| 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 | 83 | Confident | 88 | Confident | 164 Ų | 164 | 52.3 Ų | 52.3 | 81% | 0.808 | 26% | 0.262 | S | S | * | . | 0 | 136.6 | 0 | -172.8 | 176.9 | -175.4 | 0 | 0 | 108 | V28 Y40 | M1-V28 HydrophobicContact CE-CB 4.47Å; M1-V28 HydrophobicContact CE-CG1 4.38Å; M1-Y40 CarbonylContact C-O 3.34Å; M1-Y40 WeakPolarHBondContact CA-O 3.16Å; M1-Y40 WeakPolarHBondContact CG-O 3.31Å | |||
| 2 | I | 86.2 | Confident | 88 | Confident | 33 Ų | 33 | 49.7 Ų | 49.7 | 17% | 0.169 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 143.1 | 178.2 | -175.4 | 173.9 | 0 | 0 | 0 | 109.1 | P10 Y40 V62 | I2-P10 HydrophobicContact CG2-CB 3.73Å; I2-P10 HydrophobicContact CG2-CG 4.31Å; I2-Y40 PolarHBondContact N-O 2.73Å; I2-Y40 PolarHBondContact O-N 2.92Å; I2-V62 HydrophobicContact CD1-CB 4.31Å; I2-V62 HydrophobicContact CD1-CG1 3.81Å; I2-V62 WeakPolarHBondContact CD1-O 3.25Å; I2-V62 HydrophobicContact CG2-CG1 4.23Å |
| 3 | T | 88.7 | Confident | 87.8 | Confident | 39 Ų | 39 | 48.5 Ų | 48.5 | 24% | 0.239 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 124 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 109.6 | C37 K38 C64 N76 | T3-C37 HydrophobicContact CG2-CB 3.92Å; T3-K38 WeakPolarHBondContact CA-O 3.45Å; T3-C64 PolarHBondContact O-SG 2.84Å; T3-C64 VanDerWaalsContact O-SG 3.41Å; T3-N76 PolarHBondContact O-ND2 2.04Å |
| 4 | C | 89.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.007 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 134.5 | 177.7 | -55.4 | 0 | 0 | 0 | 0 | 110.1 | G8 K38 Y40 C64 N76 | C4-G8 WeakPolarHBondContact CB-O 3.43Å; C4-K38 PolarHBondContact N-O 2.75Å; C4-K38 PolarHBondContact O-N 3.22Å; C4-Y40 HydrophobicContact CB-CD2 4.44Å; C4-Y40 HydrophobicContact CB-CE2 4.11Å; C4-C64 WeakPolarHBondContact CA-SG 3.48Å; C4-C64 HydrophobicContact CB-CB 3.69Å; C4-C64 WeakPolarHBondContact CB-SG 3.17Å; C4-C64 WeakPolarHBondContact SG-CB 3.42Å; C4-C64 CovalentContact SG-SG 2.03Å; C4-C64 PolarHBondContact SG-SG 2.83Å; C4-N76 CarbonylContact C-O 3.57Å; C4-N76 WeakPolarHBondContact CA-O 3.04Å |
| 5 | C | 88.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | trans | -112.6 | 174.7 | -176.6 | -48 | 0 | 0 | 0 | 0 | 111.8 | N7 G8 S36 C37 N76 C77 R78 | C5-N7 PolarHBondContact O-N 3.37Å; C5-N7 VanDerWaalsContact O-N 3.1Å; C5-G8 PolarHBondContact O-N 3.28Å; C5-S36 CarbonylContact C-O 3.47Å; C5-S36 WeakPolarHBondContact CA-O 3.35Å; C5-C37 HydrophobicContact CB-CB 4.04Å; C5-C37 WeakPolarHBondContact CB-SG 3.48Å; C5-C37 WeakPolarHBondContact SG-CB 3.03Å; C5-C37 CovalentContact SG-SG 2.04Å; C5-C37 PolarHBondContact SG-SG 3.15Å; C5-N76 PolarHBondContact N-O 3.03Å; C5-C77 CarbonylContact C-O 3.49Å; C5-C77 VanDerWaalsContact C-O 3.23Å; C5-C77 WeakPolarHBondContact O-CB 3.11Å; C5-R78 HydrophobicContact CB-CG 3.84Å; C5-R78 WeakPolarHBondContact SG-CG 3.45Å | ||
| 6 | E | 85.5 | Confident | 86.9 | Confident | 52 Ų | 52 | 53.1 Ų | 53.1 | 24% | 0.243 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 42.2 | -176.7 | -53.6 | -42.8 | 132 | 0 | 0 | 114.3 | G8 S36 P67 M70 C77 | E6-G8 PolarHBondContact O-N 3.31Å; E6-S36 PolarHBondContact N-O 3.17Å; E6-S36 VanDerWaalsContact N-O 3.11Å; E6-S36 WeakPolarHBondContact OE1-CB 3.02Å; E6-S36 PolarHBondContact OE1-OG 2.95Å; E6-P67 WeakPolarHBondContact O-CD 3.31Å; E6-P67 WeakPolarHBondContact O-CG 3.03Å; E6-M70 HydrophobicContact CB-CE 4.28Å; E6-M70 HydrophobicContact CB-SD 3.88Å; E6-M70 HydrophobicContact CG-SD 4.42Å; E6-C77 WeakPolarHBondContact CB-O 3.05Å; E6-C77 WeakPolarHBondContact CG-O 3.41Å |
| 7 | N | 85.2 | Confident | 86.8 | Confident | 113 Ų | 113 | 52.7 Ų | 52.7 | 60% | 0.604 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | 14.5 | -175.7 | -57.9 | -61.8 | 0 | 0 | 0 | 116.2 | C5 K38 | C5-N7 PolarHBondContact O-N 3.37Å; C5-N7 VanDerWaalsContact O-N 3.1Å; N7-K38 PolarHBondContact OD1-NZ 2.82Å |
| 8 | G | 88.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | trans | -57.2 | 153.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | C4 C5 E6 K65 | C4-G8 WeakPolarHBondContact CB-O 3.43Å; C5-G8 PolarHBondContact O-N 3.28Å; E6-G8 PolarHBondContact O-N 3.31Å; G8-K65 CarbonylContact C-O 3.57Å; G8-K65 WeakPolarHBondContact CA-O 3.32Å | ||
| 9 | H | 90.4 | Very high | 86.6 | Confident | 96 Ų | 96 | 51.7 Ų | 51.7 | 44% | 0.444 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 143.1 | 179.7 | -127.2 | 60.7 | 0 | 0 | 0 | 110.6 | E11 Y40 K65 | H9-E11 PolarHBondContact O-N 3.02Å; H9-Y40 AromaticContact CE1-CE1 3.66Å; H9-Y40 AromaticContact CE1-CZ 3.71Å; H9-Y40 PolarHBondContact CE1-OH 3Å; H9-Y40 AromaticContact ND1-CZ 3.83Å; H9-Y40 PolarHBondContact ND1-OH 2.83Å; H9-K65 PolarHBondContact N-O 2.91Å; H9-K65 PolarHBondContact O-N 2.84Å |
| 10 | P | 91.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 132 | 175.2 | 29.8 | -35 | 0 | 0 | 0 | 110.6 | I2 W23 V25 Y40 V62 R63 | I2-P10 HydrophobicContact CG2-CB 3.73Å; I2-P10 HydrophobicContact CG2-CG 4.31Å; P10-W23 HydrophobicContact CB-CZ2 4.29Å; P10-W23 WeakPolarHBondContact O-CZ2 3.31Å; P10-V25 HydrophobicContact CG-CG1 3.77Å; P10-Y40 HydrophobicContact CG-CD1 4.3Å; P10-Y40 HydrophobicContact CG-CD2 4.1Å; P10-Y40 HydrophobicContact CG-CG 3.89Å; P10-V62 HydrophobicContact CB-CG1 3.72Å; P10-R63 WeakPolarHBondContact CA-O 3.34Å |
| 11 | E | 90.8 | Very high | 86.6 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 35% | 0.346 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 153.9 | 167.5 | -78.4 | -171.7 | -169.1 | 0 | 0 | 109.2 | H9 R63 K65 | H9-E11 PolarHBondContact O-N 3.02Å; E11-R63 PolarHBondContact N-O 2.96Å; E11-R63 PolarHBondContact O-N 2.77Å; E11-R63 VanDerWaalsContact O-O 3.08Å; E11-K65 HydrophobicContact CG-CB 4.47Å; E11-K65 HydrophobicContact CG-CD 4.18Å; E11-K65 WeakPolarHBondContact OE1-CD 3.49Å; E11-K65 WeakPolarHBondContact OE1-CE 3.18Å; E11-K65 IonicContact OE1-NZ 3.53Å; E11-K65 PolarHBondContact OE1-NZ 3.04Å; E11-K65 WeakPolarHBondContact OE2-CD 3.04Å; E11-K65 IonicContact OE2-NZ 2.68Å; E11-K65 PolarHBondContact OE2-NZ 3.03Å |
| 12 | P | 87.5 | Confident | 86.8 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 148.3 | 169.9 | 26 | -34 | 0 | 0 | 0 | 110.9 | I16 A17 V20 W23 | P12-I16 HydrophobicContact CB-CD1 4.16Å; P12-I16 HydrophobicContact CB-CG1 3.98Å; P12-A17 HydrophobicContact CB-CB 4.39Å; P12-A17 HydrophobicContact CG-CB 4.05Å; P12-V20 HydrophobicContact CB-CG2 3.84Å; P12-V20 HydrophobicContact CG-CG2 4.18Å; P12-W23 HydrophobicContact CB-CE3 4.49Å; P12-W23 HydrophobicContact CB-CZ3 4.15Å; P12-W23 HydrophobicContact CG-CE3 4.34Å; P12-W23 HydrophobicContact CG-CZ3 4.38Å |
| 13 | D | 85.8 | Confident | 86.8 | Confident | 35 Ų | 35 | 55.2 Ų | 55.2 | 19% | 0.187 | 28% | 0.283 | C | S | . | . | trans | -64.1 | 154.1 | 176.2 | -138.4 | -34.1 | 0 | 0 | 0 | 112 | D15 I16 A17 S61 R63 | D13-D15 PolarHBondContact O-N 2.81Å; D13-D15 VanDerWaalsContact O-N 3.15Å; D13-I16 HydrophobicContact CB-CG1 4.3Å; D13-I16 WeakPolarHBondContact O-CG1 3.41Å; D13-I16 PolarHBondContact O-N 3.23Å; D13-A17 WeakPolarHBondContact O-CB 3.4Å; D13-A17 PolarHBondContact O-N 2.81Å; D13-S61 WeakPolarHBondContact CB-OG 3.46Å; D13-S61 PolarHBondContact N-O 3.33Å; D13-S61 VanDerWaalsContact N-O 3.17Å; D13-S61 PolarHBondContact OD2-OG 3.34Å; D13-R63 VanDerWaalsContact OD1-CD 3.31Å; D13-R63 WeakPolarHBondContact OD1-CD 3.34Å; D13-R63 IonicContact OD1-CZ 3.67Å; D13-R63 IonicContact OD1-NE 2.77Å; D13-R63 IonicContact OD1-NH1 3.79Å; D13-R63 PolarHBondContact OD1-NH1 3.05Å | ||
| 14 | E | 83.9 | Confident | 86.9 | Confident | 142 Ų | 142 | 55.3 Ų | 55.3 | 66% | 0.664 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -56.6 | -35.9 | -175.9 | -87.7 | 161.6 | -126.6 | 0 | 0 | 112.8 | I16 R63 | E14-I16 PolarHBondContact O-N 2.83Å; E14-R63 IonicContact OE1-CZ 3.52Å; E14-R63 VanDerWaalsContact OE1-CZ 3.27Å; E14-R63 IonicContact OE1-NH1 3.59Å; E14-R63 PolarHBondContact OE1-NH1 2.95Å; E14-R63 IonicContact OE1-NH2 2.81Å; E14-R63 PolarHBondContact OE1-NH2 3.36Å |
| 15 | D | 81.4 | Confident | 86.9 | Confident | 68 Ų | 68 | 57.6 Ų | 57.6 | 36% | 0.364 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.6 | -24.6 | 176.9 | -69.4 | -48.4 | 0 | 0 | 0 | 114.5 | D13 P52 R54 | D13-D15 PolarHBondContact O-N 2.81Å; D13-D15 VanDerWaalsContact O-N 3.15Å; D15-P52 WeakPolarHBondContact O-CD 3.08Å; D15-R54 IonicContact OD1-CZ 3.49Å; D15-R54 IonicContact OD1-NH1 3.8Å; D15-R54 IonicContact OD1-NH2 2.82Å; D15-R54 PolarHBondContact OD1-NH2 3.49Å; D15-R54 IonicContact OD2-CZ 3.13Å; D15-R54 IonicContact OD2-NH1 2.73Å; D15-R54 PolarHBondContact OD2-NH1 2.74Å; D15-R54 IonicContact OD2-NH2 2.75Å; D15-R54 PolarHBondContact OD2-NH2 2.99Å |
| 16 | I | 83.7 | Confident | 87 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.046 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -121.1 | -17.7 | -173.2 | 68.7 | 167.6 | 0 | 0 | 0 | 113 | P12 D13 E14 A18 A19 V20 Y44 L51 L60 S61 | P12-I16 HydrophobicContact CB-CD1 4.16Å; P12-I16 HydrophobicContact CB-CG1 3.98Å; D13-I16 HydrophobicContact CB-CG1 4.3Å; D13-I16 WeakPolarHBondContact O-CG1 3.41Å; D13-I16 PolarHBondContact O-N 3.23Å; E14-I16 PolarHBondContact O-N 2.83Å; I16-A18 PolarHBondContact O-N 3.44Å; I16-A19 WeakPolarHBondContact O-CA 3.31Å; I16-A19 WeakPolarHBondContact O-CB 3.43Å; I16-A19 PolarHBondContact O-N 3.17Å; I16-V20 PolarHBondContact O-N 2.84Å; I16-V20 VanDerWaalsContact O-N 3.17Å; I16-Y44 HydrophobicContact CD1-CE2 3.99Å; I16-L51 HydrophobicContact CB-CD2 4.43Å; I16-L51 HydrophobicContact CG2-CD2 4.02Å; I16-L60 HydrophobicContact CD1-CB 4.35Å; I16-L60 HydrophobicContact CG2-CD2 3.72Å; I16-S61 VanDerWaalsContact CD1-O 3.32Å; I16-S61 WeakPolarHBondContact CD1-O 3.4Å |
| 17 | A | 84.6 | Confident | 87 | Confident | 46 Ų | 46 | 68.3 Ų | 68.3 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -55 | -36.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | P12 D13 A19 | P12-A17 HydrophobicContact CB-CB 4.39Å; P12-A17 HydrophobicContact CG-CB 4.05Å; D13-A17 WeakPolarHBondContact O-CB 3.4Å; D13-A17 PolarHBondContact O-N 2.81Å; A17-A19 PolarHBondContact O-N 3.35Å |
| 18 | A | 84.3 | Confident | 87.1 | Confident | 84 Ų | 84 | 65.3 Ų | 65.3 | 69% | 0.694 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -12.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | I16 Q50 | I16-A18 PolarHBondContact O-N 3.44Å; A18-Q50 PolarHBondContact O-NE2 2.68Å; A18-Q50 VanDerWaalsContact O-NE2 3.12Å |
| 19 | A | 85.1 | Confident | 86.6 | Confident | 2 Ų | 2 | 74.3 Ų | 74.3 | 2% | 0.017 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -15.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | I16 A17 R21 I46 S47 Q50 L51 | I16-A19 WeakPolarHBondContact O-CA 3.31Å; I16-A19 WeakPolarHBondContact O-CB 3.43Å; I16-A19 PolarHBondContact O-N 3.17Å; A17-A19 PolarHBondContact O-N 3.35Å; A19-R21 PolarHBondContact O-N 3.13Å; A19-I46 HydrophobicContact CB-CG2 3.74Å; A19-S47 PolarHBondContact O-N 2.03Å; A19-Q50 HydrophobicContact CB-CB 3.84Å; A19-L51 HydrophobicContact CB-CD2 4.05Å; A19-L51 HydrophobicContact CB-CG 4.14Å |
| 20 | V | 86.5 | Confident | 85.6 | Confident | 29 Ų | 29 | 73 Ų | 73 | 18% | 0.176 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 124.4 | 175.7 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | P12 I16 E22 W23 Y44 | P12-V20 HydrophobicContact CB-CG2 3.84Å; P12-V20 HydrophobicContact CG-CG2 4.18Å; I16-V20 PolarHBondContact O-N 2.84Å; I16-V20 VanDerWaalsContact O-N 3.17Å; V20-E22 VanDerWaalsContact CG1-O 3.25Å; V20-E22 WeakPolarHBondContact CG1-O 3.48Å; V20-W23 HydrophobicContact CG1-CB 4.24Å; V20-W23 HydrophobicContact CG1-CE3 4.32Å; V20-Y44 HydrophobicContact CG1-CD2 4.5Å; V20-Y44 HydrophobicContact CG2-CD2 3.94Å; V20-Y44 HydrophobicContact CG2-CE2 4.46Å |
| 21 | R | 87.2 | Confident | 84.2 | Confident | 179 Ų | 179 | 79.1 Ų | 79.1 | 68% | 0.675 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -24.8 | 177.9 | -68.3 | -171.2 | 172 | 177.1 | 0.6 | 113.7 | A19 N45 S47 | A19-R21 PolarHBondContact O-N 3.13Å; R21-N45 PolarHBondContact N-O 2.94Å; R21-S47 PolarHBondContact NH2-OG 2.79Å |
| 22 | E | 87.3 | Confident | 82.9 | Confident | 81 Ų | 81 | 78.7 Ų | 78.7 | 38% | 0.379 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 135.8 | -178.1 | -172.3 | 178.6 | -175 | 0 | 0 | 108.1 | V20 V24 Y44 N45 | V20-E22 VanDerWaalsContact CG1-O 3.25Å; V20-E22 WeakPolarHBondContact CG1-O 3.48Å; E22-V24 HydrophobicContact CG-CG2 4.25Å; E22-Y44 CarbonylContact O-C 3.4Å; E22-Y44 WeakPolarHBondContact O-CA 3.11Å; E22-Y44 VanDerWaalsContact O-CB 3.31Å; E22-Y44 WeakPolarHBondContact O-CB 3.3Å; E22-N45 HydrophobicContact CB-CB 4.07Å; E22-N45 PolarHBondContact O-N 3.38Å; E22-N45 PolarHBondContact OE2-ND2 2.79Å |
| 23 | W | 87.6 | Confident | 81.8 | Confident | 85 Ų | 85 | 86 Ų | 86 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 102.3 | -175 | -180 | -101.8 | 0 | 0 | 0 | 108.6 | P10 P12 V20 V25 Y44 V62 | P10-W23 HydrophobicContact CB-CZ2 4.29Å; P10-W23 WeakPolarHBondContact O-CZ2 3.31Å; P12-W23 HydrophobicContact CB-CE3 4.49Å; P12-W23 HydrophobicContact CB-CZ3 4.15Å; P12-W23 HydrophobicContact CG-CE3 4.34Å; P12-W23 HydrophobicContact CG-CZ3 4.38Å; V20-W23 HydrophobicContact CG1-CB 4.24Å; V20-W23 HydrophobicContact CG1-CE3 4.32Å; W23-V25 HydrophobicContact CD2-CG2 4.22Å; W23-V25 VanDerWaalsContact CE2-CG2 3.48Å; W23-V25 HydrophobicContact CH2-CG2 4.24Å; W23-V25 HydrophobicContact CZ2-CG2 3.51Å; W23-Y44 VanDerWaalsContact CE3-CB 3.5Å; W23-Y44 HydrophobicContact CE3-CD1 4.45Å; W23-Y44 AromaticContact CE3-CG 3.97Å; W23-Y44 HydrophobicContact CE3-CG 3.97Å; W23-Y44 AromaticContact CZ3-CD1 3.92Å; W23-Y44 HydrophobicContact CZ3-CD1 3.92Å; W23-Y44 HydrophobicContact CZ3-CD2 4.38Å; W23-Y44 AromaticContact CZ3-CG 3.81Å; W23-Y44 HydrophobicContact CZ3-CG 3.81Å; W23-V62 HydrophobicContact CH2-CB 4.31Å; W23-V62 HydrophobicContact CH2-CG1 3.67Å; W23-V62 HydrophobicContact CH2-CG2 3.67Å; W23-V62 HydrophobicContact CZ2-CG1 4.33Å; W23-V62 HydrophobicContact CZ3-CG2 3.96Å |
| 24 | V | 89.3 | Confident | 81.1 | Confident | 42 Ų | 42 | 90 Ų | 90 | 26% | 0.255 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 115.2 | -179.9 | 179 | 0 | 0 | 0 | 0 | 108.2 | E22 G42 Y43 | E22-V24 HydrophobicContact CG-CG2 4.25Å; V24-G42 CarbonylContact O-C 3.53Å; V24-G42 WeakPolarHBondContact O-CA 3.19Å; V24-Y43 HydrophobicContact CB-CD1 4.14Å; V24-Y43 HydrophobicContact CB-CE1 3.73Å; V24-Y43 HydrophobicContact CB-CE2 4.15Å; V24-Y43 HydrophobicContact CG1-CD1 4.35Å; V24-Y43 HydrophobicContact CG1-CE1 3.72Å; V24-Y43 HydrophobicContact CG2-CE1 4.22Å; V24-Y43 HydrophobicContact CG2-CE2 3.99Å; V24-Y43 PolarHBondContact N-O 3.15Å; V24-Y43 PolarHBondContact O-N 2.81Å; V24-Y43 VanDerWaalsContact O-O 3.14Å |
| 25 | V | 90.1 | Very high | 80.4 | Confident | 48 Ų | 48 | 88.4 Ų | 88.4 | 29% | 0.291 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.1 | 179.5 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | P10 W23 Y40 T41 | P10-V25 HydrophobicContact CG-CG1 3.77Å; W23-V25 HydrophobicContact CD2-CG2 4.22Å; W23-V25 VanDerWaalsContact CE2-CG2 3.48Å; W23-V25 HydrophobicContact CH2-CG2 4.24Å; W23-V25 HydrophobicContact CZ2-CG2 3.51Å; V25-Y40 HydrophobicContact CG1-CD1 3.84Å; V25-Y40 HydrophobicContact CG1-CG 4.2Å; V25-T41 WeakPolarHBondContact CA-O 3.49Å |
| 26 | E | 90.6 | Very high | 80.5 | Confident | 131 Ų | 131 | 87.5 Ų | 87.5 | 61% | 0.612 | 46% | 0.464 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144.7 | 176.9 | -62.7 | 179.3 | 163.2 | 0 | 0 | 109.2 | Y40 T41 | E26-Y40 WeakPolarHBondContact O-CA 3.46Å; E26-T41 HydrophobicContact CB-CG2 4.44Å; E26-T41 PolarHBondContact N-O 3.17Å; E26-T41 PolarHBondContact O-N 2.83Å; E26-T41 VanDerWaalsContact O-O 3.12Å |
| 27 | R | 87 | Confident | 80.6 | Confident | 148 Ų | 148 | 87.8 Ų | 87.8 | 56% | 0.558 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 129.7 | 171.6 | -177.2 | -179.9 | -62.1 | 134.1 | 7.6 | 108.6 | Y40 | R27-Y40 HydrophobicContact CB-CD1 4.11Å; R27-Y40 HydrophobicContact CB-CE1 3.97Å; R27-Y40 HydrophobicContact CG-CE1 4.26Å |
| 28 | V | 87.2 | Confident | 80.8 | Confident | 49 Ų | 49 | 88.6 Ų | 88.6 | 30% | 0.297 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 138.6 | 168.4 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | M1 D30 S39 T41 | M1-V28 HydrophobicContact CE-CB 4.47Å; M1-V28 HydrophobicContact CE-CG1 4.38Å; V28-D30 PolarHBondContact O-N 2.93Å; V28-S39 PolarHBondContact N-O 2.73Å; V28-S39 PolarHBondContact O-OG 2.89Å; V28-T41 HydrophobicContact CG2-CG2 3.64Å |
| 29 | E | 77 | Confident | 81 | Confident | 190 Ų | 190 | 84.6 Ų | 84.6 | 89% | 0.888 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 121.1 | 171 | -62.3 | -168 | 143.6 | 0 | 0 | 108.7 | ||
| 30 | D | 68.4 | Low | 81.3 | Confident | 69 Ų | 69 | 84.8 Ų | 84.8 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -92.5 | 154.6 | -175.9 | -168.5 | 17.7 | 0 | 0 | 0 | 110.9 | V28 G32 | V28-D30 PolarHBondContact O-N 2.93Å; D30-G32 PolarHBondContact O-N 2.96Å |
| 31 | D | 62.4 | Low | 81.4 | Confident | 130 Ų | 130 | 86.4 Ų | 86.4 | 70% | 0.695 | 44% | 0.439 | S | S | * | . | trans | -67.3 | 21.7 | -175.5 | -78.2 | -19.1 | 0 | 0 | 0 | 114 | R33 | D31-R33 PolarHBondContact O-N 3.12Å; D31-R33 IonicContact OD2-NH2 3.27Å; D31-R33 PolarHBondContact OD2-NH2 2.95Å | ||
| 32 | G | 64.5 | Low | 81.5 | Confident | 65 Ų | 65 | 80.2 Ų | 80.2 | 67% | 0.67 | 43% | 0.431 | S | S | * | . | S | Bend | trans | 64.3 | 3.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D30 F34 | D30-G32 PolarHBondContact O-N 2.96Å; G32-F34 VanDerWaalsContact C-N 3.32Å; G32-F34 PolarHBondContact O-N 3Å |
| 33 | R | 65 | Low | 81.5 | Confident | 174 Ų | 174 | 82.5 Ų | 82.5 | 66% | 0.657 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -71.6 | -23.2 | -165.9 | -159.3 | 175.3 | -57 | -165.5 | 8.5 | 114.1 | D31 | D31-R33 PolarHBondContact O-N 3.12Å; D31-R33 IonicContact OD2-NH2 3.27Å; D31-R33 PolarHBondContact OD2-NH2 2.95Å |
| 34 | F | 69.1 | Low | 81.5 | Confident | 118 Ų | 118 | 81.2 Ų | 81.2 | 52% | 0.518 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -139 | 91.8 | -179.2 | -62.7 | -74.9 | 0 | 0 | 0 | 110.8 | G32 S36 C37 | G32-F34 VanDerWaalsContact C-N 3.32Å; G32-F34 PolarHBondContact O-N 3Å; F34-S36 PolarHBondContact O-N 2.81Å; F34-C37 HydrophobicContact CB-CB 3.73Å; F34-C37 PolarHBondContact O-N 2.85Å |
| 35 | A | 70.8 | Confident | 81.4 | Confident | 110 Ų | 110 | 83.2 Ų | 83.2 | 91% | 0.909 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -23.2 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 36 | S | 82.3 | Confident | 81.1 | Confident | 49 Ų | 49 | 83.1 Ų | 83.1 | 34% | 0.343 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | -6.3 | 175.4 | 68.3 | 0 | 0 | 0 | 0 | 114.4 | C5 E6 F34 | C5-S36 CarbonylContact C-O 3.47Å; C5-S36 WeakPolarHBondContact CA-O 3.35Å; E6-S36 PolarHBondContact N-O 3.17Å; E6-S36 VanDerWaalsContact N-O 3.11Å; E6-S36 WeakPolarHBondContact OE1-CB 3.02Å; E6-S36 PolarHBondContact OE1-OG 2.95Å; F34-S36 PolarHBondContact O-N 2.81Å |
| 37 | C | 86.9 | Confident | 80.8 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 10% | 0.101 | 41% | 0.413 | C | S | . | . | trans | -96.5 | 147.3 | 179.1 | -63 | 0 | 0 | 0 | 0 | 112.1 | T3 C5 F34 | T3-C37 HydrophobicContact CG2-CB 3.92Å; C5-C37 HydrophobicContact CB-CB 4.04Å; C5-C37 WeakPolarHBondContact CB-SG 3.48Å; C5-C37 WeakPolarHBondContact SG-CB 3.03Å; C5-C37 CovalentContact SG-SG 2.04Å; C5-C37 PolarHBondContact SG-SG 3.15Å; F34-C37 HydrophobicContact CB-CB 3.73Å; F34-C37 PolarHBondContact O-N 2.85Å | ||
| 38 | K | 88.4 | Confident | 80.5 | Confident | 62 Ų | 62 | 76.1 Ų | 76.1 | 27% | 0.27 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 128.6 | 177 | -70.5 | 156.4 | -170.6 | 169.3 | 0 | 108.1 | T3 C4 N7 Y40 | T3-K38 WeakPolarHBondContact CA-O 3.45Å; C4-K38 PolarHBondContact N-O 2.75Å; C4-K38 PolarHBondContact O-N 3.22Å; N7-K38 PolarHBondContact OD1-NZ 2.82Å; K38-Y40 HydrophobicContact CB-CE2 3.7Å; K38-Y40 VanDerWaalsContact O-CD2 3.31Å; K38-Y40 WeakPolarHBondContact O-CD2 3.39Å; K38-Y40 VanDerWaalsContact O-CE2 3.3Å; K38-Y40 WeakPolarHBondContact O-CE2 3.4Å |
| 39 | S | 88.8 | Confident | 80.1 | Confident | 1 Ų | 1 | 78.4 Ų | 78.4 | 1% | 0.007 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 146.2 | 176.3 | 56.7 | 0 | 0 | 0 | 0 | 110.9 | V28 | V28-S39 PolarHBondContact N-O 2.73Å; V28-S39 PolarHBondContact O-OG 2.89Å |
| 40 | Y | 89.9 | Confident | 80.1 | Confident | 6 Ų | 6 | 73.8 Ų | 73.8 | 2% | 0.024 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 140.6 | -173.8 | -63.5 | -84.6 | 0 | 0 | 0 | 110.5 | M1 I2 C4 H9 P10 V25 E26 R27 K38 | M1-Y40 CarbonylContact C-O 3.34Å; M1-Y40 WeakPolarHBondContact CA-O 3.16Å; M1-Y40 WeakPolarHBondContact CG-O 3.31Å; I2-Y40 PolarHBondContact N-O 2.73Å; I2-Y40 PolarHBondContact O-N 2.92Å; C4-Y40 HydrophobicContact CB-CD2 4.44Å; C4-Y40 HydrophobicContact CB-CE2 4.11Å; H9-Y40 AromaticContact CE1-CE1 3.66Å; H9-Y40 AromaticContact CE1-CZ 3.71Å; H9-Y40 PolarHBondContact CE1-OH 3Å; H9-Y40 AromaticContact ND1-CZ 3.83Å; H9-Y40 PolarHBondContact ND1-OH 2.83Å; P10-Y40 HydrophobicContact CG-CD1 4.3Å; P10-Y40 HydrophobicContact CG-CD2 4.1Å; P10-Y40 HydrophobicContact CG-CG 3.89Å; V25-Y40 HydrophobicContact CG1-CD1 3.84Å; V25-Y40 HydrophobicContact CG1-CG 4.2Å; E26-Y40 WeakPolarHBondContact O-CA 3.46Å; R27-Y40 HydrophobicContact CB-CD1 4.11Å; R27-Y40 HydrophobicContact CB-CE1 3.97Å; R27-Y40 HydrophobicContact CG-CE1 4.26Å; K38-Y40 HydrophobicContact CB-CE2 3.7Å; K38-Y40 VanDerWaalsContact O-CD2 3.31Å; K38-Y40 WeakPolarHBondContact O-CD2 3.39Å; K38-Y40 VanDerWaalsContact O-CE2 3.3Å; K38-Y40 WeakPolarHBondContact O-CE2 3.4Å |
| 41 | T | 90.3 | Very high | 80.3 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 39% | 0.387 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 162.9 | 171.7 | -161.7 | 0 | 0 | 0 | 0 | 109.3 | V25 E26 V28 | V25-T41 WeakPolarHBondContact CA-O 3.49Å; E26-T41 HydrophobicContact CB-CG2 4.44Å; E26-T41 PolarHBondContact N-O 3.17Å; E26-T41 PolarHBondContact O-N 2.83Å; E26-T41 VanDerWaalsContact O-O 3.12Å; V28-T41 HydrophobicContact CG2-CG2 3.64Å |
| 42 | G | 87.7 | Confident | 80.6 | Confident | 48 Ų | 48 | 69.5 Ų | 69.5 | 50% | 0.495 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.4 | 176.7 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | V24 | V24-G42 CarbonylContact O-C 3.53Å; V24-G42 WeakPolarHBondContact O-CA 3.19Å |
| 43 | Y | 88.9 | Confident | 80.6 | Confident | 130 Ų | 130 | 73 Ų | 73 | 51% | 0.51 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 157.7 | 175.1 | 64.7 | -88.3 | 0 | 0 | 0 | 109.9 | V24 | V24-Y43 HydrophobicContact CB-CD1 4.14Å; V24-Y43 HydrophobicContact CB-CE1 3.73Å; V24-Y43 HydrophobicContact CB-CE2 4.15Å; V24-Y43 HydrophobicContact CG1-CD1 4.35Å; V24-Y43 HydrophobicContact CG1-CE1 3.72Å; V24-Y43 HydrophobicContact CG2-CE1 4.22Å; V24-Y43 HydrophobicContact CG2-CE2 3.99Å; V24-Y43 PolarHBondContact N-O 3.15Å; V24-Y43 PolarHBondContact O-N 2.81Å; V24-Y43 VanDerWaalsContact O-O 3.14Å |
| 44 | Y | 87.2 | Confident | 80.5 | Confident | 57 Ų | 57 | 71.3 Ų | 71.3 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 138 | 179.6 | 66.1 | -81.3 | 0 | 0 | 0 | 110.5 | I16 V20 E22 W23 I46 L60 V62 | I16-Y44 HydrophobicContact CD1-CE2 3.99Å; V20-Y44 HydrophobicContact CG1-CD2 4.5Å; V20-Y44 HydrophobicContact CG2-CD2 3.94Å; V20-Y44 HydrophobicContact CG2-CE2 4.46Å; E22-Y44 CarbonylContact O-C 3.4Å; E22-Y44 WeakPolarHBondContact O-CA 3.11Å; E22-Y44 VanDerWaalsContact O-CB 3.31Å; E22-Y44 WeakPolarHBondContact O-CB 3.3Å; W23-Y44 VanDerWaalsContact CE3-CB 3.5Å; W23-Y44 HydrophobicContact CE3-CD1 4.45Å; W23-Y44 AromaticContact CE3-CG 3.97Å; W23-Y44 HydrophobicContact CE3-CG 3.97Å; W23-Y44 AromaticContact CZ3-CD1 3.92Å; W23-Y44 HydrophobicContact CZ3-CD1 3.92Å; W23-Y44 HydrophobicContact CZ3-CD2 4.38Å; W23-Y44 AromaticContact CZ3-CG 3.81Å; W23-Y44 HydrophobicContact CZ3-CG 3.81Å; Y44-I46 HydrophobicContact CD2-CD1 4.09Å; Y44-I46 HydrophobicContact CD2-CG1 3.71Å; Y44-I46 HydrophobicContact CE2-CD1 3.42Å; Y44-I46 VanDerWaalsContact CE2-CD1 3.42Å; Y44-I46 HydrophobicContact CE2-CG1 3.59Å; Y44-L60 VanDerWaalsContact OH-CB 3.31Å; Y44-L60 WeakPolarHBondContact OH-CB 3.46Å; Y44-L60 PolarHBondContact OH-O 2.85Å; Y44-V62 HydrophobicContact CD1-CG2 4.41Å; Y44-V62 HydrophobicContact CE1-CG2 3.89Å |
| 45 | N | 86.9 | Confident | 80 | Confident | 85 Ų | 85 | 75.6 Ų | 75.6 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.2 | -177.8 | -76.6 | -47.3 | 0 | 0 | 0 | 110.5 | R21 E22 | R21-N45 PolarHBondContact N-O 2.94Å; E22-N45 HydrophobicContact CB-CB 4.07Å; E22-N45 PolarHBondContact O-N 3.38Å; E22-N45 PolarHBondContact OE2-ND2 2.79Å |
| 46 | I | 84.2 | Confident | 79.2 | Confident | 45 Ų | 45 | 78.5 Ų | 78.5 | 23% | 0.231 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 134 | -172.1 | -40 | 175.1 | 0 | 0 | 0 | 110 | A19 Y44 V48 L51 L60 | A19-I46 HydrophobicContact CB-CG2 3.74Å; Y44-I46 HydrophobicContact CD2-CD1 4.09Å; Y44-I46 HydrophobicContact CD2-CG1 3.71Å; Y44-I46 HydrophobicContact CE2-CD1 3.42Å; Y44-I46 VanDerWaalsContact CE2-CD1 3.42Å; Y44-I46 HydrophobicContact CE2-CG1 3.59Å; I46-V48 PolarHBondContact O-N 2.85Å; I46-L51 HydrophobicContact CG2-CD1 4.02Å; I46-L51 HydrophobicContact CG2-CD2 3.93Å; I46-L51 HydrophobicContact CG2-CG 3.91Å; I46-L60 HydrophobicContact CD1-CB 4.26Å; I46-L60 HydrophobicContact CD1-CD1 3.88Å; I46-L60 HydrophobicContact CD1-CD2 3.94Å; I46-L60 HydrophobicContact CD1-CG 4.23Å |
| 47 | S | 84.8 | Confident | 77.7 | Confident | 10 Ų | 10 | 85.8 Ų | 85.8 | 7% | 0.07 | 45% | 0.448 | C | S | . | . | trans | -81.8 | 107.2 | 170.6 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | A19 R21 A49 Q50 L51 | A19-S47 PolarHBondContact O-N 2.03Å; R21-S47 PolarHBondContact NH2-OG 2.79Å; S47-A49 PolarHBondContact O-N 3.48Å; S47-A49 VanDerWaalsContact O-N 3.15Å; S47-Q50 PolarHBondContact O-N 3.41Å; S47-Q50 PolarHBondContact OG-OE1 2.66Å; S47-L51 PolarHBondContact O-N 3.35Å | ||
| 48 | V | 80.2 | Confident | 76.2 | Confident | 123 Ų | 123 | 87.6 Ų | 87.6 | 75% | 0.745 | 47% | 0.47 | S | S | * | . | G | 310 helix | trans | -56 | -31.2 | 174.9 | -176 | 0 | 0 | 0 | 0 | 111.8 | I46 Q50 | I46-V48 PolarHBondContact O-N 2.85Å; V48-Q50 PolarHBondContact O-N 2.93Å |
| 49 | A | 78.7 | Confident | 75 | Confident | 96 Ų | 96 | 93.6 Ų | 93.6 | 79% | 0.793 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -73.6 | -5.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S47 | S47-A49 PolarHBondContact O-N 3.48Å; S47-A49 VanDerWaalsContact O-N 3.15Å |
| 50 | Q | 75.8 | Confident | 74.1 | Confident | 93 Ų | 93 | 96.9 Ų | 96.9 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -119.6 | -2.7 | 179.2 | -62 | 171 | -111.8 | 0 | 0 | 112.5 | A18 A19 S47 V48 | A18-Q50 PolarHBondContact O-NE2 2.68Å; A18-Q50 VanDerWaalsContact O-NE2 3.12Å; A19-Q50 HydrophobicContact CB-CB 3.84Å; S47-Q50 PolarHBondContact O-N 3.41Å; S47-Q50 PolarHBondContact OG-OE1 2.66Å; V48-Q50 PolarHBondContact O-N 2.93Å |
| 51 | L | 74.1 | Confident | 73.5 | Confident | 49 Ų | 49 | 98.9 Ų | 98.9 | 26% | 0.257 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -72.7 | 137.1 | 174.6 | -80.8 | 171.7 | 0 | 0 | 0 | 110.6 | I16 A19 I46 S47 L60 | I16-L51 HydrophobicContact CB-CD2 4.43Å; I16-L51 HydrophobicContact CG2-CD2 4.02Å; A19-L51 HydrophobicContact CB-CD2 4.05Å; A19-L51 HydrophobicContact CB-CG 4.14Å; I46-L51 HydrophobicContact CG2-CD1 4.02Å; I46-L51 HydrophobicContact CG2-CD2 3.93Å; I46-L51 HydrophobicContact CG2-CG 3.91Å; S47-L51 PolarHBondContact O-N 3.35Å; L51-L60 HydrophobicContact CD1-CD2 4.41Å; L51-L60 HydrophobicContact CD2-CD2 4Å |
| 52 | P | 67.8 | Low | 73.4 | Confident | 60 Ų | 60 | 98 Ų | 98 | 39% | 0.39 | 53% | 0.525 | S | S | . | . | trans | -66.2 | 144.4 | 173.5 | 28.2 | -34 | 0 | 0 | 0 | 110.6 | D15 R54 | D15-P52 WeakPolarHBondContact O-CD 3.08Å; P52-R54 PolarHBondContact O-N 3Å | ||
| 53 | P | 65.6 | Low | 73.4 | Confident | 139 Ų | 139 | 99.3 Ų | 99.3 | 90% | 0.903 | 52% | 0.515 | S | S | * | . | trans | -68.1 | 99.7 | 179.7 | 27.8 | -34.2 | 0 | 0 | 0 | 110.6 | ||||
| 54 | R | 62.4 | Low | 73.5 | Confident | 138 Ų | 138 | 93.6 Ų | 93.6 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | trans | -107 | 122.2 | 175.2 | -77.5 | -170.2 | 156.4 | 172 | -1.6 | 111.2 | D15 P52 K56 | D15-R54 IonicContact OD1-CZ 3.49Å; D15-R54 IonicContact OD1-NH1 3.8Å; D15-R54 IonicContact OD1-NH2 2.82Å; D15-R54 PolarHBondContact OD1-NH2 3.49Å; D15-R54 IonicContact OD2-CZ 3.13Å; D15-R54 IonicContact OD2-NH1 2.73Å; D15-R54 PolarHBondContact OD2-NH1 2.74Å; D15-R54 IonicContact OD2-NH2 2.75Å; D15-R54 PolarHBondContact OD2-NH2 2.99Å; P52-R54 PolarHBondContact O-N 3Å; R54-K56 PolarHBondContact O-N 2.75Å; R54-K56 VanDerWaalsContact O-N 3.13Å | ||
| 55 | E | 58.4 | Low | 73.6 | Confident | 208 Ų | 208 | 96 Ų | 96 | 97% | 0.972 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -65.3 | -10.7 | 172.6 | -60.3 | -174.6 | 136.1 | 0 | 0 | 113.5 | ||
| 56 | K | 53.2 | Low | 73.7 | Confident | 172 Ų | 172 | 94.1 Ų | 94.1 | 75% | 0.748 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -120.3 | 114.9 | 169.9 | -62.8 | -176.5 | -177 | 179.8 | 0 | 108.6 | R54 G58 | R54-K56 PolarHBondContact O-N 2.75Å; R54-K56 VanDerWaalsContact O-N 3.13Å; K56-G58 PolarHBondContact O-N 3.34Å |
| 57 | F | 51.5 | Low | 73.9 | Confident | 201 Ų | 201 | 94 Ų | 94 | 88% | 0.882 | 50% | 0.501 | S | S | * | . | trans | -67.1 | 73.8 | 157 | -79.3 | -91.1 | 0 | 0 | 0 | 108.6 | ||||
| 58 | G | 54.7 | Low | 73.7 | Confident | 53 Ų | 53 | 98.8 Ų | 98.8 | 55% | 0.546 | 54% | 0.54 | S | S | . | . | trans | -60.2 | 138.9 | 158 | 0 | 0 | 0 | 0 | 0 | 108.2 | K56 L60 | K56-G58 PolarHBondContact O-N 3.34Å; G58-L60 PolarHBondContact O-N 2.04Å | ||
| 59 | E | 63.7 | Low | 73.7 | Confident | 189 Ų | 189 | 96.9 Ų | 96.9 | 88% | 0.883 | 55% | 0.546 | S | S | * | . | trans | -50.6 | 123.5 | 176.8 | -170.6 | 170.4 | -154 | 0 | 0 | 109.7 | S61 | E59-S61 PolarHBondContact O-N 2.93Š| ||
| 60 | L | 70.8 | Confident | 73.4 | Confident | 70 Ų | 70 | 96.8 Ų | 96.8 | 37% | 0.366 | 53% | 0.53 | S | S | . | . | trans | -66 | 105.9 | -170.7 | -66.9 | 135.9 | 0 | 0 | 0 | 108.7 | I16 Y44 I46 L51 G58 | I16-L60 HydrophobicContact CD1-CB 4.35Å; I16-L60 HydrophobicContact CG2-CD2 3.72Å; Y44-L60 VanDerWaalsContact OH-CB 3.31Å; Y44-L60 WeakPolarHBondContact OH-CB 3.46Å; Y44-L60 PolarHBondContact OH-O 2.85Å; I46-L60 HydrophobicContact CD1-CB 4.26Å; I46-L60 HydrophobicContact CD1-CD1 3.88Å; I46-L60 HydrophobicContact CD1-CD2 3.94Å; I46-L60 HydrophobicContact CD1-CG 4.23Å; L51-L60 HydrophobicContact CD1-CD2 4.41Å; L51-L60 HydrophobicContact CD2-CD2 4Å; G58-L60 PolarHBondContact O-N 2.04Å | ||
| 61 | S | 77 | Confident | 73.4 | Confident | 47 Ų | 47 | 97.2 Ų | 97.2 | 33% | 0.329 | 54% | 0.54 | S | S | . | . | trans | -84.7 | 137.5 | -162.5 | 43.8 | 0 | 0 | 0 | 0 | 113.1 | D13 I16 E59 | D13-S61 WeakPolarHBondContact CB-OG 3.46Å; D13-S61 PolarHBondContact N-O 3.33Å; D13-S61 VanDerWaalsContact N-O 3.17Å; D13-S61 PolarHBondContact OD2-OG 3.34Å; I16-S61 VanDerWaalsContact CD1-O 3.32Å; I16-S61 WeakPolarHBondContact CD1-O 3.4Å; E59-S61 PolarHBondContact O-N 2.93Å | ||
| 62 | V | 87.2 | Confident | 73.6 | Confident | 44 Ų | 44 | 97.7 Ų | 97.7 | 27% | 0.267 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 137.3 | 159.2 | 176.5 | 0 | 0 | 0 | 0 | 107.2 | I2 P10 W23 Y44 | I2-V62 HydrophobicContact CD1-CB 4.31Å; I2-V62 HydrophobicContact CD1-CG1 3.81Å; I2-V62 WeakPolarHBondContact CD1-O 3.25Å; I2-V62 HydrophobicContact CG2-CG1 4.23Å; P10-V62 HydrophobicContact CB-CG1 3.72Å; W23-V62 HydrophobicContact CH2-CB 4.31Å; W23-V62 HydrophobicContact CH2-CG1 3.67Å; W23-V62 HydrophobicContact CH2-CG2 3.67Å; W23-V62 HydrophobicContact CZ2-CG1 4.33Å; W23-V62 HydrophobicContact CZ3-CG2 3.96Å; Y44-V62 HydrophobicContact CD1-CG2 4.41Å; Y44-V62 HydrophobicContact CE1-CG2 3.89Å |
| 63 | R | 88.6 | Confident | 74.3 | Confident | 77 Ų | 77 | 96.8 Ų | 96.8 | 29% | 0.291 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 155.3 | 179.7 | 66.4 | -176.6 | -170.4 | 179.1 | 23.2 | 110.6 | P10 E11 D13 E14 | P10-R63 WeakPolarHBondContact CA-O 3.34Å; E11-R63 PolarHBondContact N-O 2.96Å; E11-R63 PolarHBondContact O-N 2.77Å; E11-R63 VanDerWaalsContact O-O 3.08Å; D13-R63 VanDerWaalsContact OD1-CD 3.31Å; D13-R63 WeakPolarHBondContact OD1-CD 3.34Å; D13-R63 IonicContact OD1-CZ 3.67Å; D13-R63 IonicContact OD1-NE 2.77Å; D13-R63 IonicContact OD1-NH1 3.79Å; D13-R63 PolarHBondContact OD1-NH1 3.05Å; E14-R63 IonicContact OE1-CZ 3.52Å; E14-R63 VanDerWaalsContact OE1-CZ 3.27Å; E14-R63 IonicContact OE1-NH1 3.59Å; E14-R63 PolarHBondContact OE1-NH1 2.95Å; E14-R63 IonicContact OE1-NH2 2.81Å; E14-R63 PolarHBondContact OE1-NH2 3.36Å |
| 64 | C | 90.2 | Very high | 75.1 | Confident | 9 Ų | 9 | 91.9 Ų | 91.9 | 6% | 0.061 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 123.3 | 171.4 | -60.4 | 0 | 0 | 0 | 0 | 109.7 | T3 C4 R75 C77 | T3-C64 PolarHBondContact O-SG 2.84Å; T3-C64 VanDerWaalsContact O-SG 3.41Å; C4-C64 WeakPolarHBondContact CA-SG 3.48Å; C4-C64 HydrophobicContact CB-CB 3.69Å; C4-C64 WeakPolarHBondContact CB-SG 3.17Å; C4-C64 WeakPolarHBondContact SG-CB 3.42Å; C4-C64 CovalentContact SG-SG 2.03Å; C4-C64 PolarHBondContact SG-SG 2.83Å; C64-R75 WeakPolarHBondContact CB-O 3.39Å; C64-R75 PolarHBondContact N-O 3.04Å; C64-C77 WeakPolarHBondContact CB-SG 3.23Å |
| 65 | K | 90.9 | Very high | 76.1 | Confident | 108 Ų | 108 | 95.4 Ų | 95.4 | 47% | 0.47 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120.2 | 167.1 | -179.4 | 171.1 | -179.6 | 175.7 | 0 | 109 | G8 H9 E11 | G8-K65 CarbonylContact C-O 3.57Å; G8-K65 WeakPolarHBondContact CA-O 3.32Å; H9-K65 PolarHBondContact N-O 2.91Å; H9-K65 PolarHBondContact O-N 2.84Å; E11-K65 HydrophobicContact CG-CB 4.47Å; E11-K65 HydrophobicContact CG-CD 4.18Å; E11-K65 WeakPolarHBondContact OE1-CD 3.49Å; E11-K65 WeakPolarHBondContact OE1-CE 3.18Å; E11-K65 IonicContact OE1-NZ 3.53Å; E11-K65 PolarHBondContact OE1-NZ 3.04Å; E11-K65 WeakPolarHBondContact OE2-CD 3.04Å; E11-K65 IonicContact OE2-NZ 2.68Å; E11-K65 PolarHBondContact OE2-NZ 3.03Å |
| 66 | C | 89.1 | Confident | 77.3 | Confident | 45 Ų | 45 | 88 Ų | 88 | 30% | 0.304 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -89.8 | 155.1 | -175.1 | -49.3 | 0 | 0 | 0 | 0 | 111.6 | A68 L73 C77 | C66-A68 PolarHBondContact O-N 3.21Å; C66-L73 HydrophobicContact CB-CD1 3.53Å; C66-C77 WeakPolarHBondContact CA-SG 3.3Å; C66-C77 HydrophobicContact CB-CB 3.81Å; C66-C77 WeakPolarHBondContact CB-SG 3.36Å; C66-C77 PolarHBondContact N-SG 3.21Å; C66-C77 WeakPolarHBondContact SG-CA 3.2Å; C66-C77 WeakPolarHBondContact SG-CB 3.38Å; C66-C77 CovalentContact SG-SG 2.04Å; C66-C77 PolarHBondContact SG-SG 3.41Å |
| 67 | P | 87.2 | Confident | 79 | Confident | 44 Ų | 44 | 79.8 Ų | 79.8 | 29% | 0.286 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 136.8 | 176.4 | 28.2 | -37.4 | 0 | 0 | 0 | 111.3 | E6 M70 | E6-P67 WeakPolarHBondContact O-CD 3.31Å; E6-P67 WeakPolarHBondContact O-CG 3.03Å; P67-M70 HydrophobicContact CG-CE 4.04Å; P67-M70 HydrophobicContact CG-CG 4.1Å; P67-M70 HydrophobicContact CG-SD 3.63Å |
| 68 | A | 81.8 | Confident | 80.6 | Confident | 109 Ų | 109 | 75.4 Ų | 75.4 | 90% | 0.901 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 138.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | C66 | C66-A68 PolarHBondContact O-N 3.21Š|
| 69 | G | 79 | Confident | 82 | Confident | 84 Ų | 84 | 79.5 Ų | 79.5 | 87% | 0.866 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.7 | -10.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 70 | M | 72.6 | Confident | 83 | Confident | 93 Ų | 93 | 71.4 Ų | 71.4 | 46% | 0.458 | 39% | 0.386 | S | S | . | . | trans | -89.2 | 123.7 | 167.1 | -68.2 | -170.9 | -177.1 | 0 | 0 | 110.7 | E6 P67 L73 | E6-M70 HydrophobicContact CB-CE 4.28Å; E6-M70 HydrophobicContact CB-SD 3.88Å; E6-M70 HydrophobicContact CG-SD 4.42Å; P67-M70 HydrophobicContact CG-CE 4.04Å; P67-M70 HydrophobicContact CG-CG 4.1Å; P67-M70 HydrophobicContact CG-SD 3.63Å; M70-L73 HydrophobicContact CB-CD1 3.64Å; M70-L73 HydrophobicContact CB-CG 4.08Å; M70-L73 HydrophobicContact CG-CD1 4.48Å; M70-L73 HydrophobicContact SD-CD1 4.1Å; M70-L73 HydrophobicContact SD-CD2 4.48Å | ||
| 71 | T | 75.4 | Confident | 83.8 | Confident | 103 Ų | 103 | 70.4 Ų | 70.4 | 63% | 0.632 | 38% | 0.384 | S | S | * | . | trans | -91 | 160.1 | 167.9 | 50.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 72 | N | 78.6 | Confident | 84.3 | Confident | 59 Ų | 59 | 73.5 Ų | 73.5 | 32% | 0.316 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 57.7 | 60.3 | 176.2 | -41.7 | -66.6 | 0 | 0 | 0 | 114.1 | V80 E82 | N72-V80 WeakPolarHBondContact CB-O 3.01Å; N72-V80 WeakPolarHBondContact O-CB 3.47Å; N72-V80 PolarHBondContact O-N 2.9Å; N72-E82 WeakPolarHBondContact ND2-CG 3.15Å; N72-E82 PolarHBondContact ND2-OE1 2.84Å |
| 73 | L | 81.9 | Confident | 84.5 | Confident | 41 Ų | 41 | 72.7 Ų | 72.7 | 22% | 0.215 | 39% | 0.389 | C | S | . | . | B | Isolated β-bridge | trans | -113.8 | 149.7 | 171.1 | -62.8 | -176.8 | 0 | 0 | 0 | 111.3 | C66 M70 C77 R78 | C66-L73 HydrophobicContact CB-CD1 3.53Å; M70-L73 HydrophobicContact CB-CD1 3.64Å; M70-L73 HydrophobicContact CB-CG 4.08Å; M70-L73 HydrophobicContact CG-CD1 4.48Å; M70-L73 HydrophobicContact SD-CD1 4.1Å; M70-L73 HydrophobicContact SD-CD2 4.48Å; L73-C77 HydrophobicContact CD1-CB 4.42Å; L73-R78 VanDerWaalsContact CA-O 3.31Å; L73-R78 WeakPolarHBondContact CA-O 3.45Å; L73-R78 WeakPolarHBondContact CD2-O 3.37Å |
| 74 | D | 83 | Confident | 84.7 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 19% | 0.187 | 40% | 0.396 | C | S | . | . | trans | -82.8 | -179.5 | 170.6 | 76.1 | 2.2 | 0 | 0 | 0 | 112.9 | N76 C77 R78 V80 L95 | D74-N76 PolarHBondContact O-N 3.39Å; D74-N76 VanDerWaalsContact O-N 3.09Å; D74-N76 VanDerWaalsContact OD1-CA 3.23Å; D74-N76 WeakPolarHBondContact OD1-CA 3.27Å; D74-N76 WeakPolarHBondContact OD1-CB 3.43Å; D74-N76 PolarHBondContact OD1-N 3.48Å; D74-C77 PolarHBondContact O-N 3.33Å; D74-C77 PolarHBondContact OD1-N 3.49Å; D74-R78 PolarHBondContact N-O 3.16Å; D74-R78 VanDerWaalsContact N-O 3.08Å; D74-R78 WeakPolarHBondContact OD1-CB 3.34Å; D74-R78 PolarHBondContact OD1-N 2.83Å; D74-R78 WeakPolarHBondContact OD2-CD 3.27Å; D74-V80 HydrophobicContact CB-CG2 3.73Å; D74-L95 HydrophobicContact CB-CD1 4.15Å | ||
| 75 | R | 82.5 | Confident | 85 | Confident | 213 Ų | 213 | 76.2 Ų | 76.2 | 80% | 0.804 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.6 | 177 | -65.6 | -175.7 | 177.8 | -173.2 | -1.1 | 114.4 | C64 | C64-R75 WeakPolarHBondContact CB-O 3.39Å; C64-R75 PolarHBondContact N-O 3.04Å |
| 76 | N | 85.5 | Confident | 84.9 | Confident | 52 Ų | 52 | 74.1 Ų | 74.1 | 28% | 0.278 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 9.2 | 176.6 | -69.8 | 89.9 | 0 | 0 | 0 | 111.7 | T3 C4 C5 D74 R78 | T3-N76 PolarHBondContact O-ND2 2.04Å; C4-N76 CarbonylContact C-O 3.57Å; C4-N76 WeakPolarHBondContact CA-O 3.04Å; C5-N76 PolarHBondContact N-O 3.03Å; D74-N76 PolarHBondContact O-N 3.39Å; D74-N76 VanDerWaalsContact O-N 3.09Å; D74-N76 VanDerWaalsContact OD1-CA 3.23Å; D74-N76 WeakPolarHBondContact OD1-CA 3.27Å; D74-N76 WeakPolarHBondContact OD1-CB 3.43Å; D74-N76 PolarHBondContact OD1-N 3.48Å; N76-R78 VanDerWaalsContact C-N 3.25Å; N76-R78 HydrophobicContact CB-CG 4.44Å; N76-R78 PolarHBondContact O-N 3.09Å |
| 77 | C | 87 | Confident | 85.1 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 41% | 0.414 | C | S | . | . | trans | 58.8 | 30.6 | -177.4 | -49.7 | 0 | 0 | 0 | 0 | 114.3 | C5 E6 C64 C66 L73 D74 | C5-C77 CarbonylContact C-O 3.49Å; C5-C77 VanDerWaalsContact C-O 3.23Å; C5-C77 WeakPolarHBondContact O-CB 3.11Å; E6-C77 WeakPolarHBondContact CB-O 3.05Å; E6-C77 WeakPolarHBondContact CG-O 3.41Å; C64-C77 WeakPolarHBondContact CB-SG 3.23Å; C66-C77 WeakPolarHBondContact CA-SG 3.3Å; C66-C77 HydrophobicContact CB-CB 3.81Å; C66-C77 WeakPolarHBondContact CB-SG 3.36Å; C66-C77 PolarHBondContact N-SG 3.21Å; C66-C77 WeakPolarHBondContact SG-CA 3.2Å; C66-C77 WeakPolarHBondContact SG-CB 3.38Å; C66-C77 CovalentContact SG-SG 2.04Å; C66-C77 PolarHBondContact SG-SG 3.41Å; L73-C77 HydrophobicContact CD1-CB 4.42Å; D74-C77 PolarHBondContact O-N 3.33Å; D74-C77 PolarHBondContact OD1-N 3.49Å | ||
| 78 | R | 85.8 | Confident | 85.2 | Confident | 108 Ų | 108 | 77.4 Ų | 77.4 | 41% | 0.408 | 43% | 0.427 | S | S | . | . | trans | -81.7 | 144.8 | 169 | -63.6 | 169.6 | 173 | 171.8 | -2.5 | 109.7 | C5 L73 D74 N76 V80 | C5-R78 HydrophobicContact CB-CG 3.84Å; C5-R78 WeakPolarHBondContact SG-CG 3.45Å; L73-R78 VanDerWaalsContact CA-O 3.31Å; L73-R78 WeakPolarHBondContact CA-O 3.45Å; L73-R78 WeakPolarHBondContact CD2-O 3.37Å; D74-R78 PolarHBondContact N-O 3.16Å; D74-R78 VanDerWaalsContact N-O 3.08Å; D74-R78 WeakPolarHBondContact OD1-CB 3.34Å; D74-R78 PolarHBondContact OD1-N 2.83Å; D74-R78 WeakPolarHBondContact OD2-CD 3.27Å; N76-R78 VanDerWaalsContact C-N 3.25Å; N76-R78 HydrophobicContact CB-CG 4.44Å; N76-R78 PolarHBondContact O-N 3.09Å; R78-V80 PolarHBondContact O-N 3.32Å | ||
| 79 | Y | 84.6 | Confident | 85.5 | Confident | 139 Ų | 139 | 75.2 Ų | 75.2 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -63 | 124.9 | 171.5 | -178.5 | -106.1 | 0 | 0 | 0 | 111.1 | P81 | Y79-P81 HydrophobicContact CD1-CG 4.25Å; Y79-P81 HydrophobicContact CE1-CB 4.11Å; Y79-P81 HydrophobicContact CE1-CG 3.92Å |
| 80 | V | 84.6 | Confident | 85.7 | Confident | 20 Ų | 20 | 72.2 Ų | 72.2 | 12% | 0.121 | 36% | 0.361 | C | S | . | . | trans | -110.5 | 111.6 | 177 | 175.8 | 0 | 0 | 0 | 0 | 107 | N72 D74 R78 | N72-V80 WeakPolarHBondContact CB-O 3.01Å; N72-V80 WeakPolarHBondContact O-CB 3.47Å; N72-V80 PolarHBondContact O-N 2.9Å; D74-V80 HydrophobicContact CB-CG2 3.73Å; R78-V80 PolarHBondContact O-N 3.32Å | ||
| 81 | P | 86.4 | Confident | 85.8 | Confident | 49 Ų | 49 | 76.6 Ų | 76.6 | 32% | 0.318 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -60 | 152.4 | -177.8 | -23.5 | 32.5 | 0 | 0 | 0 | 112.8 | Y79 R89 L107 | Y79-P81 HydrophobicContact CD1-CG 4.25Å; Y79-P81 HydrophobicContact CE1-CB 4.11Å; Y79-P81 HydrophobicContact CE1-CG 3.92Å; P81-R89 VanDerWaalsContact O-CZ 3.23Å; P81-R89 PolarHBondContact O-NE 3.11Å; P81-R89 PolarHBondContact O-NH2 2.75Å; P81-L107 HydrophobicContact CB-CD1 3.76Å; P81-L107 HydrophobicContact CB-CD2 3.86Å; P81-L107 HydrophobicContact CB-CG 4.5Å; P81-L107 HydrophobicContact CG-CD1 4.29Å; P81-L107 HydrophobicContact CG-CD2 4.42Å |
| 82 | E | 88.2 | Confident | 85.9 | Confident | 112 Ų | 112 | 77.2 Ų | 77.2 | 52% | 0.523 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 152.8 | 175.2 | -64.1 | -175.3 | 166 | 0 | 0 | 111.3 | N72 | N72-E82 WeakPolarHBondContact ND2-CG 3.15Å; N72-E82 PolarHBondContact ND2-OE1 2.84Å |
| 83 | C | 91.7 | Very high | 85.6 | Confident | 27 Ų | 27 | 78.3 Ų | 78.3 | 18% | 0.182 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 131.6 | 173.1 | -53.3 | 0 | 0 | 0 | 0 | 109.3 | G87 R89 C97 | C83-G87 WeakPolarHBondContact CB-O 3.5Å; C83-R89 WeakPolarHBondContact SG-CG 3.35Å; C83-C97 VanDerWaalsContact CA-SG 3.56Å; C83-C97 HydrophobicContact CB-CB 3.92Å; C83-C97 WeakPolarHBondContact CB-SG 3.15Å; C83-C97 VanDerWaalsContact SG-CA 3.56Å; C83-C97 WeakPolarHBondContact SG-CB 3.47Å; C83-C97 CovalentContact SG-SG 2.03Å; C83-C97 PolarHBondContact SG-SG 2.89Å |
| 84 | L | 93.7 | Very high | 85.3 | Confident | 85 Ų | 85 | 82.1 Ų | 82.1 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 170.7 | 179.2 | -54.6 | -179.6 | 0 | 0 | 0 | 111.2 | G86 G87 L107 C108 E109 | L84-G86 PolarHBondContact O-N 3.02Å; L84-G87 PolarHBondContact O-N 2.58Å; L84-L107 WeakPolarHBondContact CB-O 3.35Å; L84-L107 PolarHBondContact N-O 3.47Å; L84-C108 WeakPolarHBondContact O-CB 3.23Å; L84-E109 HydrophobicContact CD1-CB 4.06Å |
| 85 | N | 94.8 | Very high | 85.1 | Confident | 74 Ų | 74 | 83 Ų | 83 | 40% | 0.396 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 28.3 | 165.5 | -56.8 | -49.7 | 0 | 0 | 0 | 116.1 | P100 W103 C108 | N85-P100 VanDerWaalsContact O-CG 3.22Å; N85-P100 WeakPolarHBondContact O-CG 3.31Å; N85-W103 HydrophobicContact CB-CD2 3.54Å; N85-W103 HydrophobicContact CB-CE3 3.9Å; N85-W103 HydrophobicContact CB-CG 3.84Å; N85-W103 HydrophobicContact CB-CH2 4.47Å; N85-W103 HydrophobicContact CB-CZ2 4.15Å; N85-W103 HydrophobicContact CB-CZ3 4.35Å; N85-W103 WeakPolarHBondContact ND2-CZ3 3.46Å; N85-C108 PolarHBondContact ND2-O 3.41Å |
| 86 | G | 90.6 | Very high | 85.2 | Confident | 64 Ų | 64 | 77.8 Ų | 77.8 | 66% | 0.66 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 11.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | L84 | L84-G86 PolarHBondContact O-N 3.02Š|
| 87 | G | 92.4 | Very high | 85.4 | Confident | 14 Ų | 14 | 76.1 Ų | 76.1 | 14% | 0.144 | 39% | 0.389 | C | S | . | . | trans | -66 | 156.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | C83 L84 V98 | C83-G87 WeakPolarHBondContact CB-O 3.5Å; L84-G87 PolarHBondContact O-N 2.58Å; G87-V98 VanDerWaalsContact CA-O 3.24Å; G87-V98 WeakPolarHBondContact CA-O 3.24Å | ||
| 88 | Y | 90.3 | Very high | 85.6 | Confident | 144 Ų | 144 | 78.2 Ų | 78.2 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 149.4 | 176.2 | 66.9 | -85.8 | 0 | 0 | 0 | 111 | V98 | Y88-V98 HydrophobicContact CD1-CB 4.38Å; Y88-V98 HydrophobicContact CE1-CB 3.95Å; Y88-V98 HydrophobicContact CE1-CG1 3.9Å; Y88-V98 HydrophobicContact CE2-CB 4.15Å; Y88-V98 HydrophobicContact CE2-CG2 4.37Å; Y88-V98 PolarHBondContact N-O 2.96Å; Y88-V98 VanDerWaalsContact N-O 3.07Å; Y88-V98 PolarHBondContact O-N 2.7Å |
| 89 | R | 87.3 | Confident | 85.9 | Confident | 64 Ų | 64 | 74.1 Ų | 74.1 | 24% | 0.242 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128.5 | 176.9 | -68.4 | -166 | 168.4 | -86.8 | 0.2 | 110.8 | P81 C83 L95 R96 C97 | P81-R89 VanDerWaalsContact O-CZ 3.23Å; P81-R89 PolarHBondContact O-NE 3.11Å; P81-R89 PolarHBondContact O-NH2 2.75Å; C83-R89 WeakPolarHBondContact SG-CG 3.35Å; R89-L95 WeakPolarHBondContact CB-O 3.46Å; R89-L95 WeakPolarHBondContact CD-O 3.48Å; R89-L95 WeakPolarHBondContact CG-O 3.31Å; R89-L95 PolarHBondContact NH1-O 2.87Å; R89-R96 WeakPolarHBondContact CA-O 3.4Å; R89-C97 VanDerWaalsContact CZ-SG 3.58Å |
| 90 | S | 83 | Confident | 86.3 | Confident | 21 Ų | 21 | 70 Ų | 70 | 15% | 0.147 | 38% | 0.38 | C | S | . | . | trans | -97.1 | 116.9 | 176 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | S92 I93 L95 R96 | S90-S92 PolarHBondContact O-N 3.25Å; S90-S92 VanDerWaalsContact O-N 3.16Å; S90-S92 PolarHBondContact OG-N 3.12Å; S90-I93 PolarHBondContact O-N 3.1Å; S90-L95 WeakPolarHBondContact O-CA 3.48Å; S90-L95 PolarHBondContact O-N 3.03Å; S90-R96 PolarHBondContact N-O 2.89Å | ||
| 91 | F | 75.1 | Confident | 86.7 | Confident | 185 Ų | 185 | 77 Ų | 77 | 81% | 0.811 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.7 | 173 | -66 | -75.2 | 0 | 0 | 0 | 113.1 | L95 | F91-L95 HydrophobicContact CD1-CD2 3.6Å; F91-L95 HydrophobicContact CE1-CD2 3.78Å |
| 92 | S | 76.2 | Confident | 87 | Confident | 116 Ų | 116 | 76.9 Ų | 76.9 | 81% | 0.811 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.1 | -179.5 | -49.2 | 0 | 0 | 0 | 0 | 114.4 | S90 | S90-S92 PolarHBondContact O-N 3.25Å; S90-S92 VanDerWaalsContact O-N 3.16Å; S90-S92 PolarHBondContact OG-N 3.12Å |
| 93 | I | 73.7 | Confident | 87.3 | Confident | 81 Ų | 81 | 75.1 Ų | 75.1 | 42% | 0.415 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.2 | 66.3 | -172.9 | -44.5 | 175.9 | 0 | 0 | 0 | 109.5 | S90 L95 R96 V98 | S90-I93 PolarHBondContact O-N 3.1Å; I93-L95 PolarHBondContact O-N 2.87Å; I93-R96 VanDerWaalsContact O-CB 3.27Å; I93-R96 WeakPolarHBondContact O-CB 3.43Å; I93-R96 VanDerWaalsContact O-CG 3.27Å; I93-R96 WeakPolarHBondContact O-CG 3.49Å; I93-R96 PolarHBondContact O-N 2.73Å; I93-V98 HydrophobicContact CD1-CG2 4.34Å |
| 94 | D | 75.5 | Confident | 87.4 | Confident | 122 Ų | 122 | 74.3 Ų | 74.3 | 65% | 0.652 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47 | 37.4 | 178.8 | -50.2 | -31.7 | 0 | 0 | 0 | 115 | R96 | D94-R96 HydrophobicContact CB-CG 4.24Å; D94-R96 PolarHBondContact O-N 3.08Å; D94-R96 IonicContact OD2-CZ 2.62Å; D94-R96 IonicContact OD2-NE 3.67Å; D94-R96 PolarHBondContact OD2-NE 3.32Å; D94-R96 IonicContact OD2-NH2 2.66Å; D94-R96 PolarHBondContact OD2-NH2 3.37Å |
| 95 | L | 78.7 | Confident | 87.3 | Confident | 53 Ų | 53 | 71.8 Ų | 71.8 | 28% | 0.277 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 7.7 | -173.2 | -67 | 157.6 | 0 | 0 | 0 | 115.1 | D74 R89 S90 F91 I93 | D74-L95 HydrophobicContact CB-CD1 4.15Å; R89-L95 WeakPolarHBondContact CB-O 3.46Å; R89-L95 WeakPolarHBondContact CD-O 3.48Å; R89-L95 WeakPolarHBondContact CG-O 3.31Å; R89-L95 PolarHBondContact NH1-O 2.87Å; S90-L95 WeakPolarHBondContact O-CA 3.48Å; S90-L95 PolarHBondContact O-N 3.03Å; F91-L95 HydrophobicContact CD1-CD2 3.6Å; F91-L95 HydrophobicContact CE1-CD2 3.78Å; I93-L95 PolarHBondContact O-N 2.87Å |
| 96 | R | 85.1 | Confident | 87.1 | Confident | 103 Ų | 103 | 73.4 Ų | 73.4 | 39% | 0.389 | 40% | 0.397 | S | S | . | . | trans | -62.1 | 153.4 | -176.4 | -60.1 | -179.9 | -156.4 | -173.6 | 12.3 | 111.9 | R89 S90 I93 D94 D122 | R89-R96 WeakPolarHBondContact CA-O 3.4Å; S90-R96 PolarHBondContact N-O 2.89Å; I93-R96 VanDerWaalsContact O-CB 3.27Å; I93-R96 WeakPolarHBondContact O-CB 3.43Å; I93-R96 VanDerWaalsContact O-CG 3.27Å; I93-R96 WeakPolarHBondContact O-CG 3.49Å; I93-R96 PolarHBondContact O-N 2.73Å; D94-R96 HydrophobicContact CB-CG 4.24Å; D94-R96 PolarHBondContact O-N 3.08Å; D94-R96 IonicContact OD2-CZ 2.62Å; D94-R96 IonicContact OD2-NE 3.67Å; D94-R96 PolarHBondContact OD2-NE 3.32Å; D94-R96 IonicContact OD2-NH2 2.66Å; D94-R96 PolarHBondContact OD2-NH2 3.37Å; R96-D122 IonicContact NH1-OD2 3.48Å; R96-D122 IonicContact NH2-OD2 2.62Å | ||
| 97 | C | 89.5 | Confident | 87.1 | Confident | 17 Ų | 17 | 72.3 Ų | 72.3 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 136.5 | 172.2 | -68.2 | 0 | 0 | 0 | 0 | 110.8 | C83 R89 | C83-C97 VanDerWaalsContact CA-SG 3.56Å; C83-C97 HydrophobicContact CB-CB 3.92Å; C83-C97 WeakPolarHBondContact CB-SG 3.15Å; C83-C97 VanDerWaalsContact SG-CA 3.56Å; C83-C97 WeakPolarHBondContact SG-CB 3.47Å; C83-C97 CovalentContact SG-SG 2.03Å; C83-C97 PolarHBondContact SG-SG 2.89Å; R89-C97 VanDerWaalsContact CZ-SG 3.58Å |
| 98 | V | 90.4 | Very high | 87.2 | Confident | 44 Ų | 44 | 71.7 Ų | 71.7 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 123.2 | 168.3 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | G87 Y88 I93 | G87-V98 VanDerWaalsContact CA-O 3.24Å; G87-V98 WeakPolarHBondContact CA-O 3.24Å; Y88-V98 HydrophobicContact CD1-CB 4.38Å; Y88-V98 HydrophobicContact CE1-CB 3.95Å; Y88-V98 HydrophobicContact CE1-CG1 3.9Å; Y88-V98 HydrophobicContact CE2-CB 4.15Å; Y88-V98 HydrophobicContact CE2-CG2 4.37Å; Y88-V98 PolarHBondContact N-O 2.96Å; Y88-V98 VanDerWaalsContact N-O 3.07Å; Y88-V98 PolarHBondContact O-N 2.7Å; I93-V98 HydrophobicContact CD1-CG2 4.34Å |
| 99 | C | 92.5 | Very high | 87.4 | Confident | 23 Ų | 23 | 68 Ų | 68 | 16% | 0.155 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -101.4 | 140.9 | -167.4 | -55.3 | 0 | 0 | 0 | 0 | 113 | K101 W103 C108 | C99-K101 PolarHBondContact O-N 2.88Å; C99-W103 HydrophobicContact CB-CB 4.48Å; C99-W103 VanDerWaalsContact CB-O 3.23Å; C99-W103 WeakPolarHBondContact CB-O 3.48Å; C99-C108 WeakPolarHBondContact CA-SG 3.03Å; C99-C108 HydrophobicContact CB-CB 3.73Å; C99-C108 WeakPolarHBondContact CB-SG 3.08Å; C99-C108 WeakPolarHBondContact SG-CA 3.43Å; C99-C108 WeakPolarHBondContact SG-CB 3.01Å; C99-C108 CovalentContact SG-SG 2.04Å; C99-C108 PolarHBondContact SG-SG 3.05Å |
| 100 | P | 93 | Very high | 87.7 | Confident | 53 Ų | 53 | 67.7 Ų | 67.7 | 34% | 0.344 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 123.6 | 170.6 | 30.2 | -32.6 | 0 | 0 | 0 | 109.6 | N85 W103 | N85-P100 VanDerWaalsContact O-CG 3.22Å; N85-P100 WeakPolarHBondContact O-CG 3.31Å; P100-W103 WeakPolarHBondContact O-CB 3.41Å; P100-W103 PolarHBondContact O-N 3.07Å |
| 101 | K | 92.2 | Very high | 88.3 | Confident | 166 Ų | 166 | 71.5 Ų | 71.5 | 72% | 0.722 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 137.8 | 178 | -62.2 | -174.1 | 178.5 | -173 | 0 | 110.5 | C99 L117 | C99-K101 PolarHBondContact O-N 2.88Å; K101-L117 HydrophobicContact CG-CD1 4.36Å |
| 102 | P | 93.1 | Very high | 89.2 | Confident | 47 Ų | 47 | 63 Ų | 63 | 31% | 0.305 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -97.6 | 23.3 | 9.4 | 40.7 | -37.6 | 0 | 0 | 0 | 114.6 | Y111 C112 | P102-Y111 HydrophobicContact CG-CD2 4.02Å; P102-Y111 HydrophobicContact CG-CE2 3.42Å; P102-Y111 VanDerWaalsContact CG-CE2 3.42Å; P102-C112 HydrophobicContact CB-CB 4.37Å; P102-C112 WeakPolarHBondContact O-CB 3.37Å; P102-C112 PolarHBondContact O-N 2.92Å |
| 103 | W | 94.9 | Very high | 90 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 28% | 0.28 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 146.8 | 172.4 | -61 | 93.9 | 0 | 0 | 0 | 111.7 | N85 C99 P100 C108 K110 Y111 | N85-W103 HydrophobicContact CB-CD2 3.54Å; N85-W103 HydrophobicContact CB-CE3 3.9Å; N85-W103 HydrophobicContact CB-CG 3.84Å; N85-W103 HydrophobicContact CB-CH2 4.47Å; N85-W103 HydrophobicContact CB-CZ2 4.15Å; N85-W103 HydrophobicContact CB-CZ3 4.35Å; N85-W103 WeakPolarHBondContact ND2-CZ3 3.46Å; C99-W103 HydrophobicContact CB-CB 4.48Å; C99-W103 VanDerWaalsContact CB-O 3.23Å; C99-W103 WeakPolarHBondContact CB-O 3.48Å; P100-W103 WeakPolarHBondContact O-CB 3.41Å; P100-W103 PolarHBondContact O-N 3.07Å; W103-C108 HydrophobicContact CB-CB 4.47Å; W103-K110 CarbonylContact C-O 3.58Å; W103-K110 VanDerWaalsContact CA-O 3.27Å; W103-K110 WeakPolarHBondContact CA-O 3.44Å; W103-Y111 AromaticContact CD2-CD2 3.84Å; W103-Y111 HydrophobicContact CD2-CD2 3.84Å; W103-Y111 AromaticContact CE2-CD2 3.6Å; W103-Y111 HydrophobicContact CE3-CD2 4.15Å; W103-Y111 HydrophobicContact CG-CD2 4.43Å; W103-Y111 HydrophobicContact CH2-CD2 4.02Å; W103-Y111 HydrophobicContact CH2-CG 4.41Å; W103-Y111 AromaticContact CZ2-CD2 3.71Å; W103-Y111 HydrophobicContact CZ2-CD2 3.71Å; W103-Y111 HydrophobicContact CZ2-CE2 4.35Å; W103-Y111 HydrophobicContact CZ3-CD2 4.23Å; W103-Y111 HydrophobicContact CZ3-CG 4.42Å |
| 104 | F | 93.8 | Very high | 90.8 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 4% | 0.044 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | -177.2 | 179.3 | 74.5 | -68.7 | 0 | 0 | 0 | 110.8 | C108 E109 K110 C112 L117 E124 C126 E135 E136 | F104-C108 CarbonylContact O-C 3.58Å; F104-C108 VanDerWaalsContact O-C 3.31Å; F104-C108 WeakPolarHBondContact O-CA 3.34Å; F104-E109 PolarHBondContact O-N 2.03Å; F104-K110 HydrophobicContact CD1-CB 3.69Å; F104-K110 WeakPolarHBondContact CD1-O 3.34Å; F104-K110 HydrophobicContact CD2-CB 4.4Å; F104-K110 HydrophobicContact CE1-CB 3.36Å; F104-K110 HydrophobicContact CE2-CB 4.12Å; F104-K110 HydrophobicContact CE2-CD 3.98Å; F104-K110 HydrophobicContact CG-CB 4.2Å; F104-K110 HydrophobicContact CZ-CB 3.59Å; F104-K110 HydrophobicContact CZ-CD 3.89Å; F104-K110 HydrophobicContact CZ-CG 4.37Å; F104-K110 PolarHBondContact N-O 2.79Å; F104-K110 PolarHBondContact O-N 2.74Å; F104-C112 HydrophobicContact CD1-CB 4.08Å; F104-C112 HydrophobicContact CE1-CB 4.01Å; F104-L117 HydrophobicContact CB-CD1 4.07Å; F104-L117 HydrophobicContact CB-CD2 3.61Å; F104-L117 HydrophobicContact CD1-CD2 3.67Å; F104-L117 HydrophobicContact CD2-CD2 4.1Å; F104-L117 HydrophobicContact CE1-CD2 4.36Å; F104-L117 HydrophobicContact CG-CD2 3.53Å; F104-E124 HydrophobicContact CB-CB 4.48Å; F104-C126 HydrophobicContact CE1-CB 4.11Å; F104-C126 HydrophobicContact CE2-CB 4.41Å; F104-C126 HydrophobicContact CZ-CB 3.9Å; F104-E135 WeakPolarHBondContact CZ-O 3.22Å; F104-E136 HydrophobicContact CE1-CG 4.39Å; F104-E136 HydrophobicContact CZ-CG 4.34Å |
| 105 | G | 91.1 | Very high | 91.6 | Very high | 32 Ų | 32 | 53.3 Ų | 53.3 | 33% | 0.33 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 107.5 | -173.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E109 | G105-E109 WeakPolarHBondContact CA-OE1 3.31Å; G105-E109 WeakPolarHBondContact CA-OE2 3.36Å |
| 106 | T | 89.8 | Confident | 92.4 | Very high | 108 Ų | 108 | 55 Ų | 55 | 66% | 0.663 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -79.7 | -25.2 | -174.4 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | E109 | T106-E109 PolarHBondContact N-OE1 2.87Å; T106-E109 PolarHBondContact N-OE2 3.27Å; T106-E109 PolarHBondContact OG1-OE1 2.94Å |
| 107 | L | 92 | Very high | 92.7 | Very high | 42 Ų | 42 | 51.2 Ų | 51.2 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -128 | 16 | -179.8 | -57.2 | 178.7 | 0 | 0 | 0 | 111.3 | P81 L84 E109 | P81-L107 HydrophobicContact CB-CD1 3.76Å; P81-L107 HydrophobicContact CB-CD2 3.86Å; P81-L107 HydrophobicContact CB-CG 4.5Å; P81-L107 HydrophobicContact CG-CD1 4.29Å; P81-L107 HydrophobicContact CG-CD2 4.42Å; L84-L107 WeakPolarHBondContact CB-O 3.35Å; L84-L107 PolarHBondContact N-O 3.47Å; L107-E109 VanDerWaalsContact C-N 3.25Å; L107-E109 WeakPolarHBondContact CA-OE2 3.02Å; L107-E109 PolarHBondContact N-OE2 2.85Å; L107-E109 PolarHBondContact O-N 3.34Å |
| 108 | C | 93.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | 62.1 | 31 | -173 | -46 | 0 | 0 | 0 | 0 | 113.8 | L84 N85 C99 W103 F104 | L84-C108 WeakPolarHBondContact O-CB 3.23Å; N85-C108 PolarHBondContact ND2-O 3.41Å; C99-C108 WeakPolarHBondContact CA-SG 3.03Å; C99-C108 HydrophobicContact CB-CB 3.73Å; C99-C108 WeakPolarHBondContact CB-SG 3.08Å; C99-C108 WeakPolarHBondContact SG-CA 3.43Å; C99-C108 WeakPolarHBondContact SG-CB 3.01Å; C99-C108 CovalentContact SG-SG 2.04Å; C99-C108 PolarHBondContact SG-SG 3.05Å; W103-C108 HydrophobicContact CB-CB 4.47Å; F104-C108 CarbonylContact O-C 3.58Å; F104-C108 VanDerWaalsContact O-C 3.31Å; F104-C108 WeakPolarHBondContact O-CA 3.34Å |
| 109 | E | 94.2 | Very high | 92.8 | Very high | 67 Ų | 67 | 58 Ų | 58 | 31% | 0.313 | 31% | 0.309 | S | S | . | . | trans | -77.8 | -20 | -174.5 | 71.9 | -74.4 | -175.6 | 0 | 0 | 114.5 | L84 F104 G105 T106 L107 | L84-E109 HydrophobicContact CD1-CB 4.06Å; F104-E109 PolarHBondContact O-N 2.03Å; G105-E109 WeakPolarHBondContact CA-OE1 3.31Å; G105-E109 WeakPolarHBondContact CA-OE2 3.36Å; T106-E109 PolarHBondContact N-OE1 2.87Å; T106-E109 PolarHBondContact N-OE2 3.27Å; T106-E109 PolarHBondContact OG1-OE1 2.94Å; L107-E109 VanDerWaalsContact C-N 3.25Å; L107-E109 WeakPolarHBondContact CA-OE2 3.02Å; L107-E109 PolarHBondContact N-OE2 2.85Å; L107-E109 PolarHBondContact O-N 3.34Å | ||
| 110 | K | 94.9 | Very high | 92.5 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 146.8 | -173.9 | -55.2 | -168.1 | -177.7 | 179.7 | 0 | 112.7 | W103 F104 E135 E136 | W103-K110 CarbonylContact C-O 3.58Å; W103-K110 VanDerWaalsContact CA-O 3.27Å; W103-K110 WeakPolarHBondContact CA-O 3.44Å; F104-K110 HydrophobicContact CD1-CB 3.69Å; F104-K110 WeakPolarHBondContact CD1-O 3.34Å; F104-K110 HydrophobicContact CD2-CB 4.4Å; F104-K110 HydrophobicContact CE1-CB 3.36Å; F104-K110 HydrophobicContact CE2-CB 4.12Å; F104-K110 HydrophobicContact CE2-CD 3.98Å; F104-K110 HydrophobicContact CG-CB 4.2Å; F104-K110 HydrophobicContact CZ-CB 3.59Å; F104-K110 HydrophobicContact CZ-CD 3.89Å; F104-K110 HydrophobicContact CZ-CG 4.37Å; F104-K110 PolarHBondContact N-O 2.79Å; F104-K110 PolarHBondContact O-N 2.74Å; K110-E135 IonicContact NZ-OE2 3.96Å; K110-E135 PolarHBondContact NZ-OE2 2.83Å; K110-E136 VanDerWaalsContact CA-OE1 3.22Å; K110-E136 WeakPolarHBondContact CA-OE1 3.18Å; K110-E136 HydrophobicContact CB-CG 4.11Å |
| 111 | Y | 94.7 | Very high | 92 | Very high | 101 Ų | 101 | 66.6 Ų | 66.6 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 116.7 | -178.5 | -175.4 | -96.6 | 0 | 0 | 0 | 111.7 | P102 W103 A113 E136 | P102-Y111 HydrophobicContact CG-CD2 4.02Å; P102-Y111 HydrophobicContact CG-CE2 3.42Å; P102-Y111 VanDerWaalsContact CG-CE2 3.42Å; W103-Y111 AromaticContact CD2-CD2 3.84Å; W103-Y111 HydrophobicContact CD2-CD2 3.84Å; W103-Y111 AromaticContact CE2-CD2 3.6Å; W103-Y111 HydrophobicContact CE3-CD2 4.15Å; W103-Y111 HydrophobicContact CG-CD2 4.43Å; W103-Y111 HydrophobicContact CH2-CD2 4.02Å; W103-Y111 HydrophobicContact CH2-CG 4.41Å; W103-Y111 AromaticContact CZ2-CD2 3.71Å; W103-Y111 HydrophobicContact CZ2-CD2 3.71Å; W103-Y111 HydrophobicContact CZ2-CE2 4.35Å; W103-Y111 HydrophobicContact CZ3-CD2 4.23Å; W103-Y111 HydrophobicContact CZ3-CG 4.42Å; Y111-A113 HydrophobicContact CD1-CB 3.88Å; Y111-A113 HydrophobicContact CE1-CB 3.99Å; Y111-A113 PolarHBondContact O-N 2.73Å; Y111-E136 PolarHBondContact N-OE1 3.22Å; Y111-E136 WeakPolarHBondContact O-CB 3.33Å |
| 112 | C | 94.9 | Very high | 91.5 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 5% | 0.047 | 34% | 0.336 | C | S | . | . | trans | -79 | 91.4 | 178.8 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | P102 F104 L117 C126 | P102-C112 HydrophobicContact CB-CB 4.37Å; P102-C112 WeakPolarHBondContact O-CB 3.37Å; P102-C112 PolarHBondContact O-N 2.92Å; F104-C112 HydrophobicContact CD1-CB 4.08Å; F104-C112 HydrophobicContact CE1-CB 4.01Å; C112-L117 HydrophobicContact CB-CD1 4.49Å; C112-L117 HydrophobicContact CB-CD2 3.63Å; C112-L117 HydrophobicContact CB-CG 3.8Å; C112-C126 WeakPolarHBondContact CA-SG 3.44Å; C112-C126 HydrophobicContact CB-CB 3.72Å; C112-C126 WeakPolarHBondContact CB-SG 3.35Å; C112-C126 WeakPolarHBondContact SG-CB 3.4Å; C112-C126 CovalentContact SG-SG 2.03Å; C112-C126 PolarHBondContact SG-SG 3.36Å | ||
| 113 | A | 91.4 | Very high | 91 | Very high | 43 Ų | 43 | 67.8 Ų | 67.8 | 36% | 0.355 | 35% | 0.345 | S | S | . | . | trans | -77.4 | -61.4 | -167.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y111 E136 | Y111-A113 HydrophobicContact CD1-CB 3.88Å; Y111-A113 HydrophobicContact CE1-CB 3.99Å; Y111-A113 PolarHBondContact O-N 2.73Å; A113-E136 PolarHBondContact N-O 3.17Å | ||
| 114 | N | 91.1 | Very high | 90.8 | Very high | 58 Ų | 58 | 68 Ų | 68 | 31% | 0.31 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -114.3 | 43.8 | -176.9 | -55.3 | -76.2 | 0 | 0 | 0 | 111.4 | R129 F132 C137 | N114-R129 WeakPolarHBondContact O-CB 3.39Å; N114-R129 WeakPolarHBondContact O-CG 3.07Å; N114-R129 PolarHBondContact O-N 2.9Å; N114-F132 HydrophobicContact CB-CB 4.08Å; N114-F132 HydrophobicContact CB-CD1 3.56Å; N114-F132 HydrophobicContact CB-CD2 3.92Å; N114-F132 HydrophobicContact CB-CE1 3.92Å; N114-F132 HydrophobicContact CB-CE2 4.26Å; N114-F132 HydrophobicContact CB-CG 3.56Å; N114-F132 HydrophobicContact CB-CZ 4.26Å; N114-C137 HydrophobicContact CB-CB 4.29Å; N114-C137 WeakPolarHBondContact CB-O 3.36Å; N114-C137 PolarHBondContact ND2-O 3.44Å |
| 115 | G | 93 | Very high | 90.7 | Very high | 14 Ų | 14 | 71.3 Ų | 71.3 | 14% | 0.144 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | -164.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q127 | G115-Q127 CarbonylContact C-O 3.59Å; G115-Q127 WeakPolarHBondContact CA-O 3.36Å |
| 116 | V | 93.9 | Very high | 90.8 | Very high | 88 Ų | 88 | 70.1 Ų | 70.1 | 53% | 0.533 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 130.6 | 171.6 | -179.6 | 0 | 0 | 0 | 0 | 108 | I118 Q127 | V116-I118 HydrophobicContact CG1-CG1 4.39Å; V116-I118 PolarHBondContact O-N 3.44Å; V116-Q127 PolarHBondContact N-O 3.28Å; V116-Q127 PolarHBondContact O-N 3.36Å |
| 117 | L | 93.4 | Very high | 91.1 | Very high | 24 Ų | 24 | 70.8 Ų | 70.8 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 119.1 | 172.8 | -72.2 | 178.2 | 0 | 0 | 0 | 110.6 | K101 F104 C112 C126 | K101-L117 HydrophobicContact CG-CD1 4.36Å; F104-L117 HydrophobicContact CB-CD1 4.07Å; F104-L117 HydrophobicContact CB-CD2 3.61Å; F104-L117 HydrophobicContact CD1-CD2 3.67Å; F104-L117 HydrophobicContact CD2-CD2 4.1Å; F104-L117 HydrophobicContact CE1-CD2 4.36Å; F104-L117 HydrophobicContact CG-CD2 3.53Å; C112-L117 HydrophobicContact CB-CD1 4.49Å; C112-L117 HydrophobicContact CB-CD2 3.63Å; C112-L117 HydrophobicContact CB-CG 3.8Å; L117-C126 HydrophobicContact CD2-CB 4.16Å |
| 118 | I | 92.1 | Very high | 91.2 | Very high | 72 Ų | 72 | 70.6 Ų | 70.6 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 131.1 | 177.2 | -59.2 | -177.7 | 0 | 0 | 0 | 108.4 | V116 L125 Q127 | V116-I118 HydrophobicContact CG1-CG1 4.39Å; V116-I118 PolarHBondContact O-N 3.44Å; I118-L125 PolarHBondContact N-O 2.78Å; I118-L125 PolarHBondContact O-N 2.62Å; I118-Q127 HydrophobicContact CD1-CB 3.82Å; I118-Q127 HydrophobicContact CG1-CB 4.42Å |
| 119 | K | 89.5 | Confident | 91.2 | Very high | 132 Ų | 132 | 78.7 Ų | 78.7 | 57% | 0.574 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 112.9 | 174.7 | -175.2 | 168.5 | -179.9 | 171.5 | 0 | 109.8 | H121 Y123 E124 | K119-H121 WeakPolarHBondContact CE-O 3.01Å; K119-H121 WeakPolarHBondContact CG-O 3.22Å; K119-Y123 CarbonylContact C-O 3.59Å; K119-Y123 WeakPolarHBondContact CA-O 3.15Å; K119-E124 HydrophobicContact CB-CG 4.36Å; K119-E124 HydrophobicContact CG-CG 4.41Å |
| 120 | Q | 85.6 | Confident | 91.1 | Very high | 91 Ų | 91 | 83.6 Ų | 83.6 | 43% | 0.425 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 103.8 | 175.1 | -172.7 | 175.4 | 8.9 | 0 | 0 | 108.6 | D122 Y123 | Q120-D122 PolarHBondContact O-N 2.97Å; Q120-D122 VanDerWaalsContact O-N 3.12Å; Q120-Y123 HydrophobicContact CB-CD2 4.36Å; Q120-Y123 HydrophobicContact CB-CE2 3.76Å; Q120-Y123 HydrophobicContact CG-CE2 4.26Å; Q120-Y123 PolarHBondContact N-O 2.04Å; Q120-Y123 VanDerWaalsContact O-CD1 3.3Å; Q120-Y123 WeakPolarHBondContact O-CD1 3.05Å; Q120-Y123 WeakPolarHBondContact O-CE1 3.26Å; Q120-Y123 PolarHBondContact O-N 2.92Å; Q120-Y123 PolarHBondContact OE1-OH 3.48Å |
| 121 | H | 82.2 | Confident | 91 | Very high | 165 Ų | 165 | 83.5 Ų | 83.5 | 76% | 0.764 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | -112 | -172.2 | -56.5 | 9.8 | 0 | 0 | 0 | 110.7 | K119 | K119-H121 WeakPolarHBondContact CE-O 3.01Å; K119-H121 WeakPolarHBondContact CG-O 3.22Å |
| 122 | D | 82 | Confident | 91 | Very high | 115 Ų | 115 | 80.5 Ų | 80.5 | 62% | 0.615 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -7.2 | -175.2 | -91.3 | 11.9 | 0 | 0 | 0 | 114.7 | R96 Q120 | R96-D122 IonicContact NH1-OD2 3.48Å; R96-D122 IonicContact NH2-OD2 2.62Å; Q120-D122 PolarHBondContact O-N 2.97Å; Q120-D122 VanDerWaalsContact O-N 3.12Å |
| 123 | Y | 83.6 | Confident | 90.9 | Very high | 122 Ų | 122 | 85.7 Ų | 85.7 | 48% | 0.478 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 155.9 | -179.9 | 63.1 | -93.7 | 0 | 0 | 0 | 112.3 | K119 Q120 L125 | K119-Y123 CarbonylContact C-O 3.59Å; K119-Y123 WeakPolarHBondContact CA-O 3.15Å; Q120-Y123 HydrophobicContact CB-CD2 4.36Å; Q120-Y123 HydrophobicContact CB-CE2 3.76Å; Q120-Y123 HydrophobicContact CG-CE2 4.26Å; Q120-Y123 PolarHBondContact N-O 2.04Å; Q120-Y123 VanDerWaalsContact O-CD1 3.3Å; Q120-Y123 WeakPolarHBondContact O-CD1 3.05Å; Q120-Y123 WeakPolarHBondContact O-CE1 3.26Å; Q120-Y123 PolarHBondContact O-N 2.92Å; Q120-Y123 PolarHBondContact OE1-OH 3.48Å; Y123-L125 HydrophobicContact CD2-CB 4.37Å; Y123-L125 HydrophobicContact CE2-CB 4.29Å |
| 124 | E | 89 | Confident | 91 | Very high | 80 Ų | 80 | 85.1 Ų | 85.1 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132 | 173.6 | -60.7 | -169.1 | 162 | 0 | 0 | 109.2 | F104 K119 | F104-E124 HydrophobicContact CB-CB 4.48Å; K119-E124 HydrophobicContact CB-CG 4.36Å; K119-E124 HydrophobicContact CG-CG 4.41Å |
| 125 | L | 91.5 | Very high | 91 | Very high | 78 Ų | 78 | 88.5 Ų | 88.5 | 41% | 0.408 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 134.8 | -177.9 | -178.3 | 63.2 | 0 | 0 | 0 | 109.2 | I118 Y123 Q127 | I118-L125 PolarHBondContact N-O 2.78Å; I118-L125 PolarHBondContact O-N 2.62Å; Y123-L125 HydrophobicContact CD2-CB 4.37Å; Y123-L125 HydrophobicContact CE2-CB 4.29Å; L125-Q127 PolarHBondContact O-N 3.48Å |
| 126 | C | 94.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 90.9 Ų | 90.9 | 5% | 0.047 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 106 | 171.1 | -171.4 | 0 | 0 | 0 | 0 | 109 | F104 C112 L117 C128 E135 C137 | F104-C126 HydrophobicContact CE1-CB 4.11Å; F104-C126 HydrophobicContact CE2-CB 4.41Å; F104-C126 HydrophobicContact CZ-CB 3.9Å; C112-C126 WeakPolarHBondContact CA-SG 3.44Å; C112-C126 HydrophobicContact CB-CB 3.72Å; C112-C126 WeakPolarHBondContact CB-SG 3.35Å; C112-C126 WeakPolarHBondContact SG-CB 3.4Å; C112-C126 CovalentContact SG-SG 2.03Å; C112-C126 PolarHBondContact SG-SG 3.36Å; L117-C126 HydrophobicContact CD2-CB 4.16Å; C126-C128 PolarHBondContact O-N 2.03Å; C126-E135 WeakPolarHBondContact CB-O 3.27Å; C126-C137 PolarHBondContact SG-SG 2.91Å |
| 127 | Q | 94.9 | Very high | 91.1 | Very high | 123 Ų | 123 | 86.7 Ų | 86.7 | 58% | 0.575 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 116.8 | 169 | -177.6 | 174.9 | 1.6 | 0 | 0 | 108.7 | G115 V116 I118 L125 | G115-Q127 CarbonylContact C-O 3.59Å; G115-Q127 WeakPolarHBondContact CA-O 3.36Å; V116-Q127 PolarHBondContact N-O 3.28Å; V116-Q127 PolarHBondContact O-N 3.36Å; I118-Q127 HydrophobicContact CD1-CB 3.82Å; I118-Q127 HydrophobicContact CG1-CB 4.42Å; L125-Q127 PolarHBondContact O-N 3.48Å |
| 128 | C | 94.8 | Very high | 91.1 | Very high | 38 Ų | 38 | 88.3 Ų | 88.3 | 26% | 0.257 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 149.9 | 179.5 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | C126 F132 G134 C137 | C126-C128 PolarHBondContact O-N 2.03Å; C128-F132 HydrophobicContact CB-CB 4.18Å; C128-F132 VanDerWaalsContact CB-O 3.26Å; C128-F132 WeakPolarHBondContact CB-O 3.04Å; C128-G134 PolarHBondContact SG-O 3.21Å; C128-C137 WeakPolarHBondContact CA-SG 3.44Å; C128-C137 HydrophobicContact CB-CB 3.77Å; C128-C137 WeakPolarHBondContact CB-SG 3.41Å; C128-C137 PolarHBondContact N-SG 3.18Å; C128-C137 VanDerWaalsContact N-SG 3.36Å; C128-C137 VanDerWaalsContact SG-CA 3.57Å; C128-C137 WeakPolarHBondContact SG-CB 3.03Å; C128-C137 CovalentContact SG-SG 2.03Å; C128-C137 PolarHBondContact SG-SG 3.33Å |
| 129 | R | 93.7 | Very high | 91.1 | Very high | 170 Ų | 170 | 88.9 Ų | 88.9 | 64% | 0.642 | 42% | 0.419 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 163.5 | 162.3 | -65.7 | 177.2 | -176 | -160 | 1 | 109.9 | N114 N131 F132 | N114-R129 WeakPolarHBondContact O-CB 3.39Å; N114-R129 WeakPolarHBondContact O-CG 3.07Å; N114-R129 PolarHBondContact O-N 2.9Å; R129-N131 PolarHBondContact O-N 2.85Å; R129-F132 HydrophobicContact CB-CD2 4.44Å; R129-F132 PolarHBondContact O-N 2.03Å; R129-F132 VanDerWaalsContact O-N 3.17Å |
| 130 | E | 92.8 | Very high | 91.3 | Very high | 169 Ų | 169 | 83.3 Ų | 83.3 | 79% | 0.79 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 137.2 | 173 | -65.4 | 173.2 | -164.1 | 0 | 0 | 111.1 | F132 | E130-F132 WeakPolarHBondContact O-CD2 3.4Å; E130-F132 PolarHBondContact O-N 2.97Å |
| 131 | N | 92.6 | Very high | 91.7 | Very high | 57 Ų | 57 | 82.5 Ų | 82.5 | 31% | 0.305 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 15.9 | 179 | -45.3 | -38.6 | 0 | 0 | 0 | 116 | R129 L141 F143 H164 | R129-N131 PolarHBondContact O-N 2.85Å; N131-L141 HydrophobicContact CB-CB 4.36Å; N131-L141 WeakPolarHBondContact O-CB 3.35Å; N131-L141 PolarHBondContact O-N 3.4Å; N131-F143 HydrophobicContact CB-CE2 4.38Å; N131-F143 WeakPolarHBondContact OD1-CZ 3.48Å; N131-H164 WeakPolarHBondContact CB-CE1 3.37Å; N131-H164 VanDerWaalsContact CB-ND1 3.34Å; N131-H164 WeakPolarHBondContact CB-ND1 3.01Å; N131-H164 PolarHBondContact O-CE1 3.38Å |
| 132 | F | 94.6 | Very high | 92.3 | Very high | 38 Ų | 38 | 75.8 Ų | 75.8 | 17% | 0.167 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 150.8 | 165.2 | -70.7 | -90 | 0 | 0 | 0 | 111.3 | N114 C128 R129 E130 C137 H139 I140 H164 | N114-F132 HydrophobicContact CB-CB 4.08Å; N114-F132 HydrophobicContact CB-CD1 3.56Å; N114-F132 HydrophobicContact CB-CD2 3.92Å; N114-F132 HydrophobicContact CB-CE1 3.92Å; N114-F132 HydrophobicContact CB-CE2 4.26Å; N114-F132 HydrophobicContact CB-CG 3.56Å; N114-F132 HydrophobicContact CB-CZ 4.26Å; C128-F132 HydrophobicContact CB-CB 4.18Å; C128-F132 VanDerWaalsContact CB-O 3.26Å; C128-F132 WeakPolarHBondContact CB-O 3.04Å; R129-F132 HydrophobicContact CB-CD2 4.44Å; R129-F132 PolarHBondContact O-N 2.03Å; R129-F132 VanDerWaalsContact O-N 3.17Å; E130-F132 WeakPolarHBondContact O-CD2 3.4Å; E130-F132 PolarHBondContact O-N 2.97Å; F132-C137 HydrophobicContact CB-CB 4.43Å; F132-H139 WeakPolarHBondContact CA-O 3.33Å; F132-I140 HydrophobicContact CD1-CB 4.26Å; F132-I140 HydrophobicContact CD1-CG1 4.41Å; F132-I140 HydrophobicContact CE1-CB 3.96Å; F132-I140 HydrophobicContact CE1-CD1 4.22Å; F132-I140 HydrophobicContact CE1-CG1 3.92Å; F132-I140 HydrophobicContact CZ-CD1 4.16Å; F132-I140 HydrophobicContact CZ-CG1 4.18Å; F132-H164 AromaticContact CE2-CE1 3.56Å; F132-H164 AromaticContact CE2-NE2 3.84Å; F132-H164 AromaticContact CZ-CE1 3.88Å |
| 133 | Y | 92.9 | Very high | 92.9 | Very high | 115 Ų | 115 | 73.8 Ų | 73.8 | 45% | 0.451 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 179 | -178.5 | 72.1 | -81.7 | 0 | 0 | 0 | 112.5 | C137 H139 L141 | Y133-C137 WeakPolarHBondContact O-CA 3.38Å; Y133-H139 HydrophobicContact CD1-CB 3.85Å; Y133-H139 HydrophobicContact CD2-CB 3.91Å; Y133-H139 AromaticContact CD2-CD2 3.94Å; Y133-H139 HydrophobicContact CE1-CB 3.62Å; Y133-H139 HydrophobicContact CE2-CB 3.7Å; Y133-H139 AromaticContact CE2-CD2 3.53Å; Y133-H139 HydrophobicContact CG-CB 3.98Å; Y133-H139 PolarHBondContact N-O 2.95Å; Y133-H139 WeakPolarHBondContact O-CB 3.35Å; Y133-H139 PolarHBondContact O-N 3.05Å; Y133-L141 HydrophobicContact CD1-CB 4.35Å; Y133-L141 HydrophobicContact CE1-CB 4.46Å |
| 134 | G | 92.6 | Very high | 93.4 | Very high | 31 Ų | 31 | 70.9 Ų | 70.9 | 32% | 0.32 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 91.2 | 162.5 | -168.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | C128 E136 C137 | C128-G134 PolarHBondContact SG-O 3.21Å; G134-E136 PolarHBondContact O-N 2.91Å; G134-C137 PolarHBondContact O-N 2.78Å |
| 135 | E | 92.3 | Very high | 93.5 | Very high | 129 Ų | 129 | 75 Ų | 75 | 60% | 0.603 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -28 | -177 | -61.7 | -172.7 | 170 | 0 | 0 | 113.1 | F104 K110 C126 | F104-E135 WeakPolarHBondContact CZ-O 3.22Å; K110-E135 IonicContact NZ-OE2 3.96Å; K110-E135 PolarHBondContact NZ-OE2 2.83Å; C126-E135 WeakPolarHBondContact CB-O 3.27Å |
| 136 | E | 93.9 | Very high | 93.6 | Very high | 65 Ų | 65 | 71.8 Ų | 71.8 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -2.8 | -179.8 | -66.2 | -171.3 | 103.3 | 0 | 0 | 112.9 | F104 K110 Y111 A113 G134 D138 | F104-E136 HydrophobicContact CE1-CG 4.39Å; F104-E136 HydrophobicContact CZ-CG 4.34Å; K110-E136 VanDerWaalsContact CA-OE1 3.22Å; K110-E136 WeakPolarHBondContact CA-OE1 3.18Å; K110-E136 HydrophobicContact CB-CG 4.11Å; Y111-E136 PolarHBondContact N-OE1 3.22Å; Y111-E136 WeakPolarHBondContact O-CB 3.33Å; A113-E136 PolarHBondContact N-O 3.17Å; G134-E136 PolarHBondContact O-N 2.91Å; E136-D138 PolarHBondContact O-N 2.85Å |
| 137 | C | 94.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.37 | C | S | . | . | S | Bend | trans | 55.6 | 34.2 | -172.2 | -49.3 | 0 | 0 | 0 | 0 | 113.1 | N114 C126 C128 F132 Y133 G134 | N114-C137 HydrophobicContact CB-CB 4.29Å; N114-C137 WeakPolarHBondContact CB-O 3.36Å; N114-C137 PolarHBondContact ND2-O 3.44Å; C126-C137 PolarHBondContact SG-SG 2.91Å; C128-C137 WeakPolarHBondContact CA-SG 3.44Å; C128-C137 HydrophobicContact CB-CB 3.77Å; C128-C137 WeakPolarHBondContact CB-SG 3.41Å; C128-C137 PolarHBondContact N-SG 3.18Å; C128-C137 VanDerWaalsContact N-SG 3.36Å; C128-C137 VanDerWaalsContact SG-CA 3.57Å; C128-C137 WeakPolarHBondContact SG-CB 3.03Å; C128-C137 CovalentContact SG-SG 2.03Å; C128-C137 PolarHBondContact SG-SG 3.33Å; F132-C137 HydrophobicContact CB-CB 4.43Å; Y133-C137 WeakPolarHBondContact O-CA 3.38Å; G134-C137 PolarHBondContact O-N 2.78Å |
| 138 | D | 92.4 | Very high | 93.6 | Very high | 58 Ų | 58 | 73 Ų | 73 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | trans | -86.1 | -21.6 | 176.7 | 77.3 | -58 | 0 | 0 | 0 | 112.5 | E136 | E136-D138 PolarHBondContact O-N 2.85Š| ||
| 139 | H | 92.6 | Very high | 93.4 | Very high | 84 Ų | 84 | 73.4 Ų | 73.4 | 39% | 0.389 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.6 | 178 | -54.3 | -6.3 | 0 | 0 | 0 | 110.7 | F132 Y133 | F132-H139 WeakPolarHBondContact CA-O 3.33Å; Y133-H139 HydrophobicContact CD1-CB 3.85Å; Y133-H139 HydrophobicContact CD2-CB 3.91Å; Y133-H139 AromaticContact CD2-CD2 3.94Å; Y133-H139 HydrophobicContact CE1-CB 3.62Å; Y133-H139 HydrophobicContact CE2-CB 3.7Å; Y133-H139 AromaticContact CE2-CD2 3.53Å; Y133-H139 HydrophobicContact CG-CB 3.98Å; Y133-H139 PolarHBondContact N-O 2.95Å; Y133-H139 WeakPolarHBondContact O-CB 3.35Å; Y133-H139 PolarHBondContact O-N 3.05Å |
| 140 | I | 93.9 | Very high | 93 | Very high | 14 Ų | 14 | 74.4 Ų | 74.4 | 7% | 0.072 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 132.2 | 177.4 | -169.7 | 173.5 | 0 | 0 | 0 | 110.5 | F132 P148 L163 H164 | F132-I140 HydrophobicContact CD1-CB 4.26Å; F132-I140 HydrophobicContact CD1-CG1 4.41Å; F132-I140 HydrophobicContact CE1-CB 3.96Å; F132-I140 HydrophobicContact CE1-CD1 4.22Å; F132-I140 HydrophobicContact CE1-CG1 3.92Å; F132-I140 HydrophobicContact CZ-CD1 4.16Å; F132-I140 HydrophobicContact CZ-CG1 4.18Å; I140-P148 HydrophobicContact CG2-CB 3.97Å; I140-L163 HydrophobicContact CD1-CD1 4.22Å; I140-L163 HydrophobicContact CD1-CG 4.1Å; I140-L163 WeakPolarHBondContact CD1-O 3.34Å; I140-H164 VanDerWaalsContact CG1-CE1 3.48Å; I140-H164 WeakPolarHBondContact CG1-CE1 3.45Å; I140-H164 WeakPolarHBondContact CG1-ND1 3.41Å |
| 141 | L | 94.4 | Very high | 92.5 | Very high | 75 Ų | 75 | 70.3 Ų | 70.3 | 39% | 0.393 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 132.7 | 170.6 | -175.4 | 63.2 | 0 | 0 | 0 | 109.6 | N131 Y133 F143 H164 | N131-L141 HydrophobicContact CB-CB 4.36Å; N131-L141 WeakPolarHBondContact O-CB 3.35Å; N131-L141 PolarHBondContact O-N 3.4Å; Y133-L141 HydrophobicContact CD1-CB 4.35Å; Y133-L141 HydrophobicContact CE1-CB 4.46Å; L141-F143 HydrophobicContact CD2-CE1 3.86Å; L141-F143 HydrophobicContact CD2-CZ 3.84Å; L141-F143 HydrophobicContact CG-CE1 4.31Å; L141-F143 HydrophobicContact CG-CZ 4.33Å; L141-H164 WeakPolarHBondContact O-CB 3.47Å; L141-H164 PolarHBondContact O-ND1 3.22Å |
| 142 | C | 95.3 | Very high | 92.1 | Very high | 24 Ų | 24 | 78.2 Ų | 78.2 | 16% | 0.162 | 40% | 0.404 | C | S | . | . | trans | -118.1 | 125.8 | 178 | -54.6 | 0 | 0 | 0 | 0 | 110.6 | G146 P148 C154 | C142-G146 WeakPolarHBondContact CB-O 3.35Å; C142-P148 VanDerWaalsContact SG-CA 3.51Å; C142-C154 WeakPolarHBondContact CA-SG 3.35Å; C142-C154 HydrophobicContact CB-CB 3.8Å; C142-C154 WeakPolarHBondContact CB-SG 3.44Å; C142-C154 WeakPolarHBondContact SG-CB 3.42Å; C142-C154 CovalentContact SG-SG 2.03Å; C142-C154 PolarHBondContact SG-SG 2.91Å | ||
| 143 | F | 94.3 | Very high | 91.9 | Very high | 73 Ų | 73 | 77 Ų | 77 | 32% | 0.32 | 40% | 0.403 | S | S | . | . | trans | -86.8 | 173.8 | 175.1 | -58 | -67.3 | 0 | 0 | 0 | 111.5 | N131 L141 H145 G146 H164 E166 | N131-F143 HydrophobicContact CB-CE2 4.38Å; N131-F143 WeakPolarHBondContact OD1-CZ 3.48Å; L141-F143 HydrophobicContact CD2-CE1 3.86Å; L141-F143 HydrophobicContact CD2-CZ 3.84Å; L141-F143 HydrophobicContact CG-CE1 4.31Å; L141-F143 HydrophobicContact CG-CZ 4.33Å; F143-H145 PolarHBondContact O-N 2.03Å; F143-G146 PolarHBondContact O-N 2.81Å; F143-H164 HydrophobicContact CD2-CB 3.72Å; F143-H164 WeakPolarHBondContact CD2-O 3.35Å; F143-H164 HydrophobicContact CE2-CB 3.87Å; F143-H164 PolarHBondContact N-O 2.86Å; F143-E166 HydrophobicContact CD2-CB 4.06Å | ||
| 144 | N | 93.5 | Very high | 92 | Very high | 60 Ų | 60 | 72.5 Ų | 72.5 | 32% | 0.321 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | 38.5 | 166.7 | -59.5 | -42.5 | 0 | 0 | 0 | 115.2 | G146 Y160 C165 | N144-G146 VanDerWaalsContact C-N 3.27Å; N144-G146 PolarHBondContact O-N 2.87Å; N144-Y160 HydrophobicContact CB-CD1 3.63Å; N144-Y160 HydrophobicContact CB-CD2 3.61Å; N144-Y160 HydrophobicContact CB-CE1 3.86Å; N144-Y160 HydrophobicContact CB-CE2 3.83Å; N144-Y160 HydrophobicContact CB-CG 3.5Å; N144-Y160 VanDerWaalsContact CB-CG 3.5Å; N144-Y160 VanDerWaalsContact CG-CE1 3.49Å; N144-Y160 WeakPolarHBondContact ND2-CD1 3.34Å; N144-C165 PolarHBondContact ND2-O 2.78Å |
| 145 | H | 92.2 | Very high | 92.1 | Very high | 166 Ų | 166 | 76.5 Ų | 76.5 | 77% | 0.769 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | 27.3 | -176 | -51 | -80.1 | 0 | 0 | 0 | 115.2 | F143 | F143-H145 PolarHBondContact O-N 2.03Š|
| 146 | G | 93.8 | Very high | 92.2 | Very high | 11 Ų | 11 | 72.5 Ų | 72.5 | 11% | 0.113 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 144.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | C142 F143 N144 L155 | C142-G146 WeakPolarHBondContact CB-O 3.35Å; F143-G146 PolarHBondContact O-N 2.81Å; N144-G146 VanDerWaalsContact C-N 3.27Å; N144-G146 PolarHBondContact O-N 2.87Å; G146-L155 CarbonylContact C-O 3.23Å; G146-L155 WeakPolarHBondContact CA-O 3.35Å |
| 147 | T | 94.7 | Very high | 92.2 | Very high | 84 Ų | 84 | 77.8 Ų | 77.8 | 52% | 0.515 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.5 | 179.6 | -58 | 0 | 0 | 0 | 0 | 110.6 | L155 | T147-L155 PolarHBondContact N-O 2.85Å; T147-L155 PolarHBondContact O-N 2.96Å |
| 148 | P | 93.7 | Very high | 91.9 | Very high | 73 Ų | 73 | 85.8 Ų | 85.8 | 47% | 0.474 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 133.2 | 177 | 27 | -33.4 | 0 | 0 | 0 | 111.5 | I140 C142 | I140-P148 HydrophobicContact CG2-CB 3.97Å; C142-P148 VanDerWaalsContact SG-CA 3.51Å |
| 149 | V | 90.7 | Very high | 91.8 | Very high | 45 Ų | 45 | 84.7 Ų | 84.7 | 27% | 0.273 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 119.5 | 174.9 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | G151 R152 G153 L155 | V149-G151 PolarHBondContact O-N 3.17Å; V149-R152 HydrophobicContact CB-CB 4.23Å; V149-R152 HydrophobicContact CG1-CB 3.94Å; V149-R152 HydrophobicContact CG1-CG 4.34Å; V149-R152 PolarHBondContact O-N 2.73Å; V149-G153 PolarHBondContact N-O 3.49Å; V149-G153 PolarHBondContact O-N 3.4Å; V149-L155 HydrophobicContact CG2-CD1 3.52Å; V149-L155 HydrophobicContact CG2-CG 3.63Å |
| 150 | K | 85.7 | Confident | 91.9 | Very high | 191 Ų | 191 | 84.1 Ų | 84.1 | 83% | 0.83 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 121.9 | -177.1 | -170.7 | 165.6 | -172.9 | 164.5 | 0 | 110.8 | R152 | K150-R152 VanDerWaalsContact C-N 3.3Å; K150-R152 PolarHBondContact O-N 3.37Å |
| 151 | G | 82.3 | Confident | 91.7 | Very high | 84 Ų | 84 | 85.7 Ų | 85.7 | 87% | 0.866 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 10.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | V149 | V149-G151 PolarHBondContact O-N 3.17Š|
| 152 | R | 84.4 | Confident | 91.5 | Very high | 222 Ų | 222 | 83.9 Ų | 83.9 | 84% | 0.838 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -132.3 | -7.7 | 178.7 | -66 | -173.4 | 177.2 | 171.6 | -0.3 | 115.8 | V149 K150 | V149-R152 HydrophobicContact CB-CB 4.23Å; V149-R152 HydrophobicContact CG1-CB 3.94Å; V149-R152 HydrophobicContact CG1-CG 4.34Å; V149-R152 PolarHBondContact O-N 2.73Å; K150-R152 VanDerWaalsContact C-N 3.3Å; K150-R152 PolarHBondContact O-N 3.37Å |
| 153 | G | 89.8 | Confident | 91.3 | Very high | 13 Ų | 13 | 87.5 Ų | 87.5 | 13% | 0.134 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 90.6 | -153.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V149 | V149-G153 PolarHBondContact N-O 3.49Å; V149-G153 PolarHBondContact O-N 3.4Å |
| 154 | C | 94.9 | Very high | 91.3 | Very high | 20 Ų | 20 | 84.7 Ų | 84.7 | 14% | 0.135 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 134.6 | -177.3 | -61.6 | 0 | 0 | 0 | 0 | 113 | C142 C156 L163 C165 | C142-C154 WeakPolarHBondContact CA-SG 3.35Å; C142-C154 HydrophobicContact CB-CB 3.8Å; C142-C154 WeakPolarHBondContact CB-SG 3.44Å; C142-C154 WeakPolarHBondContact SG-CB 3.42Å; C142-C154 CovalentContact SG-SG 2.03Å; C142-C154 PolarHBondContact SG-SG 2.91Å; C154-C156 PolarHBondContact O-N 2.96Å; C154-L163 WeakPolarHBondContact CB-O 3.43Å; C154-L163 PolarHBondContact N-O 3.27Å; C154-C165 WeakPolarHBondContact CB-SG 3.5Å |
| 155 | L | 95.3 | Very high | 91.3 | Very high | 116 Ų | 116 | 81.8 Ų | 81.8 | 61% | 0.607 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 103 | 166 | -73.5 | 176.6 | 0 | 0 | 0 | 109.6 | G146 T147 V149 | G146-L155 CarbonylContact C-O 3.23Å; G146-L155 WeakPolarHBondContact CA-O 3.35Å; T147-L155 PolarHBondContact N-O 2.85Å; T147-L155 PolarHBondContact O-N 2.96Å; V149-L155 HydrophobicContact CG2-CD1 3.52Å; V149-L155 HydrophobicContact CG2-CG 3.63Å |
| 156 | C | 94.3 | Very high | 91.3 | Very high | 45 Ų | 45 | 78 Ų | 78 | 30% | 0.304 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -80.3 | 141 | -176.7 | -51.2 | 0 | 0 | 0 | 0 | 113.2 | C154 Y160 C165 | C154-C156 PolarHBondContact O-N 2.96Å; C156-Y160 WeakPolarHBondContact CB-O 3.03Å; C156-C165 WeakPolarHBondContact CA-SG 3.41Å; C156-C165 HydrophobicContact CB-CB 3.73Å; C156-C165 WeakPolarHBondContact CB-SG 3.21Å; C156-C165 WeakPolarHBondContact SG-CA 3.45Å; C156-C165 WeakPolarHBondContact SG-CB 3.49Å; C156-C165 CovalentContact SG-SG 2.03Å; C156-C165 PolarHBondContact SG-SG 3.05Å |
| 157 | R | 93 | Very high | 91.2 | Very high | 176 Ų | 176 | 79.8 Ų | 79.8 | 66% | 0.664 | 42% | 0.421 | S | S | * | . | P | Polyproline II helix | trans | -85.7 | 130.5 | 170.4 | -176.5 | 176.3 | 178.9 | 165.4 | 1 | 109.3 | Y160 | R157-Y160 WeakPolarHBondContact O-CB 3.21Å; R157-Y160 WeakPolarHBondContact O-CD2 3.03Å; R157-Y160 PolarHBondContact O-N 3.18Å |
| 158 | F | 89.3 | Confident | 90.9 | Very high | 167 Ų | 167 | 79 Ų | 79 | 73% | 0.732 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 134.4 | 173.2 | -175.1 | -87.5 | 0 | 0 | 0 | 110.9 | L169 | F158-L169 HydrophobicContact CE2-CD2 3.9Š|
| 159 | P | 90.5 | Very high | 90.5 | Very high | 36 Ų | 36 | 78.3 Ų | 78.3 | 23% | 0.234 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -92.7 | 15.6 | 11.3 | 36.7 | -36.3 | 0 | 0 | 0 | 116.3 | E168 L169 | P159-E168 HydrophobicContact CB-CG 4.2Å; P159-E168 HydrophobicContact CG-CG 3.76Å; P159-E168 VanDerWaalsContact CG-OE1 3.22Å; P159-E168 WeakPolarHBondContact CG-OE1 2.99Å; P159-L169 HydrophobicContact CB-CB 4.49Å; P159-L169 WeakPolarHBondContact O-CB 3.22Å; P159-L169 PolarHBondContact O-N 2.03Å |
| 160 | Y | 93.1 | Very high | 89.8 | Confident | 72 Ų | 72 | 78.9 Ų | 78.9 | 28% | 0.282 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 147.2 | -175.7 | -57.9 | -79.6 | 0 | 0 | 0 | 113.9 | N144 C156 R157 T167 E168 | N144-Y160 HydrophobicContact CB-CD1 3.63Å; N144-Y160 HydrophobicContact CB-CD2 3.61Å; N144-Y160 HydrophobicContact CB-CE1 3.86Å; N144-Y160 HydrophobicContact CB-CE2 3.83Å; N144-Y160 HydrophobicContact CB-CG 3.5Å; N144-Y160 VanDerWaalsContact CB-CG 3.5Å; N144-Y160 VanDerWaalsContact CG-CE1 3.49Å; N144-Y160 WeakPolarHBondContact ND2-CD1 3.34Å; C156-Y160 WeakPolarHBondContact CB-O 3.03Å; R157-Y160 WeakPolarHBondContact O-CB 3.21Å; R157-Y160 WeakPolarHBondContact O-CD2 3.03Å; R157-Y160 PolarHBondContact O-N 3.18Å; Y160-T167 CarbonylContact C-O 3.59Å; Y160-T167 WeakPolarHBondContact CA-O 3.17Å; Y160-E168 HydrophobicContact CD1-CB 4Å; Y160-E168 HydrophobicContact CD1-CG 4.11Å; Y160-E168 HydrophobicContact CE1-CB 3.9Å; Y160-E168 HydrophobicContact CE1-CG 3.89Å |
| 161 | V | 90.8 | Very high | 88.8 | Confident | 47 Ų | 47 | 77.4 Ų | 77.4 | 29% | 0.285 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 174.5 | 179.2 | -62.4 | 0 | 0 | 0 | 0 | 110.3 | C165 E166 T167 L172 | V161-C165 CarbonylContact O-C 3.52Å; V161-C165 WeakPolarHBondContact O-CA 3.24Å; V161-E166 PolarHBondContact O-N 2.61Å; V161-T167 HydrophobicContact CG2-CG2 4.38Å; V161-T167 PolarHBondContact N-O 3.07Å; V161-T167 PolarHBondContact O-N 3.34Å; V161-T167 VanDerWaalsContact O-O 3.06Å; V161-L172 HydrophobicContact CG2-CD1 3.53Å |
| 162 | G | 89.8 | Confident | 87.8 | Confident | 37 Ų | 37 | 79 Ų | 79 | 38% | 0.381 | 39% | 0.393 | S | S | . | . | S | Bend | trans | 110.8 | 172.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112 | H164 E166 | G162-H164 VanDerWaalsContact C-N 3.3Å; G162-E166 VanDerWaalsContact CA-OE1 3.24Å; G162-E166 WeakPolarHBondContact CA-OE1 3.32Å; G162-E166 WeakPolarHBondContact CA-OE2 3.37Å |
| 163 | L | 91.2 | Very high | 86.6 | Confident | 99 Ų | 99 | 71 Ų | 71 | 52% | 0.518 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -70.6 | -32 | -177.6 | 178.1 | 59.8 | 0 | 0 | 0 | 111.9 | I140 C154 E166 | I140-L163 HydrophobicContact CD1-CD1 4.22Å; I140-L163 HydrophobicContact CD1-CG 4.1Å; I140-L163 WeakPolarHBondContact CD1-O 3.34Å; C154-L163 WeakPolarHBondContact CB-O 3.43Å; C154-L163 PolarHBondContact N-O 3.27Å; L163-E166 PolarHBondContact N-OE1 2.98Å; L163-E166 PolarHBondContact N-OE2 2.83Å |
| 164 | H | 94.1 | Very high | 84.8 | Confident | 14 Ų | 14 | 78.6 Ų | 78.6 | 7% | 0.065 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -112 | 10.5 | 179.8 | -55.2 | -85.7 | 0 | 0 | 0 | 111.8 | N131 F132 I140 L141 F143 G162 E166 | N131-H164 WeakPolarHBondContact CB-CE1 3.37Å; N131-H164 VanDerWaalsContact CB-ND1 3.34Å; N131-H164 WeakPolarHBondContact CB-ND1 3.01Å; N131-H164 PolarHBondContact O-CE1 3.38Å; F132-H164 AromaticContact CE2-CE1 3.56Å; F132-H164 AromaticContact CE2-NE2 3.84Å; F132-H164 AromaticContact CZ-CE1 3.88Å; I140-H164 VanDerWaalsContact CG1-CE1 3.48Å; I140-H164 WeakPolarHBondContact CG1-CE1 3.45Å; I140-H164 WeakPolarHBondContact CG1-ND1 3.41Å; L141-H164 WeakPolarHBondContact O-CB 3.47Å; L141-H164 PolarHBondContact O-ND1 3.22Å; F143-H164 HydrophobicContact CD2-CB 3.72Å; F143-H164 WeakPolarHBondContact CD2-O 3.35Å; F143-H164 HydrophobicContact CE2-CB 3.87Å; F143-H164 PolarHBondContact N-O 2.86Å; G162-H164 VanDerWaalsContact C-N 3.3Å; H164-E166 WeakPolarHBondContact CA-OE2 3.41Å; H164-E166 WeakPolarHBondContact CB-OE2 3.21Å; H164-E166 PolarHBondContact N-OE2 3.04Å; H164-E166 PolarHBondContact O-N 3.36Å |
| 165 | C | 94 | Very high | 82.6 | Confident | 0 Ų | 0 | 85.4 Ų | 85.4 | 0% | 0 | 43% | 0.429 | C | S | . | . | S | Bend | trans | 61 | 28.1 | -171.9 | -46.3 | 0 | 0 | 0 | 0 | 114.3 | N144 C154 C156 V161 | N144-C165 PolarHBondContact ND2-O 2.78Å; C154-C165 WeakPolarHBondContact CB-SG 3.5Å; C156-C165 WeakPolarHBondContact CA-SG 3.41Å; C156-C165 HydrophobicContact CB-CB 3.73Å; C156-C165 WeakPolarHBondContact CB-SG 3.21Å; C156-C165 WeakPolarHBondContact SG-CA 3.45Å; C156-C165 WeakPolarHBondContact SG-CB 3.49Å; C156-C165 CovalentContact SG-SG 2.03Å; C156-C165 PolarHBondContact SG-SG 3.05Å; V161-C165 CarbonylContact O-C 3.52Å; V161-C165 WeakPolarHBondContact O-CA 3.24Å |
| 166 | E | 92.9 | Very high | 80.4 | Confident | 87 Ų | 87 | 83.4 Ų | 83.4 | 41% | 0.407 | 42% | 0.423 | S | S | . | . | trans | -71.9 | -25.4 | -174.2 | 67.2 | -77.3 | -179.3 | 0 | 0 | 114.5 | F143 V161 G162 L163 H164 | F143-E166 HydrophobicContact CD2-CB 4.06Å; V161-E166 PolarHBondContact O-N 2.61Å; G162-E166 VanDerWaalsContact CA-OE1 3.24Å; G162-E166 WeakPolarHBondContact CA-OE1 3.32Å; G162-E166 WeakPolarHBondContact CA-OE2 3.37Å; L163-E166 PolarHBondContact N-OE1 2.98Å; L163-E166 PolarHBondContact N-OE2 2.83Å; H164-E166 WeakPolarHBondContact CA-OE2 3.41Å; H164-E166 WeakPolarHBondContact CB-OE2 3.21Å; H164-E166 PolarHBondContact N-OE2 3.04Å; H164-E166 PolarHBondContact O-N 3.36Å | ||
| 167 | T | 90.6 | Very high | 78.4 | Confident | 48 Ų | 48 | 85.5 Ų | 85.5 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.9 | -173 | -58.5 | 0 | 0 | 0 | 0 | 111.2 | Y160 V161 L172 | Y160-T167 CarbonylContact C-O 3.59Å; Y160-T167 WeakPolarHBondContact CA-O 3.17Å; V161-T167 HydrophobicContact CG2-CG2 4.38Å; V161-T167 PolarHBondContact N-O 3.07Å; V161-T167 PolarHBondContact O-N 3.34Å; V161-T167 VanDerWaalsContact O-O 3.06Å; T167-L172 HydrophobicContact CG2-CD1 3.62Å; T167-L172 HydrophobicContact CG2-CG 3.78Å |
| 168 | E | 89.3 | Confident | 76.5 | Confident | 68 Ų | 68 | 80.9 Ų | 80.9 | 32% | 0.318 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 133 | 167.3 | -160 | -168.6 | -169.2 | 0 | 0 | 110.2 | P159 Y160 S170 H171 | P159-E168 HydrophobicContact CB-CG 4.2Å; P159-E168 HydrophobicContact CG-CG 3.76Å; P159-E168 VanDerWaalsContact CG-OE1 3.22Å; P159-E168 WeakPolarHBondContact CG-OE1 2.99Å; Y160-E168 HydrophobicContact CD1-CB 4Å; Y160-E168 HydrophobicContact CD1-CG 4.11Å; Y160-E168 HydrophobicContact CE1-CB 3.9Å; Y160-E168 HydrophobicContact CE1-CG 3.89Å; E168-S170 WeakPolarHBondContact CB-OG 3.45Å; E168-S170 WeakPolarHBondContact CG-OG 3.07Å; E168-S170 PolarHBondContact O-N 2.88Å; E168-S170 VanDerWaalsContact O-N 3.07Å; E168-S170 WeakPolarHBondContact OE2-CB 3.22Å; E168-S170 PolarHBondContact OE2-OG 2.82Å; E168-H171 PolarHBondContact O-N 3.44Å |
| 169 | L | 84.2 | Confident | 74.7 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 30% | 0.304 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.3 | -19.6 | -180 | -172.9 | 66.5 | 0 | 0 | 0 | 113 | F158 P159 H171 L172 V173 | F158-L169 HydrophobicContact CE2-CD2 3.9Å; P159-L169 HydrophobicContact CB-CB 4.49Å; P159-L169 WeakPolarHBondContact O-CB 3.22Å; P159-L169 PolarHBondContact O-N 2.03Å; L169-H171 PolarHBondContact O-N 3.25Å; L169-L172 HydrophobicContact CD1-CB 4.31Å; L169-L172 PolarHBondContact O-N 2.88Å; L169-V173 HydrophobicContact CD1-CG2 3.71Å; L169-V173 HydrophobicContact CG-CG2 3.9Å; L169-V173 PolarHBondContact O-N 2.74Å |
| 170 | S | 75.8 | Confident | 73 | Confident | 57 Ų | 57 | 81.5 Ų | 81.5 | 40% | 0.399 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -53.6 | -37.3 | 170.3 | 58.9 | 0 | 0 | 0 | 0 | 113.2 | E168 V173 | E168-S170 WeakPolarHBondContact CB-OG 3.45Å; E168-S170 WeakPolarHBondContact CG-OG 3.07Å; E168-S170 PolarHBondContact O-N 2.88Å; E168-S170 VanDerWaalsContact O-N 3.07Å; E168-S170 WeakPolarHBondContact OE2-CB 3.22Å; E168-S170 PolarHBondContact OE2-OG 2.82Å; S170-V173 CarbonylContact O-C 3.31Å |
| 171 | H | 64.5 | Low | 71.4 | Confident | 160 Ų | 160 | 82.7 Ų | 82.7 | 74% | 0.741 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -84.7 | -24.5 | -179.8 | -75.6 | -82.6 | 0 | 0 | 0 | 113.4 | E168 L169 | E168-H171 PolarHBondContact O-N 3.44Å; L169-H171 PolarHBondContact O-N 3.25Å |
| 172 | L | 61.1 | Low | 70 | Confident | 116 Ų | 116 | 85.5 Ų | 85.5 | 61% | 0.607 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -86.7 | -28 | 175.9 | -72 | 169.5 | 0 | 0 | 0 | 112.5 | V161 T167 L169 | V161-L172 HydrophobicContact CG2-CD1 3.53Å; T167-L172 HydrophobicContact CG2-CD1 3.62Å; T167-L172 HydrophobicContact CG2-CG 3.78Å; L169-L172 HydrophobicContact CD1-CB 4.31Å; L169-L172 PolarHBondContact O-N 2.88Å |
| 173 | V | 59.4 | Low | 68.9 | Low | 56 Ų | 56 | 89.2 Ų | 89.2 | 34% | 0.339 | 45% | 0.453 | S | S | . | . | trans | -113.9 | 69.2 | 173.9 | -161.4 | 0 | 0 | 0 | 0 | 108.5 | L169 S170 F175 | L169-V173 HydrophobicContact CD1-CG2 3.71Å; L169-V173 HydrophobicContact CG-CG2 3.9Å; L169-V173 PolarHBondContact O-N 2.74Å; S170-V173 CarbonylContact O-C 3.31Å; V173-F175 HydrophobicContact CB-CD2 4.23Å; V173-F175 HydrophobicContact CB-CE2 4.08Å; V173-F175 HydrophobicContact CG1-CD1 3.93Å; V173-F175 HydrophobicContact CG1-CD2 3.56Å; V173-F175 HydrophobicContact CG1-CE1 3.82Å; V173-F175 HydrophobicContact CG1-CE2 3.43Å; V173-F175 VanDerWaalsContact CG1-CE2 3.43Å; V173-F175 HydrophobicContact CG1-CG 3.81Å; V173-F175 HydrophobicContact CG1-CZ 3.58Å; V173-F175 WeakPolarHBondContact O-CD2 3.14Å; V173-F175 PolarHBondContact O-N 2.84Å | ||
| 174 | E | 53.4 | Low | 68.1 | Low | 172 Ų | 172 | 89.8 Ų | 89.8 | 80% | 0.804 | 45% | 0.448 | S | S | * | . | trans | -63 | 77.2 | 156.1 | -174.6 | 166.1 | -140 | 0 | 0 | 108 | P176 | E174-P176 WeakPolarHBondContact O-CD 3.44Š| ||
| 175 | F | 48.5 | Very low | 67.2 | Low | 163 Ų | 163 | 93 Ų | 93 | 72% | 0.715 | 47% | 0.473 | S | S | * | . | trans | -54.8 | 113.3 | 170.1 | -76.9 | -78.4 | 0 | 0 | 0 | 106.6 | V173 S177 | V173-F175 HydrophobicContact CB-CD2 4.23Å; V173-F175 HydrophobicContact CB-CE2 4.08Å; V173-F175 HydrophobicContact CG1-CD1 3.93Å; V173-F175 HydrophobicContact CG1-CD2 3.56Å; V173-F175 HydrophobicContact CG1-CE1 3.82Å; V173-F175 HydrophobicContact CG1-CE2 3.43Å; V173-F175 VanDerWaalsContact CG1-CE2 3.43Å; V173-F175 HydrophobicContact CG1-CG 3.81Å; V173-F175 HydrophobicContact CG1-CZ 3.58Å; V173-F175 WeakPolarHBondContact O-CD2 3.14Å; V173-F175 PolarHBondContact O-N 2.84Å; F175-S177 PolarHBondContact O-N 3.37Å | ||
| 176 | P | 49.1 | Very low | 66.5 | Low | 74 Ų | 74 | 101.4 Ų | 101.4 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | trans | -66.8 | 99.8 | -176.4 | 22 | -28.7 | 0 | 0 | 0 | 108.5 | E174 D178 S179 | E174-P176 WeakPolarHBondContact O-CD 3.44Å; P176-D178 PolarHBondContact O-N 2.84Å; P176-S179 WeakPolarHBondContact O-CA 3.42Å; P176-S179 VanDerWaalsContact O-CB 3.24Å; P176-S179 WeakPolarHBondContact O-CB 3.24Å; P176-S179 PolarHBondContact O-N 3.3Å; P176-S179 PolarHBondContact O-OG 3.03Å | ||
| 177 | S | 51.5 | Low | 66 | Low | 88 Ų | 88 | 101.8 Ų | 101.8 | 62% | 0.615 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -56.4 | -36.7 | 172.7 | 52.5 | 0 | 0 | 0 | 0 | 110.3 | F175 S179 R180 V181 | F175-S177 PolarHBondContact O-N 3.37Å; S177-S179 VanDerWaalsContact C-N 3.28Å; S177-S179 PolarHBondContact O-N 3.42Å; S177-R180 WeakPolarHBondContact O-CB 3.44Å; S177-R180 PolarHBondContact O-N 2.76Å; S177-V181 PolarHBondContact O-N 2.61Å |
| 178 | D | 52.5 | Low | 65.8 | Low | 79 Ų | 79 | 105.3 Ų | 105.3 | 42% | 0.422 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.7 | -30.7 | 168 | -177.8 | 42.4 | 0 | 0 | 0 | 114 | P176 R180 V181 K182 | P176-D178 PolarHBondContact O-N 2.84Å; D178-R180 VanDerWaalsContact C-N 3.3Å; D178-R180 PolarHBondContact O-N 2.85Å; D178-V181 PolarHBondContact O-N 3.33Å; D178-K182 WeakPolarHBondContact O-CB 3.17Å; D178-K182 VanDerWaalsContact O-CG 3.31Å; D178-K182 WeakPolarHBondContact O-CG 3.35Å; D178-K182 PolarHBondContact O-N 2.62Å; D178-K182 VanDerWaalsContact OD1-CE 3.31Å; D178-K182 WeakPolarHBondContact OD1-CE 3.11Å; D178-K182 IonicContact OD1-NZ 2.74Å; D178-K182 WeakPolarHBondContact OD2-CE 3.5Å; D178-K182 IonicContact OD2-NZ 3Å; D178-K182 PolarHBondContact OD2-NZ 2.89Å |
| 179 | S | 51.7 | Low | 65.7 | Low | 53 Ų | 53 | 104 Ų | 104 | 37% | 0.371 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -30.2 | 172.1 | 76.5 | 0 | 0 | 0 | 0 | 112.9 | P176 S177 W183 | P176-S179 WeakPolarHBondContact O-CA 3.42Å; P176-S179 VanDerWaalsContact O-CB 3.24Å; P176-S179 WeakPolarHBondContact O-CB 3.24Å; P176-S179 PolarHBondContact O-N 3.3Å; P176-S179 PolarHBondContact O-OG 3.03Å; S177-S179 VanDerWaalsContact C-N 3.28Å; S177-S179 PolarHBondContact O-N 3.42Å; S179-W183 VanDerWaalsContact O-CD1 3.26Å; S179-W183 PolarHBondContact O-N 2.99Å |
| 180 | R | 54.4 | Low | 66 | Low | 163 Ų | 163 | 104.7 Ų | 104.7 | 62% | 0.615 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.8 | -48 | 173.1 | -72 | -162.1 | -87.5 | -150.4 | -6.5 | 110.4 | S177 D178 K182 W183 Y184 | S177-R180 WeakPolarHBondContact O-CB 3.44Å; S177-R180 PolarHBondContact O-N 2.76Å; D178-R180 VanDerWaalsContact C-N 3.3Å; D178-R180 PolarHBondContact O-N 2.85Å; R180-K182 VanDerWaalsContact C-N 3.3Å; R180-K182 PolarHBondContact O-N 3.28Å; R180-W183 PolarHBondContact O-N 3.5Å; R180-Y184 WeakPolarHBondContact O-CD2 3.31Å; R180-Y184 PolarHBondContact O-N 3.06Å |
| 181 | V | 61 | Low | 66.8 | Low | 98 Ų | 98 | 105.6 Ų | 105.6 | 59% | 0.594 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.1 | -43.5 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 110.9 | S177 D178 S185 | S177-V181 PolarHBondContact O-N 2.61Å; D178-V181 PolarHBondContact O-N 3.33Å; V181-S185 WeakPolarHBondContact O-CB 3.28Å; V181-S185 PolarHBondContact O-N 3.01Å |
| 182 | K | 60.9 | Low | 68.1 | Low | 105 Ų | 105 | 104.3 Ų | 104.3 | 46% | 0.457 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64 | -47.1 | 177.1 | -74.7 | 168.3 | 176.2 | 170.8 | 0 | 112.8 | D178 R180 Y184 S185 Y186 | D178-K182 WeakPolarHBondContact O-CB 3.17Å; D178-K182 VanDerWaalsContact O-CG 3.31Å; D178-K182 WeakPolarHBondContact O-CG 3.35Å; D178-K182 PolarHBondContact O-N 2.62Å; D178-K182 VanDerWaalsContact OD1-CE 3.31Å; D178-K182 WeakPolarHBondContact OD1-CE 3.11Å; D178-K182 IonicContact OD1-NZ 2.74Å; D178-K182 WeakPolarHBondContact OD2-CE 3.5Å; D178-K182 IonicContact OD2-NZ 3Å; D178-K182 PolarHBondContact OD2-NZ 2.89Å; R180-K182 VanDerWaalsContact C-N 3.3Å; R180-K182 PolarHBondContact O-N 3.28Å; K182-Y184 PolarHBondContact O-N 3.35Å; K182-S185 WeakPolarHBondContact O-CB 3.44Å; K182-S185 PolarHBondContact O-N 3.39Å; K182-Y186 HydrophobicContact CB-CE2 4.37Å; K182-Y186 WeakPolarHBondContact O-CD2 3.31Å; K182-Y186 PolarHBondContact O-N 3.41Å |
| 183 | W | 66.7 | Low | 69.7 | Low | 116 Ų | 116 | 101.3 Ų | 101.3 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 178.9 | 81 | -119.2 | 0 | 0 | 0 | 112.4 | S179 R180 S185 Y186 L187 | S179-W183 VanDerWaalsContact O-CD1 3.26Å; S179-W183 PolarHBondContact O-N 2.99Å; R180-W183 PolarHBondContact O-N 3.5Å; W183-S185 VanDerWaalsContact C-N 3.32Å; W183-S185 PolarHBondContact O-N 3.5Å; W183-Y186 PolarHBondContact O-N 2.94Å; W183-L187 HydrophobicContact CE3-CD1 3.6Å; W183-L187 HydrophobicContact CZ3-CD1 3.79Å; W183-L187 WeakPolarHBondContact O-CB 3.35Å; W183-L187 PolarHBondContact O-N 3.05Å |
| 184 | Y | 73.6 | Confident | 71.4 | Confident | 110 Ų | 110 | 103.6 Ų | 103.6 | 43% | 0.431 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -58.7 | -45.2 | 172.2 | -80.7 | -63 | 0 | 0 | 0 | 110.9 | R180 K182 Y186 L187 F188 | R180-Y184 WeakPolarHBondContact O-CD2 3.31Å; R180-Y184 PolarHBondContact O-N 3.06Å; K182-Y184 PolarHBondContact O-N 3.35Å; Y184-Y186 PolarHBondContact O-N 2.6Å; Y184-L187 PolarHBondContact O-N 2.87Å; Y184-F188 HydrophobicContact CD1-CD2 4.48Å; Y184-F188 AromaticContact CD1-CE2 3.75Å; Y184-F188 HydrophobicContact CD1-CE2 3.75Å; Y184-F188 HydrophobicContact CD1-CZ 4.4Å; Y184-F188 HydrophobicContact CG-CE2 4.31Å; Y184-F188 WeakPolarHBondContact O-CB 3.07Å; Y184-F188 WeakPolarHBondContact O-CD2 3.4Å; Y184-F188 PolarHBondContact O-N 3.21Å |
| 185 | S | 76.1 | Confident | 73.4 | Confident | 82 Ų | 82 | 101.6 Ų | 101.6 | 57% | 0.573 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.4 | -43.5 | 178.7 | -166.5 | 0 | 0 | 0 | 0 | 112.7 | V181 K182 W183 G189 | V181-S185 WeakPolarHBondContact O-CB 3.28Å; V181-S185 PolarHBondContact O-N 3.01Å; K182-S185 WeakPolarHBondContact O-CB 3.44Å; K182-S185 PolarHBondContact O-N 3.39Å; W183-S185 VanDerWaalsContact C-N 3.32Å; W183-S185 PolarHBondContact O-N 3.5Å; S185-G189 PolarHBondContact O-N 2.75Å |
| 186 | Y | 79.8 | Confident | 75.6 | Confident | 176 Ų | 176 | 99 Ų | 99 | 69% | 0.69 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.9 | -41.7 | 175.4 | -70.4 | -61 | 0 | 0 | 0 | 113.1 | K182 W183 Y184 T190 | K182-Y186 HydrophobicContact CB-CE2 4.37Å; K182-Y186 WeakPolarHBondContact O-CD2 3.31Å; K182-Y186 PolarHBondContact O-N 3.41Å; W183-Y186 PolarHBondContact O-N 2.94Å; Y184-Y186 PolarHBondContact O-N 2.6Å; Y186-T190 WeakPolarHBondContact O-CB 3.11Å; Y186-T190 WeakPolarHBondContact O-CG2 3.44Å; Y186-T190 PolarHBondContact O-N 2.9Å; Y186-T190 PolarHBondContact O-OG1 3.36Å |
| 187 | L | 81.8 | Confident | 77.8 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.1 | -43.3 | 179 | -100.4 | 158 | 0 | 0 | 0 | 112.1 | W183 Y184 T190 C191 | W183-L187 HydrophobicContact CE3-CD1 3.6Å; W183-L187 HydrophobicContact CZ3-CD1 3.79Å; W183-L187 WeakPolarHBondContact O-CB 3.35Å; W183-L187 PolarHBondContact O-N 3.05Å; Y184-L187 PolarHBondContact O-N 2.87Å; L187-T190 PolarHBondContact O-OG1 3.31Å; L187-T190 VanDerWaalsContact O-OG1 3.13Å; L187-C191 WeakPolarHBondContact O-CB 3.47Å; L187-C191 PolarHBondContact O-N 2.95Å; L187-C191 PolarHBondContact O-SG 3.45Å |
| 188 | F | 87 | Confident | 79.9 | Confident | 122 Ų | 122 | 102 Ų | 102 | 54% | 0.535 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -45.4 | 173.3 | -72.2 | -58.8 | 0 | 0 | 0 | 111.4 | Y184 T190 C191 F192 | Y184-F188 HydrophobicContact CD1-CD2 4.48Å; Y184-F188 AromaticContact CD1-CE2 3.75Å; Y184-F188 HydrophobicContact CD1-CE2 3.75Å; Y184-F188 HydrophobicContact CD1-CZ 4.4Å; Y184-F188 HydrophobicContact CG-CE2 4.31Å; Y184-F188 WeakPolarHBondContact O-CB 3.07Å; Y184-F188 WeakPolarHBondContact O-CD2 3.4Å; Y184-F188 PolarHBondContact O-N 3.21Å; F188-T190 VanDerWaalsContact C-N 3.33Å; F188-T190 PolarHBondContact O-N 3.36Å; F188-C191 PolarHBondContact O-N 3.45Å; F188-F192 HydrophobicContact CB-CD2 4.39Å; F188-F192 WeakPolarHBondContact O-CB 3.38Å; F188-F192 VanDerWaalsContact O-CD2 3.25Å; F188-F192 WeakPolarHBondContact O-CD2 3.46Å; F188-F192 PolarHBondContact O-N 2.84Å |
| 189 | G | 87.5 | Confident | 82 | Confident | 41 Ų | 41 | 101.7 Ų | 101.7 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -39.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | S185 S193 | S185-G189 PolarHBondContact O-N 2.75Å; G189-S193 WeakPolarHBondContact O-CB 3.43Å; G189-S193 PolarHBondContact O-N 3.31Å; G189-S193 PolarHBondContact O-OG 2.96Å |
| 190 | T | 90 | Very high | 84 | Confident | 72 Ų | 72 | 103.9 Ų | 103.9 | 44% | 0.442 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.2 | -40.7 | 174.8 | 49.1 | 0 | 0 | 0 | 0 | 112.6 | Y186 L187 F188 F192 S193 I194 | Y186-T190 WeakPolarHBondContact O-CB 3.11Å; Y186-T190 WeakPolarHBondContact O-CG2 3.44Å; Y186-T190 PolarHBondContact O-N 2.9Å; Y186-T190 PolarHBondContact O-OG1 3.36Å; L187-T190 PolarHBondContact O-OG1 3.31Å; L187-T190 VanDerWaalsContact O-OG1 3.13Å; F188-T190 VanDerWaalsContact C-N 3.33Å; F188-T190 PolarHBondContact O-N 3.36Å; T190-F192 PolarHBondContact O-N 3.37Å; T190-S193 PolarHBondContact O-N 3.13Å; T190-S193 PolarHBondContact O-OG 2.84Å; T190-S193 VanDerWaalsContact O-OG 3.11Å; T190-I194 WeakPolarHBondContact O-CB 3.44Å; T190-I194 WeakPolarHBondContact O-CD1 3.45Å; T190-I194 VanDerWaalsContact O-CG1 3.24Å; T190-I194 WeakPolarHBondContact O-CG1 3.25Å; T190-I194 PolarHBondContact O-N 3.27Å |
| 191 | C | 91.4 | Very high | 86 | Confident | 77 Ų | 77 | 98.6 Ų | 98.6 | 52% | 0.52 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 173.2 | -73 | 0 | 0 | 0 | 0 | 112.5 | L187 F188 F195 | L187-C191 WeakPolarHBondContact O-CB 3.47Å; L187-C191 PolarHBondContact O-N 2.95Å; L187-C191 PolarHBondContact O-SG 3.45Å; F188-C191 PolarHBondContact O-N 3.45Å; C191-F195 WeakPolarHBondContact O-CB 3.24Å; C191-F195 PolarHBondContact O-N 3.03Å |
| 192 | F | 92.8 | Very high | 87.6 | Confident | 132 Ų | 132 | 99.2 Ų | 99.2 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.1 | -41.7 | 176.4 | -86.5 | -68.5 | 0 | 0 | 0 | 112.6 | F188 T190 F195 L196 | F188-F192 HydrophobicContact CB-CD2 4.39Å; F188-F192 WeakPolarHBondContact O-CB 3.38Å; F188-F192 VanDerWaalsContact O-CD2 3.25Å; F188-F192 WeakPolarHBondContact O-CD2 3.46Å; F188-F192 PolarHBondContact O-N 2.84Å; T190-F192 PolarHBondContact O-N 3.37Å; F192-F195 PolarHBondContact O-N 3.49Å; F192-L196 WeakPolarHBondContact O-CG 3.35Å; F192-L196 PolarHBondContact O-N 3.3Å |
| 193 | S | 94.5 | Very high | 89.2 | Confident | 54 Ų | 54 | 96.6 Ų | 96.6 | 38% | 0.378 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 178.3 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | G189 T190 F195 L196 I197 | G189-S193 WeakPolarHBondContact O-CB 3.43Å; G189-S193 PolarHBondContact O-N 3.31Å; G189-S193 PolarHBondContact O-OG 2.96Å; T190-S193 PolarHBondContact O-N 3.13Å; T190-S193 PolarHBondContact O-OG 2.84Å; T190-S193 VanDerWaalsContact O-OG 3.11Å; S193-F195 PolarHBondContact O-N 3.02Å; S193-L196 PolarHBondContact O-N 2.94Å; S193-I197 WeakPolarHBondContact O-CB 3.33Å; S193-I197 WeakPolarHBondContact O-CD1 3.49Å; S193-I197 VanDerWaalsContact O-CG1 3.23Å; S193-I197 WeakPolarHBondContact O-CG1 3.34Å; S193-I197 PolarHBondContact O-N 3.49Å |
| 194 | I | 94.3 | Very high | 90.4 | Very high | 103 Ų | 103 | 93.2 Ų | 93.2 | 53% | 0.528 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 173.1 | -68 | 166.5 | 0 | 0 | 0 | 110.8 | T190 I197 M198 | T190-I194 WeakPolarHBondContact O-CB 3.44Å; T190-I194 WeakPolarHBondContact O-CD1 3.45Å; T190-I194 VanDerWaalsContact O-CG1 3.24Å; T190-I194 WeakPolarHBondContact O-CG1 3.25Å; T190-I194 PolarHBondContact O-N 3.27Å; I194-I197 PolarHBondContact O-N 3Å; I194-M198 HydrophobicContact CG2-CG 4.49Å; I194-M198 WeakPolarHBondContact O-CG 3.46Å; I194-M198 PolarHBondContact O-N 3.43Å |
| 195 | F | 95.8 | Very high | 91.4 | Very high | 130 Ų | 130 | 94 Ų | 94 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.6 | -46 | 176.9 | -179.9 | -98.7 | 0 | 0 | 0 | 112.2 | C191 F192 S193 M198 V199 | C191-F195 WeakPolarHBondContact O-CB 3.24Å; C191-F195 PolarHBondContact O-N 3.03Å; F192-F195 PolarHBondContact O-N 3.49Å; S193-F195 PolarHBondContact O-N 3.02Å; F195-M198 PolarHBondContact O-N 3.11Å; F195-V199 HydrophobicContact CD1-CG2 4.24Å; F195-V199 HydrophobicContact CE1-CG2 3.82Å; F195-V199 HydrophobicContact CE2-CG2 4.33Å; F195-V199 HydrophobicContact CZ-CG2 3.87Å; F195-V199 WeakPolarHBondContact O-CG2 3.48Å; F195-V199 PolarHBondContact O-N 2.92Å |
| 196 | L | 95.3 | Very high | 92.2 | Very high | 108 Ų | 108 | 93.1 Ų | 93.1 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 176.8 | -70.3 | 173.6 | 0 | 0 | 0 | 112.1 | F192 S193 M198 V199 V200 | F192-L196 WeakPolarHBondContact O-CG 3.35Å; F192-L196 PolarHBondContact O-N 3.3Å; S193-L196 PolarHBondContact O-N 2.94Å; L196-M198 VanDerWaalsContact C-N 3.33Å; L196-M198 PolarHBondContact O-N 3.35Å; L196-V199 PolarHBondContact O-N 3.34Å; L196-V200 WeakPolarHBondContact O-CB 3.35Å; L196-V200 WeakPolarHBondContact O-CG2 3.42Å; L196-V200 PolarHBondContact O-N 3.34Å |
| 197 | I | 95.5 | Very high | 92.7 | Very high | 112 Ų | 112 | 89.9 Ų | 89.9 | 57% | 0.574 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.6 | -43.9 | 174.1 | -70.4 | 163.4 | 0 | 0 | 0 | 110.6 | S193 I194 V200 A201 | S193-I197 WeakPolarHBondContact O-CB 3.33Å; S193-I197 WeakPolarHBondContact O-CD1 3.49Å; S193-I197 VanDerWaalsContact O-CG1 3.23Å; S193-I197 WeakPolarHBondContact O-CG1 3.34Å; S193-I197 PolarHBondContact O-N 3.49Å; I194-I197 PolarHBondContact O-N 3Å; I197-V200 PolarHBondContact O-N 2.93Å; I197-A201 VanDerWaalsContact O-CB 3.24Å; I197-A201 WeakPolarHBondContact O-CB 3.33Å; I197-A201 PolarHBondContact O-N 3.29Å |
| 198 | M | 95 | Very high | 93 | Very high | 114 Ų | 114 | 90.4 Ų | 90.4 | 56% | 0.562 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.1 | -40.4 | 177.1 | -72.2 | -63.7 | -69 | 0 | 0 | 112.6 | I194 F195 L196 A201 M202 | I194-M198 HydrophobicContact CG2-CG 4.49Å; I194-M198 WeakPolarHBondContact O-CG 3.46Å; I194-M198 PolarHBondContact O-N 3.43Å; F195-M198 PolarHBondContact O-N 3.11Å; L196-M198 VanDerWaalsContact C-N 3.33Å; L196-M198 PolarHBondContact O-N 3.35Å; M198-A201 PolarHBondContact O-N 3.24Å; M198-M202 WeakPolarHBondContact O-CB 3.45Å; M198-M202 VanDerWaalsContact O-CG 3.27Å; M198-M202 WeakPolarHBondContact O-CG 3.23Å; M198-M202 PolarHBondContact O-N 2.97Å |
| 199 | V | 96 | Very high | 93.1 | Very high | 73 Ų | 73 | 91.7 Ų | 91.7 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.2 | 170.6 | 0 | 0 | 0 | 0 | 111.3 | F195 L196 M202 A203 | F195-V199 HydrophobicContact CD1-CG2 4.24Å; F195-V199 HydrophobicContact CE1-CG2 3.82Å; F195-V199 HydrophobicContact CE2-CG2 4.33Å; F195-V199 HydrophobicContact CZ-CG2 3.87Å; F195-V199 WeakPolarHBondContact O-CG2 3.48Å; F195-V199 PolarHBondContact O-N 2.92Å; L196-V199 PolarHBondContact O-N 3.34Å; V199-M202 PolarHBondContact O-N 2.91Å; V199-A203 WeakPolarHBondContact O-CB 3.35Å; V199-A203 PolarHBondContact O-N 3.45Å |
| 200 | V | 95.4 | Very high | 92.9 | Very high | 98 Ų | 98 | 97.1 Ų | 97.1 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.3 | -42.2 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L196 I197 A203 A204 | L196-V200 WeakPolarHBondContact O-CB 3.35Å; L196-V200 WeakPolarHBondContact O-CG2 3.42Å; L196-V200 PolarHBondContact O-N 3.34Å; I197-V200 PolarHBondContact O-N 2.93Å; V200-A203 PolarHBondContact O-N 3.3Å; V200-A204 WeakPolarHBondContact O-CB 3.39Å; V200-A204 PolarHBondContact O-N 2.92Å |
| 201 | A | 95.3 | Very high | 92.5 | Very high | 53 Ų | 53 | 102.5 Ų | 102.5 | 44% | 0.438 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | I197 M198 A204 Y205 | I197-A201 VanDerWaalsContact O-CB 3.24Å; I197-A201 WeakPolarHBondContact O-CB 3.33Å; I197-A201 PolarHBondContact O-N 3.29Å; M198-A201 PolarHBondContact O-N 3.24Å; A201-A204 PolarHBondContact O-N 2.89Å; A201-Y205 VanDerWaalsContact O-CB 3.27Å; A201-Y205 WeakPolarHBondContact O-CB 3.24Å; A201-Y205 PolarHBondContact O-N 3.47Å |
| 202 | M | 95.4 | Very high | 91.7 | Very high | 110 Ų | 110 | 106.3 Ų | 106.3 | 54% | 0.542 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 174.3 | -76.6 | -66.2 | -70.4 | 0 | 0 | 112.2 | M198 V199 Y205 C206 | M198-M202 WeakPolarHBondContact O-CB 3.45Å; M198-M202 VanDerWaalsContact O-CG 3.27Å; M198-M202 WeakPolarHBondContact O-CG 3.23Å; M198-M202 PolarHBondContact O-N 2.97Å; V199-M202 PolarHBondContact O-N 2.91Å; M202-Y205 PolarHBondContact O-N 2.83Å; M202-C206 WeakPolarHBondContact O-CB 3.27Å; M202-C206 PolarHBondContact O-N 3.38Å; M202-C206 PolarHBondContact O-SG 3.33Å; M202-C206 VanDerWaalsContact O-SG 3.38Å |
| 203 | A | 94.3 | Very high | 90.7 | Very high | 51 Ų | 51 | 105.4 Ų | 105.4 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.8 | -47.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | V199 V200 Y205 C206 L207 | V199-A203 WeakPolarHBondContact O-CB 3.35Å; V199-A203 PolarHBondContact O-N 3.45Å; V200-A203 PolarHBondContact O-N 3.3Å; A203-Y205 PolarHBondContact O-N 2.86Å; A203-C206 PolarHBondContact O-N 3.41Å; A203-L207 WeakPolarHBondContact O-CG 3.26Å; A203-L207 PolarHBondContact O-N 2.94Å |
| 204 | A | 92.5 | Very high | 89.3 | Confident | 44 Ų | 44 | 105.4 Ų | 105.4 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V200 A201 C206 L207 L208 | V200-A204 WeakPolarHBondContact O-CB 3.39Å; V200-A204 PolarHBondContact O-N 2.92Å; A201-A204 PolarHBondContact O-N 2.89Å; A204-C206 PolarHBondContact O-N 2.9Å; A204-L207 PolarHBondContact O-N 2.96Å; A204-L208 WeakPolarHBondContact O-CB 3.29Å; A204-L208 VanDerWaalsContact O-CG 3.27Å; A204-L208 WeakPolarHBondContact O-CG 3.44Å; A204-L208 PolarHBondContact O-N 3Å |
| 205 | Y | 94.5 | Very high | 87.6 | Confident | 126 Ų | 126 | 109.7 Ų | 109.7 | 49% | 0.494 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 174.4 | 174.9 | -93.1 | 0 | 0 | 0 | 111.8 | A201 M202 A203 L207 L208 R209 | A201-Y205 VanDerWaalsContact O-CB 3.27Å; A201-Y205 WeakPolarHBondContact O-CB 3.24Å; A201-Y205 PolarHBondContact O-N 3.47Å; M202-Y205 PolarHBondContact O-N 2.83Å; A203-Y205 PolarHBondContact O-N 2.86Å; Y205-L207 PolarHBondContact O-N 3.06Å; Y205-L208 PolarHBondContact O-N 3.29Å; Y205-R209 VanDerWaalsContact O-CB 3.25Å; Y205-R209 WeakPolarHBondContact O-CB 3.36Å; Y205-R209 PolarHBondContact O-N 2.98Å |
| 206 | C | 92.1 | Very high | 85.7 | Confident | 65 Ų | 65 | 107.7 Ų | 107.7 | 44% | 0.439 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 175.7 | -76.8 | 0 | 0 | 0 | 0 | 112.6 | M202 A203 A204 K210 | M202-C206 WeakPolarHBondContact O-CB 3.27Å; M202-C206 PolarHBondContact O-N 3.38Å; M202-C206 PolarHBondContact O-SG 3.33Å; M202-C206 VanDerWaalsContact O-SG 3.38Å; A203-C206 PolarHBondContact O-N 3.41Å; A204-C206 PolarHBondContact O-N 2.9Å; C206-K210 WeakPolarHBondContact O-CG 3.38Å; C206-K210 PolarHBondContact O-N 3.45Å |
| 207 | L | 90.7 | Very high | 83.8 | Confident | 107 Ų | 107 | 112.5 Ų | 112.5 | 56% | 0.56 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.9 | -44.1 | 175.4 | -69.9 | 171.5 | 0 | 0 | 0 | 112 | A203 A204 Y205 K210 R211 | A203-L207 WeakPolarHBondContact O-CG 3.26Å; A203-L207 PolarHBondContact O-N 2.94Å; A204-L207 PolarHBondContact O-N 2.96Å; Y205-L207 PolarHBondContact O-N 3.06Å; L207-K210 PolarHBondContact O-N 2.97Å; L207-R211 WeakPolarHBondContact O-CG 3.45Å; L207-R211 PolarHBondContact O-N 3.18Å |
| 208 | L | 88.3 | Confident | 81.7 | Confident | 106 Ų | 106 | 113.3 Ų | 113.3 | 56% | 0.555 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.5 | -39.3 | 175.6 | -71.6 | 171.3 | 0 | 0 | 0 | 111.9 | A204 Y205 R211 K212 | A204-L208 WeakPolarHBondContact O-CB 3.29Å; A204-L208 VanDerWaalsContact O-CG 3.27Å; A204-L208 WeakPolarHBondContact O-CG 3.44Å; A204-L208 PolarHBondContact O-N 3Å; Y205-L208 PolarHBondContact O-N 3.29Å; L208-R211 PolarHBondContact O-N 3.16Å; L208-K212 PolarHBondContact O-N 2.8Å |
| 209 | R | 88.7 | Confident | 79.8 | Confident | 150 Ų | 150 | 112.1 Ų | 112.1 | 57% | 0.566 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.3 | -43.5 | 174.9 | -171.1 | 170.9 | 177.8 | 178.6 | -3.2 | 111.2 | Y205 K212 L213 | Y205-R209 VanDerWaalsContact O-CB 3.25Å; Y205-R209 WeakPolarHBondContact O-CB 3.36Å; Y205-R209 PolarHBondContact O-N 2.98Å; R209-K212 PolarHBondContact O-N 2.87Å; R209-L213 HydrophobicContact CG-CD1 4.04Å; R209-L213 WeakPolarHBondContact O-CD1 3.39Å; R209-L213 PolarHBondContact O-N 3.28Å |
| 210 | K | 83.6 | Confident | 77.5 | Confident | 155 Ų | 155 | 113.9 Ų | 113.9 | 67% | 0.674 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -58.7 | -45.9 | 171.4 | -77.7 | -177.1 | 178.1 | -176.5 | 0 | 111.8 | C206 L207 K212 L213 S214 | C206-K210 WeakPolarHBondContact O-CG 3.38Å; C206-K210 PolarHBondContact O-N 3.45Å; L207-K210 PolarHBondContact O-N 2.97Å; K210-K212 VanDerWaalsContact C-N 3.35Å; K210-K212 PolarHBondContact O-N 3.13Å; K210-L213 PolarHBondContact O-N 3.07Å; K210-S214 PolarHBondContact O-N 3.49Å; K210-S214 PolarHBondContact O-OG 3.38Å |
| 211 | R | 81.7 | Confident | 75.5 | Confident | 184 Ų | 184 | 114.8 Ų | 114.8 | 69% | 0.694 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.5 | -33.9 | 176.5 | -75.3 | -179.9 | 175.2 | -177.7 | -1.3 | 113.3 | L207 L208 S214 R215 | L207-R211 WeakPolarHBondContact O-CG 3.45Å; L207-R211 PolarHBondContact O-N 3.18Å; L208-R211 PolarHBondContact O-N 3.16Å; R211-S214 PolarHBondContact O-OG 3.38Å; R211-R215 PolarHBondContact O-N 2.83Å |
| 212 | K | 74.4 | Confident | 73.1 | Confident | 158 Ų | 158 | 114.4 Ų | 114.4 | 69% | 0.687 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.9 | -49.3 | 171.7 | -77 | -172.6 | 176.6 | -173.7 | 0 | 111.2 | L208 R209 K210 S214 R215 T216 | L208-K212 PolarHBondContact O-N 2.8Å; R209-K212 PolarHBondContact O-N 2.87Å; K210-K212 VanDerWaalsContact C-N 3.35Å; K210-K212 PolarHBondContact O-N 3.13Å; K212-S214 PolarHBondContact O-N 3.26Å; K212-R215 PolarHBondContact O-N 2.84Å; K212-T216 PolarHBondContact O-N 3.04Å; K212-T216 PolarHBondContact O-OG1 2.93Å; K212-T216 VanDerWaalsContact O-OG1 3.12Å |
| 213 | L | 71.5 | Confident | 70.8 | Confident | 112 Ų | 112 | 113.6 Ų | 113.6 | 59% | 0.586 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62 | -37.9 | 178.7 | -88.4 | 82.2 | 0 | 0 | 0 | 113.1 | R209 K210 T216 R217 | R209-L213 HydrophobicContact CG-CD1 4.04Å; R209-L213 WeakPolarHBondContact O-CD1 3.39Å; R209-L213 PolarHBondContact O-N 3.28Å; K210-L213 PolarHBondContact O-N 3.07Å; L213-T216 PolarHBondContact O-N 3.49Å; L213-R217 PolarHBondContact O-N 3.48Å |
| 214 | S | 64.1 | Low | 68.4 | Low | 55 Ų | 55 | 118.2 Ų | 118.2 | 39% | 0.385 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.4 | -39.3 | 176.5 | 63.9 | 0 | 0 | 0 | 0 | 112.4 | K210 R211 K212 R217 M218 | K210-S214 PolarHBondContact O-N 3.49Å; K210-S214 PolarHBondContact O-OG 3.38Å; R211-S214 PolarHBondContact O-OG 3.38Å; K212-S214 PolarHBondContact O-N 3.26Å; S214-R217 PolarHBondContact O-N 2.89Å; S214-M218 PolarHBondContact O-N 3.49Å |
| 215 | R | 59.7 | Low | 66.1 | Low | 192 Ų | 192 | 120 Ų | 120 | 73% | 0.725 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -60.4 | -45.8 | 171.2 | -99.3 | -175 | 166 | -179.5 | -4.6 | 112.1 | R211 K212 R217 M218 V219 | R211-R215 PolarHBondContact O-N 2.83Å; K212-R215 PolarHBondContact O-N 2.84Å; R215-R217 VanDerWaalsContact C-N 3.31Å; R215-R217 PolarHBondContact O-N 3.12Å; R215-M218 PolarHBondContact O-N 2.98Å; R215-M218 VanDerWaalsContact O-N 3.17Å; R215-V219 WeakPolarHBondContact O-CG2 3.37Å; R215-V219 PolarHBondContact O-N 3.39Å |
| 216 | T | 56.4 | Low | 63.6 | Low | 88 Ų | 88 | 119.3 Ų | 119.3 | 54% | 0.54 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -61.5 | -38 | 177.3 | -50.5 | 0 | 0 | 0 | 0 | 112.2 | K212 L213 N220 | K212-T216 PolarHBondContact O-N 3.04Å; K212-T216 PolarHBondContact O-OG1 2.93Å; K212-T216 VanDerWaalsContact O-OG1 3.12Å; L213-T216 PolarHBondContact O-N 3.49Å; T216-N220 PolarHBondContact O-N 2.96Å |
| 217 | R | 53.8 | Low | 61.1 | Low | 210 Ų | 210 | 120.9 Ų | 120.9 | 79% | 0.792 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.9 | -40.2 | 173.3 | -96.5 | -173.6 | 175 | 173.9 | -0.7 | 113.2 | L213 S214 R215 V221 | L213-R217 PolarHBondContact O-N 3.48Å; S214-R217 PolarHBondContact O-N 2.89Å; R215-R217 VanDerWaalsContact C-N 3.31Å; R215-R217 PolarHBondContact O-N 3.12Å; R217-V221 WeakPolarHBondContact O-CG2 3.44Å; R217-V221 PolarHBondContact O-N 3.1Å |
| 218 | M | 52.6 | Low | 58.9 | Low | 128 Ų | 128 | 123.3 Ų | 123.3 | 63% | 0.631 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.6 | -35.2 | -179.8 | -69.7 | -174.4 | -71.1 | 0 | 0 | 112.6 | S214 R215 V221 G222 | S214-M218 PolarHBondContact O-N 3.49Å; R215-M218 PolarHBondContact O-N 2.98Å; R215-M218 VanDerWaalsContact O-N 3.17Å; M218-V221 PolarHBondContact O-N 3.34Å; M218-G222 PolarHBondContact O-N 2.97Å |
| 219 | V | 54 | Low | 56.6 | Low | 89 Ų | 89 | 124.1 Ų | 124.1 | 54% | 0.539 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -62.2 | -45.9 | 173.9 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | R215 V221 G222 T223 | R215-V219 WeakPolarHBondContact O-CG2 3.37Å; R215-V219 PolarHBondContact O-N 3.39Å; V219-V221 PolarHBondContact O-N 2.91Å; V219-G222 PolarHBondContact O-N 3.36Å; V219-G222 VanDerWaalsContact O-N 3.16Å; V219-T223 PolarHBondContact O-N 2.81Å |
| 220 | N | 48.9 | Very low | 54.5 | Low | 110 Ų | 110 | 125.1 Ų | 125.1 | 59% | 0.588 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.5 | -4.1 | -179.9 | -74.6 | 19.6 | 0 | 0 | 0 | 114.8 | T216 | T216-N220 PolarHBondContact O-N 2.96Å |
| 221 | V | 52.3 | Low | 52.4 | Low | 117 Ų | 117 | 125.7 Ų | 125.7 | 71% | 0.709 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -94.5 | -31.3 | 169.4 | 171.8 | 0 | 0 | 0 | 0 | 111 | R217 M218 V219 | R217-V221 WeakPolarHBondContact O-CG2 3.44Å; R217-V221 PolarHBondContact O-N 3.1Å; M218-V221 PolarHBondContact O-N 3.34Å; V219-V221 PolarHBondContact O-N 2.91Å |
| 222 | G | 45 | Very low | 50.4 | Low | 45 Ų | 45 | 120.1 Ų | 120.1 | 46% | 0.464 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -71.9 | -27.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | M218 V219 N224 | M218-G222 PolarHBondContact O-N 2.97Å; V219-G222 PolarHBondContact O-N 3.36Å; V219-G222 VanDerWaalsContact O-N 3.16Å; G222-N224 VanDerWaalsContact C-N 3.35Å; G222-N224 PolarHBondContact O-N 2.88Å |
| 223 | T | 48.7 | Very low | 48.7 | Very low | 93 Ų | 93 | 118.6 Ų | 118.6 | 57% | 0.571 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -13.6 | -173.2 | 47.5 | 0 | 0 | 0 | 0 | 115.6 | V219 | V219-T223 PolarHBondContact O-N 2.81Š|
| 224 | N | 43.9 | Very low | 47.4 | Very low | 148 Ų | 148 | 124.1 Ų | 124.1 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 10.5 | -178 | -72.7 | 5.3 | 0 | 0 | 0 | 113.8 | G222 | G222-N224 VanDerWaalsContact C-N 3.35Å; G222-N224 PolarHBondContact O-N 2.88Å |
| 225 | A | 43.6 | Very low | 46.1 | Very low | 81 Ų | 81 | 129 Ų | 129 | 67% | 0.669 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -106.1 | -11.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S227 | A225-S227 PolarHBondContact O-N 2.85Š|
| 226 | S | 42 | Very low | 45.6 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -101.2 | 72.4 | -171.5 | -61.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 227 | S | 40.2 | Very low | 44.9 | Very low | 98 Ų | 98 | 128.5 Ų | 128.5 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | -139.4 | 68.7 | 172.4 | 67.6 | 0 | 0 | 0 | 0 | 112.9 | A225 | A225-S227 PolarHBondContact O-N 2.85Š| ||
| 228 | N | 44.1 | Very low | 44.3 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 177.6 | 156.1 | 149.5 | -90.7 | -29.2 | 0 | 0 | 0 | 110.3 | ||
| 229 | C | 40 | Very low | 44.1 | Very low | 123 Ų | 123 | 126.9 Ų | 126.9 | 83% | 0.831 | 74% | 0.743 | S | S | * | * | trans | 59.6 | 98.1 | 175.7 | -57.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 230 | H | 43 | Very low | 44.1 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | cis | 77.5 | 125.4 | 38 | -153.6 | -70.1 | 0 | 0 | 0 | 114.2 | ||||
| 231 | L | 40.5 | Very low | 44.6 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 87% | 0.869 | 74% | 0.739 | S | S | * | * | trans | 63.3 | 142.5 | -166.9 | -53.5 | 112 | 0 | 0 | 0 | 114 | ||||
| 232 | G | 39 | Very low | 45.1 | Very low | 68 Ų | 68 | 124.4 Ų | 124.4 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | cis | -171.1 | 153.3 | -7.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 233 | P | 39.3 | Very low | 46.2 | Very low | 125 Ų | 125 | 128 Ų | 128 | 81% | 0.812 | 74% | 0.735 | S | S | * | * | trans | -85.6 | 136.9 | -163.4 | 32.7 | -35.1 | 0 | 0 | 0 | 114.4 | ||||
| 234 | Y | 43.4 | Very low | 47 | Very low | 228 Ų | 228 | 132.2 Ų | 132.2 | 89% | 0.894 | 74% | 0.74 | S | S | * | * | trans | -153 | 146.2 | 160.8 | -112.5 | -83.3 | 0 | 0 | 0 | 110.5 | ||||
| 235 | D | 38.2 | Very low | 48 | Very low | 158 Ų | 158 | 129.3 Ų | 129.3 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | trans | -69.6 | 138.8 | 177.7 | -63.1 | -77.2 | 0 | 0 | 0 | 112.8 | ||||
| 236 | S | 47.8 | Very low | 49.2 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | -164.6 | 146.2 | 152.3 | 46.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 237 | D | 43.2 | Very low | 50.4 | Low | 156 Ų | 156 | 131.9 Ų | 131.9 | 83% | 0.834 | 72% | 0.722 | S | S | * | * | trans | -47.2 | 134.4 | -169.3 | -60.3 | -74.3 | 0 | 0 | 0 | 117.1 | S239 | D237-S239 PolarHBondContact O-N 3.45Š| ||
| 238 | F | 40.2 | Very low | 51.8 | Low | 214 Ų | 214 | 132.2 Ų | 132.2 | 94% | 0.939 | 72% | 0.723 | S | S | * | * | trans | -78.2 | 58.2 | 176.3 | -148.4 | -88.4 | 0 | 0 | 0 | 112.1 | G240 | F238-G240 PolarHBondContact O-N 3.15Š| ||
| 239 | S | 49.7 | Very low | 52.7 | Low | 91 Ų | 91 | 127.3 Ų | 127.3 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | trans | -70.4 | 93 | 177.9 | -169.6 | 0 | 0 | 0 | 0 | 110.9 | D237 H241 | D237-S239 PolarHBondContact O-N 3.45Å; S239-H241 PolarHBondContact O-N 2.98Å | ||
| 240 | G | 52.7 | Low | 54.2 | Low | 58 Ų | 58 | 129.9 Ų | 129.9 | 60% | 0.598 | 70% | 0.702 | S | S | * | * | trans | -73.1 | 88.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | F238 I242 | F238-G240 PolarHBondContact O-N 3.15Å; G240-I242 PolarHBondContact O-N 3.4Å; G240-I242 VanDerWaalsContact O-N 3.12Å | ||
| 241 | H | 60.5 | Low | 55.3 | Low | 96 Ų | 96 | 126.6 Ų | 126.6 | 44% | 0.444 | 69% | 0.693 | S | S | . | * | trans | -56.1 | 114.6 | 171.5 | -78.3 | -94.4 | 0 | 0 | 0 | 111.2 | S239 F243 D253 | S239-H241 PolarHBondContact O-N 2.98Å; H241-F243 HydrophobicContact CB-CD2 4.46Å; H241-F243 HydrophobicContact CB-CE2 3.7Å; H241-F243 HydrophobicContact CB-CZ 3.79Å; H241-D253 IonicContact CE1-OD1 2.97Å; H241-D253 IonicContact CE1-OD2 3.51Å; H241-D253 IonicContact CG-OD1 3.57Å; H241-D253 IonicContact ND1-OD1 3.88Å; H241-D253 PolarHBondContact ND1-OD1 3.44Å; H241-D253 IonicContact ND1-OD2 3.1Å; H241-D253 PolarHBondContact ND1-OD2 3.17Å; H241-D253 VanDerWaalsContact ND1-OD2 3.1Å | ||
| 242 | I | 62.7 | Low | 56.6 | Low | 109 Ų | 109 | 121.5 Ų | 121.5 | 56% | 0.559 | 67% | 0.669 | S | S | * | * | trans | -90 | 112.8 | 174.5 | -58.9 | -179.6 | 0 | 0 | 0 | 107.9 | G240 L254 | G240-I242 PolarHBondContact O-N 3.4Å; G240-I242 VanDerWaalsContact O-N 3.12Å; I242-L254 HydrophobicContact CG2-CD2 4.27Å; I242-L254 WeakPolarHBondContact O-CB 3.25Å; I242-L254 WeakPolarHBondContact O-CD1 3.17Å; I242-L254 PolarHBondContact O-N 3.41Å | ||
| 243 | F | 67.4 | Low | 58.3 | Low | 122 Ų | 122 | 119.3 Ų | 119.3 | 54% | 0.535 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93.7 | 136.7 | 172 | -58.8 | -81.8 | 0 | 0 | 0 | 110.4 | H241 V251 V252 D253 | H241-F243 HydrophobicContact CB-CD2 4.46Å; H241-F243 HydrophobicContact CB-CE2 3.7Å; H241-F243 HydrophobicContact CB-CZ 3.79Å; F243-V251 HydrophobicContact CB-CG1 3.9Å; F243-V251 HydrophobicContact CD1-CG1 3.79Å; F243-V251 HydrophobicContact CG-CG1 4.12Å; F243-V252 WeakPolarHBondContact CA-O 3.42Å; F243-D253 HydrophobicContact CD1-CB 4.06Å; F243-D253 HydrophobicContact CE1-CB 3.84Å |
| 244 | W | 65.7 | Low | 59.5 | Low | 180 Ų | 180 | 117 Ų | 117 | 68% | 0.682 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.6 | 154.9 | 165.5 | -115.1 | 60.6 | 0 | 0 | 0 | 110.5 | V251 V252 L254 | W244-V251 CarbonylContact O-C 3.6Å; W244-V251 WeakPolarHBondContact O-CA 3.34Å; W244-V252 PolarHBondContact N-O 2.99Å; W244-V252 PolarHBondContact O-N 3.18Å; W244-L254 HydrophobicContact CB-CD1 3.85Å; W244-L254 HydrophobicContact CG-CD1 4.36Å |
| 245 | T | 64.2 | Low | 60.7 | Low | 88 Ų | 88 | 109.6 Ų | 109.6 | 54% | 0.54 | 61% | 0.608 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.9 | 165.1 | 50.6 | 0 | 0 | 0 | 0 | 108.5 | R250 V251 | T245-R250 WeakPolarHBondContact CA-O 3.38Å; T245-V251 HydrophobicContact CG2-CG2 4.13Å |
| 246 | D | 70.7 | Confident | 62.2 | Low | 65 Ų | 65 | 112.1 Ų | 112.1 | 35% | 0.348 | 61% | 0.606 | S | S | . | * | trans | -71.2 | 171.2 | 166 | 66.3 | 10.8 | 0 | 0 | 0 | 111.3 | C248 G249 R250 | D246-C248 PolarHBondContact O-N 3.45Å; D246-C248 VanDerWaalsContact OD1-CA 3.26Å; D246-C248 WeakPolarHBondContact OD1-CA 3.41Å; D246-C248 VanDerWaalsContact OD1-CB 3.29Å; D246-C248 WeakPolarHBondContact OD1-CB 3.27Å; D246-C248 PolarHBondContact OD1-N 3.28Å; D246-G249 PolarHBondContact O-N 3.28Å; D246-G249 PolarHBondContact OD1-N 3.06Å; D246-R250 PolarHBondContact N-O 3.27Å; D246-R250 WeakPolarHBondContact OD1-CB 3.27Å; D246-R250 PolarHBondContact OD1-N 3.33Å | ||
| 247 | D | 66.4 | Low | 63.2 | Low | 182 Ų | 182 | 111.7 Ų | 111.7 | 97% | 0.973 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -7.2 | 174.5 | -66.6 | -56.4 | 0 | 0 | 0 | 113.1 | ||
| 248 | C | 69.3 | Low | 64.7 | Low | 105 Ų | 105 | 109.4 Ų | 109.4 | 71% | 0.709 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | 3.7 | 172.1 | -62.5 | 0 | 0 | 0 | 0 | 113.1 | D246 R250 | D246-C248 PolarHBondContact O-N 3.45Å; D246-C248 VanDerWaalsContact OD1-CA 3.26Å; D246-C248 WeakPolarHBondContact OD1-CA 3.41Å; D246-C248 VanDerWaalsContact OD1-CB 3.29Å; D246-C248 WeakPolarHBondContact OD1-CB 3.27Å; D246-C248 PolarHBondContact OD1-N 3.28Å; C248-R250 VanDerWaalsContact C-N 3.33Å; C248-R250 HydrophobicContact CB-CG 4.42Å; C248-R250 PolarHBondContact O-N 3.04Å |
| 249 | G | 63.8 | Low | 66.4 | Low | 55 Ų | 55 | 104.6 Ų | 104.6 | 57% | 0.567 | 58% | 0.578 | S | S | * | * | trans | 75.3 | 12.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D246 | D246-G249 PolarHBondContact O-N 3.28Å; D246-G249 PolarHBondContact OD1-N 3.06Å | ||
| 250 | R | 70.4 | Confident | 67.4 | Low | 177 Ų | 177 | 105.8 Ų | 105.8 | 67% | 0.668 | 58% | 0.584 | S | S | * | * | trans | -82.1 | 124.5 | 179.7 | -59.2 | 179.8 | 174 | -168.3 | -0.8 | 110.4 | T245 D246 C248 | T245-R250 WeakPolarHBondContact CA-O 3.38Å; D246-R250 PolarHBondContact N-O 3.27Å; D246-R250 WeakPolarHBondContact OD1-CB 3.27Å; D246-R250 PolarHBondContact OD1-N 3.33Å; C248-R250 VanDerWaalsContact C-N 3.33Å; C248-R250 HydrophobicContact CB-CG 4.42Å; C248-R250 PolarHBondContact O-N 3.04Å | ||
| 251 | V | 66.9 | Low | 68.2 | Low | 102 Ų | 102 | 108.1 Ų | 108.1 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -79.8 | 118.6 | 175.7 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | F243 W244 T245 | F243-V251 HydrophobicContact CB-CG1 3.9Å; F243-V251 HydrophobicContact CD1-CG1 3.79Å; F243-V251 HydrophobicContact CG-CG1 4.12Å; W244-V251 CarbonylContact O-C 3.6Å; W244-V251 WeakPolarHBondContact O-CA 3.34Å; T245-V251 HydrophobicContact CG2-CG2 4.13Å |
| 252 | V | 68.2 | Low | 68.3 | Low | 59 Ų | 59 | 106.3 Ų | 106.3 | 36% | 0.358 | 59% | 0.586 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.6 | 177.2 | -176.5 | 0 | 0 | 0 | 0 | 109.7 | F243 W244 L257 | F243-V252 WeakPolarHBondContact CA-O 3.42Å; W244-V252 PolarHBondContact N-O 2.99Å; W244-V252 PolarHBondContact O-N 3.18Å; V252-L257 HydrophobicContact CG1-CD2 4.22Å |
| 253 | D | 73.1 | Confident | 68 | Low | 22 Ų | 22 | 110.5 Ų | 110.5 | 12% | 0.118 | 60% | 0.596 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.5 | 113 | 171.5 | 179.1 | 10.6 | 0 | 0 | 0 | 109.5 | H241 F243 A255 R256 | H241-D253 IonicContact CE1-OD1 2.97Å; H241-D253 IonicContact CE1-OD2 3.51Å; H241-D253 IonicContact CG-OD1 3.57Å; H241-D253 IonicContact ND1-OD1 3.88Å; H241-D253 PolarHBondContact ND1-OD1 3.44Å; H241-D253 IonicContact ND1-OD2 3.1Å; H241-D253 PolarHBondContact ND1-OD2 3.17Å; H241-D253 VanDerWaalsContact ND1-OD2 3.1Å; F243-D253 HydrophobicContact CD1-CB 4.06Å; F243-D253 HydrophobicContact CE1-CB 3.84Å; D253-A255 PolarHBondContact O-N 3.12Å; D253-A255 WeakPolarHBondContact OD1-CB 3.44Å; D253-A255 PolarHBondContact OD1-N 3.22Å; D253-A255 VanDerWaalsContact OD1-N 3.13Å; D253-R256 HydrophobicContact CB-CG 4.34Å; D253-R256 PolarHBondContact O-N 3.04Å; D253-R256 VanDerWaalsContact O-N 3.07Å; D253-R256 IonicContact OD2-NE 3.49Å |
| 254 | L | 64.8 | Low | 67.5 | Low | 76 Ų | 76 | 112.3 Ų | 112.3 | 40% | 0.398 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -61 | -26.1 | -179.8 | -92.1 | 68.2 | 0 | 0 | 0 | 112.3 | I242 W244 R256 L257 | I242-L254 HydrophobicContact CG2-CD2 4.27Å; I242-L254 WeakPolarHBondContact O-CB 3.25Å; I242-L254 WeakPolarHBondContact O-CD1 3.17Å; I242-L254 PolarHBondContact O-N 3.41Å; W244-L254 HydrophobicContact CB-CD1 3.85Å; W244-L254 HydrophobicContact CG-CD1 4.36Å; L254-R256 PolarHBondContact O-N 3.38Å; L254-R256 VanDerWaalsContact O-N 3.16Å; L254-L257 HydrophobicContact CG-CD1 4.24Å; L254-L257 PolarHBondContact O-N 2.98Å |
| 255 | A | 68.9 | Low | 67.2 | Low | 74 Ų | 74 | 108.3 Ų | 108.3 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -69.8 | -6.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D253 | D253-A255 PolarHBondContact O-N 3.12Å; D253-A255 WeakPolarHBondContact OD1-CB 3.44Å; D253-A255 PolarHBondContact OD1-N 3.22Å; D253-A255 VanDerWaalsContact OD1-N 3.13Å |
| 256 | R | 70.8 | Confident | 66.7 | Low | 211 Ų | 211 | 107.2 Ų | 107.2 | 80% | 0.796 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -108.8 | 1.4 | 177.5 | -66.2 | -176.9 | 179.5 | -142.7 | -4.6 | 114.2 | D253 L254 | D253-R256 HydrophobicContact CB-CG 4.34Å; D253-R256 PolarHBondContact O-N 3.04Å; D253-R256 VanDerWaalsContact O-N 3.07Å; D253-R256 IonicContact OD2-NE 3.49Å; L254-R256 PolarHBondContact O-N 3.38Å; L254-R256 VanDerWaalsContact O-N 3.16Å |
| 257 | L | 67.1 | Low | 65.6 | Low | 104 Ų | 104 | 110 Ų | 110 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -75.1 | 137.5 | 172.5 | -66.6 | 173.7 | 0 | 0 | 0 | 109.7 | V252 L254 | V252-L257 HydrophobicContact CG1-CD2 4.22Å; L254-L257 HydrophobicContact CG-CD1 4.24Å; L254-L257 PolarHBondContact O-N 2.98Å |
| 258 | P | 76 | Confident | 65 | Low | 107 Ų | 107 | 107 Ų | 107 | 70% | 0.695 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 149.9 | 172 | 28.4 | -34.4 | 0 | 0 | 0 | 110 | ||
| 259 | P | 75 | Confident | 64.3 | Low | 113 Ų | 113 | 108.1 Ų | 108.1 | 73% | 0.734 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 146.3 | 174 | 26.8 | -34.6 | 0 | 0 | 0 | 110.2 | ||
| 260 | P | 70.7 | Confident | 63.5 | Low | 117 Ų | 117 | 113.3 Ų | 113.3 | 76% | 0.76 | 62% | 0.618 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 144.9 | 177.3 | 26.2 | -34.2 | 0 | 0 | 0 | 110.5 | ||
| 261 | P | 69.6 | Low | 62.1 | Low | 106 Ų | 106 | 109 Ų | 109 | 69% | 0.688 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -61 | 158.6 | 177.5 | 27.7 | -35.4 | 0 | 0 | 0 | 111.1 | D265 | P261-D265 HydrophobicContact CB-CB 4.19Š|
| 262 | S | 63 | Low | 60.9 | Low | 58 Ų | 58 | 115.3 Ų | 115.3 | 41% | 0.406 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -69.5 | 158.4 | -176.2 | 82.6 | 0 | 0 | 0 | 0 | 111.1 | Q264 D265 | S262-Q264 PolarHBondContact O-N 3.25Å; S262-Q264 PolarHBondContact OG-N 3.2Å; S262-D265 WeakPolarHBondContact CA-OD2 3.39Å; S262-D265 VanDerWaalsContact CB-OD2 3.28Å; S262-D265 WeakPolarHBondContact CB-OD2 3.43Å; S262-D265 PolarHBondContact N-OD2 3.38Å; S262-D265 PolarHBondContact O-N 3.31Å; S262-D265 PolarHBondContact OG-OD2 3.38Å |
| 263 | Y | 55.2 | Low | 59.5 | Low | 197 Ų | 197 | 118.2 Ų | 118.2 | 77% | 0.773 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | -21.2 | 176.6 | -172.6 | -97.7 | 0 | 0 | 0 | 113.1 | L267 | Y263-L267 HydrophobicContact CE1-CD1 4.35Š|
| 264 | Q | 58.1 | Low | 58.3 | Low | 161 Ų | 161 | 126.6 Ų | 126.6 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -31.5 | 178.3 | -62.9 | -179.9 | -6.9 | 0 | 0 | 112.2 | S262 A266 | S262-Q264 PolarHBondContact O-N 3.25Å; S262-Q264 PolarHBondContact OG-N 3.2Å; Q264-A266 VanDerWaalsContact C-N 3.35Å; Q264-A266 PolarHBondContact O-N 3.16Å |
| 265 | D | 59 | Low | 57.2 | Low | 96 Ų | 96 | 131 Ų | 131 | 51% | 0.513 | 72% | 0.715 | S | S | . | * | G | 310 helix | trans | -71.3 | -30.7 | 179.9 | -56.1 | -64.6 | 0 | 0 | 0 | 112.2 | P261 S262 L267 | P261-D265 HydrophobicContact CB-CB 4.19Å; S262-D265 WeakPolarHBondContact CA-OD2 3.39Å; S262-D265 VanDerWaalsContact CB-OD2 3.28Å; S262-D265 WeakPolarHBondContact CB-OD2 3.43Å; S262-D265 PolarHBondContact N-OD2 3.38Å; S262-D265 PolarHBondContact O-N 3.31Å; S262-D265 PolarHBondContact OG-OD2 3.38Å; D265-L267 PolarHBondContact O-N 3.43Å |
| 266 | A | 53 | Low | 56 | Low | 65 Ų | 65 | 130.7 Ų | 130.7 | 54% | 0.537 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -68.7 | -18.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q264 | Q264-A266 VanDerWaalsContact C-N 3.35Å; Q264-A266 PolarHBondContact O-N 3.16Å |
| 267 | L | 49.3 | Very low | 54.6 | Low | 124 Ų | 124 | 126.7 Ų | 126.7 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -85.5 | -13.7 | -169.2 | -124.5 | 145.2 | 0 | 0 | 0 | 114 | Y263 D265 | Y263-L267 HydrophobicContact CE1-CD1 4.35Å; D265-L267 PolarHBondContact O-N 3.43Å |
| 268 | V | 53.3 | Low | 53.3 | Low | 119 Ų | 119 | 133.2 Ų | 133.2 | 72% | 0.721 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -84.3 | -19.3 | -173.2 | -178.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 269 | V | 53.1 | Low | 51.8 | Low | 127 Ų | 127 | 132.5 Ų | 132.5 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -17.4 | -166.1 | -177.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 270 | L | 47.9 | Very low | 50.3 | Low | 165 Ų | 165 | 132.8 Ų | 132.8 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 12.6 | -171.9 | -71 | 171 | 0 | 0 | 0 | 115.3 | ||
| 271 | A | 41.5 | Very low | 48.9 | Very low | 85 Ų | 85 | 133 Ų | 133 | 70% | 0.702 | 74% | 0.735 | S | S | * | * | trans | -104 | 71.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 272 | R | 41.7 | Very low | 47.8 | Very low | 235 Ų | 235 | 133.1 Ų | 133.1 | 89% | 0.887 | 73% | 0.733 | S | S | * | * | trans | -158.4 | 127.3 | 156 | -124.9 | 177.5 | -176.8 | 111.3 | 0.3 | 113 | ||||
| 273 | P | 39.3 | Very low | 46.9 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | -84.6 | 165.7 | 176.4 | 35.2 | -35.6 | 0 | 0 | 0 | 112.5 | ||||
| 274 | Q | 46.4 | Very low | 46.3 | Very low | 198 Ų | 198 | 136.7 Ų | 136.7 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | trans | -125.8 | 134.3 | 159.3 | -80 | -165 | -32.7 | 0 | 0 | 110.4 | ||||
| 275 | D | 43.3 | Very low | 45.5 | Very low | 170 Ų | 170 | 131.9 Ų | 131.9 | 91% | 0.909 | 75% | 0.749 | S | S | * | * | trans | -73 | 154.9 | 169.8 | -69.9 | -74.6 | 0 | 0 | 0 | 112.2 | ||||
| 276 | G | 42.4 | Very low | 44.7 | Very low | 66 Ų | 66 | 135.6 Ų | 135.6 | 68% | 0.68 | 76% | 0.763 | S | S | * | * | trans | -169.3 | 107.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 277 | S | 42.3 | Very low | 44.1 | Very low | 128 Ų | 128 | 138.2 Ų | 138.2 | 90% | 0.895 | 78% | 0.775 | S | S | * | * | trans | 58 | 104.3 | 158.9 | 47.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 278 | R | 39.5 | Very low | 44.4 | Very low | 240 Ų | 240 | 138.5 Ų | 138.5 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -98.8 | -172.1 | 149.9 | -136.4 | -168.4 | 160.3 | -167.7 | -4.5 | 107.1 | ||||
| 279 | P | 43.9 | Very low | 44.1 | Very low | 92 Ų | 92 | 138.3 Ų | 138.3 | 60% | 0.597 | 78% | 0.783 | S | S | * | * | cis | -143.4 | -162.9 | -4.4 | 42.8 | -21.2 | 0 | 0 | 0 | 116.9 | ||||
| 280 | T | 44.6 | Very low | 43.5 | Very low | 120 Ų | 120 | 139.6 Ų | 139.6 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 69.8 | 146.3 | 158.9 | 41.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 281 | T | 41.1 | Very low | 43.7 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | -132.4 | 148.3 | 5.7 | 19.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 282 | V | 46.5 | Very low | 44 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 66% | 0.655 | 79% | 0.789 | S | S | * | * | 61.6 | 127.6 | 70.1 | -178.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 283 | E | 44.7 | Very low | 44.4 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | cis | -151.8 | 179.7 | 18.2 | -125.1 | 142.8 | -142.4 | 0 | 0 | 108.4 | ||||
| 284 | D | 42.5 | Very low | 44.9 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | cis | -162.2 | 167.3 | -4.1 | -173.2 | 30.4 | 0 | 0 | 0 | 111.3 | ||||
| 285 | G | 40 | Very low | 44.9 | Very low | 59 Ų | 59 | 131.3 Ų | 131.3 | 61% | 0.608 | 78% | 0.777 | S | S | * | * | trans | 67.7 | 153.5 | 151.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 286 | Q | 43.1 | Very low | 44.9 | Very low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -163 | 138.1 | -5.8 | 172.3 | 111 | -71.6 | 0 | 0 | 109.5 | ||||
| 287 | P | 40.5 | Very low | 45 | Very low | 119 Ų | 119 | 131 Ų | 131 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -109.4 | 153.3 | 170.8 | 38 | -30.3 | 0 | 0 | 0 | 114.5 | ||||
| 288 | T | 54.5 | Low | 45.4 | Very low | 131 Ų | 131 | 129.2 Ų | 129.2 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -141.9 | 142.6 | 172.6 | 49.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 289 | P | 46.5 | Very low | 45.9 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | trans | -109.6 | 169.1 | -167.7 | 41.6 | -36.9 | 0 | 0 | 0 | 117 | ||||
| 290 | N | 41.9 | Very low | 46 | Very low | 153 Ų | 153 | 124.9 Ų | 124.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 49.6 | 113.1 | 151 | -67.3 | 4.4 | 0 | 0 | 0 | 121.8 | ||||
| 291 | V | 51.7 | Low | 46.1 | Very low | 149 Ų | 149 | 123.8 Ų | 123.8 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | trans | -140.8 | 131.7 | 141.1 | -179.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 292 | T | 46.8 | Very low | 46.2 | Very low | 119 Ų | 119 | 128.7 Ų | 128.7 | 73% | 0.73 | 78% | 0.78 | S | S | * | * | trans | -95.3 | 151.7 | 172 | -8.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 293 | P | 51.2 | Low | 46.2 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | -133.6 | 162.7 | 78.7 | 21.4 | 0.3 | 0 | 0 | 0 | 113.1 | |||||
| 294 | D | 49.3 | Very low | 46.1 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | cis | 93.6 | 132.5 | 29.1 | -151.5 | 1.1 | 0 | 0 | 0 | 114.4 | ||||
| 295 | A | 47.3 | Very low | 46.4 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | 40.7 | 118 | -175.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 296 | G | 42.9 | Very low | 46.7 | Very low | 80 Ų | 80 | 130.7 Ų | 130.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | 110.5 | 156.5 | 74.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 297 | D | 45.3 | Very low | 46.9 | Very low | 151 Ų | 151 | 125.8 Ų | 125.8 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | cis | -158.8 | 158.5 | -2.3 | -166.3 | -3.7 | 0 | 0 | 0 | 110.5 | ||||
| 298 | S | 50.4 | Low | 47.2 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | trans | 44.7 | 98 | 152.7 | -70 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 299 | S | 48.4 | Very low | 46.9 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | 60 | 160.9 | 114 | -66.7 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 300 | P | 47.9 | Very low | 47 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -127.2 | -175.5 | -163.2 | 43.5 | -27.8 | 0 | 0 | 0 | 117 | ||||
| 301 | A | 44.7 | Very low | 47.5 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | trans | 85.3 | 116.9 | 150 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 302 | R | 45 | Very low | 47.3 | Very low | 224 Ų | 224 | 134.4 Ų | 134.4 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -169.9 | 122.9 | 130.4 | -102 | -177.8 | 155.9 | 156.8 | -4.8 | 108.5 | ||||
| 303 | Q | 45.3 | Very low | 47.6 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | 65 | 123.9 | 78 | -69.6 | -174.6 | -32.1 | 0 | 0 | 115.7 | |||||
| 304 | G | 43.1 | Very low | 47.4 | Very low | 63 Ų | 63 | 135.2 Ų | 135.2 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | 144.5 | 111.4 | 145.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 305 | H | 48.1 | Very low | 47.8 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 80% | 0.801 | 79% | 0.787 | S | S | * | * | trans | 62.2 | 121 | 145.2 | -64.2 | -70.8 | 0 | 0 | 0 | 119.5 | ||||
| 306 | T | 46.1 | Very low | 48.2 | Very low | 124 Ų | 124 | 134 Ų | 134 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | 63.2 | 134.3 | 65.5 | 71 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 307 | A | 47.7 | Very low | 48.5 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 60% | 0.603 | 78% | 0.781 | S | S | * | * | cis | -154.4 | -174.9 | 14.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 308 | E | 47.7 | Very low | 49 | Very low | 190 Ų | 190 | 134 Ų | 134 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | 56.3 | 122.5 | 148 | -71.9 | 161.2 | 81 | 0 | 0 | 122.2 | ||||
| 309 | S | 47.8 | Very low | 49.3 | Very low | 126 Ų | 126 | 142.9 Ų | 142.9 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | -157.3 | 129 | 116.6 | -156.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 310 | E | 49.1 | Very low | 49.3 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -99 | 131.8 | 170.2 | -83.4 | -177.9 | 54 | 0 | 0 | 111.8 | ||||
| 311 | K | 50.8 | Low | 49.4 | Very low | 198 Ų | 198 | 145.2 Ų | 145.2 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | trans | 169.4 | 132.3 | 136.3 | -94.8 | 160.9 | 179.4 | 177 | 0 | 109.2 | ||||
| 312 | N | 48 | Very low | 49.7 | Very low | 153 Ų | 153 | 147.9 Ų | 147.9 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | cis | 76.8 | 85 | 29.7 | -162.2 | 16 | 0 | 0 | 0 | 114.9 | ||||
| 313 | A | 53.1 | Low | 49.9 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 84% | 0.843 | 81% | 0.809 | S | S | * | * | trans | -165.4 | 112.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 314 | D | 48 | Very low | 50.2 | Low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -108.1 | -177.6 | 157 | -158.8 | 28.8 | 0 | 0 | 0 | 105.5 | ||||
| 315 | P | 56.2 | Low | 50.7 | Low | 93 Ų | 93 | 146.4 Ų | 146.4 | 60% | 0.604 | 82% | 0.818 | S | S | * | * | cis | -132.2 | -163.9 | -12.5 | 17.7 | 9.7 | 0 | 0 | 0 | 114.7 | ||||
| 316 | T | 57.1 | Low | 50.9 | Low | 124 Ų | 124 | 144.5 Ų | 144.5 | 76% | 0.761 | 82% | 0.82 | S | S | * | * | trans | 90.6 | 103.6 | 141 | 24.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 317 | A | 48.3 | Very low | 51.2 | Low | 89 Ų | 89 | 146.1 Ų | 146.1 | 74% | 0.736 | 82% | 0.824 | S | S | * | * | 45.1 | 131.1 | 120.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 318 | V | 56 | Low | 51.5 | Low | 142 Ų | 142 | 152.2 Ų | 152.2 | 86% | 0.861 | 84% | 0.842 | S | S | * | * | -179.7 | 111.9 | 105.8 | 152.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 319 | K | 56.5 | Low | 51.9 | Low | 277 Ų | 277 | 148.7 Ų | 148.7 | 100% | 1.204 | 84% | 0.838 | S | S | * | * | trans | -167.8 | 0 | 130.4 | -132.3 | 176.1 | -177.7 | 176 | 0 | 111.5 |
Retrieved 319 of 319 residues in 478.7 ms
(Link to these results)