| 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 | 37.1 | Very low | 65.1 | Low | 249 Ų | 249 | 81.9 Ų | 81.9 | 100% | 1.227 | 52% | 0.516 | S | S | * | . | 0 | 80.3 | 0 | -66.5 | -166.9 | 177.4 | 0 | 0 | 110.1 | G3 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.38Å | |||
| 2 | S | 36.3 | Very low | 67.6 | Low | 112 Ų | 112 | 75.1 Ų | 75.1 | 78% | 0.783 | 47% | 0.473 | S | S | * | . | trans | -86.8 | 81.2 | 170 | 42.1 | 0 | 0 | 0 | 0 | 108.1 | G4 | S2-G4 PolarHBondContact O-N 3.15Š| ||
| 3 | G | 47.1 | Very low | 69.7 | Low | 56 Ų | 56 | 74.9 Ų | 74.9 | 58% | 0.577 | 46% | 0.458 | S | S | * | . | trans | -50.5 | 117 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | M1 L5 | M1-G3 VanDerWaalsContact C-N 3.35Å; M1-G3 PolarHBondContact O-N 3.38Å; G3-L5 WeakPolarHBondContact O-CD1 3.37Å; G3-L5 PolarHBondContact O-N 2.88Å | ||
| 4 | G | 54.4 | Low | 71.4 | Confident | 77 Ų | 77 | 69.6 Ų | 69.6 | 79% | 0.794 | 43% | 0.426 | S | S | * | . | trans | -59 | 102.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | S2 A6 | S2-G4 PolarHBondContact O-N 3.15Å; G4-A6 PolarHBondContact O-N 2.75Å | ||
| 5 | L | 57.1 | Low | 73 | Confident | 90 Ų | 90 | 66.3 Ų | 66.3 | 47% | 0.471 | 41% | 0.407 | S | S | . | . | trans | -70.1 | 102.8 | 174.2 | -75.3 | 110.2 | 0 | 0 | 0 | 106.6 | G3 K38 L57 | G3-L5 WeakPolarHBondContact O-CD1 3.37Å; G3-L5 PolarHBondContact O-N 2.88Å; L5-K38 HydrophobicContact CD1-CD 3.55Å; L5-L57 HydrophobicContact CD2-CD2 3.17Å; L5-L57 HydrophobicContact CD2-CG 4.29Å | ||
| 6 | A | 65.6 | Low | 74.3 | Confident | 46 Ų | 46 | 67.7 Ų | 67.7 | 38% | 0.38 | 41% | 0.411 | S | S | . | . | trans | -56.2 | 128.5 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | G4 S8 A92 | G4-A6 PolarHBondContact O-N 2.75Å; A6-S8 PolarHBondContact O-N 3.19Å; A6-A92 HydrophobicContact CB-CB 4.11Å | ||
| 7 | P | 67.8 | Low | 75.4 | Confident | 34 Ų | 34 | 64.2 Ų | 64.2 | 22% | 0.221 | 39% | 0.389 | C | S | . | . | trans | -57.3 | 125.7 | 174.9 | 24.5 | -32.2 | 0 | 0 | 0 | 108.2 | T11 A86 D88 | P7-T11 HydrophobicContact CB-CG2 4.43Å; P7-A86 HydrophobicContact CB-CB 3.9Å; P7-D88 HydrophobicContact CG-CB 3.75Å | ||
| 8 | S | 80.4 | Confident | 76.3 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 36% | 0.357 | 37% | 0.371 | S | S | . | . | trans | -113.8 | 175.8 | -178.2 | 65.4 | 0 | 0 | 0 | 0 | 110 | A6 S10 T11 | A6-S8 PolarHBondContact O-N 3.19Å; S8-S10 PolarHBondContact O-N 3.45Å; S8-S10 PolarHBondContact OG-N 2.97Å; S8-T11 PolarHBondContact N-OG1 3.46Å; S8-T11 VanDerWaalsContact N-OG1 3.12Å; S8-T11 WeakPolarHBondContact O-CB 2.76Å; S8-T11 PolarHBondContact O-N 3.4Å; S8-T11 PolarHBondContact O-OG1 2.97Å; S8-T11 PolarHBondContact OG-OG1 3.07Å | ||
| 9 | K | 85.6 | Confident | 77.1 | Confident | 163 Ų | 163 | 64.5 Ų | 64.5 | 71% | 0.709 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -17.4 | 174.5 | -60.5 | -178.5 | -178 | -177.8 | 0 | 113.4 | ||
| 10 | S | 91.6 | Very high | 77.7 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 10% | 0.098 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 2.3 | 175.1 | -43.5 | 0 | 0 | 0 | 0 | 113.5 | S8 F58 K61 | S8-S10 PolarHBondContact O-N 3.45Å; S8-S10 PolarHBondContact OG-N 2.97Å; S10-F58 WeakPolarHBondContact CB-O 3.43Å; S10-F58 PolarHBondContact O-N 3.25Å; S10-K61 VanDerWaalsContact OG-CG 3.28Å; S10-K61 WeakPolarHBondContact OG-CG 3.24Å |
| 11 | T | 93 | Very high | 78.3 | Confident | 9 Ų | 9 | 63.4 Ų | 63.4 | 6% | 0.055 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 128 | 179.8 | -49.4 | 0 | 0 | 0 | 0 | 110 | P7 S8 F55 I56 L57 A86 | P7-T11 HydrophobicContact CB-CG2 4.43Å; S8-T11 PolarHBondContact N-OG1 3.46Å; S8-T11 VanDerWaalsContact N-OG1 3.12Å; S8-T11 WeakPolarHBondContact O-CB 2.76Å; S8-T11 PolarHBondContact O-N 3.4Å; S8-T11 PolarHBondContact O-OG1 2.97Å; S8-T11 PolarHBondContact OG-OG1 3.07Å; T11-F55 HydrophobicContact CG2-CB 4.27Å; T11-F55 HydrophobicContact CG2-CD1 4.3Å; T11-I56 CarbonylContact C-O 3.56Å; T11-I56 WeakPolarHBondContact CA-O 3.4Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.5Å; T11-A86 HydrophobicContact CG2-CB 3.84Å; T11-A86 VanDerWaalsContact O-CB 3.32Å; T11-A86 WeakPolarHBondContact O-CB 3.17Å; T11-A86 PolarHBondContact O-N 3.48Å |
| 12 | V | 94.8 | Very high | 80.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.5 | 176.7 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | V14 F55 I56 F58 A64 C67 T68 A83 | V12-V14 HydrophobicContact CG1-CG2 3.86Å; V12-F55 WeakPolarHBondContact O-CA 3.16Å; V12-I56 PolarHBondContact N-O 2.96Å; V12-I56 PolarHBondContact O-N 2.85Å; V12-F58 HydrophobicContact CB-CE2 4.16Å; V12-F58 HydrophobicContact CG2-CD2 3.81Å; V12-F58 HydrophobicContact CG2-CE2 3.6Å; V12-A64 HydrophobicContact CG2-CB 3.62Å; V12-C67 HydrophobicContact CG2-CB 4.43Å; V12-T68 HydrophobicContact CB-CG2 4.41Å; V12-T68 HydrophobicContact CG1-CG2 3.69Å; V12-T68 HydrophobicContact CG2-CG2 3.97Å; V12-A83 HydrophobicContact CG1-CB 4.39Å |
| 13 | Y | 94.7 | Very high | 83.6 | Confident | 73 Ų | 73 | 53.1 Ų | 53.1 | 29% | 0.286 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 124.4 | 168.8 | 172.9 | -100.3 | 0 | 0 | 0 | 109.1 | V53 F55 A83 S84 | Y13-V53 HydrophobicContact CD2-CG1 3.99Å; Y13-V53 HydrophobicContact CE2-CG1 3.25Å; Y13-F55 HydrophobicContact CD2-CD1 4.25Å; Y13-F55 AromaticContact CD2-CE1 3.6Å; Y13-F55 HydrophobicContact CD2-CE1 3.6Å; Y13-F55 HydrophobicContact CD2-CE2 4.46Å; Y13-F55 AromaticContact CD2-CZ 3.71Å; Y13-F55 HydrophobicContact CD2-CZ 3.71Å; Y13-F55 HydrophobicContact CE2-CE1 4.43Å; Y13-F55 HydrophobicContact CE2-CZ 4.11Å; Y13-F55 HydrophobicContact CG-CE1 4.45Å; Y13-A83 WeakPolarHBondContact O-CA 3.3Å; Y13-S84 PolarHBondContact N-O 2.91Å; Y13-S84 PolarHBondContact O-N 3.23Å |
| 14 | V | 94.8 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.7 | 176.7 | -168.5 | 0 | 0 | 0 | 0 | 109 | V12 L17 F30 V53 A54 I56 I81 K82 | V12-V14 HydrophobicContact CG1-CG2 3.86Å; V14-L17 HydrophobicContact CB-CD1 4.07Å; V14-L17 HydrophobicContact CB-CG 4.46Å; V14-L17 HydrophobicContact CG1-CD1 3.92Å; V14-L17 HydrophobicContact CG1-CD2 3.77Å; V14-L17 HydrophobicContact CG1-CG 3.8Å; V14-F30 HydrophobicContact CG1-CZ 4.18Å; V14-F30 HydrophobicContact CG2-CE1 3.87Å; V14-F30 HydrophobicContact CG2-CZ 3.77Å; V14-V53 WeakPolarHBondContact O-CA 3.46Å; V14-A54 PolarHBondContact N-O 3.39Å; V14-A54 PolarHBondContact O-N 2.95Å; V14-I56 HydrophobicContact CG2-CD1 4.15Å; V14-I81 HydrophobicContact CG1-CD1 4.17Å; V14-K82 WeakPolarHBondContact CA-O 3.47Å |
| 15 | S | 94.1 | Very high | 87.7 | Confident | 21 Ų | 21 | 53.5 Ų | 53.5 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 162.2 | -178.1 | 58.4 | 0 | 0 | 0 | 0 | 112 | L17 K82 | S15-L17 VanDerWaalsContact C-N 3.28Å; S15-L17 PolarHBondContact O-N 2.93Å; S15-K82 PolarHBondContact N-O 2.96Å; S15-K82 PolarHBondContact O-N 3.35Å; S15-K82 VanDerWaalsContact O-N 3.11Å; S15-K82 WeakPolarHBondContact OG-CB 3.48Å; S15-K82 PolarHBondContact OG-O 3.31Å |
| 16 | N | 93.9 | Very high | 89.4 | Confident | 88 Ų | 88 | 49.3 Ų | 49.3 | 47% | 0.471 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 63.1 | 30.9 | -175.2 | -157.2 | 40.4 | 0 | 0 | 0 | 113.9 | G52 V80 | N16-G52 PolarHBondContact N-O 2.9Å; N16-G52 VanDerWaalsContact N-O 3.12Å; N16-V80 PolarHBondContact ND2-O 2.94Å |
| 17 | L | 93.4 | Very high | 90.8 | Very high | 8 Ų | 8 | 52.3 Ų | 52.3 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | trans | -71.3 | 144.4 | 175.4 | -70.8 | 168.2 | 0 | 0 | 0 | 111.1 | V14 S15 L21 L26 G52 A54 I81 | V14-L17 HydrophobicContact CB-CD1 4.07Å; V14-L17 HydrophobicContact CB-CG 4.46Å; V14-L17 HydrophobicContact CG1-CD1 3.92Å; V14-L17 HydrophobicContact CG1-CD2 3.77Å; V14-L17 HydrophobicContact CG1-CG 3.8Å; S15-L17 VanDerWaalsContact C-N 3.28Å; S15-L17 PolarHBondContact O-N 2.93Å; L17-L21 HydrophobicContact CD2-CD1 4.14Å; L17-L26 HydrophobicContact CD1-CD1 4.28Å; L17-L26 HydrophobicContact CD1-CD2 4.02Å; L17-L26 HydrophobicContact CD2-CD2 4.13Å; L17-G52 PolarHBondContact N-O 3.39Å; L17-G52 WeakPolarHBondContact O-CA 3.3Å; L17-A54 HydrophobicContact CD1-CB 3.56Å; L17-I81 HydrophobicContact CD2-CD1 4.48Å; L17-I81 HydrophobicContact CD2-CG2 4.05Å | ||
| 18 | P | 91.8 | Very high | 92.1 | Very high | 10 Ų | 10 | 58.5 Ų | 58.5 | 7% | 0.065 | 29% | 0.292 | C | S | . | . | trans | -63.6 | 140.2 | 170.7 | 27.9 | -35.5 | 0 | 0 | 0 | 111.4 | S20 L21 F77 | P18-S20 PolarHBondContact O-N 3.43Å; P18-L21 HydrophobicContact CG-CD1 3.49Å; P18-L21 VanDerWaalsContact CG-CD1 3.49Å; P18-L21 HydrophobicContact CG-CG 3.77Å; P18-L21 PolarHBondContact O-N 3.08Å; P18-F77 HydrophobicContact CG-CB 4.16Å; P18-F77 HydrophobicContact CG-CD2 3.93Å; P18-F77 HydrophobicContact CG-CG 4.36Å | ||
| 19 | F | 90.9 | Very high | 92.7 | Very high | 125 Ų | 125 | 58 Ų | 58 | 55% | 0.548 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.2 | -175.8 | -54.9 | -63.4 | 0 | 0 | 0 | 113.9 | L21 S50 | F19-L21 VanDerWaalsContact C-N 3.3Å; F19-S50 WeakPolarHBondContact CD1-O 3.4Å; F19-S50 WeakPolarHBondContact CE1-O 3.35Å |
| 20 | S | 89.9 | Confident | 93 | Very high | 92 Ų | 92 | 50.3 Ų | 50.3 | 64% | 0.643 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.4 | 176.1 | 50.1 | 0 | 0 | 0 | 0 | 113.4 | P18 | P18-S20 PolarHBondContact O-N 3.43Š|
| 21 | L | 90.2 | Very high | 93.2 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | trans | -73.9 | 130.8 | -177 | -76.1 | 173.8 | 0 | 0 | 0 | 112.1 | L17 P18 F19 D25 L26 I29 F77 | L17-L21 HydrophobicContact CD2-CD1 4.14Å; P18-L21 HydrophobicContact CG-CD1 3.49Å; P18-L21 VanDerWaalsContact CG-CD1 3.49Å; P18-L21 HydrophobicContact CG-CG 3.77Å; P18-L21 PolarHBondContact O-N 3.08Å; F19-L21 VanDerWaalsContact C-N 3.3Å; L21-D25 HydrophobicContact CD2-CB 3.59Å; L21-L26 HydrophobicContact CB-CD2 4.48Å; L21-L26 HydrophobicContact CD1-CD2 4.02Å; L21-I29 HydrophobicContact CD2-CD1 4.23Å; L21-F77 HydrophobicContact CD1-CD2 4.34Å; L21-F77 HydrophobicContact CD1-CE2 4.22Å; L21-F77 HydrophobicContact CD2-CD2 4.44Å; L21-F77 HydrophobicContact CD2-CE2 3.74Å; L21-F77 HydrophobicContact CD2-CZ 4.22Å; L21-F77 HydrophobicContact CG-CE2 4.3Å | ||
| 22 | T | 92.1 | Very high | 93.2 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | trans | -94.6 | 168.7 | 175.2 | 72 | 0 | 0 | 0 | 0 | 111.5 | N24 D25 L26 | T22-N24 PolarHBondContact O-N 3.31Å; T22-N24 PolarHBondContact OG1-N 3.49Å; T22-D25 WeakPolarHBondContact CB-OD2 3.47Å; T22-D25 PolarHBondContact N-OD2 3.43Å; T22-D25 PolarHBondContact O-N 3.31Å; T22-D25 VanDerWaalsContact OG1-CG 3.23Å; T22-D25 PolarHBondContact OG1-N 3Å; T22-D25 PolarHBondContact OG1-OD2 3.32Å; T22-L26 WeakPolarHBondContact O-CG 2.96Å; T22-L26 PolarHBondContact O-N 3.4Å | ||
| 23 | N | 92.4 | Very high | 93.1 | Very high | 73 Ų | 73 | 63 Ų | 63 | 39% | 0.39 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.1 | -32.3 | 175.1 | -70.1 | -50.6 | 0 | 0 | 0 | 112.2 | Y27 V39 I41 | N23-Y27 PolarHBondContact O-N 3.39Å; N23-V39 HydrophobicContact CB-CG1 4.48Å; N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 VanDerWaalsContact OD1-CD1 3.25Å; N23-I41 WeakPolarHBondContact OD1-CD1 3.48Å; N23-I41 WeakPolarHBondContact OD1-CG1 3.46Å; N23-I41 PolarHBondContact OD1-N 2.85Å |
| 24 | N | 93.9 | Very high | 93.1 | Very high | 86 Ų | 86 | 60.3 Ų | 60.3 | 46% | 0.46 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -70.9 | -42.1 | -179.7 | -164.4 | -20.1 | 0 | 0 | 0 | 111 | T22 L26 Y27 R28 | T22-N24 PolarHBondContact O-N 3.31Å; T22-N24 PolarHBondContact OG1-N 3.49Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-L26 PolarHBondContact O-N 2.84Å; N24-Y27 WeakPolarHBondContact O-CB 3.47Å; N24-Y27 PolarHBondContact O-N 3.07Å; N24-Y27 VanDerWaalsContact O-N 3.15Å; N24-R28 WeakPolarHBondContact O-CG 3.37Å; N24-R28 PolarHBondContact O-N 2.93Å; N24-R28 PolarHBondContact OD1-NE 2.95Å |
| 25 | D | 93.4 | Very high | 93.1 | Very high | 56 Ų | 56 | 67.6 Ų | 67.6 | 30% | 0.299 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 178.6 | -52.9 | -43.2 | 0 | 0 | 0 | 111.2 | L21 T22 Y27 R28 I29 | L21-D25 HydrophobicContact CD2-CB 3.59Å; T22-D25 WeakPolarHBondContact CB-OD2 3.47Å; T22-D25 PolarHBondContact N-OD2 3.43Å; T22-D25 PolarHBondContact O-N 3.31Å; T22-D25 VanDerWaalsContact OG1-CG 3.23Å; T22-D25 PolarHBondContact OG1-N 3Å; T22-D25 PolarHBondContact OG1-OD2 3.32Å; D25-Y27 VanDerWaalsContact C-N 3.33Å; D25-Y27 PolarHBondContact O-N 3.02Å; D25-R28 PolarHBondContact O-N 3.28Å; D25-I29 WeakPolarHBondContact O-CD1 3.44Å; D25-I29 VanDerWaalsContact O-CG1 3.24Å; D25-I29 WeakPolarHBondContact O-CG1 3.49Å; D25-I29 PolarHBondContact O-N 3.45Å |
| 26 | L | 93.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 67.1 Ų | 67.1 | 1% | 0.005 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.2 | -42.8 | 173.9 | -65.8 | 177.8 | 0 | 0 | 0 | 111 | L17 L21 T22 N24 R28 I29 F30 V39 I41 A54 | L17-L26 HydrophobicContact CD1-CD1 4.28Å; L17-L26 HydrophobicContact CD1-CD2 4.02Å; L17-L26 HydrophobicContact CD2-CD2 4.13Å; L21-L26 HydrophobicContact CB-CD2 4.48Å; L21-L26 HydrophobicContact CD1-CD2 4.02Å; T22-L26 WeakPolarHBondContact O-CG 2.96Å; T22-L26 PolarHBondContact O-N 3.4Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-L26 PolarHBondContact O-N 2.84Å; L26-R28 VanDerWaalsContact C-N 3.31Å; L26-R28 PolarHBondContact O-N 2.97Å; L26-I29 PolarHBondContact O-N 3.43Å; L26-F30 HydrophobicContact CB-CD2 4.31Å; L26-F30 HydrophobicContact CD2-CD2 4.25Å; L26-F30 HydrophobicContact CD2-CE2 3.72Å; L26-F30 VanDerWaalsContact O-CB 3.31Å; L26-F30 WeakPolarHBondContact O-CB 3.14Å; L26-F30 WeakPolarHBondContact O-CD2 3.42Å; L26-F30 PolarHBondContact O-N 2.93Å; L26-V39 HydrophobicContact CB-CG1 3.86Å; L26-V39 HydrophobicContact CD1-CG1 3.87Å; L26-I41 HydrophobicContact CD1-CD1 3.75Å; L26-I41 HydrophobicContact CD1-CG1 3.57Å; L26-A54 HydrophobicContact CD1-CB 3.72Å |
| 27 | Y | 94.9 | Very high | 93.1 | Very high | 110 Ų | 110 | 66.8 Ų | 66.8 | 43% | 0.431 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.4 | -47.2 | 175.6 | -174.2 | -89.7 | 0 | 0 | 0 | 111.5 | N23 N24 D25 S31 V36 V39 | N23-Y27 PolarHBondContact O-N 3.39Å; N24-Y27 WeakPolarHBondContact O-CB 3.47Å; N24-Y27 PolarHBondContact O-N 3.07Å; N24-Y27 VanDerWaalsContact O-N 3.15Å; D25-Y27 VanDerWaalsContact C-N 3.33Å; D25-Y27 PolarHBondContact O-N 3.02Å; Y27-S31 WeakPolarHBondContact O-CB 3.49Å; Y27-S31 PolarHBondContact O-N 3.32Å; Y27-V36 HydrophobicContact CD2-CB 3.84Å; Y27-V36 HydrophobicContact CD2-CG1 3.73Å; Y27-V36 HydrophobicContact CE2-CB 3.7Å; Y27-V36 HydrophobicContact CE2-CG1 3.96Å; Y27-V36 WeakPolarHBondContact CE2-O 3.23Å; Y27-V39 HydrophobicContact CD2-CG2 4.36Å |
| 28 | R | 94.3 | Very high | 93 | Very high | 164 Ų | 164 | 70.4 Ų | 70.4 | 62% | 0.619 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 179.9 | -66.3 | 173.8 | -175.1 | -151 | -4.4 | 113.3 | N24 D25 L26 | N24-R28 WeakPolarHBondContact O-CG 3.37Å; N24-R28 PolarHBondContact O-N 2.93Å; N24-R28 PolarHBondContact OD1-NE 2.95Å; D25-R28 PolarHBondContact O-N 3.28Å; L26-R28 VanDerWaalsContact C-N 3.31Å; L26-R28 PolarHBondContact O-N 2.97Å |
| 29 | I | 92.9 | Very high | 93 | Very high | 41 Ų | 41 | 71 Ų | 71 | 21% | 0.21 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -65.1 | -44.9 | -179.4 | -68.2 | 164.1 | 0 | 0 | 0 | 110.4 | L21 D25 L26 | L21-I29 HydrophobicContact CD2-CD1 4.23Å; D25-I29 WeakPolarHBondContact O-CD1 3.44Å; D25-I29 VanDerWaalsContact O-CG1 3.24Å; D25-I29 WeakPolarHBondContact O-CG1 3.49Å; D25-I29 PolarHBondContact O-N 3.45Å; L26-I29 PolarHBondContact O-N 3.43Å |
| 30 | F | 93.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -86.1 | -18.8 | -172.5 | -72.6 | -92.8 | 0 | 0 | 0 | 113.3 | V14 L26 K32 Y33 V36 I56 F58 C67 I71 | V14-F30 HydrophobicContact CG1-CZ 4.18Å; V14-F30 HydrophobicContact CG2-CE1 3.87Å; V14-F30 HydrophobicContact CG2-CZ 3.77Å; L26-F30 HydrophobicContact CB-CD2 4.31Å; L26-F30 HydrophobicContact CD2-CD2 4.25Å; L26-F30 HydrophobicContact CD2-CE2 3.72Å; L26-F30 VanDerWaalsContact O-CB 3.31Å; L26-F30 WeakPolarHBondContact O-CB 3.14Å; L26-F30 WeakPolarHBondContact O-CD2 3.42Å; L26-F30 PolarHBondContact O-N 2.93Å; F30-K32 PolarHBondContact O-N 3.28Å; F30-K32 VanDerWaalsContact O-N 3.1Å; F30-Y33 PolarHBondContact O-N 3.43Å; F30-Y33 VanDerWaalsContact O-N 3.11Å; F30-V36 HydrophobicContact CB-CG2 4.22Å; F30-I56 HydrophobicContact CB-CD1 4.03Å; F30-I56 HydrophobicContact CB-CG2 4.48Å; F30-I56 HydrophobicContact CD1-CD1 3.49Å; F30-I56 VanDerWaalsContact CD1-CD1 3.49Å; F30-I56 HydrophobicContact CD2-CD1 3.37Å; F30-I56 HydrophobicContact CE1-CD1 3.65Å; F30-I56 HydrophobicContact CE2-CD1 3.57Å; F30-I56 HydrophobicContact CG-CD1 3.34Å; F30-I56 HydrophobicContact CZ-CD1 3.71Å; F30-F58 HydrophobicContact CB-CZ 4.16Å; F30-F58 HydrophobicContact CD1-CZ 4.36Å; F30-C67 WeakPolarHBondContact CD1-SG 3.4Å; F30-I71 HydrophobicContact CD1-CD1 3.53Å; F30-I71 HydrophobicContact CE1-CD1 3.12Å; F30-I71 HydrophobicContact CE1-CG1 4.47Å; F30-I71 HydrophobicContact CE1-CG2 4.42Å; F30-I71 HydrophobicContact CG-CD1 4.45Å; F30-I71 HydrophobicContact CZ-CD1 3.74Å |
| 31 | S | 94.4 | Very high | 93.2 | Very high | 57 Ų | 57 | 64.9 Ų | 64.9 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.5 | 172.8 | -174 | 0 | 0 | 0 | 0 | 113.5 | Y27 Y33 G34 | Y27-S31 WeakPolarHBondContact O-CB 3.49Å; Y27-S31 PolarHBondContact O-N 3.32Å; S31-Y33 VanDerWaalsContact C-N 3.26Å; S31-Y33 PolarHBondContact O-N 3.33Å; S31-G34 WeakPolarHBondContact CA-O 3.24Å |
| 32 | K | 94.2 | Very high | 93.3 | Very high | 176 Ų | 176 | 68.6 Ų | 68.6 | 77% | 0.765 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -23.8 | 176.6 | -62.1 | -177.5 | -179.3 | -174.8 | 0 | 113.5 | F30 | F30-K32 PolarHBondContact O-N 3.28Å; F30-K32 VanDerWaalsContact O-N 3.1Å |
| 33 | Y | 93.1 | Very high | 93.3 | Very high | 56 Ų | 56 | 71 Ų | 71 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -12.1 | -176.2 | -55.2 | -81.3 | 0 | 0 | 0 | 112.7 | F30 S31 C67 A70 I71 | F30-Y33 PolarHBondContact O-N 3.43Å; F30-Y33 VanDerWaalsContact O-N 3.11Å; S31-Y33 VanDerWaalsContact C-N 3.26Å; S31-Y33 PolarHBondContact O-N 3.33Å; Y33-C67 HydrophobicContact CG-CB 4.26Å; Y33-A70 HydrophobicContact CD1-CB 3.92Å; Y33-A70 HydrophobicContact CE1-CB 3.41Å; Y33-A70 VanDerWaalsContact CE1-CB 3.41Å; Y33-I71 HydrophobicContact CD2-CD1 3.98Å; Y33-I71 HydrophobicContact CE1-CG1 4.47Å; Y33-I71 HydrophobicContact CE2-CD1 3.46Å; Y33-I71 VanDerWaalsContact CE2-CD1 3.46Å; Y33-I71 HydrophobicContact CE2-CG1 3.91Å |
| 34 | G | 93.5 | Very high | 93.2 | Very high | 18 Ų | 18 | 69.6 Ų | 69.6 | 19% | 0.186 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 162.8 | 177.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S31 V36 | S31-G34 WeakPolarHBondContact CA-O 3.24Å; G34-V36 PolarHBondContact O-N 3.1Å |
| 35 | K | 94.7 | Very high | 93 | Very high | 153 Ų | 153 | 74.7 Ų | 74.7 | 67% | 0.665 | 35% | 0.354 | S | S | * | . | trans | -72.2 | 114.1 | 178.7 | -67.8 | 177.3 | -177.8 | 172.7 | 0 | 110.4 | F58 L59 | K35-F58 WeakPolarHBondContact O-CA 3.24Å; K35-L59 HydrophobicContact CB-CB 4.22Å; K35-L59 HydrophobicContact CD-CD2 4.23Å; K35-L59 PolarHBondContact O-N 2.82Å | ||
| 36 | V | 94.8 | Very high | 93 | Very high | 10 Ų | 10 | 78.8 Ų | 78.8 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 125.4 | 177.7 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | Y27 F30 G34 V39 I56 F58 | Y27-V36 HydrophobicContact CD2-CB 3.84Å; Y27-V36 HydrophobicContact CD2-CG1 3.73Å; Y27-V36 HydrophobicContact CE2-CB 3.7Å; Y27-V36 HydrophobicContact CE2-CG1 3.96Å; Y27-V36 WeakPolarHBondContact CE2-O 3.23Å; F30-V36 HydrophobicContact CB-CG2 4.22Å; G34-V36 PolarHBondContact O-N 3.1Å; V36-V39 HydrophobicContact CG1-CG2 3.68Å; V36-I56 HydrophobicContact CG1-CG2 3.82Å; V36-I56 HydrophobicContact CG2-CG2 4.19Å; V36-F58 HydrophobicContact CG2-CD1 4.07Å; V36-F58 HydrophobicContact CG2-CE1 3.63Å; V36-F58 HydrophobicContact CG2-CZ 4.22Å |
| 37 | V | 93.1 | Very high | 92.9 | Very high | 81 Ų | 81 | 82.5 Ų | 82.5 | 49% | 0.491 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -42.9 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 110.6 | L57 L59 | V37-L57 HydrophobicContact CB-CB 4.46Å; V37-L57 HydrophobicContact CB-CD2 3.74Å; V37-L57 HydrophobicContact CB-CG 4.07Å; V37-L57 HydrophobicContact CG1-CD2 3.72Å; V37-L57 HydrophobicContact CG2-CD2 4.37Å; V37-L57 PolarHBondContact N-O 2.89Å; V37-L59 HydrophobicContact CG2-CB 3.98Å; V37-L59 HydrophobicContact CG2-CD1 4.03Å |
| 38 | K | 90.9 | Very high | 92.5 | Very high | 85 Ų | 85 | 87 Ų | 87 | 37% | 0.37 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 140.1 | -177.5 | -166.6 | -178.1 | -176.6 | 175.5 | 0 | 111.8 | L5 L57 | L5-K38 HydrophobicContact CD1-CD 3.55Å; K38-L57 HydrophobicContact CB-CB 4.31Å; K38-L57 PolarHBondContact N-O 2.99Å; K38-L57 PolarHBondContact O-N 3.17Å |
| 39 | V | 93.5 | Very high | 92.3 | Very high | 22 Ų | 22 | 86.5 Ų | 86.5 | 13% | 0.133 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 133.6 | 170.2 | -178 | 0 | 0 | 0 | 0 | 108.9 | N23 L26 Y27 V36 I56 | N23-V39 HydrophobicContact CB-CG1 4.48Å; L26-V39 HydrophobicContact CB-CG1 3.86Å; L26-V39 HydrophobicContact CD1-CG1 3.87Å; Y27-V39 HydrophobicContact CD2-CG2 4.36Å; V36-V39 HydrophobicContact CG1-CG2 3.68Å; V39-I56 HydrophobicContact CG1-CG1 4.4Å; V39-I56 HydrophobicContact CG2-CG2 4.43Å |
| 40 | T | 91.8 | Very high | 92.2 | Very high | 64 Ų | 64 | 85.8 Ų | 85.8 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 107.7 | 176.2 | -55.4 | 0 | 0 | 0 | 0 | 109.7 | A54 F55 | T40-A54 WeakPolarHBondContact O-CA 2.99Å; T40-F55 PolarHBondContact N-O 2.95Å; T40-F55 PolarHBondContact O-N 3.41Å |
| 41 | I | 93.2 | Very high | 92.1 | Very high | 25 Ų | 25 | 90.9 Ų | 90.9 | 13% | 0.128 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 129.8 | 170.7 | -65.5 | 166.1 | 0 | 0 | 0 | 109.4 | N23 L26 K43 A54 | N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 VanDerWaalsContact OD1-CD1 3.25Å; N23-I41 WeakPolarHBondContact OD1-CD1 3.48Å; N23-I41 WeakPolarHBondContact OD1-CG1 3.46Å; N23-I41 PolarHBondContact OD1-N 2.85Å; L26-I41 HydrophobicContact CD1-CD1 3.75Å; L26-I41 HydrophobicContact CD1-CG1 3.57Å; I41-K43 HydrophobicContact CG2-CG 4.4Å; I41-K43 PolarHBondContact O-N 3.05Å; I41-A54 HydrophobicContact CG1-CB 4.18Å |
| 42 | M | 91.1 | Very high | 91.9 | Very high | 92 Ų | 92 | 88.5 Ų | 88.5 | 45% | 0.453 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 117.5 | 176.1 | -163.5 | 151 | 170.1 | 0 | 0 | 109.4 | K51 V53 F55 | M42-K51 PolarHBondContact O-N 2.98Å; M42-V53 HydrophobicContact CB-CB 4.24Å; M42-V53 HydrophobicContact CB-CG1 4.33Å; M42-V53 PolarHBondContact N-O 3.11Å; M42-F55 HydrophobicContact SD-CE2 3.93Å |
| 43 | K | 91.8 | Very high | 91.9 | Very high | 121 Ų | 121 | 81.1 Ų | 81.1 | 53% | 0.526 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 149.9 | 177.1 | -63.2 | -176.3 | 178.1 | -172.3 | 0 | 109.8 | I41 K49 | I41-K43 HydrophobicContact CG2-CG 4.4Å; I41-K43 PolarHBondContact O-N 3.05Å; K43-K49 WeakPolarHBondContact CA-O 3.46Å |
| 44 | D | 91.6 | Very high | 92 | Very high | 44 Ų | 44 | 78.5 Ų | 78.5 | 24% | 0.235 | 38% | 0.381 | C | S | . | . | trans | -71.1 | 146.3 | 172.1 | -156.3 | 22 | 0 | 0 | 0 | 111.3 | T47 R48 K49 K51 | D44-T47 WeakPolarHBondContact CB-OG1 3.42Å; D44-T47 PolarHBondContact OD2-OG1 3.39Å; D44-R48 WeakPolarHBondContact O-CA 3.29Å; D44-R48 PolarHBondContact O-N 2.92Å; D44-R48 VanDerWaalsContact O-N 3.16Å; D44-K49 PolarHBondContact N-O 3.49Å; D44-K51 VanDerWaalsContact CA-CE 3.42Å; D44-K51 VanDerWaalsContact CB-CE 3.46Å; D44-K51 HydrophobicContact CB-CG 4.37Å; D44-K51 VanDerWaalsContact CG-CE 3.44Å; D44-K51 WeakPolarHBondContact OD1-CE 3.33Å; D44-K51 IonicContact OD1-NZ 2.8Å; D44-K51 PolarHBondContact OD1-NZ 2.87Å | ||
| 45 | K | 90.1 | Very high | 92 | Very high | 192 Ų | 192 | 80.4 Ų | 80.4 | 84% | 0.835 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -40.2 | -174.6 | -67.6 | -172.5 | 176.4 | -162.9 | 0 | 111.4 | ||
| 46 | D | 92.8 | Very high | 92 | Very high | 142 Ų | 142 | 73.1 Ų | 73.1 | 76% | 0.759 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -54.3 | -174.7 | -49.3 | -49.7 | 0 | 0 | 0 | 110.6 | R48 | D46-R48 PolarHBondContact O-N 3.34Š|
| 47 | T | 91.1 | Very high | 91.9 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 49% | 0.491 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -13.1 | -175.5 | 64.4 | 0 | 0 | 0 | 0 | 113.9 | D44 K49 | D44-T47 WeakPolarHBondContact CB-OG1 3.42Å; D44-T47 PolarHBondContact OD2-OG1 3.39Å; T47-K49 PolarHBondContact O-N 3.04Å |
| 48 | R | 87.3 | Confident | 92 | Very high | 205 Ų | 205 | 70 Ų | 70 | 77% | 0.774 | 33% | 0.333 | S | S | * | . | trans | 53.6 | 8.4 | -172.2 | -69 | -168.3 | -87.8 | -179.8 | -7.7 | 115.2 | D44 D46 | D44-R48 WeakPolarHBondContact O-CA 3.29Å; D44-R48 PolarHBondContact O-N 2.92Å; D44-R48 VanDerWaalsContact O-N 3.16Å; D46-R48 PolarHBondContact O-N 3.34Å | ||
| 49 | K | 89.1 | Confident | 92.1 | Very high | 152 Ų | 152 | 70.8 Ų | 70.8 | 66% | 0.661 | 34% | 0.341 | S | S | * | . | trans | -77.2 | 148.9 | 176.6 | -67.8 | 178.7 | -177.9 | 179 | 0 | 110 | K43 D44 T47 | K43-K49 WeakPolarHBondContact CA-O 3.46Å; D44-K49 PolarHBondContact N-O 3.49Å; T47-K49 PolarHBondContact O-N 3.04Å | ||
| 50 | S | 90.9 | Very high | 92.1 | Very high | 26 Ų | 26 | 73.5 Ų | 73.5 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 134.3 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 109.7 | F19 G52 | F19-S50 WeakPolarHBondContact CD1-O 3.4Å; F19-S50 WeakPolarHBondContact CE1-O 3.35Å; S50-G52 PolarHBondContact O-N 3.4Å |
| 51 | K | 90.8 | Very high | 92.2 | Very high | 108 Ų | 108 | 76.4 Ų | 76.4 | 47% | 0.47 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 4.6 | 174.6 | -63.9 | -163.9 | 178.8 | -164.9 | 0 | 113.4 | M42 D44 V53 | M42-K51 PolarHBondContact O-N 2.98Å; D44-K51 VanDerWaalsContact CA-CE 3.42Å; D44-K51 VanDerWaalsContact CB-CE 3.46Å; D44-K51 HydrophobicContact CB-CG 4.37Å; D44-K51 VanDerWaalsContact CG-CE 3.44Å; D44-K51 WeakPolarHBondContact OD1-CE 3.33Å; D44-K51 IonicContact OD1-NZ 2.8Å; D44-K51 PolarHBondContact OD1-NZ 2.87Å; K51-V53 PolarHBondContact O-N 3.41Å |
| 52 | G | 91.8 | Very high | 92.2 | Very high | 6 Ų | 6 | 80.9 Ų | 80.9 | 6% | 0.062 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.8 | 23.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N16 L17 S50 | N16-G52 PolarHBondContact N-O 2.9Å; N16-G52 VanDerWaalsContact N-O 3.12Å; L17-G52 PolarHBondContact N-O 3.39Å; L17-G52 WeakPolarHBondContact O-CA 3.3Å; S50-G52 PolarHBondContact O-N 3.4Å |
| 53 | V | 93.8 | Very high | 92.4 | Very high | 22 Ų | 22 | 77.5 Ų | 77.5 | 13% | 0.133 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136 | -178.3 | 175.3 | 0 | 0 | 0 | 0 | 109.1 | Y13 V14 M42 K51 F55 | Y13-V53 HydrophobicContact CD2-CG1 3.99Å; Y13-V53 HydrophobicContact CE2-CG1 3.25Å; V14-V53 WeakPolarHBondContact O-CA 3.46Å; M42-V53 HydrophobicContact CB-CB 4.24Å; M42-V53 HydrophobicContact CB-CG1 4.33Å; M42-V53 PolarHBondContact N-O 3.11Å; K51-V53 PolarHBondContact O-N 3.41Å; V53-F55 HydrophobicContact CG1-CE2 4.39Å |
| 54 | A | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 148.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | V14 L17 L26 T40 I41 | V14-A54 PolarHBondContact N-O 3.39Å; V14-A54 PolarHBondContact O-N 2.95Å; L17-A54 HydrophobicContact CD1-CB 3.56Å; L26-A54 HydrophobicContact CD1-CB 3.72Å; T40-A54 WeakPolarHBondContact O-CA 2.99Å; I41-A54 HydrophobicContact CG1-CB 4.18Å |
| 55 | F | 94.1 | Very high | 92.7 | Very high | 58 Ų | 58 | 73.2 Ų | 73.2 | 25% | 0.254 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.2 | 169.9 | -65.9 | -86.5 | 0 | 0 | 0 | 109.2 | T11 V12 Y13 T40 M42 V53 A86 | T11-F55 HydrophobicContact CG2-CB 4.27Å; T11-F55 HydrophobicContact CG2-CD1 4.3Å; V12-F55 WeakPolarHBondContact O-CA 3.16Å; Y13-F55 HydrophobicContact CD2-CD1 4.25Å; Y13-F55 AromaticContact CD2-CE1 3.6Å; Y13-F55 HydrophobicContact CD2-CE1 3.6Å; Y13-F55 HydrophobicContact CD2-CE2 4.46Å; Y13-F55 AromaticContact CD2-CZ 3.71Å; Y13-F55 HydrophobicContact CD2-CZ 3.71Å; Y13-F55 HydrophobicContact CE2-CE1 4.43Å; Y13-F55 HydrophobicContact CE2-CZ 4.11Å; Y13-F55 HydrophobicContact CG-CE1 4.45Å; T40-F55 PolarHBondContact N-O 2.95Å; T40-F55 PolarHBondContact O-N 3.41Å; M42-F55 HydrophobicContact SD-CE2 3.93Å; V53-F55 HydrophobicContact CG1-CE2 4.39Å; F55-A86 HydrophobicContact CD1-CB 4.08Å; F55-A86 HydrophobicContact CE1-CB 4.17Å |
| 56 | I | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 115.2 | -178.7 | -56.2 | 177.3 | 0 | 0 | 0 | 107.6 | T11 V12 V14 F30 V36 V39 F58 | T11-I56 CarbonylContact C-O 3.56Å; T11-I56 WeakPolarHBondContact CA-O 3.4Å; V12-I56 PolarHBondContact N-O 2.96Å; V12-I56 PolarHBondContact O-N 2.85Å; V14-I56 HydrophobicContact CG2-CD1 4.15Å; F30-I56 HydrophobicContact CB-CD1 4.03Å; F30-I56 HydrophobicContact CB-CG2 4.48Å; F30-I56 HydrophobicContact CD1-CD1 3.49Å; F30-I56 VanDerWaalsContact CD1-CD1 3.49Å; F30-I56 HydrophobicContact CD2-CD1 3.37Å; F30-I56 HydrophobicContact CE1-CD1 3.65Å; F30-I56 HydrophobicContact CE2-CD1 3.57Å; F30-I56 HydrophobicContact CG-CD1 3.34Å; F30-I56 HydrophobicContact CZ-CD1 3.71Å; V36-I56 HydrophobicContact CG1-CG2 3.82Å; V36-I56 HydrophobicContact CG2-CG2 4.19Å; V39-I56 HydrophobicContact CG1-CG1 4.4Å; V39-I56 HydrophobicContact CG2-CG2 4.43Å; I56-F58 HydrophobicContact CB-CE2 4.24Å; I56-F58 HydrophobicContact CG2-CD2 4.17Å; I56-F58 HydrophobicContact CG2-CE2 3.64Å; I56-F58 HydrophobicContact CG2-CZ 3.9Å |
| 57 | L | 93.3 | Very high | 93 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 13% | 0.131 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.4 | 172.7 | 180 | 71.9 | 0 | 0 | 0 | 109.1 | L5 T11 V37 K38 | L5-L57 HydrophobicContact CD2-CD2 3.17Å; L5-L57 HydrophobicContact CD2-CG 4.29Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.5Å; V37-L57 HydrophobicContact CB-CB 4.46Å; V37-L57 HydrophobicContact CB-CD2 3.74Å; V37-L57 HydrophobicContact CB-CG 4.07Å; V37-L57 HydrophobicContact CG1-CD2 3.72Å; V37-L57 HydrophobicContact CG2-CD2 4.37Å; V37-L57 PolarHBondContact N-O 2.89Å; K38-L57 HydrophobicContact CB-CB 4.31Å; K38-L57 PolarHBondContact N-O 2.99Å; K38-L57 PolarHBondContact O-N 3.17Å |
| 58 | F | 94.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 58.6 Ų | 58.6 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 157.5 | 166.6 | -69.4 | -87 | 0 | 0 | 0 | 111.2 | S10 V12 F30 K35 V36 I56 A64 C67 | S10-F58 WeakPolarHBondContact CB-O 3.43Å; S10-F58 PolarHBondContact O-N 3.25Å; V12-F58 HydrophobicContact CB-CE2 4.16Å; V12-F58 HydrophobicContact CG2-CD2 3.81Å; V12-F58 HydrophobicContact CG2-CE2 3.6Å; F30-F58 HydrophobicContact CB-CZ 4.16Å; F30-F58 HydrophobicContact CD1-CZ 4.36Å; K35-F58 WeakPolarHBondContact O-CA 3.24Å; V36-F58 HydrophobicContact CG2-CD1 4.07Å; V36-F58 HydrophobicContact CG2-CE1 3.63Å; V36-F58 HydrophobicContact CG2-CZ 4.22Å; I56-F58 HydrophobicContact CB-CE2 4.24Å; I56-F58 HydrophobicContact CG2-CD2 4.17Å; I56-F58 HydrophobicContact CG2-CE2 3.64Å; I56-F58 HydrophobicContact CG2-CZ 3.9Å; F58-A64 HydrophobicContact CB-CB 4.42Å; F58-A64 HydrophobicContact CD2-CB 3.96Å; F58-A64 HydrophobicContact CG-CB 4.46Å; F58-C67 HydrophobicContact CE2-CB 4.04Å; F58-C67 HydrophobicContact CZ-CB 3.92Å |
| 59 | L | 92.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 57.7 Ų | 57.7 | 53% | 0.529 | 28% | 0.277 | S | S | . | . | S | Bend | trans | -64.9 | -48.7 | 171.6 | -170.3 | 70.1 | 0 | 0 | 0 | 110.1 | K35 V37 | K35-L59 HydrophobicContact CB-CB 4.22Å; K35-L59 HydrophobicContact CD-CD2 4.23Å; K35-L59 PolarHBondContact O-N 2.82Å; V37-L59 HydrophobicContact CG2-CB 3.98Å; V37-L59 HydrophobicContact CG2-CD1 4.03Å |
| 60 | D | 93.4 | Very high | 93.7 | Very high | 78 Ų | 78 | 51.6 Ų | 51.6 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -104.7 | 148.7 | -175.3 | -54.8 | -50 | 0 | 0 | 0 | 112.5 | A64 | D60-A64 PolarHBondContact O-N 3.32Š|
| 61 | K | 93.3 | Very high | 93.9 | Very high | 126 Ų | 126 | 50.5 Ų | 50.5 | 55% | 0.548 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.6 | -39.2 | 177.3 | -57.9 | 168.1 | -171.1 | 171 | 0 | 110.9 | S10 S63 A64 Q65 | S10-K61 VanDerWaalsContact OG-CG 3.28Å; S10-K61 WeakPolarHBondContact OG-CG 3.24Å; K61-S63 VanDerWaalsContact C-N 3.34Å; K61-S63 PolarHBondContact O-N 3.07Å; K61-A64 WeakPolarHBondContact O-CB 3.41Å; K61-A64 PolarHBondContact O-N 3.36Å; K61-Q65 PolarHBondContact O-N 3.31Å |
| 62 | D | 94.8 | Very high | 94 | Very high | 119 Ų | 119 | 48.8 Ų | 48.8 | 64% | 0.636 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68.6 | -37.1 | -177.3 | -53.1 | -51.8 | 0 | 0 | 0 | 111.3 | A64 Q65 N66 | D62-A64 VanDerWaalsContact C-N 3.3Å; D62-A64 PolarHBondContact O-N 3.02Å; D62-Q65 PolarHBondContact O-N 3.15Å; D62-N66 WeakPolarHBondContact O-CB 3.39Å; D62-N66 PolarHBondContact O-N 3.16Å |
| 63 | S | 94.8 | Very high | 94.1 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 14% | 0.14 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.9 | -43.2 | 171.5 | -69.5 | 0 | 0 | 0 | 0 | 111.6 | K61 N66 C67 | K61-S63 VanDerWaalsContact C-N 3.34Å; K61-S63 PolarHBondContact O-N 3.07Å; S63-N66 PolarHBondContact O-N 3.48Å; S63-C67 WeakPolarHBondContact O-CB 3.46Å; S63-C67 PolarHBondContact O-N 3.13Å |
| 64 | A | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.4 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V12 F58 D60 K61 D62 C67 T68 | V12-A64 HydrophobicContact CG2-CB 3.62Å; F58-A64 HydrophobicContact CB-CB 4.42Å; F58-A64 HydrophobicContact CD2-CB 3.96Å; F58-A64 HydrophobicContact CG-CB 4.46Å; D60-A64 PolarHBondContact O-N 3.32Å; K61-A64 WeakPolarHBondContact O-CB 3.41Å; K61-A64 PolarHBondContact O-N 3.36Å; D62-A64 VanDerWaalsContact C-N 3.3Å; D62-A64 PolarHBondContact O-N 3.02Å; A64-C67 PolarHBondContact O-N 2.99Å; A64-T68 WeakPolarHBondContact O-CG2 3.21Å; A64-T68 PolarHBondContact O-N 2.99Å; A64-T68 PolarHBondContact O-OG1 3.35Å |
| 65 | Q | 94.8 | Very high | 93.9 | Very high | 75 Ų | 75 | 64 Ų | 64 | 35% | 0.35 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.4 | -43.1 | 175.5 | -68.5 | -166.2 | 0.9 | 0 | 0 | 112.4 | K61 D62 T68 R69 I85 | K61-Q65 PolarHBondContact O-N 3.31Å; D62-Q65 PolarHBondContact O-N 3.15Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.16Å; Q65-T68 PolarHBondContact O-N 3.24Å; Q65-T68 PolarHBondContact O-OG1 3.15Å; Q65-R69 WeakPolarHBondContact O-CG 3.49Å; Q65-R69 PolarHBondContact O-N 3.03Å; Q65-I85 HydrophobicContact CG-CD1 4.38Å |
| 66 | N | 95.2 | Very high | 93.7 | Very high | 91 Ų | 91 | 63.1 Ų | 63.1 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 176.7 | -170.7 | 15 | 0 | 0 | 0 | 110.8 | D62 S63 T68 R69 A70 | D62-N66 WeakPolarHBondContact O-CB 3.39Å; D62-N66 PolarHBondContact O-N 3.16Å; S63-N66 PolarHBondContact O-N 3.48Å; N66-T68 PolarHBondContact O-N 3.45Å; N66-R69 PolarHBondContact O-N 3.47Å; N66-A70 VanDerWaalsContact O-CB 3.24Å; N66-A70 WeakPolarHBondContact O-CB 3.39Å; N66-A70 PolarHBondContact O-N 3.43Å |
| 67 | C | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -54.6 | -49.2 | 174.4 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | V12 F30 Y33 F58 S63 A64 A70 I71 | V12-C67 HydrophobicContact CG2-CB 4.43Å; F30-C67 WeakPolarHBondContact CD1-SG 3.4Å; Y33-C67 HydrophobicContact CG-CB 4.26Å; F58-C67 HydrophobicContact CE2-CB 4.04Å; F58-C67 HydrophobicContact CZ-CB 3.92Å; S63-C67 WeakPolarHBondContact O-CB 3.46Å; S63-C67 PolarHBondContact O-N 3.13Å; A64-C67 PolarHBondContact O-N 2.99Å; C67-A70 PolarHBondContact O-N 3.46Å; C67-I71 VanDerWaalsContact O-CB 3.23Å; C67-I71 WeakPolarHBondContact O-CB 3.49Å; C67-I71 PolarHBondContact O-N 3.29Å |
| 68 | T | 94.9 | Very high | 93.1 | Very high | 16 Ų | 16 | 72.4 Ų | 72.4 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.3 | -48.3 | 180 | 49.7 | 0 | 0 | 0 | 0 | 111.9 | V12 A64 Q65 N66 A70 I71 N72 A83 I85 | V12-T68 HydrophobicContact CB-CG2 4.41Å; V12-T68 HydrophobicContact CG1-CG2 3.69Å; V12-T68 HydrophobicContact CG2-CG2 3.97Å; A64-T68 WeakPolarHBondContact O-CG2 3.21Å; A64-T68 PolarHBondContact O-N 2.99Å; A64-T68 PolarHBondContact O-OG1 3.35Å; Q65-T68 WeakPolarHBondContact CA-OG1 3.16Å; Q65-T68 PolarHBondContact O-N 3.24Å; Q65-T68 PolarHBondContact O-OG1 3.15Å; N66-T68 PolarHBondContact O-N 3.45Å; T68-A70 VanDerWaalsContact C-N 3.31Å; T68-A70 PolarHBondContact O-N 3.43Å; T68-I71 PolarHBondContact O-N 3.45Å; T68-N72 WeakPolarHBondContact O-CB 3.41Å; T68-N72 PolarHBondContact O-N 3.04Å; T68-A83 HydrophobicContact CG2-CB 4.48Å; T68-I85 HydrophobicContact CG2-CG1 4.37Å |
| 69 | R | 94.3 | Very high | 92.9 | Very high | 187 Ų | 187 | 76.8 Ų | 76.8 | 71% | 0.706 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | 177.8 | -66.9 | 175 | -164.6 | -174.3 | 7.5 | 112 | Q65 N66 | Q65-R69 WeakPolarHBondContact O-CG 3.49Å; Q65-R69 PolarHBondContact O-N 3.03Å; N66-R69 PolarHBondContact O-N 3.47Å |
| 70 | A | 93.3 | Very high | 92.9 | Very high | 23 Ų | 23 | 74.9 Ų | 74.9 | 19% | 0.19 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -73.5 | -35.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y33 N66 C67 T68 K74 | Y33-A70 HydrophobicContact CD1-CB 3.92Å; Y33-A70 HydrophobicContact CE1-CB 3.41Å; Y33-A70 VanDerWaalsContact CE1-CB 3.41Å; N66-A70 VanDerWaalsContact O-CB 3.24Å; N66-A70 WeakPolarHBondContact O-CB 3.39Å; N66-A70 PolarHBondContact O-N 3.43Å; C67-A70 PolarHBondContact O-N 3.46Å; T68-A70 VanDerWaalsContact C-N 3.31Å; T68-A70 PolarHBondContact O-N 3.43Å; A70-K74 WeakPolarHBondContact O-CD 3.31Å; A70-K74 WeakPolarHBondContact O-CE 3.12Å; A70-K74 WeakPolarHBondContact O-CG 3.42Å; A70-K74 PolarHBondContact O-NZ 3.4Å |
| 71 | I | 93 | Very high | 93 | Very high | 4 Ų | 4 | 71.1 Ų | 71.1 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -97.4 | -24.2 | -170.6 | -72.3 | -176.2 | 0 | 0 | 0 | 113.1 | F30 Y33 C67 T68 N73 K74 I81 A83 | F30-I71 HydrophobicContact CD1-CD1 3.53Å; F30-I71 HydrophobicContact CE1-CD1 3.12Å; F30-I71 HydrophobicContact CE1-CG1 4.47Å; F30-I71 HydrophobicContact CE1-CG2 4.42Å; F30-I71 HydrophobicContact CG-CD1 4.45Å; F30-I71 HydrophobicContact CZ-CD1 3.74Å; Y33-I71 HydrophobicContact CD2-CD1 3.98Å; Y33-I71 HydrophobicContact CE1-CG1 4.47Å; Y33-I71 HydrophobicContact CE2-CD1 3.46Å; Y33-I71 VanDerWaalsContact CE2-CD1 3.46Å; Y33-I71 HydrophobicContact CE2-CG1 3.91Å; C67-I71 VanDerWaalsContact O-CB 3.23Å; C67-I71 WeakPolarHBondContact O-CB 3.49Å; C67-I71 PolarHBondContact O-N 3.29Å; T68-I71 PolarHBondContact O-N 3.45Å; I71-N73 PolarHBondContact O-N 2.66Å; I71-K74 WeakPolarHBondContact O-CB 3.45Å; I71-K74 PolarHBondContact O-N 3.5Å; I71-I81 HydrophobicContact CG2-CD1 3.13Å; I71-I81 HydrophobicContact CG2-CG1 3.91Å; I71-A83 HydrophobicContact CB-CB 4.23Å; I71-A83 HydrophobicContact CG2-CB 3.95Å |
| 72 | N | 94.4 | Very high | 93.1 | Very high | 71 Ų | 71 | 71 Ų | 71 | 38% | 0.38 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 125.2 | -176.8 | -165.9 | 23.8 | 0 | 0 | 0 | 111 | T68 K74 A83 | T68-N72 WeakPolarHBondContact O-CB 3.41Å; T68-N72 PolarHBondContact O-N 3.04Å; N72-K74 VanDerWaalsContact C-N 3.29Å; N72-K74 PolarHBondContact O-N 3.18Å; N72-A83 HydrophobicContact CB-CB 4.46Å; N72-A83 PolarHBondContact OD1-N 3.11Å |
| 73 | N | 93.4 | Very high | 93.1 | Very high | 103 Ų | 103 | 65.5 Ų | 65.5 | 55% | 0.551 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 17.3 | -175.8 | -52.6 | -46.9 | 0 | 0 | 0 | 116 | I71 V80 I81 | I71-N73 PolarHBondContact O-N 2.66Å; N73-V80 HydrophobicContact CB-CG1 4.32Å; N73-I81 WeakPolarHBondContact CA-O 3.28Å; N73-I81 PolarHBondContact N-O 3.19Å |
| 74 | K | 92.3 | Very high | 93.1 | Very high | 98 Ų | 98 | 67.1 Ų | 67.1 | 43% | 0.426 | 34% | 0.342 | S | S | . | . | trans | -78.3 | 149.9 | 169.4 | -74.7 | -166.3 | 169.4 | 153.9 | 0 | 111.8 | A70 I71 N72 V80 I81 | A70-K74 WeakPolarHBondContact O-CD 3.31Å; A70-K74 WeakPolarHBondContact O-CE 3.12Å; A70-K74 WeakPolarHBondContact O-CG 3.42Å; A70-K74 PolarHBondContact O-NZ 3.4Å; I71-K74 WeakPolarHBondContact O-CB 3.45Å; I71-K74 PolarHBondContact O-N 3.5Å; N72-K74 VanDerWaalsContact C-N 3.29Å; N72-K74 PolarHBondContact O-N 3.18Å; K74-V80 WeakPolarHBondContact O-CA 3.39Å; K74-I81 VanDerWaalsContact O-CG1 3.29Å; K74-I81 WeakPolarHBondContact O-CG1 3.32Å; K74-I81 PolarHBondContact O-N 3.21Å | ||
| 75 | Q | 92 | Very high | 93.1 | Very high | 148 Ų | 148 | 70.4 Ų | 70.4 | 69% | 0.692 | 36% | 0.359 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.2 | 171 | -72 | -179 | 0.3 | 0 | 0 | 110.5 | R79 V80 | Q75-R79 CarbonylContact C-O 3.56Å; Q75-R79 WeakPolarHBondContact CA-O 3.33Å; Q75-V80 HydrophobicContact CG-CG2 3.79Å |
| 76 | L | 88.2 | Confident | 92.9 | Very high | 39 Ų | 39 | 67.3 Ų | 67.3 | 20% | 0.204 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 123.3 | 167.7 | -73 | -174.4 | 0 | 0 | 0 | 108.8 | G78 R79 I81 | L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.46Å; L76-R79 PolarHBondContact N-O 2.91Å; L76-R79 PolarHBondContact O-N 2.84Å; L76-I81 HydrophobicContact CB-CG2 4.16Å; L76-I81 HydrophobicContact CD1-CD1 3.32Å; L76-I81 HydrophobicContact CD1-CG1 4.15Å; L76-I81 HydrophobicContact CD1-CG2 4.47Å; L76-I81 HydrophobicContact CG-CD1 3.86Å; L76-I81 HydrophobicContact CG-CG1 4.18Å |
| 77 | F | 86.4 | Confident | 92.6 | Very high | 143 Ų | 143 | 69.6 Ų | 69.6 | 63% | 0.627 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 43.9 | 178.5 | -55.4 | -84.3 | 0 | 0 | 0 | 113.2 | P18 L21 R79 | P18-F77 HydrophobicContact CG-CB 4.16Å; P18-F77 HydrophobicContact CG-CD2 3.93Å; P18-F77 HydrophobicContact CG-CG 4.36Å; L21-F77 HydrophobicContact CD1-CD2 4.34Å; L21-F77 HydrophobicContact CD1-CE2 4.22Å; L21-F77 HydrophobicContact CD2-CD2 4.44Å; L21-F77 HydrophobicContact CD2-CE2 3.74Å; L21-F77 HydrophobicContact CD2-CZ 4.22Å; L21-F77 HydrophobicContact CG-CE2 4.3Å; F77-R79 VanDerWaalsContact C-N 3.26Å; F77-R79 PolarHBondContact O-N 3.19Å |
| 78 | G | 88.8 | Confident | 92 | Very high | 76 Ų | 76 | 72.6 Ų | 72.6 | 78% | 0.784 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 8.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | L76 | L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.46Å |
| 79 | R | 91 | Very high | 91.3 | Very high | 95 Ų | 95 | 78.3 Ų | 78.3 | 36% | 0.358 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.8 | 175.3 | -65 | -174.4 | 178.5 | 173.4 | 0.4 | 110.9 | Q75 L76 F77 I81 | Q75-R79 CarbonylContact C-O 3.56Å; Q75-R79 WeakPolarHBondContact CA-O 3.33Å; L76-R79 PolarHBondContact N-O 2.91Å; L76-R79 PolarHBondContact O-N 2.84Å; F77-R79 VanDerWaalsContact C-N 3.26Å; F77-R79 PolarHBondContact O-N 3.19Å; R79-I81 PolarHBondContact O-N 2.82Å |
| 80 | V | 94.1 | Very high | 90.1 | Very high | 60 Ų | 60 | 71 Ų | 71 | 36% | 0.364 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 116.8 | 172.8 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | N16 N73 K74 Q75 | N16-V80 PolarHBondContact ND2-O 2.94Å; N73-V80 HydrophobicContact CB-CG1 4.32Å; K74-V80 WeakPolarHBondContact O-CA 3.39Å; Q75-V80 HydrophobicContact CG-CG2 3.79Å |
| 81 | I | 94.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 41% | 0.409 | C | S | . | . | trans | -94.9 | 146.5 | 180 | 61 | 156.7 | 0 | 0 | 0 | 110.7 | V14 L17 I71 N73 K74 L76 R79 | V14-I81 HydrophobicContact CG1-CD1 4.17Å; L17-I81 HydrophobicContact CD2-CD1 4.48Å; L17-I81 HydrophobicContact CD2-CG2 4.05Å; I71-I81 HydrophobicContact CG2-CD1 3.13Å; I71-I81 HydrophobicContact CG2-CG1 3.91Å; N73-I81 WeakPolarHBondContact CA-O 3.28Å; N73-I81 PolarHBondContact N-O 3.19Å; K74-I81 VanDerWaalsContact O-CG1 3.29Å; K74-I81 WeakPolarHBondContact O-CG1 3.32Å; K74-I81 PolarHBondContact O-N 3.21Å; L76-I81 HydrophobicContact CB-CG2 4.16Å; L76-I81 HydrophobicContact CD1-CD1 3.32Å; L76-I81 HydrophobicContact CD1-CG1 4.15Å; L76-I81 HydrophobicContact CD1-CG2 4.47Å; L76-I81 HydrophobicContact CG-CD1 3.86Å; L76-I81 HydrophobicContact CG-CG1 4.18Å; R79-I81 PolarHBondContact O-N 2.82Å | ||
| 82 | K | 94.9 | Very high | 87.6 | Confident | 122 Ų | 122 | 79.7 Ų | 79.7 | 53% | 0.53 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.1 | 177.2 | -66.3 | -177.8 | 178.4 | -179.2 | 0 | 109.3 | V14 S15 | V14-K82 WeakPolarHBondContact CA-O 3.47Å; S15-K82 PolarHBondContact N-O 2.96Å; S15-K82 PolarHBondContact O-N 3.35Å; S15-K82 VanDerWaalsContact O-N 3.11Å; S15-K82 WeakPolarHBondContact OG-CB 3.48Å; S15-K82 PolarHBondContact OG-O 3.31Å |
| 83 | A | 95.1 | Very high | 86.1 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 3% | 0.033 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 129.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | V12 Y13 T68 I71 N72 | V12-A83 HydrophobicContact CG1-CB 4.39Å; Y13-A83 WeakPolarHBondContact O-CA 3.3Å; T68-A83 HydrophobicContact CG2-CB 4.48Å; I71-A83 HydrophobicContact CB-CB 4.23Å; I71-A83 HydrophobicContact CG2-CB 3.95Å; N72-A83 HydrophobicContact CB-CB 4.46Å; N72-A83 PolarHBondContact OD1-N 3.11Å |
| 84 | S | 94.8 | Very high | 84.5 | Confident | 55 Ų | 55 | 77.9 Ų | 77.9 | 39% | 0.385 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 163.5 | 176.4 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | Y13 A86 | Y13-S84 PolarHBondContact N-O 2.91Å; Y13-S84 PolarHBondContact O-N 3.23Å; S84-A86 PolarHBondContact O-N 3.39Å |
| 85 | I | 94.1 | Very high | 82.8 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 35% | 0.354 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 134.3 | 169.5 | -60.3 | 172.8 | 0 | 0 | 0 | 107.6 | Q65 T68 I87 | Q65-I85 HydrophobicContact CG-CD1 4.38Å; T68-I85 HydrophobicContact CG2-CG1 4.37Å; I85-I87 PolarHBondContact O-N 2.77Å |
| 86 | A | 91.9 | Very high | 81.3 | Confident | 9 Ų | 9 | 77.8 Ų | 77.8 | 7% | 0.074 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 129.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | P7 T11 F55 S84 | P7-A86 HydrophobicContact CB-CB 3.9Å; T11-A86 HydrophobicContact CG2-CB 3.84Å; T11-A86 VanDerWaalsContact O-CB 3.32Å; T11-A86 WeakPolarHBondContact O-CB 3.17Å; T11-A86 PolarHBondContact O-N 3.48Å; F55-A86 HydrophobicContact CD1-CB 4.08Å; F55-A86 HydrophobicContact CE1-CB 4.17Å; S84-A86 PolarHBondContact O-N 3.39Å |
| 87 | I | 87.9 | Confident | 80 | Confident | 140 Ų | 140 | 85.6 Ų | 85.6 | 72% | 0.718 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -94.6 | 135.3 | 174.6 | -57.4 | 171.8 | 0 | 0 | 0 | 107.1 | I85 N89 | I85-I87 PolarHBondContact O-N 2.77Å; I87-N89 PolarHBondContact O-OD1 3.47Å |
| 88 | D | 83.2 | Confident | 78.4 | Confident | 63 Ų | 63 | 87.2 Ų | 87.2 | 34% | 0.337 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 132.5 | 172.1 | -166.7 | 6.1 | 0 | 0 | 0 | 109.9 | P7 G90 | P7-D88 HydrophobicContact CG-CB 3.75Å; D88-G90 PolarHBondContact O-N 3.14Å; D88-G90 VanDerWaalsContact O-N 3.13Å; D88-G90 PolarHBondContact OD1-N 2.8Å |
| 89 | N | 78.6 | Confident | 76.6 | Confident | 135 Ų | 135 | 91.1 Ų | 91.1 | 72% | 0.722 | 43% | 0.434 | S | S | * | . | trans | -79.5 | 10.9 | -179.7 | -57.6 | -9.8 | 0 | 0 | 0 | 111.5 | I87 R91 | I87-N89 PolarHBondContact O-OD1 3.47Å; N89-R91 PolarHBondContact O-N 3.01Å | ||
| 90 | G | 70.1 | Confident | 74.9 | Confident | 35 Ų | 35 | 92.8 Ų | 92.8 | 36% | 0.361 | 45% | 0.45 | S | S | . | . | S | Bend | trans | 67.9 | -16.2 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D88 A92 A93 E94 | D88-G90 PolarHBondContact O-N 3.14Å; D88-G90 VanDerWaalsContact O-N 3.13Å; D88-G90 PolarHBondContact OD1-N 2.8Å; G90-A92 VanDerWaalsContact C-N 3.25Å; G90-A92 PolarHBondContact O-N 3.35Å; G90-A93 PolarHBondContact O-N 3.42Å; G90-E94 PolarHBondContact O-N 3.26Å; G90-E94 VanDerWaalsContact O-N 3.09Å |
| 91 | R | 68.2 | Low | 73.1 | Confident | 180 Ų | 180 | 98.8 Ų | 98.8 | 68% | 0.679 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -60.6 | -31.4 | 179.5 | -103.5 | -170.3 | 177.4 | 91.2 | -2 | 113.1 | N89 E94 F95 | N89-R91 PolarHBondContact O-N 3.01Å; R91-E94 PolarHBondContact O-N 2.87Å; R91-F95 WeakPolarHBondContact O-CB 3.49Å; R91-F95 PolarHBondContact O-N 3.01Å |
| 92 | A | 64.8 | Low | 71.1 | Confident | 28 Ų | 28 | 106.4 Ų | 106.4 | 23% | 0.231 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -65.6 | -46 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | A6 G90 F95 I96 | A6-A92 HydrophobicContact CB-CB 4.11Å; G90-A92 VanDerWaalsContact C-N 3.25Å; G90-A92 PolarHBondContact O-N 3.35Å; A92-F95 PolarHBondContact O-N 2.83Å; A92-I96 VanDerWaalsContact O-CG1 3.27Å; A92-I96 WeakPolarHBondContact O-CG1 3.37Å; A92-I96 PolarHBondContact O-N 2.83Å |
| 93 | A | 62.7 | Low | 69.4 | Low | 43 Ų | 43 | 105.2 Ų | 105.2 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G90 F95 I96 R97 | G90-A93 PolarHBondContact O-N 3.42Å; A93-F95 PolarHBondContact O-N 2.81Å; A93-I96 PolarHBondContact O-N 2.8Å; A93-R97 WeakPolarHBondContact O-CG 3.34Å; A93-R97 PolarHBondContact O-N 2.91Å |
| 94 | E | 59.9 | Low | 67.6 | Low | 93 Ų | 93 | 114.6 Ų | 114.6 | 44% | 0.435 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 173 | -75.6 | -158.6 | 171.4 | 0 | 0 | 112.6 | G90 R91 I96 R97 R98 | G90-E94 PolarHBondContact O-N 3.26Å; G90-E94 VanDerWaalsContact O-N 3.09Å; R91-E94 PolarHBondContact O-N 2.87Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 3.45Å; E94-R97 PolarHBondContact O-N 2.92Å; E94-R98 WeakPolarHBondContact O-CB 3.25Å; E94-R98 VanDerWaalsContact O-CG 3.23Å; E94-R98 WeakPolarHBondContact O-CG 3.19Å; E94-R98 PolarHBondContact O-N 3.21Å; E94-R98 IonicContact OE2-CZ 2.75Å; E94-R98 IonicContact OE2-NE 2.79Å; E94-R98 IonicContact OE2-NH2 3.83Å; E94-R98 PolarHBondContact OE2-NH2 2.85Å |
| 95 | F | 56.7 | Low | 66.4 | Low | 146 Ų | 146 | 113.5 Ų | 113.5 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.5 | -30.3 | 176.2 | -115 | -89.7 | 0 | 0 | 0 | 112.7 | R91 A92 A93 R99 | R91-F95 WeakPolarHBondContact O-CB 3.49Å; R91-F95 PolarHBondContact O-N 3.01Å; A92-F95 PolarHBondContact O-N 2.83Å; A93-F95 PolarHBondContact O-N 2.81Å; F95-R99 PolarHBondContact O-N 2.93Å |
| 96 | I | 61.4 | Low | 65.7 | Low | 99 Ų | 99 | 117.1 Ų | 117.1 | 51% | 0.508 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.1 | -43 | 172.1 | -66.5 | 162.3 | 0 | 0 | 0 | 110.2 | A92 A93 E94 R99 | A92-I96 VanDerWaalsContact O-CG1 3.27Å; A92-I96 WeakPolarHBondContact O-CG1 3.37Å; A92-I96 PolarHBondContact O-N 2.83Å; A93-I96 PolarHBondContact O-N 2.8Å; E94-I96 VanDerWaalsContact C-N 3.3Å; E94-I96 PolarHBondContact O-N 3.45Å; I96-R99 WeakPolarHBondContact O-CB 3.32Å; I96-R99 PolarHBondContact O-N 2.92Å; I96-R99 VanDerWaalsContact O-N 3.11Å |
| 97 | R | 59.9 | Low | 65 | Low | 203 Ų | 203 | 116.9 Ų | 116.9 | 77% | 0.766 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.8 | -37.9 | 177.5 | -72.7 | 177.7 | -179.2 | 170.8 | -0.1 | 112.9 | A93 E94 R99 N100 | A93-R97 WeakPolarHBondContact O-CG 3.34Å; A93-R97 PolarHBondContact O-N 2.91Å; E94-R97 PolarHBondContact O-N 2.92Å; R97-R99 PolarHBondContact O-N 3.2Å; R97-N100 PolarHBondContact O-N 2.86Å |
| 98 | R | 54.8 | Low | 64.6 | Low | 177 Ų | 177 | 119.7 Ų | 119.7 | 67% | 0.668 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -2.2 | 172.3 | -67.5 | 179.2 | -159.8 | -158.9 | 6.8 | 113 | E94 N100 | E94-R98 WeakPolarHBondContact O-CB 3.25Å; E94-R98 VanDerWaalsContact O-CG 3.23Å; E94-R98 WeakPolarHBondContact O-CG 3.19Å; E94-R98 PolarHBondContact O-N 3.21Å; E94-R98 IonicContact OE2-CZ 2.75Å; E94-R98 IonicContact OE2-NE 2.79Å; E94-R98 IonicContact OE2-NH2 3.83Å; E94-R98 PolarHBondContact OE2-NH2 2.85Å; R98-N100 VanDerWaalsContact C-N 3.26Å |
| 99 | R | 49.3 | Very low | 64 | Low | 158 Ų | 158 | 120.9 Ų | 120.9 | 60% | 0.596 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 14.1 | 172.1 | -132 | -168.7 | -58.3 | 160.8 | 0.9 | 113.3 | F95 I96 R97 Y101 | F95-R99 PolarHBondContact O-N 2.93Å; I96-R99 WeakPolarHBondContact O-CB 3.32Å; I96-R99 PolarHBondContact O-N 2.92Å; I96-R99 VanDerWaalsContact O-N 3.11Å; R97-R99 PolarHBondContact O-N 3.2Å; R99-Y101 HydrophobicContact CG-CD2 4.15Å; R99-Y101 HydrophobicContact CG-CE2 3.83Å; R99-Y101 PolarHBondContact O-N 3.31Å |
| 100 | N | 56.2 | Low | 64.1 | Low | 129 Ų | 129 | 115.7 Ų | 115.7 | 69% | 0.69 | 52% | 0.524 | S | S | * | . | trans | -64.4 | 88.9 | 143 | -93.1 | 33.4 | 0 | 0 | 0 | 106.1 | R97 R98 F102 | R97-N100 PolarHBondContact O-N 2.86Å; R98-N100 VanDerWaalsContact C-N 3.26Å; N100-F102 PolarHBondContact O-N 2.9Å | ||
| 101 | Y | 55.9 | Low | 64.5 | Low | 187 Ų | 187 | 116.2 Ų | 116.2 | 73% | 0.733 | 53% | 0.53 | S | S | * | . | trans | -54.9 | 100 | 152.2 | -77.8 | -95.5 | 0 | 0 | 0 | 104 | R99 D103 | R99-Y101 HydrophobicContact CG-CD2 4.15Å; R99-Y101 HydrophobicContact CG-CE2 3.83Å; R99-Y101 PolarHBondContact O-N 3.31Å; Y101-D103 PolarHBondContact O-N 3.48Å | ||
| 102 | F | 52.9 | Low | 65.1 | Low | 160 Ų | 160 | 111.8 Ų | 111.8 | 70% | 0.702 | 52% | 0.517 | S | S | * | . | trans | -57.6 | 105.2 | 157.9 | -105.7 | -88.7 | 0 | 0 | 0 | 103 | N100 K104 | N100-F102 PolarHBondContact O-N 2.9Å; F102-K104 VanDerWaalsContact C-N 3.34Å; F102-K104 PolarHBondContact O-N 3.12Å | ||
| 103 | D | 58.5 | Low | 65.6 | Low | 96 Ų | 96 | 115.4 Ų | 115.4 | 51% | 0.513 | 54% | 0.54 | S | S | . | . | trans | -52.3 | 107.8 | 178 | -75.7 | -39 | 0 | 0 | 0 | 105.6 | Y101 S105 L116 | Y101-D103 PolarHBondContact O-N 3.48Å; D103-S105 WeakPolarHBondContact CB-OG 3.34Å; D103-S105 PolarHBondContact O-N 3.08Å; D103-L116 HydrophobicContact CB-CD2 4.25Å | ||
| 104 | K | 58.2 | Low | 66.3 | Low | 201 Ų | 201 | 116 Ų | 116 | 87% | 0.874 | 55% | 0.55 | S | S | * | * | trans | -68.4 | 7.4 | 171.1 | -58.6 | -179 | -172.8 | -175.2 | 0 | 110.4 | F102 K106 | F102-K104 VanDerWaalsContact C-N 3.34Å; F102-K104 PolarHBondContact O-N 3.12Å; K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 2.82Å | ||
| 105 | S | 69.5 | Low | 67.1 | Low | 33 Ų | 33 | 113.6 Ų | 113.6 | 23% | 0.231 | 54% | 0.539 | C | S | . | . | trans | -66.7 | 100.9 | 166.9 | 61.5 | 0 | 0 | 0 | 0 | 107.1 | D103 C107 L116 | D103-S105 WeakPolarHBondContact CB-OG 3.34Å; D103-S105 PolarHBondContact O-N 3.08Å; S105-C107 PolarHBondContact O-N 3.41Å; S105-L116 WeakPolarHBondContact OG-CD2 3.37Å | ||
| 106 | K | 78.4 | Confident | 67.9 | Low | 145 Ų | 145 | 110.1 Ų | 110.1 | 63% | 0.63 | 53% | 0.527 | S | S | * | . | trans | -43.6 | 140.5 | 157.8 | -60.2 | 175.9 | -178.5 | -179.6 | 0 | 108.1 | K104 Y108 | K104-K106 VanDerWaalsContact C-N 3.34Å; K104-K106 PolarHBondContact O-N 2.82Å; K106-Y108 PolarHBondContact O-N 3.12Å | ||
| 107 | C | 78.6 | Confident | 68.6 | Low | 3 Ų | 3 | 106.4 Ų | 106.4 | 2% | 0.02 | 51% | 0.509 | C | S | . | . | trans | -55.3 | 129.6 | 173.2 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | S105 E109 C110 G111 E112 H115 S117 C120 | S105-C107 PolarHBondContact O-N 3.41Å; C107-E109 PolarHBondContact O-N 2.84Å; C107-E109 PolarHBondContact SG-N 2.86Å; C107-E109 VanDerWaalsContact SG-N 3.4Å; C107-C110 PolarHBondContact SG-SG 3.44Å; C107-G111 VanDerWaalsContact O-CA 3.23Å; C107-G111 WeakPolarHBondContact O-CA 3.43Å; C107-G111 PolarHBondContact O-N 3.4Å; C107-E112 PolarHBondContact N-O 3.45Å; C107-H115 WeakPolarHBondContact CB-NE2 3.42Å; C107-S117 VanDerWaalsContact SG-CA 3.59Å; C107-C120 VanDerWaalsContact SG-CB 3.51Å | ||
| 108 | Y | 77.9 | Confident | 69.2 | Low | 199 Ų | 199 | 103.4 Ų | 103.4 | 78% | 0.78 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -13 | -179.6 | -65.7 | -86.3 | 0 | 0 | 0 | 112.8 | K106 S117 | K106-Y108 PolarHBondContact O-N 3.12Å; Y108-S117 WeakPolarHBondContact CB-OG 3.32Å; Y108-S117 PolarHBondContact N-OG 3.21Å |
| 109 | E | 71.8 | Confident | 69.9 | Low | 88 Ų | 88 | 98.4 Ų | 98.4 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -49.5 | 178.7 | -65.8 | 178.8 | 176.2 | 0 | 0 | 111.9 | C107 N123 | C107-E109 PolarHBondContact O-N 2.84Å; C107-E109 PolarHBondContact SG-N 2.86Å; C107-E109 VanDerWaalsContact SG-N 3.4Å; E109-N123 VanDerWaalsContact OE2-CA 3.25Å; E109-N123 WeakPolarHBondContact OE2-CA 3.45Å; E109-N123 VanDerWaalsContact OE2-CB 3.25Å; E109-N123 WeakPolarHBondContact OE2-CB 3.35Å |
| 110 | C | 81.4 | Confident | 71.3 | Confident | 26 Ų | 26 | 91.2 Ų | 91.2 | 18% | 0.176 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -3.5 | -173 | 47.8 | 0 | 0 | 0 | 0 | 114.7 | C107 E112 H115 C120 K122 | C107-C110 PolarHBondContact SG-SG 3.44Å; C110-E112 PolarHBondContact O-N 3.43Å; C110-H115 VanDerWaalsContact SG-CE1 3.54Å; C110-H115 PolarHBondContact SG-NE2 3.42Å; C110-C120 WeakPolarHBondContact CB-SG 3.08Å; C110-C120 WeakPolarHBondContact SG-CB 3.41Å; C110-C120 CovalentContact SG-SG 2.09Å; C110-C120 PolarHBondContact SG-SG 2.9Å; C110-K122 HydrophobicContact CB-CB 4.24Å; C110-K122 HydrophobicContact CB-CD 3.82Å |
| 111 | G | 77.5 | Confident | 72.3 | Confident | 47 Ų | 47 | 90.3 Ų | 90.3 | 49% | 0.485 | 47% | 0.471 | S | S | . | . | trans | 70.9 | -8.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C107 | C107-G111 VanDerWaalsContact O-CA 3.23Å; C107-G111 WeakPolarHBondContact O-CA 3.43Å; C107-G111 PolarHBondContact O-N 3.4Å | ||
| 112 | E | 80.8 | Confident | 73.1 | Confident | 87 Ų | 87 | 87.3 Ų | 87.3 | 41% | 0.407 | 46% | 0.462 | S | S | . | . | trans | -73.2 | 143.9 | 180 | -70.6 | 169.5 | -153.1 | 0 | 0 | 111.2 | C107 C110 K122 | C107-E112 PolarHBondContact N-O 3.45Å; C110-E112 PolarHBondContact O-N 3.43Å; E112-K122 IonicContact OE1-NZ 3.63Å; E112-K122 PolarHBondContact OE1-NZ 3.13Å | ||
| 113 | S | 75.3 | Confident | 74.1 | Confident | 104 Ų | 104 | 81 Ų | 81 | 73% | 0.727 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -92.7 | 135.1 | 175.7 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 114 | G | 77.6 | Confident | 74.8 | Confident | 55 Ų | 55 | 85 Ų | 85 | 57% | 0.567 | 45% | 0.453 | S | S | * | . | S | Bend | trans | 131.1 | -10.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 115 | H | 76.4 | Confident | 75.3 | Confident | 42 Ų | 42 | 80.5 Ų | 80.5 | 19% | 0.194 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -150.6 | 161.3 | 176.4 | 63.8 | -89.7 | 0 | 0 | 0 | 111.9 | C107 C110 C120 | C107-H115 WeakPolarHBondContact CB-NE2 3.42Å; C110-H115 VanDerWaalsContact SG-CE1 3.54Å; C110-H115 PolarHBondContact SG-NE2 3.42Å; H115-C120 WeakPolarHBondContact CD2-CA 3.36Å; H115-C120 WeakPolarHBondContact NE2-CA 3.42Å; H115-C120 VanDerWaalsContact NE2-CB 3.31Å; H115-C120 WeakPolarHBondContact NE2-CB 3.15Å; H115-C120 PolarHBondContact NE2-SG 3.18Å |
| 116 | L | 74.4 | Confident | 75.2 | Confident | 74 Ų | 74 | 80.7 Ų | 80.7 | 39% | 0.387 | 45% | 0.445 | S | S | . | . | trans | -91.9 | 159.1 | 172.9 | -66.5 | 171.9 | 0 | 0 | 0 | 110.2 | D103 S105 Y118 A119 C120 | D103-L116 HydrophobicContact CB-CD2 4.25Å; S105-L116 WeakPolarHBondContact OG-CD2 3.37Å; L116-Y118 PolarHBondContact O-N 3.1Å; L116-A119 CarbonylContact O-C 3.49Å; L116-A119 PolarHBondContact O-N 2.8Å; L116-C120 PolarHBondContact O-N 3.22Å | ||
| 117 | S | 74.5 | Confident | 74.6 | Confident | 20 Ų | 20 | 83.3 Ų | 83.3 | 14% | 0.14 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -49.1 | -36.8 | -179.4 | -50.9 | 0 | 0 | 0 | 0 | 114 | C107 Y108 A119 C120 | C107-S117 VanDerWaalsContact SG-CA 3.59Å; Y108-S117 WeakPolarHBondContact CB-OG 3.32Å; Y108-S117 PolarHBondContact N-OG 3.21Å; S117-A119 PolarHBondContact O-N 2.89Å; S117-A119 VanDerWaalsContact O-N 3.13Å; S117-C120 PolarHBondContact O-N 3.29Å; S117-C120 VanDerWaalsContact O-N 3.16Å |
| 118 | Y | 72.8 | Confident | 74.2 | Confident | 140 Ų | 140 | 89.9 Ų | 89.9 | 55% | 0.549 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -60.8 | -22.2 | 176.6 | -67.1 | -80 | 0 | 0 | 0 | 115 | L116 R128 | L116-Y118 PolarHBondContact O-N 3.1Å; Y118-R128 HydrophobicContact CD1-CB 4.44Å |
| 119 | A | 70.8 | Confident | 73.7 | Confident | 72 Ų | 72 | 88.8 Ų | 88.8 | 60% | 0.595 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -120.9 | 20.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112 | L116 S117 | L116-A119 CarbonylContact O-C 3.49Å; L116-A119 PolarHBondContact O-N 2.8Å; S117-A119 PolarHBondContact O-N 2.89Å; S117-A119 VanDerWaalsContact O-N 3.13Å |
| 120 | C | 77.2 | Confident | 73.6 | Confident | 8 Ų | 8 | 89.2 Ų | 89.2 | 5% | 0.054 | 50% | 0.497 | C | S | . | . | trans | -71.7 | 130.2 | 175.9 | 179 | 0 | 0 | 0 | 0 | 110.1 | C107 C110 H115 L116 S117 K122 N123 | C107-C120 VanDerWaalsContact SG-CB 3.51Å; C110-C120 WeakPolarHBondContact CB-SG 3.08Å; C110-C120 WeakPolarHBondContact SG-CB 3.41Å; C110-C120 CovalentContact SG-SG 2.09Å; C110-C120 PolarHBondContact SG-SG 2.9Å; H115-C120 WeakPolarHBondContact CD2-CA 3.36Å; H115-C120 WeakPolarHBondContact NE2-CA 3.42Å; H115-C120 VanDerWaalsContact NE2-CB 3.31Å; H115-C120 WeakPolarHBondContact NE2-CB 3.15Å; H115-C120 PolarHBondContact NE2-SG 3.18Å; L116-C120 PolarHBondContact O-N 3.22Å; S117-C120 PolarHBondContact O-N 3.29Å; S117-C120 VanDerWaalsContact O-N 3.16Å; C120-K122 PolarHBondContact O-N 3Å; C120-K122 PolarHBondContact SG-N 3.45Å; C120-N123 HydrophobicContact CB-CB 4.23Å; C120-N123 WeakPolarHBondContact O-CB 3.21Å; C120-N123 PolarHBondContact O-N 3.45Å | ||
| 121 | P | 77.6 | Confident | 73.1 | Confident | 110 Ų | 110 | 93 Ų | 93 | 71% | 0.714 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -15.1 | 176.2 | 28.3 | -35.4 | 0 | 0 | 0 | 112.8 | ||
| 122 | K | 73.6 | Confident | 73.2 | Confident | 124 Ų | 124 | 100.1 Ų | 100.1 | 54% | 0.539 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 12.4 | 172.3 | -61.2 | 171.2 | 177.7 | 158.2 | 0 | 112.5 | C110 E112 C120 M124 | C110-K122 HydrophobicContact CB-CB 4.24Å; C110-K122 HydrophobicContact CB-CD 3.82Å; E112-K122 IonicContact OE1-NZ 3.63Å; E112-K122 PolarHBondContact OE1-NZ 3.13Å; C120-K122 PolarHBondContact O-N 3Å; C120-K122 PolarHBondContact SG-N 3.45Å; K122-M124 PolarHBondContact O-N 2.89Å |
| 123 | N | 74.4 | Confident | 72.7 | Confident | 26 Ų | 26 | 105.4 Ų | 105.4 | 14% | 0.139 | 56% | 0.56 | C | S | . | * | trans | -66 | 102.1 | -179.9 | 177.7 | 0.8 | 0 | 0 | 0 | 110.1 | E109 C120 L125 G126 | E109-N123 VanDerWaalsContact OE2-CA 3.25Å; E109-N123 WeakPolarHBondContact OE2-CA 3.45Å; E109-N123 VanDerWaalsContact OE2-CB 3.25Å; E109-N123 WeakPolarHBondContact OE2-CB 3.35Å; C120-N123 HydrophobicContact CB-CB 4.23Å; C120-N123 WeakPolarHBondContact O-CB 3.21Å; C120-N123 PolarHBondContact O-N 3.45Å; N123-L125 PolarHBondContact O-N 3.16Å; N123-L125 WeakPolarHBondContact OD1-CA 3.33Å; N123-L125 WeakPolarHBondContact OD1-CB 3Å; N123-L125 PolarHBondContact OD1-N 2.9Å; N123-G126 PolarHBondContact ND2-O 3.17Å; N123-G126 PolarHBondContact O-N 3.46Å | ||
| 124 | M | 73 | Confident | 72.5 | Confident | 180 Ų | 180 | 110 Ų | 110 | 89% | 0.887 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.3 | -12.1 | -179.1 | -65.5 | -67.7 | -68.4 | 0 | 0 | 113.1 | K122 | K122-M124 PolarHBondContact O-N 2.89Š|
| 125 | L | 68.7 | Low | 72.3 | Confident | 107 Ų | 107 | 116.1 Ų | 116.1 | 56% | 0.56 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 5.4 | -178.5 | -63.5 | 166.5 | 0 | 0 | 0 | 113 | N123 | N123-L125 PolarHBondContact O-N 3.16Å; N123-L125 WeakPolarHBondContact OD1-CA 3.33Å; N123-L125 WeakPolarHBondContact OD1-CB 3Å; N123-L125 PolarHBondContact OD1-N 2.9Å |
| 126 | G | 67.4 | Low | 71.7 | Confident | 38 Ų | 38 | 123.8 Ų | 123.8 | 39% | 0.392 | 61% | 0.614 | S | S | . | * | trans | 72.1 | -179.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | N123 R128 | N123-G126 PolarHBondContact ND2-O 3.17Å; N123-G126 PolarHBondContact O-N 3.46Å; G126-R128 PolarHBondContact O-N 2.8Å; G126-R128 VanDerWaalsContact O-N 3.13Å | ||
| 127 | E | 65.7 | Low | 71 | Confident | 200 Ų | 200 | 129.9 Ų | 129.9 | 94% | 0.935 | 64% | 0.637 | S | S | * | * | trans | -67.9 | 108.3 | 177.6 | -65.4 | -177.3 | -178.7 | 0 | 0 | 110.2 | ||||
| 128 | R | 70.4 | Confident | 70 | Confident | 141 Ų | 141 | 138.3 Ų | 138.3 | 53% | 0.532 | 67% | 0.671 | S | S | . | * | P | Polyproline II helix | trans | -97.7 | 127.4 | 172.7 | -68.2 | 179.5 | 176.8 | -157.7 | -5.2 | 109.1 | Y118 G126 | Y118-R128 HydrophobicContact CD1-CB 4.44Å; G126-R128 PolarHBondContact O-N 2.8Å; G126-R128 VanDerWaalsContact O-N 3.13Å |
| 129 | E | 65.9 | Low | 68.9 | Low | 175 Ų | 175 | 141.5 Ų | 141.5 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 126.9 | 173.6 | -68.8 | -171.1 | 174.1 | 0 | 0 | 110 | ||
| 130 | P | 69.8 | Low | 67.8 | Low | 98 Ų | 98 | 147.6 Ų | 147.6 | 64% | 0.636 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 143.7 | 177.2 | 24.5 | -32.3 | 0 | 0 | 0 | 109.8 | K132 | P130-K132 PolarHBondContact O-N 3.2Š|
| 131 | P | 71.9 | Confident | 66.2 | Low | 105 Ų | 105 | 156.7 Ų | 156.7 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 132.1 | 179.7 | 23.7 | -33.5 | 0 | 0 | 0 | 110.2 | K133 | P131-K133 PolarHBondContact O-N 2.92Š|
| 132 | K | 78.3 | Confident | 64.8 | Low | 196 Ų | 196 | 155.2 Ų | 155.2 | 85% | 0.852 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 125 | 178 | -68.5 | -177.8 | -179.4 | 177.1 | 0 | 109.2 | P130 K134 | P130-K132 PolarHBondContact O-N 3.2Å; K132-K134 PolarHBondContact O-N 3.15Å; K132-K134 VanDerWaalsContact O-N 3.08Å |
| 133 | K | 70.6 | Confident | 63.4 | Low | 198 Ų | 198 | 155.1 Ų | 155.1 | 86% | 0.861 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 119.7 | 174.7 | -75.5 | 179.6 | -179.8 | 171.4 | 0 | 108 | P131 E135 | P131-K133 PolarHBondContact O-N 2.92Å; K133-E135 PolarHBondContact O-N 3.02Å |
| 134 | K | 72 | Confident | 62.2 | Low | 201 Ų | 201 | 162.1 Ų | 162.1 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -55.9 | 113.6 | 171.9 | -70.4 | -174.9 | 179.4 | -179.5 | 0 | 107.7 | K132 K136 | K132-K134 PolarHBondContact O-N 3.15Å; K132-K134 VanDerWaalsContact O-N 3.08Å; K134-K136 PolarHBondContact O-N 3.27Å; K134-K136 VanDerWaalsContact O-N 3.15Å | ||
| 135 | E | 72.3 | Confident | 60.9 | Low | 184 Ų | 184 | 159.5 Ų | 159.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -57.7 | 123.4 | 172.9 | -67.2 | -167.9 | 142.4 | 0 | 0 | 107.9 | K133 K137 | K133-E135 PolarHBondContact O-N 3.02Å; E135-K137 PolarHBondContact O-N 3.24Å | ||
| 136 | K | 65 | Low | 59.7 | Low | 202 Ų | 202 | 163.2 Ų | 163.2 | 88% | 0.878 | 79% | 0.791 | S | S | * | * | trans | -64.9 | 105 | 169.5 | -68.1 | -176.3 | -179.9 | -178.4 | 0 | 105.8 | K134 K138 | K134-K136 PolarHBondContact O-N 3.27Å; K134-K136 VanDerWaalsContact O-N 3.15Å; K136-K138 VanDerWaalsContact C-N 3.32Å; K136-K138 PolarHBondContact O-N 3.26Å | ||
| 137 | K | 59.3 | Low | 58.3 | Low | 203 Ų | 203 | 170.5 Ų | 170.5 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | trans | -53.2 | 102 | 166.4 | -72.6 | -173.7 | 177.9 | -177.3 | 0 | 106.6 | E135 K139 | E135-K137 PolarHBondContact O-N 3.24Å; K137-K139 PolarHBondContact O-N 2.83Å; K137-K139 VanDerWaalsContact O-N 3.1Å | ||
| 138 | K | 52.8 | Low | 56.8 | Low | 196 Ų | 196 | 169.5 Ų | 169.5 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -57.9 | 118.1 | 163.5 | -73.5 | -178 | 179.4 | 176.2 | 0 | 104 | K136 K140 | K136-K138 VanDerWaalsContact C-N 3.32Å; K136-K138 PolarHBondContact O-N 3.26Å; K138-K140 VanDerWaalsContact C-N 3.28Å; K138-K140 PolarHBondContact O-N 2.99Å | ||
| 139 | K | 50.9 | Low | 55.2 | Low | 207 Ų | 207 | 170.7 Ų | 170.7 | 90% | 0.9 | 83% | 0.826 | S | S | * | * | trans | -55 | 104.7 | 164.8 | -74 | -173.1 | 176 | -173 | 0 | 105 | K137 K141 | K137-K139 PolarHBondContact O-N 2.83Å; K137-K139 VanDerWaalsContact O-N 3.1Å; K139-K141 PolarHBondContact O-N 3.08Å; K139-K141 VanDerWaalsContact O-N 3.08Å | ||
| 140 | K | 46.4 | Very low | 53.8 | Low | 201 Ų | 201 | 170.9 Ų | 170.9 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 117 | 166.9 | -73.7 | -174.6 | 177.5 | -177.7 | 0 | 103.9 | K138 A142 | K138-K140 VanDerWaalsContact C-N 3.28Å; K138-K140 PolarHBondContact O-N 2.99Å; K140-A142 PolarHBondContact O-N 3.28Å; K140-A142 VanDerWaalsContact O-N 3.14Å |
| 141 | K | 43.2 | Very low | 52.4 | Low | 198 Ų | 198 | 175.4 Ų | 175.4 | 86% | 0.861 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 116.5 | 167.5 | -155 | -177.7 | -178.3 | -160.1 | 0 | 103.9 | K139 | K139-K141 PolarHBondContact O-N 3.08Å; K139-K141 VanDerWaalsContact O-N 3.08Å |
| 142 | A | 49.8 | Very low | 50.5 | Low | 80 Ų | 80 | 176.3 Ų | 176.3 | 66% | 0.661 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 135.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | K140 E144 | K140-A142 PolarHBondContact O-N 3.28Å; K140-A142 VanDerWaalsContact O-N 3.14Å; A142-E144 PolarHBondContact O-N 2.87Å |
| 143 | P | 44.3 | Very low | 48.3 | Very low | 122 Ų | 122 | 175.7 Ų | 175.7 | 79% | 0.792 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132.9 | 165.7 | 27.1 | -30.5 | 0 | 0 | 0 | 107.8 | ||
| 144 | E | 48.6 | Very low | 46.7 | Very low | 173 Ų | 173 | 175 Ų | 175 | 81% | 0.808 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 132.3 | 168.5 | -65.3 | -170.9 | 172.4 | 0 | 0 | 107.4 | A142 E146 | A142-E144 PolarHBondContact O-N 2.87Å; E144-E146 PolarHBondContact O-N 3.11Å |
| 145 | P | 44.8 | Very low | 44.8 | Very low | 124 Ų | 124 | 171.1 Ų | 171.1 | 81% | 0.805 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 122.6 | 173.8 | 27.1 | -29.9 | 0 | 0 | 0 | 108.7 | ||
| 146 | E | 44 | Very low | 43.4 | Very low | 185 Ų | 185 | 171.3 Ų | 171.3 | 86% | 0.864 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 128.9 | 166 | -66.3 | 174.8 | 174.9 | 0 | 0 | 107.5 | E144 E148 | E144-E146 PolarHBondContact O-N 3.11Å; E146-E148 PolarHBondContact O-N 3.45Å; E146-E148 VanDerWaalsContact O-N 3.15Å |
| 147 | E | 38 | Very low | 42.1 | Very low | 191 Ų | 191 | 169.3 Ų | 169.3 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | -72.1 | 100 | 174.9 | -70.2 | 179.1 | 168.8 | 0 | 0 | 109 | ||||
| 148 | E | 35.2 | Very low | 41.3 | Very low | 180 Ų | 180 | 168.4 Ų | 168.4 | 84% | 0.841 | 84% | 0.84 | S | S | * | * | trans | -91 | 110.4 | 155.5 | -83.2 | -179.7 | 162.3 | 0 | 0 | 108 | E146 E150 | E146-E148 PolarHBondContact O-N 3.45Å; E146-E148 VanDerWaalsContact O-N 3.15Å; E148-E150 PolarHBondContact O-N 3.25Å | ||
| 149 | I | 36.7 | Very low | 40.9 | Very low | 166 Ų | 166 | 162.7 Ų | 162.7 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | trans | -75.4 | 102.2 | 167.3 | 29.9 | 164.3 | 0 | 0 | 0 | 108.4 | ||||
| 150 | E | 35.5 | Very low | 40.2 | Very low | 179 Ų | 179 | 161.8 Ų | 161.8 | 84% | 0.836 | 84% | 0.835 | S | S | * | * | trans | -102.2 | 115.3 | 158.4 | -80.3 | -171.6 | 157.3 | 0 | 0 | 109 | E148 | E148-E150 PolarHBondContact O-N 3.25Š| ||
| 151 | E | 40.1 | Very low | 40.1 | Very low | 192 Ų | 192 | 160 Ų | 160 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | -76.7 | 112.6 | 163.1 | -69 | 178 | 156.2 | 0 | 0 | 108.7 | ||||
| 152 | V | 32.6 | Very low | 40.2 | Very low | 125 Ų | 125 | 155.5 Ų | 155.5 | 76% | 0.758 | 83% | 0.826 | S | S | * | * | trans | -152 | 112.4 | 153.5 | -171.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 153 | E | 31.5 | Very low | 40.4 | Very low | 183 Ų | 183 | 156.1 Ų | 156.1 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | 57.5 | 133.6 | 143.9 | -61.4 | -167.2 | 160.4 | 0 | 0 | 125.1 | ||||
| 154 | E | 37.9 | Very low | 41 | Very low | 182 Ų | 182 | 156.4 Ų | 156.4 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -43.9 | 135.7 | 159.1 | -72.7 | 168 | 135.9 | 0 | 0 | 113.4 | ||||
| 155 | S | 32.6 | Very low | 41.4 | Very low | 120 Ų | 120 | 155.8 Ų | 155.8 | 84% | 0.839 | 83% | 0.828 | S | S | * | * | trans | -144.6 | 123.2 | 141.2 | 49.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 156 | E | 41.1 | Very low | 43.1 | Very low | 189 Ų | 189 | 152.6 Ų | 152.6 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -74 | 119.9 | 172.4 | -57.1 | 173.4 | 144.3 | 0 | 0 | 108.1 | ||||
| 157 | D | 38.5 | Very low | 44.2 | Very low | 160 Ų | 160 | 150.5 Ų | 150.5 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | -153.4 | 143.6 | 156.2 | -159.2 | -140.6 | 0 | 0 | 0 | 111 | ||||
| 158 | E | 42.3 | Very low | 45.9 | Very low | 183 Ų | 183 | 145 Ų | 145 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | -80.6 | 140.3 | -159.3 | -60.9 | -146.1 | 153.2 | 0 | 0 | 115.2 | ||||
| 159 | G | 44.9 | Very low | 47.9 | Very low | 76 Ų | 76 | 142 Ų | 142 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 70.8 | 81.8 | 139.2 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 160 | E | 36 | Very low | 49.7 | Very low | 188 Ų | 188 | 136.1 Ų | 136.1 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | trans | -138.7 | 125.1 | 152 | -69.9 | -169.6 | 167.3 | 0 | 0 | 110.8 | P162 | E160-P162 WeakPolarHBondContact O-CD 3.27Š| ||
| 161 | D | 44.5 | Very low | 51.9 | Low | 163 Ų | 163 | 131.3 Ų | 131.3 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | trans | -69.7 | 104.5 | -177.5 | -146.3 | -12.1 | 0 | 0 | 0 | 110.1 | A163 | D161-A163 PolarHBondContact O-N 3.41Š| ||
| 162 | P | 45.9 | Very low | 53.9 | Low | 104 Ų | 104 | 124.7 Ų | 124.7 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | trans | -98.2 | 72.1 | -167.9 | 35.4 | -25.6 | 0 | 0 | 0 | 110.3 | E160 L164 | E160-P162 WeakPolarHBondContact O-CD 3.27Å; P162-L164 VanDerWaalsContact C-N 3.35Å; P162-L164 PolarHBondContact O-N 2.96Å | ||
| 163 | A | 53.3 | Low | 56.2 | Low | 93 Ų | 93 | 125.4 Ų | 125.4 | 77% | 0.769 | 70% | 0.698 | S | S | * | * | trans | -69.1 | 95.5 | 163 | 0 | 0 | 0 | 0 | 0 | 109.7 | D161 | D161-A163 PolarHBondContact O-N 3.41Š| ||
| 164 | L | 56 | Low | 58.6 | Low | 129 Ų | 129 | 122.9 Ų | 122.9 | 68% | 0.675 | 69% | 0.686 | S | S | * | * | trans | 85.9 | 74 | 155 | -48.8 | 174.5 | 0 | 0 | 0 | 118.9 | P162 | P162-L164 VanDerWaalsContact C-N 3.35Å; P162-L164 PolarHBondContact O-N 2.96Å | ||
| 165 | D | 58.9 | Low | 60.7 | Low | 160 Ų | 160 | 120.1 Ų | 120.1 | 86% | 0.856 | 67% | 0.673 | S | S | * | * | trans | -119 | 6.3 | 169.7 | -154.6 | 30 | 0 | 0 | 0 | 116 | ||||
| 166 | S | 80.3 | Confident | 63.1 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 39% | 0.392 | 65% | 0.654 | S | S | . | * | trans | -134.6 | 130.6 | 172.4 | -165.9 | 0 | 0 | 0 | 0 | 113.1 | S168 Q169 A170 | S166-S168 PolarHBondContact O-N 3.5Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-S168 PolarHBondContact OG-OG 2.86Å; S166-S168 VanDerWaalsContact OG-OG 3.07Å; S166-Q169 PolarHBondContact O-N 2.79Å; S166-A170 PolarHBondContact O-N 3.25Å; S166-A170 VanDerWaalsContact O-N 3.13Å | ||
| 167 | L | 66.8 | Low | 65.2 | Low | 142 Ų | 142 | 113.7 Ų | 113.7 | 74% | 0.743 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -56.2 | -31.2 | 177.7 | -165 | 102.5 | 0 | 0 | 0 | 111.4 | A170 I171 | L167-A170 PolarHBondContact O-N 3.17Å; L167-I171 HydrophobicContact CD2-CD1 3.85Å; L167-I171 HydrophobicContact CG-CD1 4.14Å; L167-I171 WeakPolarHBondContact O-CB 3.17Å; L167-I171 WeakPolarHBondContact O-CD1 3.23Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L167-I171 PolarHBondContact O-N 3.44Å |
| 168 | S | 72.7 | Confident | 67.3 | Low | 76 Ų | 76 | 109.6 Ų | 109.6 | 53% | 0.531 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.8 | -40.4 | 176.7 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | S166 I171 A172 | S166-S168 PolarHBondContact O-N 3.5Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-S168 PolarHBondContact OG-OG 2.86Å; S166-S168 VanDerWaalsContact OG-OG 3.07Å; S168-I171 PolarHBondContact O-N 3.09Å; S168-A172 WeakPolarHBondContact O-CB 3.36Å; S168-A172 PolarHBondContact O-N 2.92Å |
| 169 | Q | 78.1 | Confident | 69.1 | Low | 116 Ų | 116 | 105.8 Ų | 105.8 | 54% | 0.542 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.6 | -38.6 | 176.4 | -80.4 | 175.7 | -2.2 | 0 | 0 | 111.9 | S166 I171 A172 F173 | S166-Q169 PolarHBondContact O-N 2.79Å; Q169-I171 VanDerWaalsContact C-N 3.32Å; Q169-I171 PolarHBondContact O-N 3.01Å; Q169-A172 PolarHBondContact O-N 3.35Å; Q169-F173 WeakPolarHBondContact O-CB 3.43Å; Q169-F173 PolarHBondContact O-N 3.2Å |
| 170 | A | 74.6 | Confident | 70.7 | Confident | 43 Ų | 43 | 108.9 Ų | 108.9 | 36% | 0.355 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62 | -40.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S166 L167 Q174 | S166-A170 PolarHBondContact O-N 3.25Å; S166-A170 VanDerWaalsContact O-N 3.13Å; L167-A170 PolarHBondContact O-N 3.17Å; A170-Q174 WeakPolarHBondContact O-CB 3.33Å; A170-Q174 PolarHBondContact O-N 2.87Å; A170-Q174 VanDerWaalsContact O-N 3.07Å |
| 171 | I | 81.4 | Confident | 72.5 | Confident | 78 Ų | 78 | 106 Ų | 106 | 40% | 0.4 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.6 | -43.8 | 175.3 | -68.1 | 162.9 | 0 | 0 | 0 | 110.8 | L167 S168 Q169 Q174 Q175 | L167-I171 HydrophobicContact CD2-CD1 3.85Å; L167-I171 HydrophobicContact CG-CD1 4.14Å; L167-I171 WeakPolarHBondContact O-CB 3.17Å; L167-I171 WeakPolarHBondContact O-CD1 3.23Å; L167-I171 WeakPolarHBondContact O-CG1 3.37Å; L167-I171 PolarHBondContact O-N 3.44Å; S168-I171 PolarHBondContact O-N 3.09Å; Q169-I171 VanDerWaalsContact C-N 3.32Å; Q169-I171 PolarHBondContact O-N 3.01Å; I171-Q174 PolarHBondContact O-N 2.99Å; I171-Q175 HydrophobicContact CG2-CG 4.46Å; I171-Q175 WeakPolarHBondContact O-CB 3.41Å; I171-Q175 WeakPolarHBondContact O-CG 3.06Å; I171-Q175 PolarHBondContact O-N 3.27Å |
| 172 | A | 81.9 | Confident | 73.6 | Confident | 53 Ų | 53 | 104.3 Ų | 104.3 | 44% | 0.438 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.4 | -43.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | S168 Q169 Q175 A176 | S168-A172 WeakPolarHBondContact O-CB 3.36Å; S168-A172 PolarHBondContact O-N 2.92Å; Q169-A172 PolarHBondContact O-N 3.35Å; A172-Q175 PolarHBondContact O-N 2.81Å; A172-A176 WeakPolarHBondContact O-CB 3.38Å; A172-A176 PolarHBondContact O-N 3.13Å |
| 173 | F | 80.9 | Confident | 74.7 | Confident | 140 Ų | 140 | 105.7 Ų | 105.7 | 61% | 0.614 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.7 | -42.9 | 177.1 | -172.9 | -98.3 | 0 | 0 | 0 | 112 | Q169 Q175 A176 K177 | Q169-F173 WeakPolarHBondContact O-CB 3.43Å; Q169-F173 PolarHBondContact O-N 3.2Å; F173-Q175 VanDerWaalsContact C-N 3.34Å; F173-Q175 PolarHBondContact O-N 2.8Å; F173-A176 PolarHBondContact O-N 2.84Å; F173-K177 WeakPolarHBondContact O-CB 3.39Å; F173-K177 PolarHBondContact O-N 3.16Å |
| 174 | Q | 82.5 | Confident | 75.3 | Confident | 130 Ų | 130 | 110.5 Ų | 110.5 | 61% | 0.607 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.5 | -37.8 | 177.5 | -169.5 | 175.8 | -27.9 | 0 | 0 | 111.9 | A170 I171 I178 | A170-Q174 WeakPolarHBondContact O-CB 3.33Å; A170-Q174 PolarHBondContact O-N 2.87Å; A170-Q174 VanDerWaalsContact O-N 3.07Å; I171-Q174 PolarHBondContact O-N 2.99Å; Q174-I178 HydrophobicContact CG-CD1 4.21Å; Q174-I178 WeakPolarHBondContact O-CD1 3.38Å; Q174-I178 VanDerWaalsContact O-CG1 3.24Å; Q174-I178 WeakPolarHBondContact O-CG1 3.32Å; Q174-I178 PolarHBondContact O-N 3.19Å; Q174-I178 VanDerWaalsContact O-N 3.16Å |
| 175 | Q | 80.6 | Confident | 74.9 | Confident | 123 Ų | 123 | 114.9 Ų | 114.9 | 58% | 0.575 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.5 | -41.4 | 175.8 | -75.1 | 179.8 | 0.4 | 0 | 0 | 112.4 | I171 A172 F173 K177 I178 E179 | I171-Q175 HydrophobicContact CG2-CG 4.46Å; I171-Q175 WeakPolarHBondContact O-CB 3.41Å; I171-Q175 WeakPolarHBondContact O-CG 3.06Å; I171-Q175 PolarHBondContact O-N 3.27Å; A172-Q175 PolarHBondContact O-N 2.81Å; F173-Q175 VanDerWaalsContact C-N 3.34Å; F173-Q175 PolarHBondContact O-N 2.8Å; Q175-K177 VanDerWaalsContact C-N 3.33Å; Q175-K177 PolarHBondContact O-N 3.13Å; Q175-I178 PolarHBondContact O-N 3.26Å; Q175-E179 PolarHBondContact O-N 3.28Å |
| 176 | A | 83.7 | Confident | 74.3 | Confident | 53 Ų | 53 | 115.5 Ų | 115.5 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.9 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A172 F173 I178 E179 E180 | A172-A176 WeakPolarHBondContact O-CB 3.38Å; A172-A176 PolarHBondContact O-N 3.13Å; F173-A176 PolarHBondContact O-N 2.84Å; A176-I178 PolarHBondContact O-N 2.96Å; A176-E179 WeakPolarHBondContact O-CB 3.46Å; A176-E179 PolarHBondContact O-N 3.49Å; A176-E180 PolarHBondContact O-N 3.02Å |
| 177 | K | 84.5 | Confident | 72.5 | Confident | 121 Ų | 121 | 118.6 Ų | 118.6 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65 | -39.7 | 177.9 | -163.3 | 173.4 | -176 | 175.1 | 0 | 112.7 | F173 Q175 E179 E180 E181 | F173-K177 WeakPolarHBondContact O-CB 3.39Å; F173-K177 PolarHBondContact O-N 3.16Å; Q175-K177 VanDerWaalsContact C-N 3.33Å; Q175-K177 PolarHBondContact O-N 3.13Å; K177-E179 VanDerWaalsContact C-N 3.35Å; K177-E180 PolarHBondContact O-N 2.97Å; K177-E181 PolarHBondContact O-N 3.03Å; K177-E181 VanDerWaalsContact O-N 3.08Å |
| 178 | I | 82.8 | Confident | 71.2 | Confident | 74 Ų | 74 | 117.3 Ų | 117.3 | 38% | 0.379 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.8 | -39.1 | 174.7 | -68.8 | 165.4 | 0 | 0 | 0 | 110.6 | Q174 Q175 A176 E181 Q182 | Q174-I178 HydrophobicContact CG-CD1 4.21Å; Q174-I178 WeakPolarHBondContact O-CD1 3.38Å; Q174-I178 VanDerWaalsContact O-CG1 3.24Å; Q174-I178 WeakPolarHBondContact O-CG1 3.32Å; Q174-I178 PolarHBondContact O-N 3.19Å; Q174-I178 VanDerWaalsContact O-N 3.16Å; Q175-I178 PolarHBondContact O-N 3.26Å; A176-I178 PolarHBondContact O-N 2.96Å; I178-E181 PolarHBondContact O-N 3.29Å; I178-Q182 HydrophobicContact CG2-CG 4.48Å; I178-Q182 WeakPolarHBondContact O-CB 3.07Å; I178-Q182 VanDerWaalsContact O-CG 3.3Å; I178-Q182 WeakPolarHBondContact O-CG 3.25Å; I178-Q182 PolarHBondContact O-N 2.82Å |
| 179 | E | 80.3 | Confident | 69.6 | Low | 104 Ų | 104 | 119.7 Ų | 119.7 | 49% | 0.486 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.8 | -41.9 | 176 | -99.9 | -156.6 | -172.7 | 0 | 0 | 112.9 | Q175 A176 K177 Q182 K183 | Q175-E179 PolarHBondContact O-N 3.28Å; A176-E179 WeakPolarHBondContact O-CB 3.46Å; A176-E179 PolarHBondContact O-N 3.49Å; K177-E179 VanDerWaalsContact C-N 3.35Å; E179-Q182 PolarHBondContact O-N 3.42Å; E179-K183 WeakPolarHBondContact O-CB 3.14Å; E179-K183 WeakPolarHBondContact O-CG 3.31Å; E179-K183 PolarHBondContact O-N 2.91Å; E179-K183 IonicContact OE2-NZ 2.88Å; E179-K183 PolarHBondContact OE2-NZ 2.95Å |
| 180 | E | 78.2 | Confident | 67.5 | Low | 140 Ų | 140 | 117.9 Ų | 117.9 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.2 | -41.7 | 175.5 | -77.2 | -169.3 | 153.2 | 0 | 0 | 111.6 | A176 K177 K183 K184 | A176-E180 PolarHBondContact O-N 3.02Å; K177-E180 PolarHBondContact O-N 2.97Å; E180-K183 PolarHBondContact O-N 3.27Å; E180-K184 VanDerWaalsContact O-CB 3.3Å; E180-K184 WeakPolarHBondContact O-CB 3.35Å; E180-K184 PolarHBondContact O-N 2.98Å |
| 181 | E | 74.3 | Confident | 65.5 | Low | 129 Ų | 129 | 119.6 Ų | 119.6 | 60% | 0.603 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -63.3 | -40.6 | 173.9 | -78.9 | -172.7 | 159 | 0 | 0 | 112.1 | K177 I178 K184 W185 | K177-E181 PolarHBondContact O-N 3.03Å; K177-E181 VanDerWaalsContact O-N 3.08Å; I178-E181 PolarHBondContact O-N 3.29Å; E181-K184 PolarHBondContact O-N 3.32Å; E181-W185 WeakPolarHBondContact O-CB 3.25Å; E181-W185 PolarHBondContact O-N 3.45Å |
| 182 | Q | 67.7 | Low | 63.8 | Low | 126 Ų | 126 | 121.9 Ų | 121.9 | 59% | 0.589 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -67.2 | -36.4 | 175.6 | -75.1 | -177.9 | 12.8 | 0 | 0 | 112.5 | I178 E179 W185 | I178-Q182 HydrophobicContact CG2-CG 4.48Å; I178-Q182 WeakPolarHBondContact O-CB 3.07Å; I178-Q182 VanDerWaalsContact O-CG 3.3Å; I178-Q182 WeakPolarHBondContact O-CG 3.25Å; I178-Q182 PolarHBondContact O-N 2.82Å; E179-Q182 PolarHBondContact O-N 3.42Å; Q182-W185 PolarHBondContact O-N 3.4Å |
| 183 | K | 68.8 | Low | 61.6 | Low | 134 Ų | 134 | 124.9 Ų | 124.9 | 58% | 0.583 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -67 | -40 | 173.4 | -79.4 | 164.3 | 177.3 | 152.5 | 0 | 111 | E179 E180 W185 K186 | E179-K183 WeakPolarHBondContact O-CB 3.14Å; E179-K183 WeakPolarHBondContact O-CG 3.31Å; E179-K183 PolarHBondContact O-N 2.91Å; E179-K183 IonicContact OE2-NZ 2.88Å; E179-K183 PolarHBondContact OE2-NZ 2.95Å; E180-K183 PolarHBondContact O-N 3.27Å; K183-W185 VanDerWaalsContact C-N 3.27Å; K183-W185 PolarHBondContact O-N 3.2Å; K183-K186 PolarHBondContact O-N 3.34Å |
| 184 | K | 66.3 | Low | 59.4 | Low | 193 Ų | 193 | 123.8 Ų | 123.8 | 84% | 0.839 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -66.1 | -27.8 | 175.8 | -170.3 | 172.6 | -177.9 | 177.4 | 0 | 112.8 | E180 E181 | E180-K184 VanDerWaalsContact O-CB 3.3Å; E180-K184 WeakPolarHBondContact O-CB 3.35Å; E180-K184 PolarHBondContact O-N 2.98Å; E181-K184 PolarHBondContact O-N 3.32Å |
| 185 | W | 46.8 | Very low | 57.6 | Low | 222 Ų | 222 | 123 Ų | 123 | 84% | 0.841 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 7.3 | -179.9 | -162.9 | -87.8 | 0 | 0 | 0 | 114.6 | E181 Q182 K183 P187 | E181-W185 WeakPolarHBondContact O-CB 3.25Å; E181-W185 PolarHBondContact O-N 3.45Å; Q182-W185 PolarHBondContact O-N 3.4Å; K183-W185 VanDerWaalsContact C-N 3.27Å; K183-W185 PolarHBondContact O-N 3.2Å; W185-P187 WeakPolarHBondContact O-CD 3.23Å |
| 186 | K | 46.4 | Very low | 55.6 | Low | 173 Ų | 173 | 124.3 Ų | 124.3 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | -83 | 108.5 | 175.3 | -73.4 | -167.9 | 178.4 | -171.6 | 0 | 111.9 | K183 | K183-K186 PolarHBondContact O-N 3.34Š| ||
| 187 | P | 43.6 | Very low | 54 | Low | 120 Ų | 120 | 129 Ų | 129 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 136.6 | 166.2 | 29.8 | -34.1 | 0 | 0 | 0 | 110.7 | W185 | W185-P187 WeakPolarHBondContact O-CD 3.23Š|
| 188 | S | 39 | Very low | 52.4 | Low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 142.8 | 172.5 | 59.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 189 | S | 39.4 | Very low | 50.9 | Low | 126 Ų | 126 | 135.9 Ų | 135.9 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 132.7 | 179.1 | 50.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 190 | G | 34.3 | Very low | 49.6 | Very low | 77 Ų | 77 | 142.3 Ų | 142.3 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 173.2 | 107.8 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 191 | G | 33 | Very low | 48.4 | Very low | 79 Ų | 79 | 141.8 Ų | 141.8 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -80.8 | -154.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 192 | P | 45.1 | Very low | 47.5 | Very low | 126 Ų | 126 | 147 Ų | 147 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | cis | -124 | 167.9 | -30.1 | 38.5 | -23.9 | 0 | 0 | 0 | 113.7 | ||||
| 193 | S | 35.7 | Very low | 47 | Very low | 117 Ų | 117 | 148.9 Ų | 148.9 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | 71.6 | 135.6 | 170.1 | -134.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 194 | T | 34.4 | Very low | 46.4 | Very low | 117 Ų | 117 | 152 Ų | 152 | 72% | 0.718 | 82% | 0.818 | S | S | * | * | cis | -153 | 161.4 | 40.7 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 195 | S | 45.7 | Very low | 45.8 | Very low | 112 Ų | 112 | 152.3 Ų | 152.3 | 78% | 0.783 | 82% | 0.82 | S | S | * | * | trans | -14.4 | 124.4 | 161.5 | 54.1 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 196 | D | 38.8 | Very low | 46.1 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | -164.2 | 117.1 | 125.8 | -157.1 | -123.5 | 0 | 0 | 0 | 110.6 | S198 | D196-S198 PolarHBondContact O-N 3.47Š| |||
| 197 | D | 48.8 | Very low | 46.2 | Very low | 153 Ų | 153 | 145 Ų | 145 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -77 | 109.1 | 172.4 | -176.8 | -84.9 | 0 | 0 | 0 | 107.9 | ||||
| 198 | S | 51.9 | Low | 46.8 | Very low | 87 Ų | 87 | 149.1 Ų | 149.1 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | trans | 176.2 | 112.5 | 155.1 | -86.4 | 0 | 0 | 0 | 0 | 112.5 | D196 | D196-S198 PolarHBondContact O-N 3.47Š| ||
| 199 | R | 51.6 | Low | 46.9 | Very low | 252 Ų | 252 | 153.1 Ų | 153.1 | 95% | 0.951 | 82% | 0.823 | S | S | * | * | trans | 170.9 | 79.8 | 135.4 | -89.9 | 163.2 | -136.4 | -154.3 | 5.4 | 110.3 | ||||
| 200 | R | 52.2 | Low | 47.1 | Very low | 238 Ų | 238 | 152.4 Ų | 152.4 | 90% | 0.898 | 82% | 0.819 | S | S | * | * | trans | -105.3 | 130 | 150 | -80.5 | -175.6 | 177.4 | -139.7 | 0.2 | 108 | R202 | R200-R202 PolarHBondContact O-N 2.09Š| ||
| 201 | P | 52.7 | Low | 47.8 | Very low | 129 Ų | 129 | 155.8 Ų | 155.8 | 84% | 0.838 | 82% | 0.818 | S | S | * | * | trans | -68.2 | 117 | 178.9 | 25.6 | -30.8 | 0 | 0 | 0 | 110.3 | ||||
| 202 | R | 56 | Low | 48.7 | Very low | 240 Ų | 240 | 160.7 Ų | 160.7 | 91% | 0.906 | 82% | 0.82 | S | S | * | * | trans | -75.5 | 121 | 171.6 | -82.2 | 169.8 | 85.9 | 148.7 | -1.5 | 109.1 | R200 K204 | R200-R202 PolarHBondContact O-N 2.09Å; R202-K204 PolarHBondContact O-N 2.96Å | ||
| 203 | I | 56.9 | Low | 49 | Very low | 165 Ų | 165 | 163.9 Ų | 163.9 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -61.4 | 115.4 | 169.8 | -62.3 | 164.1 | 0 | 0 | 0 | 107.9 | ||||
| 204 | K | 56 | Low | 49.9 | Very low | 199 Ų | 199 | 167.3 Ų | 167.3 | 87% | 0.865 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 125.9 | 173.2 | -66.7 | -178.2 | -179.5 | -179.8 | 0 | 108.6 | R202 | R202-K204 PolarHBondContact O-N 2.96Š|
| 205 | K | 53.7 | Low | 50.3 | Low | 200 Ų | 200 | 170.2 Ų | 170.2 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 129 | 168.4 | -72 | 176 | 178.2 | 177.3 | 0 | 108 | ||
| 206 | S | 52.7 | Low | 50.5 | Low | 106 Ų | 106 | 170.2 Ų | 170.2 | 74% | 0.741 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -62 | 131.7 | 177.5 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | Y208 | S206-Y208 PolarHBondContact O-N 2.91Š|
| 207 | T | 49.6 | Very low | 51.3 | Low | 135 Ų | 135 | 174.6 Ų | 174.6 | 83% | 0.828 | 86% | 0.861 | S | S | * | * | trans | -74.7 | 36.8 | 175.2 | 48.7 | 0 | 0 | 0 | 0 | 112.9 | F209 | T207-F209 VanDerWaalsContact C-N 3.28Å; T207-F209 PolarHBondContact O-N 2.99Å | ||
| 208 | Y | 54.4 | Low | 51.4 | Low | 207 Ų | 207 | 175.7 Ų | 175.7 | 81% | 0.812 | 86% | 0.863 | S | S | * | * | trans | -94.4 | 52.7 | -177.9 | -167.9 | -100.3 | 0 | 0 | 0 | 111.1 | S206 | S206-Y208 PolarHBondContact O-N 2.91Š| ||
| 209 | F | 41.8 | Very low | 51.4 | Low | 199 Ų | 199 | 180.4 Ų | 180.4 | 87% | 0.873 | 88% | 0.876 | S | S | * | * | trans | -167.5 | 66.7 | 167.8 | -122.4 | -83.4 | 0 | 0 | 0 | 107.5 | T207 | T207-F209 VanDerWaalsContact C-N 3.28Å; T207-F209 PolarHBondContact O-N 2.99Å | ||
| 210 | S | 43.5 | Very low | 51.4 | Low | 112 Ų | 112 | 176.4 Ų | 176.4 | 78% | 0.783 | 87% | 0.872 | S | S | * | * | trans | -109.8 | 108.3 | 162.6 | -89.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 211 | D | 50 | Low | 51.3 | Low | 148 Ų | 148 | 172.8 Ų | 172.8 | 79% | 0.791 | 87% | 0.871 | S | S | * | * | trans | -89.4 | 92 | 176.9 | -162.1 | 2.6 | 0 | 0 | 0 | 106.5 | ||||
| 212 | E | 50.5 | Low | 51.2 | Low | 182 Ų | 182 | 175.5 Ų | 175.5 | 85% | 0.85 | 87% | 0.873 | S | S | * | * | trans | -146.4 | 96.1 | 165.2 | -77.7 | -165.7 | 109.4 | 0 | 0 | 107.9 | ||||
| 213 | E | 53.2 | Low | 50.9 | Low | 193 Ų | 193 | 171.2 Ų | 171.2 | 90% | 0.902 | 87% | 0.871 | S | S | * | * | trans | -78.4 | 112.2 | 154.6 | -78.7 | -167 | 148.6 | 0 | 0 | 107.8 | ||||
| 214 | E | 53.1 | Low | 50.5 | Low | 189 Ų | 189 | 171.6 Ų | 171.6 | 88% | 0.883 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -68 | 127.6 | 166.5 | -80.6 | 176.6 | 137.6 | 0 | 0 | 110 | S216 | E214-S216 PolarHBondContact O-N 2.75Š|
| 215 | L | 42.2 | Very low | 50 | Low | 178 Ų | 178 | 169.5 Ų | 169.5 | 93% | 0.932 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -62 | 124.6 | 158.5 | -86.5 | 106.5 | 0 | 0 | 0 | 109.1 | ||
| 216 | S | 50.8 | Low | 49.7 | Very low | 112 Ų | 112 | 167 Ų | 167 | 78% | 0.783 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -90 | 131.9 | 161.6 | 58 | 0 | 0 | 0 | 0 | 110.2 | E214 | E214-S216 PolarHBondContact O-N 2.75Š|
| 217 | D | 55.2 | Low | 49.5 | Very low | 243 Ų | 243 | 172.5 Ų | 172.5 | 100% | 1.299 | 89% | 0.885 | S | S | * | * | trans | -33.4 | 0 | 178.8 | -87.5 | -68.1 | 0 | 0 | 0 | 117.4 |
Retrieved 217 of 217 residues in 82.1 ms
(Link to these results)