113 I115 | L64-V76 HydrophobicContact CD1-CB 4.2Å; R65-V76 CarbonylContact O-C 3.33Å; R65-V76 VanDerWaalsContact O-CA 3.27Å; R65-V76 WeakPolarHBondContact O-CA 3.4Å; F66-V76 HydrophobicContact CD1-CG1 3.62Å; F66-V76 HydrophobicContact CE1-CG1 3.63Å; L74-V76 HydrophobicContact CB-CG1 4.47Å; V76-W78 HydrophobicContact CG2-CE3 4.44Å; V76-W78 HydrophobicContact CG2-CZ3 4.12Å; V76-E112 CarbonylContact O-C 3.53Å; V76-E112 VanDerWaalsContact O-CA 3.24Å; V76-E112 WeakPolarHBondContact O-CA 3.36Å; V76-A113 HydrophobicContact CG2-CB 4.39Å; V76-A113 VanDerWaalsContact CG2-O 3.27Å; V76-A113 WeakPolarHBondContact CG2-O 3.3Å; V76-A113 PolarHBondContact N-O 2.91Å; V76-A113 PolarHBondContact O-N 2.9Å; V76-I115 HydrophobicContact CG1-CD1 4.44Å; V76-I115 HydrophobicContact CG2-CD1 4.41Å |
| 77 | S | 98.6 | Very high | 97.3 | Very high | 18 Ų | 18 | 51.6 Ų | 51.6 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 152.4 | 171.1 | 95.9 | 0 | 0 | 0 | 0 | 111.7 | L64 R65 T111 | L64-S77 CarbonylContact C-O 3.54Å; L64-S77 WeakPolarHBondContact CA-O 3.41Å; L64-S77 WeakPolarHBondContact CD1-O 3.1Å; R65-S77 PolarHBondContact N-O 2.82Å; R65-S77 PolarHBondContact O-N 3.04Å; S77-T111 CarbonylContact C-O 3.46Å; S77-T111 VanDerWaalsContact CA-O 3.23Å; S77-T111 WeakPolarHBondContact CA-O 3.41Å |
| 78 | W | 98.7 | Very high | 97.3 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 3% | 0.03 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 165.9 | 177.5 | 61.4 | 90.5 | 0 | 0 | 0 | 111.2 | P61 L64 V76 Y88 I90 P106 V110 T111 A113 V128 L140 | P61-W78 HydrophobicContact CB-CB 4.5Å; P61-W78 HydrophobicContact CB-CG 4.35Å; L64-W78 HydrophobicContact CD1-CB 4.46Å; V76-W78 HydrophobicContact CG2-CE3 4.44Å; V76-W78 HydrophobicContact CG2-CZ3 4.12Å; W78-Y88 HydrophobicContact CZ2-CD1 4.46Å; W78-Y88 HydrophobicContact CZ2-CD2 4.07Å; W78-Y88 HydrophobicContact CZ2-CE2 4.22Å; W78-Y88 HydrophobicContact CZ2-CG 4.17Å; W78-Y88 AromaticContact NE1-CD1 3.8Å; W78-Y88 AromaticContact NE1-CE1 3.28Å; W78-Y88 VanDerWaalsContact NE1-CE1 3.28Å; W78-Y88 AromaticContact NE1-CE2 3.89Å; W78-Y88 AromaticContact NE1-CZ 3.3Å; W78-Y88 VanDerWaalsContact NE1-CZ 3.3Å; W78-I90 HydrophobicContact CH2-CD1 3.61Å; W78-I90 HydrophobicContact CZ3-CD1 3.67Å; W78-P106 HydrophobicContact CH2-CB 4.47Å; W78-P106 HydrophobicContact CH2-CG 4.33Å; W78-P106 HydrophobicContact CZ2-CB 4.48Å; W78-V110 WeakPolarHBondContact CZ2-O 3.46Å; W78-T111 PolarHBondContact N-O 2.87Å; W78-T111 WeakPolarHBondContact O-CB 2.99Å; W78-A113 HydrophobicContact CH2-CB 3.92Å; W78-A113 HydrophobicContact CZ3-CB 3.94Å; W78-V128 HydrophobicContact CD2-CG1 3.82Å; W78-V128 HydrophobicContact CE3-CG1 4.22Å; W78-V128 HydrophobicContact CE3-CG2 4.26Å; W78-V128 HydrophobicContact CG-CG1 4.07Å; W78-V128 HydrophobicContact CZ2-CG1 4.45Å; W78-L140 HydrophobicContact CB-CD2 3.85Å |
| 79 | Q | 98.4 | Very high | 97.3 | Very high | 102 Ų | 102 | 44.4 Ų | 44.4 | 48% | 0.477 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 135.1 | 169 | -70.3 | 179.8 | -5.7 | 0 | 0 | 110.3 | P61 S62 N63 | P61-Q79 WeakPolarHBondContact CA-O 3.42Å; S62-Q79 PolarHBondContact N-O 2.81Å; S62-Q79 PolarHBondContact O-N 3.02Å; N63-Q79 HydrophobicContact CB-CB 4.47Å; N63-Q79 HydrophobicContact CB-CG 4Å; N63-Q79 PolarHBondContact ND2-NE2 2.53Å |
| 80 | A | 97.7 | Very high | 97.3 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 44% | 0.438 | 22% | 0.217 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 147.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y88 T111 | A80-Y88 WeakPolarHBondContact CB-OH 3.26Å; A80-T111 HydrophobicContact CB-CG2 4.47Å |
| 81 | P | 97.2 | Very high | 97.4 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 10% | 0.104 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -70 | 165.3 | 172.5 | 32.8 | -37.2 | 0 | 0 | 0 | 111.4 | D59 I85 Y88 A130 | D59-P81 WeakPolarHBondContact O-CB 3.5Å; D59-P81 WeakPolarHBondContact OD1-CB 3.47Å; P81-I85 HydrophobicContact CG-CD1 4.18Å; P81-I85 HydrophobicContact CG-CG2 3.63Å; P81-Y88 WeakPolarHBondContact CD-OH 3.15Å; P81-A130 HydrophobicContact CG-CB 3.87Å |
| 82 | R | 94.7 | Very high | 97.4 | Very high | 181 Ų | 181 | 45.2 Ų | 45.2 | 68% | 0.683 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -79.2 | -26.9 | 177 | -60 | 175.4 | -66.7 | 169.7 | -1.9 | 112.3 | D59 | D59-R82 PolarHBondContact OD1-N 2.98Å; D59-R82 VanDerWaalsContact OD2-CB 3.26Å; D59-R82 WeakPolarHBondContact OD2-CB 3.43Å; D59-R82 WeakPolarHBondContact OD2-CG 3.43Å; D59-R82 PolarHBondContact OD2-N 2.84Å; D59-R82 IonicContact OD2-NE 2.66Å; D59-R82 PolarHBondContact OD2-NE 3.07Å; D59-R82 VanDerWaalsContact OD2-NE 3.13Å |
| 83 | A | 94.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 43.1 Ų | 43.1 | 4% | 0.041 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -60.5 | 146.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P30 I58 D59 I85 | P30-A83 HydrophobicContact CB-CB 4.3Å; I58-A83 HydrophobicContact CG2-CB 3.71Å; D59-A83 VanDerWaalsContact OD1-CB 3.29Å; D59-A83 WeakPolarHBondContact OD1-CB 3.3Å; D59-A83 PolarHBondContact OD1-N 2.77Å; A83-I85 PolarHBondContact O-N 2.93Å; A83-I85 VanDerWaalsContact O-N 3.15Å |
| 84 | R | 92.9 | Very high | 97.3 | Very high | 200 Ų | 200 | 44.4 Ų | 44.4 | 76% | 0.755 | 21% | 0.209 | S | C | * | . | trans | -75.9 | 103.5 | 170.9 | -68.7 | -177.4 | -178.8 | -93.4 | 2.1 | 109.3 | K132 | R84-K132 WeakPolarHBondContact O-CD 3.25Å; R84-K132 WeakPolarHBondContact O-CG 3.27Å | ||
| 85 | I | 96.2 | Very high | 97.1 | Very high | 27 Ų | 27 | 49.4 Ų | 49.4 | 14% | 0.138 | 24% | 0.242 | C | C | . | . | trans | -94.7 | 157.9 | -176 | 58.9 | 164.7 | 0 | 0 | 0 | 112.5 | I58 P81 A83 Y88 P108 A130 L131 | I58-I85 HydrophobicContact CG2-CG2 4.11Å; P81-I85 HydrophobicContact CG-CD1 4.18Å; P81-I85 HydrophobicContact CG-CG2 3.63Å; A83-I85 PolarHBondContact O-N 2.93Å; A83-I85 VanDerWaalsContact O-N 3.15Å; I85-Y88 HydrophobicContact CD1-CD1 4.26Å; I85-Y88 HydrophobicContact CD1-CD2 4.09Å; I85-Y88 HydrophobicContact CD1-CE1 3.59Å; I85-Y88 HydrophobicContact CD1-CE2 3.41Å; I85-Y88 VanDerWaalsContact CD1-CE2 3.41Å; I85-Y88 HydrophobicContact CD1-CG 4.49Å; I85-Y88 VanDerWaalsContact CD1-OH 3.32Å; I85-Y88 WeakPolarHBondContact CD1-OH 3.29Å; I85-P108 HydrophobicContact CG1-CB 4.25Å; I85-A130 HydrophobicContact CG2-CB 3.9Å; I85-L131 CarbonylContact C-O 3.58Å; I85-L131 VanDerWaalsContact CA-O 3.25Å; I85-L131 WeakPolarHBondContact CA-O 3.3Å; I85-L131 WeakPolarHBondContact CB-O 3.44Å | ||
| 86 | T | 95.8 | Very high | 96.9 | Very high | 71 Ų | 71 | 51.9 Ų | 51.9 | 44% | 0.436 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -100.6 | -5.9 | 173.3 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | P108 L131 K132 N133 | T86-P108 WeakPolarHBondContact O-CD 3.17Å; T86-L131 PolarHBondContact N-O 2.67Å; T86-L131 PolarHBondContact OG1-O 3.4Å; T86-K132 WeakPolarHBondContact OG1-CA 3.17Å; T86-N133 PolarHBondContact OG1-N 2.84Å; T86-N133 VanDerWaalsContact OG1-N 3.13Å |
| 87 | G | 96.9 | Very high | 96.8 | Very high | 5 Ų | 5 | 53.5 Ų | 53.5 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | -166.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P106 L131 | G87-P106 WeakPolarHBondContact CA-O 3.12Å; G87-L131 WeakPolarHBondContact O-CB 3.39Å; G87-L131 PolarHBondContact O-N 3.07Å |
| 88 | Y | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 155.3 | 176.9 | -58.6 | -90.7 | 0 | 0 | 0 | 112 | P61 W78 A80 P81 I85 R105 P106 V110 V128 I129 A130 | P61-Y88 HydrophobicContact CG-CD1 4.16Å; P61-Y88 HydrophobicContact CG-CE1 3.92Å; W78-Y88 HydrophobicContact CZ2-CD1 4.46Å; W78-Y88 HydrophobicContact CZ2-CD2 4.07Å; W78-Y88 HydrophobicContact CZ2-CE2 4.22Å; W78-Y88 HydrophobicContact CZ2-CG 4.17Å; W78-Y88 AromaticContact NE1-CD1 3.8Å; W78-Y88 AromaticContact NE1-CE1 3.28Å; W78-Y88 VanDerWaalsContact NE1-CE1 3.28Å; W78-Y88 AromaticContact NE1-CE2 3.89Å; W78-Y88 AromaticContact NE1-CZ 3.3Å; W78-Y88 VanDerWaalsContact NE1-CZ 3.3Å; A80-Y88 WeakPolarHBondContact CB-OH 3.26Å; P81-Y88 WeakPolarHBondContact CD-OH 3.15Å; I85-Y88 HydrophobicContact CD1-CD1 4.26Å; I85-Y88 HydrophobicContact CD1-CD2 4.09Å; I85-Y88 HydrophobicContact CD1-CE1 3.59Å; I85-Y88 HydrophobicContact CD1-CE2 3.41Å; I85-Y88 VanDerWaalsContact CD1-CE2 3.41Å; I85-Y88 HydrophobicContact CD1-CG 4.49Å; I85-Y88 VanDerWaalsContact CD1-OH 3.32Å; I85-Y88 WeakPolarHBondContact CD1-OH 3.29Å; Y88-R105 WeakPolarHBondContact O-CB 3.41Å; Y88-P106 HydrophobicContact CD2-CB 4.15Å; Y88-P106 PolarHBondContact N-O 2.86Å; Y88-V110 WeakPolarHBondContact CE2-O 3.46Å; Y88-V128 HydrophobicContact CD1-CG1 4.15Å; Y88-I129 CarbonylContact C-O 3.58Å; Y88-I129 VanDerWaalsContact CA-O 3.26Å; Y88-I129 WeakPolarHBondContact CA-O 3.32Å; Y88-A130 HydrophobicContact CD1-CB 4.41Å; Y88-A130 HydrophobicContact CE1-CB 4.41Å |
| 89 | I | 97.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.7 | 161.2 | -72.4 | 172.8 | 0 | 0 | 0 | 107 | K91 E101 I129 L131 | I89-K91 HydrophobicContact CG2-CD 4.39Å; I89-K91 HydrophobicContact CG2-CG 3.81Å; I89-E101 HydrophobicContact CG2-CG 4.1Å; I89-I129 HydrophobicContact CB-CB 4.28Å; I89-I129 HydrophobicContact CG2-CD1 4.34Å; I89-I129 PolarHBondContact N-O 3.43Å; I89-I129 PolarHBondContact O-N 2.97Å; I89-L131 HydrophobicContact CD1-CD1 3.87Å; I89-L131 HydrophobicContact CD1-CD2 3.82Å; I89-L131 HydrophobicContact CD1-CG 4.18Å; I89-L131 HydrophobicContact CG1-CD1 3.65Å; I89-L131 HydrophobicContact CG1-CD2 4.27Å; I89-L131 HydrophobicContact CG1-CG 4.08Å |
| 90 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120.7 | 169.5 | -57.9 | 178.7 | 0 | 0 | 0 | 107.6 | W78 E101 V102 P106 A113 I115 I126 Y127 V128 | W78-I90 HydrophobicContact CH2-CD1 3.61Å; W78-I90 HydrophobicContact CZ3-CD1 3.67Å; I90-E101 WeakPolarHBondContact O-CA 3.35Å; I90-V102 HydrophobicContact CB-CB 4.1Å; I90-V102 HydrophobicContact CB-CG2 3.87Å; I90-V102 HydrophobicContact CG2-CG2 3.73Å; I90-V102 PolarHBondContact O-N 2.87Å; I90-P106 HydrophobicContact CD1-CG 3.71Å; I90-P106 HydrophobicContact CG1-CG 4.13Å; I90-A113 HydrophobicContact CD1-CB 3.34Å; I90-I115 HydrophobicContact CG2-CD1 4.01Å; I90-I126 HydrophobicContact CG2-CG2 4.02Å; I90-Y127 CarbonylContact C-O 3.55Å; I90-Y127 VanDerWaalsContact CA-O 3.3Å; I90-Y127 WeakPolarHBondContact CA-O 3.37Å; I90-V128 HydrophobicContact CG1-CG1 4.34Å; I90-V128 HydrophobicContact CG1-CG2 4.43Å |
| 91 | K | 98.3 | Very high | 96.4 | Very high | 78 Ų | 78 | 62.5 Ų | 62.5 | 34% | 0.339 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151.9 | 171.6 | -63 | -180 | 177.7 | -173.7 | 0 | 110.8 | I89 P99 R100 I126 Y127 | I89-K91 HydrophobicContact CG2-CD 4.39Å; I89-K91 HydrophobicContact CG2-CG 3.81Å; K91-P99 HydrophobicContact CB-CB 4.43Å; K91-P99 HydrophobicContact CD-CB 4.38Å; K91-R100 CarbonylContact C-O 3.54Å; K91-R100 WeakPolarHBondContact CA-O 3.02Å; K91-R100 WeakPolarHBondContact CB-O 3.33Å; K91-I126 CarbonylContact O-C 3.55Å; K91-I126 WeakPolarHBondContact O-CA 3.43Å; K91-Y127 HydrophobicContact CB-CD2 4.17Å; K91-Y127 PolarHBondContact N-O 2.75Å; K91-Y127 PolarHBondContact O-N 3.26Å |
| 92 | Y | 98.3 | Very high | 96.5 | Very high | 29 Ų | 29 | 62.6 Ų | 62.6 | 11% | 0.114 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 143 | 175.1 | 64.5 | -82.2 | 0 | 0 | 0 | 110.2 | R100 V102 I115 L118 Y124 T125 I126 | Y92-R100 HydrophobicContact CD1-CB 4.25Å; Y92-R100 HydrophobicContact CD2-CB 4.41Å; Y92-R100 HydrophobicContact CE1-CB 3.71Å; Y92-R100 HydrophobicContact CE2-CB 3.89Å; Y92-R100 HydrophobicContact CE2-CG 4.45Å; Y92-R100 VanDerWaalsContact CZ-CB 3.5Å; Y92-R100 PolarHBondContact N-O 3.23Å; Y92-R100 PolarHBondContact O-N 2.88Å; Y92-V102 HydrophobicContact CD1-CG2 3.97Å; Y92-V102 HydrophobicContact CE1-CG2 4.09Å; Y92-I115 HydrophobicContact CD1-CG2 3.61Å; Y92-I115 HydrophobicContact CD2-CG2 4.1Å; Y92-I115 HydrophobicContact CE1-CG2 3.84Å; Y92-I115 HydrophobicContact CE2-CG2 4.3Å; Y92-I115 HydrophobicContact CG-CG2 3.76Å; Y92-L118 HydrophobicContact CD2-CD2 3.72Å; Y92-L118 HydrophobicContact CE2-CD2 3.7Å; Y92-Y124 HydrophobicContact CD2-CD1 4.02Å; Y92-Y124 HydrophobicContact CD2-CE1 4.12Å; Y92-T125 VanDerWaalsContact CA-O 3.29Å; Y92-T125 WeakPolarHBondContact CA-O 3.44Å; Y92-I126 VanDerWaalsContact CB-CD1 3.5Å |
| 93 | E | 98 | Very high | 96.5 | Very high | 46 Ų | 46 | 60 Ų | 60 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 153.1 | 176.9 | 78.4 | -171.7 | 151.6 | 0 | 0 | 111 | P99 Y124 T125 Y127 | E93-P99 HydrophobicContact CB-CB 4.26Å; E93-P99 HydrophobicContact CB-CG 4.41Å; E93-P99 WeakPolarHBondContact OE2-CD 3.42Å; E93-P99 VanDerWaalsContact OE2-CG 3.3Å; E93-P99 WeakPolarHBondContact OE2-CG 3.26Å; E93-Y124 CarbonylContact O-C 3.52Å; E93-Y124 VanDerWaalsContact O-CA 3.26Å; E93-Y124 WeakPolarHBondContact O-CA 3.49Å; E93-T125 PolarHBondContact N-O 3.17Å; E93-T125 PolarHBondContact O-N 3.48Å; E93-Y127 HydrophobicContact CG-CE2 4.15Å; E93-Y127 WeakPolarHBondContact OE1-CE2 3.47Å; E93-Y127 VanDerWaalsContact OE1-CZ 3.3Å; E93-Y127 PolarHBondContact OE1-OH 2.88Å |
| 94 | K | 97.4 | Very high | 96.6 | Very high | 46 Ų | 46 | 65 Ų | 65 | 20% | 0.2 | 37% | 0.365 | C | S | . | . | trans | -110.9 | 156.6 | 168.5 | 64.9 | 177.4 | -168.2 | 173.6 | 0 | 108.9 | G96 S97 E119 T122 Y124 | K94-G96 PolarHBondContact O-N 3.45Å; K94-S97 WeakPolarHBondContact CE-OG 3.4Å; K94-S97 WeakPolarHBondContact CG-OG 3.42Å; K94-S97 PolarHBondContact O-N 3.13Å; K94-E119 IonicContact NZ-OE1 3.05Å; K94-E119 PolarHBondContact NZ-OE1 2.87Å; K94-E119 IonicContact NZ-OE2 2.67Å; K94-E119 PolarHBondContact NZ-OE2 3.15Å; K94-T122 HydrophobicContact CB-CG2 3.9Å; K94-T122 HydrophobicContact CD-CG2 4.09Å; K94-Y124 HydrophobicContact CB-CD1 4Å; K94-Y124 HydrophobicContact CB-CE1 3.76Å; K94-Y124 HydrophobicContact CD-CE1 4.43Å; K94-Y124 HydrophobicContact CG-CE1 4.29Å | ||
| 95 | P | 94.4 | Very high | 96.7 | Very high | 105 Ų | 105 | 61.6 Ų | 61.6 | 68% | 0.682 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | 131.9 | 177.6 | -28.2 | 35.3 | 0 | 0 | 0 | 112.6 | S97 E123 | P95-S97 VanDerWaalsContact C-N 3.28Å; P95-S97 PolarHBondContact O-N 2.88Å; P95-E123 VanDerWaalsContact CD-O 3.31Å; P95-E123 WeakPolarHBondContact CD-O 3.45Å |
| 96 | G | 94.4 | Very high | 96.8 | Very high | 93 Ų | 93 | 61 Ų | 61 | 96% | 0.959 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.1 | 8.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | K94 | K94-G96 PolarHBondContact O-N 3.45Š|
| 97 | S | 95.3 | Very high | 96.8 | Very high | 35 Ų | 35 | 67.1 Ų | 67.1 | 25% | 0.245 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -121.6 | 148.4 | 174.6 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | K94 P95 | K94-S97 WeakPolarHBondContact CE-OG 3.4Å; K94-S97 WeakPolarHBondContact CG-OG 3.42Å; K94-S97 PolarHBondContact O-N 3.13Å; P95-S97 VanDerWaalsContact C-N 3.28Å; P95-S97 PolarHBondContact O-N 2.88Å |
| 98 | P | 94.9 | Very high | 96.8 | Very high | 101 Ų | 101 | 70.2 Ų | 70.2 | 66% | 0.656 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 152.5 | 174.4 | 28.8 | -34.7 | 0 | 0 | 0 | 111.6 | R100 | P98-R100 PolarHBondContact O-N 3.22Š|
| 99 | P | 95.8 | Very high | 96.5 | Very high | 70 Ų | 70 | 73.4 Ų | 73.4 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -60.4 | 133.9 | 174.6 | -15.4 | 21.5 | 0 | 0 | 0 | 112.8 | K91 E93 | K91-P99 HydrophobicContact CB-CB 4.43Å; K91-P99 HydrophobicContact CD-CB 4.38Å; E93-P99 HydrophobicContact CB-CB 4.26Å; E93-P99 HydrophobicContact CB-CG 4.41Å; E93-P99 WeakPolarHBondContact OE2-CD 3.42Å; E93-P99 VanDerWaalsContact OE2-CG 3.3Å; E93-P99 WeakPolarHBondContact OE2-CG 3.26Å |
| 100 | R | 97.8 | Very high | 96.5 | Very high | 137 Ų | 137 | 75.9 Ų | 75.9 | 52% | 0.517 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 156.7 | 170.8 | -63.1 | -178.6 | -177.5 | -176.5 | 0.8 | 109.9 | K91 Y92 P98 | K91-R100 CarbonylContact C-O 3.54Å; K91-R100 WeakPolarHBondContact CA-O 3.02Å; K91-R100 WeakPolarHBondContact CB-O 3.33Å; Y92-R100 HydrophobicContact CD1-CB 4.25Å; Y92-R100 HydrophobicContact CD2-CB 4.41Å; Y92-R100 HydrophobicContact CE1-CB 3.71Å; Y92-R100 HydrophobicContact CE2-CB 3.89Å; Y92-R100 HydrophobicContact CE2-CG 4.45Å; Y92-R100 VanDerWaalsContact CZ-CB 3.5Å; Y92-R100 PolarHBondContact N-O 3.23Å; Y92-R100 PolarHBondContact O-N 2.88Å; P98-R100 PolarHBondContact O-N 3.22Å |
| 101 | E | 97.6 | Very high | 96.4 | Very high | 61 Ų | 61 | 78.5 Ų | 78.5 | 29% | 0.285 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 142.7 | 178.5 | -169.2 | 172.7 | 126.6 | 0 | 0 | 110.5 | I89 I90 R105 | I89-E101 HydrophobicContact CG2-CG 4.1Å; I90-E101 WeakPolarHBondContact O-CA 3.35Å; E101-R105 IonicContact OE1-CZ 3.96Å; E101-R105 IonicContact OE1-NE 2.62Å; E101-R105 PolarHBondContact OE1-NE 2.84Å; E101-R105 IonicContact OE1-NH2 2.77Å; E101-R105 PolarHBondContact OE1-NH2 2.98Å; E101-R105 IonicContact OE2-NH2 3.52Å; E101-R105 PolarHBondContact OE2-NH2 2.98Å |
| 102 | V | 97.8 | Very high | 96.4 | Very high | 19 Ų | 19 | 79.5 Ų | 79.5 | 12% | 0.115 | 46% | 0.455 | C | S | . | . | trans | -76.7 | 130 | 171.4 | -179.5 | 0 | 0 | 0 | 0 | 109.4 | I90 Y92 I115 | I90-V102 HydrophobicContact CB-CB 4.1Å; I90-V102 HydrophobicContact CB-CG2 3.87Å; I90-V102 HydrophobicContact CG2-CG2 3.73Å; I90-V102 PolarHBondContact O-N 2.87Å; Y92-V102 HydrophobicContact CD1-CG2 3.97Å; Y92-V102 HydrophobicContact CE1-CG2 4.09Å; V102-I115 HydrophobicContact CG2-CD1 4.45Å; V102-I115 HydrophobicContact CG2-CG1 3.95Å; V102-I115 HydrophobicContact CG2-CG2 4.23Å | ||
| 103 | V | 95.6 | Very high | 96.4 | Very high | 125 Ų | 125 | 78.9 Ų | 78.9 | 76% | 0.758 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -125.6 | 132.4 | 179.4 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | ||
| 104 | P | 95.9 | Very high | 96.4 | Very high | 111 Ų | 111 | 80.2 Ų | 80.2 | 72% | 0.721 | 47% | 0.467 | S | S | * | . | S | Bend | cis | -73.8 | 157.2 | -0.5 | 31.9 | -35.7 | 0 | 0 | 0 | 113.1 | ||
| 105 | R | 96.7 | Very high | 96.5 | Very high | 129 Ų | 129 | 78 Ų | 78 | 49% | 0.487 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 134.6 | 174.2 | -73.9 | -178.5 | -177.2 | 178.6 | -1.7 | 111 | Y88 E101 R107 | Y88-R105 WeakPolarHBondContact O-CB 3.41Å; E101-R105 IonicContact OE1-CZ 3.96Å; E101-R105 IonicContact OE1-NE 2.62Å; E101-R105 PolarHBondContact OE1-NE 2.84Å; E101-R105 IonicContact OE1-NH2 2.77Å; E101-R105 PolarHBondContact OE1-NH2 2.98Å; E101-R105 IonicContact OE2-NH2 3.52Å; E101-R105 PolarHBondContact OE2-NH2 2.98Å; R105-R107 PolarHBondContact O-N 2.84Å |
| 106 | P | 97.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 77.5 Ų | 77.5 | 10% | 0.097 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 134.9 | 174.8 | -21.6 | 31.3 | 0 | 0 | 0 | 112 | W78 G87 Y88 I90 V110 A113 | W78-P106 HydrophobicContact CH2-CB 4.47Å; W78-P106 HydrophobicContact CH2-CG 4.33Å; W78-P106 HydrophobicContact CZ2-CB 4.48Å; G87-P106 WeakPolarHBondContact CA-O 3.12Å; Y88-P106 HydrophobicContact CD2-CB 4.15Å; Y88-P106 PolarHBondContact N-O 2.86Å; I90-P106 HydrophobicContact CD1-CG 3.71Å; I90-P106 HydrophobicContact CG1-CG 4.13Å; P106-V110 HydrophobicContact CB-CB 4.21Å; P106-V110 HydrophobicContact CB-CG1 4.13Å; P106-A113 HydrophobicContact CG-CB 4.41Å |
| 107 | R | 96.9 | Very high | 96.7 | Very high | 198 Ų | 198 | 76 Ų | 76 | 75% | 0.747 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -71.9 | 160.6 | 176.7 | -70.7 | -179.2 | -172.4 | -101.8 | 1.7 | 110.9 | R105 V110 | R105-R107 PolarHBondContact O-N 2.84Å; R107-V110 HydrophobicContact CB-CG2 4.27Å; R107-V110 WeakPolarHBondContact O-CB 3.25Å; R107-V110 PolarHBondContact O-N 3.32Å |
| 108 | P | 95.4 | Very high | 96.8 | Very high | 70 Ų | 70 | 74.8 Ų | 74.8 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 142.7 | 171.4 | 27.3 | -34.2 | 0 | 0 | 0 | 109.9 | I85 T86 V110 | I85-P108 HydrophobicContact CG1-CB 4.25Å; T86-P108 WeakPolarHBondContact O-CD 3.17Å; P108-V110 VanDerWaalsContact C-N 3.31Å |
| 109 | G | 93.4 | Very high | 96.9 | Very high | 68 Ų | 68 | 74.1 Ų | 74.1 | 70% | 0.701 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.8 | -17.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 110 | V | 96.6 | Very high | 97 | Very high | 57 Ų | 57 | 73.2 Ų | 73.2 | 35% | 0.345 | 41% | 0.41 | S | S | . | . | trans | -76.7 | 134 | 171.2 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | W78 Y88 P106 R107 P108 E112 | W78-V110 WeakPolarHBondContact CZ2-O 3.46Å; Y88-V110 WeakPolarHBondContact CE2-O 3.46Å; P106-V110 HydrophobicContact CB-CB 4.21Å; P106-V110 HydrophobicContact CB-CG1 4.13Å; R107-V110 HydrophobicContact CB-CG2 4.27Å; R107-V110 WeakPolarHBondContact O-CB 3.25Å; R107-V110 PolarHBondContact O-N 3.32Å; P108-V110 VanDerWaalsContact C-N 3.31Å; V110-E112 WeakPolarHBondContact CG1-O 3.47Å | ||
| 111 | T | 97.6 | Very high | 97 | Very high | 56 Ų | 56 | 67.8 Ų | 67.8 | 34% | 0.344 | 40% | 0.397 | S | S | . | . | trans | -123.4 | 7.2 | -179.6 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | S77 W78 A80 | S77-T111 CarbonylContact C-O 3.46Å; S77-T111 VanDerWaalsContact CA-O 3.23Å; S77-T111 WeakPolarHBondContact CA-O 3.41Å; W78-T111 PolarHBondContact N-O 2.87Å; W78-T111 WeakPolarHBondContact O-CB 2.99Å; A80-T111 HydrophobicContact CB-CG2 4.47Å | ||
| 112 | E | 98.1 | Very high | 97 | Very high | 99 Ų | 99 | 66.3 Ų | 66.3 | 46% | 0.463 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.6 | -178.3 | -70.8 | -179.2 | -171.1 | 0 | 0 | 110.9 | L67 V76 V110 | L67-E112 HydrophobicContact CD1-CG 4.38Å; V76-E112 CarbonylContact O-C 3.53Å; V76-E112 VanDerWaalsContact O-CA 3.24Å; V76-E112 WeakPolarHBondContact O-CA 3.36Å; V110-E112 WeakPolarHBondContact CG1-O 3.47Å |
| 113 | A | 98 | Very high | 97.1 | Very high | 15 Ų | 15 | 69.8 Ų | 69.8 | 12% | 0.124 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 147 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | V76 W78 I90 P106 | V76-A113 HydrophobicContact CG2-CB 4.39Å; V76-A113 VanDerWaalsContact CG2-O 3.27Å; V76-A113 WeakPolarHBondContact CG2-O 3.3Å; V76-A113 PolarHBondContact N-O 2.91Å; V76-A113 PolarHBondContact O-N 2.9Å; W78-A113 HydrophobicContact CH2-CB 3.92Å; W78-A113 HydrophobicContact CZ3-CB 3.94Å; I90-A113 HydrophobicContact CD1-CB 3.34Å; P106-A113 HydrophobicContact CG-CB 4.41Å |
| 114 | T | 98.1 | Very high | 97.2 | Very high | 74 Ų | 74 | 64.3 Ų | 64.3 | 45% | 0.454 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 127.3 | 173 | -50.4 | 0 | 0 | 0 | 0 | 109.9 | L74 T116 | L74-T114 WeakPolarHBondContact O-CA 3.48Å; T114-T116 HydrophobicContact CG2-CG2 3.76Å |
| 115 | I | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.9 | 171.8 | -47.4 | -178.9 | 0 | 0 | 0 | 106.9 | S73 L74 V76 I90 Y92 V102 L118 I126 | S73-I115 CarbonylContact C-O 3.47Å; S73-I115 WeakPolarHBondContact CA-O 3.23Å; S73-I115 WeakPolarHBondContact CB-O 3.43Å; L74-I115 PolarHBondContact N-O 2.89Å; L74-I115 PolarHBondContact O-N 2.94Å; V76-I115 HydrophobicContact CG1-CD1 4.44Å; V76-I115 HydrophobicContact CG2-CD1 4.41Å; I90-I115 HydrophobicContact CG2-CD1 4.01Å; Y92-I115 HydrophobicContact CD1-CG2 3.61Å; Y92-I115 HydrophobicContact CD2-CG2 4.1Å; Y92-I115 HydrophobicContact CE1-CG2 3.84Å; Y92-I115 HydrophobicContact CE2-CG2 4.3Å; Y92-I115 HydrophobicContact CG-CG2 3.76Å; V102-I115 HydrophobicContact CG2-CD1 4.45Å; V102-I115 HydrophobicContact CG2-CG1 3.95Å; V102-I115 HydrophobicContact CG2-CG2 4.23Å; I115-L118 HydrophobicContact CG2-CD1 4.31Å; I115-L118 HydrophobicContact CG2-CD2 3.87Å; I115-L118 HydrophobicContact CG2-CG 4.35Å; I115-I126 HydrophobicContact CD1-CD1 3.62Å; I115-I126 HydrophobicContact CD1-CG1 4.14Å; I115-I126 HydrophobicContact CD1-CG2 3.74Å |
| 116 | T | 97.7 | Very high | 97.4 | Very high | 93 Ų | 93 | 53.5 Ų | 53.5 | 57% | 0.571 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 170.3 | -175 | 58.5 | 0 | 0 | 0 | 0 | 111.7 | N72 T114 L118 | N72-T116 CarbonylContact O-C 3.56Å; T114-T116 HydrophobicContact CG2-CG2 3.76Å; T116-L118 VanDerWaalsContact C-N 3.32Å |
| 117 | G | 96.1 | Very high | 97.5 | Very high | 62 Ų | 62 | 55.1 Ų | 55.1 | 64% | 0.639 | 32% | 0.324 | S | S | * | . | S | Bend | trans | 71.4 | 29.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | N72 | N72-G117 PolarHBondContact O-N 2.66Š|
| 118 | L | 97.7 | Very high | 97.6 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -84.4 | 158.7 | 176.8 | -54.4 | -178 | 0 | 0 | 0 | 111 | N72 L74 Y92 I115 T116 Y124 T146 | N72-L118 WeakPolarHBondContact CA-O 3.49Å; N72-L118 PolarHBondContact O-N 2.62Å; L74-L118 HydrophobicContact CB-CD1 4.2Å; L74-L118 HydrophobicContact CD1-CD1 3.8Å; L74-L118 HydrophobicContact CG-CD1 3.61Å; Y92-L118 HydrophobicContact CD2-CD2 3.72Å; Y92-L118 HydrophobicContact CE2-CD2 3.7Å; I115-L118 HydrophobicContact CG2-CD1 4.31Å; I115-L118 HydrophobicContact CG2-CD2 3.87Å; I115-L118 HydrophobicContact CG2-CG 4.35Å; T116-L118 VanDerWaalsContact C-N 3.32Å; L118-Y124 HydrophobicContact CB-CD2 4.42Å; L118-Y124 HydrophobicContact CB-CE2 3.72Å; L118-Y124 HydrophobicContact CD1-CD2 4.24Å; L118-Y124 HydrophobicContact CD1-CE2 4.35Å; L118-Y124 HydrophobicContact CD2-CD1 4.05Å; L118-Y124 HydrophobicContact CD2-CD2 4.36Å; L118-Y124 HydrophobicContact CD2-CE1 3.7Å; L118-Y124 HydrophobicContact CD2-CE2 4.05Å; L118-Y124 HydrophobicContact CD2-CG 4.36Å; L118-Y124 HydrophobicContact CG-CE2 4.25Å; L118-T146 HydrophobicContact CB-CG2 3.92Å; L118-T146 HydrophobicContact CD1-CG2 3.87Å |
| 119 | E | 97.6 | Very high | 97.7 | Very high | 87 Ų | 87 | 43.3 Ų | 43.3 | 41% | 0.407 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -85.9 | 138.7 | 175.6 | -74.6 | 166.2 | -153.3 | 0 | 0 | 110.5 | P71 K94 T122 Y124 T146 | P71-E119 CarbonylContact O-C 3.47Å; K94-E119 IonicContact NZ-OE1 3.05Å; K94-E119 PolarHBondContact NZ-OE1 2.87Å; K94-E119 IonicContact NZ-OE2 2.67Å; K94-E119 PolarHBondContact NZ-OE2 3.15Å; E119-T122 HydrophobicContact CB-CG2 4.48Å; E119-T122 WeakPolarHBondContact CB-OG1 3.29Å; E119-T122 WeakPolarHBondContact O-CB 3.43Å; E119-Y124 PolarHBondContact N-OH 3.19Å; E119-T146 PolarHBondContact O-OG1 3.1Å |
| 120 | P | 97.9 | Very high | 97.9 | Very high | 51 Ų | 51 | 40 Ų | 40 | 33% | 0.331 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 148 | 173.8 | -26.2 | 35.2 | 0 | 0 | 0 | 113 | P71 T122 D147 L149 | P71-P120 HydrophobicContact CB-CB 4.03Å; P71-P120 HydrophobicContact CB-CG 4.01Å; P71-P120 WeakPolarHBondContact O-CA 3.37Å; P71-P120 VanDerWaalsContact O-N 3.08Å; P120-T122 PolarHBondContact O-N 2.84Å; P120-T122 PolarHBondContact O-OG1 2.76Å; P120-D147 CarbonylContact C-O 3.58Å; P120-D147 WeakPolarHBondContact CA-O 3.41Å; P120-L149 HydrophobicContact CB-CD1 4.44Å; P120-L149 HydrophobicContact CB-CG 3.84Å; P120-L149 HydrophobicContact CG-CD1 3.86Å; P120-L149 HydrophobicContact CG-CD2 4.01Å; P120-L149 HydrophobicContact CG-CG 3.55Å |
| 121 | G | 97.3 | Very high | 97.9 | Very high | 23 Ų | 23 | 38.2 Ų | 38.2 | 24% | 0.237 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 22.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | K145 T146 D147 | G121-K145 WeakPolarHBondContact O-CE 3.5Å; G121-T146 WeakPolarHBondContact CA-O 3.49Å; G121-T146 PolarHBondContact N-O 2.93Å; G121-T146 PolarHBondContact N-OG1 3.04Å; G121-T146 VanDerWaalsContact N-OG1 3.17Å; G121-D147 PolarHBondContact N-O 3.44Å |
| 122 | T | 98.1 | Very high | 97.7 | Very high | 30 Ų | 30 | 37 Ų | 37 | 18% | 0.184 | 22% | 0.216 | C | C | . | . | trans | -112.8 | 133.1 | -171.7 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | K94 E119 P120 Y124 K145 T146 | K94-T122 HydrophobicContact CB-CG2 3.9Å; K94-T122 HydrophobicContact CD-CG2 4.09Å; E119-T122 HydrophobicContact CB-CG2 4.48Å; E119-T122 WeakPolarHBondContact CB-OG1 3.29Å; E119-T122 WeakPolarHBondContact O-CB 3.43Å; P120-T122 PolarHBondContact O-N 2.84Å; P120-T122 PolarHBondContact O-OG1 2.76Å; T122-Y124 HydrophobicContact CG2-CD2 4.25Å; T122-Y124 HydrophobicContact CG2-CE2 3.7Å; T122-Y124 WeakPolarHBondContact O-CD2 3.41Å; T122-K145 WeakPolarHBondContact O-CA 3.36Å; T122-T146 PolarHBondContact N-OG1 3.48Å; T122-T146 PolarHBondContact O-N 2.76Å; T122-T146 PolarHBondContact O-OG1 2.89Å | ||
| 123 | E | 98.4 | Very high | 97.1 | Very high | 93 Ų | 93 | 38 Ų | 38 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 126.2 | 174.8 | -173.7 | 170.2 | 86.6 | 0 | 0 | 111 | P95 | P95-E123 VanDerWaalsContact CD-O 3.31Å; P95-E123 WeakPolarHBondContact CD-O 3.45Å |
| 124 | Y | 98.5 | Very high | 96.6 | Very high | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 138.7 | 174.6 | -73.5 | -89.7 | 0 | 0 | 0 | 111.1 | Y92 E93 K94 L118 E119 T122 R143 K144 T146 | Y92-Y124 HydrophobicContact CD2-CD1 4.02Å; Y92-Y124 HydrophobicContact CD2-CE1 4.12Å; E93-Y124 CarbonylContact O-C 3.52Å; E93-Y124 VanDerWaalsContact O-CA 3.26Å; E93-Y124 WeakPolarHBondContact O-CA 3.49Å; K94-Y124 HydrophobicContact CB-CD1 4Å; K94-Y124 HydrophobicContact CB-CE1 3.76Å; K94-Y124 HydrophobicContact CD-CE1 4.43Å; K94-Y124 HydrophobicContact CG-CE1 4.29Å; L118-Y124 HydrophobicContact CB-CD2 4.42Å; L118-Y124 HydrophobicContact CB-CE2 3.72Å; L118-Y124 HydrophobicContact CD1-CD2 4.24Å; L118-Y124 HydrophobicContact CD1-CE2 4.35Å; L118-Y124 HydrophobicContact CD2-CD1 4.05Å; L118-Y124 HydrophobicContact CD2-CD2 4.36Å; L118-Y124 HydrophobicContact CD2-CE1 3.7Å; L118-Y124 HydrophobicContact CD2-CE2 4.05Å; L118-Y124 HydrophobicContact CD2-CG 4.36Å; L118-Y124 HydrophobicContact CG-CE2 4.25Å; E119-Y124 PolarHBondContact N-OH 3.19Å; T122-Y124 HydrophobicContact CG2-CD2 4.25Å; T122-Y124 HydrophobicContact CG2-CE2 3.7Å; T122-Y124 WeakPolarHBondContact O-CD2 3.41Å; Y124-R143 VanDerWaalsContact O-CA 3.27Å; Y124-R143 WeakPolarHBondContact O-CA 3.46Å; Y124-K144 PolarHBondContact N-O 3.19Å; Y124-K144 PolarHBondContact O-N 3.13Å; Y124-T146 HydrophobicContact CD2-CG2 4.13Å; Y124-T146 HydrophobicContact CE2-CG2 4.18Å |
| 125 | T | 98.6 | Very high | 96.3 | Very high | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.08 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.7 | 165.1 | -56.7 | 0 | 0 | 0 | 0 | 108.9 | Y92 E93 Y127 I141 R143 | Y92-T125 VanDerWaalsContact CA-O 3.29Å; Y92-T125 WeakPolarHBondContact CA-O 3.44Å; E93-T125 PolarHBondContact N-O 3.17Å; E93-T125 PolarHBondContact O-N 3.48Å; T125-Y127 HydrophobicContact CG2-CD2 4.47Å; T125-Y127 HydrophobicContact CG2-CE1 4.19Å; T125-Y127 HydrophobicContact CG2-CE2 3.73Å; T125-I141 HydrophobicContact CG2-CG2 3.6Å; T125-R143 HydrophobicContact CG2-CG 4.13Å; T125-R143 WeakPolarHBondContact OG1-CG 3.39Å; T125-R143 PolarHBondContact OG1-NE 3.13Å |
| 126 | I | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 137.4 | -178.4 | -46.9 | -51.4 | 0 | 0 | 0 | 109.2 | F66 L74 I90 K91 Y92 I115 I141 G142 | F66-I126 HydrophobicContact CE1-CG1 3.81Å; F66-I126 HydrophobicContact CZ-CG1 4.09Å; L74-I126 HydrophobicContact CD1-CD1 4.25Å; I90-I126 HydrophobicContact CG2-CG2 4.02Å; K91-I126 CarbonylContact O-C 3.55Å; K91-I126 WeakPolarHBondContact O-CA 3.43Å; Y92-I126 VanDerWaalsContact CB-CD1 3.5Å; I115-I126 HydrophobicContact CD1-CD1 3.62Å; I115-I126 HydrophobicContact CD1-CG1 4.14Å; I115-I126 HydrophobicContact CD1-CG2 3.74Å; I126-I141 VanDerWaalsContact O-CA 3.31Å; I126-I141 WeakPolarHBondContact O-CA 3.33Å; I126-G142 PolarHBondContact N-O 2.69Å; I126-G142 PolarHBondContact O-N 2.98Å |
| 127 | Y | 98.5 | Very high | 96.2 | Very high | 49 Ų | 49 | 47.6 Ų | 47.6 | 19% | 0.192 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.1 | 177.9 | -54 | -95.8 | 0 | 0 | 0 | 109.2 | I90 K91 E93 T125 P139 L140 I141 | I90-Y127 CarbonylContact C-O 3.55Å; I90-Y127 VanDerWaalsContact CA-O 3.3Å; I90-Y127 WeakPolarHBondContact CA-O 3.37Å; K91-Y127 HydrophobicContact CB-CD2 4.17Å; K91-Y127 PolarHBondContact N-O 2.75Å; K91-Y127 PolarHBondContact O-N 3.26Å; E93-Y127 HydrophobicContact CG-CE2 4.15Å; E93-Y127 WeakPolarHBondContact OE1-CE2 3.47Å; E93-Y127 VanDerWaalsContact OE1-CZ 3.3Å; E93-Y127 PolarHBondContact OE1-OH 2.88Å; T125-Y127 HydrophobicContact CG2-CD2 4.47Å; T125-Y127 HydrophobicContact CG2-CE1 4.19Å; T125-Y127 HydrophobicContact CG2-CE2 3.73Å; Y127-P139 HydrophobicContact CD1-CB 3.97Å; Y127-P139 HydrophobicContact CD1-CG 4.35Å; Y127-L140 CarbonylContact C-O 3.56Å; Y127-L140 WeakPolarHBondContact CA-O 3.44Å; Y127-I141 HydrophobicContact CD1-CD1 4.03Å; Y127-I141 HydrophobicContact CD1-CG1 3.74Å; Y127-I141 HydrophobicContact CD1-CG2 4.44Å; Y127-I141 HydrophobicContact CE1-CD1 3.81Å; Y127-I141 HydrophobicContact CE1-CG1 3.97Å; Y127-I141 HydrophobicContact CE1-CG2 4.21Å |
| 128 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 118.4 | 172.1 | -171.2 | 0 | 0 | 0 | 0 | 108.8 | P61 L64 W78 Y88 I90 L140 | P61-V128 HydrophobicContact CB-CG1 4.35Å; P61-V128 HydrophobicContact CG-CG1 4.07Å; L64-V128 HydrophobicContact CD1-CG2 3.88Å; W78-V128 HydrophobicContact CD2-CG1 3.82Å; W78-V128 HydrophobicContact CE3-CG1 4.22Å; W78-V128 HydrophobicContact CE3-CG2 4.26Å; W78-V128 HydrophobicContact CG-CG1 4.07Å; W78-V128 HydrophobicContact CZ2-CG1 4.45Å; Y88-V128 HydrophobicContact CD1-CG1 4.15Å; I90-V128 HydrophobicContact CG1-CG1 4.34Å; I90-V128 HydrophobicContact CG1-CG2 4.43Å; V128-L140 HydrophobicContact CB-CB 4.25Å; V128-L140 PolarHBondContact N-O 2.89Å; V128-L140 PolarHBondContact O-N 3Å |
| 129 | I | 98.4 | Very high | 96.4 | Very high | 20 Ų | 20 | 53.3 Ų | 53.3 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.9 | -173.8 | -60.8 | 158 | 0 | 0 | 0 | 108.4 | Y88 I89 K136 P139 | Y88-I129 CarbonylContact C-O 3.58Å; Y88-I129 VanDerWaalsContact CA-O 3.26Å; Y88-I129 WeakPolarHBondContact CA-O 3.32Å; I89-I129 HydrophobicContact CB-CB 4.28Å; I89-I129 HydrophobicContact CG2-CD1 4.34Å; I89-I129 PolarHBondContact N-O 3.43Å; I89-I129 PolarHBondContact O-N 2.97Å; I129-K136 HydrophobicContact CG2-CB 3.91Å; I129-K136 HydrophobicContact CG2-CG 4.34Å; I129-P139 HydrophobicContact CD1-CB 4.45Å; I129-P139 HydrophobicContact CG1-CB 3.83Å |
| 130 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 142.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I58 P61 P81 I85 Y88 K136 S137 | I58-A130 HydrophobicContact CG2-CB 3.99Å; P61-A130 HydrophobicContact CG-CB 4.06Å; P81-A130 HydrophobicContact CG-CB 3.87Å; I85-A130 HydrophobicContact CG2-CB 3.9Å; Y88-A130 HydrophobicContact CD1-CB 4.41Å; Y88-A130 HydrophobicContact CE1-CB 4.41Å; A130-K136 WeakPolarHBondContact O-CA 3.32Å; A130-S137 PolarHBondContact N-OG 2.78Å; A130-S137 PolarHBondContact O-N 2.92Å |
| 131 | L | 96.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 9% | 0.094 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139 | 177.9 | -67.2 | 178.8 | 0 | 0 | 0 | 111.5 | I85 T86 G87 I89 Q135 K136 | I85-L131 CarbonylContact C-O 3.58Å; I85-L131 VanDerWaalsContact CA-O 3.25Å; I85-L131 WeakPolarHBondContact CA-O 3.3Å; I85-L131 WeakPolarHBondContact CB-O 3.44Å; T86-L131 PolarHBondContact N-O 2.67Å; T86-L131 PolarHBondContact OG1-O 3.4Å; G87-L131 WeakPolarHBondContact O-CB 3.39Å; G87-L131 PolarHBondContact O-N 3.07Å; I89-L131 HydrophobicContact CD1-CD1 3.87Å; I89-L131 HydrophobicContact CD1-CD2 3.82Å; I89-L131 HydrophobicContact CD1-CG 4.18Å; I89-L131 HydrophobicContact CG1-CD1 3.65Å; I89-L131 HydrophobicContact CG1-CD2 4.27Å; I89-L131 HydrophobicContact CG1-CG 4.08Å; L131-Q135 WeakPolarHBondContact CA-O 3.34Å; L131-K136 HydrophobicContact CD2-CD 4.42Å; L131-K136 HydrophobicContact CD2-CG 3.66Å |
| 132 | K | 92.5 | Very high | 96.5 | Very high | 32 Ų | 32 | 52 Ų | 52 | 14% | 0.139 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 107.8 | 163 | -173.9 | -170.4 | 179.1 | -154.9 | 0 | 107.8 | G31 D33 I58 R84 T86 N134 Q135 | G31-K132 WeakPolarHBondContact O-CD 3.49Å; G31-K132 WeakPolarHBondContact O-CE 3.34Å; G31-K132 PolarHBondContact O-NZ 2.9Å; D33-K132 IonicContact OD2-NZ 3.13Å; I58-K132 HydrophobicContact CD1-CB 3.46Å; I58-K132 VanDerWaalsContact CD1-CB 3.46Å; I58-K132 VanDerWaalsContact CD1-N 3.33Å; I58-K132 HydrophobicContact CG1-CB 4.11Å; R84-K132 WeakPolarHBondContact O-CD 3.25Å; R84-K132 WeakPolarHBondContact O-CG 3.27Å; T86-K132 WeakPolarHBondContact OG1-CA 3.17Å; K132-N134 PolarHBondContact O-N 2.82Å; K132-N134 VanDerWaalsContact O-N 3.1Å; K132-Q135 PolarHBondContact N-O 3Å; K132-Q135 VanDerWaalsContact N-O 3.07Å; K132-Q135 WeakPolarHBondContact O-CB 3.5Å; K132-Q135 PolarHBondContact O-N 3.37Å |
| 133 | N | 86.3 | Confident | 96.5 | Very high | 120 Ų | 120 | 58.5 Ų | 58.5 | 64% | 0.642 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | -115.8 | -171.8 | -53.9 | -32.3 | 0 | 0 | 0 | 110.1 | T86 | T86-N133 PolarHBondContact OG1-N 2.84Å; T86-N133 VanDerWaalsContact OG1-N 3.13Å |
| 134 | N | 87.1 | Confident | 96.5 | Very high | 161 Ų | 161 | 57.8 Ų | 57.8 | 86% | 0.861 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -1.9 | 179.4 | -65.7 | 8.4 | 0 | 0 | 0 | 113.5 | K132 | K132-N134 PolarHBondContact O-N 2.82Å; K132-N134 VanDerWaalsContact O-N 3.1Å |
| 135 | Q | 92.3 | Very high | 96.5 | Very high | 74 Ų | 74 | 62.1 Ų | 62.1 | 35% | 0.346 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 147.1 | 178.6 | -68.7 | 176.5 | -19.7 | 0 | 0 | 111.1 | I58 L131 K132 | I58-Q135 HydrophobicContact CD1-CB 3.67Å; I58-Q135 WeakPolarHBondContact CD1-O 3.26Å; I58-Q135 HydrophobicContact CG1-CB 4.19Å; L131-Q135 WeakPolarHBondContact CA-O 3.34Å; K132-Q135 PolarHBondContact N-O 3Å; K132-Q135 VanDerWaalsContact N-O 3.07Å; K132-Q135 WeakPolarHBondContact O-CB 3.5Å; K132-Q135 PolarHBondContact O-N 3.37Å |
| 136 | K | 96.4 | Very high | 96.5 | Very high | 138 Ų | 138 | 61.7 Ų | 61.7 | 60% | 0.6 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 143.3 | 177.3 | -63 | -176 | 179.8 | 122 | 0 | 109 | I129 A130 L131 | I129-K136 HydrophobicContact CG2-CB 3.91Å; I129-K136 HydrophobicContact CG2-CG 4.34Å; A130-K136 WeakPolarHBondContact O-CA 3.32Å; L131-K136 HydrophobicContact CD2-CD 4.42Å; L131-K136 HydrophobicContact CD2-CG 3.66Å |
| 137 | S | 98.3 | Very high | 96.4 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 7% | 0.07 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 169.9 | 165.4 | 71.2 | 0 | 0 | 0 | 0 | 111 | I58 A130 | I58-S137 WeakPolarHBondContact O-CB 3.34Å; A130-S137 PolarHBondContact N-OG 2.78Å; A130-S137 PolarHBondContact O-N 2.92Å |
| 138 | E | 98.2 | Very high | 96.3 | Very high | 148 Ų | 148 | 69 Ų | 69 | 69% | 0.692 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 149.4 | 156.5 | -68.6 | -56.3 | 136.6 | 0 | 0 | 110.4 | A60 | A60-E138 HydrophobicContact CB-CB 4.38Å; A60-E138 VanDerWaalsContact CB-O 3.23Å; A60-E138 WeakPolarHBondContact CB-O 3.33Å |
| 139 | P | 98.3 | Very high | 96 | Very high | 44 Ų | 44 | 74.3 Ų | 74.3 | 29% | 0.286 | 36% | 0.362 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 138 | -180 | 30.4 | -33.6 | 0 | 0 | 0 | 111.5 | Y127 I129 I141 | Y127-P139 HydrophobicContact CD1-CB 3.97Å; Y127-P139 HydrophobicContact CD1-CG 4.35Å; I129-P139 HydrophobicContact CD1-CB 4.45Å; I129-P139 HydrophobicContact CG1-CB 3.83Å; P139-I141 HydrophobicContact CB-CG1 4.1Å; P139-I141 HydrophobicContact CG-CD1 4.09Å; P139-I141 HydrophobicContact CG-CG1 4.11Å |
| 140 | L | 98.6 | Very high | 95.4 | Very high | 27 Ų | 27 | 79 Ų | 79 | 14% | 0.141 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 119.9 | 159.5 | 175.6 | 63.6 | 0 | 0 | 0 | 108.8 | P61 L64 W78 Y127 V128 | P61-L140 HydrophobicContact CB-CB 4.2Å; P61-L140 HydrophobicContact CB-CD2 3.91Å; P61-L140 WeakPolarHBondContact O-CB 3.44Å; L64-L140 HydrophobicContact CB-CD1 4.2Å; L64-L140 HydrophobicContact CB-CD2 3.67Å; L64-L140 HydrophobicContact CB-CG 3.83Å; L64-L140 HydrophobicContact CD1-CD2 4.39Å; L64-L140 HydrophobicContact CD2-CG 4.45Å; L64-L140 HydrophobicContact CG-CD2 4.5Å; W78-L140 HydrophobicContact CB-CD2 3.85Å; Y127-L140 CarbonylContact C-O 3.56Å; Y127-L140 WeakPolarHBondContact CA-O 3.44Å; V128-L140 HydrophobicContact CB-CB 4.25Å; V128-L140 PolarHBondContact N-O 2.89Å; V128-L140 PolarHBondContact O-N 3Å |
| 141 | I | 98.4 | Very high | 94.5 | Very high | 90 Ų | 90 | 87.4 Ų | 87.4 | 46% | 0.462 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 139.4 | -171.4 | -51.3 | 178.8 | 0 | 0 | 0 | 110.7 | T125 I126 Y127 P139 | T125-I141 HydrophobicContact CG2-CG2 3.6Å; I126-I141 VanDerWaalsContact O-CA 3.31Å; I126-I141 WeakPolarHBondContact O-CA 3.33Å; Y127-I141 HydrophobicContact CD1-CD1 4.03Å; Y127-I141 HydrophobicContact CD1-CG1 3.74Å; Y127-I141 HydrophobicContact CD1-CG2 4.44Å; Y127-I141 HydrophobicContact CE1-CD1 3.81Å; Y127-I141 HydrophobicContact CE1-CG1 3.97Å; Y127-I141 HydrophobicContact CE1-CG2 4.21Å; P139-I141 HydrophobicContact CB-CG1 4.1Å; P139-I141 HydrophobicContact CG-CD1 4.09Å; P139-I141 HydrophobicContact CG-CG1 4.11Å |
| 142 | G | 98.2 | Very high | 93.5 | Very high | 15 Ų | 15 | 94.5 Ų | 94.5 | 16% | 0.155 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 156.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I126 | I126-G142 PolarHBondContact N-O 2.69Å; I126-G142 PolarHBondContact O-N 2.98Å |
| 143 | R | 98.2 | Very high | 92.3 | Very high | 167 Ų | 167 | 99.2 Ų | 99.2 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.5 | 179.1 | -63.9 | -174 | -179.5 | 160.7 | 4.8 | 110.7 | Y124 T125 | Y124-R143 VanDerWaalsContact O-CA 3.27Å; Y124-R143 WeakPolarHBondContact O-CA 3.46Å; T125-R143 HydrophobicContact CG2-CG 4.13Å; T125-R143 WeakPolarHBondContact OG1-CG 3.39Å; T125-R143 PolarHBondContact OG1-NE 3.13Å |
| 144 | K | 98.3 | Very high | 91 | Very high | 78 Ų | 78 | 99.1 Ų | 99.1 | 34% | 0.339 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 133.5 | 175.1 | -171.5 | 67.2 | 175 | -174.9 | 0 | 110.1 | F66 T69 L74 Y124 | F66-K144 HydrophobicContact CB-CD 4.21Å; F66-K144 HydrophobicContact CB-CG 4.28Å; F66-K144 HydrophobicContact CD1-CB 3.52Å; F66-K144 HydrophobicContact CD1-CD 4.43Å; F66-K144 HydrophobicContact CD1-CG 3.74Å; F66-K144 HydrophobicContact CD2-CB 4.11Å; F66-K144 HydrophobicContact CD2-CD 4.29Å; F66-K144 HydrophobicContact CD2-CG 4.38Å; F66-K144 HydrophobicContact CE1-CB 3.38Å; F66-K144 HydrophobicContact CE1-CG 4.15Å; F66-K144 HydrophobicContact CE2-CB 3.99Å; F66-K144 HydrophobicContact CG-CB 3.89Å; F66-K144 HydrophobicContact CG-CD 4.05Å; F66-K144 HydrophobicContact CG-CG 3.87Å; F66-K144 HydrophobicContact CZ-CB 3.64Å; T69-K144 WeakPolarHBondContact OG1-CE 3.48Å; L74-K144 HydrophobicContact CD1-CB 4.1Å; L74-K144 HydrophobicContact CD1-CG 4.41Å; L74-K144 HydrophobicContact CD2-CB 4.31Å; L74-K144 HydrophobicContact CD2-CG 3.71Å; Y124-K144 PolarHBondContact N-O 3.19Å; Y124-K144 PolarHBondContact O-N 3.13Å |
| 145 | K | 98.3 | Very high | 89.5 | Confident | 100 Ų | 100 | 98 Ų | 98 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 131.1 | 167.9 | -163.5 | -173.3 | 177.2 | -163.5 | 0 | 109 | G121 T122 E148 | G121-K145 WeakPolarHBondContact O-CE 3.5Å; T122-K145 WeakPolarHBondContact O-CA 3.36Å; K145-E148 IonicContact NZ-OE1 2.87Å; K145-E148 PolarHBondContact NZ-OE1 3.41Å |
| 146 | T | 98.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 100.1 Ų | 100.1 | 3% | 0.025 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 158 | 169.3 | 48.4 | 0 | 0 | 0 | 0 | 110.6 | T70 L74 L118 E119 G121 T122 Y124 | T70-T146 WeakPolarHBondContact O-CB 3.06Å; L74-T146 HydrophobicContact CD2-CG2 4.41Å; L74-T146 HydrophobicContact CG-CG2 4.4Å; L118-T146 HydrophobicContact CB-CG2 3.92Å; L118-T146 HydrophobicContact CD1-CG2 3.87Å; E119-T146 PolarHBondContact O-OG1 3.1Å; G121-T146 WeakPolarHBondContact CA-O 3.49Å; G121-T146 PolarHBondContact N-O 2.93Å; G121-T146 PolarHBondContact N-OG1 3.04Å; G121-T146 VanDerWaalsContact N-OG1 3.17Å; T122-T146 PolarHBondContact N-OG1 3.48Å; T122-T146 PolarHBondContact O-N 2.76Å; T122-T146 PolarHBondContact O-OG1 2.89Å; Y124-T146 HydrophobicContact CD2-CG2 4.13Å; Y124-T146 HydrophobicContact CE2-CG2 4.18Å |
| 147 | D | 97.8 | Very high | 85.7 | Confident | 76 Ų | 76 | 101.3 Ų | 101.3 | 41% | 0.406 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -68.2 | 157.1 | 176.7 | -59.4 | -34.8 | 0 | 0 | 0 | 110.7 | T69 T70 P71 P120 G121 | T69-D147 VanDerWaalsContact C-OD2 3.31Å; T70-D147 WeakPolarHBondContact CA-OD2 3.4Å; T70-D147 PolarHBondContact O-N 3.41Å; P71-D147 VanDerWaalsContact CA-O 3.23Å; P71-D147 WeakPolarHBondContact CA-O 3.42Å; P71-D147 WeakPolarHBondContact CB-O 3.42Å; P71-D147 HydrophobicContact CG-CB 3.98Å; P120-D147 CarbonylContact C-O 3.58Å; P120-D147 WeakPolarHBondContact CA-O 3.41Å; G121-D147 PolarHBondContact N-O 3.44Å |
| 148 | E | 96.1 | Very high | 83.5 | Confident | 126 Ų | 126 | 106.6 Ų | 106.6 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 152.1 | 173.1 | -66.5 | 177 | -171.7 | 0 | 0 | 109.5 | K145 | K145-E148 IonicContact NZ-OE1 2.87Å; K145-E148 PolarHBondContact NZ-OE1 3.41Å |
| 149 | L | 92.8 | Very high | 80.9 | Confident | 113 Ų | 113 | 106.1 Ų | 106.1 | 59% | 0.592 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 141.6 | 171.5 | -74.2 | 172.2 | 0 | 0 | 0 | 109.1 | P71 P120 Q151 | P71-L149 HydrophobicContact CB-CD2 3.89Å; P71-L149 HydrophobicContact CB-CG 4.46Å; P71-L149 HydrophobicContact CG-CD2 4.33Å; P120-L149 HydrophobicContact CB-CD1 4.44Å; P120-L149 HydrophobicContact CB-CG 3.84Å; P120-L149 HydrophobicContact CG-CD1 3.86Å; P120-L149 HydrophobicContact CG-CD2 4.01Å; P120-L149 HydrophobicContact CG-CG 3.55Å; L149-Q151 PolarHBondContact O-N 3.22Å |
| 150 | P | 85.1 | Confident | 78.6 | Confident | 117 Ų | 117 | 111.1 Ų | 111.1 | 76% | 0.76 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 127.7 | 171.2 | 23.6 | -31 | 0 | 0 | 0 | 108.9 | L152 | P150-L152 PolarHBondContact O-N 2.88Š|
| 151 | Q | 79.6 | Confident | 76.1 | Confident | 178 Ų | 178 | 118.2 Ų | 118.2 | 83% | 0.832 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 128.8 | 171.6 | -64.8 | -167 | -20.6 | 0 | 0 | 108.5 | L149 V153 | L149-Q151 PolarHBondContact O-N 3.22Å; Q151-V153 PolarHBondContact O-N 2.83Å; Q151-V153 VanDerWaalsContact O-N 3.12Å |
| 152 | L | 74.9 | Confident | 73.9 | Confident | 166 Ų | 166 | 116.1 Ų | 116.1 | 87% | 0.869 | 62% | 0.618 | S | S | * | * | trans | -64.1 | 112.4 | 165.5 | -88.9 | 133.1 | 0 | 0 | 0 | 107.4 | P150 T154 | P150-L152 PolarHBondContact O-N 2.88Å; L152-T154 PolarHBondContact O-N 2.78Å | ||
| 153 | V | 66.4 | Low | 71.6 | Confident | 132 Ų | 132 | 120.9 Ų | 120.9 | 80% | 0.8 | 65% | 0.647 | S | S | * | * | trans | -65.9 | 102.1 | 166.7 | -177.5 | 0 | 0 | 0 | 0 | 106.3 | Q151 L155 | Q151-V153 PolarHBondContact O-N 2.83Å; Q151-V153 VanDerWaalsContact O-N 3.12Å; V153-L155 PolarHBondContact O-N 2.79Å | ||
| 154 | T | 58.8 | Low | 69.2 | Low | 118 Ų | 118 | 121.2 Ų | 121.2 | 72% | 0.724 | 66% | 0.655 | S | S | * | * | trans | -66.9 | 112.9 | 162.9 | 38.4 | 0 | 0 | 0 | 0 | 106.6 | L152 | L152-T154 PolarHBondContact O-N 2.78Š| ||
| 155 | L | 57.4 | Low | 67 | Low | 136 Ų | 136 | 123.7 Ų | 123.7 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | trans | -52.9 | 134 | 165.3 | -79 | 156.7 | 0 | 0 | 0 | 107.2 | V153 H157 | V153-L155 PolarHBondContact O-N 2.79Å; L155-H157 PolarHBondContact O-N 2.86Å | ||
| 156 | P | 52.4 | Low | 64.3 | Low | 119 Ų | 119 | 125.9 Ų | 125.9 | 77% | 0.773 | 69% | 0.687 | S | S | * | * | trans | -58.6 | 108 | 169.5 | 22.4 | -29.2 | 0 | 0 | 0 | 107.2 | P158 | P156-P158 WeakPolarHBondContact O-CD 3.27Š| ||
| 157 | H | 55.8 | Low | 62 | Low | 163 Ų | 163 | 132.6 Ų | 132.6 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | -61.7 | 121.6 | 167.7 | -62.9 | 156.9 | 0 | 0 | 0 | 106.5 | L155 N159 | L155-H157 PolarHBondContact O-N 2.86Å; H157-N159 PolarHBondContact O-N 2.88Å; H157-N159 VanDerWaalsContact O-N 3.17Å | ||
| 158 | P | 52.6 | Low | 59.8 | Low | 121 Ų | 121 | 133.7 Ų | 133.7 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -59.3 | 124.4 | 171 | -13.2 | 26.2 | 0 | 0 | 0 | 107.4 | P156 L160 | P156-P158 WeakPolarHBondContact O-CD 3.27Å; P158-L160 PolarHBondContact O-N 2.75Å | ||
| 159 | N | 43.3 | Very low | 57.1 | Low | 139 Ų | 139 | 133 Ų | 133 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | -18.6 | 101.1 | 174.7 | -76.3 | -33.5 | 0 | 0 | 0 | 114.7 | H157 H161 | H157-N159 PolarHBondContact O-N 2.88Å; H157-N159 VanDerWaalsContact O-N 3.17Å; N159-H161 PolarHBondContact O-N 2.94Å | ||
| 160 | L | 49.5 | Very low | 54.6 | Low | 149 Ų | 149 | 132.6 Ų | 132.6 | 78% | 0.78 | 75% | 0.745 | S | S | * | * | trans | -77.6 | 75.8 | 156.7 | -106.6 | 136.4 | 0 | 0 | 0 | 107.7 | P158 | P158-L160 PolarHBondContact O-N 2.75Š| ||
| 161 | H | 46.2 | Very low | 52.5 | Low | 175 Ų | 175 | 133 Ų | 133 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | trans | -91.4 | 94.2 | 156.8 | -78.9 | -25.3 | 0 | 0 | 0 | 107.9 | N159 | N159-H161 PolarHBondContact O-N 2.94Š| ||
| 162 | G | 53.1 | Low | 50.8 | Low | 46 Ų | 46 | 130.8 Ų | 130.8 | 47% | 0.474 | 74% | 0.744 | S | S | . | * | S | Bend | trans | 172.1 | 132.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | E164 | G162-E164 PolarHBondContact O-N 2.57Š|
| 163 | P | 48.5 | Very low | 49 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | trans | -66.7 | 124.3 | 176.8 | 29 | -30.8 | 0 | 0 | 0 | 108.3 | I165 | P163-I165 PolarHBondContact O-N 3.15Š| ||
| 164 | E | 49 | Very low | 47.5 | Very low | 174 Ų | 174 | 134.5 Ų | 134.5 | 81% | 0.813 | 75% | 0.745 | S | S | * | * | trans | -73.6 | 78.8 | 170.1 | -159.5 | 173.6 | -159.1 | 0 | 0 | 107.6 | G162 L166 | G162-E164 PolarHBondContact O-N 2.57Å; E164-L166 PolarHBondContact O-N 2.77Å | ||
| 165 | I | 50.3 | Low | 46.3 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | trans | -68.4 | 111.8 | 159.3 | -63.7 | 174.4 | 0 | 0 | 0 | 104.6 | P163 D167 | P163-I165 PolarHBondContact O-N 3.15Å; I165-D167 PolarHBondContact O-N 2.98Å | ||
| 166 | L | 43.6 | Very low | 45.4 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -63.2 | 87.8 | 169.3 | -161 | 79.5 | 0 | 0 | 0 | 107.6 | E164 V168 | E164-L166 PolarHBondContact O-N 2.77Å; L166-V168 PolarHBondContact O-N 3.04Å | ||
| 167 | D | 48.2 | Very low | 44.5 | Very low | 146 Ų | 146 | 137.6 Ų | 137.6 | 78% | 0.781 | 75% | 0.752 | S | S | * | * | trans | -74.3 | 97.1 | -179.6 | -141.8 | 11.7 | 0 | 0 | 0 | 108 | I165 P169 | I165-D167 PolarHBondContact O-N 2.98Å; D167-P169 WeakPolarHBondContact O-CD 3.39Å | ||
| 168 | V | 51.3 | Low | 43.5 | Very low | 99 Ų | 99 | 137.6 Ų | 137.6 | 60% | 0.6 | 76% | 0.756 | S | S | * | * | trans | -69.5 | 118.1 | 166.9 | 178.5 | 0 | 0 | 0 | 0 | 106.3 | L166 S170 | L166-V168 PolarHBondContact O-N 3.04Å; V168-S170 PolarHBondContact O-N 3.01Å | ||
| 169 | P | 39.3 | Very low | 42.5 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | trans | -67.8 | 100.5 | 176.9 | 26.5 | -30.6 | 0 | 0 | 0 | 108.6 | D167 T171 | D167-P169 WeakPolarHBondContact O-CD 3.39Å; P169-T171 VanDerWaalsContact C-N 3.34Å; P169-T171 PolarHBondContact O-N 3.08Å; P169-T171 VanDerWaalsContact O-N 3.09Å | ||
| 170 | S | 41.7 | Very low | 41.9 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | trans | -77 | 87.6 | 168.1 | -64.3 | 0 | 0 | 0 | 0 | 108.1 | V168 V172 | V168-S170 PolarHBondContact O-N 3.01Å; S170-V172 PolarHBondContact O-N 2.85Å | ||
| 171 | T | 40.5 | Very low | 41.6 | Very low | 127 Ų | 127 | 135.9 Ų | 135.9 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -74.1 | 82.1 | 164.4 | 53 | 0 | 0 | 0 | 0 | 108.9 | P169 Q173 | P169-T171 VanDerWaalsContact C-N 3.34Å; P169-T171 PolarHBondContact O-N 3.08Å; P169-T171 VanDerWaalsContact O-N 3.09Å; T171-Q173 VanDerWaalsContact C-N 3.34Å; T171-Q173 PolarHBondContact O-N 2.87Å | ||
| 172 | V | 43.1 | Very low | 40.9 | Very low | 131 Ų | 131 | 130.5 Ų | 130.5 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | -83.1 | 88.6 | 159.3 | 180 | 0 | 0 | 0 | 0 | 106.9 | S170 K174 | S170-V172 PolarHBondContact O-N 2.85Å; V172-K174 PolarHBondContact O-N 2.88Å | ||
| 173 | Q | 37.6 | Very low | 39.9 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -89.2 | 104.5 | 167.7 | -144.8 | 169.5 | -4.4 | 0 | 0 | 108.1 | T171 T175 | T171-Q173 VanDerWaalsContact C-N 3.34Å; T171-Q173 PolarHBondContact O-N 2.87Å; Q173-T175 PolarHBondContact O-N 2.86Å | ||
| 174 | K | 35.8 | Very low | 39.2 | Very low | 200 Ų | 200 | 133.1 Ų | 133.1 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | trans | -76.7 | 104.1 | 174.8 | -163.3 | 175.8 | -170.4 | 176.9 | 0 | 108 | V172 | V172-K174 PolarHBondContact O-N 2.88Š| ||
| 175 | T | 33.8 | Very low | 38.5 | Very low | 122 Ų | 122 | 130.7 Ų | 130.7 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -97.5 | 132.6 | 173.3 | -32.6 | 0 | 0 | 0 | 0 | 109.4 | Q173 | Q173-T175 PolarHBondContact O-N 2.86Š|
| 176 | P | 37.5 | Very low | 37.7 | Very low | 106 Ų | 106 | 128.8 Ų | 128.8 | 69% | 0.688 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 157.1 | -172.8 | 30 | -31.4 | 0 | 0 | 0 | 113.1 | ||
| 177 | F | 34 | Very low | 37.2 | Very low | 211 Ų | 211 | 129.4 Ų | 129.4 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -61 | 129 | 170.9 | -69.5 | -89.5 | 0 | 0 | 0 | 111.5 | ||
| 178 | I | 34.7 | Very low | 36.7 | Very low | 163 Ų | 163 | 127 Ų | 127 | 84% | 0.836 | 76% | 0.759 | S | S | * | * | trans | -136.6 | 140.1 | 155.7 | -61.3 | -176.6 | 0 | 0 | 0 | 109.1 | ||||
| 179 | T | 31.4 | Very low | 36.1 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 72% | 0.724 | 77% | 0.766 | S | S | * | * | trans | -84.5 | 153.4 | -163.1 | -31.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 180 | N | 30.9 | Very low | 35.9 | Very low | 144 Ų | 144 | 130 Ų | 130 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 84.1 | 160.4 | 144.8 | -106.8 | 25.8 | 0 | 0 | 0 | 120 | ||||
| 181 | P | 43.5 | Very low | 35.8 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | -132.1 | 174.6 | -63.7 | 34.9 | -16.5 | 0 | 0 | 0 | 112.2 | |||||
| 182 | G | 31 | Very low | 35.7 | Very low | 62 Ų | 62 | 133 Ų | 133 | 64% | 0.639 | 76% | 0.762 | S | S | * | * | trans | 114.7 | 110.1 | 144 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 183 | T | 32.7 | Very low | 35.6 | Very low | 154 Ų | 154 | 133.5 Ų | 133.5 | 95% | 0.945 | 76% | 0.759 | S | S | * | * | trans | 62.2 | 124.1 | 134.4 | 55.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 184 | G | 33.3 | Very low | 35.9 | Very low | 61 Ų | 61 | 133.3 Ų | 133.3 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | cis | 173.6 | 163.2 | 4.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 185 | S | 33.8 | Very low | 36.2 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | 56.6 | 133.9 | 148 | 52.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 186 | S | 33.2 | Very low | 36.4 | Very low | 90 Ų | 90 | 128 Ų | 128 | 63% | 0.629 | 76% | 0.756 | S | S | * | * | cis | 168.9 | 149.3 | 16 | 164.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 187 | L | 34.6 | Very low | 37.1 | Very low | 159 Ų | 159 | 128.8 Ų | 128.8 | 83% | 0.832 | 76% | 0.761 | S | S | * | * | trans | 67.8 | 148.1 | 154.3 | -66.4 | 159 | 0 | 0 | 0 | 117.6 | ||||
| 188 | S | 36.8 | Very low | 37.1 | Very low | 96 Ų | 96 | 121.5 Ų | 121.5 | 67% | 0.671 | 75% | 0.746 | S | S | * | * | cis | -176.1 | 129.7 | -1.6 | 36 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 189 | D | 38.1 | Very low | 37.5 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | 65.9 | 123.2 | 98.2 | -121.8 | 21 | 0 | 0 | 0 | 117 | |||||
| 190 | N | 35.1 | Very low | 38 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | 78.6 | 133.4 | 143.6 | -69.2 | -33.5 | 0 | 0 | 0 | 124.4 | ||||
| 191 | H | 41.4 | Very low | 38.4 | Very low | 163 Ų | 163 | 128.3 Ų | 128.3 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | 113.3 | 98 | 126 | -125.3 | 78.9 | 0 | 0 | 0 | 119.9 | |||||
| 192 | L | 38 | Very low | 38.1 | Very low | 129 Ų | 129 | 129.2 Ų | 129.2 | 68% | 0.675 | 77% | 0.767 | S | S | * | * | 23.5 | 130.7 | 115.7 | -150.4 | 72.2 | 0 | 0 | 0 | 121 | |||||
| 193 | L | 40.6 | Very low | 38.5 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | 50.9 | 126.1 | 149.3 | -68.2 | 165.5 | 0 | 0 | 0 | 120.2 | ||||
| 194 | D | 43.8 | Very low | 38.8 | Very low | 171 Ų | 171 | 131.6 Ų | 131.6 | 91% | 0.914 | 76% | 0.764 | S | S | * | * | -157.8 | 153.5 | 118.9 | -118.9 | -20.5 | 0 | 0 | 0 | 113 | |||||
| 195 | A | 41.7 | Very low | 39.2 | Very low | 75 Ų | 75 | 136.1 Ų | 136.1 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | trans | -114.7 | 157.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 196 | V | 38.6 | Very low | 39.5 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 82% | 0.824 | 77% | 0.766 | S | S | * | * | trans | 61.4 | 170.9 | 156.1 | -108 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 197 | P | 51.7 | Low | 40 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | cis | -136.9 | 177.1 | -20.7 | 27.8 | -6 | 0 | 0 | 0 | 115.1 | ||||
| 198 | G | 35.1 | Very low | 40.4 | Very low | 59 Ų | 59 | 138.8 Ų | 138.8 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | 125.1 | 124.2 | 126.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 199 | E | 41.6 | Very low | 40.7 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | trans | 64.5 | 128.8 | 144.3 | -42.7 | -64.4 | 111.9 | 0 | 0 | 118.3 | ||||
| 200 | F | 42.7 | Very low | 40.9 | Very low | 273 Ų | 273 | 142.4 Ų | 142.4 | 100% | 1.197 | 78% | 0.782 | S | S | * | * | cis | -143 | 0 | 33.5 | -74.5 | -95.7 | 0 | 0 | 0 | 112.3 |
Retrieved 200 of 200 residues in 365 ms
(Link to these results)