| 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 | 37.4 | Very low | 64.4 | Low | 246 Ų | 246 | 77.5 Ų | 77.5 | 100% | 1.212 | 49% | 0.487 | S | S | * | . | 0 | 64.5 | 0 | -67.8 | -174.7 | 171.3 | 0 | 0 | 110.9 | G3 | M1-G3 PolarHBondContact O-N 3.36Å; M1-G3 VanDerWaalsContact O-N 3.09Å | |||
| 2 | S | 35.8 | Very low | 67 | Low | 111 Ų | 111 | 71 Ų | 71 | 78% | 0.776 | 45% | 0.447 | S | S | * | . | trans | -86.3 | 66.3 | 171 | 54.3 | 0 | 0 | 0 | 0 | 109 | G4 | S2-G4 PolarHBondContact O-N 3.28Š| ||
| 3 | G | 45.1 | Very low | 69.1 | Low | 55 Ų | 55 | 71.2 Ų | 71.2 | 57% | 0.567 | 43% | 0.434 | S | S | * | . | trans | -57.9 | 130.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | M1 L5 | M1-G3 PolarHBondContact O-N 3.36Å; M1-G3 VanDerWaalsContact O-N 3.09Å; G3-L5 PolarHBondContact O-N 2.99Å | ||
| 4 | G | 52.8 | Low | 71 | Confident | 70 Ų | 70 | 66.1 Ų | 66.1 | 72% | 0.722 | 40% | 0.403 | S | S | * | . | trans | -48.4 | 117.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S2 A6 | S2-G4 PolarHBondContact O-N 3.28Å; G4-A6 PolarHBondContact O-N 3.11Å | ||
| 5 | L | 56.8 | Low | 72.5 | Confident | 74 Ų | 74 | 63 Ų | 63 | 39% | 0.387 | 39% | 0.386 | S | S | . | . | trans | -70.3 | 92.5 | 175.3 | -82.2 | 85 | 0 | 0 | 0 | 106.4 | G3 K38 L57 | G3-L5 PolarHBondContact O-N 2.99Å; L5-K38 HydrophobicContact CD1-CD 3.69Å; L5-K38 HydrophobicContact CD2-CB 4.32Å; L5-K38 HydrophobicContact CD2-CD 3.78Å; L5-K38 HydrophobicContact CD2-CG 4.32Å; L5-K38 HydrophobicContact CG-CD 4.4Å; L5-L57 HydrophobicContact CD2-CB 4.22Å; L5-L57 HydrophobicContact CD2-CD2 3.79Å | ||
| 6 | A | 62.8 | Low | 73.9 | Confident | 42 Ų | 42 | 64.4 Ų | 64.4 | 35% | 0.347 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 128.7 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | G4 S8 A92 I96 | G4-A6 PolarHBondContact O-N 3.11Å; A6-S8 PolarHBondContact O-N 3.31Å; A6-A92 HydrophobicContact CB-CB 4.33Å; A6-I96 HydrophobicContact CB-CD1 4.31Å |
| 7 | P | 67.1 | Low | 75.1 | Confident | 36 Ų | 36 | 61 Ų | 61 | 23% | 0.234 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 127.6 | 174.3 | -5 | 15.3 | 0 | 0 | 0 | 109.3 | A86 D88 | P7-A86 HydrophobicContact CB-CB 4.03Å; P7-D88 WeakPolarHBondContact CA-OD1 3.38Å; P7-D88 WeakPolarHBondContact CB-OD1 3.32Å; P7-D88 WeakPolarHBondContact CD-OD1 3.25Å; P7-D88 WeakPolarHBondContact CG-OD1 3.5Å |
| 8 | S | 79.8 | Confident | 76 | Confident | 40 Ų | 40 | 58.4 Ų | 58.4 | 28% | 0.28 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -103.4 | 167 | -179.8 | 61.3 | 0 | 0 | 0 | 0 | 109.2 | A6 S10 T11 L57 | A6-S8 PolarHBondContact O-N 3.31Å; S8-S10 PolarHBondContact O-N 2.95Å; S8-S10 PolarHBondContact OG-N 2.92Å; S8-S10 PolarHBondContact OG-OG 2.75Å; S8-T11 PolarHBondContact N-OG1 3.03Å; S8-T11 VanDerWaalsContact N-OG1 3.17Å; S8-T11 WeakPolarHBondContact O-CB 3.44Å; S8-T11 PolarHBondContact O-N 3.1Å; S8-T11 PolarHBondContact OG-N 3.23Å; S8-T11 PolarHBondContact OG-OG1 2.89Å; S8-L57 WeakPolarHBondContact OG-CD1 3.31Å |
| 9 | K | 85.9 | Confident | 76.8 | Confident | 152 Ų | 152 | 61.7 Ų | 61.7 | 66% | 0.661 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -13.9 | 169.5 | -62.4 | 179.6 | -177.2 | 176.2 | 0 | 113.1 | K61 | K9-K61 HydrophobicContact CB-CD 4.06Å; K9-K61 HydrophobicContact CB-CG 4.17Å |
| 10 | S | 92.1 | Very high | 77.5 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | 5.4 | 173.8 | 61.1 | 0 | 0 | 0 | 0 | 113.8 | S8 F58 | S8-S10 PolarHBondContact O-N 2.95Å; S8-S10 PolarHBondContact OG-N 2.92Å; S8-S10 PolarHBondContact OG-OG 2.75Å; S10-F58 PolarHBondContact O-N 3.28Å; S10-F58 PolarHBondContact OG-O 3.07Å |
| 11 | T | 93.3 | Very high | 78.1 | Confident | 7 Ų | 7 | 61.1 Ų | 61.1 | 4% | 0.043 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 128.9 | 176.3 | -52.7 | 0 | 0 | 0 | 0 | 110.2 | S8 F55 I56 L57 A86 | S8-T11 PolarHBondContact N-OG1 3.03Å; S8-T11 VanDerWaalsContact N-OG1 3.17Å; S8-T11 WeakPolarHBondContact O-CB 3.44Å; S8-T11 PolarHBondContact O-N 3.1Å; S8-T11 PolarHBondContact OG-N 3.23Å; S8-T11 PolarHBondContact OG-OG1 2.89Å; T11-F55 HydrophobicContact CG2-CB 4.21Å; T11-F55 HydrophobicContact CG2-CD1 4.23Å; T11-I56 CarbonylContact C-O 3.59Å; T11-I56 WeakPolarHBondContact CA-O 3.26Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.2Å; T11-A86 HydrophobicContact CG2-CB 3.79Å; T11-A86 WeakPolarHBondContact O-CB 3.33Å; T11-A86 PolarHBondContact O-N 3.11Å |
| 12 | V | 95.1 | Very high | 80.7 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.5 | 175.4 | -178 | 0 | 0 | 0 | 0 | 109.4 | V14 F55 I56 F58 A64 C67 A83 | V12-V14 HydrophobicContact CG1-CG2 3.91Å; V12-F55 WeakPolarHBondContact O-CA 3.5Å; V12-I56 PolarHBondContact N-O 2.89Å; V12-I56 PolarHBondContact O-N 3.09Å; V12-F58 HydrophobicContact CB-CE2 4.19Å; V12-F58 HydrophobicContact CG2-CD2 3.82Å; V12-F58 HydrophobicContact CG2-CE2 3.61Å; V12-A64 HydrophobicContact CG2-CB 3.64Å; V12-A64 WeakPolarHBondContact CG2-O 3.49Å; V12-C67 HydrophobicContact CG2-CB 4.46Å; V12-A83 HydrophobicContact CG1-CB 4.38Å |
| 13 | Y | 94.9 | Very high | 83.4 | Confident | 73 Ų | 73 | 51 Ų | 51 | 29% | 0.286 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 125.7 | 168.5 | 172.7 | -100.6 | 0 | 0 | 0 | 109.3 | V53 F55 A83 S84 | Y13-V53 HydrophobicContact CD2-CG1 4.04Å; Y13-V53 HydrophobicContact CE2-CG1 3.3Å; Y13-F55 HydrophobicContact CD2-CD1 4.33Å; Y13-F55 AromaticContact CD2-CE1 3.65Å; Y13-F55 HydrophobicContact CD2-CE1 3.65Å; Y13-F55 HydrophobicContact CD2-CE2 4.32Å; Y13-F55 AromaticContact CD2-CZ 3.64Å; Y13-F55 HydrophobicContact CD2-CZ 3.64Å; Y13-F55 HydrophobicContact CE2-CE1 4.49Å; Y13-F55 HydrophobicContact CE2-CZ 4.05Å; Y13-F55 HydrophobicContact CG-CE1 4.49Å; Y13-A83 WeakPolarHBondContact O-CA 3.19Å; Y13-S84 PolarHBondContact N-O 2.89Å; Y13-S84 PolarHBondContact O-N 3.32Å |
| 14 | V | 95.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 129.1 | 177.6 | -168.9 | 0 | 0 | 0 | 0 | 109 | V12 L17 F30 V53 A54 I56 I81 K82 | V12-V14 HydrophobicContact CG1-CG2 3.91Å; V14-L17 HydrophobicContact CB-CD1 4.06Å; V14-L17 HydrophobicContact CB-CG 4.49Å; V14-L17 HydrophobicContact CG1-CD1 3.86Å; V14-L17 HydrophobicContact CG1-CD2 3.79Å; V14-L17 HydrophobicContact CG1-CG 3.78Å; V14-F30 HydrophobicContact CB-CZ 4.45Å; V14-F30 HydrophobicContact CG1-CZ 4.15Å; V14-F30 HydrophobicContact CG2-CE1 3.71Å; V14-F30 HydrophobicContact CG2-CZ 3.69Å; V14-V53 WeakPolarHBondContact O-CA 2.97Å; V14-A54 PolarHBondContact N-O 3.12Å; V14-A54 PolarHBondContact O-N 3.41Å; V14-I56 HydrophobicContact CG2-CD1 4.2Å; V14-I81 HydrophobicContact CG1-CD1 4.37Å; V14-K82 WeakPolarHBondContact CA-O 3.42Å |
| 15 | S | 94.4 | Very high | 87.7 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 14% | 0.14 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 162.2 | -179.1 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | L17 K82 | S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.39Å; S15-K82 PolarHBondContact N-O 2.83Å; S15-K82 PolarHBondContact O-N 2.92Å; S15-K82 VanDerWaalsContact O-N 3.1Å; S15-K82 WeakPolarHBondContact OG-CB 3.36Å; S15-K82 PolarHBondContact OG-O 2.98Å |
| 16 | N | 94.3 | Very high | 89.4 | Confident | 85 Ų | 85 | 48.4 Ų | 48.4 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 62.3 | 33.3 | -175.1 | -158.8 | 37.4 | 0 | 0 | 0 | 113.9 | G52 V80 | N16-G52 PolarHBondContact N-O 2.93Å; N16-G52 VanDerWaalsContact N-O 3.13Å; N16-V80 PolarHBondContact ND2-O 2.83Å |
| 17 | L | 93.7 | Very high | 91 | Very high | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | trans | -72 | 145.6 | 174.3 | -70.8 | 167.2 | 0 | 0 | 0 | 111.1 | V14 S15 L21 L26 G52 A54 I81 | V14-L17 HydrophobicContact CB-CD1 4.06Å; V14-L17 HydrophobicContact CB-CG 4.49Å; V14-L17 HydrophobicContact CG1-CD1 3.86Å; V14-L17 HydrophobicContact CG1-CD2 3.79Å; V14-L17 HydrophobicContact CG1-CG 3.78Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.39Å; L17-L21 HydrophobicContact CD2-CD1 4.09Å; L17-L26 HydrophobicContact CD1-CD1 4.32Å; L17-L26 HydrophobicContact CD1-CD2 4Å; L17-L26 HydrophobicContact CD2-CD2 4.12Å; L17-G52 PolarHBondContact N-O 2.83Å; L17-G52 WeakPolarHBondContact O-CA 3.48Å; L17-A54 HydrophobicContact CD1-CB 3.63Å; L17-I81 HydrophobicContact CD2-CG2 3.91Å | ||
| 18 | P | 92.1 | Very high | 92.3 | Very high | 15 Ų | 15 | 58 Ų | 58 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | trans | -62.9 | 137.8 | 169.9 | 27.6 | -35.6 | 0 | 0 | 0 | 110.9 | A20 L21 F77 | P18-A20 PolarHBondContact O-N 3.25Å; P18-L21 HydrophobicContact CG-CD1 3.43Å; P18-L21 VanDerWaalsContact CG-CD1 3.43Å; P18-L21 HydrophobicContact CG-CG 3.72Å; P18-L21 PolarHBondContact O-N 3.5Å; P18-L21 VanDerWaalsContact O-N 3.17Å; P18-F77 HydrophobicContact CB-CB 4.49Å; P18-F77 HydrophobicContact CG-CB 4.14Å; P18-F77 HydrophobicContact CG-CD2 3.96Å; P18-F77 HydrophobicContact CG-CG 4.37Å | ||
| 19 | F | 91.3 | Very high | 92.9 | Very high | 120 Ų | 120 | 57.9 Ų | 57.9 | 53% | 0.526 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.5 | -176 | -54.7 | -56.8 | 0 | 0 | 0 | 114 | L21 S50 | F19-L21 VanDerWaalsContact C-N 3.31Å; F19-S50 WeakPolarHBondContact CA-OG 3.47Å; F19-S50 WeakPolarHBondContact CB-OG 3.28Å; F19-S50 WeakPolarHBondContact CD1-O 3.46Å; F19-S50 WeakPolarHBondContact CD1-OG 3.35Å; F19-S50 VanDerWaalsContact CE1-O 3.31Å; F19-S50 WeakPolarHBondContact CE1-O 3.35Å; F19-S50 PolarHBondContact O-OG 2.91Å |
| 20 | A | 89.9 | Confident | 93.2 | Very high | 91 Ų | 91 | 50.6 Ų | 50.6 | 75% | 0.752 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -17.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P18 T22 | P18-A20 PolarHBondContact O-N 3.25Å; A20-T22 PolarHBondContact O-N 3.06Å |
| 21 | L | 90.6 | Very high | 93.3 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 11% | 0.105 | 27% | 0.271 | C | S | . | . | trans | -72.1 | 129.8 | -177 | -78.6 | 173 | 0 | 0 | 0 | 112 | L17 P18 F19 D25 L26 I29 F77 | L17-L21 HydrophobicContact CD2-CD1 4.09Å; P18-L21 HydrophobicContact CG-CD1 3.43Å; P18-L21 VanDerWaalsContact CG-CD1 3.43Å; P18-L21 HydrophobicContact CG-CG 3.72Å; P18-L21 PolarHBondContact O-N 3.5Å; P18-L21 VanDerWaalsContact O-N 3.17Å; F19-L21 VanDerWaalsContact C-N 3.31Å; L21-D25 HydrophobicContact CD2-CB 3.48Å; L21-D25 VanDerWaalsContact CD2-CB 3.48Å; L21-L26 HydrophobicContact CB-CD2 4.48Å; L21-L26 HydrophobicContact CD1-CD2 4Å; L21-I29 HydrophobicContact CD2-CD1 4.15Å; L21-F77 HydrophobicContact CD1-CD2 4.35Å; L21-F77 HydrophobicContact CD1-CE2 4.27Å; L21-F77 HydrophobicContact CD2-CD2 4.46Å; L21-F77 HydrophobicContact CD2-CE2 3.8Å; L21-F77 HydrophobicContact CD2-CZ 4.3Å; L21-F77 HydrophobicContact CG-CE2 4.36Å | ||
| 22 | T | 92.4 | Very high | 93.4 | Very high | 70 Ų | 70 | 60.4 Ų | 60.4 | 43% | 0.429 | 31% | 0.306 | S | S | . | . | trans | -92.9 | 169.8 | 175.3 | 72.6 | 0 | 0 | 0 | 0 | 111.6 | A20 N24 D25 L26 | A20-T22 PolarHBondContact O-N 3.06Å; T22-N24 PolarHBondContact O-N 3.38Å; T22-N24 PolarHBondContact OG1-N 3.02Å; T22-D25 WeakPolarHBondContact CB-OD2 3.48Å; T22-D25 PolarHBondContact N-OD2 3.25Å; T22-D25 PolarHBondContact O-N 3.37Å; T22-D25 VanDerWaalsContact OG1-CG 3.24Å; T22-D25 PolarHBondContact OG1-N 3.25Å; T22-D25 PolarHBondContact OG1-OD2 3.01Å; T22-L26 WeakPolarHBondContact O-CG 3.49Å; T22-L26 PolarHBondContact O-N 3Å | ||
| 23 | N | 92.6 | Very high | 93.3 | Very high | 74 Ų | 74 | 63.2 Ų | 63.2 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.9 | -32 | 174.5 | -69.1 | -53.8 | 0 | 0 | 0 | 112.1 | Y27 V39 I41 | N23-Y27 PolarHBondContact O-N 3.23Å; N23-V39 HydrophobicContact CB-CG1 4.48Å; N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 WeakPolarHBondContact OD1-CD1 3.17Å; N23-I41 WeakPolarHBondContact OD1-CG1 3.36Å |
| 24 | N | 93.9 | Very high | 93.2 | Very high | 87 Ų | 87 | 60.6 Ų | 60.6 | 47% | 0.465 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -69.8 | -43.3 | 179.9 | -164.4 | -42.3 | 0 | 0 | 0 | 110.6 | T22 L26 Y27 R28 | T22-N24 PolarHBondContact O-N 3.38Å; T22-N24 PolarHBondContact OG1-N 3.02Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-L26 PolarHBondContact O-N 3.48Å; N24-Y27 WeakPolarHBondContact O-CB 3.24Å; N24-Y27 PolarHBondContact O-N 3.15Å; N24-Y27 VanDerWaalsContact O-N 3.12Å; N24-R28 WeakPolarHBondContact O-CG 2.94Å; N24-R28 PolarHBondContact O-N 3.4Å; N24-R28 PolarHBondContact OD1-NE 3.41Å |
| 25 | D | 93.3 | Very high | 93.2 | Very high | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 179.4 | -52.2 | -44.4 | 0 | 0 | 0 | 111.4 | L21 T22 Y27 R28 I29 | L21-D25 HydrophobicContact CD2-CB 3.48Å; L21-D25 VanDerWaalsContact CD2-CB 3.48Å; T22-D25 WeakPolarHBondContact CB-OD2 3.48Å; T22-D25 PolarHBondContact N-OD2 3.25Å; T22-D25 PolarHBondContact O-N 3.37Å; T22-D25 VanDerWaalsContact OG1-CG 3.24Å; T22-D25 PolarHBondContact OG1-N 3.25Å; T22-D25 PolarHBondContact OG1-OD2 3.01Å; D25-Y27 VanDerWaalsContact C-N 3.32Å; D25-Y27 PolarHBondContact O-N 3.02Å; D25-R28 PolarHBondContact O-N 2.98Å; D25-I29 WeakPolarHBondContact O-CD1 3.42Å; D25-I29 VanDerWaalsContact O-CG1 3.26Å; D25-I29 WeakPolarHBondContact O-CG1 3.43Å; D25-I29 PolarHBondContact O-N 2.95Å |
| 26 | L | 93.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 173.8 | -66.1 | 178 | 0 | 0 | 0 | 111.3 | L17 L21 T22 N24 R28 I29 F30 V39 I41 A54 | L17-L26 HydrophobicContact CD1-CD1 4.32Å; L17-L26 HydrophobicContact CD1-CD2 4Å; L17-L26 HydrophobicContact CD2-CD2 4.12Å; L21-L26 HydrophobicContact CB-CD2 4.48Å; L21-L26 HydrophobicContact CD1-CD2 4Å; T22-L26 WeakPolarHBondContact O-CG 3.49Å; T22-L26 PolarHBondContact O-N 3Å; N24-L26 VanDerWaalsContact C-N 3.35Å; N24-L26 PolarHBondContact O-N 3.48Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 3.37Å; L26-I29 PolarHBondContact O-N 3.44Å; L26-F30 HydrophobicContact CB-CD2 4.4Å; L26-F30 HydrophobicContact CD2-CD2 4.34Å; L26-F30 HydrophobicContact CD2-CE2 3.77Å; L26-F30 VanDerWaalsContact O-CB 3.31Å; L26-F30 WeakPolarHBondContact O-CB 3.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.18Å; L26-F30 PolarHBondContact O-N 3.28Å; L26-V39 HydrophobicContact CB-CG1 3.92Å; L26-V39 HydrophobicContact CD1-CG1 3.89Å; L26-I41 HydrophobicContact CD1-CD1 3.76Å; L26-I41 HydrophobicContact CD1-CG1 3.62Å; L26-A54 HydrophobicContact CD1-CB 3.77Å |
| 27 | Y | 95 | Very high | 93.2 | Very high | 112 Ų | 112 | 67.1 Ų | 67.1 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.1 | -47.5 | 175 | -173.9 | -92.1 | 0 | 0 | 0 | 111.4 | N23 N24 D25 F30 S31 V36 V39 | N23-Y27 PolarHBondContact O-N 3.23Å; N24-Y27 WeakPolarHBondContact O-CB 3.24Å; N24-Y27 PolarHBondContact O-N 3.15Å; N24-Y27 VanDerWaalsContact O-N 3.12Å; D25-Y27 VanDerWaalsContact C-N 3.32Å; D25-Y27 PolarHBondContact O-N 3.02Å; Y27-F30 PolarHBondContact O-N 3.48Å; Y27-S31 WeakPolarHBondContact O-CB 3.15Å; Y27-S31 PolarHBondContact O-N 3.42Å; Y27-V36 HydrophobicContact CD2-CB 3.83Å; Y27-V36 HydrophobicContact CD2-CG1 3.8Å; Y27-V36 HydrophobicContact CE2-CB 3.7Å; Y27-V36 HydrophobicContact CE2-CG1 4.03Å; Y27-V36 WeakPolarHBondContact CE2-O 3.46Å; Y27-V39 HydrophobicContact CD2-CG2 4.43Å |
| 28 | R | 94.3 | Very high | 93.1 | Very high | 168 Ų | 168 | 70.7 Ų | 70.7 | 63% | 0.634 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | -180 | -66.4 | 175.7 | -173.5 | -144 | -1.5 | 113.2 | N24 D25 L26 | N24-R28 WeakPolarHBondContact O-CG 2.94Å; N24-R28 PolarHBondContact O-N 3.4Å; N24-R28 PolarHBondContact OD1-NE 3.41Å; D25-R28 PolarHBondContact O-N 2.98Å; L26-R28 VanDerWaalsContact C-N 3.33Å; L26-R28 PolarHBondContact O-N 3.37Å |
| 29 | I | 93 | Very high | 93.1 | Very high | 37 Ų | 37 | 71.1 Ų | 71.1 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.3 | -44.8 | -179.1 | -67.5 | 163.7 | 0 | 0 | 0 | 110.4 | L21 D25 L26 F77 | L21-I29 HydrophobicContact CD2-CD1 4.15Å; D25-I29 WeakPolarHBondContact O-CD1 3.42Å; D25-I29 VanDerWaalsContact O-CG1 3.26Å; D25-I29 WeakPolarHBondContact O-CG1 3.43Å; D25-I29 PolarHBondContact O-N 2.95Å; L26-I29 PolarHBondContact O-N 3.44Å; I29-F77 HydrophobicContact CD1-CE2 4.37Å |
| 30 | F | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -84.9 | -19.8 | -172.8 | -72.8 | -101.2 | 0 | 0 | 0 | 113.2 | V14 L26 Y27 K32 Y33 V36 I56 F58 C67 L71 | V14-F30 HydrophobicContact CB-CZ 4.45Å; V14-F30 HydrophobicContact CG1-CZ 4.15Å; V14-F30 HydrophobicContact CG2-CE1 3.71Å; V14-F30 HydrophobicContact CG2-CZ 3.69Å; L26-F30 HydrophobicContact CB-CD2 4.4Å; L26-F30 HydrophobicContact CD2-CD2 4.34Å; L26-F30 HydrophobicContact CD2-CE2 3.77Å; L26-F30 VanDerWaalsContact O-CB 3.31Å; L26-F30 WeakPolarHBondContact O-CB 3.29Å; L26-F30 WeakPolarHBondContact O-CD2 3.18Å; L26-F30 PolarHBondContact O-N 3.28Å; Y27-F30 PolarHBondContact O-N 3.48Å; F30-K32 PolarHBondContact O-N 3.29Å; F30-K32 VanDerWaalsContact O-N 3.09Å; F30-Y33 PolarHBondContact O-N 2.94Å; F30-Y33 VanDerWaalsContact O-N 3.07Å; F30-V36 HydrophobicContact CB-CG2 4.11Å; F30-I56 HydrophobicContact CB-CD1 4.15Å; F30-I56 HydrophobicContact CB-CG2 4.45Å; F30-I56 HydrophobicContact CD1-CD1 3.36Å; F30-I56 HydrophobicContact CD2-CD1 3.49Å; F30-I56 VanDerWaalsContact CD2-CD1 3.49Å; F30-I56 HydrophobicContact CE1-CD1 3.47Å; F30-I56 VanDerWaalsContact CE1-CD1 3.47Å; F30-I56 HydrophobicContact CE2-CD1 3.59Å; F30-I56 HydrophobicContact CG-CD1 3.37Å; F30-I56 HydrophobicContact CZ-CD1 3.6Å; F30-F58 HydrophobicContact CB-CZ 4.11Å; F30-F58 HydrophobicContact CD1-CZ 4.18Å; F30-C67 WeakPolarHBondContact CD1-SG 3.33Å; F30-L71 HydrophobicContact CD1-CD1 3.72Å; F30-L71 HydrophobicContact CE1-CD1 3.16Å; F30-L71 HydrophobicContact CE2-CD1 4.39Å; F30-L71 HydrophobicContact CZ-CD1 3.56Å |
| 31 | S | 94.3 | Very high | 93.3 | Very high | 56 Ų | 56 | 65 Ų | 65 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.6 | 172.8 | -172.1 | 0 | 0 | 0 | 0 | 113.4 | Y27 Y33 G34 | Y27-S31 WeakPolarHBondContact O-CB 3.15Å; Y27-S31 PolarHBondContact O-N 3.42Å; S31-Y33 VanDerWaalsContact C-N 3.26Å; S31-Y33 PolarHBondContact O-N 2.92Å; S31-G34 WeakPolarHBondContact CA-O 3.5Å |
| 32 | K | 94.3 | Very high | 93.4 | Very high | 176 Ų | 176 | 68.5 Ų | 68.5 | 77% | 0.765 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -24.7 | 175.9 | -64.6 | -179.6 | 176.8 | -176.6 | 0 | 113.5 | F30 | F30-K32 PolarHBondContact O-N 3.29Å; F30-K32 VanDerWaalsContact O-N 3.09Å |
| 33 | Y | 93.2 | Very high | 93.4 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 23% | 0.227 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -14 | -176.9 | -56.9 | -74.4 | 0 | 0 | 0 | 112.8 | F30 S31 S63 C67 A70 L71 | F30-Y33 PolarHBondContact O-N 2.94Å; F30-Y33 VanDerWaalsContact O-N 3.07Å; S31-Y33 VanDerWaalsContact C-N 3.26Å; S31-Y33 PolarHBondContact O-N 2.92Å; Y33-S63 WeakPolarHBondContact O-CB 3.41Å; Y33-C67 HydrophobicContact CD2-CB 4.42Å; Y33-C67 HydrophobicContact CG-CB 4.1Å; Y33-A70 HydrophobicContact CD1-CB 4.13Å; Y33-A70 HydrophobicContact CE1-CB 3.58Å; Y33-L71 HydrophobicContact CD2-CD1 4.21Å; Y33-L71 HydrophobicContact CE2-CD1 3.71Å; Y33-L71 HydrophobicContact CE2-CD2 3.83Å; Y33-L71 HydrophobicContact CE2-CG 3.77Å; Y33-L71 VanDerWaalsContact OH-CD2 3.29Å; Y33-L71 WeakPolarHBondContact OH-CD2 3.29Å |
| 34 | G | 93.6 | Very high | 93.4 | Very high | 19 Ų | 19 | 69.2 Ų | 69.2 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 161.8 | 179.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S31 V36 | S31-G34 WeakPolarHBondContact CA-O 3.5Å; G34-V36 PolarHBondContact O-N 3.4Å |
| 35 | K | 94.8 | Very high | 93.2 | Very high | 148 Ų | 148 | 74 Ų | 74 | 64% | 0.643 | 35% | 0.35 | S | S | * | . | trans | -72.4 | 114.8 | -179.9 | -68.4 | 178.1 | -178.3 | 172 | 0 | 110.6 | L59 | K35-L59 HydrophobicContact CB-CB 4.17Å; K35-L59 HydrophobicContact CB-CD2 4.5Å; K35-L59 HydrophobicContact CD-CD2 4.2Å; K35-L59 PolarHBondContact O-N 2.87Å | ||
| 36 | V | 94.8 | Very high | 93.2 | Very high | 11 Ų | 11 | 78.1 Ų | 78.1 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.7 | 177.3 | 179.2 | 0 | 0 | 0 | 0 | 109.7 | Y27 F30 G34 V39 I56 F58 | Y27-V36 HydrophobicContact CD2-CB 3.83Å; Y27-V36 HydrophobicContact CD2-CG1 3.8Å; Y27-V36 HydrophobicContact CE2-CB 3.7Å; Y27-V36 HydrophobicContact CE2-CG1 4.03Å; Y27-V36 WeakPolarHBondContact CE2-O 3.46Å; F30-V36 HydrophobicContact CB-CG2 4.11Å; G34-V36 PolarHBondContact O-N 3.4Å; V36-V39 HydrophobicContact CG1-CG2 3.69Å; V36-I56 HydrophobicContact CG1-CG2 3.79Å; V36-I56 HydrophobicContact CG2-CG2 4.14Å; V36-F58 HydrophobicContact CG2-CD1 4.08Å; V36-F58 HydrophobicContact CG2-CE1 3.65Å; V36-F58 HydrophobicContact CG2-CZ 4.2Å |
| 37 | V | 92.9 | Very high | 93.1 | Very high | 83 Ų | 83 | 81.8 Ų | 81.8 | 50% | 0.503 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | -44.1 | 177.8 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | L57 L59 | V37-L57 HydrophobicContact CB-CD2 4.03Å; V37-L57 HydrophobicContact CB-CG 4.07Å; V37-L57 HydrophobicContact CG1-CD2 3.92Å; V37-L57 PolarHBondContact N-O 3.5Å; V37-L59 HydrophobicContact CG2-CB 4.03Å; V37-L59 HydrophobicContact CG2-CD1 4.05Å |
| 38 | K | 91.1 | Very high | 92.8 | Very high | 82 Ų | 82 | 85.3 Ų | 85.3 | 36% | 0.357 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 139 | -177.9 | -176.8 | 166.7 | 170.8 | 176.4 | 0 | 112.2 | L5 T40 L57 | L5-K38 HydrophobicContact CD1-CD 3.69Å; L5-K38 HydrophobicContact CD2-CB 4.32Å; L5-K38 HydrophobicContact CD2-CD 3.78Å; L5-K38 HydrophobicContact CD2-CG 4.32Å; L5-K38 HydrophobicContact CG-CD 4.4Å; K38-T40 WeakPolarHBondContact CE-OG1 3.42Å; K38-L57 HydrophobicContact CB-CB 4.29Å; K38-L57 PolarHBondContact N-O 3.02Å; K38-L57 PolarHBondContact O-N 3.08Å |
| 39 | V | 93.8 | Very high | 92.6 | Very high | 24 Ų | 24 | 84.4 Ų | 84.4 | 15% | 0.145 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.7 | 171.4 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | N23 L26 Y27 V36 I56 | N23-V39 HydrophobicContact CB-CG1 4.48Å; L26-V39 HydrophobicContact CB-CG1 3.92Å; L26-V39 HydrophobicContact CD1-CG1 3.89Å; Y27-V39 HydrophobicContact CD2-CG2 4.43Å; V36-V39 HydrophobicContact CG1-CG2 3.69Å; V39-I56 HydrophobicContact CG1-CG1 4.38Å; V39-I56 HydrophobicContact CG2-CG2 4.48Å |
| 40 | T | 92.1 | Very high | 92.5 | Very high | 56 Ų | 56 | 83.8 Ų | 83.8 | 34% | 0.344 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 107.5 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 109.8 | K38 A54 F55 | K38-T40 WeakPolarHBondContact CE-OG1 3.42Å; T40-A54 WeakPolarHBondContact O-CA 3.38Å; T40-F55 PolarHBondContact N-O 3.42Å; T40-F55 PolarHBondContact O-N 3.44Å |
| 41 | I | 93.5 | Very high | 92.4 | Very high | 26 Ų | 26 | 89.3 Ų | 89.3 | 13% | 0.133 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 128.8 | 172.7 | -64.2 | 168 | 0 | 0 | 0 | 109.5 | N23 L26 K43 A54 | N23-I41 HydrophobicContact CB-CD1 4.47Å; N23-I41 WeakPolarHBondContact OD1-CD1 3.17Å; N23-I41 WeakPolarHBondContact OD1-CG1 3.36Å; L26-I41 HydrophobicContact CD1-CD1 3.76Å; L26-I41 HydrophobicContact CD1-CG1 3.62Å; I41-K43 HydrophobicContact CG2-CG 4.39Å; I41-K43 PolarHBondContact O-N 3.23Å; I41-A54 HydrophobicContact CG1-CB 4.22Å |
| 42 | M | 91.5 | Very high | 92.3 | Very high | 94 Ų | 94 | 86.9 Ų | 86.9 | 46% | 0.463 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 120.8 | 170.3 | -87.9 | -166.7 | 164.6 | 0 | 0 | 110.1 | K51 V53 F55 | M42-K51 PolarHBondContact O-N 2.97Å; M42-V53 HydrophobicContact CB-CB 4.22Å; M42-V53 HydrophobicContact CB-CG1 4.39Å; M42-V53 PolarHBondContact N-O 3.24Å; M42-V53 HydrophobicContact SD-CG1 4.21Å; M42-F55 HydrophobicContact CE-CE2 3.58Å; M42-F55 HydrophobicContact CE-CZ 4.15Å; M42-F55 HydrophobicContact CG-CD2 4.33Å; M42-F55 HydrophobicContact CG-CE2 3.93Å; M42-F55 HydrophobicContact SD-CE2 3.75Å |
| 43 | K | 92.4 | Very high | 92.3 | Very high | 115 Ų | 115 | 79.5 Ų | 79.5 | 50% | 0.5 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 150 | 173.7 | -61 | -174 | 178.5 | -170.5 | 0 | 109.6 | I41 K49 | I41-K43 HydrophobicContact CG2-CG 4.39Å; I41-K43 PolarHBondContact O-N 3.23Å; K43-K49 CarbonylContact C-O 3.56Å; K43-K49 VanDerWaalsContact CA-O 3.31Å; K43-K49 WeakPolarHBondContact CA-O 3.46Å |
| 44 | D | 92.3 | Very high | 92.4 | Very high | 43 Ų | 43 | 76.7 Ų | 76.7 | 23% | 0.23 | 37% | 0.373 | C | S | . | . | trans | -70.3 | 149.3 | 172.2 | -153.5 | 15.9 | 0 | 0 | 0 | 111.5 | T47 R48 K49 K51 | D44-T47 WeakPolarHBondContact CB-OG1 3.44Å; D44-T47 PolarHBondContact OD2-OG1 3.38Å; D44-R48 VanDerWaalsContact O-CA 3.26Å; D44-R48 WeakPolarHBondContact O-CA 3.44Å; D44-R48 PolarHBondContact O-N 3.42Å; D44-K49 PolarHBondContact N-O 3.48Å; D44-K51 HydrophobicContact CB-CG 4.43Å; D44-K51 WeakPolarHBondContact OD1-CE 2.79Å; D44-K51 IonicContact OD1-NZ 2.66Å; D44-K51 PolarHBondContact OD1-NZ 3.46Å | ||
| 45 | K | 90.8 | Very high | 92.4 | Very high | 187 Ų | 187 | 78 Ų | 78 | 81% | 0.813 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -42.7 | -175.4 | -65.5 | -173.9 | 179.4 | -172.8 | 0 | 111 | ||
| 46 | D | 93.3 | Very high | 92.4 | Very high | 144 Ų | 144 | 70.9 Ų | 70.9 | 77% | 0.77 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -54.6 | -173.2 | -48.2 | -45.3 | 0 | 0 | 0 | 110.7 | R48 | D46-R48 VanDerWaalsContact C-N 3.34Å; D46-R48 PolarHBondContact O-N 3.22Å |
| 47 | T | 91.9 | Very high | 92.4 | Very high | 78 Ų | 78 | 71.9 Ų | 71.9 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -13.6 | -176.1 | 65.2 | 0 | 0 | 0 | 0 | 113.9 | D44 K49 | D44-T47 WeakPolarHBondContact CB-OG1 3.44Å; D44-T47 PolarHBondContact OD2-OG1 3.38Å; T47-K49 PolarHBondContact O-N 3.15Å |
| 48 | R | 88 | Confident | 92.5 | Very high | 186 Ų | 186 | 68 Ų | 68 | 70% | 0.702 | 32% | 0.324 | S | S | * | . | trans | 55.3 | 7 | -173.6 | -62 | -75.6 | -76.4 | -168 | -8.3 | 114.9 | D44 D46 | D44-R48 VanDerWaalsContact O-CA 3.26Å; D44-R48 WeakPolarHBondContact O-CA 3.44Å; D44-R48 PolarHBondContact O-N 3.42Å; D46-R48 VanDerWaalsContact C-N 3.34Å; D46-R48 PolarHBondContact O-N 3.22Å | ||
| 49 | K | 89.5 | Confident | 92.5 | Very high | 150 Ų | 150 | 69 Ų | 69 | 65% | 0.652 | 33% | 0.332 | S | S | * | . | trans | -75.5 | 150.1 | 176.5 | -66.2 | -179.9 | -177.2 | 178.7 | 0 | 110 | K43 D44 T47 | K43-K49 CarbonylContact C-O 3.56Å; K43-K49 VanDerWaalsContact CA-O 3.31Å; K43-K49 WeakPolarHBondContact CA-O 3.46Å; D44-K49 PolarHBondContact N-O 3.48Å; T47-K49 PolarHBondContact O-N 3.15Å | ||
| 50 | S | 91.7 | Very high | 92.5 | Very high | 24 Ų | 24 | 71.6 Ų | 71.6 | 17% | 0.168 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 135.2 | 173.6 | 52.4 | 0 | 0 | 0 | 0 | 110.5 | F19 G52 | F19-S50 WeakPolarHBondContact CA-OG 3.47Å; F19-S50 WeakPolarHBondContact CB-OG 3.28Å; F19-S50 WeakPolarHBondContact CD1-O 3.46Å; F19-S50 WeakPolarHBondContact CD1-OG 3.35Å; F19-S50 VanDerWaalsContact CE1-O 3.31Å; F19-S50 WeakPolarHBondContact CE1-O 3.35Å; F19-S50 PolarHBondContact O-OG 2.91Å; S50-G52 PolarHBondContact O-N 3.46Å |
| 51 | K | 91.6 | Very high | 92.6 | Very high | 116 Ų | 116 | 73.9 Ų | 73.9 | 50% | 0.504 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 4 | 173.5 | -68 | -169.2 | 171.5 | -179.9 | 0 | 113.5 | M42 D44 V53 | M42-K51 PolarHBondContact O-N 2.97Å; D44-K51 HydrophobicContact CB-CG 4.43Å; D44-K51 WeakPolarHBondContact OD1-CE 2.79Å; D44-K51 IonicContact OD1-NZ 2.66Å; D44-K51 PolarHBondContact OD1-NZ 3.46Å; K51-V53 PolarHBondContact O-N 2.99Å |
| 52 | G | 92.4 | Very high | 92.6 | Very high | 4 Ų | 4 | 79.9 Ų | 79.9 | 4% | 0.041 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 68.6 | 24 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N16 L17 S50 | N16-G52 PolarHBondContact N-O 2.93Å; N16-G52 VanDerWaalsContact N-O 3.13Å; L17-G52 PolarHBondContact N-O 2.83Å; L17-G52 WeakPolarHBondContact O-CA 3.48Å; S50-G52 PolarHBondContact O-N 3.46Å |
| 53 | V | 94.1 | Very high | 92.8 | Very high | 21 Ų | 21 | 76.3 Ų | 76.3 | 13% | 0.127 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135.2 | -179.2 | 174.3 | 0 | 0 | 0 | 0 | 109.1 | Y13 V14 M42 K51 F55 | Y13-V53 HydrophobicContact CD2-CG1 4.04Å; Y13-V53 HydrophobicContact CE2-CG1 3.3Å; V14-V53 WeakPolarHBondContact O-CA 2.97Å; M42-V53 HydrophobicContact CB-CB 4.22Å; M42-V53 HydrophobicContact CB-CG1 4.39Å; M42-V53 PolarHBondContact N-O 3.24Å; M42-V53 HydrophobicContact SD-CG1 4.21Å; K51-V53 PolarHBondContact O-N 2.99Å; V53-F55 HydrophobicContact CG1-CE2 4.24Å |
| 54 | A | 94.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 148.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V14 L17 L26 T40 I41 | V14-A54 PolarHBondContact N-O 3.12Å; V14-A54 PolarHBondContact O-N 3.41Å; L17-A54 HydrophobicContact CD1-CB 3.63Å; L26-A54 HydrophobicContact CD1-CB 3.77Å; T40-A54 WeakPolarHBondContact O-CA 3.38Å; I41-A54 HydrophobicContact CG1-CB 4.22Å |
| 55 | F | 94.3 | Very high | 93 | Very high | 45 Ų | 45 | 71.4 Ų | 71.4 | 20% | 0.197 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 127.8 | 170.2 | -66.1 | -90.6 | 0 | 0 | 0 | 109.1 | T11 V12 Y13 T40 M42 V53 A86 | T11-F55 HydrophobicContact CG2-CB 4.21Å; T11-F55 HydrophobicContact CG2-CD1 4.23Å; V12-F55 WeakPolarHBondContact O-CA 3.5Å; Y13-F55 HydrophobicContact CD2-CD1 4.33Å; Y13-F55 AromaticContact CD2-CE1 3.65Å; Y13-F55 HydrophobicContact CD2-CE1 3.65Å; Y13-F55 HydrophobicContact CD2-CE2 4.32Å; Y13-F55 AromaticContact CD2-CZ 3.64Å; Y13-F55 HydrophobicContact CD2-CZ 3.64Å; Y13-F55 HydrophobicContact CE2-CE1 4.49Å; Y13-F55 HydrophobicContact CE2-CZ 4.05Å; Y13-F55 HydrophobicContact CG-CE1 4.49Å; T40-F55 PolarHBondContact N-O 3.42Å; T40-F55 PolarHBondContact O-N 3.44Å; M42-F55 HydrophobicContact CE-CE2 3.58Å; M42-F55 HydrophobicContact CE-CZ 4.15Å; M42-F55 HydrophobicContact CG-CD2 4.33Å; M42-F55 HydrophobicContact CG-CE2 3.93Å; M42-F55 HydrophobicContact SD-CE2 3.75Å; V53-F55 HydrophobicContact CG1-CE2 4.24Å; F55-A86 HydrophobicContact CD1-CB 4.1Å; F55-A86 HydrophobicContact CE1-CB 4.2Å |
| 56 | I | 94.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 114.2 | -177.2 | -58.2 | 175.1 | 0 | 0 | 0 | 107.7 | T11 V12 V14 F30 V36 V39 F58 | T11-I56 CarbonylContact C-O 3.59Å; T11-I56 WeakPolarHBondContact CA-O 3.26Å; V12-I56 PolarHBondContact N-O 2.89Å; V12-I56 PolarHBondContact O-N 3.09Å; V14-I56 HydrophobicContact CG2-CD1 4.2Å; F30-I56 HydrophobicContact CB-CD1 4.15Å; F30-I56 HydrophobicContact CB-CG2 4.45Å; F30-I56 HydrophobicContact CD1-CD1 3.36Å; F30-I56 HydrophobicContact CD2-CD1 3.49Å; F30-I56 VanDerWaalsContact CD2-CD1 3.49Å; F30-I56 HydrophobicContact CE1-CD1 3.47Å; F30-I56 VanDerWaalsContact CE1-CD1 3.47Å; F30-I56 HydrophobicContact CE2-CD1 3.59Å; F30-I56 HydrophobicContact CG-CD1 3.37Å; F30-I56 HydrophobicContact CZ-CD1 3.6Å; V36-I56 HydrophobicContact CG1-CG2 3.79Å; V36-I56 HydrophobicContact CG2-CG2 4.14Å; V39-I56 HydrophobicContact CG1-CG1 4.38Å; V39-I56 HydrophobicContact CG2-CG2 4.48Å; I56-F58 HydrophobicContact CB-CE2 4.28Å; I56-F58 HydrophobicContact CG2-CD2 4.16Å; I56-F58 HydrophobicContact CG2-CE2 3.66Å; I56-F58 HydrophobicContact CG2-CZ 3.96Å |
| 57 | L | 93.5 | Very high | 93.3 | Very high | 32 Ų | 32 | 60 Ų | 60 | 17% | 0.168 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 118.1 | 175.4 | 178.7 | 66.5 | 0 | 0 | 0 | 108.8 | L5 S8 T11 V37 K38 | L5-L57 HydrophobicContact CD2-CB 4.22Å; L5-L57 HydrophobicContact CD2-CD2 3.79Å; S8-L57 WeakPolarHBondContact OG-CD1 3.31Å; T11-L57 WeakPolarHBondContact OG1-CD1 3.2Å; V37-L57 HydrophobicContact CB-CD2 4.03Å; V37-L57 HydrophobicContact CB-CG 4.07Å; V37-L57 HydrophobicContact CG1-CD2 3.92Å; V37-L57 PolarHBondContact N-O 3.5Å; K38-L57 HydrophobicContact CB-CB 4.29Å; K38-L57 PolarHBondContact N-O 3.02Å; K38-L57 PolarHBondContact O-N 3.08Å |
| 58 | F | 95 | Very high | 93.4 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 158.5 | 169.2 | -70.9 | -88.2 | 0 | 0 | 0 | 111.1 | S10 V12 F30 V36 I56 A64 C67 | S10-F58 PolarHBondContact O-N 3.28Å; S10-F58 PolarHBondContact OG-O 3.07Å; V12-F58 HydrophobicContact CB-CE2 4.19Å; V12-F58 HydrophobicContact CG2-CD2 3.82Å; V12-F58 HydrophobicContact CG2-CE2 3.61Å; F30-F58 HydrophobicContact CB-CZ 4.11Å; F30-F58 HydrophobicContact CD1-CZ 4.18Å; V36-F58 HydrophobicContact CG2-CD1 4.08Å; V36-F58 HydrophobicContact CG2-CE1 3.65Å; V36-F58 HydrophobicContact CG2-CZ 4.2Å; I56-F58 HydrophobicContact CB-CE2 4.28Å; I56-F58 HydrophobicContact CG2-CD2 4.16Å; I56-F58 HydrophobicContact CG2-CE2 3.66Å; I56-F58 HydrophobicContact CG2-CZ 3.96Å; F58-A64 HydrophobicContact CB-CB 4.33Å; F58-A64 HydrophobicContact CD2-CB 3.93Å; F58-A64 HydrophobicContact CG-CB 4.39Å; F58-C67 HydrophobicContact CE2-CB 4.09Å; F58-C67 HydrophobicContact CZ-CB 3.95Å |
| 59 | L | 92.5 | Very high | 93.7 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 53% | 0.529 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -65.2 | -50.3 | 170.7 | -169.5 | 71.4 | 0 | 0 | 0 | 109.8 | K35 V37 | K35-L59 HydrophobicContact CB-CB 4.17Å; K35-L59 HydrophobicContact CB-CD2 4.5Å; K35-L59 HydrophobicContact CD-CD2 4.2Å; K35-L59 PolarHBondContact O-N 2.87Å; V37-L59 HydrophobicContact CG2-CB 4.03Å; V37-L59 HydrophobicContact CG2-CD1 4.05Å |
| 60 | D | 93.3 | Very high | 93.9 | Very high | 79 Ų | 79 | 51 Ų | 51 | 42% | 0.422 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -103.7 | 144.7 | -174.7 | -52.8 | -50.2 | 0 | 0 | 0 | 111.9 | E62 A64 | D60-E62 VanDerWaalsContact C-N 3.34Å; D60-A64 PolarHBondContact O-N 2.98Å |
| 61 | K | 93.3 | Very high | 93.9 | Very high | 104 Ų | 104 | 50 Ų | 50 | 45% | 0.452 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.3 | -36.8 | 176 | -177.6 | -172.4 | 170.6 | -155.3 | 0 | 111.6 | K9 A64 Q65 | K9-K61 HydrophobicContact CB-CD 4.06Å; K9-K61 HydrophobicContact CB-CG 4.17Å; K61-A64 WeakPolarHBondContact O-CB 3.38Å; K61-A64 PolarHBondContact O-N 3.2Å; K61-Q65 WeakPolarHBondContact O-CG 3.38Å; K61-Q65 PolarHBondContact O-N 2.78Å |
| 62 | E | 94.5 | Very high | 94 | Very high | 152 Ų | 152 | 48 Ų | 48 | 71% | 0.71 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.9 | -42.6 | -178.4 | -62.9 | -178.3 | 178.3 | 0 | 0 | 111.5 | D60 A64 Q65 N66 | D60-E62 VanDerWaalsContact C-N 3.34Å; E62-A64 VanDerWaalsContact C-N 3.29Å; E62-A64 PolarHBondContact O-N 3.26Å; E62-Q65 PolarHBondContact O-N 2.93Å; E62-Q65 VanDerWaalsContact O-N 3.14Å; E62-N66 WeakPolarHBondContact O-CB 3.31Å; E62-N66 PolarHBondContact O-N 2.83Å |
| 63 | S | 94.6 | Very high | 94.1 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 14% | 0.14 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 172.8 | -57.5 | 0 | 0 | 0 | 0 | 112.1 | Y33 N66 C67 | Y33-S63 WeakPolarHBondContact O-CB 3.41Å; S63-N66 PolarHBondContact O-N 3.49Å; S63-C67 WeakPolarHBondContact O-CB 3.14Å; S63-C67 PolarHBondContact O-N 3.25Å |
| 64 | A | 94.5 | Very high | 94 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.4 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | V12 F58 D60 K61 E62 S68 | V12-A64 HydrophobicContact CG2-CB 3.64Å; V12-A64 WeakPolarHBondContact CG2-O 3.49Å; F58-A64 HydrophobicContact CB-CB 4.33Å; F58-A64 HydrophobicContact CD2-CB 3.93Å; F58-A64 HydrophobicContact CG-CB 4.39Å; D60-A64 PolarHBondContact O-N 2.98Å; K61-A64 WeakPolarHBondContact O-CB 3.38Å; K61-A64 PolarHBondContact O-N 3.2Å; E62-A64 VanDerWaalsContact C-N 3.29Å; E62-A64 PolarHBondContact O-N 3.26Å; A64-S68 WeakPolarHBondContact O-CB 3.1Å; A64-S68 PolarHBondContact O-N 3.3Å; A64-S68 PolarHBondContact O-OG 3.04Å |
| 65 | Q | 94.6 | Very high | 93.9 | Very high | 54 Ų | 54 | 63 Ų | 63 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -46.9 | 176.8 | -70.5 | -176 | -29 | 0 | 0 | 111.9 | K61 E62 C67 S68 R69 I85 | K61-Q65 WeakPolarHBondContact O-CG 3.38Å; K61-Q65 PolarHBondContact O-N 2.78Å; E62-Q65 PolarHBondContact O-N 2.93Å; E62-Q65 VanDerWaalsContact O-N 3.14Å; Q65-C67 PolarHBondContact O-N 2.94Å; Q65-S68 PolarHBondContact O-N 2.65Å; Q65-S68 PolarHBondContact O-OG 3.45Å; Q65-R69 WeakPolarHBondContact O-CG 3.47Å; Q65-R69 PolarHBondContact O-N 3.41Å; Q65-I85 HydrophobicContact CG-CD1 4.04Å |
| 66 | N | 95.2 | Very high | 93.6 | Very high | 92 Ų | 92 | 62.4 Ų | 62.4 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 176.4 | -171.5 | 13.5 | 0 | 0 | 0 | 111 | E62 S63 S68 R69 A70 | E62-N66 WeakPolarHBondContact O-CB 3.31Å; E62-N66 PolarHBondContact O-N 2.83Å; S63-N66 PolarHBondContact O-N 3.49Å; N66-S68 VanDerWaalsContact C-N 3.34Å; N66-S68 PolarHBondContact O-N 2.91Å; N66-R69 PolarHBondContact O-N 3.37Å; N66-A70 WeakPolarHBondContact O-CB 3.41Å; N66-A70 PolarHBondContact O-N 3.3Å |
| 67 | C | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -55.5 | -47 | 175.1 | 178.5 | 0 | 0 | 0 | 0 | 112.1 | V12 F30 Y33 F58 S63 Q65 A70 L71 | V12-C67 HydrophobicContact CG2-CB 4.46Å; F30-C67 WeakPolarHBondContact CD1-SG 3.33Å; Y33-C67 HydrophobicContact CD2-CB 4.42Å; Y33-C67 HydrophobicContact CG-CB 4.1Å; F58-C67 HydrophobicContact CE2-CB 4.09Å; F58-C67 HydrophobicContact CZ-CB 3.95Å; S63-C67 WeakPolarHBondContact O-CB 3.14Å; S63-C67 PolarHBondContact O-N 3.25Å; Q65-C67 PolarHBondContact O-N 2.94Å; C67-A70 PolarHBondContact O-N 3.4Å; C67-L71 VanDerWaalsContact O-CB 3.31Å; C67-L71 WeakPolarHBondContact O-CB 3.47Å; C67-L71 PolarHBondContact O-N 3.18Å |
| 68 | S | 94.6 | Very high | 93 | Very high | 13 Ų | 13 | 70.6 Ų | 70.6 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 179.8 | 69.8 | 0 | 0 | 0 | 0 | 111.7 | A64 Q65 N66 A70 N72 | A64-S68 WeakPolarHBondContact O-CB 3.1Å; A64-S68 PolarHBondContact O-N 3.3Å; A64-S68 PolarHBondContact O-OG 3.04Å; Q65-S68 PolarHBondContact O-N 2.65Å; Q65-S68 PolarHBondContact O-OG 3.45Å; N66-S68 VanDerWaalsContact C-N 3.34Å; N66-S68 PolarHBondContact O-N 2.91Å; S68-A70 PolarHBondContact O-N 3.28Å; S68-N72 WeakPolarHBondContact O-CB 3.42Å; S68-N72 PolarHBondContact O-N 3.46Å |
| 69 | R | 94.1 | Very high | 92.9 | Very high | 191 Ų | 191 | 75 Ų | 75 | 72% | 0.721 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.1 | -42.8 | 178.3 | -68.4 | 174.8 | -177.2 | 171.7 | 1 | 111.9 | Q65 N66 | Q65-R69 WeakPolarHBondContact O-CG 3.47Å; Q65-R69 PolarHBondContact O-N 3.41Å; N66-R69 PolarHBondContact O-N 3.37Å |
| 70 | A | 93.5 | Very high | 93 | Very high | 21 Ų | 21 | 73.3 Ų | 73.3 | 17% | 0.174 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -71.7 | -34.7 | -177 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y33 N66 C67 S68 K74 | Y33-A70 HydrophobicContact CD1-CB 4.13Å; Y33-A70 HydrophobicContact CE1-CB 3.58Å; N66-A70 WeakPolarHBondContact O-CB 3.41Å; N66-A70 PolarHBondContact O-N 3.3Å; C67-A70 PolarHBondContact O-N 3.4Å; S68-A70 PolarHBondContact O-N 3.28Å; A70-K74 WeakPolarHBondContact O-CD 3.17Å; A70-K74 WeakPolarHBondContact O-CE 3.44Å; A70-K74 WeakPolarHBondContact O-CG 3.36Å; A70-K74 PolarHBondContact O-NZ 2.74Å |
| 71 | L | 92.2 | Very high | 93.1 | Very high | 4 Ų | 4 | 69.6 Ų | 69.6 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -98.9 | -12.6 | -174.9 | -69.8 | 179.9 | 0 | 0 | 0 | 114.1 | F30 Y33 C67 N73 K74 I81 A83 | F30-L71 HydrophobicContact CD1-CD1 3.72Å; F30-L71 HydrophobicContact CE1-CD1 3.16Å; F30-L71 HydrophobicContact CE2-CD1 4.39Å; F30-L71 HydrophobicContact CZ-CD1 3.56Å; Y33-L71 HydrophobicContact CD2-CD1 4.21Å; Y33-L71 HydrophobicContact CE2-CD1 3.71Å; Y33-L71 HydrophobicContact CE2-CD2 3.83Å; Y33-L71 HydrophobicContact CE2-CG 3.77Å; Y33-L71 VanDerWaalsContact OH-CD2 3.29Å; Y33-L71 WeakPolarHBondContact OH-CD2 3.29Å; C67-L71 VanDerWaalsContact O-CB 3.31Å; C67-L71 WeakPolarHBondContact O-CB 3.47Å; C67-L71 PolarHBondContact O-N 3.18Å; L71-N73 PolarHBondContact O-N 3.04Å; L71-K74 HydrophobicContact CD2-CD 4.29Å; L71-K74 PolarHBondContact O-N 2.87Å; L71-K74 VanDerWaalsContact O-N 3.15Å; L71-I81 HydrophobicContact CB-CD1 3.86Å; L71-I81 HydrophobicContact CD1-CD1 4.49Å; L71-I81 HydrophobicContact CD2-CD1 4.32Å; L71-I81 HydrophobicContact CG-CD1 4.47Å; L71-A83 HydrophobicContact CB-CB 3.97Å |
| 72 | N | 94.3 | Very high | 93.1 | Very high | 73 Ų | 73 | 70.5 Ų | 70.5 | 39% | 0.39 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | 125.6 | 178.1 | -165.6 | 25.4 | 0 | 0 | 0 | 110.5 | S68 K74 | S68-N72 WeakPolarHBondContact O-CB 3.42Å; S68-N72 PolarHBondContact O-N 3.46Å; N72-K74 PolarHBondContact O-N 3.48Å |
| 73 | N | 93.4 | Very high | 93.2 | Very high | 104 Ų | 104 | 63.4 Ų | 63.4 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 20.8 | -176.4 | -54.1 | -43.1 | 0 | 0 | 0 | 115.3 | L71 V80 I81 | L71-N73 PolarHBondContact O-N 3.04Å; N73-V80 HydrophobicContact CB-CG1 4.31Å; N73-I81 VanDerWaalsContact CA-O 3.31Å; N73-I81 WeakPolarHBondContact CA-O 3.39Å; N73-I81 PolarHBondContact N-O 3.5Å |
| 74 | K | 92.4 | Very high | 93.2 | Very high | 97 Ų | 97 | 65 Ų | 65 | 42% | 0.422 | 33% | 0.328 | S | S | . | . | trans | -83.3 | 149.7 | 170.5 | -76.2 | -162.2 | 173 | 153.7 | 0 | 112 | A70 L71 N72 V80 I81 | A70-K74 WeakPolarHBondContact O-CD 3.17Å; A70-K74 WeakPolarHBondContact O-CE 3.44Å; A70-K74 WeakPolarHBondContact O-CG 3.36Å; A70-K74 PolarHBondContact O-NZ 2.74Å; L71-K74 HydrophobicContact CD2-CD 4.29Å; L71-K74 PolarHBondContact O-N 2.87Å; L71-K74 VanDerWaalsContact O-N 3.15Å; N72-K74 PolarHBondContact O-N 3.48Å; K74-V80 CarbonylContact O-C 3.54Å; K74-V80 WeakPolarHBondContact O-CA 3.35Å; K74-I81 WeakPolarHBondContact O-CG1 3.18Å; K74-I81 PolarHBondContact O-N 2.84Å | ||
| 75 | Q | 92.6 | Very high | 93.2 | Very high | 140 Ų | 140 | 68 Ų | 68 | 65% | 0.654 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 123.4 | 175.5 | -152.4 | 171.9 | 14 | 0 | 0 | 110.2 | G78 R79 V80 | Q75-G78 PolarHBondContact NE2-O 3.03Å; Q75-R79 CarbonylContact C-O 3.39Å; Q75-R79 WeakPolarHBondContact CA-O 3.31Å; Q75-V80 HydrophobicContact CG-CG2 4.49Å |
| 76 | L | 88.5 | Confident | 93 | Very high | 32 Ų | 32 | 65.9 Ų | 65.9 | 17% | 0.168 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 121.7 | 172.1 | -74 | 178.9 | 0 | 0 | 0 | 108.7 | G78 R79 I81 | L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.14Å; L76-R79 PolarHBondContact N-O 3.25Å; L76-R79 PolarHBondContact O-N 3.45Å; L76-I81 HydrophobicContact CB-CG2 4.1Å; L76-I81 HydrophobicContact CD1-CD1 3.43Å; L76-I81 VanDerWaalsContact CD1-CD1 3.43Å; L76-I81 HydrophobicContact CD1-CG1 3.92Å; L76-I81 HydrophobicContact CD1-CG2 4.13Å; L76-I81 HydrophobicContact CG-CD1 4.13Å; L76-I81 HydrophobicContact CG-CG1 4.17Å; L76-I81 HydrophobicContact CG-CG2 4.46Å |
| 77 | F | 87.1 | Confident | 92.7 | Very high | 145 Ų | 145 | 68 Ų | 68 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 44.8 | 179.3 | -55.8 | -83.5 | 0 | 0 | 0 | 113 | P18 L21 I29 R79 | P18-F77 HydrophobicContact CB-CB 4.49Å; P18-F77 HydrophobicContact CG-CB 4.14Å; P18-F77 HydrophobicContact CG-CD2 3.96Å; P18-F77 HydrophobicContact CG-CG 4.37Å; L21-F77 HydrophobicContact CD1-CD2 4.35Å; L21-F77 HydrophobicContact CD1-CE2 4.27Å; L21-F77 HydrophobicContact CD2-CD2 4.46Å; L21-F77 HydrophobicContact CD2-CE2 3.8Å; L21-F77 HydrophobicContact CD2-CZ 4.3Å; L21-F77 HydrophobicContact CG-CE2 4.36Å; I29-F77 HydrophobicContact CD1-CE2 4.37Å; F77-R79 PolarHBondContact O-N 3.41Å |
| 78 | G | 88.9 | Confident | 92.2 | Very high | 59 Ų | 59 | 71.4 Ų | 71.4 | 61% | 0.608 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.2 | -1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q75 L76 | Q75-G78 PolarHBondContact NE2-O 3.03Å; L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.14Å |
| 79 | R | 91.5 | Very high | 91.5 | Very high | 93 Ų | 93 | 77.3 Ų | 77.3 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 137.8 | 177.5 | -64.1 | -175.1 | 179.2 | -178.6 | -1.6 | 111.4 | Q75 L76 F77 I81 | Q75-R79 CarbonylContact C-O 3.39Å; Q75-R79 WeakPolarHBondContact CA-O 3.31Å; L76-R79 PolarHBondContact N-O 3.25Å; L76-R79 PolarHBondContact O-N 3.45Å; F77-R79 PolarHBondContact O-N 3.41Å; R79-I81 PolarHBondContact O-N 3.36Å |
| 80 | V | 94.5 | Very high | 90.5 | Very high | 67 Ų | 67 | 70.6 Ų | 70.6 | 41% | 0.406 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 114.8 | 173.9 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | N16 N73 K74 Q75 | N16-V80 PolarHBondContact ND2-O 2.83Å; N73-V80 HydrophobicContact CB-CG1 4.31Å; K74-V80 CarbonylContact O-C 3.54Å; K74-V80 WeakPolarHBondContact O-CA 3.35Å; Q75-V80 HydrophobicContact CG-CG2 4.49Å |
| 81 | I | 94.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 41% | 0.405 | C | S | . | . | trans | -88.1 | 149.2 | 178.4 | 57.9 | 146.4 | 0 | 0 | 0 | 110.9 | V14 L17 L71 N73 K74 L76 R79 | V14-I81 HydrophobicContact CG1-CD1 4.37Å; L17-I81 HydrophobicContact CD2-CG2 3.91Å; L71-I81 HydrophobicContact CB-CD1 3.86Å; L71-I81 HydrophobicContact CD1-CD1 4.49Å; L71-I81 HydrophobicContact CD2-CD1 4.32Å; L71-I81 HydrophobicContact CG-CD1 4.47Å; N73-I81 VanDerWaalsContact CA-O 3.31Å; N73-I81 WeakPolarHBondContact CA-O 3.39Å; N73-I81 PolarHBondContact N-O 3.5Å; K74-I81 WeakPolarHBondContact O-CG1 3.18Å; K74-I81 PolarHBondContact O-N 2.84Å; L76-I81 HydrophobicContact CB-CG2 4.1Å; L76-I81 HydrophobicContact CD1-CD1 3.43Å; L76-I81 VanDerWaalsContact CD1-CD1 3.43Å; L76-I81 HydrophobicContact CD1-CG1 3.92Å; L76-I81 HydrophobicContact CD1-CG2 4.13Å; L76-I81 HydrophobicContact CG-CD1 4.13Å; L76-I81 HydrophobicContact CG-CG1 4.17Å; L76-I81 HydrophobicContact CG-CG2 4.46Å; R79-I81 PolarHBondContact O-N 3.36Å | ||
| 82 | K | 95.1 | Very high | 88.1 | Confident | 123 Ų | 123 | 78.5 Ų | 78.5 | 54% | 0.535 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 127.1 | 173 | -68.3 | -180 | 177.9 | -179.8 | 0 | 108.9 | V14 S15 | V14-K82 WeakPolarHBondContact CA-O 3.42Å; S15-K82 PolarHBondContact N-O 2.83Å; S15-K82 PolarHBondContact O-N 2.92Å; S15-K82 VanDerWaalsContact O-N 3.1Å; S15-K82 WeakPolarHBondContact OG-CB 3.36Å; S15-K82 PolarHBondContact OG-O 2.98Å |
| 83 | A | 95.1 | Very high | 86.7 | Confident | 4 Ų | 4 | 77.9 Ų | 77.9 | 3% | 0.033 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 128.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | V12 Y13 L71 | V12-A83 HydrophobicContact CG1-CB 4.38Å; Y13-A83 WeakPolarHBondContact O-CA 3.19Å; L71-A83 HydrophobicContact CB-CB 3.97Å |
| 84 | S | 94.8 | Very high | 85.1 | Confident | 54 Ų | 54 | 78.6 Ų | 78.6 | 38% | 0.378 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 163.4 | 177.1 | 68.1 | 0 | 0 | 0 | 0 | 110.4 | Y13 A86 | Y13-S84 PolarHBondContact N-O 2.89Å; Y13-S84 PolarHBondContact O-N 3.32Å; S84-A86 PolarHBondContact O-N 3.31Å |
| 85 | I | 94.1 | Very high | 83.3 | Confident | 63 Ų | 63 | 81.8 Ų | 81.8 | 32% | 0.323 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 135.6 | 168.4 | -58.5 | 173.1 | 0 | 0 | 0 | 107.7 | Q65 I87 | Q65-I85 HydrophobicContact CG-CD1 4.04Å; I85-I87 PolarHBondContact O-N 2.79Å |
| 86 | A | 92.3 | Very high | 81.8 | Confident | 9 Ų | 9 | 80.4 Ų | 80.4 | 7% | 0.074 | 43% | 0.43 | C | S | . | . | trans | -66.8 | 134.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | P7 T11 F55 S84 | P7-A86 HydrophobicContact CB-CB 4.03Å; T11-A86 HydrophobicContact CG2-CB 3.79Å; T11-A86 WeakPolarHBondContact O-CB 3.33Å; T11-A86 PolarHBondContact O-N 3.11Å; F55-A86 HydrophobicContact CD1-CB 4.1Å; F55-A86 HydrophobicContact CE1-CB 4.2Å; S84-A86 PolarHBondContact O-N 3.31Å | ||
| 87 | I | 88.8 | Confident | 80.5 | Confident | 137 Ų | 137 | 88 Ų | 88 | 70% | 0.703 | 46% | 0.456 | S | S | * | . | trans | -105.2 | 135.5 | 176.7 | -57.4 | 173.6 | 0 | 0 | 0 | 107.7 | I85 N89 | I85-I87 PolarHBondContact O-N 2.79Å; I87-N89 PolarHBondContact O-OD1 2.76Å | ||
| 88 | D | 83.5 | Confident | 79 | Confident | 70 Ų | 70 | 90.2 Ų | 90.2 | 37% | 0.374 | 46% | 0.46 | S | S | . | . | trans | -74.8 | 126.2 | 175.8 | -80.1 | 21.7 | 0 | 0 | 0 | 110.4 | P7 G90 | P7-D88 WeakPolarHBondContact CA-OD1 3.38Å; P7-D88 WeakPolarHBondContact CB-OD1 3.32Å; P7-D88 WeakPolarHBondContact CD-OD1 3.25Å; P7-D88 WeakPolarHBondContact CG-OD1 3.5Å; D88-G90 PolarHBondContact O-N 3.09Å | ||
| 89 | N | 80.8 | Confident | 77.1 | Confident | 138 Ų | 138 | 96.6 Ų | 96.6 | 74% | 0.738 | 47% | 0.466 | S | S | * | . | trans | -77.3 | 18 | 175.1 | -57.8 | 0.7 | 0 | 0 | 0 | 112.5 | I87 R91 | I87-N89 PolarHBondContact O-OD1 2.76Å; N89-R91 PolarHBondContact O-N 3.36Å | ||
| 90 | G | 72.8 | Confident | 75.5 | Confident | 50 Ų | 50 | 97 Ų | 97 | 52% | 0.515 | 48% | 0.475 | S | S | . | . | S | Bend | trans | 68.8 | -24.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | D88 A92 A93 | D88-G90 PolarHBondContact O-N 3.09Å; G90-A92 PolarHBondContact O-N 2.93Å; G90-A93 PolarHBondContact O-N 3.28Å |
| 91 | R | 68.7 | Low | 73.8 | Confident | 163 Ų | 163 | 101.8 Ų | 101.8 | 62% | 0.615 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.7 | -21.9 | 179.6 | -83.5 | -168.6 | 173.8 | 103.3 | -1.9 | 114.6 | N89 A93 E94 F95 | N89-R91 PolarHBondContact O-N 3.36Å; R91-A93 VanDerWaalsContact C-N 3.27Å; R91-A93 PolarHBondContact O-N 3.1Å; R91-E94 PolarHBondContact O-N 2.84Å; R91-F95 WeakPolarHBondContact O-CD2 3.42Å; R91-F95 PolarHBondContact O-N 3.32Å |
| 92 | A | 65.9 | Low | 71.8 | Confident | 27 Ų | 27 | 109.9 Ų | 109.9 | 22% | 0.223 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -59 | -41.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A6 G90 E94 F95 I96 | A6-A92 HydrophobicContact CB-CB 4.33Å; G90-A92 PolarHBondContact O-N 2.93Å; A92-E94 PolarHBondContact O-N 3.25Å; A92-F95 PolarHBondContact O-N 3.5Å; A92-I96 WeakPolarHBondContact O-CB 3.37Å; A92-I96 WeakPolarHBondContact O-CD1 3.37Å; A92-I96 WeakPolarHBondContact O-CG1 3.39Å; A92-I96 PolarHBondContact O-N 2.79Å |
| 93 | A | 64 | Low | 70.1 | Confident | 60 Ų | 60 | 110 Ų | 110 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G90 R91 I96 R97 | G90-A93 PolarHBondContact O-N 3.28Å; R91-A93 VanDerWaalsContact C-N 3.27Å; R91-A93 PolarHBondContact O-N 3.1Å; A93-I96 PolarHBondContact O-N 3.4Å; A93-R97 WeakPolarHBondContact O-CG 3.22Å; A93-R97 PolarHBondContact O-N 2.99Å |
| 94 | E | 60.1 | Low | 68.5 | Low | 120 Ų | 120 | 116.6 Ų | 116.6 | 56% | 0.561 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.7 | -35.3 | 175.9 | -64.6 | -172.5 | 148.2 | 0 | 0 | 112.7 | R91 A92 | R91-E94 PolarHBondContact O-N 2.84Å; A92-E94 PolarHBondContact O-N 3.25Å |
| 95 | F | 56.4 | Low | 67.3 | Low | 164 Ų | 164 | 116.2 Ų | 116.2 | 72% | 0.719 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -79.6 | -29.3 | 174.7 | -88.3 | -89.5 | 0 | 0 | 0 | 113.2 | R91 A92 R97 | R91-F95 WeakPolarHBondContact O-CD2 3.42Å; R91-F95 PolarHBondContact O-N 3.32Å; A92-F95 PolarHBondContact O-N 3.5Å; F95-R97 VanDerWaalsContact C-N 3.35Å |
| 96 | I | 61.2 | Low | 66.4 | Low | 111 Ų | 111 | 119.8 Ų | 119.8 | 57% | 0.569 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.2 | -32 | 174.2 | -70.9 | 162.8 | 0 | 0 | 0 | 110.9 | A6 A92 A93 R98 | A6-I96 HydrophobicContact CB-CD1 4.31Å; A92-I96 WeakPolarHBondContact O-CB 3.37Å; A92-I96 WeakPolarHBondContact O-CD1 3.37Å; A92-I96 WeakPolarHBondContact O-CG1 3.39Å; A92-I96 PolarHBondContact O-N 2.79Å; A93-I96 PolarHBondContact O-N 3.4Å; I96-R98 PolarHBondContact O-N 2.83Å |
| 97 | R | 59.3 | Low | 65.7 | Low | 190 Ų | 190 | 119.5 Ų | 119.5 | 72% | 0.717 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -58.1 | 98.9 | 161.4 | -73 | 178.3 | -175.6 | 156.4 | 1.5 | 105.7 | A93 F95 R99 | A93-R97 WeakPolarHBondContact O-CG 3.22Å; A93-R97 PolarHBondContact O-N 2.99Å; F95-R97 VanDerWaalsContact C-N 3.35Å; R97-R99 PolarHBondContact O-N 3.35Å |
| 98 | R | 56.2 | Low | 65.2 | Low | 192 Ų | 192 | 122.6 Ų | 122.6 | 73% | 0.725 | 57% | 0.569 | S | S | * | * | trans | -39.1 | 124.2 | 171.1 | -75.6 | 175 | 171.5 | 174.3 | -9.2 | 105.6 | I96 N100 | I96-R98 PolarHBondContact O-N 2.83Å; R98-N100 PolarHBondContact O-N 3.15Å | ||
| 99 | R | 50.2 | Low | 64.6 | Low | 193 Ų | 193 | 123.2 Ų | 123.2 | 73% | 0.728 | 57% | 0.57 | S | S | * | * | trans | -48.1 | 99.4 | 166 | -103.9 | -177 | -78 | 163.2 | -4.2 | 105.3 | R97 Y101 | R97-R99 PolarHBondContact O-N 3.35Å; R99-Y101 HydrophobicContact CB-CE2 4.32Å; R99-Y101 PolarHBondContact O-N 3.26Å | ||
| 100 | N | 57.8 | Low | 64.5 | Low | 102 Ų | 102 | 118.1 Ų | 118.1 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | trans | -74.4 | 101 | 172.7 | -161.3 | 45.5 | 0 | 0 | 0 | 100.9 | R98 F102 | R98-N100 PolarHBondContact O-N 3.15Å; N100-F102 HydrophobicContact CB-CD2 3.94Å; N100-F102 HydrophobicContact CB-CE2 3.69Å; N100-F102 HydrophobicContact CB-CZ 4.15Å; N100-F102 WeakPolarHBondContact ND2-CD1 3.13Å; N100-F102 WeakPolarHBondContact ND2-CE1 3.41Å; N100-F102 WeakPolarHBondContact ND2-CE2 3.45Å; N100-F102 WeakPolarHBondContact ND2-CZ 3.44Å; N100-F102 VanDerWaalsContact O-CD2 3.27Å; N100-F102 WeakPolarHBondContact O-CD2 3.48Å; N100-F102 PolarHBondContact O-N 3.01Å | ||
| 101 | Y | 57.7 | Low | 64.6 | Low | 168 Ų | 168 | 118.1 Ų | 118.1 | 66% | 0.659 | 55% | 0.545 | S | S | * | . | trans | -61.5 | 95.2 | 166.5 | -76.8 | -95.5 | 0 | 0 | 0 | 104.3 | R99 D103 | R99-Y101 HydrophobicContact CB-CE2 4.32Å; R99-Y101 PolarHBondContact O-N 3.26Å; Y101-D103 PolarHBondContact O-N 2.92Å | ||
| 102 | F | 53.8 | Low | 65.1 | Low | 170 Ų | 170 | 114.3 Ų | 114.3 | 75% | 0.746 | 53% | 0.534 | S | S | * | . | trans | -68.2 | -9.2 | -177.3 | -89.4 | -77.6 | 0 | 0 | 0 | 111.8 | N100 | N100-F102 HydrophobicContact CB-CD2 3.94Å; N100-F102 HydrophobicContact CB-CE2 3.69Å; N100-F102 HydrophobicContact CB-CZ 4.15Å; N100-F102 WeakPolarHBondContact ND2-CD1 3.13Å; N100-F102 WeakPolarHBondContact ND2-CE1 3.41Å; N100-F102 WeakPolarHBondContact ND2-CE2 3.45Å; N100-F102 WeakPolarHBondContact ND2-CZ 3.44Å; N100-F102 VanDerWaalsContact O-CD2 3.27Å; N100-F102 WeakPolarHBondContact O-CD2 3.48Å; N100-F102 PolarHBondContact O-N 3.01Å | ||
| 103 | D | 58.9 | Low | 65.5 | Low | 126 Ų | 126 | 116.8 Ų | 116.8 | 67% | 0.674 | 56% | 0.555 | S | S | * | * | trans | -110.5 | 76.3 | 179.6 | -67.3 | -44.4 | 0 | 0 | 0 | 111.6 | Y101 S105 | Y101-D103 PolarHBondContact O-N 2.92Å; D103-S105 WeakPolarHBondContact CB-OG 3.43Å; D103-S105 PolarHBondContact O-N 3.17Å | ||
| 104 | K | 61.1 | Low | 66.1 | Low | 141 Ų | 141 | 117.7 Ų | 117.7 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | trans | -80.8 | 36.1 | 143.4 | -63.9 | -178.2 | -168.6 | -178.1 | 0 | 109.7 | K106 L116 | K104-K106 PolarHBondContact O-N 3.45Å; K104-L116 HydrophobicContact CB-CD2 3.72Å; K104-L116 HydrophobicContact CB-CG 4.36Å; K104-L116 HydrophobicContact CD-CD1 3.89Å; K104-L116 HydrophobicContact CD-CD2 4.08Å; K104-L116 HydrophobicContact CD-CG 4.42Å; K104-L116 HydrophobicContact CG-CD2 4.26Å | ||
| 105 | S | 68.9 | Low | 66.9 | Low | 46 Ų | 46 | 113.8 Ų | 113.8 | 32% | 0.322 | 55% | 0.551 | S | S | . | * | trans | -82.3 | 5.9 | -161.1 | 58.4 | 0 | 0 | 0 | 0 | 113.3 | D103 A113 | D103-S105 WeakPolarHBondContact CB-OG 3.43Å; D103-S105 PolarHBondContact O-N 3.17Å; S105-A113 WeakPolarHBondContact O-CA 3.43Å; S105-A113 WeakPolarHBondContact O-CB 3.4Å | ||
| 106 | K | 75.2 | Confident | 67.8 | Low | 139 Ų | 139 | 108.9 Ų | 108.9 | 60% | 0.604 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -138.7 | 132.8 | 176.7 | -60.6 | -176.4 | -174.6 | -175.2 | 0 | 110.1 | K104 E112 | K104-K106 PolarHBondContact O-N 3.45Å; K106-E112 WeakPolarHBondContact CA-O 3.39Å |
| 107 | C | 79.6 | Confident | 68.6 | Low | 3 Ų | 3 | 104.3 Ų | 104.3 | 2% | 0.02 | 51% | 0.51 | C | S | . | . | trans | -66.6 | 133.1 | 167.9 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | E109 C110 G111 E112 H115 S117 C120 | C107-E109 PolarHBondContact O-N 3.45Å; C107-E109 PolarHBondContact SG-N 2.82Å; C107-C110 VanDerWaalsContact CB-SG 3.52Å; C107-C110 PolarHBondContact SG-N 3.02Å; C107-C110 PolarHBondContact SG-SG 2.78Å; C107-G111 VanDerWaalsContact O-CA 3.25Å; C107-G111 WeakPolarHBondContact O-CA 3.03Å; C107-G111 PolarHBondContact O-N 3.17Å; C107-E112 PolarHBondContact N-O 2.82Å; C107-H115 WeakPolarHBondContact CB-NE2 3.33Å; C107-H115 PolarHBondContact N-O 2.87Å; C107-S117 VanDerWaalsContact SG-CA 3.51Å; C107-C120 WeakPolarHBondContact SG-CB 2.85Å | ||
| 108 | Y | 77.1 | Confident | 69.3 | Low | 201 Ų | 201 | 101.2 Ų | 101.2 | 79% | 0.788 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -10.7 | 177.8 | -62.7 | -84.8 | 0 | 0 | 0 | 113.4 | S117 | Y108-S117 WeakPolarHBondContact CB-OG 3.4Å; Y108-S117 PolarHBondContact N-OG 3.35Å |
| 109 | E | 71.8 | Confident | 70.1 | Confident | 83 Ų | 83 | 95.4 Ų | 95.4 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -47.6 | 177.7 | -66.7 | 176 | -177.3 | 0 | 0 | 111.4 | C107 N123 | C107-E109 PolarHBondContact O-N 3.45Å; C107-E109 PolarHBondContact SG-N 2.82Å; E109-N123 WeakPolarHBondContact OE2-CA 2.89Å; E109-N123 VanDerWaalsContact OE2-CB 3.23Å; E109-N123 WeakPolarHBondContact OE2-CB 3.4Å; E109-N123 PolarHBondContact OE2-OD1 2.77Å |
| 110 | C | 78.6 | Confident | 71.5 | Confident | 31 Ų | 31 | 86.7 Ų | 86.7 | 21% | 0.209 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -4.4 | -173 | 50 | 0 | 0 | 0 | 0 | 114.7 | C107 E112 H115 C120 K122 | C107-C110 VanDerWaalsContact CB-SG 3.52Å; C107-C110 PolarHBondContact SG-N 3.02Å; C107-C110 PolarHBondContact SG-SG 2.78Å; C110-E112 PolarHBondContact O-N 2.84Å; C110-H115 PolarHBondContact SG-NE2 2.94Å; C110-C120 WeakPolarHBondContact CB-SG 3.26Å; C110-C120 WeakPolarHBondContact SG-CB 3.36Å; C110-C120 CovalentContact SG-SG 2.09Å; C110-C120 PolarHBondContact SG-SG 2.88Å; C110-K122 HydrophobicContact CB-CB 4.16Å; C110-K122 HydrophobicContact CB-CD 4Å |
| 111 | G | 75.3 | Confident | 72.5 | Confident | 51 Ų | 51 | 87.1 Ų | 87.1 | 53% | 0.526 | 47% | 0.469 | S | S | . | . | trans | 71.3 | -9.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | C107 | C107-G111 VanDerWaalsContact O-CA 3.25Å; C107-G111 WeakPolarHBondContact O-CA 3.03Å; C107-G111 PolarHBondContact O-N 3.17Å | ||
| 112 | E | 77.3 | Confident | 73.4 | Confident | 83 Ų | 83 | 85 Ų | 85 | 39% | 0.388 | 46% | 0.464 | S | S | . | . | trans | -72.9 | 149 | 179.4 | -72.7 | 171.8 | -162.8 | 0 | 0 | 112.1 | K106 C107 C110 K122 | K106-E112 WeakPolarHBondContact CA-O 3.39Å; C107-E112 PolarHBondContact N-O 2.82Å; C110-E112 PolarHBondContact O-N 2.84Å; E112-K122 IonicContact OE1-NZ 2.83Å; E112-K122 PolarHBondContact OE1-NZ 3.16Å | ||
| 113 | A | 74.8 | Confident | 74.5 | Confident | 79 Ų | 79 | 78 Ų | 78 | 65% | 0.653 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -90 | 143.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S105 | S105-A113 WeakPolarHBondContact O-CA 3.43Å; S105-A113 WeakPolarHBondContact O-CB 3.4Å |
| 114 | G | 76.9 | Confident | 75.3 | Confident | 78 Ų | 78 | 80.9 Ų | 80.9 | 80% | 0.804 | 45% | 0.445 | S | S | * | . | S | Bend | trans | 117.1 | -10 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 115 | H | 77.2 | Confident | 75.7 | Confident | 39 Ų | 39 | 79.6 Ų | 79.6 | 18% | 0.181 | 44% | 0.444 | C | S | . | . | S | Bend | trans | -150.5 | 163.8 | 176.4 | 64.5 | -88 | 0 | 0 | 0 | 112.6 | C107 C110 C120 | C107-H115 WeakPolarHBondContact CB-NE2 3.33Å; C107-H115 PolarHBondContact N-O 2.87Å; C110-H115 PolarHBondContact SG-NE2 2.94Å; H115-C120 WeakPolarHBondContact CD2-CA 3.41Å; H115-C120 WeakPolarHBondContact NE2-CA 3.31Å; H115-C120 VanDerWaalsContact NE2-CB 3.32Å; H115-C120 WeakPolarHBondContact NE2-CB 3.31Å; H115-C120 PolarHBondContact NE2-SG 3.37Å; H115-C120 VanDerWaalsContact NE2-SG 3.41Å |
| 116 | L | 75.6 | Confident | 75.7 | Confident | 60 Ų | 60 | 79.2 Ų | 79.2 | 31% | 0.314 | 45% | 0.448 | S | S | . | . | trans | -94.9 | 159.7 | 174.1 | -78.1 | 172.5 | 0 | 0 | 0 | 110.5 | K104 Y118 A119 C120 | K104-L116 HydrophobicContact CB-CD2 3.72Å; K104-L116 HydrophobicContact CB-CG 4.36Å; K104-L116 HydrophobicContact CD-CD1 3.89Å; K104-L116 HydrophobicContact CD-CD2 4.08Å; K104-L116 HydrophobicContact CD-CG 4.42Å; K104-L116 HydrophobicContact CG-CD2 4.26Å; L116-Y118 PolarHBondContact O-N 3Å; L116-A119 CarbonylContact O-C 3.58Å; L116-A119 WeakPolarHBondContact O-CA 3.15Å; L116-A119 PolarHBondContact O-N 3.46Å; L116-C120 PolarHBondContact O-N 2.87Å | ||
| 117 | S | 76.9 | Confident | 75.4 | Confident | 16 Ų | 16 | 82.1 Ų | 82.1 | 11% | 0.112 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -48.1 | -39.2 | 178.1 | -53.5 | 0 | 0 | 0 | 0 | 114.2 | C107 Y108 A119 C120 | C107-S117 VanDerWaalsContact SG-CA 3.51Å; Y108-S117 WeakPolarHBondContact CB-OG 3.4Å; Y108-S117 PolarHBondContact N-OG 3.35Å; S117-A119 PolarHBondContact O-N 2.99Å; S117-A119 VanDerWaalsContact O-N 3.12Å; S117-C120 PolarHBondContact O-N 3.17Å; S117-C120 VanDerWaalsContact O-N 3.15Å |
| 118 | Y | 75.3 | Confident | 75.1 | Confident | 125 Ų | 125 | 87.5 Ų | 87.5 | 49% | 0.49 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -61.6 | -21.2 | 177.3 | -61.2 | -75.1 | 0 | 0 | 0 | 114.7 | L116 R128 | L116-Y118 PolarHBondContact O-N 3Å; Y118-R128 HydrophobicContact CD1-CB 4.2Å |
| 119 | A | 72.3 | Confident | 74.8 | Confident | 70 Ų | 70 | 86.2 Ų | 86.2 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -122 | 22.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L116 S117 | L116-A119 CarbonylContact O-C 3.58Å; L116-A119 WeakPolarHBondContact O-CA 3.15Å; L116-A119 PolarHBondContact O-N 3.46Å; S117-A119 PolarHBondContact O-N 2.99Å; S117-A119 VanDerWaalsContact O-N 3.12Å |
| 120 | C | 78.8 | Confident | 74.9 | Confident | 9 Ų | 9 | 86.6 Ų | 86.6 | 6% | 0.061 | 49% | 0.494 | C | S | . | . | trans | -73.9 | 127 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | C107 C110 H115 L116 S117 K122 N123 | C107-C120 WeakPolarHBondContact SG-CB 2.85Å; C110-C120 WeakPolarHBondContact CB-SG 3.26Å; C110-C120 WeakPolarHBondContact SG-CB 3.36Å; C110-C120 CovalentContact SG-SG 2.09Å; C110-C120 PolarHBondContact SG-SG 2.88Å; H115-C120 WeakPolarHBondContact CD2-CA 3.41Å; H115-C120 WeakPolarHBondContact NE2-CA 3.31Å; H115-C120 VanDerWaalsContact NE2-CB 3.32Å; H115-C120 WeakPolarHBondContact NE2-CB 3.31Å; H115-C120 PolarHBondContact NE2-SG 3.37Å; H115-C120 VanDerWaalsContact NE2-SG 3.41Å; L116-C120 PolarHBondContact O-N 2.87Å; S117-C120 PolarHBondContact O-N 3.17Å; S117-C120 VanDerWaalsContact O-N 3.15Å; C120-K122 PolarHBondContact O-N 3.22Å; C120-K122 PolarHBondContact SG-N 3.14Å; C120-N123 HydrophobicContact CB-CB 4.23Å; C120-N123 WeakPolarHBondContact O-CB 3.01Å; C120-N123 PolarHBondContact O-N 3.04Å | ||
| 121 | P | 79.6 | Confident | 74.7 | Confident | 111 Ų | 111 | 89.7 Ų | 89.7 | 72% | 0.721 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.4 | 176.7 | 28.5 | -35 | 0 | 0 | 0 | 112.5 | ||
| 122 | K | 76.9 | Confident | 74.8 | Confident | 125 Ų | 125 | 96.5 Ų | 96.5 | 54% | 0.543 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 12.2 | 173.5 | -60.3 | 175.2 | 177.5 | 168.1 | 0 | 112.8 | C110 E112 C120 M124 | C110-K122 HydrophobicContact CB-CB 4.16Å; C110-K122 HydrophobicContact CB-CD 4Å; E112-K122 IonicContact OE1-NZ 2.83Å; E112-K122 PolarHBondContact OE1-NZ 3.16Å; C120-K122 PolarHBondContact O-N 3.22Å; C120-K122 PolarHBondContact SG-N 3.14Å; K122-M124 PolarHBondContact O-N 2.93Å |
| 123 | N | 76.9 | Confident | 74.5 | Confident | 22 Ų | 22 | 101.9 Ų | 101.9 | 12% | 0.118 | 55% | 0.551 | C | S | . | * | trans | -68.3 | 103.1 | -179.9 | 178.4 | 1.3 | 0 | 0 | 0 | 110.2 | E109 C120 L125 G126 | E109-N123 WeakPolarHBondContact OE2-CA 2.89Å; E109-N123 VanDerWaalsContact OE2-CB 3.23Å; E109-N123 WeakPolarHBondContact OE2-CB 3.4Å; E109-N123 PolarHBondContact OE2-OD1 2.77Å; C120-N123 HydrophobicContact CB-CB 4.23Å; C120-N123 WeakPolarHBondContact O-CB 3.01Å; C120-N123 PolarHBondContact O-N 3.04Å; N123-L125 PolarHBondContact O-N 3.13Å; N123-L125 WeakPolarHBondContact OD1-CB 3.47Å; N123-L125 PolarHBondContact OD1-N 3.43Å; N123-G126 PolarHBondContact ND2-O 3.25Å; N123-G126 PolarHBondContact O-N 3.5Å | ||
| 124 | M | 75.1 | Confident | 74.3 | Confident | 186 Ų | 186 | 108 Ų | 108 | 92% | 0.916 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -14.1 | -179.9 | -67.5 | -81.9 | -71.9 | 0 | 0 | 113.6 | K122 | K122-M124 PolarHBondContact O-N 2.93Š|
| 125 | L | 69.9 | Low | 74 | Confident | 114 Ų | 114 | 112.9 Ų | 112.9 | 60% | 0.597 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | 8.2 | -176.1 | -67.9 | 157.2 | 0 | 0 | 0 | 112.9 | N123 | N123-L125 PolarHBondContact O-N 3.13Å; N123-L125 WeakPolarHBondContact OD1-CB 3.47Å; N123-L125 PolarHBondContact OD1-N 3.43Å |
| 126 | G | 69.3 | Low | 73.4 | Confident | 38 Ų | 38 | 118.8 Ų | 118.8 | 39% | 0.392 | 59% | 0.59 | S | S | . | * | trans | 74.6 | 178.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N123 R128 | N123-G126 PolarHBondContact ND2-O 3.25Å; N123-G126 PolarHBondContact O-N 3.5Å; G126-R128 PolarHBondContact O-N 3.1Å | ||
| 127 | E | 69.3 | Low | 72.5 | Confident | 200 Ų | 200 | 125.9 Ų | 125.9 | 94% | 0.935 | 62% | 0.619 | S | S | * | * | trans | -65.3 | 117.8 | 179.4 | -65.6 | -177 | -177.6 | 0 | 0 | 110.7 | ||||
| 128 | R | 72.7 | Confident | 71.4 | Confident | 116 Ų | 116 | 134.6 Ų | 134.6 | 44% | 0.438 | 65% | 0.654 | S | S | . | * | trans | -107.8 | 125.4 | 177.9 | -71.6 | 173 | 172 | -172.1 | -9.9 | 109.2 | Y118 G126 | Y118-R128 HydrophobicContact CD1-CB 4.2Å; G126-R128 PolarHBondContact O-N 3.1Å | ||
| 129 | E | 70.6 | Confident | 70.4 | Confident | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -63 | 127.4 | 173.2 | -68.6 | -169.9 | 173.6 | 0 | 0 | 110.2 | ||
| 130 | P | 73.7 | Confident | 69.1 | Low | 91 Ų | 91 | 146.6 Ų | 146.6 | 59% | 0.591 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 142.9 | 177.2 | 25.5 | -33 | 0 | 0 | 0 | 109.7 | K132 | P130-K132 PolarHBondContact O-N 3.41Š|
| 131 | P | 74.6 | Confident | 67.4 | Low | 96 Ų | 96 | 155.4 Ų | 155.4 | 62% | 0.623 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 131.2 | -179.7 | 22.8 | -33.1 | 0 | 0 | 0 | 110.6 | K133 | P131-K133 PolarHBondContact O-N 2.86Å; P131-K133 VanDerWaalsContact O-N 3.16Å |
| 132 | K | 77.4 | Confident | 65.8 | Low | 194 Ų | 194 | 157.7 Ų | 157.7 | 84% | 0.843 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 123.1 | 177.6 | -69 | -177.8 | -179.5 | 177.2 | 0 | 109.3 | P130 K134 | P130-K132 PolarHBondContact O-N 3.41Å; K132-K134 PolarHBondContact O-N 2.86Å; K132-K134 VanDerWaalsContact O-N 3.14Å |
| 133 | K | 71.6 | Confident | 64.1 | Low | 197 Ų | 197 | 157.6 Ų | 157.6 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -59 | 122.4 | 175.3 | -72.1 | 177.3 | -176.6 | 166.9 | 0 | 107.7 | P131 E135 | P131-K133 PolarHBondContact O-N 2.86Å; P131-K133 VanDerWaalsContact O-N 3.16Å; K133-E135 PolarHBondContact O-N 3.41Å |
| 134 | K | 68.8 | Low | 62.8 | Low | 206 Ų | 206 | 164.6 Ų | 164.6 | 90% | 0.896 | 77% | 0.773 | S | S | * | * | trans | -56.4 | 108.8 | 173.5 | -71.4 | -177.4 | 178.2 | 179.2 | 0 | 108.6 | K132 K136 | K132-K134 PolarHBondContact O-N 2.86Å; K132-K134 VanDerWaalsContact O-N 3.14Å; K134-K136 PolarHBondContact O-N 3.32Å | ||
| 135 | E | 70.9 | Confident | 61.4 | Low | 182 Ų | 182 | 161.7 Ų | 161.7 | 85% | 0.85 | 77% | 0.768 | S | S | * | * | trans | -61.6 | 128.2 | 173.1 | -66.8 | -167.2 | 143 | 0 | 0 | 108.7 | K133 K137 | K133-E135 PolarHBondContact O-N 3.41Å; E135-K137 PolarHBondContact O-N 2.91Å; E135-K137 VanDerWaalsContact O-N 3.1Å | ||
| 136 | K | 65.5 | Low | 60 | Low | 163 Ų | 163 | 165 Ų | 165 | 71% | 0.709 | 78% | 0.78 | S | S | * | * | trans | -69.7 | 111.4 | 172 | -66.3 | -178.2 | -177.3 | 177.3 | 0 | 106.5 | K134 K138 | K134-K136 PolarHBondContact O-N 3.32Å; K136-K138 PolarHBondContact O-N 2.93Å | ||
| 137 | K | 56 | Low | 58.6 | Low | 209 Ų | 209 | 172.8 Ų | 172.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | -54.3 | 102 | 167.1 | -69.3 | -173.2 | 177.5 | -174 | 0 | 108 | E135 R139 | E135-K137 PolarHBondContact O-N 2.91Å; E135-K137 VanDerWaalsContact O-N 3.1Å; K137-R139 PolarHBondContact O-N 3.49Å | ||
| 138 | K | 54.2 | Low | 57 | Low | 198 Ų | 198 | 170.8 Ų | 170.8 | 86% | 0.861 | 80% | 0.8 | S | S | * | * | trans | -65.7 | 117.8 | 165.2 | -75 | -177.2 | 179.4 | 177.4 | 0 | 105.2 | K136 K140 | K136-K138 PolarHBondContact O-N 2.93Å; K138-K140 PolarHBondContact O-N 2.92Å | ||
| 139 | R | 53.8 | Low | 55.6 | Low | 245 Ų | 245 | 174.1 Ų | 174.1 | 93% | 0.925 | 82% | 0.821 | S | S | * | * | trans | -57.8 | 115.8 | 167.3 | -67.4 | 178 | 87.2 | -171.6 | 5.1 | 105.3 | K137 K141 | K137-R139 PolarHBondContact O-N 3.49Å; R139-K141 PolarHBondContact O-N 3.38Å | ||
| 140 | K | 46.6 | Very low | 54 | Low | 202 Ų | 202 | 174.9 Ų | 174.9 | 88% | 0.878 | 83% | 0.825 | S | S | * | * | trans | -55.1 | 125.3 | 172.7 | -83.2 | -176.2 | 174.7 | -177.3 | 0 | 106.5 | K138 I142 | K138-K140 PolarHBondContact O-N 2.92Å; K140-I142 PolarHBondContact O-N 3.23Å | ||
| 141 | K | 43.1 | Very low | 52.2 | Low | 194 Ų | 194 | 179.7 Ų | 179.7 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | -63.4 | 116.2 | 169.1 | -156.6 | -179.4 | -178 | -165.2 | 0 | 104.5 | R139 V143 | R139-K141 PolarHBondContact O-N 3.38Å; K141-V143 PolarHBondContact O-N 3.32Å; K141-V143 VanDerWaalsContact O-N 3.15Å | ||
| 142 | I | 44.5 | Very low | 50.5 | Low | 160 Ų | 160 | 184.5 Ų | 184.5 | 82% | 0.821 | 85% | 0.853 | S | S | * | * | trans | -62.2 | 115.9 | 170.2 | -63.1 | 161.4 | 0 | 0 | 0 | 104.2 | K140 | K140-I142 PolarHBondContact O-N 3.23Š| ||
| 143 | V | 42.5 | Very low | 48.3 | Very low | 122 Ų | 122 | 184 Ų | 184 | 74% | 0.739 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 116.7 | 170.7 | 177.4 | 0 | 0 | 0 | 0 | 104.1 | K141 | K141-V143 PolarHBondContact O-N 3.32Å; K141-V143 VanDerWaalsContact O-N 3.15Å |
| 144 | E | 48.8 | Very low | 46.4 | Very low | 170 Ų | 170 | 180.1 Ų | 180.1 | 79% | 0.794 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 129.8 | 167.3 | -75 | 179 | 154.7 | 0 | 0 | 107.6 | E146 | E144-E146 PolarHBondContact O-N 2.88Š|
| 145 | P | 46 | Very low | 45.2 | Very low | 125 Ų | 125 | 179.3 Ų | 179.3 | 81% | 0.812 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 127.3 | 169.8 | -7.9 | 23.7 | 0 | 0 | 0 | 108.8 | ||
| 146 | E | 39.6 | Very low | 43.8 | Very low | 183 Ų | 183 | 180 Ų | 180 | 86% | 0.855 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 141.8 | 169.7 | -65.1 | 178.4 | 162.5 | 0 | 0 | 109.6 | E144 I148 | E144-E146 PolarHBondContact O-N 2.88Å; E146-I148 PolarHBondContact O-N 2.9Å |
| 147 | E | 40 | Very low | 43 | Very low | 201 Ų | 201 | 181.7 Ų | 181.7 | 94% | 0.939 | 87% | 0.865 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 122.8 | 176 | -67.8 | 171.3 | 159.9 | 0 | 0 | 109.9 | ||
| 148 | I | 37.2 | Very low | 42.1 | Very low | 158 Ų | 158 | 175.3 Ų | 175.3 | 81% | 0.81 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 126.5 | 169.2 | -69.2 | 165.6 | 0 | 0 | 0 | 106.4 | E146 E150 | E146-I148 PolarHBondContact O-N 2.9Å; I148-E150 PolarHBondContact O-N 2.88Å |
| 149 | E | 43.1 | Very low | 41.4 | Very low | 187 Ų | 187 | 175.4 Ų | 175.4 | 87% | 0.874 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 123.3 | 177.1 | -62.8 | 172.8 | 156.4 | 0 | 0 | 110.4 | ||
| 150 | E | 35.6 | Very low | 41 | Very low | 190 Ų | 190 | 169.6 Ų | 169.6 | 89% | 0.888 | 85% | 0.849 | S | S | * | * | trans | -88.7 | 104.7 | 169.2 | -72 | -178.4 | 174.5 | 0 | 0 | 108.5 | I148 | I148-E150 PolarHBondContact O-N 2.88Š| ||
| 151 | E | 36.2 | Very low | 41.3 | Very low | 192 Ų | 192 | 165.7 Ų | 165.7 | 90% | 0.897 | 84% | 0.844 | S | S | * | * | trans | -72 | 122.9 | 155.5 | -74.5 | -179.8 | 155.1 | 0 | 0 | 107.8 | ||||
| 152 | E | 40 | Very low | 41.8 | Very low | 196 Ų | 196 | 159.9 Ų | 159.9 | 92% | 0.916 | 83% | 0.832 | S | S | * | * | trans | -70.1 | 124.5 | 171 | -69.8 | -158.3 | 164 | 0 | 0 | 110.6 | ||||
| 153 | E | 31.4 | Very low | 41.9 | Very low | 184 Ų | 184 | 159.1 Ų | 159.1 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | -161.6 | 128.8 | 144.4 | -139.6 | 171.9 | 176.4 | 0 | 0 | 114.3 | ||||
| 154 | S | 30.6 | Very low | 42.3 | Very low | 115 Ų | 115 | 157.5 Ų | 157.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 84 | 124.2 | 148.1 | 67.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 155 | E | 43.5 | Very low | 43.3 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | trans | -58.5 | 145.1 | 167.4 | -52.4 | 169.8 | 159 | 0 | 0 | 112.4 | ||||
| 156 | E | 41.6 | Very low | 44.1 | Very low | 198 Ų | 198 | 153.9 Ų | 153.9 | 93% | 0.925 | 80% | 0.802 | S | S | * | * | trans | -179.3 | 146 | 134.5 | -160.1 | 156.5 | -173.8 | 0 | 0 | 111.6 | ||||
| 157 | E | 48.2 | Very low | 45.9 | Very low | 198 Ų | 198 | 148.5 Ų | 148.5 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -66 | 152 | -164.4 | -58.4 | 178.8 | 142.8 | 0 | 0 | 117.1 | ||||
| 158 | G | 38.6 | Very low | 47.6 | Very low | 74 Ų | 74 | 144 Ų | 144 | 76% | 0.763 | 76% | 0.763 | S | S | * | * | trans | 157.7 | 81.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D160 | G158-D160 PolarHBondContact O-N 3.44Š| ||
| 159 | E | 39.8 | Very low | 49.3 | Very low | 201 Ų | 201 | 138.9 Ų | 138.9 | 94% | 0.939 | 75% | 0.745 | S | S | * | * | trans | -75.5 | 117 | 174.8 | -69.3 | -179.4 | 177.6 | 0 | 0 | 111.6 | ||||
| 160 | D | 44.9 | Very low | 51.2 | Low | 123 Ų | 123 | 133.8 Ų | 133.8 | 66% | 0.658 | 72% | 0.723 | S | S | * | * | trans | -84.7 | 120.7 | 177.9 | -155.1 | -12.3 | 0 | 0 | 0 | 109.9 | G158 A162 | G158-D160 PolarHBondContact O-N 3.44Å; D160-A162 PolarHBondContact O-N 3.25Å | ||
| 161 | P | 51.7 | Low | 53.4 | Low | 120 Ų | 120 | 127.3 Ų | 127.3 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | 5.7 | -169 | 25 | -35.8 | 0 | 0 | 0 | 116.2 | ||
| 162 | A | 53.6 | Low | 55.4 | Low | 72 Ų | 72 | 122 Ų | 122 | 60% | 0.595 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -13.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D160 | D160-A162 PolarHBondContact O-N 3.25Š|
| 163 | L | 46.5 | Very low | 57.3 | Low | 144 Ų | 144 | 118.9 Ų | 118.9 | 75% | 0.754 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -7.6 | -176.4 | -64.6 | 179.7 | 0 | 0 | 0 | 114.6 | S165 | L163-S165 PolarHBondContact O-N 3.37Š|
| 164 | D | 52.6 | Low | 59.5 | Low | 87 Ų | 87 | 115.7 Ų | 115.7 | 47% | 0.465 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -75.7 | -9.2 | 172.3 | -163 | 31.9 | 0 | 0 | 0 | 112.5 | Q168 | D164-Q168 WeakPolarHBondContact O-CB 3.48Å; D164-Q168 PolarHBondContact OD1-NE2 3.02Å; D164-Q168 PolarHBondContact OD2-NE2 3.18Å; D164-Q168 PolarHBondContact OD2-OE1 3.04Å |
| 165 | S | 67.9 | Low | 62 | Low | 91 Ų | 91 | 112.4 Ų | 112.4 | 64% | 0.636 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -77.3 | -31.3 | -175.5 | -171 | 0 | 0 | 0 | 0 | 113.7 | L163 A169 | L163-S165 PolarHBondContact O-N 3.37Å; S165-A169 WeakPolarHBondContact O-CB 3.43Å; S165-A169 PolarHBondContact O-N 3.19Å |
| 166 | L | 64.2 | Low | 63.9 | Low | 128 Ų | 128 | 109.9 Ų | 109.9 | 67% | 0.67 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -98.3 | -38.3 | -170.6 | -154.9 | 133.4 | 0 | 0 | 0 | 112.7 | Q168 A169 I170 | L166-Q168 VanDerWaalsContact C-N 3.34Å; L166-A169 PolarHBondContact O-N 3.37Å; L166-I170 HydrophobicContact CD2-CD1 3.7Å; L166-I170 HydrophobicContact CD2-CG1 4.48Å; L166-I170 WeakPolarHBondContact O-CB 3.44Å; L166-I170 WeakPolarHBondContact O-CD1 3.1Å; L166-I170 WeakPolarHBondContact O-CG1 3.23Å; L166-I170 PolarHBondContact O-N 3.32Å |
| 167 | S | 76.1 | Confident | 65.9 | Low | 70 Ų | 70 | 104.4 Ų | 104.4 | 49% | 0.49 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.9 | -44 | 171.4 | 54.5 | 0 | 0 | 0 | 0 | 111 | I170 A171 | S167-I170 PolarHBondContact O-N 3.39Å; S167-A171 PolarHBondContact O-N 2.85Å |
| 168 | Q | 76.7 | Confident | 67.6 | Low | 106 Ų | 106 | 100.4 Ų | 100.4 | 50% | 0.495 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -72.1 | -35 | 180 | -146.8 | 170.5 | 71.7 | 0 | 0 | 111.1 | D164 L166 A171 V172 | D164-Q168 WeakPolarHBondContact O-CB 3.48Å; D164-Q168 PolarHBondContact OD1-NE2 3.02Å; D164-Q168 PolarHBondContact OD2-NE2 3.18Å; D164-Q168 PolarHBondContact OD2-OE1 3.04Å; L166-Q168 VanDerWaalsContact C-N 3.34Å; Q168-A171 PolarHBondContact O-N 3.29Å; Q168-V172 WeakPolarHBondContact O-CB 3.27Å; Q168-V172 VanDerWaalsContact O-CG2 3.24Å; Q168-V172 WeakPolarHBondContact O-CG2 3.15Å; Q168-V172 PolarHBondContact O-N 2.98Å |
| 169 | A | 73.3 | Confident | 69.6 | Low | 52 Ų | 52 | 103.2 Ų | 103.2 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.2 | -39.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S165 L166 Q173 | S165-A169 WeakPolarHBondContact O-CB 3.43Å; S165-A169 PolarHBondContact O-N 3.19Å; L166-A169 PolarHBondContact O-N 3.37Å; A169-Q173 WeakPolarHBondContact O-CB 3.49Å; A169-Q173 PolarHBondContact O-N 3.05Å |
| 170 | I | 82.1 | Confident | 71.2 | Confident | 80 Ų | 80 | 100.3 Ų | 100.3 | 41% | 0.41 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.5 | -44.6 | 175.7 | -69.8 | 163.2 | 0 | 0 | 0 | 110.4 | L166 S167 Q173 Q174 | L166-I170 HydrophobicContact CD2-CD1 3.7Å; L166-I170 HydrophobicContact CD2-CG1 4.48Å; L166-I170 WeakPolarHBondContact O-CB 3.44Å; L166-I170 WeakPolarHBondContact O-CD1 3.1Å; L166-I170 WeakPolarHBondContact O-CG1 3.23Å; L166-I170 PolarHBondContact O-N 3.32Å; S167-I170 PolarHBondContact O-N 3.39Å; I170-Q173 PolarHBondContact O-N 2.66Å; I170-Q174 HydrophobicContact CG2-CG 4.45Å; I170-Q174 WeakPolarHBondContact O-CG 3.13Å; I170-Q174 PolarHBondContact O-N 3Å |
| 171 | A | 81.4 | Confident | 72.6 | Confident | 53 Ų | 53 | 100.5 Ų | 100.5 | 44% | 0.438 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.1 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | S167 Q168 Q173 Q174 A175 | S167-A171 PolarHBondContact O-N 2.85Å; Q168-A171 PolarHBondContact O-N 3.29Å; A171-Q173 VanDerWaalsContact C-N 3.29Å; A171-Q173 PolarHBondContact O-N 2.75Å; A171-Q174 PolarHBondContact O-N 3.46Å; A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.94Å |
| 172 | V | 78.6 | Confident | 73.5 | Confident | 81 Ų | 81 | 100.1 Ų | 100.1 | 49% | 0.491 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.6 | -36.3 | 176.5 | 170.5 | 0 | 0 | 0 | 0 | 111.6 | Q168 K176 | Q168-V172 WeakPolarHBondContact O-CB 3.27Å; Q168-V172 VanDerWaalsContact O-CG2 3.24Å; Q168-V172 WeakPolarHBondContact O-CG2 3.15Å; Q168-V172 PolarHBondContact O-N 2.98Å; V172-K176 PolarHBondContact O-N 3.15Å |
| 173 | Q | 80.8 | Confident | 74.3 | Confident | 130 Ų | 130 | 105.5 Ų | 105.5 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.5 | -37.9 | 179.5 | -164.9 | 172.6 | -4.7 | 0 | 0 | 112 | A169 I170 A171 I177 | A169-Q173 WeakPolarHBondContact O-CB 3.49Å; A169-Q173 PolarHBondContact O-N 3.05Å; I170-Q173 PolarHBondContact O-N 2.66Å; A171-Q173 VanDerWaalsContact C-N 3.29Å; A171-Q173 PolarHBondContact O-N 2.75Å; Q173-I177 HydrophobicContact CG-CD1 4.46Å; Q173-I177 WeakPolarHBondContact O-CD1 3.25Å; Q173-I177 VanDerWaalsContact O-CG1 3.29Å; Q173-I177 WeakPolarHBondContact O-CG1 3.33Å; Q173-I177 PolarHBondContact O-N 3.12Å |
| 174 | Q | 77.4 | Confident | 74.8 | Confident | 117 Ų | 117 | 108.1 Ų | 108.1 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 174.5 | -75 | 175.9 | -17 | 0 | 0 | 111.7 | I170 A171 K176 I177 E178 | I170-Q174 HydrophobicContact CG2-CG 4.45Å; I170-Q174 WeakPolarHBondContact O-CG 3.13Å; I170-Q174 PolarHBondContact O-N 3Å; A171-Q174 PolarHBondContact O-N 3.46Å; Q174-K176 VanDerWaalsContact C-N 3.34Å; Q174-K176 PolarHBondContact O-N 3.06Å; Q174-I177 PolarHBondContact O-N 3.31Å; Q174-I177 VanDerWaalsContact O-N 3.15Å; Q174-E178 PolarHBondContact O-N 3.43Å |
| 175 | A | 83.2 | Confident | 74.8 | Confident | 47 Ų | 47 | 108.8 Ų | 108.8 | 39% | 0.388 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.6 | -40 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A171 I177 E178 E179 | A171-A175 WeakPolarHBondContact O-CB 3.46Å; A171-A175 PolarHBondContact O-N 2.94Å; A175-I177 VanDerWaalsContact C-N 3.35Å; A175-I177 PolarHBondContact O-N 2.82Å; A175-E178 PolarHBondContact O-N 3.23Å; A175-E179 WeakPolarHBondContact O-CG 3.46Å; A175-E179 PolarHBondContact O-N 3Å |
| 176 | K | 82.6 | Confident | 74 | Confident | 135 Ų | 135 | 112 Ų | 112 | 59% | 0.587 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.9 | -36.8 | 175.5 | -79.2 | 179.9 | 179.5 | 175.5 | 0 | 113.2 | V172 Q174 E180 | V172-K176 PolarHBondContact O-N 3.15Å; Q174-K176 VanDerWaalsContact C-N 3.34Å; Q174-K176 PolarHBondContact O-N 3.06Å; K176-E180 PolarHBondContact O-N 2.82Å |
| 177 | I | 84.6 | Confident | 73.3 | Confident | 83 Ų | 83 | 111.4 Ų | 111.4 | 43% | 0.426 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.6 | -43.2 | 177.6 | -68.5 | 164.2 | 0 | 0 | 0 | 109.7 | Q173 Q174 A175 E179 E180 E181 | Q173-I177 HydrophobicContact CG-CD1 4.46Å; Q173-I177 WeakPolarHBondContact O-CD1 3.25Å; Q173-I177 VanDerWaalsContact O-CG1 3.29Å; Q173-I177 WeakPolarHBondContact O-CG1 3.33Å; Q173-I177 PolarHBondContact O-N 3.12Å; Q174-I177 PolarHBondContact O-N 3.31Å; Q174-I177 VanDerWaalsContact O-N 3.15Å; A175-I177 VanDerWaalsContact C-N 3.35Å; A175-I177 PolarHBondContact O-N 2.82Å; I177-E179 PolarHBondContact O-N 2.83Å; I177-E180 PolarHBondContact O-N 2.8Å; I177-E181 PolarHBondContact O-N 3.36Å |
| 178 | E | 83.4 | Confident | 71.8 | Confident | 115 Ų | 115 | 111.3 Ų | 111.3 | 54% | 0.537 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.9 | -40.3 | 177.1 | -70.7 | 178.6 | 175.8 | 0 | 0 | 112.3 | Q174 A175 E181 Q182 | Q174-E178 PolarHBondContact O-N 3.43Å; A175-E178 PolarHBondContact O-N 3.23Å; E178-E181 PolarHBondContact O-N 3.18Å; E178-Q182 WeakPolarHBondContact O-CB 3.3Å; E178-Q182 VanDerWaalsContact O-CG 3.25Å; E178-Q182 WeakPolarHBondContact O-CG 3.45Å; E178-Q182 PolarHBondContact O-N 3.2Å |
| 179 | E | 81 | Confident | 70.2 | Confident | 132 Ų | 132 | 109 Ų | 109 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.2 | -38.4 | 173.7 | -75.8 | -175.6 | 167.7 | 0 | 0 | 112.7 | A175 I177 R183 | A175-E179 WeakPolarHBondContact O-CG 3.46Å; A175-E179 PolarHBondContact O-N 3Å; I177-E179 PolarHBondContact O-N 2.83Å; E179-R183 WeakPolarHBondContact O-CB 3.37Å; E179-R183 PolarHBondContact O-N 3.43Å |
| 180 | E | 73.7 | Confident | 68.6 | Low | 141 Ų | 141 | 115.2 Ų | 115.2 | 66% | 0.659 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -68 | -40 | 174.7 | -85.5 | -169.8 | 149.9 | 0 | 0 | 112.3 | K176 I177 R183 W184 | K176-E180 PolarHBondContact O-N 2.82Å; I177-E180 PolarHBondContact O-N 2.8Å; E180-R183 PolarHBondContact O-N 3.31Å; E180-W184 WeakPolarHBondContact O-CB 3.15Å; E180-W184 PolarHBondContact O-N 2.94Å |
| 181 | E | 72.8 | Confident | 66.2 | Low | 126 Ų | 126 | 117.4 Ų | 117.4 | 59% | 0.589 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.2 | -40.1 | 174.6 | -76 | -171.9 | 162.6 | 0 | 0 | 111.7 | I177 E178 R183 W184 T185 | I177-E181 PolarHBondContact O-N 3.36Å; E178-E181 PolarHBondContact O-N 3.18Å; E181-R183 VanDerWaalsContact C-N 3.35Å; E181-W184 PolarHBondContact O-N 3.2Å; E181-T185 WeakPolarHBondContact O-CB 3.32Å; E181-T185 VanDerWaalsContact O-CG2 3.28Å; E181-T185 WeakPolarHBondContact O-CG2 3.36Å; E181-T185 PolarHBondContact O-N 2.82Å; E181-T185 PolarHBondContact O-OG1 3.36Å |
| 182 | Q | 71.8 | Confident | 64 | Low | 113 Ų | 113 | 120 Ų | 120 | 53% | 0.528 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.1 | -38.5 | 174 | -72.4 | 177.3 | 28.9 | 0 | 0 | 111.9 | E178 T185 Q186 | E178-Q182 WeakPolarHBondContact O-CB 3.3Å; E178-Q182 VanDerWaalsContact O-CG 3.25Å; E178-Q182 WeakPolarHBondContact O-CG 3.45Å; E178-Q182 PolarHBondContact O-N 3.2Å; Q182-T185 WeakPolarHBondContact CA-OG1 3.4Å; Q182-T185 PolarHBondContact O-OG1 3.06Å; Q182-Q186 WeakPolarHBondContact O-CB 3.4Å; Q182-Q186 VanDerWaalsContact O-CG 3.32Å; Q182-Q186 WeakPolarHBondContact O-CG 3.49Å; Q182-Q186 PolarHBondContact O-N 3.25Å; Q182-Q186 VanDerWaalsContact O-N 3.11Å |
| 183 | R | 69.9 | Low | 61.9 | Low | 185 Ų | 185 | 124.1 Ų | 124.1 | 70% | 0.698 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -67.8 | -37.8 | 174.1 | -172.2 | -173.8 | -67.9 | -111.9 | 1.2 | 112.1 | E179 E180 E181 T187 | E179-R183 WeakPolarHBondContact O-CB 3.37Å; E179-R183 PolarHBondContact O-N 3.43Å; E180-R183 PolarHBondContact O-N 3.31Å; E181-R183 VanDerWaalsContact C-N 3.35Å; R183-T187 WeakPolarHBondContact O-CG2 3.07Å; R183-T187 PolarHBondContact O-N 3.45Å; R183-T187 PolarHBondContact O-OG1 3.35Å |
| 184 | W | 56 | Low | 59.7 | Low | 199 Ų | 199 | 123.3 Ų | 123.3 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.1 | -42.2 | 177.1 | -169.4 | -68.5 | 0 | 0 | 0 | 111.5 | E180 E181 T187 A188 | E180-W184 WeakPolarHBondContact O-CB 3.15Å; E180-W184 PolarHBondContact O-N 2.94Å; E181-W184 PolarHBondContact O-N 3.2Å; W184-T187 PolarHBondContact O-N 3.41Å; W184-T187 PolarHBondContact O-OG1 2.09Å; W184-T187 VanDerWaalsContact O-OG1 3.11Å; W184-A188 WeakPolarHBondContact O-CB 3.06Å; W184-A188 PolarHBondContact O-N 3.23Å |
| 185 | T | 53.5 | Low | 57.9 | Low | 100 Ų | 100 | 125 Ų | 125 | 61% | 0.613 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -69.5 | -32.1 | 179.2 | 50.5 | 0 | 0 | 0 | 0 | 113 | E181 Q182 | E181-T185 WeakPolarHBondContact O-CB 3.32Å; E181-T185 VanDerWaalsContact O-CG2 3.28Å; E181-T185 WeakPolarHBondContact O-CG2 3.36Å; E181-T185 PolarHBondContact O-N 2.82Å; E181-T185 PolarHBondContact O-OG1 3.36Å; Q182-T185 WeakPolarHBondContact CA-OG1 3.4Å; Q182-T185 PolarHBondContact O-OG1 3.06Å |
| 186 | Q | 51.3 | Low | 55.7 | Low | 159 Ų | 159 | 129 Ų | 129 | 74% | 0.743 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.7 | -27.5 | 174.5 | -73.7 | 177 | 31.4 | 0 | 0 | 113.7 | Q182 | Q182-Q186 WeakPolarHBondContact O-CB 3.4Å; Q182-Q186 VanDerWaalsContact O-CG 3.32Å; Q182-Q186 WeakPolarHBondContact O-CG 3.49Å; Q182-Q186 PolarHBondContact O-N 3.25Å; Q182-Q186 VanDerWaalsContact O-N 3.11Å |
| 187 | T | 48.5 | Very low | 54 | Low | 115 Ų | 115 | 126.8 Ų | 126.8 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -88.3 | -14.6 | 179.4 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | R183 W184 | R183-T187 WeakPolarHBondContact O-CG2 3.07Å; R183-T187 PolarHBondContact O-N 3.45Å; R183-T187 PolarHBondContact O-OG1 3.35Å; W184-T187 PolarHBondContact O-N 3.41Å; W184-T187 PolarHBondContact O-OG1 2.09Å; W184-T187 VanDerWaalsContact O-OG1 3.11Å |
| 188 | A | 44.9 | Very low | 52.3 | Low | 68 Ų | 68 | 133.4 Ų | 133.4 | 56% | 0.562 | 71% | 0.707 | S | S | * | * | trans | -93 | 13.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | W184 E190 | W184-A188 WeakPolarHBondContact O-CB 3.06Å; W184-A188 PolarHBondContact O-N 3.23Å; A188-E190 VanDerWaalsContact C-N 3.27Å; A188-E190 PolarHBondContact O-N 3.03Å; A188-E190 VanDerWaalsContact O-N 3.1Å | ||
| 189 | G | 43.7 | Very low | 51 | Low | 58 Ų | 58 | 138.7 Ų | 138.7 | 60% | 0.598 | 72% | 0.722 | S | S | * | * | trans | -81.7 | 62.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 190 | E | 39.8 | Very low | 49.7 | Very low | 183 Ų | 183 | 137.9 Ų | 137.9 | 86% | 0.855 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 171.8 | 138.9 | 147.4 | -99.8 | 170.5 | 95.2 | 0 | 0 | 110.4 | A188 | A188-E190 VanDerWaalsContact C-N 3.27Å; A188-E190 PolarHBondContact O-N 3.03Å; A188-E190 VanDerWaalsContact O-N 3.1Å |
| 191 | S | 31.4 | Very low | 49 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | trans | 92.2 | 123.5 | 177 | 78.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 192 | S | 35.3 | Very low | 48.6 | Very low | 109 Ų | 109 | 144.8 Ų | 144.8 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -87.9 | 154.3 | -171.3 | -46.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 193 | I | 34.7 | Very low | 48.2 | Very low | 167 Ų | 167 | 148.9 Ų | 148.9 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | 67.2 | 125.8 | 157.5 | -78.8 | 165 | 0 | 0 | 0 | 114 | ||||
| 194 | S | 33.9 | Very low | 47.6 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | cis | -163.6 | 159.3 | 38.2 | 49.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 195 | D | 41.1 | Very low | 47.6 | Very low | 152 Ų | 152 | 145.2 Ų | 145.2 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -54.9 | 164.9 | 174.8 | -139.7 | -68.3 | 0 | 0 | 0 | 117 | ||||
| 196 | D | 36.9 | Very low | 47.6 | Very low | 131 Ų | 131 | 145.9 Ų | 145.9 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | 88.3 | 114.9 | 153.7 | -144.8 | -79.3 | 0 | 0 | 0 | 120.9 | ||||
| 197 | S | 45.7 | Very low | 47.8 | Very low | 90 Ų | 90 | 147.8 Ų | 147.8 | 63% | 0.629 | 79% | 0.793 | S | S | * | * | 145.2 | 99.1 | 123 | -82.1 | 0 | 0 | 0 | 0 | 113.9 | R199 | S197-R199 PolarHBondContact O-N 2.98Å; S197-R199 VanDerWaalsContact O-N 3.08Å | |||
| 198 | K | 49.2 | Very low | 47.5 | Very low | 221 Ų | 221 | 151.8 Ų | 151.8 | 96% | 0.961 | 80% | 0.801 | S | S | * | * | trans | -63.2 | 102.2 | 155.2 | -81.8 | 172.1 | 177.7 | 170.3 | 0 | 109.2 | ||||
| 199 | R | 55.5 | Low | 47.8 | Very low | 227 Ų | 227 | 154.5 Ų | 154.5 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -77.1 | 132.4 | 169.9 | -73 | -176.4 | 178.5 | -155.1 | 0.7 | 111 | S197 | S197-R199 PolarHBondContact O-N 2.98Å; S197-R199 VanDerWaalsContact O-N 3.08Å | ||
| 200 | P | 55.2 | Low | 47.9 | Very low | 115 Ų | 115 | 159.5 Ų | 159.5 | 75% | 0.747 | 83% | 0.829 | S | S | * | * | trans | -72.4 | 133.4 | 175.4 | 27.6 | -32 | 0 | 0 | 0 | 111.8 | I202 | P200-I202 PolarHBondContact O-N 2.97Š| ||
| 201 | R | 58.4 | Low | 48.6 | Very low | 254 Ų | 254 | 159.8 Ų | 159.8 | 96% | 0.958 | 83% | 0.83 | S | S | * | * | trans | -68.6 | 110 | 173 | -89.1 | 169 | 103.4 | 148 | -0.3 | 110.4 | ||||
| 202 | I | 64.9 | Low | 49.6 | Very low | 157 Ų | 157 | 161.9 Ų | 161.9 | 81% | 0.805 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -74 | 120.9 | 168.6 | -62.8 | 166.6 | 0 | 0 | 0 | 108.1 | P200 | P200-I202 PolarHBondContact O-N 2.97Š|
| 203 | K | 61.6 | Low | 50.6 | Low | 200 Ų | 200 | 165.9 Ų | 165.9 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 122.2 | 167.2 | -78.4 | -178.9 | 175.8 | -177.7 | 0 | 108.4 | S205 | K203-S205 PolarHBondContact O-N 2.99Š|
| 204 | K | 57.7 | Low | 51.4 | Low | 204 Ų | 204 | 165.4 Ų | 165.4 | 89% | 0.887 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 130.4 | 170.8 | -73.2 | 177 | 175.1 | 179.6 | 0 | 109.2 | ||
| 205 | S | 56.9 | Low | 52.2 | Low | 103 Ų | 103 | 165.4 Ų | 165.4 | 72% | 0.72 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 125.5 | 170.1 | 46.4 | 0 | 0 | 0 | 0 | 109.6 | K203 Y207 | K203-S205 PolarHBondContact O-N 2.99Å; S205-Y207 PolarHBondContact O-N 2.66Å |
| 206 | A | 53.5 | Low | 52.8 | Low | 113 Ų | 113 | 169.8 Ų | 169.8 | 93% | 0.934 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -77.5 | 39.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 207 | Y | 55.3 | Low | 53.6 | Low | 199 Ų | 199 | 171.7 Ų | 171.7 | 78% | 0.78 | 86% | 0.863 | S | S | * | * | trans | -129.8 | 50 | -173.2 | -168.1 | -102 | 0 | 0 | 0 | 110.7 | S205 | S205-Y207 PolarHBondContact O-N 2.66Š| ||
| 208 | F | 41.3 | Very low | 54 | Low | 199 Ų | 199 | 176 Ų | 176 | 87% | 0.873 | 88% | 0.875 | S | S | * | * | trans | -170.2 | 73.9 | 161.9 | -116.6 | -81.6 | 0 | 0 | 0 | 107.8 | ||||
| 209 | S | 52.7 | Low | 54.2 | Low | 125 Ų | 125 | 173.5 Ų | 173.5 | 87% | 0.874 | 87% | 0.87 | S | S | * | * | trans | -141.2 | 80.2 | 161.5 | -81.9 | 0 | 0 | 0 | 0 | 106 | ||||
| 210 | D | 45.8 | Very low | 54.2 | Low | 163 Ų | 163 | 170.4 Ų | 170.4 | 87% | 0.872 | 87% | 0.871 | S | S | * | * | trans | -130.9 | 99.9 | 149.5 | -113.1 | -28.2 | 0 | 0 | 0 | 104.3 | ||||
| 211 | E | 54.8 | Low | 54.1 | Low | 189 Ų | 189 | 173.8 Ų | 173.8 | 88% | 0.883 | 88% | 0.879 | S | S | * | * | trans | -64.7 | 153.2 | 165.1 | -81.6 | 179.3 | 93.4 | 0 | 0 | 109.3 | ||||
| 212 | E | 51.8 | Low | 53.8 | Low | 169 Ų | 169 | 168.5 Ų | 168.5 | 79% | 0.79 | 87% | 0.873 | S | S | * | * | trans | -59.8 | 140.4 | 172.8 | -59.1 | 175.8 | 139 | 0 | 0 | 111.9 | ||||
| 213 | E | 55 | Low | 53 | Low | 193 Ų | 193 | 169.3 Ų | 169.3 | 90% | 0.902 | 88% | 0.878 | S | S | * | * | trans | -128.6 | 88.7 | 143.9 | -98.4 | -174.6 | 164.7 | 0 | 0 | 108.2 | ||||
| 214 | L | 52.1 | Low | 52.4 | Low | 157 Ų | 157 | 166.9 Ų | 166.9 | 82% | 0.822 | 88% | 0.879 | S | S | * | * | trans | -67.5 | 118.9 | 152.7 | -99.7 | 131.1 | 0 | 0 | 0 | 107.2 | ||||
| 215 | S | 51.3 | Low | 51.9 | Low | 112 Ų | 112 | 163.8 Ų | 163.8 | 78% | 0.783 | 88% | 0.878 | S | S | * | * | trans | -114.4 | 133 | 162 | 33.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 216 | D | 52.6 | Low | 51.5 | Low | 244 Ų | 244 | 169.4 Ų | 169.4 | 100% | 1.305 | 89% | 0.893 | S | S | * | * | trans | -51.9 | 0 | 175.9 | -86.7 | -63.3 | 0 | 0 | 0 | 114 |
Retrieved 216 of 216 residues in 31.2 ms
(Link to these results)