| 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 | 44.5 | Very low | 68.4 | Low | 245 Ų | 245 | 100.1 Ų | 100.1 | 100% | 1.207 | 49% | 0.486 | S | S | * | . | 0 | 68.2 | 0 | -171.7 | 153.8 | 147.5 | 0 | 0 | 110.4 | |||||
| 2 | Q | 48.5 | Very low | 70.4 | Confident | 174 Ų | 174 | 95.8 Ų | 95.8 | 81% | 0.813 | 46% | 0.463 | S | S | * | . | trans | -135.6 | -11.8 | 178.5 | -69.9 | -155.8 | -13.5 | 0 | 0 | 114.7 | ||||
| 3 | I | 55.2 | Low | 72.2 | Confident | 157 Ų | 157 | 88.5 Ų | 88.5 | 81% | 0.805 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -78.7 | -32.9 | -174.8 | -57 | 170.3 | 0 | 0 | 0 | 111.8 | ||
| 4 | Q | 52.2 | Low | 73.6 | Confident | 138 Ų | 138 | 83.4 Ų | 83.4 | 65% | 0.645 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.2 | -33.8 | -174.6 | -155.5 | 67.4 | 46.9 | 0 | 0 | 113.6 | E6 A7 | Q4-E6 PolarHBondContact O-N 2.78Å; Q4-A7 PolarHBondContact O-N 2.98Å |
| 5 | K | 58.6 | Low | 74.9 | Confident | 155 Ų | 155 | 81.9 Ų | 81.9 | 67% | 0.674 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -76.9 | -21.5 | -173.4 | -155.7 | 176.7 | -171.8 | 177.6 | 0 | 113.6 | ||
| 6 | E | 67.9 | Low | 76 | Confident | 73 Ų | 73 | 76.9 Ų | 76.9 | 34% | 0.341 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -77.7 | -32.5 | 178.3 | -158.9 | 104.3 | 158.8 | 0 | 0 | 110.5 | Q4 D8 K9 T10 K36 Y55 | Q4-E6 PolarHBondContact O-N 2.78Å; E6-D8 PolarHBondContact O-N 3.13Å; E6-K9 CarbonylContact O-C 3.53Å; E6-K9 PolarHBondContact O-N 3.03Å; E6-K9 VanDerWaalsContact O-N 3.08Å; E6-T10 PolarHBondContact O-N 3.06Å; E6-T10 PolarHBondContact O-OG1 2.75Å; E6-K36 IonicContact OE1-NZ 2.72Å; E6-K36 PolarHBondContact OE1-NZ 2.85Å; E6-K36 IonicContact OE2-NZ 2.89Å; E6-K36 PolarHBondContact OE2-NZ 2.65Å; E6-Y55 HydrophobicContact CG-CD1 3.78Å; E6-Y55 HydrophobicContact CG-CE1 3.94Å |
| 7 | A | 71.2 | Confident | 76.7 | Confident | 20 Ų | 20 | 72.7 Ų | 72.7 | 17% | 0.165 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -38.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q4 K9 T10 | Q4-A7 PolarHBondContact O-N 2.98Å; A7-K9 PolarHBondContact O-N 2.87Å; A7-T10 PolarHBondContact O-N 3.32Å |
| 8 | D | 82.6 | Confident | 77.3 | Confident | 72 Ų | 72 | 73.8 Ų | 73.8 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -14 | 176 | -57.5 | -30.7 | 0 | 0 | 0 | 113.3 | E6 | E6-D8 PolarHBondContact O-N 3.13Š|
| 9 | K | 89.1 | Confident | 77.9 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 8.4 | 179.5 | -57.9 | -178.3 | 179.1 | -164 | 0 | 112.6 | E6 A7 Y56 K57 A59 | E6-K9 CarbonylContact O-C 3.53Å; E6-K9 PolarHBondContact O-N 3.03Å; E6-K9 VanDerWaalsContact O-N 3.08Å; A7-K9 PolarHBondContact O-N 2.87Å; K9-Y56 PolarHBondContact O-N 3.01Å; K9-K57 PolarHBondContact NZ-O 3.11Å; K9-A59 HydrophobicContact CG-CB 3.97Å |
| 10 | T | 90.2 | Very high | 78.4 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.5 | -175.6 | -57 | 0 | 0 | 0 | 0 | 109.9 | E6 A7 F53 V54 Y55 G84 | E6-T10 PolarHBondContact O-N 3.06Å; E6-T10 PolarHBondContact O-OG1 2.75Å; A7-T10 PolarHBondContact O-N 3.32Å; T10-F53 HydrophobicContact CG2-CB 4.21Å; T10-F53 HydrophobicContact CG2-CD1 4.02Å; T10-V54 CarbonylContact C-O 3.48Å; T10-V54 VanDerWaalsContact CA-O 3.31Å; T10-V54 WeakPolarHBondContact CA-O 3.48Å; T10-Y55 HydrophobicContact CG2-CD1 4.15Å; T10-Y55 HydrophobicContact CG2-CE1 3.92Å; T10-Y55 VanDerWaalsContact OG1-CD1 3.22Å; T10-Y55 WeakPolarHBondContact OG1-CD1 3.36Å; T10-Y55 VanDerWaalsContact OG1-CE1 3.3Å; T10-Y55 WeakPolarHBondContact OG1-CE1 3.22Å; T10-G84 WeakPolarHBondContact O-CA 3.3Å; T10-G84 PolarHBondContact O-N 3.11Å |
| 11 | V | 92.3 | Very high | 79 | Confident | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.8 | 166.9 | 177.3 | 0 | 0 | 0 | 0 | 108.6 | V13 F29 F53 V54 Y56 V62 A65 I66 L81 | V11-V13 HydrophobicContact CG1-CG2 4.33Å; V11-F29 HydrophobicContact CB-CE1 4.48Å; V11-F29 HydrophobicContact CG1-CE1 4.02Å; V11-F53 WeakPolarHBondContact O-CA 3.5Å; V11-V54 HydrophobicContact CB-CB 4.35Å; V11-V54 PolarHBondContact N-O 2.99Å; V11-V54 PolarHBondContact O-N 3.15Å; V11-Y56 HydrophobicContact CB-CE2 4.47Å; V11-Y56 HydrophobicContact CG2-CD2 4.06Å; V11-Y56 HydrophobicContact CG2-CE2 3.71Å; V11-V62 HydrophobicContact CG2-CB 4.22Å; V11-V62 HydrophobicContact CG2-CG1 3.79Å; V11-V62 HydrophobicContact CG2-CG2 4.2Å; V11-A65 HydrophobicContact CG2-CB 4.4Å; V11-I66 HydrophobicContact CG1-CG1 4.35Å; V11-I66 HydrophobicContact CG2-CG1 4.49Å; V11-L81 HydrophobicContact CG1-CB 4.19Å; V11-L81 HydrophobicContact CG1-CD2 4.33Å |
| 12 | F | 92.8 | Very high | 81.3 | Confident | 49 Ų | 49 | 61.9 Ų | 61.9 | 22% | 0.215 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 126.2 | 168.5 | 175.6 | -106 | 0 | 0 | 0 | 109.5 | A14 Y51 F53 L81 Q82 | F12-A14 HydrophobicContact CD1-CB 4.29Å; F12-A14 HydrophobicContact CE1-CB 3.55Å; F12-A14 HydrophobicContact CZ-CB 4.07Å; F12-Y51 AromaticContact CE2-CD2 3.78Å; F12-Y51 HydrophobicContact CE2-CD2 3.78Å; F12-Y51 HydrophobicContact CE2-CG 4.03Å; F12-Y51 HydrophobicContact CZ-CD2 4.47Å; F12-Y51 HydrophobicContact CZ-CG 4.29Å; F12-F53 HydrophobicContact CD2-CD1 4.11Å; F12-F53 AromaticContact CD2-CE1 3.58Å; F12-F53 HydrophobicContact CD2-CE1 3.58Å; F12-F53 AromaticContact CD2-CZ 3.94Å; F12-F53 HydrophobicContact CD2-CZ 3.94Å; F12-F53 HydrophobicContact CE2-CE1 4.31Å; F12-F53 HydrophobicContact CE2-CZ 4.21Å; F12-L81 WeakPolarHBondContact O-CA 3.44Å; F12-Q82 HydrophobicContact CB-CB 4.34Å; F12-Q82 HydrophobicContact CD1-CB 4.12Å; F12-Q82 HydrophobicContact CD1-CG 4.35Å; F12-Q82 PolarHBondContact N-O 2.87Å; F12-Q82 PolarHBondContact O-N 2.91Å |
| 13 | V | 93.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 118.5 | 179.4 | -169.2 | 0 | 0 | 0 | 0 | 108.1 | V11 L16 F29 Y51 G52 V54 I79 L81 | V11-V13 HydrophobicContact CG1-CG2 4.33Å; V13-L16 HydrophobicContact CB-CD1 4.34Å; V13-L16 HydrophobicContact CG1-CD1 4.13Å; V13-L16 HydrophobicContact CG1-CD2 3.62Å; V13-L16 HydrophobicContact CG1-CG 3.84Å; V13-F29 HydrophobicContact CG1-CZ 4.24Å; V13-F29 HydrophobicContact CG2-CE1 3.94Å; V13-F29 HydrophobicContact CG2-CE2 4.27Å; V13-F29 HydrophobicContact CG2-CZ 3.46Å; V13-F29 VanDerWaalsContact CG2-CZ 3.46Å; V13-Y51 CarbonylContact O-C 3.57Å; V13-Y51 WeakPolarHBondContact O-CA 3.44Å; V13-Y51 VanDerWaalsContact O-CB 3.3Å; V13-Y51 WeakPolarHBondContact O-CB 3.45Å; V13-G52 PolarHBondContact N-O 2.9Å; V13-G52 PolarHBondContact O-N 3.44Å; V13-V54 HydrophobicContact CG2-CG2 3.7Å; V13-I79 HydrophobicContact CG1-CB 4.46Å; V13-L81 HydrophobicContact CB-CD2 4.09Å; V13-L81 HydrophobicContact CG1-CD2 3.7Å; V13-L81 HydrophobicContact CG2-CD2 3.88Å |
| 14 | A | 92.3 | Very high | 85.2 | Confident | 18 Ų | 18 | 55.9 Ų | 55.9 | 15% | 0.149 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 164.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | F12 L16 S50 R80 | F12-A14 HydrophobicContact CD1-CB 4.29Å; F12-A14 HydrophobicContact CE1-CB 3.55Å; F12-A14 HydrophobicContact CZ-CB 4.07Å; A14-L16 VanDerWaalsContact C-N 3.28Å; A14-L16 PolarHBondContact O-N 2.98Å; A14-S50 CarbonylContact C-O 3.56Å; A14-R80 HydrophobicContact CB-CB 4.16Å; A14-R80 PolarHBondContact N-O 3.05Å; A14-R80 PolarHBondContact O-N 2.94Å |
| 15 | N | 93.6 | Very high | 87.1 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 33% | 0.326 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 61.1 | 33.7 | -179.2 | -160.9 | 35.8 | 0 | 0 | 0 | 113.6 | S50 R77 Q78 | N15-S50 PolarHBondContact N-O 2.64Å; N15-R77 PolarHBondContact OD1-NE 3.04Å; N15-R77 VanDerWaalsContact OD1-NE 3.15Å; N15-R77 PolarHBondContact OD1-NH2 3.48Å; N15-Q78 WeakPolarHBondContact CB-O 3.49Å; N15-Q78 PolarHBondContact ND2-O 3.1Å |
| 16 | L | 92.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 25% | 0.246 | C | C | . | . | trans | -66.4 | 136 | 173 | -70.6 | 173.1 | 0 | 0 | 0 | 110.6 | V13 A14 A20 I25 I40 S50 L74 I79 | V13-L16 HydrophobicContact CB-CD1 4.34Å; V13-L16 HydrophobicContact CG1-CD1 4.13Å; V13-L16 HydrophobicContact CG1-CD2 3.62Å; V13-L16 HydrophobicContact CG1-CG 3.84Å; A14-L16 VanDerWaalsContact C-N 3.28Å; A14-L16 PolarHBondContact O-N 2.98Å; L16-A20 HydrophobicContact CD2-CB 4.31Å; L16-I25 HydrophobicContact CD1-CD1 3.61Å; L16-I25 HydrophobicContact CD2-CD1 3.71Å; L16-I25 HydrophobicContact CD2-CG1 4.34Å; L16-I25 HydrophobicContact CG-CD1 4.32Å; L16-I40 HydrophobicContact CD1-CG1 4.47Å; L16-S50 PolarHBondContact N-O 3.43Å; L16-S50 WeakPolarHBondContact O-CA 3.14Å; L16-S50 WeakPolarHBondContact O-CB 3.23Å; L16-L74 HydrophobicContact CD2-CD2 4.37Å; L16-I79 HydrophobicContact CD2-CG2 4.13Å | ||
| 17 | G | 87.9 | Confident | 90.1 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | trans | -73.5 | 154.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S19 A20 Q48 | G17-S19 PolarHBondContact O-N 2.84Å; G17-A20 VanDerWaalsContact O-CB 3.27Å; G17-A20 WeakPolarHBondContact O-CB 3.32Å; G17-A20 PolarHBondContact O-N 3.48Å; G17-Q48 PolarHBondContact O-OE1 2.9Å | ||
| 18 | S | 86.9 | Confident | 91.1 | Very high | 92 Ų | 92 | 49.5 Ų | 49.5 | 64% | 0.643 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 3.4 | 178.9 | 51.1 | 0 | 0 | 0 | 0 | 114.7 | Q48 | S18-Q48 PolarHBondContact O-NE2 2.8Š|
| 19 | S | 88.2 | Confident | 91.6 | Very high | 67 Ų | 67 | 46.1 Ų | 46.1 | 47% | 0.469 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -1.3 | 173.1 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | G17 N21 F75 | G17-S19 PolarHBondContact O-N 2.84Å; S19-N21 PolarHBondContact O-N 3.25Å; S19-F75 WeakPolarHBondContact O-CE2 3.32Å |
| 20 | A | 88.6 | Confident | 91.9 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.25 | C | C | . | . | trans | -77.4 | 116.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L16 G17 I25 I40 Q48 L74 F75 | L16-A20 HydrophobicContact CD2-CB 4.31Å; G17-A20 VanDerWaalsContact O-CB 3.27Å; G17-A20 WeakPolarHBondContact O-CB 3.32Å; G17-A20 PolarHBondContact O-N 3.48Å; A20-I25 HydrophobicContact CB-CD1 4.44Å; A20-I40 VanDerWaalsContact O-CD1 3.23Å; A20-I40 WeakPolarHBondContact O-CD1 3.32Å; A20-Q48 PolarHBondContact O-OE1 2.91Å; A20-L74 HydrophobicContact CB-CD2 3.62Å; A20-F75 HydrophobicContact CB-CD2 4.2Å; A20-F75 HydrophobicContact CB-CE2 4.24Å | ||
| 21 | N | 91.4 | Very high | 91.9 | Very high | 88 Ų | 88 | 53.2 Ų | 53.2 | 47% | 0.471 | 28% | 0.278 | S | S | . | . | trans | -95.5 | 158.7 | 175.2 | -66.4 | -22 | 0 | 0 | 0 | 111.2 | S19 E23 I24 I25 | S19-N21 PolarHBondContact O-N 3.25Å; N21-E23 PolarHBondContact O-N 3.37Å; N21-I24 HydrophobicContact CB-CD1 4.33Å; N21-I24 HydrophobicContact CB-CG1 4.31Å; N21-I24 PolarHBondContact O-N 3.45Å; N21-I25 WeakPolarHBondContact O-CG1 3.46Å; N21-I25 PolarHBondContact O-N 2.89Å; N21-I25 VanDerWaalsContact O-N 3.11Å | ||
| 22 | E | 92.1 | Very high | 91.8 | Very high | 61 Ų | 61 | 53.8 Ų | 53.8 | 29% | 0.285 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.3 | -35.1 | 177.8 | -75.6 | 159.4 | 103.8 | 0 | 0 | 112.1 | F26 V38 I40 R42 | E22-F26 VanDerWaalsContact O-CB 3.3Å; E22-F26 WeakPolarHBondContact O-CB 3.38Å; E22-F26 PolarHBondContact O-N 2.9Å; E22-V38 HydrophobicContact CB-CG1 4.41Å; E22-V38 HydrophobicContact CG-CG1 4.39Å; E22-I40 HydrophobicContact CG-CB 4.11Å; E22-I40 HydrophobicContact CG-CD1 3.75Å; E22-I40 HydrophobicContact CG-CG1 3.63Å; E22-R42 IonicContact OE2-CZ 3.67Å; E22-R42 IonicContact OE2-NE 3.99Å; E22-R42 IonicContact OE2-NH2 2.95Å; E22-R42 PolarHBondContact OE2-NH2 3.23Å |
| 23 | E | 92.9 | Very high | 91.8 | Very high | 148 Ų | 148 | 52.2 Ų | 52.2 | 69% | 0.692 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.3 | -46.7 | 176.3 | -65.3 | 169.4 | -177.9 | 0 | 0 | 112.1 | N21 I25 F26 E27 | N21-E23 PolarHBondContact O-N 3.37Å; E23-I25 VanDerWaalsContact C-N 3.35Å; E23-I25 PolarHBondContact O-N 2.81Å; E23-F26 WeakPolarHBondContact O-CA 2.94Å; E23-F26 WeakPolarHBondContact O-CB 3.42Å; E23-F26 PolarHBondContact O-N 3.27Å; E23-F26 VanDerWaalsContact O-N 3.11Å; E23-E27 WeakPolarHBondContact O-CG 3.3Å; E23-E27 PolarHBondContact O-N 2.95Å |
| 24 | I | 92.8 | Very high | 91.8 | Very high | 57 Ų | 57 | 55 Ų | 55 | 29% | 0.292 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | -179.7 | -58.9 | 178.3 | 0 | 0 | 0 | 110.5 | N21 F26 E27 L28 L74 F75 | N21-I24 HydrophobicContact CB-CD1 4.33Å; N21-I24 HydrophobicContact CB-CG1 4.31Å; N21-I24 PolarHBondContact O-N 3.45Å; I24-F26 VanDerWaalsContact C-N 3.3Å; I24-E27 PolarHBondContact O-N 2.92Å; I24-L28 WeakPolarHBondContact O-CB 3.1Å; I24-L28 PolarHBondContact O-N 2.89Å; I24-L74 HydrophobicContact CG2-CD1 4.43Å; I24-F75 HydrophobicContact CD1-CE2 4.01Å; I24-F75 HydrophobicContact CD1-CZ 3.63Å; I24-F75 HydrophobicContact CG2-CE2 4.4Å |
| 25 | I | 93.1 | Very high | 91.9 | Very high | 3 Ų | 3 | 54.7 Ų | 54.7 | 2% | 0.015 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 175 | -63.2 | 176.4 | 0 | 0 | 0 | 110 | L16 A20 N21 E23 L28 F29 V38 I40 V54 | L16-I25 HydrophobicContact CD1-CD1 3.61Å; L16-I25 HydrophobicContact CD2-CD1 3.71Å; L16-I25 HydrophobicContact CD2-CG1 4.34Å; L16-I25 HydrophobicContact CG-CD1 4.32Å; A20-I25 HydrophobicContact CB-CD1 4.44Å; N21-I25 WeakPolarHBondContact O-CG1 3.46Å; N21-I25 PolarHBondContact O-N 2.89Å; N21-I25 VanDerWaalsContact O-N 3.11Å; E23-I25 VanDerWaalsContact C-N 3.35Å; E23-I25 PolarHBondContact O-N 2.81Å; I25-L28 PolarHBondContact O-N 2.79Å; I25-F29 HydrophobicContact CG2-CD2 3.73Å; I25-F29 HydrophobicContact CG2-CE2 3.78Å; I25-F29 WeakPolarHBondContact O-CB 3.27Å; I25-F29 WeakPolarHBondContact O-CD2 3.4Å; I25-F29 PolarHBondContact O-N 3.05Å; I25-V38 HydrophobicContact CB-CG1 4.03Å; I25-V38 HydrophobicContact CG2-CG1 3.71Å; I25-I40 HydrophobicContact CD1-CD1 3.59Å; I25-I40 HydrophobicContact CD1-CG1 3.82Å; I25-V54 HydrophobicContact CG2-CG2 3.8Å |
| 26 | F | 94.6 | Very high | 91.8 | Very high | 78 Ų | 78 | 57.3 Ų | 57.3 | 34% | 0.342 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.7 | -51.5 | 176.4 | -168.9 | -86.3 | 0 | 0 | 0 | 111.1 | E22 E23 I24 L28 F29 L30 L35 V38 | E22-F26 VanDerWaalsContact O-CB 3.3Å; E22-F26 WeakPolarHBondContact O-CB 3.38Å; E22-F26 PolarHBondContact O-N 2.9Å; E23-F26 WeakPolarHBondContact O-CA 2.94Å; E23-F26 WeakPolarHBondContact O-CB 3.42Å; E23-F26 PolarHBondContact O-N 3.27Å; E23-F26 VanDerWaalsContact O-N 3.11Å; I24-F26 VanDerWaalsContact C-N 3.3Å; F26-L28 PolarHBondContact O-N 2.88Å; F26-F29 PolarHBondContact O-N 3.07Å; F26-L30 HydrophobicContact CD1-CD1 3.89Å; F26-L30 HydrophobicContact CD1-CD2 4.48Å; F26-L30 HydrophobicContact CD1-CG 4.05Å; F26-L30 HydrophobicContact CE1-CD1 3.78Å; F26-L30 HydrophobicContact CE1-CD2 3.9Å; F26-L30 HydrophobicContact CE1-CG 3.94Å; F26-L30 HydrophobicContact CZ-CD2 4.32Å; F26-L30 WeakPolarHBondContact O-CG 3.46Å; F26-L30 PolarHBondContact O-N 3.38Å; F26-L35 HydrophobicContact CB-CD1 4.38Å; F26-L35 HydrophobicContact CD1-CD1 4.25Å; F26-L35 HydrophobicContact CD2-CB 4.12Å; F26-L35 HydrophobicContact CD2-CD1 3.64Å; F26-L35 HydrophobicContact CE1-CD1 4.48Å; F26-L35 HydrophobicContact CE2-CB 3.53Å; F26-L35 HydrophobicContact CE2-CD1 3.89Å; F26-L35 HydrophobicContact CE2-CG 4.37Å; F26-L35 HydrophobicContact CG-CD1 3.83Å; F26-L35 HydrophobicContact CZ-CB 3.89Å; F26-L35 HydrophobicContact CZ-CD1 4.3Å; F26-L35 WeakPolarHBondContact O-CD1 3.48Å; F26-V38 HydrophobicContact CB-CG2 4.09Å; F26-V38 HydrophobicContact CD2-CB 4.47Å; F26-V38 HydrophobicContact CD2-CG2 3.74Å; F26-V38 HydrophobicContact CG-CG2 4.37Å |
| 27 | E | 93.8 | Very high | 91.8 | Very high | 131 Ų | 131 | 63.1 Ų | 63.1 | 61% | 0.612 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60 | -42.8 | 179.2 | -71.2 | 178.4 | 174.6 | 0 | 0 | 113.1 | E23 I24 F29 L30 | E23-E27 WeakPolarHBondContact O-CG 3.3Å; E23-E27 PolarHBondContact O-N 2.95Å; I24-E27 PolarHBondContact O-N 2.92Å; E27-F29 PolarHBondContact O-N 3.16Å; E27-L30 PolarHBondContact O-N 2.82Å |
| 28 | L | 92.4 | Very high | 92.1 | Very high | 41 Ų | 41 | 63.5 Ų | 63.5 | 22% | 0.215 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63 | -43.8 | 177.8 | -177.6 | 67.2 | 0 | 0 | 0 | 111.8 | I24 I25 F26 L30 Q31 L69 L74 I79 | I24-L28 WeakPolarHBondContact O-CB 3.1Å; I24-L28 PolarHBondContact O-N 2.89Å; I25-L28 PolarHBondContact O-N 2.79Å; F26-L28 PolarHBondContact O-N 2.88Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 2.89Å; L28-Q31 WeakPolarHBondContact O-CG 3.23Å; L28-Q31 PolarHBondContact O-N 3.22Å; L28-L69 HydrophobicContact CD1-CD2 3.97Å; L28-L69 HydrophobicContact CG-CD1 4.35Å; L28-L69 HydrophobicContact CG-CD2 4.17Å; L28-L74 HydrophobicContact CD2-CD1 3.78Å; L28-I79 HydrophobicContact CD2-CD1 3.96Å |
| 29 | F | 94.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -80.5 | -13.4 | -174.7 | -80.9 | -110.9 | 0 | 0 | 0 | 113.5 | V11 V13 I25 F26 E27 Q31 A32 L35 V54 Y56 L69 I79 L81 | V11-F29 HydrophobicContact CB-CE1 4.48Å; V11-F29 HydrophobicContact CG1-CE1 4.02Å; V13-F29 HydrophobicContact CG1-CZ 4.24Å; V13-F29 HydrophobicContact CG2-CE1 3.94Å; V13-F29 HydrophobicContact CG2-CE2 4.27Å; V13-F29 HydrophobicContact CG2-CZ 3.46Å; V13-F29 VanDerWaalsContact CG2-CZ 3.46Å; I25-F29 HydrophobicContact CG2-CD2 3.73Å; I25-F29 HydrophobicContact CG2-CE2 3.78Å; I25-F29 WeakPolarHBondContact O-CB 3.27Å; I25-F29 WeakPolarHBondContact O-CD2 3.4Å; I25-F29 PolarHBondContact O-N 3.05Å; F26-F29 PolarHBondContact O-N 3.07Å; E27-F29 PolarHBondContact O-N 3.16Å; F29-Q31 PolarHBondContact O-N 2.77Å; F29-A32 PolarHBondContact O-N 2.82Å; F29-L35 HydrophobicContact CB-CD1 3.83Å; F29-L35 HydrophobicContact CB-CD2 4.14Å; F29-L35 HydrophobicContact CB-CG 4.49Å; F29-V54 HydrophobicContact CB-CG1 4.13Å; F29-V54 HydrophobicContact CD1-CB 4.1Å; F29-V54 HydrophobicContact CD1-CG1 3.76Å; F29-V54 HydrophobicContact CD1-CG2 3.94Å; F29-V54 HydrophobicContact CD2-CG2 4.47Å; F29-V54 HydrophobicContact CE1-CB 4.33Å; F29-V54 HydrophobicContact CE1-CG1 4.47Å; F29-V54 HydrophobicContact CE1-CG2 3.98Å; F29-V54 HydrophobicContact CE2-CG2 4.48Å; F29-V54 HydrophobicContact CG-CG1 4.11Å; F29-V54 HydrophobicContact CG-CG2 4.19Å; F29-V54 HydrophobicContact CZ-CG2 4.23Å; F29-Y56 WeakPolarHBondContact CB-OH 3.27Å; F29-Y56 HydrophobicContact CD1-CE2 4.26Å; F29-Y56 VanDerWaalsContact CD1-OH 3.23Å; F29-Y56 WeakPolarHBondContact CD1-OH 3.07Å; F29-Y56 PolarHBondContact O-OH 3.01Å; F29-L69 HydrophobicContact CD1-CD1 4.32Å; F29-L69 HydrophobicContact CD2-CD1 4.33Å; F29-L69 HydrophobicContact CG-CD1 4.2Å; F29-I79 HydrophobicContact CE2-CD1 4.5Å; F29-L81 HydrophobicContact CE1-CD1 4.02Å; F29-L81 HydrophobicContact CE1-CD2 4.08Å; F29-L81 HydrophobicContact CZ-CD1 4.01Å; F29-L81 HydrophobicContact CZ-CD2 3.55Å; F29-L81 HydrophobicContact CZ-CG 4.47Å |
| 30 | L | 93.9 | Very high | 92.5 | Very high | 75 Ų | 75 | 58.4 Ų | 58.4 | 39% | 0.393 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.5 | -28.3 | 170.4 | -79.5 | 174.3 | 0 | 0 | 0 | 112.6 | F26 E27 L28 A32 G33 L35 | F26-L30 HydrophobicContact CD1-CD1 3.89Å; F26-L30 HydrophobicContact CD1-CD2 4.48Å; F26-L30 HydrophobicContact CD1-CG 4.05Å; F26-L30 HydrophobicContact CE1-CD1 3.78Å; F26-L30 HydrophobicContact CE1-CD2 3.9Å; F26-L30 HydrophobicContact CE1-CG 3.94Å; F26-L30 HydrophobicContact CZ-CD2 4.32Å; F26-L30 WeakPolarHBondContact O-CG 3.46Å; F26-L30 PolarHBondContact O-N 3.38Å; E27-L30 PolarHBondContact O-N 2.82Å; L28-L30 VanDerWaalsContact C-N 3.33Å; L28-L30 PolarHBondContact O-N 2.89Å; L30-A32 PolarHBondContact O-N 3.15Å; L30-G33 PolarHBondContact O-N 3.34Å; L30-G33 VanDerWaalsContact O-N 3.11Å; L30-L35 HydrophobicContact CD2-CD1 4.26Å; L30-L35 HydrophobicContact CD2-CG 4.29Å; L30-L35 HydrophobicContact CG-CD1 4.19Å |
| 31 | Q | 90.8 | Very high | 92.6 | Very high | 141 Ų | 141 | 59.4 Ų | 59.4 | 66% | 0.659 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26.5 | 178.1 | -60.2 | -56.5 | -51.1 | 0 | 0 | 112.8 | L28 F29 | L28-Q31 WeakPolarHBondContact O-CG 3.23Å; L28-Q31 PolarHBondContact O-N 3.22Å; F29-Q31 PolarHBondContact O-N 2.77Å |
| 32 | A | 90.8 | Very high | 92.5 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -17 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F29 L30 Y56 Y64 A65 | F29-A32 PolarHBondContact O-N 2.82Å; L30-A32 PolarHBondContact O-N 3.15Å; A32-Y56 HydrophobicContact CB-CE1 4.42Å; A32-Y64 HydrophobicContact CB-CD1 3.9Å; A32-Y64 HydrophobicContact CB-CE1 4.4Å; A32-A65 HydrophobicContact CB-CB 3.5Å; A32-A65 VanDerWaalsContact CB-CB 3.5Å |
| 33 | G | 91.9 | Very high | 92.4 | Very high | 17 Ų | 17 | 62.4 Ų | 62.4 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 153.2 | 177.3 | 177 | 0 | 0 | 0 | 0 | 0 | 114.5 | L30 L35 | L30-G33 PolarHBondContact O-N 3.34Å; L30-G33 VanDerWaalsContact O-N 3.11Å; G33-L35 PolarHBondContact O-N 2.95Å |
| 34 | P | 93.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 67.3 Ų | 67.3 | 38% | 0.377 | 32% | 0.318 | S | S | . | . | trans | -71.5 | 125.1 | -175.4 | 29.7 | -35.5 | 0 | 0 | 0 | 111.7 | K57 | P34-K57 HydrophobicContact CB-CD 4.17Å; P34-K57 HydrophobicContact CG-CB 4.39Å; P34-K57 PolarHBondContact O-N 3.45Å | ||
| 35 | L | 93.6 | Very high | 91.9 | Very high | 11 Ų | 11 | 71.1 Ų | 71.1 | 6% | 0.058 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 149.3 | -179.4 | -65.7 | 174.2 | 0 | 0 | 0 | 112.2 | F26 F29 L30 G33 V38 V54 Y56 K57 | F26-L35 HydrophobicContact CB-CD1 4.38Å; F26-L35 HydrophobicContact CD1-CD1 4.25Å; F26-L35 HydrophobicContact CD2-CB 4.12Å; F26-L35 HydrophobicContact CD2-CD1 3.64Å; F26-L35 HydrophobicContact CE1-CD1 4.48Å; F26-L35 HydrophobicContact CE2-CB 3.53Å; F26-L35 HydrophobicContact CE2-CD1 3.89Å; F26-L35 HydrophobicContact CE2-CG 4.37Å; F26-L35 HydrophobicContact CG-CD1 3.83Å; F26-L35 HydrophobicContact CZ-CB 3.89Å; F26-L35 HydrophobicContact CZ-CD1 4.3Å; F26-L35 WeakPolarHBondContact O-CD1 3.48Å; F29-L35 HydrophobicContact CB-CD1 3.83Å; F29-L35 HydrophobicContact CB-CD2 4.14Å; F29-L35 HydrophobicContact CB-CG 4.49Å; L30-L35 HydrophobicContact CD2-CD1 4.26Å; L30-L35 HydrophobicContact CD2-CG 4.29Å; L30-L35 HydrophobicContact CG-CD1 4.19Å; G33-L35 PolarHBondContact O-N 2.95Å; L35-V38 HydrophobicContact CD1-CG2 4.21Å; L35-V54 HydrophobicContact CD2-CG1 3.32Å; L35-Y56 HydrophobicContact CD2-CD1 3.58Å; L35-Y56 HydrophobicContact CD2-CD2 4.27Å; L35-Y56 HydrophobicContact CD2-CE1 3.35Å; L35-Y56 HydrophobicContact CD2-CE2 4.08Å; L35-Y56 HydrophobicContact CD2-CG 4.04Å; L35-Y56 HydrophobicContact CG-CD1 4.5Å; L35-Y56 HydrophobicContact CG-CE1 4.22Å; L35-K57 VanDerWaalsContact O-CE 3.31Å; L35-K57 WeakPolarHBondContact O-CE 3.32Å |
| 36 | K | 92.9 | Very high | 91.4 | Very high | 117 Ų | 117 | 73.4 Ų | 73.4 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -48.5 | 170 | -175.7 | -174 | 179.9 | -167.5 | 0 | 110.4 | E6 Y55 K57 | E6-K36 IonicContact OE1-NZ 2.72Å; E6-K36 PolarHBondContact OE1-NZ 2.85Å; E6-K36 IonicContact OE2-NZ 2.89Å; E6-K36 PolarHBondContact OE2-NZ 2.65Å; K36-Y55 WeakPolarHBondContact CB-O 3.3Å; K36-Y55 PolarHBondContact N-O 3.45Å; K36-K57 HydrophobicContact CB-CG 4.28Å |
| 37 | K | 92 | Very high | 91 | Very high | 123 Ų | 123 | 77.2 Ų | 77.2 | 54% | 0.535 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.2 | 150.4 | -176.2 | -172.4 | 176.7 | -177.1 | -169.3 | 0 | 110.5 | T39 Y55 | K37-T39 VanDerWaalsContact CE-OG1 3.27Å; K37-T39 WeakPolarHBondContact CE-OG1 3.36Å; K37-Y55 HydrophobicContact CB-CD2 4.06Å; K37-Y55 PolarHBondContact N-O 3.29Å; K37-Y55 WeakPolarHBondContact O-CB 3.42Å; K37-Y55 PolarHBondContact O-N 3.39Å |
| 38 | V | 93.7 | Very high | 90.7 | Very high | 14 Ų | 14 | 74 Ų | 74 | 9% | 0.085 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.1 | 165.9 | 175.9 | 0 | 0 | 0 | 0 | 107.9 | E22 I25 F26 L35 V54 | E22-V38 HydrophobicContact CB-CG1 4.41Å; E22-V38 HydrophobicContact CG-CG1 4.39Å; I25-V38 HydrophobicContact CB-CG1 4.03Å; I25-V38 HydrophobicContact CG2-CG1 3.71Å; F26-V38 HydrophobicContact CB-CG2 4.09Å; F26-V38 HydrophobicContact CD2-CB 4.47Å; F26-V38 HydrophobicContact CD2-CG2 3.74Å; F26-V38 HydrophobicContact CG-CG2 4.37Å; L35-V38 HydrophobicContact CD1-CG2 4.21Å; V38-V54 HydrophobicContact CG1-CG2 4.31Å; V38-V54 HydrophobicContact CG2-CG1 4.13Å; V38-V54 HydrophobicContact CG2-CG2 4.18Å |
| 39 | T | 91.5 | Very high | 90.5 | Very high | 42 Ų | 42 | 77 Ų | 77 | 26% | 0.258 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 120.4 | 177.5 | -60.4 | 0 | 0 | 0 | 0 | 109.8 | K37 G52 F53 | K37-T39 VanDerWaalsContact CE-OG1 3.27Å; K37-T39 WeakPolarHBondContact CE-OG1 3.36Å; T39-G52 CarbonylContact O-C 3.53Å; T39-G52 VanDerWaalsContact O-CA 3.32Å; T39-G52 WeakPolarHBondContact O-CA 3.31Å; T39-F53 PolarHBondContact N-O 3.22Å; T39-F53 PolarHBondContact O-N 3.09Å |
| 40 | I | 92.6 | Very high | 90.3 | Very high | 10 Ų | 10 | 79.8 Ų | 79.8 | 5% | 0.051 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 132.5 | 172.2 | -63.2 | 175.3 | 0 | 0 | 0 | 108.5 | L16 A20 E22 I25 R42 Q48 | L16-I40 HydrophobicContact CD1-CG1 4.47Å; A20-I40 VanDerWaalsContact O-CD1 3.23Å; A20-I40 WeakPolarHBondContact O-CD1 3.32Å; E22-I40 HydrophobicContact CG-CB 4.11Å; E22-I40 HydrophobicContact CG-CD1 3.75Å; E22-I40 HydrophobicContact CG-CG1 3.63Å; I25-I40 HydrophobicContact CD1-CD1 3.59Å; I25-I40 HydrophobicContact CD1-CG1 3.82Å; I40-R42 PolarHBondContact O-N 2.81Å; I40-Q48 HydrophobicContact CG2-CB 4.22Å |
| 41 | A | 89.8 | Confident | 90.2 | Very high | 20 Ų | 20 | 79.5 Ų | 79.5 | 17% | 0.165 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 125.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | R49 Y51 | A41-R49 HydrophobicContact CB-CB 4.23Å; A41-R49 WeakPolarHBondContact O-CB 3.39Å; A41-R49 PolarHBondContact O-N 3.45Å; A41-Y51 HydrophobicContact CB-CD2 3.76Å; A41-Y51 HydrophobicContact CB-CE1 4.39Å; A41-Y51 HydrophobicContact CB-CE2 3.24Å; A41-Y51 PolarHBondContact N-O 3.34Å; A41-Y51 VanDerWaalsContact N-O 3.15Å |
| 42 | R | 90.4 | Very high | 90.3 | Very high | 152 Ų | 152 | 72.9 Ų | 72.9 | 57% | 0.574 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 144.8 | 175.1 | -59.2 | -176.9 | -170.4 | -179.3 | 2 | 109.2 | E22 I40 R47 | E22-R42 IonicContact OE2-CZ 3.67Å; E22-R42 IonicContact OE2-NE 3.99Å; E22-R42 IonicContact OE2-NH2 2.95Å; E22-R42 PolarHBondContact OE2-NH2 3.23Å; I40-R42 PolarHBondContact O-N 2.81Å; R42-R47 WeakPolarHBondContact CA-O 3.45Å |
| 43 | D | 88.9 | Confident | 90.3 | Very high | 61 Ų | 61 | 75.1 Ų | 75.1 | 33% | 0.326 | 36% | 0.356 | S | S | . | . | trans | -77.9 | 171.6 | 176.2 | -154.1 | 22 | 0 | 0 | 0 | 111.6 | E45 G46 R47 R49 | D43-E45 PolarHBondContact O-N 3Å; D43-E45 VanDerWaalsContact O-N 3.13Å; D43-G46 PolarHBondContact O-N 3.09Å; D43-R47 PolarHBondContact N-O 2.93Å; D43-R49 IonicContact OD1-CZ 3.73Å; D43-R49 IonicContact OD1-NE 3.76Å; D43-R49 IonicContact OD1-NH2 2.85Å; D43-R49 PolarHBondContact OD1-NH2 3.49Å | ||
| 44 | R | 88.3 | Confident | 90.4 | Very high | 251 Ų | 251 | 74.3 Ų | 74.3 | 95% | 0.947 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.4 | 179.2 | -67.1 | -176.1 | 179.9 | -176.4 | 0 | 113.4 | G46 | R44-G46 VanDerWaalsContact C-N 3.27Å; R44-G46 PolarHBondContact O-N 2.81Å |
| 45 | E | 87.2 | Confident | 90.3 | Very high | 136 Ų | 136 | 74.3 Ų | 74.3 | 64% | 0.636 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 5.5 | 176.8 | -62.6 | 174.8 | -178.1 | 0 | 0 | 113.4 | D43 R47 | D43-E45 PolarHBondContact O-N 3Å; D43-E45 VanDerWaalsContact O-N 3.13Å; E45-R47 PolarHBondContact O-N 3.38Å; E45-R47 IonicContact OE1-NH2 3.96Å; E45-R47 IonicContact OE2-CZ 3.11Å; E45-R47 IonicContact OE2-NE 2.87Å; E45-R47 PolarHBondContact OE2-NE 2.94Å; E45-R47 IonicContact OE2-NH2 2.65Å; E45-R47 PolarHBondContact OE2-NH2 3.48Å |
| 46 | G | 83.1 | Confident | 90.3 | Very high | 52 Ų | 52 | 73.9 Ų | 73.9 | 54% | 0.536 | 34% | 0.338 | S | S | . | . | S | Bend | trans | 78.5 | -3.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | D43 R44 | D43-G46 PolarHBondContact O-N 3.09Å; R44-G46 VanDerWaalsContact C-N 3.27Å; R44-G46 PolarHBondContact O-N 2.81Å |
| 47 | R | 85.9 | Confident | 90.2 | Very high | 158 Ų | 158 | 73.9 Ų | 73.9 | 60% | 0.596 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 130.6 | 174.5 | -64.4 | -170.7 | -74.8 | 159.3 | -1.5 | 110.4 | R42 D43 E45 | R42-R47 WeakPolarHBondContact CA-O 3.45Å; D43-R47 PolarHBondContact N-O 2.93Å; E45-R47 PolarHBondContact O-N 3.38Å; E45-R47 IonicContact OE1-NH2 3.96Å; E45-R47 IonicContact OE2-CZ 3.11Å; E45-R47 IonicContact OE2-NE 2.87Å; E45-R47 PolarHBondContact OE2-NE 2.94Å; E45-R47 IonicContact OE2-NH2 2.65Å; E45-R47 PolarHBondContact OE2-NH2 3.48Å |
| 48 | Q | 86.2 | Confident | 90.1 | Very high | 63 Ų | 63 | 73 Ų | 73 | 29% | 0.294 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 139.4 | 177 | 80.8 | -167.6 | -88.3 | 0 | 0 | 110.8 | G17 S18 A20 I40 | G17-Q48 PolarHBondContact O-OE1 2.9Å; S18-Q48 PolarHBondContact O-NE2 2.8Å; A20-Q48 PolarHBondContact O-OE1 2.91Å; I40-Q48 HydrophobicContact CG2-CB 4.22Å |
| 49 | R | 88.4 | Confident | 89.7 | Confident | 104 Ų | 104 | 74.4 Ų | 74.4 | 39% | 0.392 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 158.6 | 170.1 | -60.8 | -171 | 173.2 | -166.7 | -4.4 | 109.2 | A41 D43 Y51 | A41-R49 HydrophobicContact CB-CB 4.23Å; A41-R49 WeakPolarHBondContact O-CB 3.39Å; A41-R49 PolarHBondContact O-N 3.45Å; D43-R49 IonicContact OD1-CZ 3.73Å; D43-R49 IonicContact OD1-NE 3.76Å; D43-R49 IonicContact OD1-NH2 2.85Å; D43-R49 PolarHBondContact OD1-NH2 3.49Å; R49-Y51 HydrophobicContact CB-CD1 3.83Å; R49-Y51 HydrophobicContact CB-CE1 3.65Å; R49-Y51 VanDerWaalsContact CD-CE1 3.48Å; R49-Y51 VanDerWaalsContact CD-OH 3.32Å; R49-Y51 WeakPolarHBondContact CD-OH 3.44Å; R49-Y51 HydrophobicContact CG-CE1 4.2Å; R49-Y51 PolarHBondContact NH1-OH 3.02Å; R49-Y51 PolarHBondContact O-N 3.37Å |
| 50 | S | 90.2 | Very high | 89.5 | Confident | 59 Ų | 59 | 80.4 Ų | 80.4 | 41% | 0.413 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 27.8 | 178.7 | -53.1 | 0 | 0 | 0 | 0 | 113.7 | A14 N15 L16 | A14-S50 CarbonylContact C-O 3.56Å; N15-S50 PolarHBondContact N-O 2.64Å; L16-S50 PolarHBondContact N-O 3.43Å; L16-S50 WeakPolarHBondContact O-CA 3.14Å; L16-S50 WeakPolarHBondContact O-CB 3.23Å |
| 51 | Y | 92 | Very high | 89.4 | Confident | 70 Ų | 70 | 80.4 Ų | 80.4 | 28% | 0.275 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 157.1 | 178.1 | 69 | -93.3 | 0 | 0 | 0 | 113 | F12 V13 A41 R49 F53 | F12-Y51 AromaticContact CE2-CD2 3.78Å; F12-Y51 HydrophobicContact CE2-CD2 3.78Å; F12-Y51 HydrophobicContact CE2-CG 4.03Å; F12-Y51 HydrophobicContact CZ-CD2 4.47Å; F12-Y51 HydrophobicContact CZ-CG 4.29Å; V13-Y51 CarbonylContact O-C 3.57Å; V13-Y51 WeakPolarHBondContact O-CA 3.44Å; V13-Y51 VanDerWaalsContact O-CB 3.3Å; V13-Y51 WeakPolarHBondContact O-CB 3.45Å; A41-Y51 HydrophobicContact CB-CD2 3.76Å; A41-Y51 HydrophobicContact CB-CE1 4.39Å; A41-Y51 HydrophobicContact CB-CE2 3.24Å; A41-Y51 PolarHBondContact N-O 3.34Å; A41-Y51 VanDerWaalsContact N-O 3.15Å; R49-Y51 HydrophobicContact CB-CD1 3.83Å; R49-Y51 HydrophobicContact CB-CE1 3.65Å; R49-Y51 VanDerWaalsContact CD-CE1 3.48Å; R49-Y51 VanDerWaalsContact CD-OH 3.32Å; R49-Y51 WeakPolarHBondContact CD-OH 3.44Å; R49-Y51 HydrophobicContact CG-CE1 4.2Å; R49-Y51 PolarHBondContact NH1-OH 3.02Å; R49-Y51 PolarHBondContact O-N 3.37Å; Y51-F53 HydrophobicContact CD2-CE2 4.19Å; Y51-F53 HydrophobicContact CE2-CE2 4.09Å |
| 52 | G | 92.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 79.6 Ų | 79.6 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V13 T39 | V13-G52 PolarHBondContact N-O 2.9Å; V13-G52 PolarHBondContact O-N 3.44Å; T39-G52 CarbonylContact O-C 3.53Å; T39-G52 VanDerWaalsContact O-CA 3.32Å; T39-G52 WeakPolarHBondContact O-CA 3.31Å |
| 53 | F | 92.6 | Very high | 89.4 | Confident | 57 Ų | 57 | 75.2 Ų | 75.2 | 25% | 0.25 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.2 | 179.6 | -60.7 | -86.1 | 0 | 0 | 0 | 110 | T10 V11 F12 T39 Y51 Y55 | T10-F53 HydrophobicContact CG2-CB 4.21Å; T10-F53 HydrophobicContact CG2-CD1 4.02Å; V11-F53 WeakPolarHBondContact O-CA 3.5Å; F12-F53 HydrophobicContact CD2-CD1 4.11Å; F12-F53 AromaticContact CD2-CE1 3.58Å; F12-F53 HydrophobicContact CD2-CE1 3.58Å; F12-F53 AromaticContact CD2-CZ 3.94Å; F12-F53 HydrophobicContact CD2-CZ 3.94Å; F12-F53 HydrophobicContact CE2-CE1 4.31Å; F12-F53 HydrophobicContact CE2-CZ 4.21Å; T39-F53 PolarHBondContact N-O 3.22Å; T39-F53 PolarHBondContact O-N 3.09Å; Y51-F53 HydrophobicContact CD2-CE2 4.19Å; Y51-F53 HydrophobicContact CE2-CE2 4.09Å; F53-Y55 HydrophobicContact CB-CE2 3.93Å |
| 54 | V | 93.8 | Very high | 89.5 | Confident | 1 Ų | 1 | 78.3 Ų | 78.3 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 124.5 | 177.2 | 178.2 | 0 | 0 | 0 | 0 | 108.2 | T10 V11 V13 I25 F29 L35 V38 Y56 | T10-V54 CarbonylContact C-O 3.48Å; T10-V54 VanDerWaalsContact CA-O 3.31Å; T10-V54 WeakPolarHBondContact CA-O 3.48Å; V11-V54 HydrophobicContact CB-CB 4.35Å; V11-V54 PolarHBondContact N-O 2.99Å; V11-V54 PolarHBondContact O-N 3.15Å; V13-V54 HydrophobicContact CG2-CG2 3.7Å; I25-V54 HydrophobicContact CG2-CG2 3.8Å; F29-V54 HydrophobicContact CB-CG1 4.13Å; F29-V54 HydrophobicContact CD1-CB 4.1Å; F29-V54 HydrophobicContact CD1-CG1 3.76Å; F29-V54 HydrophobicContact CD1-CG2 3.94Å; F29-V54 HydrophobicContact CD2-CG2 4.47Å; F29-V54 HydrophobicContact CE1-CB 4.33Å; F29-V54 HydrophobicContact CE1-CG1 4.47Å; F29-V54 HydrophobicContact CE1-CG2 3.98Å; F29-V54 HydrophobicContact CE2-CG2 4.48Å; F29-V54 HydrophobicContact CG-CG1 4.11Å; F29-V54 HydrophobicContact CG-CG2 4.19Å; F29-V54 HydrophobicContact CZ-CG2 4.23Å; L35-V54 HydrophobicContact CD2-CG1 3.32Å; V38-V54 HydrophobicContact CG1-CG2 4.31Å; V38-V54 HydrophobicContact CG2-CG1 4.13Å; V38-V54 HydrophobicContact CG2-CG2 4.18Å; V54-Y56 HydrophobicContact CG1-CD2 4.35Å; V54-Y56 HydrophobicContact CG1-CE2 3.92Å |
| 55 | Y | 92.1 | Very high | 89.7 | Confident | 57 Ų | 57 | 66.4 Ų | 66.4 | 22% | 0.224 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 118.3 | -178.8 | -59.8 | -88.9 | 0 | 0 | 0 | 109.4 | E6 T10 K36 K37 F53 | E6-Y55 HydrophobicContact CG-CD1 3.78Å; E6-Y55 HydrophobicContact CG-CE1 3.94Å; T10-Y55 HydrophobicContact CG2-CD1 4.15Å; T10-Y55 HydrophobicContact CG2-CE1 3.92Å; T10-Y55 VanDerWaalsContact OG1-CD1 3.22Å; T10-Y55 WeakPolarHBondContact OG1-CD1 3.36Å; T10-Y55 VanDerWaalsContact OG1-CE1 3.3Å; T10-Y55 WeakPolarHBondContact OG1-CE1 3.22Å; K36-Y55 WeakPolarHBondContact CB-O 3.3Å; K36-Y55 PolarHBondContact N-O 3.45Å; K37-Y55 HydrophobicContact CB-CD2 4.06Å; K37-Y55 PolarHBondContact N-O 3.29Å; K37-Y55 WeakPolarHBondContact O-CB 3.42Å; K37-Y55 PolarHBondContact O-N 3.39Å; F53-Y55 HydrophobicContact CB-CE2 3.93Å |
| 56 | Y | 93.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 156.1 | 174.6 | -77.8 | -83.2 | 0 | 0 | 0 | 112 | K9 V11 F29 A32 L35 V54 H58 A61 V62 A65 | K9-Y56 PolarHBondContact O-N 3.01Å; V11-Y56 HydrophobicContact CB-CE2 4.47Å; V11-Y56 HydrophobicContact CG2-CD2 4.06Å; V11-Y56 HydrophobicContact CG2-CE2 3.71Å; F29-Y56 WeakPolarHBondContact CB-OH 3.27Å; F29-Y56 HydrophobicContact CD1-CE2 4.26Å; F29-Y56 VanDerWaalsContact CD1-OH 3.23Å; F29-Y56 WeakPolarHBondContact CD1-OH 3.07Å; F29-Y56 PolarHBondContact O-OH 3.01Å; A32-Y56 HydrophobicContact CB-CE1 4.42Å; L35-Y56 HydrophobicContact CD2-CD1 3.58Å; L35-Y56 HydrophobicContact CD2-CD2 4.27Å; L35-Y56 HydrophobicContact CD2-CE1 3.35Å; L35-Y56 HydrophobicContact CD2-CE2 4.08Å; L35-Y56 HydrophobicContact CD2-CG 4.04Å; L35-Y56 HydrophobicContact CG-CD1 4.5Å; L35-Y56 HydrophobicContact CG-CE1 4.22Å; V54-Y56 HydrophobicContact CG1-CD2 4.35Å; V54-Y56 HydrophobicContact CG1-CE2 3.92Å; Y56-H58 VanDerWaalsContact CB-O 3.3Å; Y56-H58 WeakPolarHBondContact CB-O 3.32Å; Y56-A61 HydrophobicContact CD1-CB 3.43Å; Y56-A61 VanDerWaalsContact CD1-CB 3.43Å; Y56-A61 HydrophobicContact CD2-CB 4.5Å; Y56-A61 HydrophobicContact CE1-CB 3.86Å; Y56-A61 HydrophobicContact CG-CB 3.8Å; Y56-V62 HydrophobicContact CD2-CG2 4.1Å; Y56-A65 HydrophobicContact CE2-CB 3.95Å; Y56-A65 VanDerWaalsContact OH-CB 3.3Å; Y56-A65 WeakPolarHBondContact OH-CB 3.41Å |
| 57 | K | 91.2 | Very high | 90.2 | Very high | 117 Ų | 117 | 62.6 Ų | 62.6 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -71 | -36.8 | 169.7 | -65.7 | -169.9 | -176.4 | 177.3 | 0 | 111.7 | K9 P34 L35 K36 | K9-K57 PolarHBondContact NZ-O 3.11Å; P34-K57 HydrophobicContact CB-CD 4.17Å; P34-K57 HydrophobicContact CG-CB 4.39Å; P34-K57 PolarHBondContact O-N 3.45Å; L35-K57 VanDerWaalsContact O-CE 3.31Å; L35-K57 WeakPolarHBondContact O-CE 3.32Å; K36-K57 HydrophobicContact CB-CG 4.28Å |
| 58 | H | 88.3 | Confident | 90.5 | Very high | 106 Ų | 106 | 59 Ų | 59 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -115.9 | 143 | -177.4 | -52.3 | -73.3 | 0 | 0 | 0 | 111 | Y56 E60 | Y56-H58 VanDerWaalsContact CB-O 3.3Å; Y56-H58 WeakPolarHBondContact CB-O 3.32Å; H58-E60 VanDerWaalsContact C-N 3.34Å |
| 59 | A | 86.4 | Confident | 90.8 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 35% | 0.347 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -72.7 | -29.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K9 A61 V62 P63 | K9-A59 HydrophobicContact CG-CB 3.97Å; A59-A61 PolarHBondContact O-N 3.22Å; A59-V62 WeakPolarHBondContact O-CB 3.28Å; A59-V62 PolarHBondContact O-N 2.99Å; A59-V62 VanDerWaalsContact O-N 3.1Å; A59-P63 VanDerWaalsContact O-CD 3.23Å; A59-P63 WeakPolarHBondContact O-CD 3.48Å |
| 60 | E | 87 | Confident | 91.1 | Very high | 168 Ų | 168 | 55.4 Ų | 55.4 | 79% | 0.785 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.7 | 178.9 | -66.8 | 161.2 | -153.1 | 0 | 0 | 113.2 | H58 V62 P63 | H58-E60 VanDerWaalsContact C-N 3.34Å; E60-V62 VanDerWaalsContact C-N 3.29Å; E60-V62 PolarHBondContact O-N 3.3Å; E60-P63 VanDerWaalsContact O-CD 3.28Å; E60-P63 WeakPolarHBondContact O-CD 3.32Å; E60-P63 WeakPolarHBondContact O-CG 3.3Å |
| 61 | A | 89.8 | Confident | 91.1 | Very high | 10 Ų | 10 | 54 Ų | 54 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.7 | -24.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y56 A59 Y64 A65 | Y56-A61 HydrophobicContact CD1-CB 3.43Å; Y56-A61 VanDerWaalsContact CD1-CB 3.43Å; Y56-A61 HydrophobicContact CD2-CB 4.5Å; Y56-A61 HydrophobicContact CE1-CB 3.86Å; Y56-A61 HydrophobicContact CG-CB 3.8Å; A59-A61 PolarHBondContact O-N 3.22Å; A61-Y64 PolarHBondContact O-N 3.44Å; A61-A65 WeakPolarHBondContact O-CB 3.23Å; A61-A65 PolarHBondContact O-N 3.19Å |
| 62 | V | 90.4 | Very high | 91.1 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.024 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.6 | -56.8 | -179.1 | 175.9 | 0 | 0 | 0 | 0 | 112.6 | V11 Y56 A59 E60 Y64 A65 I66 Y83 | V11-V62 HydrophobicContact CG2-CB 4.22Å; V11-V62 HydrophobicContact CG2-CG1 3.79Å; V11-V62 HydrophobicContact CG2-CG2 4.2Å; Y56-V62 HydrophobicContact CD2-CG2 4.1Å; A59-V62 WeakPolarHBondContact O-CB 3.28Å; A59-V62 PolarHBondContact O-N 2.99Å; A59-V62 VanDerWaalsContact O-N 3.1Å; E60-V62 VanDerWaalsContact C-N 3.29Å; E60-V62 PolarHBondContact O-N 3.3Å; V62-Y64 VanDerWaalsContact C-N 3.26Å; V62-Y64 PolarHBondContact O-N 2.85Å; V62-A65 PolarHBondContact O-N 3.17Å; V62-I66 HydrophobicContact CG1-CD1 4.05Å; V62-I66 WeakPolarHBondContact O-CG1 3.22Å; V62-I66 PolarHBondContact O-N 3.28Å; V62-I66 VanDerWaalsContact O-N 3.09Å; V62-Y83 HydrophobicContact CG1-CD1 3.62Å; V62-Y83 HydrophobicContact CG1-CE1 3.92Å |
| 63 | P | 89.9 | Confident | 91.1 | Very high | 59 Ų | 59 | 61.2 Ų | 61.2 | 38% | 0.383 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.5 | -35.5 | 178.4 | 25.2 | -35 | 0 | 0 | 0 | 112 | A59 E60 I66 A67 Y83 | A59-P63 VanDerWaalsContact O-CD 3.23Å; A59-P63 WeakPolarHBondContact O-CD 3.48Å; E60-P63 VanDerWaalsContact O-CD 3.28Å; E60-P63 WeakPolarHBondContact O-CD 3.32Å; E60-P63 WeakPolarHBondContact O-CG 3.3Å; P63-I66 PolarHBondContact O-N 2.81Å; P63-A67 WeakPolarHBondContact O-CB 3.44Å; P63-A67 PolarHBondContact O-N 2.88Å; P63-Y83 HydrophobicContact CB-CE1 4.31Å |
| 64 | Y | 90.9 | Very high | 91 | Very high | 127 Ų | 127 | 59.4 Ų | 59.4 | 50% | 0.498 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 177.3 | -174.2 | -112.4 | 0 | 0 | 0 | 112.1 | A32 A61 V62 I66 A67 L68 | A32-Y64 HydrophobicContact CB-CD1 3.9Å; A32-Y64 HydrophobicContact CB-CE1 4.4Å; A61-Y64 PolarHBondContact O-N 3.44Å; V62-Y64 VanDerWaalsContact C-N 3.26Å; V62-Y64 PolarHBondContact O-N 2.85Å; Y64-I66 VanDerWaalsContact C-N 3.32Å; Y64-I66 PolarHBondContact O-N 2.91Å; Y64-A67 PolarHBondContact O-N 3.48Å; Y64-L68 HydrophobicContact CE1-CD2 4Å; Y64-L68 VanDerWaalsContact O-CB 3.32Å; Y64-L68 WeakPolarHBondContact O-CB 3.19Å; Y64-L68 PolarHBondContact O-N 3.48Å |
| 65 | A | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V11 A32 Y56 A61 V62 L68 L69 L81 | V11-A65 HydrophobicContact CG2-CB 4.4Å; A32-A65 HydrophobicContact CB-CB 3.5Å; A32-A65 VanDerWaalsContact CB-CB 3.5Å; Y56-A65 HydrophobicContact CE2-CB 3.95Å; Y56-A65 VanDerWaalsContact OH-CB 3.3Å; Y56-A65 WeakPolarHBondContact OH-CB 3.41Å; A61-A65 WeakPolarHBondContact O-CB 3.23Å; A61-A65 PolarHBondContact O-N 3.19Å; V62-A65 PolarHBondContact O-N 3.17Å; A65-L68 PolarHBondContact O-N 2.68Å; A65-L69 WeakPolarHBondContact O-CB 3.33Å; A65-L69 PolarHBondContact O-N 3.18Å; A65-L81 WeakPolarHBondContact O-CD1 3.47Å |
| 66 | I | 92.2 | Very high | 90.7 | Very high | 21 Ų | 21 | 64.7 Ų | 64.7 | 11% | 0.108 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.7 | -43 | 177.8 | -65.9 | 166.4 | 0 | 0 | 0 | 110.6 | V11 V62 P63 Y64 L68 N70 L81 Y83 | V11-I66 HydrophobicContact CG1-CG1 4.35Å; V11-I66 HydrophobicContact CG2-CG1 4.49Å; V62-I66 HydrophobicContact CG1-CD1 4.05Å; V62-I66 WeakPolarHBondContact O-CG1 3.22Å; V62-I66 PolarHBondContact O-N 3.28Å; V62-I66 VanDerWaalsContact O-N 3.09Å; P63-I66 PolarHBondContact O-N 2.81Å; Y64-I66 VanDerWaalsContact C-N 3.32Å; Y64-I66 PolarHBondContact O-N 2.91Å; I66-L68 VanDerWaalsContact C-N 3.34Å; I66-L68 PolarHBondContact O-N 2.73Å; I66-N70 WeakPolarHBondContact O-CB 3.38Å; I66-N70 PolarHBondContact O-N 3.49Å; I66-L81 HydrophobicContact CB-CB 4.49Å; I66-L81 HydrophobicContact CG1-CB 4.05Å; I66-L81 HydrophobicContact CG2-CB 4.48Å; I66-Y83 HydrophobicContact CD1-CD1 3.65Å; I66-Y83 HydrophobicContact CD1-CD2 3.8Å; I66-Y83 HydrophobicContact CD1-CE1 3.62Å; I66-Y83 HydrophobicContact CD1-CE2 3.77Å; I66-Y83 HydrophobicContact CD1-CG 3.73Å |
| 67 | A | 90.3 | Very high | 90.6 | Very high | 87 Ų | 87 | 69.4 Ų | 69.4 | 72% | 0.719 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.7 | -37 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P63 Y64 | P63-A67 WeakPolarHBondContact O-CB 3.44Å; P63-A67 PolarHBondContact O-N 2.88Å; Y64-A67 PolarHBondContact O-N 3.48Å |
| 68 | L | 91.3 | Very high | 90.8 | Very high | 83 Ų | 83 | 68.2 Ų | 68.2 | 44% | 0.435 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -84.7 | -42.3 | -173.4 | -176.5 | 64.4 | 0 | 0 | 0 | 113.8 | Y64 A65 I66 | Y64-L68 HydrophobicContact CE1-CD2 4Å; Y64-L68 VanDerWaalsContact O-CB 3.32Å; Y64-L68 WeakPolarHBondContact O-CB 3.19Å; Y64-L68 PolarHBondContact O-N 3.48Å; A65-L68 PolarHBondContact O-N 2.68Å; I66-L68 VanDerWaalsContact C-N 3.34Å; I66-L68 PolarHBondContact O-N 2.73Å |
| 69 | L | 93.1 | Very high | 91.1 | Very high | 12 Ų | 12 | 63.2 Ų | 63.2 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -109.6 | -3.1 | -165.9 | -62.9 | 172.6 | 0 | 0 | 0 | 113.8 | L28 F29 A65 G71 T72 L81 | L28-L69 HydrophobicContact CD1-CD2 3.97Å; L28-L69 HydrophobicContact CG-CD1 4.35Å; L28-L69 HydrophobicContact CG-CD2 4.17Å; F29-L69 HydrophobicContact CD1-CD1 4.32Å; F29-L69 HydrophobicContact CD2-CD1 4.33Å; F29-L69 HydrophobicContact CG-CD1 4.2Å; A65-L69 WeakPolarHBondContact O-CB 3.33Å; A65-L69 PolarHBondContact O-N 3.18Å; L69-G71 PolarHBondContact O-N 3.44Å; L69-T72 WeakPolarHBondContact O-CB 3.3Å; L69-T72 PolarHBondContact O-N 3.47Å; L69-T72 PolarHBondContact O-OG1 3.49Å; L69-L81 HydrophobicContact CB-CD1 3.56Å |
| 70 | N | 93.2 | Very high | 91.4 | Very high | 80 Ų | 80 | 68.9 Ų | 68.9 | 43% | 0.428 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | 127.6 | 178.4 | -176.2 | 42.9 | 0 | 0 | 0 | 111 | I66 L81 | I66-N70 WeakPolarHBondContact O-CB 3.38Å; I66-N70 PolarHBondContact O-N 3.49Å; N70-L81 HydrophobicContact CB-CB 4.14Å; N70-L81 HydrophobicContact CB-CD1 4.48Å; N70-L81 HydrophobicContact CB-CG 4.24Å; N70-L81 PolarHBondContact OD1-N 3.47Å |
| 71 | G | 92 | Very high | 91.7 | Very high | 28 Ų | 28 | 61.2 Ų | 61.2 | 29% | 0.289 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.7 | 1.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L69 Q78 I79 | L69-G71 PolarHBondContact O-N 3.44Å; G71-Q78 PolarHBondContact O-NE2 3.25Å; G71-I79 WeakPolarHBondContact CA-O 3.35Å; G71-I79 PolarHBondContact N-O 2.83Å |
| 72 | T | 92.1 | Very high | 91.7 | Very high | 48 Ų | 48 | 64.7 Ų | 64.7 | 29% | 0.294 | 33% | 0.332 | S | S | . | . | trans | -64.4 | 140.1 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | L69 Q78 I79 | L69-T72 WeakPolarHBondContact O-CB 3.3Å; L69-T72 PolarHBondContact O-N 3.47Å; L69-T72 PolarHBondContact O-OG1 3.49Å; T72-Q78 WeakPolarHBondContact O-CA 3.5Å; T72-I79 PolarHBondContact O-N 3.49Å | ||
| 73 | W | 91.9 | Very high | 91.7 | Very high | 177 Ų | 177 | 69.7 Ų | 69.7 | 67% | 0.67 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 122.4 | 178.1 | -69.4 | 79.2 | 0 | 0 | 0 | 110.8 | Q78 | W73-Q78 HydrophobicContact CD2-CG 3.62Å; W73-Q78 VanDerWaalsContact CE2-CG 3.43Å; W73-Q78 HydrophobicContact CE3-CG 4.11Å; W73-Q78 HydrophobicContact CG-CG 4.01Å; W73-Q78 HydrophobicContact CH2-CG 4.25Å; W73-Q78 HydrophobicContact CZ2-CG 3.77Å; W73-Q78 HydrophobicContact CZ3-CG 4.4Å |
| 74 | L | 90.9 | Very high | 91.1 | Very high | 18 Ų | 18 | 67.1 Ų | 67.1 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 117.8 | 178.8 | -166.6 | 120.1 | 0 | 0 | 0 | 108.9 | L16 A20 I24 L28 G76 R77 I79 | L16-L74 HydrophobicContact CD2-CD2 4.37Å; A20-L74 HydrophobicContact CB-CD2 3.62Å; I24-L74 HydrophobicContact CG2-CD1 4.43Å; L28-L74 HydrophobicContact CD2-CD1 3.78Å; L74-G76 VanDerWaalsContact C-N 3.28Å; L74-G76 PolarHBondContact O-N 3.26Å; L74-R77 PolarHBondContact N-O 3.48Å; L74-R77 PolarHBondContact O-N 3.03Å; L74-I79 HydrophobicContact CB-CG2 3.76Å; L74-I79 HydrophobicContact CD2-CG2 4.37Å |
| 75 | F | 89.6 | Confident | 90 | Very high | 107 Ų | 107 | 68 Ų | 68 | 47% | 0.469 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 44 | -176.4 | -60.3 | -73.1 | 0 | 0 | 0 | 114 | S19 A20 I24 R77 | S19-F75 WeakPolarHBondContact O-CE2 3.32Å; A20-F75 HydrophobicContact CB-CD2 4.2Å; A20-F75 HydrophobicContact CB-CE2 4.24Å; I24-F75 HydrophobicContact CD1-CE2 4.01Å; I24-F75 HydrophobicContact CD1-CZ 3.63Å; I24-F75 HydrophobicContact CG2-CE2 4.4Å; F75-R77 VanDerWaalsContact C-N 3.25Å; F75-R77 PolarHBondContact O-N 3.41Å |
| 76 | G | 89.2 | Confident | 88.2 | Confident | 63 Ų | 63 | 68.2 Ų | 68.2 | 65% | 0.649 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 10.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | L74 | L74-G76 VanDerWaalsContact C-N 3.28Å; L74-G76 PolarHBondContact O-N 3.26Å |
| 77 | R | 91.8 | Very high | 86 | Confident | 100 Ų | 100 | 77.8 Ų | 77.8 | 38% | 0.377 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.2 | 175.4 | -62.1 | 177.3 | 75.9 | 155.4 | 2.9 | 110.2 | N15 L74 F75 | N15-R77 PolarHBondContact OD1-NE 3.04Å; N15-R77 VanDerWaalsContact OD1-NE 3.15Å; N15-R77 PolarHBondContact OD1-NH2 3.48Å; L74-R77 PolarHBondContact N-O 3.48Å; L74-R77 PolarHBondContact O-N 3.03Å; F75-R77 VanDerWaalsContact C-N 3.25Å; F75-R77 PolarHBondContact O-N 3.41Å |
| 78 | Q | 93.7 | Very high | 84 | Confident | 92 Ų | 92 | 75.7 Ų | 75.7 | 43% | 0.43 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 123.4 | 174.5 | -67.6 | -175.9 | -74.3 | 0 | 0 | 110.7 | N15 G71 T72 W73 | N15-Q78 WeakPolarHBondContact CB-O 3.49Å; N15-Q78 PolarHBondContact ND2-O 3.1Å; G71-Q78 PolarHBondContact O-NE2 3.25Å; T72-Q78 WeakPolarHBondContact O-CA 3.5Å; W73-Q78 HydrophobicContact CD2-CG 3.62Å; W73-Q78 VanDerWaalsContact CE2-CG 3.43Å; W73-Q78 HydrophobicContact CE3-CG 4.11Å; W73-Q78 HydrophobicContact CG-CG 4.01Å; W73-Q78 HydrophobicContact CH2-CG 4.25Å; W73-Q78 HydrophobicContact CZ2-CG 3.77Å; W73-Q78 HydrophobicContact CZ3-CG 4.4Å |
| 79 | I | 94.6 | Very high | 82.1 | Confident | 2 Ų | 2 | 78.6 Ų | 78.6 | 1% | 0.01 | 39% | 0.385 | C | S | . | . | trans | -75.3 | 144.2 | 177.3 | 68 | -178.7 | 0 | 0 | 0 | 110.4 | V13 L16 L28 F29 G71 T72 L74 L81 | V13-I79 HydrophobicContact CG1-CB 4.46Å; L16-I79 HydrophobicContact CD2-CG2 4.13Å; L28-I79 HydrophobicContact CD2-CD1 3.96Å; F29-I79 HydrophobicContact CE2-CD1 4.5Å; G71-I79 WeakPolarHBondContact CA-O 3.35Å; G71-I79 PolarHBondContact N-O 2.83Å; T72-I79 PolarHBondContact O-N 3.49Å; L74-I79 HydrophobicContact CB-CG2 3.76Å; L74-I79 HydrophobicContact CD2-CG2 4.37Å; I79-L81 HydrophobicContact CD1-CD2 4.25Å; I79-L81 HydrophobicContact CG1-CD2 4.38Å | ||
| 80 | R | 93.3 | Very high | 79.8 | Confident | 160 Ų | 160 | 85.9 Ų | 85.9 | 60% | 0.604 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 120.9 | 177.3 | -164.8 | 177.7 | -158.8 | -156.4 | 5.1 | 109.9 | A14 | A14-R80 HydrophobicContact CB-CB 4.16Å; A14-R80 PolarHBondContact N-O 3.05Å; A14-R80 PolarHBondContact O-N 2.94Å |
| 81 | L | 93.6 | Very high | 77.4 | Confident | 7 Ų | 7 | 86.2 Ų | 86.2 | 4% | 0.037 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 138.2 | -178.7 | -52.1 | -171.9 | 0 | 0 | 0 | 110.9 | V11 F12 V13 F29 A65 I66 L69 N70 I79 | V11-L81 HydrophobicContact CG1-CB 4.19Å; V11-L81 HydrophobicContact CG1-CD2 4.33Å; F12-L81 WeakPolarHBondContact O-CA 3.44Å; V13-L81 HydrophobicContact CB-CD2 4.09Å; V13-L81 HydrophobicContact CG1-CD2 3.7Å; V13-L81 HydrophobicContact CG2-CD2 3.88Å; F29-L81 HydrophobicContact CE1-CD1 4.02Å; F29-L81 HydrophobicContact CE1-CD2 4.08Å; F29-L81 HydrophobicContact CZ-CD1 4.01Å; F29-L81 HydrophobicContact CZ-CD2 3.55Å; F29-L81 HydrophobicContact CZ-CG 4.47Å; A65-L81 WeakPolarHBondContact O-CD1 3.47Å; I66-L81 HydrophobicContact CB-CB 4.49Å; I66-L81 HydrophobicContact CG1-CB 4.05Å; I66-L81 HydrophobicContact CG2-CB 4.48Å; L69-L81 HydrophobicContact CB-CD1 3.56Å; N70-L81 HydrophobicContact CB-CB 4.14Å; N70-L81 HydrophobicContact CB-CD1 4.48Å; N70-L81 HydrophobicContact CB-CG 4.24Å; N70-L81 PolarHBondContact OD1-N 3.47Å; I79-L81 HydrophobicContact CD1-CD2 4.25Å; I79-L81 HydrophobicContact CG1-CD2 4.38Å |
| 82 | Q | 90.6 | Very high | 75.2 | Confident | 84 Ų | 84 | 91.3 Ų | 91.3 | 39% | 0.393 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 157.9 | 175.6 | -57.2 | 179.4 | 31.6 | 0 | 0 | 109.8 | F12 | F12-Q82 HydrophobicContact CB-CB 4.34Å; F12-Q82 HydrophobicContact CD1-CB 4.12Å; F12-Q82 HydrophobicContact CD1-CG 4.35Å; F12-Q82 PolarHBondContact N-O 2.87Å; F12-Q82 PolarHBondContact O-N 2.91Å |
| 83 | Y | 88.6 | Confident | 73.1 | Confident | 108 Ų | 108 | 95.5 Ų | 95.5 | 42% | 0.424 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 143.1 | 170.1 | -62.9 | -86.4 | 0 | 0 | 0 | 110 | V62 P63 I66 P88 | V62-Y83 HydrophobicContact CG1-CD1 3.62Å; V62-Y83 HydrophobicContact CG1-CE1 3.92Å; P63-Y83 HydrophobicContact CB-CE1 4.31Å; I66-Y83 HydrophobicContact CD1-CD1 3.65Å; I66-Y83 HydrophobicContact CD1-CD2 3.8Å; I66-Y83 HydrophobicContact CD1-CE1 3.62Å; I66-Y83 HydrophobicContact CD1-CE2 3.77Å; I66-Y83 HydrophobicContact CD1-CG 3.73Å; Y83-P88 HydrophobicContact CD1-CG 4.41Å; Y83-P88 HydrophobicContact CG-CG 4.29Å |
| 84 | G | 78.8 | Confident | 70.9 | Confident | 6 Ų | 6 | 92.8 Ų | 92.8 | 6% | 0.062 | 46% | 0.46 | C | S | . | . | trans | -56.1 | 159.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T10 G86 | T10-G84 WeakPolarHBondContact O-CA 3.3Å; T10-G84 PolarHBondContact O-N 3.11Å; G84-G86 PolarHBondContact O-N 3.08Å; G84-G86 VanDerWaalsContact O-O 3.13Å | ||
| 85 | T | 66.6 | Low | 68.7 | Low | 145 Ų | 145 | 101.3 Ų | 101.3 | 89% | 0.89 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -63.8 | 10.6 | -174.2 | 45.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 86 | G | 56.2 | Low | 66.6 | Low | 4 Ų | 4 | 103.1 Ų | 103.1 | 4% | 0.041 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -83.2 | 111.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | G84 P88 | G84-G86 PolarHBondContact O-N 3.08Å; G84-G86 VanDerWaalsContact O-O 3.13Å; G86-P88 WeakPolarHBondContact O-CD 3.31Å |
| 87 | R | 46.1 | Very low | 64.3 | Low | 223 Ų | 223 | 104.7 Ų | 104.7 | 84% | 0.842 | 51% | 0.511 | S | S | * | . | trans | -50.2 | 109.6 | 172.4 | -66.1 | -179.9 | 178.8 | -171.7 | -1 | 108.1 | L89 | R87-L89 PolarHBondContact O-N 2.85Š| ||
| 88 | P | 48.1 | Very low | 62.1 | Low | 42 Ų | 42 | 104.3 Ų | 104.3 | 27% | 0.273 | 52% | 0.524 | S | S | . | . | trans | -68.7 | 111.8 | 175 | 26.6 | -29.5 | 0 | 0 | 0 | 106.6 | Y83 G86 F90 C91 | Y83-P88 HydrophobicContact CD1-CG 4.41Å; Y83-P88 HydrophobicContact CG-CG 4.29Å; G86-P88 WeakPolarHBondContact O-CD 3.31Å; P88-F90 PolarHBondContact O-N 3.28Å; P88-C91 HydrophobicContact CG-CB 3.96Å; P88-C91 PolarHBondContact O-N 2.76Å | ||
| 89 | L | 49.5 | Very low | 59.7 | Low | 144 Ų | 144 | 108.4 Ų | 108.4 | 75% | 0.754 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -56 | -17.5 | 170.4 | -70.3 | 168.7 | 0 | 0 | 0 | 111.4 | R87 | R87-L89 PolarHBondContact O-N 2.85Š|
| 90 | F | 45.9 | Very low | 57 | Low | 166 Ų | 166 | 115.7 Ų | 115.7 | 73% | 0.728 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -76.9 | -15.8 | 175.1 | -91.2 | -88.3 | 0 | 0 | 0 | 115.8 | P88 I92 I93 | P88-F90 PolarHBondContact O-N 3.28Å; F90-I92 PolarHBondContact O-N 2.8Å; F90-I93 PolarHBondContact O-N 2.89Å |
| 91 | C | 42.2 | Very low | 54.7 | Low | 86 Ų | 86 | 115 Ų | 115 | 58% | 0.581 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -73.1 | -12.1 | 177.5 | -171.2 | 0 | 0 | 0 | 0 | 112.8 | P88 | P88-C91 HydrophobicContact CG-CB 3.96Å; P88-C91 PolarHBondContact O-N 2.76Å |
| 92 | I | 47 | Very low | 52.5 | Low | 135 Ų | 135 | 119.9 Ų | 119.9 | 69% | 0.692 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -84.1 | -22.1 | 178.3 | -51.8 | 175.1 | 0 | 0 | 0 | 111.9 | F90 | F90-I92 PolarHBondContact O-N 2.8Š|
| 93 | I | 47.1 | Very low | 50.3 | Low | 136 Ų | 136 | 123.2 Ų | 123.2 | 70% | 0.697 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -16.2 | -171.8 | -54.7 | -174.3 | 0 | 0 | 0 | 113.5 | F90 K95 | F90-I93 PolarHBondContact O-N 2.89Å; I93-K95 PolarHBondContact O-N 2.72Å |
| 94 | I | 44.9 | Very low | 48.4 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 62% | 0.615 | 65% | 0.648 | S | S | * | * | trans | -104.7 | 58.3 | 174.2 | -40.7 | -169.2 | 0 | 0 | 0 | 110.9 | N96 C97 | I94-N96 VanDerWaalsContact C-N 3.34Å; I94-C97 HydrophobicContact CG2-CB 3.49Å; I94-C97 VanDerWaalsContact CG2-CB 3.49Å | ||
| 95 | K | 46.4 | Very low | 46.7 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 86% | 0.857 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -98.9 | 20.4 | 155.4 | -82 | -156.7 | 175.3 | -172.3 | 0 | 112.3 | I93 | I93-K95 PolarHBondContact O-N 2.72Š|
| 96 | N | 44.3 | Very low | 45.5 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | trans | -149.5 | 51.2 | 175.3 | -139.1 | -24.5 | 0 | 0 | 0 | 112.2 | I94 | I94-N96 VanDerWaalsContact C-N 3.34Š| ||
| 97 | C | 41.1 | Very low | 45 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 64% | 0.642 | 73% | 0.731 | S | S | * | * | trans | -121.4 | 90.9 | 161.7 | -153.4 | 0 | 0 | 0 | 0 | 106.7 | I94 F99 | I94-C97 HydrophobicContact CG2-CB 3.49Å; I94-C97 VanDerWaalsContact CG2-CB 3.49Å; C97-F99 PolarHBondContact O-N 3.11Å | ||
| 98 | S | 45.3 | Very low | 44.9 | Very low | 93 Ų | 93 | 139.2 Ų | 139.2 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | trans | -59.6 | 84.1 | 166.6 | -60.2 | 0 | 0 | 0 | 0 | 108.4 | Q100 | S98-Q100 PolarHBondContact O-N 3.2Š| ||
| 99 | F | 44.3 | Very low | 44.7 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | trans | -78.1 | 74.8 | 160.8 | -154.5 | -105.1 | 0 | 0 | 0 | 106.5 | C97 L101 | C97-F99 PolarHBondContact O-N 3.11Å; F99-L101 VanDerWaalsContact C-N 3.33Å; F99-L101 HydrophobicContact CD1-CD1 3.79Å; F99-L101 HydrophobicContact CE1-CD1 3.28Å; F99-L101 HydrophobicContact CZ-CD1 4.2Å; F99-L101 PolarHBondContact O-N 3.23Å; F99-L101 VanDerWaalsContact O-N 3.09Å | ||
| 100 | Q | 38.1 | Very low | 44.5 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 72% | 0.72 | 75% | 0.75 | S | S | * | * | trans | -77.4 | 93.4 | 173 | -137.5 | 155 | -36.9 | 0 | 0 | 106.5 | S98 T102 | S98-Q100 PolarHBondContact O-N 3.2Å; Q100-T102 PolarHBondContact O-N 3.33Å | ||
| 101 | L | 43.6 | Very low | 44.4 | Very low | 146 Ų | 146 | 143.3 Ų | 143.3 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | trans | -71.8 | 99.4 | 161.5 | -134.3 | 93.3 | 0 | 0 | 0 | 107 | F99 | F99-L101 VanDerWaalsContact C-N 3.33Å; F99-L101 HydrophobicContact CD1-CD1 3.79Å; F99-L101 HydrophobicContact CE1-CD1 3.28Å; F99-L101 HydrophobicContact CZ-CD1 4.2Å; F99-L101 PolarHBondContact O-N 3.23Å; F99-L101 VanDerWaalsContact O-N 3.09Å | ||
| 102 | T | 47.4 | Very low | 44.5 | Very low | 110 Ų | 110 | 147.1 Ų | 147.1 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -147.4 | 132.4 | 161.4 | 52.3 | 0 | 0 | 0 | 0 | 104.4 | Q100 | Q100-T102 PolarHBondContact O-N 3.33Š| ||
| 103 | H | 44.2 | Very low | 44.3 | Very low | 153 Ų | 153 | 148 Ų | 148 | 71% | 0.708 | 77% | 0.768 | S | S | * | * | cis | -169 | 147.1 | -0.3 | -176.7 | -98.6 | 0 | 0 | 0 | 102.2 | D105 | H103-D105 IonicContact CE1-OD2 2.81Å; H103-D105 PolarHBondContact CE1-OD2 2.98Å; H103-D105 IonicContact ND1-OD2 2.73Å; H103-D105 PolarHBondContact ND1-OD2 2.9Å; H103-D105 PolarHBondContact O-N 3.35Å | ||
| 104 | L | 49.8 | Very low | 44.1 | Very low | 163 Ų | 163 | 148.9 Ų | 148.9 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -67 | 107.6 | 165 | -175.6 | 83.5 | 0 | 0 | 0 | 107.4 | ||||
| 105 | D | 41.9 | Very low | 44.1 | Very low | 131 Ų | 131 | 151.3 Ų | 151.3 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | trans | -166.3 | 85.9 | 157.6 | -83.6 | -46 | 0 | 0 | 0 | 109.4 | H103 | H103-D105 IonicContact CE1-OD2 2.81Å; H103-D105 PolarHBondContact CE1-OD2 2.98Å; H103-D105 IonicContact ND1-OD2 2.73Å; H103-D105 PolarHBondContact ND1-OD2 2.9Å; H103-D105 PolarHBondContact O-N 3.35Å | ||
| 106 | L | 42.4 | Very low | 43.8 | Very low | 250 Ų | 250 | 147.2 Ų | 147.2 | 100% | 1.309 | 78% | 0.78 | S | S | * | * | 172.8 | 0 | 111.2 | -142.5 | 86.6 | 0 | 0 | 0 | 109.8 |
Retrieved 106 of 106 residues in 129.6 ms
(Link to these results)