| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 76.4 | Confident | 86.5 | Confident | 151 Ų | 151 | 77.9 Ų | 77.9 | 74% | 0.744 | 44% | 0.442 | S | S | * | . | 0 | 127.7 | 0 | -176.2 | 178.8 | 176.2 | 0 | 0 | 108.8 | |||||
| 2 | P | 79.5 | Confident | 87 | Confident | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.006 | 45% | 0.45 | C | S | . | . | trans | -65.3 | 140.5 | 171.4 | -11 | 24.9 | 0 | 0 | 0 | 110.1 | E4 A5 W9 Y51 F53 | P2-E4 PolarHBondContact O-N 3.03Å; P2-A5 HydrophobicContact CB-CB 3.89Å; P2-A5 HydrophobicContact CG-CB 3.88Å; P2-A5 WeakPolarHBondContact O-CB 3.13Å; P2-A5 PolarHBondContact O-N 3.28Å; P2-W9 HydrophobicContact CG-CE3 4.31Å; P2-Y51 HydrophobicContact CB-CD1 3.55Å; P2-Y51 HydrophobicContact CB-CD2 4.37Å; P2-Y51 HydrophobicContact CB-CE1 3.56Å; P2-Y51 HydrophobicContact CB-CE2 4.38Å; P2-Y51 HydrophobicContact CB-CG 3.99Å; P2-Y51 HydrophobicContact CG-CD1 3.83Å; P2-Y51 HydrophobicContact CG-CD2 3.84Å; P2-Y51 HydrophobicContact CG-CE1 4.12Å; P2-Y51 HydrophobicContact CG-CE2 4.13Å; P2-Y51 HydrophobicContact CG-CG 3.7Å; P2-F53 HydrophobicContact CG-CZ 4.22Å | ||
| 3 | P | 79 | Confident | 87.6 | Confident | 137 Ų | 137 | 74 Ų | 74 | 89% | 0.89 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.7 | -171.7 | 24.4 | -33.8 | 0 | 0 | 0 | 114.1 | ||
| 4 | E | 84.4 | Confident | 88.2 | Confident | 127 Ų | 127 | 77 Ų | 77 | 59% | 0.593 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | 28.7 | -177.8 | -156.7 | -170 | 155.6 | 0 | 0 | 111.5 | P2 Y51 R93 | P2-E4 PolarHBondContact O-N 3.03Å; E4-Y51 PolarHBondContact O-OH 2.96Å; E4-R93 IonicContact OE1-CZ 2.69Å; E4-R93 IonicContact OE1-NH1 3.42Å; E4-R93 PolarHBondContact OE1-NH1 3.2Å; E4-R93 IonicContact OE1-NH2 3.37Å; E4-R93 PolarHBondContact OE1-NH2 3.29Å; E4-R93 IonicContact OE2-CZ 3.22Å; E4-R93 IonicContact OE2-NE 3.56Å; E4-R93 IonicContact OE2-NH1 3.37Å; E4-R93 IonicContact OE2-NH2 4Å; E4-R93 PolarHBondContact OE2-NH2 3.29Å |
| 5 | A | 84.9 | Confident | 88.7 | Confident | 17 Ų | 17 | 71.9 Ų | 71.9 | 14% | 0.14 | 39% | 0.391 | C | S | . | . | trans | -82.9 | 135.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P2 W9 Y51 | P2-A5 HydrophobicContact CB-CB 3.89Å; P2-A5 HydrophobicContact CG-CB 3.88Å; P2-A5 WeakPolarHBondContact O-CB 3.13Å; P2-A5 PolarHBondContact O-N 3.28Å; A5-W9 HydrophobicContact CB-CB 3.9Å; A5-W9 HydrophobicContact CB-CD2 4.46Å; A5-W9 HydrophobicContact CB-CG 3.78Å; A5-Y51 VanDerWaalsContact CA-OH 3.25Å; A5-Y51 WeakPolarHBondContact CA-OH 3.41Å; A5-Y51 HydrophobicContact CB-CE2 4.09Å | ||
| 6 | P | 89.2 | Confident | 89.2 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | trans | -66.4 | 157.3 | 167.6 | 33.5 | -37 | 0 | 0 | 0 | 109.8 | D8 W9 | P6-D8 VanDerWaalsContact CB-OD1 3.25Å; P6-D8 WeakPolarHBondContact CB-OD1 3.39Å; P6-D8 WeakPolarHBondContact CG-OD1 3.46Å; P6-D8 PolarHBondContact O-N 3.13Å; P6-D8 VanDerWaalsContact O-N 3.13Å; P6-W9 HydrophobicContact CG-CB 4.44Å; P6-W9 WeakPolarHBondContact O-CB 3.47Å; P6-W9 PolarHBondContact O-N 3.34Å; P6-W9 VanDerWaalsContact O-N 3.08Å | ||
| 7 | P | 88.5 | Confident | 89.6 | Confident | 117 Ų | 117 | 64.4 Ų | 64.4 | 76% | 0.76 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -26 | -173.6 | 23.4 | -33.8 | 0 | 0 | 0 | 113.9 | H10 | P7-H10 PolarHBondContact O-CE1 3.05Å; P7-H10 VanDerWaalsContact O-CE1 3.28Å; P7-H10 PolarHBondContact O-ND1 2.63Å |
| 8 | D | 91.1 | Very high | 89.7 | Confident | 84 Ų | 84 | 62.4 Ų | 62.4 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 5.3 | 180 | 65.9 | -29.8 | 0 | 0 | 0 | 114 | P6 H10 V11 | P6-D8 VanDerWaalsContact CB-OD1 3.25Å; P6-D8 WeakPolarHBondContact CB-OD1 3.39Å; P6-D8 WeakPolarHBondContact CG-OD1 3.46Å; P6-D8 PolarHBondContact O-N 3.13Å; P6-D8 VanDerWaalsContact O-N 3.13Å; D8-H10 PolarHBondContact O-N 2.89Å; D8-V11 HydrophobicContact CB-CG2 4.33Å; D8-V11 WeakPolarHBondContact O-CB 3.12Å; D8-V11 WeakPolarHBondContact O-CG2 3.31Å; D8-V11 PolarHBondContact O-N 2.91Å |
| 9 | W | 91.5 | Very high | 89.7 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 8% | 0.076 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -53.1 | -31.7 | -177.6 | 76.2 | -82.2 | 0 | 0 | 0 | 113.9 | P2 A5 P6 V11 N12 T13 V26 N48 Y51 F53 | P2-W9 HydrophobicContact CG-CE3 4.31Å; A5-W9 HydrophobicContact CB-CB 3.9Å; A5-W9 HydrophobicContact CB-CD2 4.46Å; A5-W9 HydrophobicContact CB-CG 3.78Å; P6-W9 HydrophobicContact CG-CB 4.44Å; P6-W9 WeakPolarHBondContact O-CB 3.47Å; P6-W9 PolarHBondContact O-N 3.34Å; P6-W9 VanDerWaalsContact O-N 3.08Å; W9-V11 VanDerWaalsContact C-N 3.29Å; W9-V11 PolarHBondContact O-N 3.11Å; W9-N12 PolarHBondContact O-N 2.98Å; W9-T13 HydrophobicContact CZ3-CG2 4.06Å; W9-T13 PolarHBondContact O-OG1 3.43Å; W9-V26 HydrophobicContact CH2-CG1 3.98Å; W9-V26 HydrophobicContact CZ2-CG1 4.32Å; W9-N48 PolarHBondContact O-ND2 3.31Å; W9-Y51 HydrophobicContact CB-CE2 4.48Å; W9-F53 HydrophobicContact CZ3-CZ 4.01Å |
| 10 | H | 92.8 | Very high | 89.8 | Confident | 41 Ų | 41 | 63.3 Ų | 63.3 | 19% | 0.19 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -65.9 | -28.5 | -179.7 | 64.4 | -83.5 | 0 | 0 | 0 | 112.6 | P7 D8 N12 T13 V26 | P7-H10 PolarHBondContact O-CE1 3.05Å; P7-H10 VanDerWaalsContact O-CE1 3.28Å; P7-H10 PolarHBondContact O-ND1 2.63Å; D8-H10 PolarHBondContact O-N 2.89Å; H10-N12 VanDerWaalsContact C-N 3.28Å; H10-N12 PolarHBondContact O-N 2.91Å; H10-T13 WeakPolarHBondContact O-CB 3.21Å; H10-T13 PolarHBondContact O-N 2.85Å; H10-V26 HydrophobicContact CB-CB 4.3Å; H10-V26 HydrophobicContact CB-CG1 4.14Å |
| 11 | V | 93.8 | Very high | 90 | Very high | 101 Ų | 101 | 67 Ų | 67 | 61% | 0.612 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -61.9 | -37.6 | -179.9 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | D8 W9 T13 | D8-V11 HydrophobicContact CB-CG2 4.33Å; D8-V11 WeakPolarHBondContact O-CB 3.12Å; D8-V11 WeakPolarHBondContact O-CG2 3.31Å; D8-V11 PolarHBondContact O-N 2.91Å; W9-V11 VanDerWaalsContact C-N 3.29Å; W9-V11 PolarHBondContact O-N 3.11Å; V11-T13 VanDerWaalsContact C-N 3.3Å |
| 12 | N | 93.1 | Very high | 90.9 | Very high | 102 Ų | 102 | 62.1 Ų | 62.1 | 55% | 0.545 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -93.9 | 14.5 | 179.3 | -64.2 | -33.7 | 0 | 0 | 0 | 112.7 | W9 H10 P49 | W9-N12 PolarHBondContact O-N 2.98Å; H10-N12 VanDerWaalsContact C-N 3.28Å; H10-N12 PolarHBondContact O-N 2.91Å; N12-P49 HydrophobicContact CB-CG 4.04Å; N12-P49 WeakPolarHBondContact O-CD 3.26Å |
| 13 | T | 95 | Very high | 91.7 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 2% | 0.018 | 37% | 0.37 | C | S | . | . | trans | -113.3 | 124.5 | -178.1 | -52.5 | 0 | 0 | 0 | 0 | 110.8 | W9 H10 V11 V26 V46 I47 N48 | W9-T13 HydrophobicContact CZ3-CG2 4.06Å; W9-T13 PolarHBondContact O-OG1 3.43Å; H10-T13 WeakPolarHBondContact O-CB 3.21Å; H10-T13 PolarHBondContact O-N 2.85Å; V11-T13 VanDerWaalsContact C-N 3.3Å; T13-V26 HydrophobicContact CG2-CB 4.46Å; T13-V26 HydrophobicContact CG2-CG2 3.62Å; T13-V46 HydrophobicContact CG2-CG1 3.34Å; T13-I47 WeakPolarHBondContact CA-O 3.21Å; T13-N48 HydrophobicContact CG2-CB 4.41Å; T13-N48 PolarHBondContact OG1-ND2 3.06Å | ||
| 14 | R | 95.3 | Very high | 92.5 | Very high | 116 Ų | 116 | 59 Ų | 59 | 44% | 0.438 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 151.4 | 172.4 | 64.7 | -178.7 | -171.8 | -140.2 | 7.3 | 110.7 | N16 V23 I47 | R14-N16 WeakPolarHBondContact CD-OD1 3.34Å; R14-N16 WeakPolarHBondContact CG-OD1 3.13Å; R14-N16 PolarHBondContact NE-ND2 3.47Å; R14-V23 HydrophobicContact CB-CG1 4.47Å; R14-I47 HydrophobicContact CG-CB 3.79Å; R14-I47 HydrophobicContact CG-CG1 4.43Å; R14-I47 HydrophobicContact CG-CG2 4.41Å; R14-I47 PolarHBondContact N-O 3.31Å; R14-I47 PolarHBondContact O-N 2.94Å |
| 15 | I | 96.4 | Very high | 93 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.3 | 174.2 | -63.2 | 127.8 | 0 | 0 | 0 | 107.8 | I17 V23 G24 V26 F32 V34 V44 E45 V46 | I15-I17 HydrophobicContact CG2-CG1 4.25Å; I15-V23 CarbonylContact O-C 3.57Å; I15-V23 WeakPolarHBondContact O-CA 3.47Å; I15-G24 PolarHBondContact N-O 2.87Å; I15-G24 PolarHBondContact O-N 3.5Å; I15-V26 HydrophobicContact CD1-CG2 3.61Å; I15-V26 HydrophobicContact CG1-CG2 4.16Å; I15-F32 HydrophobicContact CD1-CB 3.15Å; I15-F32 HydrophobicContact CD1-CD1 4.15Å; I15-F32 HydrophobicContact CD1-CD2 3.46Å; I15-F32 VanDerWaalsContact CD1-CD2 3.46Å; I15-F32 HydrophobicContact CD1-CE2 4.35Å; I15-F32 HydrophobicContact CD1-CG 3.33Å; I15-F32 HydrophobicContact CG1-CB 4.41Å; I15-F32 HydrophobicContact CG1-CD2 4.09Å; I15-F32 HydrophobicContact CG1-CG 4.17Å; I15-F32 HydrophobicContact CG2-CD2 4.42Å; I15-F32 HydrophobicContact CG2-CE2 4.36Å; I15-V34 HydrophobicContact CG2-CG2 4.18Å; I15-V44 HydrophobicContact CG2-CG1 3.68Å; I15-E45 CarbonylContact C-O 3.56Å; I15-E45 WeakPolarHBondContact CA-O 3.21Å; I15-V46 HydrophobicContact CG1-CG2 4.21Å |
| 16 | N | 96.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.8 | 180 | -69.3 | 6.8 | 0 | 0 | 0 | 108.2 | R14 D20 E45 I47 | R14-N16 WeakPolarHBondContact CD-OD1 3.34Å; R14-N16 WeakPolarHBondContact CG-OD1 3.13Å; R14-N16 PolarHBondContact NE-ND2 3.47Å; N16-D20 VanDerWaalsContact CB-OD1 3.3Å; N16-D20 WeakPolarHBondContact CB-OD1 3.43Å; N16-D20 PolarHBondContact ND2-OD1 3.25Å; N16-D20 PolarHBondContact ND2-OD2 2.78Å; N16-E45 PolarHBondContact N-O 2.87Å; N16-E45 PolarHBondContact O-N 3.21Å; N16-I47 HydrophobicContact CB-CG1 4.16Å; N16-I47 WeakPolarHBondContact ND2-CG1 3.38Å |
| 17 | I | 96.4 | Very high | 93.7 | Very high | 12 Ų | 12 | 62.7 Ų | 62.7 | 6% | 0.062 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.7 | 176.6 | -51.2 | -173.3 | 0 | 0 | 0 | 108.3 | I15 G19 D20 Q21 F22 V34 V37 Y42 I43 V44 | I15-I17 HydrophobicContact CG2-CG1 4.25Å; I17-G19 VanDerWaalsContact C-N 3.33Å; I17-G19 PolarHBondContact O-N 2.89Å; I17-D20 PolarHBondContact O-N 2.96Å; I17-Q21 PolarHBondContact O-N 2.94Å; I17-F22 HydrophobicContact CB-CB 4.1Å; I17-F22 HydrophobicContact CB-CD2 4.49Å; I17-F22 HydrophobicContact CG2-CD2 4.4Å; I17-F22 PolarHBondContact N-O 2.87Å; I17-F22 PolarHBondContact O-N 2.97Å; I17-V34 HydrophobicContact CD1-CB 3.78Å; I17-V34 HydrophobicContact CD1-CG1 3.73Å; I17-V34 HydrophobicContact CD1-CG2 3.82Å; I17-V37 HydrophobicContact CD1-CG2 4.23Å; I17-Y42 HydrophobicContact CG2-CD1 4.37Å; I17-Y42 HydrophobicContact CG2-CG 3.95Å; I17-I43 WeakPolarHBondContact CA-O 3.38Å; I17-V44 HydrophobicContact CD1-CG2 4.27Å; I17-V44 HydrophobicContact CG1-CG1 4.39Å; I17-V44 HydrophobicContact CG1-CG2 4.16Å; I17-V44 HydrophobicContact CG2-CG2 4.39Å |
| 18 | A | 91.9 | Very high | 93.8 | Very high | 29 Ų | 29 | 60.8 Ų | 60.8 | 24% | 0.24 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 35.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q21 Y42 I43 | A18-Q21 HydrophobicContact CB-CB 4.26Å; A18-Q21 HydrophobicContact CB-CG 4.32Å; A18-Y42 HydrophobicContact CB-CD1 3.67Å; A18-Y42 HydrophobicContact CB-CE1 4.26Å; A18-I43 PolarHBondContact N-O 3.33Å; A18-I43 VanDerWaalsContact N-O 3.09Å |
| 19 | G | 89.1 | Confident | 93.8 | Very high | 60 Ų | 60 | 61.8 Ų | 61.8 | 62% | 0.619 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.8 | 50.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I17 Q21 | I17-G19 VanDerWaalsContact C-N 3.33Å; I17-G19 PolarHBondContact O-N 2.89Å; G19-Q21 PolarHBondContact O-N 3.39Å |
| 20 | D | 91.1 | Very high | 93.8 | Very high | 82 Ų | 82 | 62 Ų | 62 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 13 | 172.4 | -56.6 | 22.1 | 0 | 0 | 0 | 115.2 | N16 I17 | N16-D20 VanDerWaalsContact CB-OD1 3.3Å; N16-D20 WeakPolarHBondContact CB-OD1 3.43Å; N16-D20 PolarHBondContact ND2-OD1 3.25Å; N16-D20 PolarHBondContact ND2-OD2 2.78Å; I17-D20 PolarHBondContact O-N 2.96Å |
| 21 | Q | 94.2 | Very high | 93.8 | Very high | 142 Ų | 142 | 64.8 Ų | 64.8 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -39.4 | 172.8 | -66 | -178.7 | 19.3 | 0 | 0 | 112.1 | I17 A18 G19 | I17-Q21 PolarHBondContact O-N 2.94Å; A18-Q21 HydrophobicContact CB-CB 4.26Å; A18-Q21 HydrophobicContact CB-CG 4.32Å; G19-Q21 PolarHBondContact O-N 3.39Å |
| 22 | F | 95.9 | Very high | 93.9 | Very high | 48 Ų | 48 | 63 Ų | 63 | 21% | 0.211 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 130.8 | 170.7 | -47.3 | -91.9 | 0 | 0 | 0 | 108.5 | I17 V34 N36 V37 P38 Y42 | I17-F22 HydrophobicContact CB-CB 4.1Å; I17-F22 HydrophobicContact CB-CD2 4.49Å; I17-F22 HydrophobicContact CG2-CD2 4.4Å; I17-F22 PolarHBondContact N-O 2.87Å; I17-F22 PolarHBondContact O-N 2.97Å; F22-V34 HydrophobicContact CB-CG1 4.08Å; F22-N36 WeakPolarHBondContact CE1-O 3.32Å; F22-V37 HydrophobicContact CB-CG2 4.35Å; F22-V37 HydrophobicContact CD1-CG2 4.29Å; F22-V37 HydrophobicContact CD2-CG1 4.46Å; F22-V37 HydrophobicContact CE2-CG1 4.48Å; F22-V37 HydrophobicContact CG-CG2 4.16Å; F22-P38 HydrophobicContact CZ-CG 4.19Å; F22-Y42 HydrophobicContact CE2-CE1 4.49Å |
| 23 | V | 95.7 | Very high | 93.9 | Very high | 68 Ų | 68 | 64.4 Ų | 64.4 | 41% | 0.412 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 129.2 | -177.9 | -177 | 0 | 0 | 0 | 0 | 108.7 | R14 I15 F25 | R14-V23 HydrophobicContact CB-CG1 4.47Å; I15-V23 CarbonylContact O-C 3.57Å; I15-V23 WeakPolarHBondContact O-CA 3.47Å; V23-F25 HydrophobicContact CG1-CZ 4.36Å |
| 24 | G | 95.4 | Very high | 93.9 | Very high | 4 Ų | 4 | 65.9 Ų | 65.9 | 4% | 0.041 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 161.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I15 | I15-G24 PolarHBondContact N-O 2.87Å; I15-G24 PolarHBondContact O-N 3.5Å |
| 25 | F | 95.4 | Very high | 93.9 | Very high | 153 Ų | 153 | 64.4 Ų | 64.4 | 67% | 0.671 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 149 | 176.1 | -61.5 | -80.6 | 0 | 0 | 0 | 110.5 | V23 | V23-F25 HydrophobicContact CG1-CZ 4.36Å |
| 26 | V | 94.7 | Very high | 93.7 | Very high | 14 Ų | 14 | 71.2 Ų | 71.2 | 9% | 0.085 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 130.6 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 108.9 | W9 H10 T13 I15 F32 | W9-V26 HydrophobicContact CH2-CG1 3.98Å; W9-V26 HydrophobicContact CZ2-CG1 4.32Å; H10-V26 HydrophobicContact CB-CB 4.3Å; H10-V26 HydrophobicContact CB-CG1 4.14Å; T13-V26 HydrophobicContact CG2-CB 4.46Å; T13-V26 HydrophobicContact CG2-CG2 3.62Å; I15-V26 HydrophobicContact CD1-CG2 3.61Å; I15-V26 HydrophobicContact CG1-CG2 4.16Å; V26-F32 HydrophobicContact CG2-CB 4.42Å |
| 27 | K | 93.8 | Very high | 93.6 | Very high | 117 Ų | 117 | 72.6 Ų | 72.6 | 51% | 0.509 | 41% | 0.406 | S | S | . | . | trans | -76.2 | 165.2 | 174.6 | -68.5 | 176.9 | -174.8 | 176.2 | 0 | 110.7 | D29 G30 N31 | K27-D29 WeakPolarHBondContact CB-OD1 3.48Å; K27-D29 PolarHBondContact O-N 2.75Å; K27-G30 WeakPolarHBondContact O-CA 3.37Å; K27-G30 PolarHBondContact O-N 2.56Å; K27-N31 WeakPolarHBondContact CB-O 3.29Å; K27-N31 PolarHBondContact N-O 3.28Å | ||
| 28 | A | 91.4 | Very high | 93.6 | Very high | 76 Ų | 76 | 75.4 Ų | 75.4 | 63% | 0.628 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -25.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | G30 | A28-G30 PolarHBondContact O-N 2.67Š|
| 29 | D | 90.9 | Very high | 93.8 | Very high | 105 Ų | 105 | 77.3 Ų | 77.3 | 56% | 0.561 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -6 | 173.8 | 63.5 | -7.3 | 0 | 0 | 0 | 113.4 | K27 N31 | K27-D29 WeakPolarHBondContact CB-OD1 3.48Å; K27-D29 PolarHBondContact O-N 2.75Å; D29-N31 VanDerWaalsContact C-N 3.31Å; D29-N31 WeakPolarHBondContact OD1-CB 3.41Å; D29-N31 PolarHBondContact OD1-N 3.31Å; D29-N31 PolarHBondContact OD2-ND2 2.78Å |
| 30 | G | 91.4 | Very high | 94.1 | Very high | 25 Ų | 25 | 75.6 Ų | 75.6 | 26% | 0.258 | 42% | 0.419 | S | S | . | . | S | Bend | trans | 83.7 | 1.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | K27 A28 | K27-G30 WeakPolarHBondContact O-CA 3.37Å; K27-G30 PolarHBondContact O-N 2.56Å; A28-G30 PolarHBondContact O-N 2.67Å |
| 31 | N | 93.8 | Very high | 94.3 | Very high | 99 Ų | 99 | 75 Ų | 75 | 53% | 0.529 | 42% | 0.421 | S | S | . | . | trans | -79.2 | 156.1 | 173.8 | -69.9 | -33.2 | 0 | 0 | 0 | 110.7 | K27 D29 | K27-N31 WeakPolarHBondContact CB-O 3.29Å; K27-N31 PolarHBondContact N-O 3.28Å; D29-N31 VanDerWaalsContact C-N 3.31Å; D29-N31 WeakPolarHBondContact OD1-CB 3.41Å; D29-N31 PolarHBondContact OD1-N 3.31Å; D29-N31 PolarHBondContact OD2-ND2 2.78Å | ||
| 32 | F | 94.5 | Very high | 94.4 | Very high | 63 Ų | 63 | 70.1 Ų | 70.1 | 28% | 0.276 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 154.7 | 175.3 | 70.6 | -89.9 | 0 | 0 | 0 | 111.8 | I15 V26 V34 L86 L88 | I15-F32 HydrophobicContact CD1-CB 3.15Å; I15-F32 HydrophobicContact CD1-CD1 4.15Å; I15-F32 HydrophobicContact CD1-CD2 3.46Å; I15-F32 VanDerWaalsContact CD1-CD2 3.46Å; I15-F32 HydrophobicContact CD1-CE2 4.35Å; I15-F32 HydrophobicContact CD1-CG 3.33Å; I15-F32 HydrophobicContact CG1-CB 4.41Å; I15-F32 HydrophobicContact CG1-CD2 4.09Å; I15-F32 HydrophobicContact CG1-CG 4.17Å; I15-F32 HydrophobicContact CG2-CD2 4.42Å; I15-F32 HydrophobicContact CG2-CE2 4.36Å; V26-F32 HydrophobicContact CG2-CB 4.42Å; F32-V34 HydrophobicContact CD2-CG2 4.48Å; F32-L86 HydrophobicContact CZ-CB 4.09Å; F32-L86 HydrophobicContact CZ-CD1 4.15Å; F32-L88 HydrophobicContact CE1-CD1 4.39Å; F32-L88 HydrophobicContact CZ-CD1 4.27Å |
| 33 | E | 94.7 | Very high | 94.3 | Very high | 132 Ų | 132 | 71.1 Ų | 71.1 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 135.9 | 178.8 | -173.9 | 175.1 | -179 | 0 | 0 | 108.3 | T35 | E33-T35 HydrophobicContact CG-CG2 4.24Å |
| 34 | V | 95 | Very high | 94.3 | Very high | 35 Ų | 35 | 68.2 Ų | 68.2 | 21% | 0.212 | 39% | 0.386 | C | S | . | . | trans | -125.6 | 114.6 | 174.3 | -168 | 0 | 0 | 0 | 0 | 107.4 | I15 I17 F22 F32 V37 | I15-V34 HydrophobicContact CG2-CG2 4.18Å; I17-V34 HydrophobicContact CD1-CB 3.78Å; I17-V34 HydrophobicContact CD1-CG1 3.73Å; I17-V34 HydrophobicContact CD1-CG2 3.82Å; F22-V34 HydrophobicContact CB-CG1 4.08Å; F32-V34 HydrophobicContact CD2-CG2 4.48Å; V34-V37 HydrophobicContact CB-CG2 4.4Å; V34-V37 HydrophobicContact CG1-CG2 3.91Å | ||
| 35 | T | 93.5 | Very high | 94.3 | Very high | 84 Ų | 84 | 71.7 Ų | 71.7 | 52% | 0.515 | 40% | 0.401 | S | S | . | . | trans | -93.1 | 168.1 | -177.7 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | E33 V37 | E33-T35 HydrophobicContact CG-CG2 4.24Å; T35-V37 VanDerWaalsContact C-N 3.26Å; T35-V37 PolarHBondContact O-N 3.12Å | ||
| 36 | N | 93 | Very high | 94.3 | Very high | 143 Ų | 143 | 65.1 Ų | 65.1 | 77% | 0.765 | 37% | 0.373 | S | S | * | . | trans | 62.1 | 26.7 | 172.7 | -58.4 | 72.8 | 0 | 0 | 0 | 115.1 | F22 P38 | F22-N36 WeakPolarHBondContact CE1-O 3.32Å; N36-P38 WeakPolarHBondContact O-CD 3.41Å | ||
| 37 | V | 95 | Very high | 94.3 | Very high | 34 Ų | 34 | 67.3 Ų | 67.3 | 21% | 0.206 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 118.7 | 173.6 | -172.5 | 0 | 0 | 0 | 0 | 109.6 | I17 F22 V34 T35 Y42 I60 | I17-V37 HydrophobicContact CD1-CG2 4.23Å; F22-V37 HydrophobicContact CB-CG2 4.35Å; F22-V37 HydrophobicContact CD1-CG2 4.29Å; F22-V37 HydrophobicContact CD2-CG1 4.46Å; F22-V37 HydrophobicContact CE2-CG1 4.48Å; F22-V37 HydrophobicContact CG-CG2 4.16Å; V34-V37 HydrophobicContact CB-CG2 4.4Å; V34-V37 HydrophobicContact CG1-CG2 3.91Å; T35-V37 VanDerWaalsContact C-N 3.26Å; T35-V37 PolarHBondContact O-N 3.12Å; V37-Y42 HydrophobicContact CG1-CD2 3.87Å; V37-Y42 HydrophobicContact CG1-CE2 3.59Å; V37-I60 HydrophobicContact CB-CD1 4.28Å; V37-I60 HydrophobicContact CG1-CD1 3.77Å |
| 38 | P | 95.8 | Very high | 94.3 | Very high | 71 Ų | 71 | 62.3 Ų | 62.3 | 46% | 0.461 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 170.8 | 177.2 | -22.2 | 34.5 | 0 | 0 | 0 | 113.1 | F22 N36 G40 Y42 | F22-P38 HydrophobicContact CZ-CG 4.19Å; N36-P38 WeakPolarHBondContact O-CD 3.41Å; P38-G40 PolarHBondContact O-N 2.89Å; P38-Y42 VanDerWaalsContact O-CE2 3.32Å; P38-Y42 WeakPolarHBondContact O-CE2 3.41Å; P38-Y42 PolarHBondContact O-OH 3.42Å |
| 39 | S | 96.2 | Very high | 94.4 | Very high | 69 Ų | 69 | 62 Ų | 62 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -67.9 | 130 | 170.3 | 59.7 | 0 | 0 | 0 | 0 | 110.7 | I60 | S39-I60 CarbonylContact C-O 3.55Å; S39-I60 WeakPolarHBondContact CA-O 3.39Å; S39-I60 WeakPolarHBondContact CB-O 3.27Å |
| 40 | G | 95.6 | Very high | 94.5 | Very high | 24 Ų | 24 | 60.2 Ų | 60.2 | 25% | 0.247 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.4 | 179.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P38 I60 | P38-G40 PolarHBondContact O-N 2.89Å; G40-I60 PolarHBondContact N-O 2.56Å; G40-I60 PolarHBondContact O-N 3.09Å |
| 41 | S | 94.4 | Very high | 94.6 | Very high | 69 Ų | 69 | 59.7 Ų | 59.7 | 48% | 0.483 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.6 | 171.3 | -74.3 | 0 | 0 | 0 | 0 | 109 | D59 | S41-D59 WeakPolarHBondContact CB-OD1 3.1Å; S41-D59 PolarHBondContact OG-OD1 2.97Å |
| 42 | Y | 95.6 | Very high | 94.6 | Very high | 39 Ų | 39 | 60.9 Ų | 60.9 | 15% | 0.153 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 156.1 | -176.3 | -56.1 | -71.1 | 0 | 0 | 0 | 111.7 | I17 A18 F22 V37 P38 R57 V58 I60 | I17-Y42 HydrophobicContact CG2-CD1 4.37Å; I17-Y42 HydrophobicContact CG2-CG 3.95Å; A18-Y42 HydrophobicContact CB-CD1 3.67Å; A18-Y42 HydrophobicContact CB-CE1 4.26Å; F22-Y42 HydrophobicContact CE2-CE1 4.49Å; V37-Y42 HydrophobicContact CG1-CD2 3.87Å; V37-Y42 HydrophobicContact CG1-CE2 3.59Å; P38-Y42 VanDerWaalsContact O-CE2 3.32Å; P38-Y42 WeakPolarHBondContact O-CE2 3.41Å; P38-Y42 PolarHBondContact O-OH 3.42Å; Y42-R57 CarbonylContact O-C 3.57Å; Y42-R57 WeakPolarHBondContact O-CA 3.17Å; Y42-V58 PolarHBondContact N-O 3.04Å; Y42-V58 PolarHBondContact O-N 2.91Å; Y42-I60 HydrophobicContact CD2-CD1 4.2Å; Y42-I60 HydrophobicContact CE2-CD1 4.32Å |
| 43 | I | 94.7 | Very high | 94.5 | Very high | 70 Ų | 70 | 58.6 Ų | 58.6 | 36% | 0.359 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 125.1 | 167.3 | -57.2 | 175 | 0 | 0 | 0 | 106.4 | I17 A18 E45 L71 | I17-I43 WeakPolarHBondContact CA-O 3.38Å; A18-I43 PolarHBondContact N-O 3.33Å; A18-I43 VanDerWaalsContact N-O 3.09Å; I43-E45 HydrophobicContact CG2-CG 3.85Å; I43-L71 HydrophobicContact CD1-CD1 4Å; I43-L71 HydrophobicContact CG1-CD1 4.29Å; I43-L71 HydrophobicContact CG2-CD2 3.87Å |
| 44 | V | 95.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 55.5 Ų | 55.5 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121.8 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | I15 I17 G55 V56 V58 L86 | I15-V44 HydrophobicContact CG2-CG1 3.68Å; I17-V44 HydrophobicContact CD1-CG2 4.27Å; I17-V44 HydrophobicContact CG1-CG1 4.39Å; I17-V44 HydrophobicContact CG1-CG2 4.16Å; I17-V44 HydrophobicContact CG2-CG2 4.39Å; V44-G55 WeakPolarHBondContact O-CA 3.25Å; V44-V56 PolarHBondContact N-O 2.99Å; V44-V56 PolarHBondContact O-N 3.4Å; V44-V58 HydrophobicContact CB-CG2 4.38Å; V44-V58 HydrophobicContact CG2-CB 4.16Å; V44-V58 HydrophobicContact CG2-CG2 3.61Å; V44-L86 HydrophobicContact CG1-CD1 4.46Å |
| 45 | E | 95 | Very high | 94.3 | Very high | 76 Ų | 76 | 54.1 Ų | 54.1 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 140 | -178.9 | -58 | -172.8 | 136.8 | 0 | 0 | 109.6 | I15 N16 I43 I47 | I15-E45 CarbonylContact C-O 3.56Å; I15-E45 WeakPolarHBondContact CA-O 3.21Å; N16-E45 PolarHBondContact N-O 2.87Å; N16-E45 PolarHBondContact O-N 3.21Å; I43-E45 HydrophobicContact CG2-CG 3.85Å; E45-I47 HydrophobicContact CB-CD1 4.13Å |
| 46 | V | 95.4 | Very high | 94.3 | Very high | 15 Ų | 15 | 50.3 Ų | 50.3 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 113 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | T13 I15 F53 L88 | T13-V46 HydrophobicContact CG2-CG1 3.34Å; I15-V46 HydrophobicContact CG1-CG2 4.21Å; V46-F53 HydrophobicContact CB-CB 3.82Å; V46-F53 HydrophobicContact CB-CD1 4.34Å; V46-F53 HydrophobicContact CB-CD2 3.9Å; V46-F53 HydrophobicContact CB-CG 3.77Å; V46-F53 HydrophobicContact CG1-CB 4.46Å; V46-F53 HydrophobicContact CG1-CD1 4.33Å; V46-F53 HydrophobicContact CG1-CD2 3.59Å; V46-F53 HydrophobicContact CG1-CE1 4.5Å; V46-F53 HydrophobicContact CG1-CE2 3.79Å; V46-F53 HydrophobicContact CG1-CG 3.89Å; V46-F53 HydrophobicContact CG1-CZ 4.24Å; V46-L88 HydrophobicContact CG2-CD1 3.44Å; V46-L88 VanDerWaalsContact CG2-CD1 3.44Å |
| 47 | I | 94.9 | Very high | 94.4 | Very high | 61 Ų | 61 | 49 Ų | 49 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119.8 | -178 | -52.9 | -54.6 | 0 | 0 | 0 | 108.5 | T13 R14 N16 E45 | T13-I47 WeakPolarHBondContact CA-O 3.21Å; R14-I47 HydrophobicContact CG-CB 3.79Å; R14-I47 HydrophobicContact CG-CG1 4.43Å; R14-I47 HydrophobicContact CG-CG2 4.41Å; R14-I47 PolarHBondContact N-O 3.31Å; R14-I47 PolarHBondContact O-N 2.94Å; N16-I47 HydrophobicContact CB-CG1 4.16Å; N16-I47 WeakPolarHBondContact ND2-CG1 3.38Å; E45-I47 HydrophobicContact CB-CD1 4.13Å |
| 48 | N | 94.2 | Very high | 94.4 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.059 | 26% | 0.258 | C | S | . | . | trans | -141.2 | 139.8 | 174.4 | -178.6 | -69.3 | 0 | 0 | 0 | 108.9 | W9 T13 V50 Y51 F53 | W9-N48 PolarHBondContact O-ND2 3.31Å; T13-N48 HydrophobicContact CG2-CB 4.41Å; T13-N48 PolarHBondContact OG1-ND2 3.06Å; N48-V50 VanDerWaalsContact C-N 3.27Å; N48-V50 PolarHBondContact O-N 3.02Å; N48-V50 WeakPolarHBondContact OD1-CA 3.32Å; N48-V50 PolarHBondContact OD1-N 3.47Å; N48-Y51 PolarHBondContact OD1-N 3.3Å; N48-F53 HydrophobicContact CB-CD2 4.49Å; N48-F53 HydrophobicContact CB-CE2 4.08Å | ||
| 49 | P | 93.7 | Very high | 94.3 | Very high | 71 Ų | 71 | 45.7 Ų | 45.7 | 46% | 0.461 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -76.8 | -7.4 | -177.5 | 30.5 | -36.1 | 0 | 0 | 0 | 114.5 | N12 Y96 | N12-P49 HydrophobicContact CB-CG 4.04Å; N12-P49 WeakPolarHBondContact O-CD 3.26Å; P49-Y96 WeakPolarHBondContact O-CE2 3.29Å; P49-Y96 PolarHBondContact O-OH 3.44Å; P49-Y96 VanDerWaalsContact O-OH 3.13Å |
| 50 | V | 93.2 | Very high | 94.3 | Very high | 66 Ų | 66 | 44.2 Ų | 44.2 | 40% | 0.4 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -120 | -36.7 | -176.7 | -179.5 | 0 | 0 | 0 | 0 | 111.3 | N48 R93 A94 | N48-V50 VanDerWaalsContact C-N 3.27Å; N48-V50 PolarHBondContact O-N 3.02Å; N48-V50 WeakPolarHBondContact OD1-CA 3.32Å; N48-V50 PolarHBondContact OD1-N 3.47Å; V50-R93 CarbonylContact O-C 3.56Å; V50-R93 VanDerWaalsContact O-CA 3.26Å; V50-R93 WeakPolarHBondContact O-CA 3.13Å; V50-A94 PolarHBondContact O-N 2.99Å |
| 51 | Y | 93.5 | Very high | 94.4 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 6% | 0.055 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 135.4 | -175.1 | -61.9 | -74 | 0 | 0 | 0 | 111.4 | P2 E4 A5 W9 N48 R93 | P2-Y51 HydrophobicContact CB-CD1 3.55Å; P2-Y51 HydrophobicContact CB-CD2 4.37Å; P2-Y51 HydrophobicContact CB-CE1 3.56Å; P2-Y51 HydrophobicContact CB-CE2 4.38Å; P2-Y51 HydrophobicContact CB-CG 3.99Å; P2-Y51 HydrophobicContact CG-CD1 3.83Å; P2-Y51 HydrophobicContact CG-CD2 3.84Å; P2-Y51 HydrophobicContact CG-CE1 4.12Å; P2-Y51 HydrophobicContact CG-CE2 4.13Å; P2-Y51 HydrophobicContact CG-CG 3.7Å; E4-Y51 PolarHBondContact O-OH 2.96Å; A5-Y51 VanDerWaalsContact CA-OH 3.25Å; A5-Y51 WeakPolarHBondContact CA-OH 3.41Å; A5-Y51 HydrophobicContact CB-CE2 4.09Å; W9-Y51 HydrophobicContact CB-CE2 4.48Å; N48-Y51 PolarHBondContact OD1-N 3.3Å; Y51-R93 HydrophobicContact CD1-CG 4.42Å; Y51-R93 HydrophobicContact CE1-CG 4.18Å |
| 52 | Y | 92.8 | Very high | 94.4 | Very high | 125 Ų | 125 | 47.3 Ų | 47.3 | 49% | 0.49 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.1 | 172.6 | -177.3 | -112.6 | 0 | 0 | 0 | 110.4 | S90 S91 G92 | Y52-S90 CarbonylContact O-C 3.56Å; Y52-S90 WeakPolarHBondContact O-CA 3.3Å; Y52-S90 PolarHBondContact O-OG 3.46Å; Y52-S91 PolarHBondContact O-N 3.33Å; Y52-G92 PolarHBondContact N-O 3.42Å |
| 53 | F | 93.4 | Very high | 94.3 | Very high | 14 Ų | 14 | 54.3 Ų | 54.3 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 139.1 | 176.1 | -67.9 | -92.2 | 0 | 0 | 0 | 109.7 | P2 W9 V46 N48 G55 | P2-F53 HydrophobicContact CG-CZ 4.22Å; W9-F53 HydrophobicContact CZ3-CZ 4.01Å; V46-F53 HydrophobicContact CB-CB 3.82Å; V46-F53 HydrophobicContact CB-CD1 4.34Å; V46-F53 HydrophobicContact CB-CD2 3.9Å; V46-F53 HydrophobicContact CB-CG 3.77Å; V46-F53 HydrophobicContact CG1-CB 4.46Å; V46-F53 HydrophobicContact CG1-CD1 4.33Å; V46-F53 HydrophobicContact CG1-CD2 3.59Å; V46-F53 HydrophobicContact CG1-CE1 4.5Å; V46-F53 HydrophobicContact CG1-CE2 3.79Å; V46-F53 HydrophobicContact CG1-CG 3.89Å; V46-F53 HydrophobicContact CG1-CZ 4.24Å; N48-F53 HydrophobicContact CB-CD2 4.49Å; N48-F53 HydrophobicContact CB-CE2 4.08Å; F53-G55 PolarHBondContact O-N 3.34Å |
| 54 | Q | 91.4 | Very high | 94.2 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 32% | 0.318 | 29% | 0.286 | S | S | . | . | trans | -73.2 | 126.7 | 174.1 | -174.7 | 61.5 | 61 | 0 | 0 | 110.1 | ||||
| 55 | G | 92.9 | Very high | 94.1 | Very high | 6 Ų | 6 | 62.3 Ų | 62.3 | 6% | 0.062 | 32% | 0.319 | C | S | . | . | trans | -62.5 | 148.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | V44 F53 L71 | V44-G55 WeakPolarHBondContact O-CA 3.25Å; F53-G55 PolarHBondContact O-N 3.34Å; G55-L71 WeakPolarHBondContact O-CB 3.47Å; G55-L71 PolarHBondContact O-N 3.29Å | ||
| 56 | V | 94.1 | Very high | 94.1 | Very high | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.024 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 135.7 | -178.6 | 170.1 | 0 | 0 | 0 | 0 | 109.9 | V44 V58 A68 R69 L82 L86 L88 | V44-V56 PolarHBondContact N-O 2.99Å; V44-V56 PolarHBondContact O-N 3.4Å; V56-V58 HydrophobicContact CG1-CG2 4.15Å; V56-A68 HydrophobicContact CG1-CB 4.24Å; V56-R69 WeakPolarHBondContact CG1-O 3.37Å; V56-L82 HydrophobicContact CB-CD1 4.38Å; V56-L82 HydrophobicContact CG1-CD1 3.79Å; V56-L82 HydrophobicContact CG2-CD1 3.61Å; V56-L86 HydrophobicContact CG1-CD2 3.9Å; V56-L88 HydrophobicContact CB-CD2 4.18Å; V56-L88 HydrophobicContact CG2-CD2 3.38Å |
| 57 | R | 93.9 | Very high | 94.1 | Very high | 114 Ų | 114 | 68.4 Ų | 68.4 | 43% | 0.43 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 128.6 | 172.6 | -175.8 | 175.2 | 177.5 | 163.2 | 6.2 | 109.4 | Y42 D59 A68 R69 | Y42-R57 CarbonylContact O-C 3.57Å; Y42-R57 WeakPolarHBondContact O-CA 3.17Å; R57-D59 IonicContact NE-OD1 3.37Å; R57-D59 PolarHBondContact NE-OD1 3.39Å; R57-A68 CarbonylContact O-C 3.56Å; R57-A68 WeakPolarHBondContact O-CA 3.35Å; R57-R69 PolarHBondContact N-O 3.42Å; R57-R69 PolarHBondContact O-N 3.44Å |
| 58 | V | 95 | Very high | 94.1 | Very high | 10 Ų | 10 | 65.7 Ų | 65.7 | 6% | 0.061 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 122.9 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 109.1 | Y42 V44 V56 I60 I66 R67 L86 | Y42-V58 PolarHBondContact N-O 3.04Å; Y42-V58 PolarHBondContact O-N 2.91Å; V44-V58 HydrophobicContact CB-CG2 4.38Å; V44-V58 HydrophobicContact CG2-CB 4.16Å; V44-V58 HydrophobicContact CG2-CG2 3.61Å; V56-V58 HydrophobicContact CG1-CG2 4.15Å; V58-I60 HydrophobicContact CG1-CG1 4.15Å; V58-I66 HydrophobicContact CG1-CG2 3.59Å; V58-R67 CarbonylContact C-O 3.49Å; V58-R67 WeakPolarHBondContact CA-O 3.32Å; V58-L86 HydrophobicContact CG2-CD1 3.88Å; V58-L86 HydrophobicContact CG2-CD2 4.37Å |
| 59 | D | 95.1 | Very high | 94 | Very high | 27 Ų | 27 | 68.2 Ų | 68.2 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 119.7 | 176.2 | -59.6 | -37.1 | 0 | 0 | 0 | 108.9 | S41 R57 I66 R67 R69 | S41-D59 WeakPolarHBondContact CB-OD1 3.1Å; S41-D59 PolarHBondContact OG-OD1 2.97Å; R57-D59 IonicContact NE-OD1 3.37Å; R57-D59 PolarHBondContact NE-OD1 3.39Å; D59-I66 WeakPolarHBondContact O-CA 3.29Å; D59-R67 PolarHBondContact N-O 3.29Å; D59-R67 PolarHBondContact O-N 2.76Å; D59-R69 IonicContact OD2-NH1 3.58Å |
| 60 | I | 96.4 | Very high | 93.8 | Very high | 37 Ų | 37 | 67.7 Ų | 67.7 | 19% | 0.19 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 112.4 | 179.2 | -53.3 | 174.8 | 0 | 0 | 0 | 108.3 | V37 S39 G40 Y42 V58 I66 | V37-I60 HydrophobicContact CB-CD1 4.28Å; V37-I60 HydrophobicContact CG1-CD1 3.77Å; S39-I60 CarbonylContact C-O 3.55Å; S39-I60 WeakPolarHBondContact CA-O 3.39Å; S39-I60 WeakPolarHBondContact CB-O 3.27Å; G40-I60 PolarHBondContact N-O 2.56Å; G40-I60 PolarHBondContact O-N 3.09Å; Y42-I60 HydrophobicContact CD2-CD1 4.2Å; Y42-I60 HydrophobicContact CE2-CD1 4.32Å; V58-I60 HydrophobicContact CG1-CG1 4.15Å; I60-I66 HydrophobicContact CG1-CG1 4.47Å |
| 61 | S | 96.5 | Very high | 93.6 | Very high | 52 Ų | 52 | 67 Ų | 67 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | trans | -72.1 | 153.2 | 175.4 | -176.2 | 0 | 0 | 0 | 0 | 111.2 | K63 G64 R65 | S61-K63 PolarHBondContact O-N 2.78Å; S61-K63 VanDerWaalsContact O-N 3.07Å; S61-K63 PolarHBondContact OG-N 3.07Å; S61-G64 PolarHBondContact O-N 2.85Å; S61-R65 WeakPolarHBondContact CB-O 3.47Å; S61-R65 PolarHBondContact N-O 3.06Å | ||
| 62 | S | 95 | Very high | 93.1 | Very high | 106 Ų | 106 | 68.7 Ų | 68.7 | 74% | 0.741 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20.9 | 170.6 | 55.3 | 0 | 0 | 0 | 0 | 113.7 | G64 | S62-G64 VanDerWaalsContact C-N 3.3Š|
| 63 | K | 94.6 | Very high | 92.3 | Very high | 186 Ų | 186 | 67 Ų | 67 | 81% | 0.809 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 2.7 | 173.2 | -61.5 | -175.2 | 179 | 179.9 | 0 | 114.2 | S61 R65 | S61-K63 PolarHBondContact O-N 2.78Å; S61-K63 VanDerWaalsContact O-N 3.07Å; S61-K63 PolarHBondContact OG-N 3.07Å; K63-R65 VanDerWaalsContact C-N 3.31Å; K63-R65 PolarHBondContact O-N 2.74Å |
| 64 | G | 90.7 | Very high | 91.5 | Very high | 53 Ų | 53 | 72 Ų | 72 | 55% | 0.546 | 38% | 0.377 | S | S | . | . | S | Bend | trans | 77.8 | 8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | S61 S62 | S61-G64 PolarHBondContact O-N 2.85Å; S62-G64 VanDerWaalsContact C-N 3.3Å |
| 65 | R | 94.5 | Very high | 90.9 | Very high | 193 Ų | 193 | 74.8 Ų | 74.8 | 73% | 0.728 | 39% | 0.39 | S | S | * | . | trans | -74 | 126.6 | 172 | -67.8 | -64.9 | -147.9 | -174.7 | 5 | 109.5 | S61 K63 | S61-R65 WeakPolarHBondContact CB-O 3.47Å; S61-R65 PolarHBondContact N-O 3.06Å; K63-R65 VanDerWaalsContact C-N 3.31Å; K63-R65 PolarHBondContact O-N 2.74Å | ||
| 66 | I | 95.4 | Very high | 90.2 | Very high | 58 Ų | 58 | 79.2 Ų | 79.2 | 30% | 0.297 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 133.8 | 179.8 | -56.5 | 173.5 | 0 | 0 | 0 | 109.4 | V58 D59 I60 Y84 | V58-I66 HydrophobicContact CG1-CG2 3.59Å; D59-I66 WeakPolarHBondContact O-CA 3.29Å; I60-I66 HydrophobicContact CG1-CG1 4.47Å; I66-Y84 HydrophobicContact CB-CD2 4.47Å; I66-Y84 HydrophobicContact CB-CE2 4.43Å; I66-Y84 HydrophobicContact CD1-CE1 3.91Å; I66-Y84 HydrophobicContact CD1-CE2 4.17Å; I66-Y84 WeakPolarHBondContact CD1-OH 3.36Å; I66-Y84 HydrophobicContact CG2-CD2 3.69Å; I66-Y84 HydrophobicContact CG2-CE2 3.65Å; I66-Y84 HydrophobicContact CG2-CG 4.22Å |
| 67 | R | 94.5 | Very high | 89.4 | Confident | 160 Ų | 160 | 86.4 Ų | 86.4 | 60% | 0.604 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.7 | 172.4 | -64.6 | -179.4 | 179.6 | 170.9 | -2.4 | 109.2 | V58 D59 | V58-R67 CarbonylContact C-O 3.49Å; V58-R67 WeakPolarHBondContact CA-O 3.32Å; D59-R67 PolarHBondContact N-O 3.29Å; D59-R67 PolarHBondContact O-N 2.76Å |
| 68 | A | 94.6 | Very high | 88.8 | Confident | 4 Ų | 4 | 82.9 Ų | 82.9 | 3% | 0.033 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | V56 R57 L82 L86 | V56-A68 HydrophobicContact CG1-CB 4.24Å; R57-A68 CarbonylContact O-C 3.56Å; R57-A68 WeakPolarHBondContact O-CA 3.35Å; A68-L82 HydrophobicContact CB-CB 4.04Å; A68-L82 PolarHBondContact O-N 3.31Å; A68-L86 HydrophobicContact CB-CD2 3.34Å |
| 69 | R | 92.8 | Very high | 88.1 | Confident | 64 Ų | 64 | 85.9 Ų | 85.9 | 24% | 0.242 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 143.1 | -177 | -67.5 | 172.4 | 165.4 | 168.1 | -12.3 | 110.4 | V56 R57 D59 L71 V79 K80 E81 | V56-R69 WeakPolarHBondContact CG1-O 3.37Å; R57-R69 PolarHBondContact N-O 3.42Å; R57-R69 PolarHBondContact O-N 3.44Å; D59-R69 IonicContact OD2-NH1 3.58Å; R69-L71 PolarHBondContact O-N 2.72Å; R69-V79 HydrophobicContact CG-CG1 4Å; R69-K80 VanDerWaalsContact CA-O 3.31Å; R69-K80 WeakPolarHBondContact CA-O 3.22Å; R69-E81 IonicContact NE-OE1 3.93Å; R69-E81 IonicContact NH2-OE1 3.44Å; R69-E81 PolarHBondContact NH2-OE1 2.89Å |
| 70 | Q | 90.4 | Very high | 87.8 | Confident | 60 Ų | 60 | 90.5 Ų | 90.5 | 28% | 0.28 | 49% | 0.489 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 137.2 | 174.9 | -170.8 | 171.9 | 10.7 | 0 | 0 | 110.8 | N72 K80 L82 | Q70-N72 PolarHBondContact O-N 3.27Å; Q70-N72 VanDerWaalsContact O-N 3.13Å; Q70-K80 HydrophobicContact CB-CB 4.21Å; Q70-K80 PolarHBondContact N-O 3.32Å; Q70-K80 VanDerWaalsContact OE1-CD 3.23Å; Q70-L82 HydrophobicContact CB-CD1 4.34Å |
| 71 | L | 88.3 | Confident | 87.5 | Confident | 51 Ų | 51 | 95 Ų | 95 | 27% | 0.267 | 51% | 0.509 | S | S | . | . | trans | -76.6 | 98 | 175.6 | -174.6 | 67.3 | 0 | 0 | 0 | 110 | I43 G55 R69 | I43-L71 HydrophobicContact CD1-CD1 4Å; I43-L71 HydrophobicContact CG1-CD1 4.29Å; I43-L71 HydrophobicContact CG2-CD2 3.87Å; G55-L71 WeakPolarHBondContact O-CB 3.47Å; G55-L71 PolarHBondContact O-N 3.29Å; R69-L71 PolarHBondContact O-N 2.72Å | ||
| 72 | N | 83.4 | Confident | 87.4 | Confident | 50 Ų | 50 | 95.1 Ų | 95.1 | 27% | 0.267 | 51% | 0.505 | S | S | . | . | trans | -105.6 | 93.2 | 175.4 | -67.3 | -25.3 | 0 | 0 | 0 | 109.7 | Q70 Q75 A78 | Q70-N72 PolarHBondContact O-N 3.27Å; Q70-N72 VanDerWaalsContact O-N 3.13Å; N72-Q75 CarbonylContact O-C 3.6Å; N72-A78 PolarHBondContact ND2-O 3.4Å | ||
| 73 | A | 75.2 | Confident | 87.3 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 74% | 0.744 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -60.3 | -44 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q75 | A73-Q75 VanDerWaalsContact C-N 3.33Å; A73-Q75 PolarHBondContact O-N 3.03Å |
| 74 | P | 77.9 | Confident | 87.2 | Confident | 119 Ų | 119 | 91.7 Ų | 91.7 | 77% | 0.773 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -77 | -19.2 | -175.8 | 29 | -34.5 | 0 | 0 | 0 | 113.7 | ||
| 75 | Q | 78.5 | Confident | 87.3 | Confident | 126 Ų | 126 | 94 Ų | 94 | 59% | 0.589 | 49% | 0.488 | S | S | * | . | trans | -137.4 | 79.2 | -176.5 | -69.6 | 172.8 | 21.3 | 0 | 0 | 109.7 | N72 A73 N77 A78 | N72-Q75 CarbonylContact O-C 3.6Å; A73-Q75 VanDerWaalsContact C-N 3.33Å; A73-Q75 PolarHBondContact O-N 3.03Å; Q75-N77 PolarHBondContact O-N 3.45Å; Q75-N77 VanDerWaalsContact O-N 3.13Å; Q75-A78 HydrophobicContact CB-CB 3.79Å; Q75-A78 WeakPolarHBondContact O-CB 3.46Å; Q75-A78 PolarHBondContact O-N 3.03Å | ||
| 76 | P | 77.1 | Confident | 87.3 | Confident | 100 Ų | 100 | 86 Ų | 86 | 65% | 0.649 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.8 | -178.2 | 24.6 | -34.5 | 0 | 0 | 0 | 113 | ||
| 77 | N | 77.6 | Confident | 87.1 | Confident | 154 Ų | 154 | 93.9 Ų | 93.9 | 82% | 0.824 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -17.4 | 178.6 | -63.3 | -16.8 | 0 | 0 | 0 | 113.2 | Q75 V79 | Q75-N77 PolarHBondContact O-N 3.45Å; Q75-N77 VanDerWaalsContact O-N 3.13Å; N77-V79 VanDerWaalsContact C-N 3.29Å; N77-V79 PolarHBondContact O-N 2.98Å |
| 78 | A | 81.3 | Confident | 86.9 | Confident | 40 Ų | 40 | 87.9 Ų | 87.9 | 33% | 0.331 | 47% | 0.465 | S | S | . | . | trans | -78.7 | 82.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | N72 Q75 K80 | N72-A78 PolarHBondContact ND2-O 3.4Å; Q75-A78 HydrophobicContact CB-CB 3.79Å; Q75-A78 WeakPolarHBondContact O-CB 3.46Å; Q75-A78 PolarHBondContact O-N 3.03Å; A78-K80 PolarHBondContact O-N 3.34Å | ||
| 79 | V | 80.6 | Confident | 86.7 | Confident | 74 Ų | 74 | 91.8 Ų | 91.8 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | trans | -80.1 | 110.1 | -179.3 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | R69 N77 E81 | R69-V79 HydrophobicContact CG-CG1 4Å; N77-V79 VanDerWaalsContact C-N 3.29Å; N77-V79 PolarHBondContact O-N 2.98Å; V79-E81 HydrophobicContact CG1-CG 3.92Å | ||
| 80 | K | 88.3 | Confident | 86.6 | Confident | 124 Ų | 124 | 89.5 Ų | 89.5 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | trans | -105.6 | 105.3 | 165.2 | -169.1 | -175.8 | -174.1 | 177.8 | 0 | 108.9 | R69 Q70 A78 | R69-K80 VanDerWaalsContact CA-O 3.31Å; R69-K80 WeakPolarHBondContact CA-O 3.22Å; Q70-K80 HydrophobicContact CB-CB 4.21Å; Q70-K80 PolarHBondContact N-O 3.32Å; Q70-K80 VanDerWaalsContact OE1-CD 3.23Å; A78-K80 PolarHBondContact O-N 3.34Å | ||
| 81 | E | 91.4 | Very high | 86.6 | Confident | 130 Ų | 130 | 90.4 Ų | 90.4 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 137.8 | 177.9 | -57.1 | -162.5 | 153.5 | 0 | 0 | 110.3 | R69 V79 | R69-E81 IonicContact NE-OE1 3.93Å; R69-E81 IonicContact NH2-OE1 3.44Å; R69-E81 PolarHBondContact NH2-OE1 2.89Å; V79-E81 HydrophobicContact CG1-CG 3.92Å |
| 82 | L | 92.7 | Very high | 86.7 | Confident | 55 Ų | 55 | 89.6 Ų | 89.6 | 29% | 0.288 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 144.7 | 177.5 | -69.4 | 174.2 | 0 | 0 | 0 | 109.3 | V56 A68 Q70 | V56-L82 HydrophobicContact CB-CD1 4.38Å; V56-L82 HydrophobicContact CG1-CD1 3.79Å; V56-L82 HydrophobicContact CG2-CD1 3.61Å; A68-L82 HydrophobicContact CB-CB 4.04Å; A68-L82 PolarHBondContact O-N 3.31Å; Q70-L82 HydrophobicContact CB-CD1 4.34Å |
| 83 | P | 93.7 | Very high | 87.1 | Confident | 87 Ų | 87 | 93.6 Ų | 93.6 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | trans | -64.7 | 149.7 | 175.2 | 28.5 | -34.5 | 0 | 0 | 0 | 110.8 | ||||
| 84 | Y | 92.7 | Very high | 87.9 | Confident | 134 Ų | 134 | 90.6 Ų | 90.6 | 53% | 0.525 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -115.4 | 134.7 | 170.7 | -168.9 | -93.5 | 0 | 0 | 0 | 109 | I66 L86 | I66-Y84 HydrophobicContact CB-CD2 4.47Å; I66-Y84 HydrophobicContact CB-CE2 4.43Å; I66-Y84 HydrophobicContact CD1-CE1 3.91Å; I66-Y84 HydrophobicContact CD1-CE2 4.17Å; I66-Y84 WeakPolarHBondContact CD1-OH 3.36Å; I66-Y84 HydrophobicContact CG2-CD2 3.69Å; I66-Y84 HydrophobicContact CG2-CE2 3.65Å; I66-Y84 HydrophobicContact CG2-CG 4.22Å; Y84-L86 HydrophobicContact CD2-CD2 4.44Å; Y84-L86 HydrophobicContact CD2-CG 4.19Å; Y84-L86 HydrophobicContact CE2-CG 4.35Å |
| 85 | P | 93 | Very high | 88.5 | Confident | 100 Ų | 100 | 90.9 Ų | 90.9 | 65% | 0.649 | 49% | 0.489 | S | S | * | . | S | Bend | cis | -62.9 | 151.9 | 3.3 | -22.6 | 34.4 | 0 | 0 | 0 | 114.5 | R87 | P85-R87 PolarHBondContact O-N 3.2Š|
| 86 | L | 93.6 | Very high | 89.2 | Confident | 25 Ų | 25 | 92 Ų | 92 | 13% | 0.131 | 49% | 0.489 | C | S | . | . | trans | -63.4 | 127.8 | -175.4 | -66 | 177.5 | 0 | 0 | 0 | 111.6 | F32 V44 V56 V58 A68 Y84 L88 | F32-L86 HydrophobicContact CZ-CB 4.09Å; F32-L86 HydrophobicContact CZ-CD1 4.15Å; V44-L86 HydrophobicContact CG1-CD1 4.46Å; V56-L86 HydrophobicContact CG1-CD2 3.9Å; V58-L86 HydrophobicContact CG2-CD1 3.88Å; V58-L86 HydrophobicContact CG2-CD2 4.37Å; A68-L86 HydrophobicContact CB-CD2 3.34Å; Y84-L86 HydrophobicContact CD2-CD2 4.44Å; Y84-L86 HydrophobicContact CD2-CG 4.19Å; Y84-L86 HydrophobicContact CE2-CG 4.35Å; L86-L88 HydrophobicContact CB-CG 4.36Å | ||
| 87 | R | 91.6 | Very high | 89.9 | Confident | 225 Ų | 225 | 95.8 Ų | 95.8 | 85% | 0.849 | 50% | 0.495 | S | S | * | . | trans | -109.6 | 91.4 | 171.7 | -65.1 | -172.5 | 178.6 | -167.1 | -0.7 | 109.6 | P85 | P85-R87 PolarHBondContact O-N 3.2Š| ||
| 88 | L | 90.7 | Very high | 90.5 | Very high | 33 Ų | 33 | 96.4 Ų | 96.4 | 17% | 0.173 | 49% | 0.491 | C | S | . | . | trans | -91.7 | 112.9 | 179.8 | -54.7 | 179.9 | 0 | 0 | 0 | 109.2 | F32 V46 V56 L86 | F32-L88 HydrophobicContact CE1-CD1 4.39Å; F32-L88 HydrophobicContact CZ-CD1 4.27Å; V46-L88 HydrophobicContact CG2-CD1 3.44Å; V46-L88 VanDerWaalsContact CG2-CD1 3.44Å; V56-L88 HydrophobicContact CB-CD2 4.18Å; V56-L88 HydrophobicContact CG2-CD2 3.38Å; L86-L88 HydrophobicContact CB-CG 4.36Å | ||
| 89 | S | 90.2 | Very high | 90.7 | Very high | 87 Ų | 87 | 98.4 Ų | 98.4 | 61% | 0.608 | 51% | 0.507 | S | S | * | . | trans | -90.6 | 145.4 | 170.6 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 90 | S | 91.1 | Very high | 91.1 | Very high | 16 Ų | 16 | 105.9 Ų | 105.9 | 11% | 0.112 | 53% | 0.527 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 138.3 | 168.4 | 176.9 | 0 | 0 | 0 | 0 | 109.2 | Y52 G92 | Y52-S90 CarbonylContact O-C 3.56Å; Y52-S90 WeakPolarHBondContact O-CA 3.3Å; Y52-S90 PolarHBondContact O-OG 3.46Å; S90-G92 VanDerWaalsContact C-N 3.33Å; S90-G92 PolarHBondContact OG-N 2.94Å; S90-G92 PolarHBondContact OG-O 2.97Å |
| 91 | S | 90.3 | Very high | 90.9 | Very high | 79 Ų | 79 | 107.5 Ų | 107.5 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -6.2 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | Y52 | Y52-S91 PolarHBondContact O-N 3.33Å |
| 92 | G | 90.4 | Very high | 90.5 | Very high | 33 Ų | 33 | 109 Ų | 109 | 34% | 0.34 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 142.1 | -176.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y52 S90 | Y52-G92 PolarHBondContact N-O 3.42Å; S90-G92 VanDerWaalsContact C-N 3.33Å; S90-G92 PolarHBondContact OG-N 2.94Å; S90-G92 PolarHBondContact OG-O 2.97Å |
| 93 | R | 92 | Very high | 89.5 | Confident | 134 Ų | 134 | 114.2 Ų | 114.2 | 51% | 0.506 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.7 | 138.5 | 171 | -73.5 | -178 | 171.2 | 155.4 | 0.6 | 110.3 | E4 V50 Y51 V95 | E4-R93 IonicContact OE1-CZ 2.69Å; E4-R93 IonicContact OE1-NH1 3.42Å; E4-R93 PolarHBondContact OE1-NH1 3.2Å; E4-R93 IonicContact OE1-NH2 3.37Å; E4-R93 PolarHBondContact OE1-NH2 3.29Å; E4-R93 IonicContact OE2-CZ 3.22Å; E4-R93 IonicContact OE2-NE 3.56Å; E4-R93 IonicContact OE2-NH1 3.37Å; E4-R93 IonicContact OE2-NH2 4Å; E4-R93 PolarHBondContact OE2-NH2 3.29Å; V50-R93 CarbonylContact O-C 3.56Å; V50-R93 VanDerWaalsContact O-CA 3.26Å; V50-R93 WeakPolarHBondContact O-CA 3.13Å; Y51-R93 HydrophobicContact CD1-CG 4.42Å; Y51-R93 HydrophobicContact CE1-CG 4.18Å; R93-V95 PolarHBondContact O-N 2.76Å |
| 94 | A | 91.3 | Very high | 88.4 | Confident | 27 Ų | 27 | 118 Ų | 118 | 22% | 0.223 | 57% | 0.574 | C | S | . | * | trans | -70.8 | 120.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | V50 Y96 | V50-A94 PolarHBondContact O-N 2.99Å; A94-Y96 HydrophobicContact CB-CD2 4.29Å; A94-Y96 HydrophobicContact CB-CE1 4.21Å; A94-Y96 HydrophobicContact CB-CE2 3.46Å; A94-Y96 VanDerWaalsContact CB-CE2 3.46Å; A94-Y96 VanDerWaalsContact CB-CZ 3.42Å; A94-Y96 WeakPolarHBondContact CB-OH 3.31Å | ||
| 95 | V | 91.6 | Very high | 87.4 | Confident | 126 Ų | 126 | 117.2 Ų | 117.2 | 76% | 0.764 | 58% | 0.584 | S | S | * | * | trans | -99.2 | 95.2 | 178.1 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | R93 F97 | R93-V95 PolarHBondContact O-N 2.76Å; V95-F97 WeakPolarHBondContact CG1-O 3.32Å | ||
| 96 | Y | 92 | Very high | 86.7 | Confident | 149 Ų | 149 | 117.9 Ų | 117.9 | 58% | 0.584 | 58% | 0.581 | S | S | * | * | trans | -81 | -20.9 | 179.4 | -59 | -76.5 | 0 | 0 | 0 | 113.3 | P49 A94 | P49-Y96 WeakPolarHBondContact O-CE2 3.29Å; P49-Y96 PolarHBondContact O-OH 3.44Å; P49-Y96 VanDerWaalsContact O-OH 3.13Å; A94-Y96 HydrophobicContact CB-CD2 4.29Å; A94-Y96 HydrophobicContact CB-CE1 4.21Å; A94-Y96 HydrophobicContact CB-CE2 3.46Å; A94-Y96 VanDerWaalsContact CB-CE2 3.46Å; A94-Y96 VanDerWaalsContact CB-CZ 3.42Å; A94-Y96 WeakPolarHBondContact CB-OH 3.31Å | ||
| 97 | F | 91.9 | Very high | 86.1 | Confident | 179 Ų | 179 | 120.8 Ų | 120.8 | 79% | 0.785 | 60% | 0.597 | S | S | * | * | trans | -104.8 | 117.7 | -177.1 | -58.2 | -76 | 0 | 0 | 0 | 110 | V95 | V95-F97 WeakPolarHBondContact CG1-O 3.32Š| ||
| 98 | K | 89.5 | Confident | 85.6 | Confident | 168 Ų | 168 | 115.1 Ų | 115.1 | 73% | 0.73 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 131.9 | 163.4 | -165.1 | -172.3 | 179.1 | -164.2 | 0 | 107.5 | R100 E101 | K98-R100 PolarHBondContact O-N 3.41Å; K98-E101 IonicContact NZ-OE1 2.99Å; K98-E101 PolarHBondContact NZ-OE1 2.88Å |
| 99 | A | 87.5 | Confident | 85.1 | Confident | 81 Ų | 81 | 116.8 Ų | 116.8 | 67% | 0.669 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 138.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | E101 | A99-E101 PolarHBondContact O-N 2.83Š|
| 100 | R | 88.3 | Confident | 84.8 | Confident | 231 Ų | 231 | 119.4 Ų | 119.4 | 87% | 0.872 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 137.7 | 173.8 | -73.3 | -166.8 | -178.3 | -162.8 | 1.4 | 108.4 | K98 Q102 | K98-R100 PolarHBondContact O-N 3.41Å; R100-Q102 VanDerWaalsContact C-N 3.3Å; R100-Q102 PolarHBondContact O-N 3.48Å |
| 101 | E | 84.5 | Confident | 84.7 | Confident | 159 Ų | 159 | 121.5 Ų | 121.5 | 74% | 0.743 | 60% | 0.602 | S | S | * | * | trans | -59.4 | 101.9 | 167.8 | -72.7 | 169.6 | -162.1 | 0 | 0 | 106.4 | K98 A99 L103 | K98-E101 IonicContact NZ-OE1 2.99Å; K98-E101 PolarHBondContact NZ-OE1 2.88Å; A99-E101 PolarHBondContact O-N 2.83Å; E101-L103 PolarHBondContact O-N 3.05Å | ||
| 102 | Q | 82.8 | Confident | 84.7 | Confident | 160 Ų | 160 | 121.2 Ų | 121.2 | 75% | 0.748 | 60% | 0.599 | S | S | * | * | trans | -70.4 | 124 | 177.6 | -66.7 | 174.8 | 4.9 | 0 | 0 | 105.4 | R100 R104 | R100-Q102 VanDerWaalsContact C-N 3.3Å; R100-Q102 PolarHBondContact O-N 3.48Å; Q102-R104 PolarHBondContact O-N 3.02Å | ||
| 103 | L | 70.3 | Confident | 84.7 | Confident | 166 Ų | 166 | 125.3 Ų | 125.3 | 87% | 0.869 | 61% | 0.613 | S | S | * | * | trans | -62.3 | 84.8 | 161.4 | -63.2 | 179.3 | 0 | 0 | 0 | 106 | E101 T105 | E101-L103 PolarHBondContact O-N 3.05Å; L103-T105 VanDerWaalsContact C-N 3.3Å; L103-T105 PolarHBondContact O-N 3.41Å | ||
| 104 | R | 71.9 | Confident | 84.7 | Confident | 165 Ų | 165 | 121.4 Ų | 121.4 | 62% | 0.623 | 60% | 0.604 | S | S | * | * | trans | -59.1 | 103 | 169.9 | -76.5 | 172.7 | 179.1 | 173.2 | -1.4 | 104.4 | Q102 L106 D107 L108 | Q102-R104 PolarHBondContact O-N 3.02Å; R104-L106 PolarHBondContact O-N 2.83Å; R104-D107 HydrophobicContact CB-CB 3.26Å; R104-D107 HydrophobicContact CG-CB 4.22Å; R104-D107 IonicContact NH1-OD2 3.76Å; R104-D107 WeakPolarHBondContact O-CA 3.31Å; R104-D107 VanDerWaalsContact O-CB 3.29Å; R104-D107 WeakPolarHBondContact O-CB 3.46Å; R104-D107 PolarHBondContact O-N 2.8Å; R104-L108 PolarHBondContact O-N 3.17Å | ||
| 105 | T | 71.2 | Confident | 84.7 | Confident | 119 Ų | 119 | 123.9 Ų | 123.9 | 73% | 0.73 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -55 | -30.3 | 178.9 | -48.9 | 0 | 0 | 0 | 0 | 110.7 | L103 L109 | L103-T105 VanDerWaalsContact C-N 3.3Å; L103-T105 PolarHBondContact O-N 3.41Å; T105-L109 PolarHBondContact O-N 3.38Å |
| 106 | L | 77.1 | Confident | 84.7 | Confident | 113 Ų | 113 | 126.5 Ų | 126.5 | 59% | 0.592 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.4 | -33 | 170.2 | -63.9 | 179.4 | 0 | 0 | 0 | 113.9 | R104 L108 L109 F110 | R104-L106 PolarHBondContact O-N 2.83Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L106-L109 CarbonylContact O-C 3.49Å; L106-L109 WeakPolarHBondContact O-CB 3.41Å; L106-L109 PolarHBondContact O-N 2.98Å; L106-L109 VanDerWaalsContact O-N 3.17Å; L106-F110 HydrophobicContact CB-CD2 4.22Å; L106-F110 HydrophobicContact CB-CE2 4.14Å; L106-F110 WeakPolarHBondContact O-CB 3.4Å; L106-F110 WeakPolarHBondContact O-CD2 3.19Å; L106-F110 WeakPolarHBondContact O-CG 3.34Å; L106-F110 PolarHBondContact O-N 3.11Å |
| 107 | D | 81.5 | Confident | 84.7 | Confident | 86 Ų | 86 | 124.5 Ų | 124.5 | 46% | 0.46 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.7 | -23.8 | 176.4 | -152.6 | 14.3 | 0 | 0 | 0 | 111.6 | R104 F110 N111 | R104-D107 HydrophobicContact CB-CB 3.26Å; R104-D107 HydrophobicContact CG-CB 4.22Å; R104-D107 IonicContact NH1-OD2 3.76Å; R104-D107 WeakPolarHBondContact O-CA 3.31Å; R104-D107 VanDerWaalsContact O-CB 3.29Å; R104-D107 WeakPolarHBondContact O-CB 3.46Å; R104-D107 PolarHBondContact O-N 2.8Å; D107-F110 CarbonylContact O-C 3.56Å; D107-N111 WeakPolarHBondContact O-CB 3.31Å; D107-N111 PolarHBondContact O-N 3.33Å |
| 108 | L | 80.6 | Confident | 84.7 | Confident | 106 Ų | 106 | 119.6 Ų | 119.6 | 56% | 0.555 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -70.1 | -39.9 | 165.4 | -176.5 | 63.2 | 0 | 0 | 0 | 111.5 | R104 L106 N111 V114 | R104-L108 PolarHBondContact O-N 3.17Å; L106-L108 VanDerWaalsContact C-N 3.3Å; L108-N111 WeakPolarHBondContact O-CB 3.44Å; L108-N111 PolarHBondContact O-N 2.99Å; L108-V114 HydrophobicContact CD1-CG2 3.96Å; L108-V114 HydrophobicContact CG-CG2 4.35Å; L108-V114 VanDerWaalsContact O-CB 3.31Å; L108-V114 WeakPolarHBondContact O-CB 2.99Å; L108-V114 VanDerWaalsContact O-CG2 3.32Å; L108-V114 WeakPolarHBondContact O-CG2 3.08Å |
| 109 | L | 82 | Confident | 84.8 | Confident | 69 Ų | 69 | 115.5 Ų | 115.5 | 36% | 0.361 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.5 | -38.7 | 175.4 | -178.9 | 63.5 | 0 | 0 | 0 | 112.1 | T105 L106 N111 L118 | T105-L109 PolarHBondContact O-N 3.38Å; L106-L109 CarbonylContact O-C 3.49Å; L106-L109 WeakPolarHBondContact O-CB 3.41Å; L106-L109 PolarHBondContact O-N 2.98Å; L106-L109 VanDerWaalsContact O-N 3.17Å; L109-N111 PolarHBondContact O-N 3.09Å; L109-L118 HydrophobicContact CD1-CD2 3.46Å; L109-L118 VanDerWaalsContact CD1-CD2 3.46Å |
| 110 | F | 83.5 | Confident | 85 | Confident | 142 Ų | 142 | 114.8 Ų | 114.8 | 62% | 0.623 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 7.4 | 174.1 | -62.9 | -54.8 | 0 | 0 | 0 | 113.1 | L106 D107 | L106-F110 HydrophobicContact CB-CD2 4.22Å; L106-F110 HydrophobicContact CB-CE2 4.14Å; L106-F110 WeakPolarHBondContact O-CB 3.4Å; L106-F110 WeakPolarHBondContact O-CD2 3.19Å; L106-F110 WeakPolarHBondContact O-CG 3.34Å; L106-F110 PolarHBondContact O-N 3.11Å; D107-F110 CarbonylContact O-C 3.56Å |
| 111 | N | 88.7 | Confident | 85.3 | Confident | 59 Ų | 59 | 108.8 Ų | 108.8 | 32% | 0.316 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -68.6 | 127.1 | 169.6 | -170 | -45.8 | 0 | 0 | 0 | 108.3 | D107 L108 L109 N113 V114 L115 | D107-N111 WeakPolarHBondContact O-CB 3.31Å; D107-N111 PolarHBondContact O-N 3.33Å; L108-N111 WeakPolarHBondContact O-CB 3.44Å; L108-N111 PolarHBondContact O-N 2.99Å; L109-N111 PolarHBondContact O-N 3.09Å; N111-N113 PolarHBondContact O-N 3.37Å; N111-N113 VanDerWaalsContact O-N 3.09Å; N111-N113 PolarHBondContact OD1-N 2.99Å; N111-N113 VanDerWaalsContact OD1-N 3.11Å; N111-V114 HydrophobicContact CB-CB 4.38Å; N111-V114 HydrophobicContact CB-CG2 4.17Å; N111-V114 PolarHBondContact O-N 3.38Å; N111-L115 PolarHBondContact O-N 3.37Å |
| 112 | P | 89.7 | Confident | 85.7 | Confident | 74 Ų | 74 | 106.2 Ų | 106.2 | 48% | 0.481 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -51.4 | -39.9 | -178.6 | 18.9 | -32.3 | 0 | 0 | 0 | 112 | V114 L115 Y116 | P112-V114 PolarHBondContact O-N 3.22Å; P112-L115 PolarHBondContact O-N 3.13Å; P112-Y116 HydrophobicContact CB-CD2 4.4Å; P112-Y116 HydrophobicContact CB-CE2 4.01Å; P112-Y116 WeakPolarHBondContact O-CD2 2.99Å; P112-Y116 PolarHBondContact O-N 3.19Å |
| 113 | N | 90.6 | Very high | 86.2 | Confident | 118 Ų | 118 | 103.5 Ų | 103.5 | 63% | 0.631 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.4 | -40.3 | -178.5 | -66.1 | -12.7 | 0 | 0 | 0 | 112.8 | N111 | N111-N113 PolarHBondContact O-N 3.37Å; N111-N113 VanDerWaalsContact O-N 3.09Å; N111-N113 PolarHBondContact OD1-N 2.99Å; N111-N113 VanDerWaalsContact OD1-N 3.11Å |
| 114 | V | 91.3 | Very high | 87.1 | Confident | 53 Ų | 53 | 99.5 Ų | 99.5 | 32% | 0.321 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.2 | -41.5 | 179.1 | 176 | 0 | 0 | 0 | 0 | 110.2 | L108 N111 P112 Y116 V117 L118 | L108-V114 HydrophobicContact CD1-CG2 3.96Å; L108-V114 HydrophobicContact CG-CG2 4.35Å; L108-V114 VanDerWaalsContact O-CB 3.31Å; L108-V114 WeakPolarHBondContact O-CB 2.99Å; L108-V114 VanDerWaalsContact O-CG2 3.32Å; L108-V114 WeakPolarHBondContact O-CG2 3.08Å; N111-V114 HydrophobicContact CB-CB 4.38Å; N111-V114 HydrophobicContact CB-CG2 4.17Å; N111-V114 PolarHBondContact O-N 3.38Å; P112-V114 PolarHBondContact O-N 3.22Å; V114-Y116 PolarHBondContact O-N 2.69Å; V114-V117 PolarHBondContact O-N 3.28Å; V114-L118 VanDerWaalsContact O-CB 3.31Å; V114-L118 WeakPolarHBondContact O-CB 3.33Å; V114-L118 PolarHBondContact O-N 3.08Å |
| 115 | L | 92.9 | Very high | 88 | Confident | 79 Ų | 79 | 94.9 Ų | 94.9 | 41% | 0.414 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 179.1 | -168.6 | 66.6 | 0 | 0 | 0 | 111.9 | N111 P112 V117 L118 V119 | N111-L115 PolarHBondContact O-N 3.37Å; P112-L115 PolarHBondContact O-N 3.13Å; L115-V117 VanDerWaalsContact C-N 3.26Å; L115-V117 PolarHBondContact O-N 3Å; L115-L118 PolarHBondContact O-N 2.9Å; L115-V119 HydrophobicContact CD1-CG2 3.67Å; L115-V119 HydrophobicContact CG-CG2 3.89Å; L115-V119 WeakPolarHBondContact O-CB 3.36Å; L115-V119 VanDerWaalsContact O-CG2 3.22Å; L115-V119 WeakPolarHBondContact O-CG2 3.25Å; L115-V119 PolarHBondContact O-N 3.42Å |
| 116 | Y | 91.5 | Very high | 88.9 | Confident | 180 Ų | 180 | 93 Ų | 93 | 71% | 0.706 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -27.6 | 176.5 | -73.7 | -53.9 | 0 | 0 | 0 | 113.9 | P112 V114 P120 | P112-Y116 HydrophobicContact CB-CD2 4.4Å; P112-Y116 HydrophobicContact CB-CE2 4.01Å; P112-Y116 WeakPolarHBondContact O-CD2 2.99Å; P112-Y116 PolarHBondContact O-N 3.19Å; V114-Y116 PolarHBondContact O-N 2.69Å; Y116-P120 WeakPolarHBondContact O-CD 3.44Å; Y116-P120 WeakPolarHBondContact O-CG 3.4Å |
| 117 | V | 91 | Very high | 89.4 | Confident | 107 Ų | 107 | 92.2 Ų | 92.2 | 65% | 0.648 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -85.9 | -40.4 | 175.2 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | V114 L115 P120 | V114-V117 PolarHBondContact O-N 3.28Å; L115-V117 VanDerWaalsContact C-N 3.26Å; L115-V117 PolarHBondContact O-N 3Å; V117-P120 WeakPolarHBondContact O-CD 2.88Å; V117-P120 WeakPolarHBondContact O-CG 3.48Å |
| 118 | L | 91.9 | Very high | 89.5 | Confident | 77 Ų | 77 | 91 Ų | 91 | 40% | 0.403 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.7 | -40.6 | -173.8 | -171.9 | 66 | 0 | 0 | 0 | 113 | L109 V114 L115 L121 L122 | L109-L118 HydrophobicContact CD1-CD2 3.46Å; L109-L118 VanDerWaalsContact CD1-CD2 3.46Å; V114-L118 VanDerWaalsContact O-CB 3.31Å; V114-L118 WeakPolarHBondContact O-CB 3.33Å; V114-L118 PolarHBondContact O-N 3.08Å; L115-L118 PolarHBondContact O-N 2.9Å; L118-L121 PolarHBondContact O-N 3.3Å; L118-L122 WeakPolarHBondContact O-CB 3.35Å; L118-L122 PolarHBondContact O-N 2.94Å |
| 119 | V | 92.7 | Very high | 89.6 | Confident | 81 Ų | 81 | 92.4 Ų | 92.4 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.5 | -52.9 | -179.5 | 170.8 | 0 | 0 | 0 | 0 | 113 | L115 L121 L122 L123 | L115-V119 HydrophobicContact CD1-CG2 3.67Å; L115-V119 HydrophobicContact CG-CG2 3.89Å; L115-V119 WeakPolarHBondContact O-CB 3.36Å; L115-V119 VanDerWaalsContact O-CG2 3.22Å; L115-V119 WeakPolarHBondContact O-CG2 3.25Å; L115-V119 PolarHBondContact O-N 3.42Å; V119-L121 VanDerWaalsContact C-N 3.31Å; V119-L121 PolarHBondContact O-N 3Å; V119-L122 PolarHBondContact O-N 2.8Å; V119-L123 PolarHBondContact O-N 2.87Å |
| 120 | P | 92.2 | Very high | 89.6 | Confident | 66 Ų | 66 | 94.8 Ų | 94.8 | 43% | 0.429 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -35.5 | 178.9 | 24.6 | -33.6 | 0 | 0 | 0 | 112.2 | Y116 V117 L123 V124 | Y116-P120 WeakPolarHBondContact O-CD 3.44Å; Y116-P120 WeakPolarHBondContact O-CG 3.4Å; V117-P120 WeakPolarHBondContact O-CD 2.88Å; V117-P120 WeakPolarHBondContact O-CG 3.48Å; P120-L123 PolarHBondContact O-N 2.76Å; P120-V124 WeakPolarHBondContact O-CG2 3.35Å; P120-V124 PolarHBondContact O-N 3.38Å |
| 121 | L | 93 | Very high | 89.1 | Confident | 106 Ų | 106 | 91.5 Ų | 91.5 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.2 | -45.2 | 176.1 | -176.2 | 66 | 0 | 0 | 0 | 111.6 | L118 V119 L123 V124 V125 | L118-L121 PolarHBondContact O-N 3.3Å; V119-L121 VanDerWaalsContact C-N 3.31Å; V119-L121 PolarHBondContact O-N 3Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 PolarHBondContact O-N 2.79Å; L121-V124 PolarHBondContact O-N 3.45Å; L121-V125 WeakPolarHBondContact O-CG2 3.4Å; L121-V125 PolarHBondContact O-N 3.38Å |
| 122 | L | 93.5 | Very high | 88.2 | Confident | 105 Ų | 105 | 94.7 Ų | 94.7 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 176.2 | -175.4 | 65.4 | 0 | 0 | 0 | 111.3 | L118 V119 V125 I126 | L118-L122 WeakPolarHBondContact O-CB 3.35Å; L118-L122 PolarHBondContact O-N 2.94Å; V119-L122 PolarHBondContact O-N 2.8Å; L122-V125 PolarHBondContact O-N 3.13Å; L122-I126 HydrophobicContact CD1-CD1 4.48Å; L122-I126 HydrophobicContact CG-CD1 4.04Å; L122-I126 VanDerWaalsContact O-CG1 3.32Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 3.46Å |
| 123 | L | 92.8 | Very high | 86.8 | Confident | 103 Ų | 103 | 95.1 Ų | 95.1 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 178 | -161.4 | 70.3 | 0 | 0 | 0 | 111.9 | V119 P120 L121 V125 I126 L127 | V119-L123 PolarHBondContact O-N 2.87Å; P120-L123 PolarHBondContact O-N 2.76Å; L121-L123 VanDerWaalsContact C-N 3.3Å; L121-L123 PolarHBondContact O-N 2.79Å; L123-V125 VanDerWaalsContact C-N 3.34Å; L123-V125 PolarHBondContact O-N 3.37Å; L123-I126 PolarHBondContact O-N 3.22Å; L123-L127 HydrophobicContact CG-CD1 4.48Å; L123-L127 WeakPolarHBondContact O-CB 3.21Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.34Å; L123-L127 PolarHBondContact O-N 3.44Å |
| 124 | V | 90.8 | Very high | 85.1 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | P120 L121 L127 T128 | P120-V124 WeakPolarHBondContact O-CG2 3.35Å; P120-V124 PolarHBondContact O-N 3.38Å; L121-V124 PolarHBondContact O-N 3.45Å; V124-L127 PolarHBondContact O-N 3.35Å; V124-T128 HydrophobicContact CG1-CG2 4.26Å; V124-T128 WeakPolarHBondContact O-CB 3.42Å; V124-T128 VanDerWaalsContact O-CG2 3.27Å; V124-T128 WeakPolarHBondContact O-CG2 3.33Å; V124-T128 PolarHBondContact O-N 3.06Å; V124-T128 PolarHBondContact O-OG1 2.89Å |
| 125 | V | 90 | Very high | 83.3 | Confident | 67 Ų | 67 | 96.4 Ų | 96.4 | 41% | 0.406 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L121 L122 L123 T128 K129 | L121-V125 WeakPolarHBondContact O-CG2 3.4Å; L121-V125 PolarHBondContact O-N 3.38Å; L122-V125 PolarHBondContact O-N 3.13Å; L123-V125 VanDerWaalsContact C-N 3.34Å; L123-V125 PolarHBondContact O-N 3.37Å; V125-T128 WeakPolarHBondContact CA-OG1 3.25Å; V125-T128 PolarHBondContact O-N 2.78Å; V125-T128 PolarHBondContact O-OG1 3.26Å; V125-K129 HydrophobicContact CG1-CG 4.31Å; V125-K129 WeakPolarHBondContact O-CB 3.41Å; V125-K129 WeakPolarHBondContact O-CG 3.46Å; V125-K129 PolarHBondContact O-N 2.96Å |
| 126 | I | 89.9 | Confident | 81.7 | Confident | 79 Ų | 79 | 97.3 Ų | 97.3 | 41% | 0.405 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 176.9 | -67.5 | 165.6 | 0 | 0 | 0 | 110.4 | L122 L123 K129 L130 | L122-I126 HydrophobicContact CD1-CD1 4.48Å; L122-I126 HydrophobicContact CG-CD1 4.04Å; L122-I126 VanDerWaalsContact O-CG1 3.32Å; L122-I126 WeakPolarHBondContact O-CG1 3.26Å; L122-I126 PolarHBondContact O-N 3.46Å; L123-I126 PolarHBondContact O-N 3.22Å; I126-K129 PolarHBondContact O-N 2.88Å; I126-L130 HydrophobicContact CG2-CD1 3.82Å; I126-L130 HydrophobicContact CG2-CG 4.25Å; I126-L130 WeakPolarHBondContact O-CB 3.33Å; I126-L130 VanDerWaalsContact O-CG 3.29Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 2.82Å |
| 127 | L | 87.1 | Confident | 80.3 | Confident | 97 Ų | 97 | 91 Ų | 91 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -50.3 | 177.5 | -72.6 | 172 | 0 | 0 | 0 | 111.6 | L123 V124 K129 L130 V131 | L123-L127 HydrophobicContact CG-CD1 4.48Å; L123-L127 WeakPolarHBondContact O-CB 3.21Å; L123-L127 VanDerWaalsContact O-CG 3.3Å; L123-L127 WeakPolarHBondContact O-CG 3.34Å; L123-L127 PolarHBondContact O-N 3.44Å; V124-L127 PolarHBondContact O-N 3.35Å; L127-K129 VanDerWaalsContact C-N 3.27Å; L127-K129 PolarHBondContact O-N 3.03Å; L127-L130 PolarHBondContact O-N 3.32Å; L127-V131 WeakPolarHBondContact O-CG1 3.41Å; L127-V131 WeakPolarHBondContact O-CG2 3.12Å; L127-V131 PolarHBondContact O-N 3.05Å |
| 128 | T | 83.2 | Confident | 78.8 | Confident | 61 Ų | 61 | 88.5 Ų | 88.5 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.4 | -33.3 | 178.4 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | V124 V125 V131 N132 | V124-T128 HydrophobicContact CG1-CG2 4.26Å; V124-T128 WeakPolarHBondContact O-CB 3.42Å; V124-T128 VanDerWaalsContact O-CG2 3.27Å; V124-T128 WeakPolarHBondContact O-CG2 3.33Å; V124-T128 PolarHBondContact O-N 3.06Å; V124-T128 PolarHBondContact O-OG1 2.89Å; V125-T128 WeakPolarHBondContact CA-OG1 3.25Å; V125-T128 PolarHBondContact O-N 2.78Å; V125-T128 PolarHBondContact O-OG1 3.26Å; T128-V131 WeakPolarHBondContact O-CG2 3.5Å; T128-N132 WeakPolarHBondContact O-CB 3.45Å; T128-N132 VanDerWaalsContact O-CG 3.24Å; T128-N132 PolarHBondContact O-N 2.61Å; T128-N132 VanDerWaalsContact O-N 3.13Å; T128-N132 PolarHBondContact O-ND2 3.19Å |
| 129 | K | 83.8 | Confident | 77.2 | Confident | 135 Ų | 135 | 90.2 Ų | 90.2 | 59% | 0.587 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.2 | -41.9 | 174.4 | -70.7 | -74.5 | -179.9 | 179.9 | 0 | 112 | V125 I126 L127 T133 | V125-K129 HydrophobicContact CG1-CG 4.31Å; V125-K129 WeakPolarHBondContact O-CB 3.41Å; V125-K129 WeakPolarHBondContact O-CG 3.46Å; V125-K129 PolarHBondContact O-N 2.96Å; I126-K129 PolarHBondContact O-N 2.88Å; L127-K129 VanDerWaalsContact C-N 3.27Å; L127-K129 PolarHBondContact O-N 3.03Å; K129-T133 WeakPolarHBondContact O-CB 3.49Å; K129-T133 PolarHBondContact O-N 3.32Å; K129-T133 PolarHBondContact O-OG1 2.9Å |
| 130 | L | 81.1 | Confident | 75.7 | Confident | 119 Ų | 119 | 93.5 Ų | 93.5 | 62% | 0.623 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 178.1 | -70.1 | 174.9 | 0 | 0 | 0 | 111.9 | I126 L127 | I126-L130 HydrophobicContact CG2-CD1 3.82Å; I126-L130 HydrophobicContact CG2-CG 4.25Å; I126-L130 WeakPolarHBondContact O-CB 3.33Å; I126-L130 VanDerWaalsContact O-CG 3.29Å; I126-L130 WeakPolarHBondContact O-CG 3.41Å; I126-L130 PolarHBondContact O-N 2.82Å; L127-L130 PolarHBondContact O-N 3.32Å |
| 131 | V | 74.6 | Confident | 74.3 | Confident | 74 Ų | 74 | 96.3 Ų | 96.3 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -73.1 | -33.5 | 178.4 | -57.6 | 0 | 0 | 0 | 0 | 113.4 | L127 T128 | L127-V131 WeakPolarHBondContact O-CG1 3.41Å; L127-V131 WeakPolarHBondContact O-CG2 3.12Å; L127-V131 PolarHBondContact O-N 3.05Å; T128-V131 WeakPolarHBondContact O-CG2 3.5Å |
| 132 | N | 68.9 | Low | 72.7 | Confident | 126 Ų | 126 | 95.3 Ų | 95.3 | 67% | 0.674 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -83.8 | -23.5 | -178.4 | -74.9 | -39 | 0 | 0 | 0 | 113.8 | T128 | T128-N132 WeakPolarHBondContact O-CB 3.45Å; T128-N132 VanDerWaalsContact O-CG 3.24Å; T128-N132 PolarHBondContact O-N 2.61Å; T128-N132 VanDerWaalsContact O-N 3.13Å; T128-N132 PolarHBondContact O-ND2 3.19Å |
| 133 | T | 59.9 | Low | 71.1 | Confident | 83 Ų | 83 | 97.5 Ų | 97.5 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -95.4 | -23.8 | -163.2 | -49.6 | 0 | 0 | 0 | 0 | 114.7 | K129 | K129-T133 WeakPolarHBondContact O-CB 3.49Å; K129-T133 PolarHBondContact O-N 3.32Å; K129-T133 PolarHBondContact O-OG1 2.9Å |
| 134 | N | 55.7 | Low | 69.7 | Low | 121 Ų | 121 | 100.8 Ų | 100.8 | 65% | 0.647 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -146.5 | 25.9 | -160.1 | -68.3 | -65.1 | 0 | 0 | 0 | 120.6 | ||
| 135 | D | 53.6 | Low | 68 | Low | 77 Ų | 77 | 102.1 Ų | 102.1 | 41% | 0.412 | 53% | 0.53 | S | S | . | . | trans | -161.7 | 122.9 | 162.9 | -131.5 | -37.5 | 0 | 0 | 0 | 118.1 | S137 V138 Q139 | D135-S137 WeakPolarHBondContact CB-OG 3.35Å; D135-S137 PolarHBondContact O-N 2.94Å; D135-S137 WeakPolarHBondContact OD1-CB 3.06Å; D135-S137 PolarHBondContact OD1-N 3.47Å; D135-S137 PolarHBondContact OD1-OG 2.82Å; D135-S137 PolarHBondContact OD2-OG 2.82Å; D135-V138 HydrophobicContact CB-CB 4.09Å; D135-V138 HydrophobicContact CB-CG2 3.75Å; D135-V138 PolarHBondContact O-N 3.18Å; D135-Q139 PolarHBondContact O-N 2.85Å | ||
| 136 | P | 58.8 | Low | 66.2 | Low | 98 Ų | 98 | 104.1 Ų | 104.1 | 64% | 0.636 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -14.2 | 163.1 | 26.4 | -34 | 0 | 0 | 0 | 113.3 | K140 | P136-K140 WeakPolarHBondContact O-CG 3.48Å; P136-K140 PolarHBondContact O-N 2.86Å |
| 137 | S | 61 | Low | 64.6 | Low | 48 Ų | 48 | 106.1 Ų | 106.1 | 34% | 0.336 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -71.8 | -44.3 | 170.9 | 73.6 | 0 | 0 | 0 | 0 | 111.8 | D135 Q139 K140 E141 | D135-S137 WeakPolarHBondContact CB-OG 3.35Å; D135-S137 PolarHBondContact O-N 2.94Å; D135-S137 WeakPolarHBondContact OD1-CB 3.06Å; D135-S137 PolarHBondContact OD1-N 3.47Å; D135-S137 PolarHBondContact OD1-OG 2.82Å; D135-S137 PolarHBondContact OD2-OG 2.82Å; S137-Q139 PolarHBondContact O-N 2.81Å; S137-K140 WeakPolarHBondContact O-CB 3.3Å; S137-K140 PolarHBondContact O-N 3.29Å; S137-K140 VanDerWaalsContact O-N 3.11Å; S137-E141 PolarHBondContact O-N 2.89Å |
| 138 | V | 60 | Low | 63 | Low | 54 Ų | 54 | 106.9 Ų | 106.9 | 33% | 0.327 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.4 | -33.9 | 179.5 | 176 | 0 | 0 | 0 | 0 | 111.2 | D135 K140 E141 M142 | D135-V138 HydrophobicContact CB-CB 4.09Å; D135-V138 HydrophobicContact CB-CG2 3.75Å; D135-V138 PolarHBondContact O-N 3.18Å; V138-K140 VanDerWaalsContact C-N 3.33Å; V138-E141 PolarHBondContact O-N 2.75Å; V138-M142 HydrophobicContact CG1-SD 4.36Å; V138-M142 VanDerWaalsContact O-CB 3.32Å; V138-M142 WeakPolarHBondContact O-CB 3.34Å; V138-M142 PolarHBondContact O-N 3.5Å |
| 139 | Q | 57.8 | Low | 61.5 | Low | 113 Ų | 113 | 108.4 Ų | 108.4 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.5 | -35 | 171.4 | -69 | -176.8 | 23.7 | 0 | 0 | 112.3 | D135 S137 Q143 | D135-Q139 PolarHBondContact O-N 2.85Å; S137-Q139 PolarHBondContact O-N 2.81Å; Q139-Q143 VanDerWaalsContact O-CB 3.31Å; Q139-Q143 WeakPolarHBondContact O-CB 3.38Å; Q139-Q143 WeakPolarHBondContact O-CG 3.14Å; Q139-Q143 PolarHBondContact O-N 3.47Å |
| 140 | K | 63 | Low | 60 | Low | 149 Ų | 149 | 107.9 Ų | 107.9 | 65% | 0.648 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.4 | -38.2 | 173.9 | -80.7 | 177.5 | 179.7 | 176.3 | 0 | 111.8 | P136 S137 V138 Q143 Q144 | P136-K140 WeakPolarHBondContact O-CG 3.48Å; P136-K140 PolarHBondContact O-N 2.86Å; S137-K140 WeakPolarHBondContact O-CB 3.3Å; S137-K140 PolarHBondContact O-N 3.29Å; S137-K140 VanDerWaalsContact O-N 3.11Å; V138-K140 VanDerWaalsContact C-N 3.33Å; K140-Q143 PolarHBondContact O-N 3.41Å; K140-Q144 VanDerWaalsContact O-CB 3.26Å; K140-Q144 WeakPolarHBondContact O-CB 3.45Å; K140-Q144 PolarHBondContact O-N 3.44Å |
| 141 | E | 62.4 | Low | 58.4 | Low | 126 Ų | 126 | 110.3 Ų | 110.3 | 59% | 0.589 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.8 | -35 | 174.2 | -69.6 | -177.6 | -177.8 | 0 | 0 | 112.3 | S137 V138 Q144 M145 | S137-E141 PolarHBondContact O-N 2.89Å; V138-E141 PolarHBondContact O-N 2.75Å; E141-Q144 CarbonylContact O-C 3.55Å; E141-Q144 PolarHBondContact O-N 2.81Å; E141-M145 VanDerWaalsContact O-CB 3.25Å; E141-M145 WeakPolarHBondContact O-CB 3.44Å; E141-M145 WeakPolarHBondContact O-CG 3.44Å; E141-M145 PolarHBondContact O-N 3.22Å |
| 142 | M | 58.5 | Low | 57 | Low | 84 Ų | 84 | 114 Ų | 114 | 41% | 0.414 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -70.7 | -31.8 | 171.4 | -97.4 | 167.7 | 78.1 | 0 | 0 | 112.9 | V138 Q144 M145 L148 | V138-M142 HydrophobicContact CG1-SD 4.36Å; V138-M142 VanDerWaalsContact O-CB 3.32Å; V138-M142 WeakPolarHBondContact O-CB 3.34Å; V138-M142 PolarHBondContact O-N 3.5Å; M142-Q144 VanDerWaalsContact C-N 3.3Å; M142-M145 CarbonylContact O-C 3.51Å; M142-L148 HydrophobicContact CB-CD1 3.8Å; M142-L148 HydrophobicContact CE-CD1 3.51Å; M142-L148 HydrophobicContact CE-CD2 4.25Å; M142-L148 HydrophobicContact CE-CG 4.42Å; M142-L148 HydrophobicContact CG-CD1 3.95Å |
| 143 | Q | 60.9 | Low | 55.9 | Low | 152 Ų | 152 | 116.8 Ų | 116.8 | 71% | 0.71 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.5 | -26.7 | 172.1 | -75.2 | 169.2 | 20.5 | 0 | 0 | 111.9 | Q139 K140 | Q139-Q143 VanDerWaalsContact O-CB 3.31Å; Q139-Q143 WeakPolarHBondContact O-CB 3.38Å; Q139-Q143 WeakPolarHBondContact O-CG 3.14Å; Q139-Q143 PolarHBondContact O-N 3.47Å; K140-Q143 PolarHBondContact O-N 3.41Å |
| 144 | Q | 63 | Low | 55.7 | Low | 171 Ų | 171 | 119.6 Ų | 119.6 | 80% | 0.799 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -85.6 | -26.2 | 175.9 | -159.6 | 161.8 | 80.3 | 0 | 0 | 112.1 | K140 E141 M142 N146 | K140-Q144 VanDerWaalsContact O-CB 3.26Å; K140-Q144 WeakPolarHBondContact O-CB 3.45Å; K140-Q144 PolarHBondContact O-N 3.44Å; E141-Q144 CarbonylContact O-C 3.55Å; E141-Q144 PolarHBondContact O-N 2.81Å; M142-Q144 VanDerWaalsContact C-N 3.3Å; Q144-N146 PolarHBondContact O-N 2.94Å |
| 145 | M | 54.3 | Low | 55.7 | Low | 111 Ų | 111 | 118.4 Ų | 118.4 | 55% | 0.547 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -83.9 | 94.7 | 166.6 | -72.2 | -79 | -99.2 | 0 | 0 | 108.8 | E141 M142 I147 | E141-M145 VanDerWaalsContact O-CB 3.25Å; E141-M145 WeakPolarHBondContact O-CB 3.44Å; E141-M145 WeakPolarHBondContact O-CG 3.44Å; E141-M145 PolarHBondContact O-N 3.22Å; M142-M145 CarbonylContact O-C 3.51Å; M145-I147 HydrophobicContact CB-CD1 4.33Å; M145-I147 HydrophobicContact CB-CG1 4.4Å; M145-I147 HydrophobicContact CE-CD1 3.43Å; M145-I147 VanDerWaalsContact CE-CD1 3.43Å; M145-I147 PolarHBondContact O-N 3.09Å; M145-I147 HydrophobicContact SD-CD1 4.1Å |
| 146 | N | 53.1 | Low | 55.6 | Low | 109 Ų | 109 | 119.4 Ų | 119.4 | 58% | 0.583 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -57 | 22.9 | 169.9 | -171.6 | 48.7 | 0 | 0 | 0 | 114.8 | Q144 N149 | Q144-N146 PolarHBondContact O-N 2.94Å; N146-N149 WeakPolarHBondContact OD1-CB 3.39Å; N146-N149 PolarHBondContact OD1-ND2 3.23Å |
| 147 | I | 56.4 | Low | 55.6 | Low | 120 Ų | 120 | 121.6 Ų | 121.6 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -74.8 | -14 | 172.3 | -65.2 | 175.8 | 0 | 0 | 0 | 111.3 | M145 | M145-I147 HydrophobicContact CB-CD1 4.33Å; M145-I147 HydrophobicContact CB-CG1 4.4Å; M145-I147 HydrophobicContact CE-CD1 3.43Å; M145-I147 VanDerWaalsContact CE-CD1 3.43Å; M145-I147 PolarHBondContact O-N 3.09Å; M145-I147 HydrophobicContact SD-CD1 4.1Å |
| 148 | L | 54.1 | Low | 55.7 | Low | 113 Ų | 113 | 121.9 Ų | 121.9 | 59% | 0.592 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -95.9 | 16.3 | 176.6 | -71.9 | 151.6 | 0 | 0 | 0 | 113.7 | M142 P150 | M142-L148 HydrophobicContact CB-CD1 3.8Å; M142-L148 HydrophobicContact CE-CD1 3.51Å; M142-L148 HydrophobicContact CE-CD2 4.25Å; M142-L148 HydrophobicContact CE-CG 4.42Å; M142-L148 HydrophobicContact CG-CD1 3.95Å; L148-P150 WeakPolarHBondContact O-CD 3.39Å |
| 149 | N | 49.6 | Very low | 55.9 | Low | 93 Ų | 93 | 125.9 Ų | 125.9 | 50% | 0.497 | 63% | 0.634 | S | S | . | * | trans | -93.5 | 101.8 | 168 | -123.7 | -23.3 | 0 | 0 | 0 | 108.8 | N146 Q151 | N146-N149 WeakPolarHBondContact OD1-CB 3.39Å; N146-N149 PolarHBondContact OD1-ND2 3.23Å; N149-Q151 PolarHBondContact O-N 3.38Å | ||
| 150 | P | 52.8 | Low | 56.4 | Low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 28.6 | -172.4 | 30 | -36.8 | 0 | 0 | 0 | 114.6 | L148 | L148-P150 WeakPolarHBondContact O-CD 3.39Š|
| 151 | Q | 47.2 | Very low | 56.5 | Low | 169 Ų | 169 | 126 Ų | 126 | 79% | 0.79 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.5 | -7.1 | -168.6 | -82.6 | -96.4 | -14 | 0 | 0 | 114.9 | N149 | N149-Q151 PolarHBondContact O-N 3.38Š|
| 152 | Q | 46.7 | Very low | 56.4 | Low | 153 Ų | 153 | 123 Ų | 123 | 72% | 0.715 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -139.2 | 102.4 | -177 | -69.6 | -177.5 | -38.1 | 0 | 0 | 112.1 | ||
| 153 | Q | 45.8 | Very low | 56.5 | Low | 183 Ų | 183 | 122.1 Ų | 122.1 | 86% | 0.855 | 63% | 0.634 | S | S | * | * | trans | 69.2 | 53.4 | 153.1 | -51.2 | 169.8 | 34.4 | 0 | 0 | 116.4 | ||||
| 154 | L | 54.9 | Low | 56.5 | Low | 142 Ų | 142 | 121.2 Ų | 121.2 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 124.1 | 152.7 | -73.8 | 164.5 | 0 | 0 | 0 | 107.1 | D156 | L154-D156 PolarHBondContact O-N 2.97Å; L154-D156 VanDerWaalsContact O-N 3.09Å |
| 155 | P | 56.6 | Low | 56.3 | Low | 97 Ų | 97 | 116.7 Ų | 116.7 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 122.6 | 172.2 | 22.7 | -28.5 | 0 | 0 | 0 | 106.5 | M157 | P155-M157 PolarHBondContact O-N 3.03Š|
| 156 | D | 51.9 | Low | 56.2 | Low | 98 Ų | 98 | 118.7 Ų | 118.7 | 52% | 0.524 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -47.4 | 118.8 | -174.2 | -173.6 | 0.3 | 0 | 0 | 0 | 108.1 | L154 S158 E159 | L154-D156 PolarHBondContact O-N 2.97Å; L154-D156 VanDerWaalsContact O-N 3.09Å; D156-S158 VanDerWaalsContact CG-CB 3.48Å; D156-S158 PolarHBondContact O-N 3.03Å; D156-S158 VanDerWaalsContact OD1-CB 3.29Å; D156-S158 WeakPolarHBondContact OD1-CB 3.39Å; D156-S158 PolarHBondContact OD1-N 3.47Å; D156-S158 VanDerWaalsContact OD1-N 3.12Å; D156-S158 PolarHBondContact OD1-OG 2.86Å; D156-S158 WeakPolarHBondContact OD2-CB 3.49Å; D156-S158 PolarHBondContact OD2-OG 3.13Å; D156-E159 HydrophobicContact CB-CG 4.42Å; D156-E159 PolarHBondContact O-N 2.81Å |
| 157 | M | 58 | Low | 56.1 | Low | 143 Ų | 143 | 123.1 Ų | 123.1 | 70% | 0.704 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -58.6 | -18.7 | 179.5 | -61 | -146 | 86.1 | 0 | 0 | 110.3 | P155 E159 F160 L161 | P155-M157 PolarHBondContact O-N 3.03Å; M157-E159 VanDerWaalsContact C-N 3.34Å; M157-F160 PolarHBondContact O-N 3.13Å; M157-L161 VanDerWaalsContact O-CB 3.32Å; M157-L161 WeakPolarHBondContact O-CB 3.31Å; M157-L161 WeakPolarHBondContact O-CG 3.48Å; M157-L161 PolarHBondContact O-N 3.44Å |
| 158 | S | 63.5 | Low | 55.6 | Low | 54 Ų | 54 | 120.2 Ų | 120.2 | 38% | 0.378 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -58.5 | -38.3 | 167.3 | 92.4 | 0 | 0 | 0 | 0 | 113 | D156 S162 | D156-S158 VanDerWaalsContact CG-CB 3.48Å; D156-S158 PolarHBondContact O-N 3.03Å; D156-S158 VanDerWaalsContact OD1-CB 3.29Å; D156-S158 WeakPolarHBondContact OD1-CB 3.39Å; D156-S158 PolarHBondContact OD1-N 3.47Å; D156-S158 VanDerWaalsContact OD1-N 3.12Å; D156-S158 PolarHBondContact OD1-OG 2.86Å; D156-S158 WeakPolarHBondContact OD2-CB 3.49Å; D156-S158 PolarHBondContact OD2-OG 3.13Å; S158-S162 WeakPolarHBondContact O-CA 3.4Å; S158-S162 WeakPolarHBondContact O-CB 3.4Å; S158-S162 PolarHBondContact O-N 2.85Å; S158-S162 PolarHBondContact O-OG 2.81Å |
| 159 | E | 63.9 | Low | 54.9 | Low | 138 Ų | 138 | 117.8 Ų | 117.8 | 65% | 0.645 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -75.1 | -31.2 | 178 | -68.1 | -162 | 173.3 | 0 | 0 | 112.5 | D156 M157 S163 | D156-E159 HydrophobicContact CB-CG 4.42Å; D156-E159 PolarHBondContact O-N 2.81Å; M157-E159 VanDerWaalsContact C-N 3.34Å; E159-S163 VanDerWaalsContact O-CB 3.31Å; E159-S163 WeakPolarHBondContact O-CB 3.32Å; E159-S163 PolarHBondContact O-N 2.95Å; E159-S163 PolarHBondContact O-OG 3.42Å |
| 160 | F | 67.9 | Low | 54.3 | Low | 146 Ų | 146 | 121 Ų | 121 | 64% | 0.64 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74.2 | -40.4 | 174.8 | -130.5 | -85.9 | 0 | 0 | 0 | 111.6 | M157 S162 S163 L164 | M157-F160 PolarHBondContact O-N 3.13Å; F160-S162 VanDerWaalsContact C-N 3.34Å; F160-S163 WeakPolarHBondContact CA-OG 3.44Å; F160-S163 PolarHBondContact O-N 2.84Å; F160-S163 PolarHBondContact O-OG 2.8Å; F160-L164 WeakPolarHBondContact O-CB 3.41Å; F160-L164 PolarHBondContact O-N 3.35Å |
| 161 | L | 64.4 | Low | 54 | Low | 118 Ų | 118 | 122 Ų | 122 | 62% | 0.618 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -68.2 | -36.4 | 171.6 | -67.8 | 172.2 | 0 | 0 | 0 | 111.2 | M157 L164 S165 | M157-L161 VanDerWaalsContact O-CB 3.32Å; M157-L161 WeakPolarHBondContact O-CB 3.31Å; M157-L161 WeakPolarHBondContact O-CG 3.48Å; M157-L161 PolarHBondContact O-N 3.44Å; L161-L164 PolarHBondContact O-N 3.47Å; L161-S165 WeakPolarHBondContact O-CB 3.21Å; L161-S165 PolarHBondContact O-N 3Å; L161-S165 PolarHBondContact O-OG 2.58Å |
| 162 | S | 61.2 | Low | 53.5 | Low | 65 Ų | 65 | 123.8 Ų | 123.8 | 46% | 0.455 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -65.3 | -40.2 | 173.5 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | S158 F160 S165 L166 | S158-S162 WeakPolarHBondContact O-CA 3.4Å; S158-S162 WeakPolarHBondContact O-CB 3.4Å; S158-S162 PolarHBondContact O-N 2.85Å; S158-S162 PolarHBondContact O-OG 2.81Å; F160-S162 VanDerWaalsContact C-N 3.34Å; S162-S165 VanDerWaalsContact C-OG 3.27Å; S162-S165 WeakPolarHBondContact CA-OG 3.46Å; S162-S165 CarbonylContact O-C 3.57Å; S162-S165 PolarHBondContact O-N 2.82Å; S162-S165 PolarHBondContact O-OG 3.44Å; S162-L166 PolarHBondContact O-N 2.9Å |
| 163 | S | 60.5 | Low | 53.3 | Low | 65 Ų | 65 | 126.4 Ų | 126.4 | 46% | 0.455 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -74.4 | -31.6 | 177.6 | 61.8 | 0 | 0 | 0 | 0 | 113.1 | E159 F160 L166 | E159-S163 VanDerWaalsContact O-CB 3.31Å; E159-S163 WeakPolarHBondContact O-CB 3.32Å; E159-S163 PolarHBondContact O-N 2.95Å; E159-S163 PolarHBondContact O-OG 3.42Å; F160-S163 WeakPolarHBondContact CA-OG 3.44Å; F160-S163 PolarHBondContact O-N 2.84Å; F160-S163 PolarHBondContact O-OG 2.8Å; S163-L166 WeakPolarHBondContact O-CB 3.42Å; S163-L166 PolarHBondContact O-N 3.44Å |
| 164 | L | 61.1 | Low | 53 | Low | 133 Ų | 133 | 124.5 Ų | 124.5 | 70% | 0.696 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -71.3 | -34.3 | 170.3 | -164.3 | 69.8 | 0 | 0 | 0 | 111.8 | F160 L161 L166 F167 | F160-L164 WeakPolarHBondContact O-CB 3.41Å; F160-L164 PolarHBondContact O-N 3.35Å; L161-L164 PolarHBondContact O-N 3.47Å; L164-L166 PolarHBondContact O-N 3.43Å; L164-F167 PolarHBondContact O-N 2.87Å |
| 165 | S | 59.5 | Low | 52.3 | Low | 75 Ų | 75 | 125.2 Ų | 125.2 | 52% | 0.524 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -73.3 | -8.6 | 169.9 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | L161 S162 | L161-S165 WeakPolarHBondContact O-CB 3.21Å; L161-S165 PolarHBondContact O-N 3Å; L161-S165 PolarHBondContact O-OG 2.58Å; S162-S165 VanDerWaalsContact C-OG 3.27Å; S162-S165 WeakPolarHBondContact CA-OG 3.46Å; S162-S165 CarbonylContact O-C 3.57Å; S162-S165 PolarHBondContact O-N 2.82Å; S162-S165 PolarHBondContact O-OG 3.44Å |
| 166 | L | 51.6 | Low | 51.6 | Low | 154 Ų | 154 | 126.5 Ų | 126.5 | 81% | 0.806 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -85.1 | -10.7 | 172.9 | -145.1 | 83.4 | 0 | 0 | 0 | 113 | S162 S163 L164 G168 | S162-L166 PolarHBondContact O-N 2.9Å; S163-L166 WeakPolarHBondContact O-CB 3.42Å; S163-L166 PolarHBondContact O-N 3.44Å; L164-L166 PolarHBondContact O-N 3.43Å; L166-G168 VanDerWaalsContact C-N 3.28Å |
| 167 | F | 51.5 | Low | 51.3 | Low | 202 Ų | 202 | 128.5 Ų | 128.5 | 89% | 0.886 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -87.5 | 3.5 | 170.9 | -158.4 | -103.5 | 0 | 0 | 0 | 112.8 | L164 | L164-F167 PolarHBondContact O-N 2.87Š|
| 168 | G | 44.2 | Very low | 50.4 | Low | 59 Ų | 59 | 127.5 Ų | 127.5 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -150.6 | 81.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L166 | L166-G168 VanDerWaalsContact C-N 3.28Š|
| 169 | G | 39.3 | Very low | 49.4 | Very low | 62 Ų | 62 | 131.2 Ų | 131.2 | 64% | 0.639 | 73% | 0.73 | S | S | * | * | trans | 93.3 | 96.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 170 | N | 38.4 | Very low | 48.5 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 73% | 0.733 | S | S | * | * | trans | 15.2 | 114.5 | 148.4 | -65.6 | 31.4 | 0 | 0 | 0 | 118.9 | ||||
| 171 | T | 45.7 | Very low | 47.4 | Very low | 146 Ų | 146 | 132.1 Ų | 132.1 | 90% | 0.896 | 74% | 0.738 | S | S | * | * | -160 | 126.6 | 122.7 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 172 | K | 38 | Very low | 46.3 | Very low | 208 Ų | 208 | 137.2 Ų | 137.2 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | trans | -83.9 | 129.1 | 168.7 | -66.4 | 175.8 | 177.8 | 179.7 | 0 | 109.1 | ||||
| 173 | K | 41.5 | Very low | 45.3 | Very low | 208 Ų | 208 | 144 Ų | 144 | 90% | 0.904 | 77% | 0.77 | S | S | * | * | trans | -143.4 | 128.4 | 151.5 | -83.2 | -166 | 179.9 | 176.5 | 0 | 111.2 | ||||
| 174 | T | 40 | Very low | 44.4 | Very low | 143 Ų | 143 | 146.8 Ų | 146.8 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 144 | -177.6 | 37.8 | 0 | 0 | 0 | 0 | 112.2 | ||
| 175 | N | 40.3 | Very low | 43.4 | Very low | 156 Ų | 156 | 144.6 Ų | 144.6 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 157.3 | -178.3 | -71.7 | -29.2 | 0 | 0 | 0 | 115.5 | ||
| 176 | P | 41.3 | Very low | 42.6 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 140.2 | 160.9 | 35.8 | -25 | 0 | 0 | 0 | 112.1 | ||
| 177 | T | 44.8 | Very low | 42 | Very low | 140 Ų | 140 | 150.4 Ų | 150.4 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | trans | -119.9 | 144.8 | 171.6 | -43.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 178 | T | 39.1 | Very low | 41.6 | Very low | 122 Ų | 122 | 149.1 Ų | 149.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | trans | -85.5 | 162.8 | -161.5 | -37.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 179 | I | 43.3 | Very low | 41.5 | Very low | 133 Ų | 133 | 156.3 Ų | 156.3 | 68% | 0.682 | 81% | 0.808 | S | S | * | * | trans | 84.4 | 105.6 | 150.7 | -28.9 | -178.9 | 0 | 0 | 0 | 119.5 | ||||
| 180 | N | 45.2 | Very low | 42 | Very low | 132 Ų | 132 | 161.7 Ų | 161.7 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | 166 | 118 | 107.2 | -91.9 | -54.9 | 0 | 0 | 0 | 115.3 | |||||
| 181 | K | 44.1 | Very low | 42.5 | Very low | 171 Ų | 171 | 159.8 Ų | 159.8 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | 41.4 | 118.8 | 130 | -88.1 | 177.1 | -178.9 | 170.6 | 0 | 121.4 | |||||
| 182 | R | 41.8 | Very low | 42.6 | Very low | 224 Ų | 224 | 159.4 Ų | 159.4 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | 121.9 | 111.4 | 125.2 | -78.2 | 168.7 | 172.5 | 176.1 | -2.3 | 117.1 | |||||
| 183 | K | 41.1 | Very low | 42.8 | Very low | 207 Ų | 207 | 157 Ų | 157 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | trans | 25.1 | 122.1 | 135.6 | -68.5 | -177.2 | 174.1 | -175.1 | 0 | 117.8 | ||||
| 184 | S | 40.1 | Very low | 43.1 | Very low | 125 Ų | 125 | 152.5 Ų | 152.5 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | 175.7 | 153.5 | 89.2 | -158.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 185 | A | 41.4 | Very low | 43.4 | Very low | 86 Ų | 86 | 150.6 Ų | 150.6 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | trans | -65.6 | 152.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 186 | E | 41 | Very low | 43.4 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | -172.4 | 153.3 | 121.6 | -159.7 | 57.6 | -135.5 | 0 | 0 | 110 | |||||
| 187 | K | 39.7 | Very low | 43.8 | Very low | 172 Ų | 172 | 148.5 Ų | 148.5 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -100.4 | 142.7 | -158.3 | 175 | -174.2 | -177.1 | -174.8 | 0 | 111.1 | ||||
| 188 | H | 43.6 | Very low | 43.8 | Very low | 175 Ų | 175 | 147.4 Ų | 147.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | 171 | 103.4 | 146.7 | -110.4 | -108.5 | 0 | 0 | 0 | 108.9 | ||||
| 189 | R | 41.2 | Very low | 44.2 | Very low | 209 Ų | 209 | 150.3 Ų | 150.3 | 79% | 0.789 | 80% | 0.798 | S | S | * | * | 73.7 | 104.1 | 75.1 | -167.9 | -174.3 | 164.5 | -164 | -5.2 | 115.1 | |||||
| 190 | Q | 50.1 | Low | 44.5 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | trans | 161 | 104.3 | 138.7 | -95.3 | 173.8 | -12.9 | 0 | 0 | 107.1 | ||||
| 191 | V | 49.3 | Very low | 44.9 | Very low | 119 Ų | 119 | 148.7 Ų | 148.7 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | 45.1 | 102.8 | 70.9 | -168 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 192 | T | 47.1 | Very low | 45.1 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | -175.2 | 156.6 | 117 | 30.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 193 | N | 42.8 | Very low | 45.2 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 84% | 0.84 | 81% | 0.806 | S | S | * | * | trans | -96.7 | 156.6 | -156.3 | -59.8 | -43.2 | 0 | 0 | 0 | 113.7 | ||||
| 194 | S | 48.5 | Very low | 45.4 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 178.9 | 104.2 | 137.8 | 35.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 195 | A | 44.8 | Very low | 45.9 | Very low | 104 Ų | 104 | 143.7 Ų | 143.7 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | 42.4 | 110 | 86.9 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 196 | G | 40.9 | Very low | 46.2 | Very low | 67 Ų | 67 | 145.3 Ų | 145.3 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | cis | 120.3 | 135.7 | 31.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 197 | I | 49.7 | Very low | 46.6 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 86% | 0.862 | 79% | 0.794 | S | S | * | * | trans | 101.2 | 96.5 | 174.5 | -50.4 | 156.4 | 0 | 0 | 0 | 114.1 | E199 | I197-E199 HydrophobicContact CG2-CG 4.35Š| ||
| 198 | S | 44.4 | Very low | 47 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | trans | -111.2 | 114 | 162.6 | 164 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 199 | E | 48.2 | Very low | 47.3 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | trans | -103.3 | 126.6 | 166.4 | -76.6 | -172.7 | 154.3 | 0 | 0 | 108.5 | I197 | I197-E199 HydrophobicContact CG2-CG 4.35Š| ||
| 200 | S | 49.3 | Very low | 47.6 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | trans | -112.6 | 121 | -179.9 | -160.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 201 | P | 53 | Low | 47.3 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 136.2 | 176.4 | 31.6 | -26.9 | 0 | 0 | 0 | 111.5 | ||
| 202 | S | 49.1 | Very low | 47.2 | Very low | 110 Ų | 110 | 132 Ų | 132 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 141.8 | -179 | -53.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 203 | Q | 44.9 | Very low | 47 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 126.4 | 173.6 | -64.9 | -122.7 | 27 | 0 | 0 | 111.6 | ||
| 204 | Y | 43.8 | Very low | 47.1 | Very low | 217 Ų | 217 | 130.7 Ų | 130.7 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | trans | -111.9 | 108.6 | 156.9 | -84.7 | -85.1 | 0 | 0 | 0 | 108.3 | T206 | Y204-T206 PolarHBondContact O-N 2.87Š| ||
| 205 | T | 50.7 | Low | 46.7 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -79.3 | 108.9 | 172.6 | -56.9 | 0 | 0 | 0 | 0 | 109.4 | V207 | T205-V207 HydrophobicContact CG2-CG2 4.33Š| ||
| 206 | T | 48.1 | Very low | 47.1 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -87.5 | 116.8 | 164.7 | -63 | 0 | 0 | 0 | 0 | 108.1 | Y204 S208 | Y204-T206 PolarHBondContact O-N 2.87Å; T206-S208 PolarHBondContact O-N 3.07Å | ||
| 207 | V | 49.4 | Very low | 47.2 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -84.9 | 99.3 | 172.2 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | T205 | T205-V207 HydrophobicContact CG2-CG2 4.33Š| ||
| 208 | S | 48.1 | Very low | 47.3 | Very low | 94 Ų | 94 | 131.3 Ų | 131.3 | 66% | 0.657 | 79% | 0.788 | S | S | * | * | trans | -98.7 | 115.1 | 163.8 | 45.5 | 0 | 0 | 0 | 0 | 108.8 | T206 T210 | T206-S208 PolarHBondContact O-N 3.07Å; S208-T210 PolarHBondContact O-N 3.48Å | ||
| 209 | N | 49.8 | Very low | 47.4 | Very low | 160 Ų | 160 | 133.7 Ų | 133.7 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -75.7 | 110 | 171.2 | -93.2 | -2.9 | 0 | 0 | 0 | 109.6 | ||||
| 210 | T | 47.1 | Very low | 47.5 | Very low | 121 Ų | 121 | 130.4 Ų | 130.4 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -83.7 | 123.4 | 172.4 | 3.3 | 0 | 0 | 0 | 0 | 111 | S208 | S208-T210 PolarHBondContact O-N 3.48Š| ||
| 211 | S | 44.6 | Very low | 47.4 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | trans | 23.2 | 109.7 | 140.1 | 58.1 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 212 | N | 45.9 | Very low | 47.4 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 88% | 0.882 | 80% | 0.796 | S | S | * | * | trans | -94.1 | 99.8 | 150 | -79.1 | -15.6 | 0 | 0 | 0 | 109 | ||||
| 213 | T | 43.4 | Very low | 47.9 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -102.8 | 100.6 | 162.1 | 13 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 214 | T | 46.4 | Very low | 48.1 | Very low | 135 Ų | 135 | 137 Ų | 137 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -95.2 | 104.6 | 167.7 | 33 | 0 | 0 | 0 | 0 | 109 | ||||
| 215 | S | 39.3 | Very low | 48.9 | Very low | 122 Ų | 122 | 133.6 Ų | 133.6 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -74.8 | 117.6 | 163.5 | 51.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 216 | S | 52.2 | Low | 49.3 | Very low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -126.2 | 115.2 | 160.5 | 51.5 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 217 | S | 43.4 | Very low | 49.8 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -76.5 | 140 | 170.9 | 46.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 218 | S | 52.6 | Low | 50 | Low | 114 Ų | 114 | 139.3 Ų | 139.3 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | 175.8 | 117 | 138.2 | 38.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 219 | N | 45.3 | Very low | 51 | Low | 168 Ų | 168 | 139.5 Ų | 139.5 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | 37.8 | 116.7 | 136.7 | -69.6 | -11.8 | 0 | 0 | 0 | 121.8 | ||||
| 220 | S | 50.3 | Low | 51.7 | Low | 113 Ų | 113 | 143.6 Ų | 143.6 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | trans | -165 | 90.6 | 145.7 | 173.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 221 | A | 48.8 | Very low | 51.6 | Low | 98 Ų | 98 | 147.3 Ų | 147.3 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | 59 | 74.5 | 89.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 222 | S | 51.2 | Low | 52.3 | Low | 130 Ų | 130 | 147.6 Ų | 147.6 | 91% | 0.909 | 85% | 0.847 | S | S | * | * | trans | -95.7 | 108.9 | 170.6 | -151.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 223 | K | 61 | Low | 52.6 | Low | 196 Ų | 196 | 152.5 Ų | 152.5 | 85% | 0.852 | 87% | 0.865 | S | S | * | * | trans | -90.7 | 128.3 | 173.3 | -83.4 | 179.9 | 177 | 179.3 | 0 | 110.3 | ||||
| 224 | R | 49 | Very low | 53 | Low | 230 Ų | 230 | 153.6 Ų | 153.6 | 87% | 0.868 | 87% | 0.868 | S | S | * | * | trans | 25.6 | 118.8 | 144.1 | -79.4 | 178.7 | 173.8 | 175.4 | -2.4 | 118.1 | ||||
| 225 | T | 61.2 | Low | 53.4 | Low | 146 Ų | 146 | 154.5 Ų | 154.5 | 90% | 0.896 | 87% | 0.87 | S | S | * | * | trans | -133.6 | 134.1 | 135.2 | 43.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 226 | T | 59.1 | Low | 54.2 | Low | 128 Ų | 128 | 156.3 Ų | 156.3 | 79% | 0.785 | 87% | 0.871 | S | S | * | * | trans | -94.4 | 127.1 | -170 | 45.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 227 | T | 58.5 | Low | 54.3 | Low | 153 Ų | 153 | 158.6 Ų | 158.6 | 94% | 0.939 | 87% | 0.874 | S | S | * | * | trans | -92 | 117.1 | 168.6 | -1.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 228 | K | 52.9 | Low | 54.9 | Low | 203 Ų | 203 | 161.6 Ų | 161.6 | 88% | 0.883 | 88% | 0.879 | S | S | * | * | trans | -132.6 | 108.7 | 170.4 | -172.5 | -179.2 | -176.5 | -178.7 | 0 | 108.3 | ||||
| 229 | A | 67.9 | Low | 55.1 | Low | 98 Ų | 98 | 164.7 Ų | 164.7 | 81% | 0.81 | 89% | 0.885 | S | S | * | * | trans | -155.4 | 93.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 230 | R | 65 | Low | 55.8 | Low | 245 Ų | 245 | 164.5 Ų | 164.5 | 93% | 0.925 | 88% | 0.884 | S | S | * | * | 67.6 | 103.5 | 83.6 | -152.5 | 177.1 | -171.5 | 178.1 | 1.3 | 112.9 | |||||
| 231 | K | 45 | Very low | 56.2 | Low | 200 Ų | 200 | 168.5 Ų | 168.5 | 87% | 0.87 | 89% | 0.891 | S | S | * | * | trans | -78.4 | 134.6 | 169.4 | 178.9 | -179.2 | -177.2 | -176 | 0 | 110 | ||||
| 232 | A | 60.1 | Low | 56.8 | Low | 95 Ų | 95 | 174.3 Ų | 174.3 | 79% | 0.785 | 90% | 0.898 | S | S | * | * | trans | -174.4 | 90.6 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 233 | E | 51 | Low | 57.4 | Low | 268 Ų | 268 | 178.4 Ų | 178.4 | 100% | 1.252 | 90% | 0.897 | S | S | * | * | trans | -167.5 | 0 | 133.4 | -133.4 | 172.9 | 142.7 | 0 | 0 | 108 |
Retrieved 233 of 233 residues in 226.9 ms
(Link to these results)