| 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 | 38.1 | Very low | 57.3 | Low | 224 Ų | 224 | 120.1 Ų | 120.1 | 100% | 1.103 | 63% | 0.625 | S | S | * | * | 0 | -8.2 | 0 | -68.8 | -157.8 | -58.6 | 0 | 0 | 114.5 | |||||
| 2 | L | 39 | Very low | 58.2 | Low | 140 Ų | 140 | 116.2 Ų | 116.2 | 73% | 0.733 | 62% | 0.623 | S | S | * | * | trans | -85.2 | -12.7 | 173.1 | -80.4 | 159.8 | 0 | 0 | 0 | 113.9 | ||||
| 3 | E | 38.3 | Very low | 59.1 | Low | 186 Ų | 186 | 111.2 Ų | 111.2 | 87% | 0.869 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -16.3 | -172.8 | -70.5 | 179.1 | 150.9 | 0 | 0 | 114.7 | ||
| 4 | E | 44.1 | Very low | 59.3 | Low | 190 Ų | 190 | 112.1 Ų | 112.1 | 89% | 0.888 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -12.6 | -177.2 | -89.1 | -177.3 | 145.5 | 0 | 0 | 114.9 | ||
| 5 | V | 52.9 | Low | 59.9 | Low | 98 Ų | 98 | 115.5 Ų | 115.5 | 59% | 0.594 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -21.7 | -170.8 | -172.8 | 0 | 0 | 0 | 0 | 112.9 | Q97 | V5-Q97 PolarHBondContact O-NE2 3.47Š|
| 6 | V | 60.8 | Low | 60.4 | Low | 38 Ų | 38 | 111.7 Ų | 111.7 | 23% | 0.23 | 62% | 0.624 | C | S | . | * | S | Bend | trans | -99.2 | 112.4 | -177.9 | -173.6 | 0 | 0 | 0 | 0 | 109.6 | V8 A22 F24 | V6-V8 PolarHBondContact O-N 3.4Å; V6-A22 HydrophobicContact CG1-CB 3.6Å; V6-F24 HydrophobicContact CG1-CE1 4.19Å; V6-F24 HydrophobicContact CG1-CZ 3.98Å; V6-F24 HydrophobicContact CG2-CE1 3.92Å; V6-F24 HydrophobicContact CG2-CZ 4.08Å |
| 7 | K | 67 | Low | 60.9 | Low | 143 Ų | 143 | 112.8 Ų | 112.8 | 62% | 0.622 | 62% | 0.623 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -68.4 | 116.5 | 168.5 | -74.6 | -175 | -179.2 | 176.7 | 0 | 108.2 | V23 | K7-V23 HydrophobicContact CB-CB 4.34Å; K7-V23 WeakPolarHBondContact O-CB 3.24Å; K7-V23 PolarHBondContact O-N 3.11Å |
| 8 | V | 68.4 | Low | 61.4 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 61% | 0.612 | 62% | 0.624 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.8 | 117.9 | 174.2 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | V6 P20 V21 | V6-V8 PolarHBondContact O-N 3.4Å; V8-P20 HydrophobicContact CG1-CB 3.41Å; V8-P20 VanDerWaalsContact CG1-CB 3.41Å; V8-V21 WeakPolarHBondContact CA-O 3.45Å |
| 9 | A | 74.6 | Confident | 62.1 | Low | 32 Ų | 32 | 108.3 Ų | 108.3 | 26% | 0.264 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.4 | 167.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | P20 V21 V23 | A9-P20 CarbonylContact O-C 3.52Å; A9-P20 WeakPolarHBondContact O-CA 3.31Å; A9-V21 PolarHBondContact N-O 3.37Å; A9-V21 PolarHBondContact O-N 2.65Å; A9-V23 HydrophobicContact CB-CG2 3.76Å |
| 10 | T | 76.4 | Confident | 62.9 | Low | 103 Ų | 103 | 107.2 Ų | 107.2 | 63% | 0.632 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -111.1 | 140.5 | 172.6 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | C18 V19 | T10-C18 HydrophobicContact CG2-CB 4.44Å; T10-V19 WeakPolarHBondContact CA-O 3.37Å |
| 11 | M | 70.2 | Confident | 64 | Low | 66 Ų | 66 | 102.1 Ų | 102.1 | 33% | 0.325 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -129.6 | 144.1 | 168.5 | -72 | -165.4 | -166.5 | 0 | 0 | 110.3 | C18 V19 V21 M64 K73 | M11-C18 CarbonylContact O-C 3.52Å; M11-C18 WeakPolarHBondContact O-CA 3.35Å; M11-V19 PolarHBondContact N-O 3.38Å; M11-V19 WeakPolarHBondContact O-CG2 3.48Å; M11-V19 PolarHBondContact O-N 3.49Å; M11-V21 HydrophobicContact CB-CG2 3.88Å; M11-V21 HydrophobicContact CE-CG1 4.45Å; M11-V21 HydrophobicContact CE-CG2 4.39Å; M11-V21 HydrophobicContact CG-CG2 3.67Å; M11-V21 HydrophobicContact SD-CG2 4.14Å; M11-M64 HydrophobicContact CE-CE 3.58Å; M11-M64 HydrophobicContact CE-CG 4.32Å; M11-M64 HydrophobicContact CE-SD 3.38Å; M11-M64 WeakPolarHBondContact CE-SD 3.47Å; M11-M64 HydrophobicContact SD-CE 3.53Å; M11-M64 VanDerWaalsContact SD-CE 3.53Å; M11-M64 HydrophobicContact SD-SD 4.15Å; M11-K73 HydrophobicContact CE-CD 4.1Å |
| 12 | A | 69.1 | Low | 66.5 | Low | 73 Ų | 73 | 92.4 Ų | 92.4 | 60% | 0.603 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76 | 128 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q17 | A12-Q17 CarbonylContact C-O 3.56Å; A12-Q17 VanDerWaalsContact CA-O 3.3Å; A12-Q17 WeakPolarHBondContact CA-O 3.27Å |
| 13 | D | 70 | Confident | 69.1 | Low | 52 Ų | 52 | 86.2 Ų | 86.2 | 28% | 0.278 | 50% | 0.498 | S | S | . | . | trans | -76.5 | -178 | 170.5 | 74.9 | 0.1 | 0 | 0 | 0 | 111.7 | M15 G16 Q17 V19 | D13-M15 PolarHBondContact O-N 3.05Å; D13-M15 VanDerWaalsContact O-N 3.07Å; D13-M15 VanDerWaalsContact OD1-C 3.3Å; D13-M15 WeakPolarHBondContact OD1-CA 3.37Å; D13-M15 PolarHBondContact OD1-N 3.18Å; D13-G16 PolarHBondContact O-N 2.81Å; D13-G16 PolarHBondContact OD1-N 2.71Å; D13-Q17 PolarHBondContact N-O 2.69Å; D13-Q17 PolarHBondContact OD1-N 3.1Å; D13-V19 HydrophobicContact CB-CG2 4.45Å | ||
| 14 | S | 60.7 | Low | 71.9 | Confident | 124 Ų | 124 | 77.5 Ų | 77.5 | 87% | 0.867 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -13 | 179.3 | 55.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 15 | M | 69.3 | Low | 74.4 | Confident | 162 Ų | 162 | 69.6 Ų | 69.6 | 80% | 0.798 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | 5 | 176.4 | -54.8 | -169.6 | -143.7 | 0 | 0 | 112.4 | D13 | D13-M15 PolarHBondContact O-N 3.05Å; D13-M15 VanDerWaalsContact O-N 3.07Å; D13-M15 VanDerWaalsContact OD1-C 3.3Å; D13-M15 WeakPolarHBondContact OD1-CA 3.37Å; D13-M15 PolarHBondContact OD1-N 3.18Å |
| 16 | G | 66.8 | Low | 76.6 | Confident | 55 Ų | 55 | 65 Ų | 65 | 57% | 0.567 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 80.4 | 9.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D13 | D13-G16 PolarHBondContact O-N 2.81Å; D13-G16 PolarHBondContact OD1-N 2.71Å |
| 17 | Q | 69.1 | Low | 78.3 | Confident | 130 Ų | 130 | 63.2 Ų | 63.2 | 61% | 0.607 | 38% | 0.381 | S | S | * | . | trans | -80.7 | 132.7 | 175.4 | -76.1 | -173 | -12.2 | 0 | 0 | 111.4 | A12 D13 V19 | A12-Q17 CarbonylContact C-O 3.56Å; A12-Q17 VanDerWaalsContact CA-O 3.3Å; A12-Q17 WeakPolarHBondContact CA-O 3.27Å; D13-Q17 PolarHBondContact N-O 2.69Å; D13-Q17 PolarHBondContact OD1-N 3.1Å; Q17-V19 PolarHBondContact O-N 3.12Å | ||
| 18 | C | 70.4 | Confident | 79.7 | Confident | 94 Ų | 94 | 56.4 Ų | 56.4 | 64% | 0.635 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 105.4 | 173.3 | -77.5 | 0 | 0 | 0 | 0 | 110.6 | T10 M11 | T10-C18 HydrophobicContact CG2-CB 4.44Å; M11-C18 CarbonylContact O-C 3.52Å; M11-C18 WeakPolarHBondContact O-CA 3.35Å |
| 19 | V | 73.8 | Confident | 81 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 28% | 0.279 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 137.7 | 173.3 | -76.5 | 0 | 0 | 0 | 0 | 111.3 | T10 M11 D13 Q17 | T10-V19 WeakPolarHBondContact CA-O 3.37Å; M11-V19 PolarHBondContact N-O 3.38Å; M11-V19 WeakPolarHBondContact O-CG2 3.48Å; M11-V19 PolarHBondContact O-N 3.49Å; D13-V19 HydrophobicContact CB-CG2 4.45Å; Q17-V19 PolarHBondContact O-N 3.12Å |
| 20 | P | 78.5 | Confident | 82 | Confident | 87 Ų | 87 | 50.1 Ų | 50.1 | 57% | 0.565 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 138 | 173.5 | 27.4 | -32.2 | 0 | 0 | 0 | 110.7 | V8 A9 | V8-P20 HydrophobicContact CG1-CB 3.41Å; V8-P20 VanDerWaalsContact CG1-CB 3.41Å; A9-P20 CarbonylContact O-C 3.52Å; A9-P20 WeakPolarHBondContact O-CA 3.31Å |
| 21 | V | 86.1 | Confident | 82.9 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 120.5 | 179.1 | -174.3 | 0 | 0 | 0 | 0 | 108.3 | V8 A9 M11 V23 M64 P71 K73 | V8-V21 WeakPolarHBondContact CA-O 3.45Å; A9-V21 PolarHBondContact N-O 3.37Å; A9-V21 PolarHBondContact O-N 2.65Å; M11-V21 HydrophobicContact CB-CG2 3.88Å; M11-V21 HydrophobicContact CE-CG1 4.45Å; M11-V21 HydrophobicContact CE-CG2 4.39Å; M11-V21 HydrophobicContact CG-CG2 3.67Å; M11-V21 HydrophobicContact SD-CG2 4.14Å; V21-V23 PolarHBondContact O-N 2.91Å; V21-M64 HydrophobicContact CG1-CE 3.98Å; V21-M64 HydrophobicContact CG1-SD 4.21Å; V21-P71 HydrophobicContact CB-CG 4.47Å; V21-P71 HydrophobicContact CG1-CB 4.31Å; V21-P71 HydrophobicContact CG1-CG 4.4Å; V21-P71 HydrophobicContact CG2-CB 4.45Å; V21-P71 HydrophobicContact CG2-CG 3.86Å; V21-K73 HydrophobicContact CG1-CB 4Å |
| 22 | A | 90.6 | Very high | 83.9 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 16% | 0.157 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 123.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | V6 F24 I72 K73 I182 | V6-A22 HydrophobicContact CG1-CB 3.6Å; A22-F24 HydrophobicContact CB-CE2 3.8Å; A22-F24 HydrophobicContact CB-CZ 4.12Å; A22-I72 HydrophobicContact CB-CG1 4.45Å; A22-K73 PolarHBondContact O-N 3.3Å; A22-I182 HydrophobicContact CB-CD1 4.44Å |
| 23 | V | 94.8 | Very high | 85 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.4 | -178.1 | -171.3 | 0 | 0 | 0 | 0 | 110.7 | K7 A9 V21 K73 N75 | K7-V23 HydrophobicContact CB-CB 4.34Å; K7-V23 WeakPolarHBondContact O-CB 3.24Å; K7-V23 PolarHBondContact O-N 3.11Å; A9-V23 HydrophobicContact CB-CG2 3.76Å; V21-V23 PolarHBondContact O-N 2.91Å; V23-K73 CarbonylContact C-O 3.56Å; V23-K73 WeakPolarHBondContact CA-O 3.42Å; V23-K73 HydrophobicContact CG1-CB 4.36Å; V23-K73 VanDerWaalsContact CG1-CE 3.47Å; V23-K73 HydrophobicContact CG2-CB 4.2Å; V23-N75 WeakPolarHBondContact CG1-ND2 3.28Å |
| 24 | F | 96.8 | Very high | 86.2 | Confident | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.009 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.7 | 178.8 | -58.3 | -76.4 | 0 | 0 | 0 | 111.4 | V6 A22 L26 I72 K73 Y74 N75 Q97 L181 I182 | V6-F24 HydrophobicContact CG1-CE1 4.19Å; V6-F24 HydrophobicContact CG1-CZ 3.98Å; V6-F24 HydrophobicContact CG2-CE1 3.92Å; V6-F24 HydrophobicContact CG2-CZ 4.08Å; A22-F24 HydrophobicContact CB-CE2 3.8Å; A22-F24 HydrophobicContact CB-CZ 4.12Å; F24-L26 PolarHBondContact O-N 3.36Å; F24-I72 HydrophobicContact CD2-CG2 3.68Å; F24-I72 HydrophobicContact CE2-CG2 3.74Å; F24-K73 PolarHBondContact N-O 3.22Å; F24-Y74 HydrophobicContact CB-CD1 3.83Å; F24-Y74 HydrophobicContact CB-CE1 3.99Å; F24-Y74 HydrophobicContact CD2-CE1 4.22Å; F24-Y74 HydrophobicContact CG-CE1 4.4Å; F24-Y74 CarbonylContact O-C 3.58Å; F24-Y74 WeakPolarHBondContact O-CA 3.44Å; F24-N75 PolarHBondContact O-N 3.46Å; F24-Q97 VanDerWaalsContact CA-OE1 3.29Å; F24-Q97 HydrophobicContact CD1-CB 4.27Å; F24-L181 HydrophobicContact CB-CD1 4.15Å; F24-L181 HydrophobicContact CD1-CB 4.29Å; F24-L181 HydrophobicContact CD1-CD1 3.81Å; F24-L181 HydrophobicContact CD1-CD2 4.03Å; F24-L181 HydrophobicContact CD1-CG 4.27Å; F24-L181 HydrophobicContact CD2-CD1 4.06Å; F24-L181 HydrophobicContact CE1-CB 3.82Å; F24-L181 HydrophobicContact CE1-CD1 4.19Å; F24-L181 HydrophobicContact CE1-CD2 4.16Å; F24-L181 HydrophobicContact CE1-CG 4.29Å; F24-L181 HydrophobicContact CE2-CB 4.36Å; F24-L181 HydrophobicContact CE2-CD1 4.42Å; F24-L181 HydrophobicContact CG-CD1 3.73Å; F24-L181 HydrophobicContact CZ-CB 3.87Å; F24-L181 HydrophobicContact CZ-CD1 4.49Å; F24-I182 HydrophobicContact CE2-CD1 4.08Å; F24-I182 HydrophobicContact CZ-CD1 3.82Å |
| 25 | K | 96.8 | Very high | 87.9 | Confident | 25 Ų | 25 | 34.5 Ų | 34.5 | 11% | 0.109 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 116.3 | 165.1 | 178.8 | 171.3 | 171.5 | 175.7 | 0 | 108.8 | W77 Y92 I94 Q97 C98 | K25-W77 HydrophobicContact CD-CZ2 4.34Å; K25-Y92 WeakPolarHBondContact CE-O 3.3Å; K25-Y92 PolarHBondContact NZ-O 2.93Å; K25-I94 PolarHBondContact NZ-O 3.02Å; K25-Q97 PolarHBondContact O-N 2.83Å; K25-C98 PolarHBondContact O-N 2.9Å |
| 26 | L | 97.9 | Very high | 89.1 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 123.5 | 173.7 | -173.6 | 154.7 | 0 | 0 | 0 | 108.7 | F24 L28 Y74 N75 V76 W77 C98 I100 F174 L177 | F24-L26 PolarHBondContact O-N 3.36Å; L26-L28 HydrophobicContact CD2-CB 4.22Å; L26-Y74 HydrophobicContact CB-CD1 4.06Å; L26-Y74 HydrophobicContact CD1-CD1 3.89Å; L26-Y74 HydrophobicContact CD1-CE1 4.33Å; L26-Y74 HydrophobicContact CD1-CG 4.24Å; L26-N75 PolarHBondContact N-O 3.04Å; L26-V76 HydrophobicContact CB-CG2 4.34Å; L26-V76 HydrophobicContact CD2-CB 4.49Å; L26-V76 HydrophobicContact CD2-CG1 3.88Å; L26-V76 HydrophobicContact CD2-CG2 4.22Å; L26-V76 CarbonylContact O-C 3.6Å; L26-V76 WeakPolarHBondContact O-CA 3.47Å; L26-W77 PolarHBondContact O-N 3.01Å; L26-C98 WeakPolarHBondContact CA-O 3.5Å; L26-I100 HydrophobicContact CD1-CD1 4.04Å; L26-I100 HydrophobicContact CD1-CG1 4.28Å; L26-I100 HydrophobicContact CD2-CB 4.5Å; L26-I100 HydrophobicContact CD2-CD1 4.19Å; L26-I100 HydrophobicContact CD2-CG1 4.2Å; L26-F174 HydrophobicContact CD1-CD1 4.08Å; L26-F174 HydrophobicContact CD1-CE1 3.84Å; L26-L177 HydrophobicContact CD1-CD1 3.59Å; L26-L177 HydrophobicContact CG-CD1 4.46Å |
| 27 | V | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.5 | 172.1 | -65.7 | 0 | 0 | 0 | 0 | 110.5 | W77 Y93 A96 C98 A99 I100 L121 | V27-W77 HydrophobicContact CG1-CB 4.17Å; V27-Y93 HydrophobicContact CB-CD1 4.44Å; V27-Y93 HydrophobicContact CG1-CD1 4.4Å; V27-Y93 HydrophobicContact CG2-CD1 4.42Å; V27-A96 HydrophobicContact CB-CB 4.41Å; V27-A96 HydrophobicContact CG1-CB 3.72Å; V27-A96 HydrophobicContact CG2-CB 3.81Å; V27-C98 PolarHBondContact N-O 2.88Å; V27-C98 VanDerWaalsContact N-O 3.08Å; V27-A99 HydrophobicContact CG2-CB 3.54Å; V27-A99 VanDerWaalsContact O-CA 3.24Å; V27-A99 WeakPolarHBondContact O-CA 3.38Å; V27-A99 WeakPolarHBondContact O-CB 3.44Å; V27-I100 PolarHBondContact O-N 2.84Å; V27-L121 HydrophobicContact CG2-CD1 3.48Å; V27-L121 VanDerWaalsContact CG2-CD1 3.48Å |
| 28 | L | 97 | Very high | 91.5 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 112.6 | 179.6 | 176.2 | 60.8 | 0 | 0 | 0 | 109.3 | L26 K36 F39 V40 V76 W77 T79 I100 M102 | L26-L28 HydrophobicContact CD2-CB 4.22Å; L28-K36 HydrophobicContact CD1-CB 4.46Å; L28-K36 HydrophobicContact CD1-CD 4.4Å; L28-K36 HydrophobicContact CD1-CG 4.14Å; L28-K36 HydrophobicContact CD2-CB 3.65Å; L28-K36 HydrophobicContact CD2-CG 4.23Å; L28-K36 HydrophobicContact CG-CB 3.86Å; L28-K36 HydrophobicContact CG-CD 4.01Å; L28-K36 HydrophobicContact CG-CG 3.92Å; L28-F39 HydrophobicContact CD2-CD1 4.43Å; L28-V40 HydrophobicContact CD2-CG2 3.32Å; L28-V76 HydrophobicContact CB-CG1 4.04Å; L28-V76 HydrophobicContact CD2-CG1 4.35Å; L28-W77 PolarHBondContact N-O 3.39Å; L28-T79 PolarHBondContact O-N 2.89Å; L28-T79 PolarHBondContact O-OG1 3.4Å; L28-I100 HydrophobicContact CD1-CB 3.72Å; L28-I100 HydrophobicContact CD1-CG2 3.62Å; L28-M102 HydrophobicContact CD1-CB 4.44Å; L28-M102 HydrophobicContact CD1-CE 4.2Å |
| 29 | V | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 165.8 | -171.9 | -58.8 | 0 | 0 | 0 | 0 | 112 | K36 T79 Y93 I100 I101 M102 W117 | V29-K36 VanDerWaalsContact C-CD 3.46Å; V29-T79 HydrophobicContact CG1-CG2 4.43Å; V29-Y93 HydrophobicContact CG1-CE1 3.54Å; V29-I100 PolarHBondContact N-O 2.84Å; V29-I101 HydrophobicContact CG2-CB 4.24Å; V29-I101 HydrophobicContact CG2-CG1 3.73Å; V29-I101 HydrophobicContact CG2-CG2 4.33Å; V29-M102 PolarHBondContact O-N 3.01Å; V29-W117 HydrophobicContact CB-CD2 4.47Å; V29-W117 HydrophobicContact CB-CE3 3.88Å; V29-W117 HydrophobicContact CB-CZ3 4.26Å; V29-W117 HydrophobicContact CG2-CB 4.35Å; V29-W117 HydrophobicContact CG2-CE3 4.46Å |
| 30 | G | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | trans | 135.6 | 168.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | K36 G81 M102 W117 | G30-K36 WeakPolarHBondContact O-CE 3.5Å; G30-K36 PolarHBondContact O-NZ 3.03Å; G30-G81 WeakPolarHBondContact O-CA 3.41Å; G30-M102 WeakPolarHBondContact CA-O 3.48Å; G30-W117 VanDerWaalsContact C-CE2 3.46Å; G30-W117 VanDerWaalsContact C-CZ2 3.44Å; G30-W117 WeakPolarHBondContact O-CZ2 3.22Å | ||
| 31 | D | 94.4 | Very high | 94 | Very high | 21 Ų | 21 | 13.3 Ų | 13.3 | 11% | 0.112 | 9% | 0.088 | C | C | . | . | trans | -57.2 | 159.6 | -174.8 | -77.1 | 15.4 | 0 | 0 | 0 | 113.8 | T34 K36 G81 T110 N113 W117 | D31-T34 HydrophobicContact CB-CG2 3.84Å; D31-T34 WeakPolarHBondContact O-CG2 3.39Å; D31-T34 PolarHBondContact O-OG1 3.07Å; D31-K36 PolarHBondContact O-NZ 2.78Å; D31-G81 CarbonylContact C-O 3.49Å; D31-T110 HydrophobicContact CB-CG2 3.84Å; D31-T110 WeakPolarHBondContact OD2-CA 3.36Å; D31-N113 WeakPolarHBondContact OD1-CB 3.34Å; D31-N113 PolarHBondContact OD2-ND2 3.37Å; D31-W117 PolarHBondContact OD1-NE1 3.23Å | ||
| 32 | G | 92.3 | Very high | 94.1 | Very high | 29 Ų | 29 | 13.3 Ų | 13.3 | 30% | 0.299 | 9% | 0.088 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 140.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | T34 G81 | G32-T34 VanDerWaalsContact C-N 3.27Å; G32-T34 PolarHBondContact O-N 3.48Å; G32-G81 PolarHBondContact N-O 2.8Å |
| 33 | G | 92.1 | Very high | 93.8 | Very high | 28 Ų | 28 | 13.4 Ų | 13.4 | 29% | 0.289 | 9% | 0.085 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 1.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G35 K136 | G33-G35 PolarHBondContact O-N 3.18Å; G33-K136 WeakPolarHBondContact O-CE 3.18Å; G33-K136 PolarHBondContact O-NZ 3.25Å |
| 34 | T | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | S | Bend | trans | -68.6 | -18.6 | 176.6 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | D31 G32 D104 T110 N135 | D31-T34 HydrophobicContact CB-CG2 3.84Å; D31-T34 WeakPolarHBondContact O-CG2 3.39Å; D31-T34 PolarHBondContact O-OG1 3.07Å; G32-T34 VanDerWaalsContact C-N 3.27Å; G32-T34 PolarHBondContact O-N 3.48Å; T34-D104 HydrophobicContact CG2-CB 4.3Å; T34-T110 HydrophobicContact CG2-CG2 3.87Å; T34-N135 PolarHBondContact O-ND2 2.92Å |
| 35 | G | 94.9 | Very high | 92.5 | Very high | 12 Ų | 12 | 20.4 Ų | 20.4 | 12% | 0.124 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 105.4 | 17 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G33 T38 F39 | G33-G35 PolarHBondContact O-N 3.18Å; G35-T38 PolarHBondContact O-N 3.26Å; G35-F39 WeakPolarHBondContact O-CB 3.45Å; G35-F39 PolarHBondContact O-N 3.22Å |
| 36 | K | 95.2 | Very high | 91.4 | Very high | 9 Ų | 9 | 19.4 Ų | 19.4 | 4% | 0.039 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -51.9 | -57 | 178.3 | -62.4 | -175.2 | -53 | -72.8 | 0 | 113.2 | L28 V29 G30 D31 T38 F39 V40 D78 T79 M102 | L28-K36 HydrophobicContact CD1-CB 4.46Å; L28-K36 HydrophobicContact CD1-CD 4.4Å; L28-K36 HydrophobicContact CD1-CG 4.14Å; L28-K36 HydrophobicContact CD2-CB 3.65Å; L28-K36 HydrophobicContact CD2-CG 4.23Å; L28-K36 HydrophobicContact CG-CB 3.86Å; L28-K36 HydrophobicContact CG-CD 4.01Å; L28-K36 HydrophobicContact CG-CG 3.92Å; V29-K36 VanDerWaalsContact C-CD 3.46Å; G30-K36 WeakPolarHBondContact O-CE 3.5Å; G30-K36 PolarHBondContact O-NZ 3.03Å; D31-K36 PolarHBondContact O-NZ 2.78Å; K36-T38 VanDerWaalsContact C-N 3.34Å; K36-T38 PolarHBondContact O-N 3.31Å; K36-F39 WeakPolarHBondContact O-CB 3.32Å; K36-F39 PolarHBondContact O-N 3.02Å; K36-F39 VanDerWaalsContact O-N 3.11Å; K36-V40 WeakPolarHBondContact O-CG2 3.47Å; K36-V40 PolarHBondContact O-N 2.97Å; K36-D78 VanDerWaalsContact CB-OD1 3.31Å; K36-D78 WeakPolarHBondContact CB-OD1 3.33Å; K36-T79 WeakPolarHBondContact CE-O 3.33Å; K36-M102 HydrophobicContact CG-CB 4.08Å; K36-M102 HydrophobicContact CG-SD 4.06Å |
| 37 | T | 93.2 | Very high | 90.2 | Very high | 27 Ų | 27 | 25.9 Ų | 25.9 | 17% | 0.166 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 179 | -46.7 | 0 | 0 | 0 | 0 | 112.3 | F39 V40 K41 T55 D78 | T37-F39 VanDerWaalsContact C-N 3.34Å; T37-F39 PolarHBondContact O-N 3.1Å; T37-V40 PolarHBondContact O-N 2.98Å; T37-K41 HydrophobicContact CG2-CD 4.15Å; T37-K41 HydrophobicContact CG2-CG 4.24Å; T37-K41 WeakPolarHBondContact O-CB 3.08Å; T37-K41 WeakPolarHBondContact O-CG 3.26Å; T37-K41 PolarHBondContact O-N 2.9Å; T37-T55 PolarHBondContact OG1-OG1 3.21Å; T37-D78 VanDerWaalsContact CA-OD2 3.22Å; T37-D78 WeakPolarHBondContact CA-OD2 3.35Å; T37-D78 VanDerWaalsContact CB-OD2 3.22Å; T37-D78 WeakPolarHBondContact CB-OD2 3.44Å; T37-D78 WeakPolarHBondContact CG2-OD2 3.38Å; T37-D78 PolarHBondContact OG1-OD2 2.66Å |
| 38 | T | 93.1 | Very high | 89.2 | Confident | 27 Ų | 27 | 28.3 Ų | 28.3 | 17% | 0.166 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.7 | -41.4 | 175.6 | -50.6 | 0 | 0 | 0 | 0 | 111.6 | G35 K36 V40 R42 F48 A164 | G35-T38 PolarHBondContact O-N 3.26Å; K36-T38 VanDerWaalsContact C-N 3.34Å; K36-T38 PolarHBondContact O-N 3.31Å; T38-V40 VanDerWaalsContact C-N 3.35Å; T38-R42 WeakPolarHBondContact O-CB 3.37Å; T38-R42 PolarHBondContact O-N 3.14Å; T38-F48 HydrophobicContact CG2-CD2 3.49Å; T38-F48 VanDerWaalsContact CG2-CD2 3.49Å; T38-F48 HydrophobicContact CG2-CE2 3.44Å; T38-F48 VanDerWaalsContact CG2-CE2 3.44Å; T38-F48 HydrophobicContact CG2-CG 4.4Å; T38-F48 HydrophobicContact CG2-CZ 4.29Å; T38-A164 HydrophobicContact CG2-CB 4.29Å |
| 39 | F | 93.8 | Very high | 88.2 | Confident | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.4 | 177.6 | -99.4 | 0 | 0 | 0 | 111.9 | L28 G35 K36 T37 H43 I100 M102 I162 A164 F170 P173 F174 | L28-F39 HydrophobicContact CD2-CD1 4.43Å; G35-F39 WeakPolarHBondContact O-CB 3.45Å; G35-F39 PolarHBondContact O-N 3.22Å; K36-F39 WeakPolarHBondContact O-CB 3.32Å; K36-F39 PolarHBondContact O-N 3.02Å; K36-F39 VanDerWaalsContact O-N 3.11Å; T37-F39 VanDerWaalsContact C-N 3.34Å; T37-F39 PolarHBondContact O-N 3.1Å; F39-H43 AromaticContact CE2-CE1 3.83Å; F39-H43 AromaticContact CZ-CE1 3.72Å; F39-H43 PolarHBondContact O-ND1 3.03Å; F39-I100 HydrophobicContact CE1-CD1 4.14Å; F39-M102 HydrophobicContact CB-CE 3.79Å; F39-M102 HydrophobicContact CD1-CE 3.92Å; F39-M102 HydrophobicContact CD2-CE 4.19Å; F39-M102 HydrophobicContact CG-CE 3.72Å; F39-I162 HydrophobicContact CD2-CD1 3.75Å; F39-I162 HydrophobicContact CE2-CD1 3.69Å; F39-I162 HydrophobicContact CZ-CD1 4.46Å; F39-A164 HydrophobicContact CB-CB 4.28Å; F39-F170 AromaticContact CD2-CD2 3.59Å; F39-F170 HydrophobicContact CD2-CD2 3.59Å; F39-F170 AromaticContact CD2-CE2 3.28Å; F39-F170 HydrophobicContact CD2-CE2 3.28Å; F39-F170 HydrophobicContact CD2-CZ 4.22Å; F39-F170 AromaticContact CE2-CD2 3.54Å; F39-F170 HydrophobicContact CE2-CD2 3.54Å; F39-F170 AromaticContact CE2-CE2 3.67Å; F39-F170 HydrophobicContact CE2-CE2 3.67Å; F39-F170 HydrophobicContact CE2-CG 4.3Å; F39-F170 HydrophobicContact CG-CE2 4.08Å; F39-F170 WeakPolarHBondContact O-CZ 3.37Å; F39-P173 HydrophobicContact CZ-CG 4.41Å; F39-F174 AromaticContact CE1-CE2 3.43Å; F39-F174 HydrophobicContact CE1-CE2 3.43Å; F39-F174 VanDerWaalsContact CE1-CE2 3.43Å; F39-F174 AromaticContact CE1-CZ 3.64Å; F39-F174 HydrophobicContact CE1-CZ 3.64Å; F39-F174 HydrophobicContact CZ-CD2 4.24Å; F39-F174 AromaticContact CZ-CE2 3.41Å; F39-F174 HydrophobicContact CZ-CE2 3.41Å; F39-F174 VanDerWaalsContact CZ-CE2 3.41Å; F39-F174 HydrophobicContact CZ-CZ 4.12Å |
| 40 | V | 92.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.4 | -54.2 | 177.4 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | L28 K36 T37 T38 R42 H43 I44 H61 V76 D78 | L28-V40 HydrophobicContact CD2-CG2 3.32Å; K36-V40 WeakPolarHBondContact O-CG2 3.47Å; K36-V40 PolarHBondContact O-N 2.97Å; T37-V40 PolarHBondContact O-N 2.98Å; T38-V40 VanDerWaalsContact C-N 3.35Å; V40-R42 PolarHBondContact O-N 2.99Å; V40-R42 VanDerWaalsContact O-N 3.16Å; V40-H43 WeakPolarHBondContact O-CB 3.43Å; V40-H43 PolarHBondContact O-N 3.49Å; V40-I44 HydrophobicContact CG1-CD1 4.11Å; V40-I44 PolarHBondContact O-N 3.18Å; V40-H61 HydrophobicContact CG1-CB 3.44Å; V40-H61 VanDerWaalsContact CG1-CB 3.44Å; V40-H61 VanDerWaalsContact CG1-CG 3.5Å; V40-V76 HydrophobicContact CG1-CG1 4.48Å; V40-V76 HydrophobicContact CG2-CG1 3.67Å; V40-D78 HydrophobicContact CG2-CB 4.43Å |
| 41 | K | 89 | Confident | 86.6 | Confident | 65 Ų | 65 | 46.8 Ų | 46.8 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -54.8 | -38.5 | -179.1 | -77.3 | -172.1 | 173.7 | -169.4 | 0 | 112.1 | T37 H43 I44 T45 E49 | T37-K41 HydrophobicContact CG2-CD 4.15Å; T37-K41 HydrophobicContact CG2-CG 4.24Å; T37-K41 WeakPolarHBondContact O-CB 3.08Å; T37-K41 WeakPolarHBondContact O-CG 3.26Å; T37-K41 PolarHBondContact O-N 2.9Å; K41-H43 VanDerWaalsContact C-N 3.28Å; K41-H43 PolarHBondContact O-N 3.26Å; K41-I44 WeakPolarHBondContact O-CA 3.3Å; K41-I44 WeakPolarHBondContact O-CB 3.1Å; K41-I44 PolarHBondContact O-N 2.94Å; K41-T45 PolarHBondContact O-N 3.16Å; K41-T45 PolarHBondContact O-OG1 3.29Å; K41-E49 IonicContact NZ-OE2 2.9Å; K41-E49 PolarHBondContact NZ-OE2 3.41Å |
| 42 | R | 87.3 | Confident | 86 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.3 | -22.6 | 179.7 | -176.5 | 145.1 | 167.6 | 178.5 | -7.6 | 113.8 | T38 V40 I44 G46 F48 A164 K165 N167 F170 L195 P198 | T38-R42 WeakPolarHBondContact O-CB 3.37Å; T38-R42 PolarHBondContact O-N 3.14Å; V40-R42 PolarHBondContact O-N 2.99Å; V40-R42 VanDerWaalsContact O-N 3.16Å; R42-I44 VanDerWaalsContact C-N 3.35Å; R42-G46 WeakPolarHBondContact O-CA 3.39Å; R42-G46 PolarHBondContact O-N 3.48Å; R42-F48 VanDerWaalsContact NH1-CD2 3.33Å; R42-A164 WeakPolarHBondContact CD-O 3.21Å; R42-A164 PolarHBondContact NE-O 3.09Å; R42-A164 VanDerWaalsContact NE-O 3.1Å; R42-A164 PolarHBondContact NH1-O 3.18Å; R42-K165 VanDerWaalsContact NH1-C 3.28Å; R42-K165 PolarHBondContact NH1-O 3.12Å; R42-K165 VanDerWaalsContact NH2-C 3.29Å; R42-K165 PolarHBondContact NH2-O 2.89Å; R42-N167 PolarHBondContact NE-OD1 3.06Å; R42-N167 PolarHBondContact NH2-ND2 3.33Å; R42-N167 PolarHBondContact NH2-OD1 3.3Å; R42-F170 HydrophobicContact CB-CE1 4.4Å; R42-F170 HydrophobicContact CB-CE2 4.43Å; R42-F170 HydrophobicContact CB-CZ 3.66Å; R42-F170 HydrophobicContact CG-CE1 4.11Å; R42-F170 HydrophobicContact CG-CE2 4.43Å; R42-F170 HydrophobicContact CG-CZ 3.7Å; R42-L195 VanDerWaalsContact O-CD2 3.22Å; R42-L195 WeakPolarHBondContact O-CD2 3.24Å; R42-P198 VanDerWaalsContact NH2-CA 3.34Å |
| 43 | H | 85.8 | Confident | 85.4 | Confident | 20 Ų | 20 | 55.5 Ų | 55.5 | 9% | 0.093 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -75.2 | -22.9 | 166.4 | -75.8 | 88.6 | 0 | 0 | 0 | 113.2 | F39 V40 K41 L63 F65 F170 F174 | F39-H43 AromaticContact CE2-CE1 3.83Å; F39-H43 AromaticContact CZ-CE1 3.72Å; F39-H43 PolarHBondContact O-ND1 3.03Å; V40-H43 WeakPolarHBondContact O-CB 3.43Å; V40-H43 PolarHBondContact O-N 3.49Å; K41-H43 VanDerWaalsContact C-N 3.28Å; K41-H43 PolarHBondContact O-N 3.26Å; H43-L63 HydrophobicContact CB-CD1 3.72Å; H43-L63 HydrophobicContact CB-CD2 3.78Å; H43-L63 HydrophobicContact CB-CG 4.37Å; H43-F65 AromaticContact CD2-CZ 3.8Å; H43-F170 HydrophobicContact CB-CE1 4.37Å; H43-F170 AromaticContact CD2-CD1 3.9Å; H43-F170 AromaticContact CD2-CE1 3.57Å; H43-F170 AromaticContact CE1-CD1 3.18Å; H43-F170 WeakPolarHBondContact CE1-CD1 3.36Å; H43-F170 AromaticContact CE1-CD2 3.87Å; H43-F170 AromaticContact CE1-CE1 2.91Å; H43-F170 WeakPolarHBondContact CE1-CE1 3.48Å; H43-F170 AromaticContact CE1-CE2 3.62Å; H43-F170 AromaticContact CE1-CG 3.65Å; H43-F170 AromaticContact CE1-CZ 3.12Å; H43-F170 WeakPolarHBondContact CE1-CZ 3.44Å; H43-F170 AromaticContact CG-CE1 3.43Å; H43-F170 VanDerWaalsContact CG-CE1 3.43Å; H43-F170 AromaticContact CG-CZ 3.84Å; H43-F170 AromaticContact ND1-CD1 3.82Å; H43-F170 AromaticContact ND1-CE1 3.04Å; H43-F170 WeakPolarHBondContact ND1-CE1 3.48Å; H43-F170 AromaticContact ND1-CE2 3.86Å; H43-F170 AromaticContact ND1-CZ 3.04Å; H43-F170 WeakPolarHBondContact ND1-CZ 3.5Å; H43-F170 AromaticContact NE2-CD1 3.24Å; H43-F170 WeakPolarHBondContact NE2-CD1 3.25Å; H43-F170 AromaticContact NE2-CE1 3.28Å; H43-F170 VanDerWaalsContact NE2-CE1 3.28Å; H43-F170 WeakPolarHBondContact NE2-CE1 3.46Å; H43-F170 AromaticContact NE2-CG 3.95Å; H43-F170 AromaticContact NE2-CZ 3.97Å; H43-F174 AromaticContact CE1-CE2 3.31Å; H43-F174 WeakPolarHBondContact CE1-CE2 3.34Å; H43-F174 AromaticContact ND1-CE2 3.93Å; H43-F174 AromaticContact NE2-CD2 3.7Å; H43-F174 AromaticContact NE2-CE2 3.38Å; H43-F174 WeakPolarHBondContact NE2-CE2 3.13Å |
| 44 | I | 84 | Confident | 85 | Confident | 79 Ų | 79 | 55.5 Ų | 55.5 | 41% | 0.405 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -88.8 | -57.8 | -177.2 | -57 | 170.8 | 0 | 0 | 0 | 110.8 | V40 K41 R42 H61 L63 | V40-I44 HydrophobicContact CG1-CD1 4.11Å; V40-I44 PolarHBondContact O-N 3.18Å; K41-I44 WeakPolarHBondContact O-CA 3.3Å; K41-I44 WeakPolarHBondContact O-CB 3.1Å; K41-I44 PolarHBondContact O-N 2.94Å; R42-I44 VanDerWaalsContact C-N 3.35Å; I44-H61 HydrophobicContact CD1-CB 3.76Å; I44-H61 WeakPolarHBondContact CD1-ND1 3.12Å; I44-L63 HydrophobicContact CD1-CD2 4.28Å; I44-L63 HydrophobicContact CG1-CD2 3.43Å; I44-L63 VanDerWaalsContact CG1-CD2 3.43Å |
| 45 | T | 78.6 | Confident | 84.3 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 50% | 0.503 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -11.3 | -171.1 | 63.7 | 0 | 0 | 0 | 0 | 112.4 | K41 E47 | K41-T45 PolarHBondContact O-N 3.16Å; K41-T45 PolarHBondContact O-OG1 3.29Å; T45-E47 PolarHBondContact O-N 3.29Å; T45-E47 VanDerWaalsContact O-N 3.11Å; T45-E47 WeakPolarHBondContact OG1-CB 3.38Å; T45-E47 PolarHBondContact OG1-N 2.9Å |
| 46 | G | 73.6 | Confident | 83.8 | Confident | 3 Ų | 3 | 61.8 Ų | 61.8 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | S | Bend | trans | 73.9 | -17 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | R42 A196 | R42-G46 WeakPolarHBondContact O-CA 3.39Å; R42-G46 PolarHBondContact O-N 3.48Å; G46-A196 WeakPolarHBondContact O-CB 3.37Å |
| 47 | E | 73.9 | Confident | 83.2 | Confident | 138 Ų | 138 | 62 Ų | 62 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | trans | -77.8 | 148.9 | -172.5 | -61.4 | -177 | 165 | 0 | 0 | 112.7 | T45 | T45-E47 PolarHBondContact O-N 3.29Å; T45-E47 VanDerWaalsContact O-N 3.11Å; T45-E47 WeakPolarHBondContact OG1-CB 3.38Å; T45-E47 PolarHBondContact OG1-N 2.9Å | ||
| 48 | F | 74.8 | Confident | 82.9 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 22% | 0.219 | 31% | 0.313 | C | S | . | . | trans | -97.4 | 116.2 | 172 | -175.9 | -97.2 | 0 | 0 | 0 | 110.8 | T38 R42 K50 K165 E199 | T38-F48 HydrophobicContact CG2-CD2 3.49Å; T38-F48 VanDerWaalsContact CG2-CD2 3.49Å; T38-F48 HydrophobicContact CG2-CE2 3.44Å; T38-F48 VanDerWaalsContact CG2-CE2 3.44Å; T38-F48 HydrophobicContact CG2-CG 4.4Å; T38-F48 HydrophobicContact CG2-CZ 4.29Å; R42-F48 VanDerWaalsContact NH1-CD2 3.33Å; F48-K50 HydrophobicContact CD1-CG 3.79Å; F48-K50 HydrophobicContact CE1-CG 3.96Å; F48-K50 PolarHBondContact O-N 2.93Å; F48-K165 HydrophobicContact CD2-CB 4.35Å; F48-K165 HydrophobicContact CD2-CG 4.27Å; F48-K165 HydrophobicContact CE1-CG 4.37Å; F48-K165 HydrophobicContact CE2-CB 3.75Å; F48-K165 HydrophobicContact CE2-CG 3.82Å; F48-K165 HydrophobicContact CZ-CB 4.17Å; F48-K165 HydrophobicContact CZ-CD 4.23Å; F48-K165 HydrophobicContact CZ-CG 3.88Å; F48-E199 HydrophobicContact CB-CG 3.77Å; F48-E199 HydrophobicContact CD1-CG 4.17Å; F48-E199 WeakPolarHBondContact CD1-OE1 3.44Å; F48-E199 WeakPolarHBondContact CD1-OE2 3.32Å; F48-E199 HydrophobicContact CG-CG 4.12Å | ||
| 49 | E | 76.4 | Confident | 82.8 | Confident | 79 Ų | 79 | 65.2 Ų | 65.2 | 37% | 0.369 | 32% | 0.324 | S | S | . | . | trans | -77.1 | 106.8 | 174 | -174.7 | 77.4 | -116 | 0 | 0 | 110.1 | K41 K51 | K41-E49 IonicContact NZ-OE2 2.9Å; K41-E49 PolarHBondContact NZ-OE2 3.41Å; E49-K51 WeakPolarHBondContact CG-O 3.34Å | ||
| 50 | K | 76 | Confident | 82.8 | Confident | 162 Ų | 162 | 68.6 Ų | 68.6 | 70% | 0.704 | 34% | 0.344 | S | S | * | . | trans | -74.7 | -29.1 | 177 | -66 | -177.7 | -175.6 | 176.6 | 0 | 113.1 | F48 E199 | F48-K50 HydrophobicContact CD1-CG 3.79Å; F48-K50 HydrophobicContact CE1-CG 3.96Å; F48-K50 PolarHBondContact O-N 2.93Å; K50-E199 VanDerWaalsContact CE-CD 3.41Å; K50-E199 WeakPolarHBondContact CE-OE1 3.35Å; K50-E199 VanDerWaalsContact CE-OE2 3.24Å; K50-E199 WeakPolarHBondContact CE-OE2 3.4Å; K50-E199 IonicContact NZ-OE1 3.51Å | ||
| 51 | K | 82.1 | Confident | 82.8 | Confident | 149 Ų | 149 | 70 Ų | 70 | 65% | 0.648 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -87.3 | 120.6 | -176 | -171.3 | 177.9 | 179.9 | -178.7 | 0 | 109.6 | E49 V53 | E49-K51 WeakPolarHBondContact CG-O 3.34Å; K51-V53 HydrophobicContact CD-CG2 4.25Å; K51-V53 HydrophobicContact CG-CG2 4.18Å; K51-V53 PolarHBondContact O-N 3.01Å; K51-V53 VanDerWaalsContact O-N 3.16Å |
| 52 | Y | 80.6 | Confident | 83 | Confident | 138 Ų | 138 | 70.9 Ų | 70.9 | 54% | 0.541 | 36% | 0.363 | S | S | . | . | trans | -71.7 | 112.6 | 169 | 178.5 | -113.5 | 0 | 0 | 0 | 109.8 | A54 | Y52-A54 HydrophobicContact CE1-CB 4.29Š| ||
| 53 | V | 81.5 | Confident | 83.3 | Confident | 95 Ų | 95 | 71 Ų | 71 | 58% | 0.576 | 36% | 0.364 | S | S | * | . | trans | -115.8 | 123.1 | 165.1 | -177.4 | 0 | 0 | 0 | 0 | 106.3 | K51 T55 | K51-V53 HydrophobicContact CD-CG2 4.25Å; K51-V53 HydrophobicContact CG-CG2 4.18Å; K51-V53 PolarHBondContact O-N 3.01Å; K51-V53 VanDerWaalsContact O-N 3.16Å; V53-T55 PolarHBondContact O-N 2.68Å | ||
| 54 | A | 83.6 | Confident | 83.6 | Confident | 28 Ų | 28 | 73 Ų | 73 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | trans | -69.4 | 129.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y52 L56 | Y52-A54 HydrophobicContact CE1-CB 4.29Å; A54-L56 PolarHBondContact O-N 2.89Å | ||
| 55 | T | 80.4 | Confident | 83.9 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | trans | -60.9 | 131.8 | 171.6 | -39.3 | 0 | 0 | 0 | 0 | 109.9 | T37 V53 E59 A80 | T37-T55 PolarHBondContact OG1-OG1 3.21Å; V53-T55 PolarHBondContact O-N 2.68Å; T55-E59 HydrophobicContact CG2-CG 4.17Å; T55-A80 WeakPolarHBondContact O-CB 3.36Å | ||
| 56 | L | 83.6 | Confident | 84.6 | Confident | 130 Ų | 130 | 70.2 Ų | 70.2 | 68% | 0.681 | 35% | 0.353 | S | S | * | . | trans | -98.4 | 109.2 | 174.5 | -62.1 | 178.3 | 0 | 0 | 0 | 108.6 | A54 V58 F85 | A54-L56 PolarHBondContact O-N 2.89Å; L56-V58 PolarHBondContact O-N 3.29Å; L56-F85 HydrophobicContact CD2-CE1 4.35Å; L56-F85 HydrophobicContact CD2-CE2 4.18Å; L56-F85 HydrophobicContact CD2-CZ 3.7Å | ||
| 57 | G | 82.8 | Confident | 85.5 | Confident | 15 Ų | 15 | 70.4 Ų | 70.4 | 16% | 0.155 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 72.4 | -106 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A80 | G57-A80 WeakPolarHBondContact O-CB 3.43Å; G57-A80 PolarHBondContact O-N 2.96Å |
| 58 | V | 88.1 | Confident | 86.4 | Confident | 39 Ų | 39 | 66.5 Ų | 66.5 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 141.2 | -178.3 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | L56 W77 D78 T79 Y92 | L56-V58 PolarHBondContact O-N 3.29Å; V58-W77 HydrophobicContact CG1-CE3 4.43Å; V58-W77 HydrophobicContact CG2-CB 3.91Å; V58-W77 HydrophobicContact CG2-CD2 4.37Å; V58-W77 HydrophobicContact CG2-CE3 3.89Å; V58-W77 HydrophobicContact CG2-CG 4.45Å; V58-D78 WeakPolarHBondContact CA-O 3.35Å; V58-D78 WeakPolarHBondContact CG2-O 3.48Å; V58-T79 HydrophobicContact CG2-CG2 4.24Å; V58-Y92 HydrophobicContact CB-CD1 4.09Å; V58-Y92 HydrophobicContact CB-CD2 4.39Å; V58-Y92 HydrophobicContact CB-CE1 3.98Å; V58-Y92 HydrophobicContact CB-CE2 4.29Å; V58-Y92 HydrophobicContact CB-CG 4.3Å; V58-Y92 HydrophobicContact CG1-CD1 3.68Å; V58-Y92 HydrophobicContact CG1-CE1 3.38Å; V58-Y92 HydrophobicContact CG1-CG 4.39Å |
| 59 | E | 90.7 | Very high | 87.2 | Confident | 82 Ų | 82 | 70.8 Ų | 70.8 | 38% | 0.383 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 137.6 | 165.8 | -66 | -178 | -174.5 | 0 | 0 | 109.7 | T55 H61 D78 | T55-E59 HydrophobicContact CG2-CG 4.17Å; E59-H61 VanDerWaalsContact CB-NE2 3.32Å; E59-H61 WeakPolarHBondContact CB-NE2 3.33Å; E59-H61 IonicContact OE2-CE1 3.43Å; E59-H61 IonicContact OE2-NE2 3.25Å; E59-H61 PolarHBondContact OE2-NE2 2.84Å; E59-D78 PolarHBondContact N-O 3.1Å; E59-D78 PolarHBondContact O-N 3.34Å |
| 60 | V | 93.1 | Very high | 87.9 | Confident | 72 Ų | 72 | 68.5 Ų | 68.5 | 44% | 0.436 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 121.9 | -179.4 | -175.7 | 0 | 0 | 0 | 0 | 110 | N75 V76 W77 | V60-N75 HydrophobicContact CG1-CB 4.27Å; V60-V76 CarbonylContact C-O 3.56Å; V60-V76 WeakPolarHBondContact CA-O 3.45Å; V60-W77 HydrophobicContact CG2-CD2 3.82Å; V60-W77 HydrophobicContact CG2-CE3 4.33Å; V60-W77 HydrophobicContact CG2-CG 4.04Å; V60-W77 HydrophobicContact CG2-CZ2 4.24Å |
| 61 | H | 93.5 | Very high | 88.7 | Confident | 30 Ų | 30 | 62.1 Ų | 62.1 | 14% | 0.139 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113.4 | -173.6 | -67.7 | -75.7 | 0 | 0 | 0 | 110.5 | V40 I44 E59 L63 V76 | V40-H61 HydrophobicContact CG1-CB 3.44Å; V40-H61 VanDerWaalsContact CG1-CB 3.44Å; V40-H61 VanDerWaalsContact CG1-CG 3.5Å; I44-H61 HydrophobicContact CD1-CB 3.76Å; I44-H61 WeakPolarHBondContact CD1-ND1 3.12Å; E59-H61 VanDerWaalsContact CB-NE2 3.32Å; E59-H61 WeakPolarHBondContact CB-NE2 3.33Å; E59-H61 IonicContact OE2-CE1 3.43Å; E59-H61 IonicContact OE2-NE2 3.25Å; E59-H61 PolarHBondContact OE2-NE2 2.84Å; H61-L63 PolarHBondContact O-N 3.36Å; H61-V76 PolarHBondContact N-O 3.15Å; H61-V76 PolarHBondContact O-N 3.16Å |
| 62 | P | 92.8 | Very high | 89.2 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 53% | 0.532 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 117.8 | 175.2 | 29.7 | -31.6 | 0 | 0 | 0 | 110.5 | K73 | P62-K73 HydrophobicContact CB-CD 4.13Å; P62-K73 HydrophobicContact CB-CG 4.49Å |
| 63 | L | 92.9 | Very high | 89.9 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.5 | 174.4 | -58 | -172.8 | 0 | 0 | 0 | 110.3 | H43 I44 H61 F65 K73 Y74 V76 F174 | H43-L63 HydrophobicContact CB-CD1 3.72Å; H43-L63 HydrophobicContact CB-CD2 3.78Å; H43-L63 HydrophobicContact CB-CG 4.37Å; I44-L63 HydrophobicContact CD1-CD2 4.28Å; I44-L63 HydrophobicContact CG1-CD2 3.43Å; I44-L63 VanDerWaalsContact CG1-CD2 3.43Å; H61-L63 PolarHBondContact O-N 3.36Å; L63-F65 HydrophobicContact CB-CE2 3.76Å; L63-F65 HydrophobicContact CB-CZ 4.47Å; L63-K73 CarbonylContact O-C 3.46Å; L63-K73 WeakPolarHBondContact O-CA 3.47Å; L63-Y74 PolarHBondContact N-O 3.29Å; L63-Y74 PolarHBondContact O-N 3.27Å; L63-V76 HydrophobicContact CD1-CG2 3.68Å; L63-V76 HydrophobicContact CG-CG2 3.92Å; L63-F174 HydrophobicContact CD1-CE1 3.95Å; L63-F174 HydrophobicContact CD1-CZ 3.73Å |
| 64 | M | 91.7 | Very high | 90.6 | Very high | 60 Ų | 60 | 46.1 Ų | 46.1 | 30% | 0.296 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 130.5 | 179.5 | -72.4 | -67.8 | -66.7 | 0 | 0 | 110.7 | M11 V21 P71 K73 | M11-M64 HydrophobicContact CE-CE 3.58Å; M11-M64 HydrophobicContact CE-CG 4.32Å; M11-M64 HydrophobicContact CE-SD 3.38Å; M11-M64 WeakPolarHBondContact CE-SD 3.47Å; M11-M64 HydrophobicContact SD-CE 3.53Å; M11-M64 VanDerWaalsContact SD-CE 3.53Å; M11-M64 HydrophobicContact SD-SD 4.15Å; V21-M64 HydrophobicContact CG1-CE 3.98Å; V21-M64 HydrophobicContact CG1-SD 4.21Å; M64-P71 HydrophobicContact CE-CB 3.81Å; M64-K73 HydrophobicContact CG-CG 4.45Å; M64-K73 HydrophobicContact SD-CB 3.48Å; M64-K73 WeakPolarHBondContact SD-CB 3.37Å; M64-K73 HydrophobicContact SD-CD 3.76Å; M64-K73 HydrophobicContact SD-CG 3.6Å |
| 65 | F | 92.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 135.4 | 174.4 | -64.5 | -92.9 | 0 | 0 | 0 | 109.4 | H43 L63 P71 I72 Y74 F174 F189 P193 | H43-F65 AromaticContact CD2-CZ 3.8Å; L63-F65 HydrophobicContact CB-CE2 3.76Å; L63-F65 HydrophobicContact CB-CZ 4.47Å; F65-P71 WeakPolarHBondContact O-CA 3.3Å; F65-I72 PolarHBondContact N-O 3.36Å; F65-I72 PolarHBondContact O-N 2.92Å; F65-Y74 AromaticContact CD2-CD2 3.67Å; F65-Y74 HydrophobicContact CD2-CD2 3.67Å; F65-Y74 HydrophobicContact CD2-CE2 4.01Å; F65-Y74 AromaticContact CE2-CD2 3.69Å; F65-Y74 HydrophobicContact CE2-CD2 3.69Å; F65-Y74 HydrophobicContact CE2-CE2 4.23Å; F65-F174 HydrophobicContact CE1-CB 4.08Å; F65-F174 HydrophobicContact CE1-CD2 4.28Å; F65-F174 HydrophobicContact CE1-CG 4.14Å; F65-F174 HydrophobicContact CE2-CB 4.16Å; F65-F174 AromaticContact CE2-CD1 3.67Å; F65-F174 HydrophobicContact CE2-CD1 3.67Å; F65-F174 HydrophobicContact CE2-CD2 4.46Å; F65-F174 HydrophobicContact CE2-CE1 4.12Å; F65-F174 AromaticContact CE2-CG 3.85Å; F65-F174 HydrophobicContact CE2-CG 3.85Å; F65-F174 HydrophobicContact CZ-CB 3.81Å; F65-F174 AromaticContact CZ-CD1 3.72Å; F65-F174 HydrophobicContact CZ-CD1 3.72Å; F65-F174 AromaticContact CZ-CD2 3.68Å; F65-F174 HydrophobicContact CZ-CD2 3.68Å; F65-F174 HydrophobicContact CZ-CE1 4.16Å; F65-F174 HydrophobicContact CZ-CE2 4.13Å; F65-F174 AromaticContact CZ-CG 3.45Å; F65-F174 HydrophobicContact CZ-CG 3.45Å; F65-F174 VanDerWaalsContact CZ-CG 3.45Å; F65-F174 HydrophobicContact CZ-CZ 4.34Å; F65-F189 HydrophobicContact CB-CD1 4.21Å; F65-F189 HydrophobicContact CB-CE1 3.75Å; F65-F189 HydrophobicContact CB-CZ 4.03Å; F65-F189 HydrophobicContact CD1-CD2 4.12Å; F65-F189 HydrophobicContact CD1-CE1 4.1Å; F65-F189 AromaticContact CD1-CE2 3.56Å; F65-F189 HydrophobicContact CD1-CE2 3.56Å; F65-F189 AromaticContact CD1-CZ 3.54Å; F65-F189 HydrophobicContact CD1-CZ 3.54Å; F65-F189 AromaticContact CE1-CE2 3.98Å; F65-F189 HydrophobicContact CE1-CE2 3.98Å; F65-F189 HydrophobicContact CE1-CZ 4.19Å; F65-F189 HydrophobicContact CG-CE1 4.13Å; F65-F189 HydrophobicContact CG-CE2 4.35Å; F65-F189 AromaticContact CG-CZ 3.87Å; F65-F189 HydrophobicContact CG-CZ 3.87Å; F65-P193 HydrophobicContact CD1-CG 4.21Å; F65-P193 HydrophobicContact CE1-CG 4.06Å |
| 66 | H | 91.8 | Very high | 92 | Very high | 99 Ų | 99 | 46.3 Ų | 46.3 | 46% | 0.458 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 123.8 | 177.6 | -64.5 | 86.1 | 0 | 0 | 0 | 109.2 | F189 V190 A191 | H66-F189 WeakPolarHBondContact O-CA 3.12Å; H66-V190 HydrophobicContact CB-CG2 3.98Å; H66-V190 WeakPolarHBondContact O-CG2 3.36Å; H66-V190 PolarHBondContact O-N 3.26Å; H66-A191 HydrophobicContact CB-CB 4.43Å |
| 67 | T | 93.7 | Very high | 92.5 | Very high | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 166.8 | -176.1 | 83.9 | 0 | 0 | 0 | 0 | 111.5 | R69 G70 I72 L187 E188 F189 | T67-R69 PolarHBondContact O-N 2.93Å; T67-R69 WeakPolarHBondContact OG1-CA 3.49Å; T67-R69 PolarHBondContact OG1-N 3.28Å; T67-G70 WeakPolarHBondContact CB-O 3.42Å; T67-G70 WeakPolarHBondContact CG2-O 3.42Å; T67-G70 PolarHBondContact N-O 3.21Å; T67-G70 VanDerWaalsContact N-O 3.09Å; T67-G70 PolarHBondContact O-N 3.05Å; T67-G70 VanDerWaalsContact O-N 3.07Å; T67-G70 PolarHBondContact OG1-N 3.48Å; T67-G70 PolarHBondContact OG1-O 3.43Å; T67-I72 HydrophobicContact CG2-CD1 3.8Å; T67-I72 HydrophobicContact CG2-CG1 3.99Å; T67-L187 HydrophobicContact CG2-CD1 4.45Å; T67-L187 HydrophobicContact CG2-CD2 3.91Å; T67-L187 HydrophobicContact CG2-CG 4.34Å; T67-E188 CarbonylContact C-O 3.58Å; T67-E188 WeakPolarHBondContact CA-O 3.15Å; T67-E188 WeakPolarHBondContact CB-O 3.43Å; T67-F189 HydrophobicContact CG2-CD1 3.93Å; T67-F189 HydrophobicContact CG2-CE1 4.06Å |
| 68 | N | 93.1 | Very high | 93.1 | Very high | 55 Ų | 55 | 42.5 Ų | 42.5 | 29% | 0.294 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | 3.8 | 168.8 | 65.3 | -14.9 | 0 | 0 | 0 | 113.9 | N186 L187 E188 V190 | N68-N186 PolarHBondContact ND2-O 3.06Å; N68-L187 WeakPolarHBondContact OD1-CA 3.3Å; N68-E188 PolarHBondContact N-O 3.33Å; N68-E188 PolarHBondContact OD1-N 3.43Å; N68-E188 PolarHBondContact OD1-O 3.49Å; N68-V190 HydrophobicContact CB-CG1 3.84Å |
| 69 | R | 91.5 | Very high | 93.2 | Very high | 141 Ų | 141 | 40.8 Ų | 40.8 | 53% | 0.532 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.5 | 11 | 173.2 | -56.6 | -61.8 | 178.4 | -104.9 | -6.5 | 112.9 | T67 D184 L187 | T67-R69 PolarHBondContact O-N 2.93Å; T67-R69 WeakPolarHBondContact OG1-CA 3.49Å; T67-R69 PolarHBondContact OG1-N 3.28Å; R69-D184 IonicContact CZ-OD2 2.75Å; R69-D184 VanDerWaalsContact CZ-OD2 3.22Å; R69-D184 IonicContact NE-OD2 3.73Å; R69-D184 PolarHBondContact NE-OD2 3.07Å; R69-D184 IonicContact NH2-OD2 3.02Å; R69-D184 PolarHBondContact NH2-OD2 2.97Å; R69-L187 HydrophobicContact CG-CD1 4.42Å |
| 70 | G | 90.8 | Very high | 92.9 | Very high | 30 Ų | 30 | 37.2 Ų | 37.2 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 100.3 | -177.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | T67 | T67-G70 WeakPolarHBondContact CB-O 3.42Å; T67-G70 WeakPolarHBondContact CG2-O 3.42Å; T67-G70 PolarHBondContact N-O 3.21Å; T67-G70 VanDerWaalsContact N-O 3.09Å; T67-G70 PolarHBondContact O-N 3.05Å; T67-G70 VanDerWaalsContact O-N 3.07Å; T67-G70 PolarHBondContact OG1-N 3.48Å; T67-G70 PolarHBondContact OG1-O 3.43Å |
| 71 | P | 91.8 | Very high | 92.1 | Very high | 29 Ų | 29 | 34.2 Ų | 34.2 | 19% | 0.188 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 141.3 | -176.1 | 30.4 | -36 | 0 | 0 | 0 | 112.6 | V21 M64 F65 | V21-P71 HydrophobicContact CB-CG 4.47Å; V21-P71 HydrophobicContact CG1-CB 4.31Å; V21-P71 HydrophobicContact CG1-CG 4.4Å; V21-P71 HydrophobicContact CG2-CB 4.45Å; V21-P71 HydrophobicContact CG2-CG 3.86Å; M64-P71 HydrophobicContact CE-CB 3.81Å; F65-P71 WeakPolarHBondContact O-CA 3.3Å |
| 72 | I | 93.6 | Very high | 91.1 | Very high | 6 Ų | 6 | 35.7 Ų | 35.7 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 138.8 | 172 | -62 | -179 | 0 | 0 | 0 | 108.7 | A22 F24 F65 T67 Y74 A178 I182 L187 | A22-I72 HydrophobicContact CB-CG1 4.45Å; F24-I72 HydrophobicContact CD2-CG2 3.68Å; F24-I72 HydrophobicContact CE2-CG2 3.74Å; F65-I72 PolarHBondContact N-O 3.36Å; F65-I72 PolarHBondContact O-N 2.92Å; T67-I72 HydrophobicContact CG2-CD1 3.8Å; T67-I72 HydrophobicContact CG2-CG1 3.99Å; I72-Y74 HydrophobicContact CG2-CE2 4.1Å; I72-A178 HydrophobicContact CD1-CB 4.04Å; I72-I182 HydrophobicContact CD1-CD1 4.08Å; I72-I182 HydrophobicContact CD1-CG1 3.8Å; I72-L187 HydrophobicContact CD1-CD1 3.91Å |
| 73 | K | 94.7 | Very high | 89.6 | Confident | 38 Ų | 38 | 39.2 Ų | 39.2 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 127 | 174.8 | -167.9 | 170.5 | 64.7 | -174.4 | 0 | 111.2 | M11 V21 A22 V23 F24 P62 L63 M64 | M11-K73 HydrophobicContact CE-CD 4.1Å; V21-K73 HydrophobicContact CG1-CB 4Å; A22-K73 PolarHBondContact O-N 3.3Å; V23-K73 CarbonylContact C-O 3.56Å; V23-K73 WeakPolarHBondContact CA-O 3.42Å; V23-K73 HydrophobicContact CG1-CB 4.36Å; V23-K73 VanDerWaalsContact CG1-CE 3.47Å; V23-K73 HydrophobicContact CG2-CB 4.2Å; F24-K73 PolarHBondContact N-O 3.22Å; P62-K73 HydrophobicContact CB-CD 4.13Å; P62-K73 HydrophobicContact CB-CG 4.49Å; L63-K73 CarbonylContact O-C 3.46Å; L63-K73 WeakPolarHBondContact O-CA 3.47Å; M64-K73 HydrophobicContact CG-CG 4.45Å; M64-K73 HydrophobicContact SD-CB 3.48Å; M64-K73 WeakPolarHBondContact SD-CB 3.37Å; M64-K73 HydrophobicContact SD-CD 3.76Å; M64-K73 HydrophobicContact SD-CG 3.6Å |
| 74 | Y | 96.7 | Very high | 88 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 117.6 | 163.4 | -65.7 | -77.1 | 0 | 0 | 0 | 109.4 | F24 L26 L63 F65 I72 V76 F174 L177 A178 L181 | F24-Y74 HydrophobicContact CB-CD1 3.83Å; F24-Y74 HydrophobicContact CB-CE1 3.99Å; F24-Y74 HydrophobicContact CD2-CE1 4.22Å; F24-Y74 HydrophobicContact CG-CE1 4.4Å; F24-Y74 CarbonylContact O-C 3.58Å; F24-Y74 WeakPolarHBondContact O-CA 3.44Å; L26-Y74 HydrophobicContact CB-CD1 4.06Å; L26-Y74 HydrophobicContact CD1-CD1 3.89Å; L26-Y74 HydrophobicContact CD1-CE1 4.33Å; L26-Y74 HydrophobicContact CD1-CG 4.24Å; L63-Y74 PolarHBondContact N-O 3.29Å; L63-Y74 PolarHBondContact O-N 3.27Å; F65-Y74 AromaticContact CD2-CD2 3.67Å; F65-Y74 HydrophobicContact CD2-CD2 3.67Å; F65-Y74 HydrophobicContact CD2-CE2 4.01Å; F65-Y74 AromaticContact CE2-CD2 3.69Å; F65-Y74 HydrophobicContact CE2-CD2 3.69Å; F65-Y74 HydrophobicContact CE2-CE2 4.23Å; I72-Y74 HydrophobicContact CG2-CE2 4.1Å; Y74-V76 PolarHBondContact O-N 2.99Å; Y74-F174 AromaticContact CD2-CD1 3.67Å; Y74-F174 HydrophobicContact CD2-CD1 3.67Å; Y74-F174 HydrophobicContact CD2-CE1 4.33Å; Y74-F174 HydrophobicContact CE2-CB 4.17Å; Y74-F174 AromaticContact CE2-CD1 3.89Å; Y74-F174 HydrophobicContact CE2-CD1 3.89Å; Y74-F174 HydrophobicContact CG-CD1 4.17Å; Y74-F174 PolarHBondContact OH-O 3.49Å; Y74-L177 HydrophobicContact CE1-CB 4.47Å; Y74-A178 WeakPolarHBondContact OH-CA 3.37Å; Y74-A178 WeakPolarHBondContact OH-CB 3.38Å; Y74-A178 PolarHBondContact OH-N 2.86Å; Y74-L181 HydrophobicContact CE1-CD1 3.81Å |
| 75 | N | 96.3 | Very high | 86.4 | Confident | 46 Ų | 46 | 48.8 Ų | 48.8 | 25% | 0.246 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 98.1 | 161.3 | -69.3 | -25.9 | 0 | 0 | 0 | 106.5 | V23 F24 L26 V60 W77 | V23-N75 WeakPolarHBondContact CG1-ND2 3.28Å; F24-N75 PolarHBondContact O-N 3.46Å; L26-N75 PolarHBondContact N-O 3.04Å; V60-N75 HydrophobicContact CG1-CB 4.27Å; N75-W77 VanDerWaalsContact O-CD1 3.31Å |
| 76 | V | 96.8 | Very high | 84.5 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 117.4 | -177.9 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | L26 L28 V40 V60 H61 L63 Y74 D78 F174 | L26-V76 HydrophobicContact CB-CG2 4.34Å; L26-V76 HydrophobicContact CD2-CB 4.49Å; L26-V76 HydrophobicContact CD2-CG1 3.88Å; L26-V76 HydrophobicContact CD2-CG2 4.22Å; L26-V76 CarbonylContact O-C 3.6Å; L26-V76 WeakPolarHBondContact O-CA 3.47Å; L28-V76 HydrophobicContact CB-CG1 4.04Å; L28-V76 HydrophobicContact CD2-CG1 4.35Å; V40-V76 HydrophobicContact CG1-CG1 4.48Å; V40-V76 HydrophobicContact CG2-CG1 3.67Å; V60-V76 CarbonylContact C-O 3.56Å; V60-V76 WeakPolarHBondContact CA-O 3.45Å; H61-V76 PolarHBondContact N-O 3.15Å; H61-V76 PolarHBondContact O-N 3.16Å; L63-V76 HydrophobicContact CD1-CG2 3.68Å; L63-V76 HydrophobicContact CG-CG2 3.92Å; Y74-V76 PolarHBondContact O-N 2.99Å; V76-D78 PolarHBondContact O-N 3.35Å; V76-F174 HydrophobicContact CG2-CE1 4.19Å |
| 77 | W | 95.1 | Very high | 82.8 | Confident | 64 Ų | 64 | 49.4 Ų | 49.4 | 24% | 0.242 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 93.2 | 173.7 | -70 | 52.9 | 0 | 0 | 0 | 107.5 | K25 L26 V27 L28 V58 V60 N75 T79 Y92 | K25-W77 HydrophobicContact CD-CZ2 4.34Å; L26-W77 PolarHBondContact O-N 3.01Å; V27-W77 HydrophobicContact CG1-CB 4.17Å; L28-W77 PolarHBondContact N-O 3.39Å; V58-W77 HydrophobicContact CG1-CE3 4.43Å; V58-W77 HydrophobicContact CG2-CB 3.91Å; V58-W77 HydrophobicContact CG2-CD2 4.37Å; V58-W77 HydrophobicContact CG2-CE3 3.89Å; V58-W77 HydrophobicContact CG2-CG 4.45Å; V60-W77 HydrophobicContact CG2-CD2 3.82Å; V60-W77 HydrophobicContact CG2-CE3 4.33Å; V60-W77 HydrophobicContact CG2-CG 4.04Å; V60-W77 HydrophobicContact CG2-CZ2 4.24Å; N75-W77 VanDerWaalsContact O-CD1 3.31Å; W77-T79 PolarHBondContact O-N 3.2Å; W77-Y92 HydrophobicContact CE3-CD1 4.33Å; W77-Y92 HydrophobicContact CZ3-CD1 4.13Å |
| 78 | D | 93.7 | Very high | 81.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 109.4 | 174.4 | -178.8 | 30.8 | 0 | 0 | 0 | 109.5 | K36 T37 V40 V58 E59 V76 | K36-D78 VanDerWaalsContact CB-OD1 3.31Å; K36-D78 WeakPolarHBondContact CB-OD1 3.33Å; T37-D78 VanDerWaalsContact CA-OD2 3.22Å; T37-D78 WeakPolarHBondContact CA-OD2 3.35Å; T37-D78 VanDerWaalsContact CB-OD2 3.22Å; T37-D78 WeakPolarHBondContact CB-OD2 3.44Å; T37-D78 WeakPolarHBondContact CG2-OD2 3.38Å; T37-D78 PolarHBondContact OG1-OD2 2.66Å; V40-D78 HydrophobicContact CG2-CB 4.43Å; V58-D78 WeakPolarHBondContact CA-O 3.35Å; V58-D78 WeakPolarHBondContact CG2-O 3.48Å; E59-D78 PolarHBondContact N-O 3.1Å; E59-D78 PolarHBondContact O-N 3.34Å; V76-D78 PolarHBondContact O-N 3.35Å |
| 79 | T | 90 | Very high | 80 | Confident | 4 Ų | 4 | 53.5 Ų | 53.5 | 3% | 0.025 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 148.8 | -173 | 66 | 0 | 0 | 0 | 0 | 112.9 | L28 V29 K36 V58 W77 G81 Y92 | L28-T79 PolarHBondContact O-N 2.89Å; L28-T79 PolarHBondContact O-OG1 3.4Å; V29-T79 HydrophobicContact CG1-CG2 4.43Å; K36-T79 WeakPolarHBondContact CE-O 3.33Å; V58-T79 HydrophobicContact CG2-CG2 4.24Å; W77-T79 PolarHBondContact O-N 3.2Å; T79-G81 PolarHBondContact O-N 3.04Å; T79-Y92 HydrophobicContact CG2-CD2 4.49Å |
| 80 | A | 85.3 | Confident | 79.2 | Confident | 6 Ų | 6 | 50.1 Ų | 50.1 | 5% | 0.05 | 28% | 0.278 | C | S | . | . | trans | -61.6 | 121.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T55 G57 Q82 F85 | T55-A80 WeakPolarHBondContact O-CB 3.36Å; G57-A80 WeakPolarHBondContact O-CB 3.43Å; G57-A80 PolarHBondContact O-N 2.96Å; A80-Q82 VanDerWaalsContact C-N 3.32Å; A80-Q82 PolarHBondContact O-N 3.26Å; A80-F85 HydrophobicContact CB-CB 4.31Å; A80-F85 HydrophobicContact CB-CD2 4.15Å | ||
| 81 | G | 76.3 | Confident | 78.8 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 9% | 0.093 | 29% | 0.285 | C | S | . | . | trans | -84.3 | 0.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G30 D31 G32 T79 | G30-G81 WeakPolarHBondContact O-CA 3.41Å; D31-G81 CarbonylContact C-O 3.49Å; G32-G81 PolarHBondContact N-O 2.8Å; T79-G81 PolarHBondContact O-N 3.04Å | ||
| 82 | Q | 73.1 | Confident | 78.7 | Confident | 61 Ų | 61 | 51.5 Ų | 51.5 | 29% | 0.285 | 29% | 0.285 | S | S | . | . | trans | -86.1 | 136.3 | -179.7 | -57.6 | -170.3 | 4.9 | 0 | 0 | 110.9 | A80 K84 F85 R89 | A80-Q82 VanDerWaalsContact C-N 3.32Å; A80-Q82 PolarHBondContact O-N 3.26Å; Q82-K84 PolarHBondContact O-N 3.5Å; Q82-F85 HydrophobicContact CB-CD2 3.94Å; Q82-F85 HydrophobicContact CB-CE2 4.27Å; Q82-F85 PolarHBondContact O-N 3Å; Q82-R89 VanDerWaalsContact C-NH2 3.31Å; Q82-R89 PolarHBondContact O-NH2 3.23Å | ||
| 83 | E | 61.6 | Low | 78.5 | Confident | 157 Ų | 157 | 51.2 Ų | 51.2 | 73% | 0.734 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -60.6 | -29.5 | 178.4 | -62.9 | -172.3 | 157.9 | 0 | 0 | 113 | F85 G86 | E83-F85 PolarHBondContact O-N 3.29Å; E83-G86 PolarHBondContact O-N 2.99Å |
| 84 | K | 59.2 | Low | 78.4 | Confident | 186 Ų | 186 | 53.8 Ų | 53.8 | 81% | 0.809 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -60.4 | -17.7 | 178 | -62.3 | -174.1 | -180 | -177.2 | 0 | 114.1 | Q82 | Q82-K84 PolarHBondContact O-N 3.5Š|
| 85 | F | 56.7 | Low | 78.2 | Confident | 79 Ų | 79 | 60.6 Ų | 60.6 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -107.8 | 17.4 | 176.1 | -54.9 | -67.6 | 0 | 0 | 0 | 112.7 | L56 A80 Q82 E83 G87 | L56-F85 HydrophobicContact CD2-CE1 4.35Å; L56-F85 HydrophobicContact CD2-CE2 4.18Å; L56-F85 HydrophobicContact CD2-CZ 3.7Å; A80-F85 HydrophobicContact CB-CB 4.31Å; A80-F85 HydrophobicContact CB-CD2 4.15Å; Q82-F85 HydrophobicContact CB-CD2 3.94Å; Q82-F85 HydrophobicContact CB-CE2 4.27Å; Q82-F85 PolarHBondContact O-N 3Å; E83-F85 PolarHBondContact O-N 3.29Å; F85-G87 VanDerWaalsContact C-N 3.33Å; F85-G87 PolarHBondContact O-N 3.43Å |
| 86 | G | 53.7 | Low | 78.2 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -61.2 | -29.4 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | E83 L88 R89 | E83-G86 PolarHBondContact O-N 2.99Å; G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 3.42Å; G86-R89 WeakPolarHBondContact O-CB 3.42Å; G86-R89 VanDerWaalsContact O-CG 3.31Å; G86-R89 WeakPolarHBondContact O-CG 3.35Å; G86-R89 PolarHBondContact O-N 3.04Å |
| 87 | G | 55.3 | Low | 78.2 | Confident | 87 Ų | 87 | 60.2 Ų | 60.2 | 90% | 0.897 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -69.3 | -15.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | F85 | F85-G87 VanDerWaalsContact C-N 3.33Å; F85-G87 PolarHBondContact O-N 3.43Å |
| 88 | L | 59.8 | Low | 78.3 | Confident | 118 Ų | 118 | 57.1 Ų | 57.1 | 62% | 0.618 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -101.2 | 2.4 | -179.4 | -71.5 | 169.8 | 0 | 0 | 0 | 113.8 | G86 D90 Y92 | G86-L88 VanDerWaalsContact C-N 3.3Å; G86-L88 PolarHBondContact O-N 3.42Å; L88-D90 PolarHBondContact O-N 2.99Å; L88-Y92 HydrophobicContact CB-CE2 4.03Å; L88-Y92 WeakPolarHBondContact O-CD2 3.34Å |
| 89 | R | 68.4 | Low | 78.5 | Confident | 31 Ų | 31 | 57.1 Ų | 57.1 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.1 | -41.5 | -166.6 | -72.9 | 178.5 | -179.4 | 177.6 | 5.3 | 114.1 | Q82 G86 G91 Y92 Y93 | Q82-R89 VanDerWaalsContact C-NH2 3.31Å; Q82-R89 PolarHBondContact O-NH2 3.23Å; G86-R89 WeakPolarHBondContact O-CB 3.42Å; G86-R89 VanDerWaalsContact O-CG 3.31Å; G86-R89 WeakPolarHBondContact O-CG 3.35Å; G86-R89 PolarHBondContact O-N 3.04Å; R89-G91 VanDerWaalsContact C-N 3.29Å; R89-G91 PolarHBondContact O-N 3.46Å; R89-Y92 WeakPolarHBondContact O-CB 3.5Å; R89-Y92 PolarHBondContact O-N 2.79Å; R89-Y92 VanDerWaalsContact O-N 3.08Å; R89-Y93 HydrophobicContact CB-CE2 4.18Å; R89-Y93 PolarHBondContact O-N 2.99Å |
| 90 | D | 73.6 | Confident | 79 | Confident | 70 Ų | 70 | 57 Ų | 57 | 37% | 0.374 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.8 | -38.3 | -175.7 | -65.3 | 2.2 | 0 | 0 | 0 | 111.9 | L88 Y92 Y93 I94 V124 | L88-D90 PolarHBondContact O-N 2.99Å; D90-Y92 VanDerWaalsContact C-N 3.26Å; D90-Y92 PolarHBondContact O-N 3.4Å; D90-Y93 PolarHBondContact O-N 2.97Å; D90-Y93 VanDerWaalsContact O-N 3.08Å; D90-I94 PolarHBondContact O-N 3.05Å; D90-V124 HydrophobicContact CB-CG2 4.01Å |
| 91 | G | 84 | Confident | 79.6 | Confident | 45 Ų | 45 | 56.7 Ų | 56.7 | 46% | 0.464 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.1 | -31.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R89 Y93 | R89-G91 VanDerWaalsContact C-N 3.29Å; R89-G91 PolarHBondContact O-N 3.46Å; G91-Y93 VanDerWaalsContact C-N 3.32Å |
| 92 | Y | 88.3 | Confident | 80.6 | Confident | 44 Ų | 44 | 56.3 Ų | 56.3 | 17% | 0.173 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -73.1 | -25.9 | 176.9 | -56.9 | -39.5 | 0 | 0 | 0 | 112.5 | K25 V58 W77 T79 L88 R89 D90 | K25-Y92 WeakPolarHBondContact CE-O 3.3Å; K25-Y92 PolarHBondContact NZ-O 2.93Å; V58-Y92 HydrophobicContact CB-CD1 4.09Å; V58-Y92 HydrophobicContact CB-CD2 4.39Å; V58-Y92 HydrophobicContact CB-CE1 3.98Å; V58-Y92 HydrophobicContact CB-CE2 4.29Å; V58-Y92 HydrophobicContact CB-CG 4.3Å; V58-Y92 HydrophobicContact CG1-CD1 3.68Å; V58-Y92 HydrophobicContact CG1-CE1 3.38Å; V58-Y92 HydrophobicContact CG1-CG 4.39Å; W77-Y92 HydrophobicContact CE3-CD1 4.33Å; W77-Y92 HydrophobicContact CZ3-CD1 4.13Å; T79-Y92 HydrophobicContact CG2-CD2 4.49Å; L88-Y92 HydrophobicContact CB-CE2 4.03Å; L88-Y92 WeakPolarHBondContact O-CD2 3.34Å; R89-Y92 WeakPolarHBondContact O-CB 3.5Å; R89-Y92 PolarHBondContact O-N 2.79Å; R89-Y92 VanDerWaalsContact O-N 3.08Å; D90-Y92 VanDerWaalsContact C-N 3.26Å; D90-Y92 PolarHBondContact O-N 3.4Å |
| 93 | Y | 90.8 | Very high | 81.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -79.7 | -29.6 | -178.2 | -55.6 | -26.7 | 0 | 0 | 0 | 113.1 | V27 V29 R89 D90 G91 Q95 A96 D120 L121 V124 C125 | V27-Y93 HydrophobicContact CB-CD1 4.44Å; V27-Y93 HydrophobicContact CG1-CD1 4.4Å; V27-Y93 HydrophobicContact CG2-CD1 4.42Å; V29-Y93 HydrophobicContact CG1-CE1 3.54Å; R89-Y93 HydrophobicContact CB-CE2 4.18Å; R89-Y93 PolarHBondContact O-N 2.99Å; D90-Y93 PolarHBondContact O-N 2.97Å; D90-Y93 VanDerWaalsContact O-N 3.08Å; G91-Y93 VanDerWaalsContact C-N 3.32Å; Y93-Q95 PolarHBondContact O-N 3.25Å; Y93-A96 WeakPolarHBondContact O-CB 3.31Å; Y93-A96 PolarHBondContact O-N 2.72Å; Y93-D120 HydrophobicContact CE2-CB 4.31Å; Y93-L121 HydrophobicContact CD1-CD1 4.05Å; Y93-L121 HydrophobicContact CG-CD1 4.08Å; Y93-V124 HydrophobicContact CD2-CB 4.39Å; Y93-V124 HydrophobicContact CD2-CG2 4.06Å; Y93-C125 PolarHBondContact O-SG 3.07Å |
| 94 | I | 91.4 | Very high | 83.6 | Confident | 91 Ų | 91 | 46.5 Ų | 46.5 | 47% | 0.467 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.8 | 126.8 | -177.1 | -65.9 | 171.6 | 0 | 0 | 0 | 111.7 | K25 D90 A96 V124 | K25-I94 PolarHBondContact NZ-O 3.02Å; D90-I94 PolarHBondContact O-N 3.05Å; I94-A96 PolarHBondContact O-N 2.49Å; I94-V124 HydrophobicContact CG1-CG1 3.97Å |
| 95 | Q | 92.4 | Very high | 85.4 | Confident | 144 Ų | 144 | 37.6 Ų | 37.6 | 67% | 0.673 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 20.3 | -178.7 | -59.1 | 171.8 | -0.9 | 0 | 0 | 115.1 | Y93 Q97 | Y93-Q95 PolarHBondContact O-N 3.25Å; Q95-Q97 PolarHBondContact O-N 2.78Å |
| 96 | A | 95.9 | Very high | 87.4 | Confident | 7 Ų | 7 | 35.8 Ų | 35.8 | 6% | 0.058 | 22% | 0.219 | C | C | . | . | trans | -59.7 | 136.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | V27 Y93 I94 I128 | V27-A96 HydrophobicContact CB-CB 4.41Å; V27-A96 HydrophobicContact CG1-CB 3.72Å; V27-A96 HydrophobicContact CG2-CB 3.81Å; Y93-A96 WeakPolarHBondContact O-CB 3.31Å; Y93-A96 PolarHBondContact O-N 2.72Å; I94-A96 PolarHBondContact O-N 2.49Å; A96-I128 HydrophobicContact CB-CD1 4.17Å; A96-I128 WeakPolarHBondContact O-CG2 3.46Å | ||
| 97 | Q | 97.4 | Very high | 89.5 | Confident | 32 Ų | 32 | 36.2 Ų | 36.2 | 15% | 0.15 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -101.3 | -20.4 | 177.2 | -69 | 156.8 | -78 | 0 | 0 | 110.9 | V5 F24 K25 Q95 P129 L181 | V5-Q97 PolarHBondContact O-NE2 3.47Å; F24-Q97 VanDerWaalsContact CA-OE1 3.29Å; F24-Q97 HydrophobicContact CD1-CB 4.27Å; K25-Q97 PolarHBondContact O-N 2.83Å; Q95-Q97 PolarHBondContact O-N 2.78Å; Q97-P129 WeakPolarHBondContact O-CD 3.42Å; Q97-L181 HydrophobicContact CB-CD2 4.34Å; Q97-L181 WeakPolarHBondContact O-CD2 2.91Å |
| 98 | C | 98.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 166.1 | 175.1 | 57 | 0 | 0 | 0 | 0 | 110.7 | K25 L26 V27 P129 L177 L181 | K25-C98 PolarHBondContact O-N 2.9Å; L26-C98 WeakPolarHBondContact CA-O 3.5Å; V27-C98 PolarHBondContact N-O 2.88Å; V27-C98 VanDerWaalsContact N-O 3.08Å; C98-P129 VanDerWaalsContact CA-O 3.3Å; C98-P129 WeakPolarHBondContact CA-O 3.33Å; C98-P129 HydrophobicContact CB-CG 4.01Å; C98-L177 HydrophobicContact CB-CD1 4.18Å; C98-L177 HydrophobicContact CB-CD2 3.75Å; C98-L177 HydrophobicContact CB-CG 4.42Å; C98-L181 HydrophobicContact CB-CD1 4.03Å; C98-L181 HydrophobicContact CB-CD2 4.43Å |
| 99 | A | 98.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 157.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V27 L121 I128 P129 I130 V131 | V27-A99 HydrophobicContact CG2-CB 3.54Å; V27-A99 VanDerWaalsContact O-CA 3.24Å; V27-A99 WeakPolarHBondContact O-CA 3.38Å; V27-A99 WeakPolarHBondContact O-CB 3.44Å; A99-L121 HydrophobicContact CB-CD1 4.23Å; A99-L121 HydrophobicContact CB-CD2 3.4Å; A99-L121 VanDerWaalsContact CB-CD2 3.4Å; A99-L121 HydrophobicContact CB-CG 4.44Å; A99-I128 HydrophobicContact CB-CD1 4.15Å; A99-P129 PolarHBondContact N-O 3Å; A99-I130 HydrophobicContact CB-CG1 4.12Å; A99-I130 HydrophobicContact CB-CG2 4.33Å; A99-I130 WeakPolarHBondContact O-CA 3.24Å; A99-V131 PolarHBondContact O-N 3.45Å |
| 100 | I | 98.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.2 | 164.6 | -63.5 | 174.8 | 0 | 0 | 0 | 107.8 | L26 V27 L28 V29 F39 V131 C133 P173 F174 L177 | L26-I100 HydrophobicContact CD1-CD1 4.04Å; L26-I100 HydrophobicContact CD1-CG1 4.28Å; L26-I100 HydrophobicContact CD2-CB 4.5Å; L26-I100 HydrophobicContact CD2-CD1 4.19Å; L26-I100 HydrophobicContact CD2-CG1 4.2Å; V27-I100 PolarHBondContact O-N 2.84Å; L28-I100 HydrophobicContact CD1-CB 3.72Å; L28-I100 HydrophobicContact CD1-CG2 3.62Å; V29-I100 PolarHBondContact N-O 2.84Å; F39-I100 HydrophobicContact CE1-CD1 4.14Å; I100-V131 CarbonylContact C-O 3.53Å; I100-V131 WeakPolarHBondContact CA-O 3.38Å; I100-V131 HydrophobicContact CG1-CB 4.43Å; I100-C133 HydrophobicContact CG2-CB 4.21Å; I100-P173 HydrophobicContact CD1-CB 3.84Å; I100-P173 HydrophobicContact CG1-CB 4.45Å; I100-F174 HydrophobicContact CD1-CE1 4.5Å; I100-F174 HydrophobicContact CD1-CZ 4.38Å; I100-L177 HydrophobicContact CD1-CD1 4.34Å; I100-L177 HydrophobicContact CG1-CD1 3.98Å |
| 101 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.5 | 168.9 | -52.7 | 179.6 | 0 | 0 | 0 | 107.4 | V29 V114 W117 H118 L121 I130 V131 L132 C133 | V29-I101 HydrophobicContact CG2-CB 4.24Å; V29-I101 HydrophobicContact CG2-CG1 3.73Å; V29-I101 HydrophobicContact CG2-CG2 4.33Å; I101-V114 HydrophobicContact CG2-CG1 4.2Å; I101-V114 HydrophobicContact CG2-CG2 4.32Å; I101-W117 HydrophobicContact CG2-CB 4.12Å; I101-H118 HydrophobicContact CD1-CB 3.78Å; I101-L121 HydrophobicContact CD1-CD2 4.49Å; I101-I130 HydrophobicContact CD1-CG2 3.89Å; I101-I130 HydrophobicContact CG1-CG2 3.84Å; I101-V131 PolarHBondContact N-O 3.27Å; I101-L132 HydrophobicContact CB-CD1 4.11Å; I101-L132 HydrophobicContact CG2-CD1 4.13Å; I101-L132 WeakPolarHBondContact O-CA 3.18Å; I101-C133 PolarHBondContact O-N 2.97Å |
| 102 | M | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 131.4 | -176.6 | -172 | 176.8 | -65.4 | 0 | 0 | 112 | L28 V29 G30 K36 F39 C133 N135 I162 | L28-M102 HydrophobicContact CD1-CB 4.44Å; L28-M102 HydrophobicContact CD1-CE 4.2Å; V29-M102 PolarHBondContact O-N 3.01Å; G30-M102 WeakPolarHBondContact CA-O 3.48Å; K36-M102 HydrophobicContact CG-CB 4.08Å; K36-M102 HydrophobicContact CG-SD 4.06Å; F39-M102 HydrophobicContact CB-CE 3.79Å; F39-M102 HydrophobicContact CD1-CE 3.92Å; F39-M102 HydrophobicContact CD2-CE 4.19Å; F39-M102 HydrophobicContact CG-CE 3.72Å; M102-C133 WeakPolarHBondContact CA-O 2.99Å; M102-N135 HydrophobicContact CG-CB 4.02Å; M102-N135 HydrophobicContact SD-CB 3.93Å; M102-I162 HydrophobicContact CE-CD1 3.83Å |
| 103 | F | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 169.7 | 167.4 | 72 | -87 | 0 | 0 | 0 | 110.9 | V105 Y111 V114 L132 C133 G134 N135 V144 I149 Y159 | F103-V105 HydrophobicContact CE2-CG1 3.96Å; F103-Y111 AromaticContact CD1-CD2 3.94Å; F103-Y111 HydrophobicContact CD1-CD2 3.94Å; F103-Y111 HydrophobicContact CD2-CD2 4.02Å; F103-Y111 HydrophobicContact CD2-CG 4.34Å; F103-Y111 AromaticContact CE1-CD2 3.78Å; F103-Y111 HydrophobicContact CE1-CD2 3.78Å; F103-Y111 HydrophobicContact CE1-CE2 4.23Å; F103-Y111 AromaticContact CE2-CD2 3.89Å; F103-Y111 HydrophobicContact CE2-CD2 3.89Å; F103-Y111 HydrophobicContact CE2-CG 4.34Å; F103-Y111 HydrophobicContact CG-CD2 4.05Å; F103-Y111 AromaticContact CZ-CD2 3.76Å; F103-Y111 HydrophobicContact CZ-CD2 3.76Å; F103-Y111 HydrophobicContact CZ-CE2 4.3Å; F103-V114 HydrophobicContact CB-CG2 4.01Å; F103-V114 HydrophobicContact CD1-CG2 4.04Å; F103-V114 HydrophobicContact CG-CG2 4.3Å; F103-L132 HydrophobicContact CD1-CD1 3.77Å; F103-L132 HydrophobicContact CD1-CG 4.22Å; F103-L132 HydrophobicContact CE1-CD1 3.96Å; F103-L132 HydrophobicContact CE1-CD2 4.13Å; F103-L132 HydrophobicContact CE1-CG 3.88Å; F103-C133 WeakPolarHBondContact CD1-O 3.47Å; F103-C133 PolarHBondContact N-O 2.88Å; F103-G134 VanDerWaalsContact CZ-CA 3.5Å; F103-N135 PolarHBondContact O-N 2.86Å; F103-V144 HydrophobicContact CE2-CB 4.24Å; F103-V144 HydrophobicContact CE2-CG1 3.9Å; F103-I149 HydrophobicContact CE2-CD1 4.42Å; F103-I149 HydrophobicContact CZ-CD1 3.9Å; F103-I149 HydrophobicContact CZ-CG1 4.14Å; F103-I149 HydrophobicContact CZ-CG2 4.37Å; F103-Y159 AromaticContact CE1-CE2 3.69Å; F103-Y159 HydrophobicContact CE1-CE2 3.69Å; F103-Y159 AromaticContact CZ-CE2 3.75Å; F103-Y159 HydrophobicContact CZ-CE2 3.75Å |
| 104 | D | 98.2 | Very high | 97 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.059 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.4 | 179.1 | -178.6 | -16 | 0 | 0 | 0 | 109.6 | T34 T106 S107 T110 K136 | T34-D104 HydrophobicContact CG2-CB 4.3Å; D104-T106 PolarHBondContact O-N 2.69Å; D104-T106 VanDerWaalsContact O-N 3.1Å; D104-T106 WeakPolarHBondContact OD1-CA 3.28Å; D104-T106 WeakPolarHBondContact OD1-CB 3.43Å; D104-T106 PolarHBondContact OD1-N 3.32Å; D104-T106 PolarHBondContact OD1-OG1 3.03Å; D104-T106 PolarHBondContact OD2-OG1 2.91Å; D104-S107 PolarHBondContact O-N 2.83Å; D104-T110 HydrophobicContact CB-CG2 4.36Å; D104-T110 PolarHBondContact N-OG1 2.93Å; D104-T110 PolarHBondContact O-OG1 3.22Å; D104-K136 VanDerWaalsContact OD2-CD 3.32Å; D104-K136 WeakPolarHBondContact OD2-CD 3.42Å; D104-K136 WeakPolarHBondContact OD2-CE 3.32Å; D104-K136 IonicContact OD2-NZ 2.66Å; D104-K136 PolarHBondContact OD2-NZ 3.49Å |
| 105 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -14.4 | -178.4 | -55.7 | 0 | 0 | 0 | 0 | 113.3 | F103 N135 V137 R142 K143 V144 | F103-V105 HydrophobicContact CE2-CG1 3.96Å; V105-N135 WeakPolarHBondContact CG2-O 3.35Å; V105-N135 PolarHBondContact N-O 3.1Å; V105-V137 HydrophobicContact CG1-CG1 4.01Å; V105-V137 HydrophobicContact CG2-CG1 4.11Å; V105-R142 HydrophobicContact CB-CG 4.08Å; V105-R142 HydrophobicContact CG2-CG 4.08Å; V105-K143 PolarHBondContact O-N 2.91Å; V105-V144 PolarHBondContact O-N 3.44Å |
| 106 | T | 97.9 | Very high | 97.3 | Very high | 40 Ų | 40 | 35.5 Ų | 35.5 | 25% | 0.245 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -7.6 | 174.9 | 72.1 | 0 | 0 | 0 | 0 | 113.1 | D104 I139 K143 | D104-T106 PolarHBondContact O-N 2.69Å; D104-T106 VanDerWaalsContact O-N 3.1Å; D104-T106 WeakPolarHBondContact OD1-CA 3.28Å; D104-T106 WeakPolarHBondContact OD1-CB 3.43Å; D104-T106 PolarHBondContact OD1-N 3.32Å; D104-T106 PolarHBondContact OD1-OG1 3.03Å; D104-T106 PolarHBondContact OD2-OG1 2.91Å; T106-I139 HydrophobicContact CG2-CB 3.7Å; T106-I139 HydrophobicContact CG2-CD1 3.79Å; T106-I139 HydrophobicContact CG2-CG1 4.3Å; T106-I139 HydrophobicContact CG2-CG2 3.71Å; T106-K143 WeakPolarHBondContact O-CG 3.13Å |
| 107 | S | 97.7 | Very high | 97.2 | Very high | 38 Ų | 38 | 35.6 Ų | 35.6 | 27% | 0.266 | 18% | 0.175 | S | C | . | . | trans | -131.2 | 102 | -175.2 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | D104 V109 T110 | D104-S107 PolarHBondContact O-N 2.83Å; S107-V109 VanDerWaalsContact C-N 3.25Å; S107-V109 PolarHBondContact O-N 3.11Å; S107-V109 WeakPolarHBondContact OG-CG1 3.39Å; S107-T110 PolarHBondContact O-N 2.73Å; S107-T110 VanDerWaalsContact O-N 3.1Å; S107-T110 PolarHBondContact O-OG1 2.98Å | ||
| 108 | R | 96.9 | Very high | 97.1 | Very high | 179 Ų | 179 | 35 Ų | 35 | 68% | 0.675 | 17% | 0.172 | S | C | * | . | H | α-helix | trans | -57.5 | -35.8 | -177.3 | -65.3 | -175.6 | 178 | 176.5 | 2.7 | 113.5 | T110 Y111 K112 K143 V144 | R108-T110 PolarHBondContact O-N 3.21Å; R108-Y111 PolarHBondContact O-N 3.2Å; R108-K112 PolarHBondContact O-N 3.44Å; R108-K143 HydrophobicContact CG-CB 3.93Å; R108-K143 PolarHBondContact NE-O 3.19Å; R108-V144 HydrophobicContact CB-CG2 4.45Å; R108-V144 HydrophobicContact CG-CG2 4.13Å |
| 109 | V | 96.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 41.4 Ų | 41.4 | 50% | 0.497 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.6 | -37.7 | 179.8 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | S107 Y111 K112 N113 | S107-V109 VanDerWaalsContact C-N 3.25Å; S107-V109 PolarHBondContact O-N 3.11Å; S107-V109 WeakPolarHBondContact OG-CG1 3.39Å; V109-Y111 VanDerWaalsContact C-N 3.29Å; V109-Y111 PolarHBondContact O-N 2.63Å; V109-K112 WeakPolarHBondContact O-CB 3.47Å; V109-K112 PolarHBondContact O-N 2.74Å; V109-K112 VanDerWaalsContact O-N 3.15Å; V109-N113 PolarHBondContact O-N 3.48Å; V109-N113 PolarHBondContact O-ND2 3.23Å |
| 110 | T | 97.6 | Very high | 96.6 | Very high | 9 Ų | 9 | 43.1 Ų | 43.1 | 6% | 0.055 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.4 | -32.8 | -179.7 | 68.8 | 0 | 0 | 0 | 0 | 112.4 | D31 T34 D104 S107 R108 | D31-T110 HydrophobicContact CB-CG2 3.84Å; D31-T110 WeakPolarHBondContact OD2-CA 3.36Å; T34-T110 HydrophobicContact CG2-CG2 3.87Å; D104-T110 HydrophobicContact CB-CG2 4.36Å; D104-T110 PolarHBondContact N-OG1 2.93Å; D104-T110 PolarHBondContact O-OG1 3.22Å; S107-T110 PolarHBondContact O-N 2.73Å; S107-T110 VanDerWaalsContact O-N 3.1Å; S107-T110 PolarHBondContact O-OG1 2.98Å; R108-T110 PolarHBondContact O-N 3.21Å |
| 111 | Y | 98.1 | Very high | 96.3 | Very high | 33 Ų | 33 | 43 Ų | 43 | 13% | 0.129 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.7 | -40.8 | 172.7 | -178.1 | -108.6 | 0 | 0 | 0 | 111.8 | F103 R108 V109 N113 V114 L132 V144 S148 I149 V150 F151 | F103-Y111 AromaticContact CD1-CD2 3.94Å; F103-Y111 HydrophobicContact CD1-CD2 3.94Å; F103-Y111 HydrophobicContact CD2-CD2 4.02Å; F103-Y111 HydrophobicContact CD2-CG 4.34Å; F103-Y111 AromaticContact CE1-CD2 3.78Å; F103-Y111 HydrophobicContact CE1-CD2 3.78Å; F103-Y111 HydrophobicContact CE1-CE2 4.23Å; F103-Y111 AromaticContact CE2-CD2 3.89Å; F103-Y111 HydrophobicContact CE2-CD2 3.89Å; F103-Y111 HydrophobicContact CE2-CG 4.34Å; F103-Y111 HydrophobicContact CG-CD2 4.05Å; F103-Y111 AromaticContact CZ-CD2 3.76Å; F103-Y111 HydrophobicContact CZ-CD2 3.76Å; F103-Y111 HydrophobicContact CZ-CE2 4.3Å; R108-Y111 PolarHBondContact O-N 3.2Å; V109-Y111 VanDerWaalsContact C-N 3.29Å; V109-Y111 PolarHBondContact O-N 2.63Å; Y111-N113 PolarHBondContact O-N 3.08Å; Y111-N113 VanDerWaalsContact O-N 3.16Å; Y111-V114 HydrophobicContact CD2-CG2 4.14Å; Y111-V114 VanDerWaalsContact O-CB 3.3Å; Y111-V114 WeakPolarHBondContact O-CB 3.01Å; Y111-V114 WeakPolarHBondContact O-CG2 3.42Å; Y111-V114 PolarHBondContact O-N 2.91Å; Y111-L132 HydrophobicContact CE2-CD2 4.35Å; Y111-V144 HydrophobicContact CD1-CG1 4.02Å; Y111-V144 HydrophobicContact CD2-CG1 4.37Å; Y111-V144 HydrophobicContact CG-CG1 3.87Å; Y111-S148 VanDerWaalsContact CE1-O 3.24Å; Y111-S148 WeakPolarHBondContact CE1-O 3.31Å; Y111-S148 PolarHBondContact OH-O 3.3Å; Y111-I149 HydrophobicContact CE2-CB 4.41Å; Y111-I149 HydrophobicContact CE2-CG1 4.31Å; Y111-I149 HydrophobicContact CE2-CG2 3.97Å; Y111-I149 VanDerWaalsContact OH-CA 3.31Å; Y111-I149 WeakPolarHBondContact OH-CA 3.32Å; Y111-V150 PolarHBondContact OH-N 2.95Å; Y111-F151 HydrophobicContact CE2-CB 4.44Å; Y111-F151 WeakPolarHBondContact OH-CB 3.39Å; Y111-F151 PolarHBondContact OH-N 3.28Å; Y111-F151 VanDerWaalsContact OH-N 3.09Å |
| 112 | K | 96.6 | Very high | 96.1 | Very high | 169 Ų | 169 | 45.2 Ų | 45.2 | 74% | 0.735 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -57.6 | -28.9 | 174.6 | -173.8 | 175.1 | 179.4 | 175.2 | 0 | 112.5 | R108 V109 P115 | R108-K112 PolarHBondContact O-N 3.44Å; V109-K112 WeakPolarHBondContact O-CB 3.47Å; V109-K112 PolarHBondContact O-N 2.74Å; V109-K112 VanDerWaalsContact O-N 3.15Å; K112-P115 VanDerWaalsContact O-CD 3.3Å; K112-P115 WeakPolarHBondContact O-CD 3.24Å |
| 113 | N | 95.9 | Very high | 95.8 | Very high | 28 Ų | 28 | 54.1 Ų | 54.1 | 15% | 0.15 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -10.9 | 178.6 | -71.9 | -19.3 | 0 | 0 | 0 | 114.5 | D31 V109 Y111 P115 N116 W117 | D31-N113 WeakPolarHBondContact OD1-CB 3.34Å; D31-N113 PolarHBondContact OD2-ND2 3.37Å; V109-N113 PolarHBondContact O-N 3.48Å; V109-N113 PolarHBondContact O-ND2 3.23Å; Y111-N113 PolarHBondContact O-N 3.08Å; Y111-N113 VanDerWaalsContact O-N 3.16Å; N113-P115 VanDerWaalsContact C-CD 3.46Å; N113-N116 WeakPolarHBondContact O-CB 3.16Å; N113-N116 PolarHBondContact O-N 2.84Å; N113-W117 VanDerWaalsContact O-CD1 3.25Å; N113-W117 PolarHBondContact O-N 3.32Å |
| 114 | V | 96.9 | Very high | 95.5 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.006 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -52.7 | -43.9 | 178 | 167.5 | 0 | 0 | 0 | 0 | 113.1 | I101 F103 Y111 N116 W117 H118 L132 F151 | I101-V114 HydrophobicContact CG2-CG1 4.2Å; I101-V114 HydrophobicContact CG2-CG2 4.32Å; F103-V114 HydrophobicContact CB-CG2 4.01Å; F103-V114 HydrophobicContact CD1-CG2 4.04Å; F103-V114 HydrophobicContact CG-CG2 4.3Å; Y111-V114 HydrophobicContact CD2-CG2 4.14Å; Y111-V114 VanDerWaalsContact O-CB 3.3Å; Y111-V114 WeakPolarHBondContact O-CB 3.01Å; Y111-V114 WeakPolarHBondContact O-CG2 3.42Å; Y111-V114 PolarHBondContact O-N 2.91Å; V114-N116 VanDerWaalsContact C-N 3.26Å; V114-N116 PolarHBondContact O-N 2.91Å; V114-W117 PolarHBondContact O-N 3.05Å; V114-H118 WeakPolarHBondContact O-CB 3.48Å; V114-H118 PolarHBondContact O-N 2.93Å; V114-L132 HydrophobicContact CB-CD1 4.47Å; V114-L132 HydrophobicContact CG1-CD1 3.63Å; V114-L132 HydrophobicContact CG1-CD2 4.47Å; V114-L132 HydrophobicContact CG2-CD1 3.92Å; V114-F151 HydrophobicContact CG1-CD1 3.5Å; V114-F151 VanDerWaalsContact CG1-CD1 3.5Å; V114-F151 HydrophobicContact CG1-CE1 3.74Å; V114-F151 HydrophobicContact CG1-CG 4.11Å |
| 115 | P | 96.1 | Very high | 95.2 | Very high | 53 Ų | 53 | 56.3 Ų | 56.3 | 34% | 0.344 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.6 | -35 | 176.8 | -24.8 | 34.9 | 0 | 0 | 0 | 113.8 | K112 N113 R119 F151 | K112-P115 VanDerWaalsContact O-CD 3.3Å; K112-P115 WeakPolarHBondContact O-CD 3.24Å; N113-P115 VanDerWaalsContact C-CD 3.46Å; P115-R119 VanDerWaalsContact O-CB 3.28Å; P115-R119 WeakPolarHBondContact O-CB 3.36Å; P115-R119 PolarHBondContact O-N 3.3Å; P115-F151 HydrophobicContact CB-CD2 4.35Å; P115-F151 HydrophobicContact CB-CE2 3.72Å; P115-F151 HydrophobicContact CB-CZ 4.24Å; P115-F151 HydrophobicContact CG-CD2 3.82Å; P115-F151 HydrophobicContact CG-CE2 3.7Å; P115-F151 HydrophobicContact CG-CZ 4.45Å |
| 116 | N | 93.4 | Very high | 94.7 | Very high | 62 Ų | 62 | 63.7 Ų | 63.7 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -67.1 | -49.9 | 177.4 | -65.6 | -38.7 | 0 | 0 | 0 | 110.6 | N113 V114 H118 R119 D120 | N113-N116 WeakPolarHBondContact O-CB 3.16Å; N113-N116 PolarHBondContact O-N 2.84Å; V114-N116 VanDerWaalsContact C-N 3.26Å; V114-N116 PolarHBondContact O-N 2.91Å; N116-H118 VanDerWaalsContact C-N 3.29Å; N116-H118 PolarHBondContact O-N 3.22Å; N116-R119 PolarHBondContact O-N 2.82Å; N116-R119 PolarHBondContact OD1-NH1 2.79Å; N116-R119 PolarHBondContact OD1-NH2 2.99Å; N116-D120 PolarHBondContact O-N 3.07Å |
| 117 | W | 94.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 69.4 Ų | 69.4 | 3% | 0.03 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 176.4 | -70.2 | 109 | 0 | 0 | 0 | 112.6 | V29 G30 D31 I101 N113 V114 L121 | V29-W117 HydrophobicContact CB-CD2 4.47Å; V29-W117 HydrophobicContact CB-CE3 3.88Å; V29-W117 HydrophobicContact CB-CZ3 4.26Å; V29-W117 HydrophobicContact CG2-CB 4.35Å; V29-W117 HydrophobicContact CG2-CE3 4.46Å; G30-W117 VanDerWaalsContact C-CE2 3.46Å; G30-W117 VanDerWaalsContact C-CZ2 3.44Å; G30-W117 WeakPolarHBondContact O-CZ2 3.22Å; D31-W117 PolarHBondContact OD1-NE1 3.23Å; I101-W117 HydrophobicContact CG2-CB 4.12Å; N113-W117 VanDerWaalsContact O-CD1 3.25Å; N113-W117 PolarHBondContact O-N 3.32Å; V114-W117 PolarHBondContact O-N 3.05Å; W117-L121 VanDerWaalsContact O-CB 3.25Å; W117-L121 WeakPolarHBondContact O-CB 3.47Å; W117-L121 PolarHBondContact O-N 2.64Å |
| 118 | H | 95.2 | Very high | 94.2 | Very high | 19 Ų | 19 | 69 Ų | 69 | 9% | 0.088 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 175.7 | 176.1 | -81.4 | 0 | 0 | 0 | 111.5 | I101 V114 N116 D120 L121 V122 F151 | I101-H118 HydrophobicContact CD1-CB 3.78Å; V114-H118 WeakPolarHBondContact O-CB 3.48Å; V114-H118 PolarHBondContact O-N 2.93Å; N116-H118 VanDerWaalsContact C-N 3.29Å; N116-H118 PolarHBondContact O-N 3.22Å; H118-D120 VanDerWaalsContact C-N 3.33Å; H118-D120 PolarHBondContact O-N 2.98Å; H118-L121 PolarHBondContact O-N 3.37Å; H118-V122 WeakPolarHBondContact O-CG1 3.31Å; H118-V122 WeakPolarHBondContact O-CG2 3.35Å; H118-V122 PolarHBondContact O-N 3.44Å; H118-F151 HydrophobicContact CB-CE1 3.74Å; H118-F151 HydrophobicContact CB-CZ 3.61Å; H118-F151 AromaticContact CD2-CE1 3.92Å; H118-F151 AromaticContact CG-CE1 3.78Å; H118-F151 AromaticContact CG-CZ 3.61Å; H118-F151 AromaticContact ND1-CZ 3.97Å |
| 119 | R | 93.1 | Very high | 94.3 | Very high | 135 Ų | 135 | 62 Ų | 62 | 51% | 0.509 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -55.8 | -48.5 | 178.9 | 178.3 | -169.5 | 63.5 | -136.1 | -9 | 111.3 | P115 N116 L121 V122 R123 | P115-R119 VanDerWaalsContact O-CB 3.28Å; P115-R119 WeakPolarHBondContact O-CB 3.36Å; P115-R119 PolarHBondContact O-N 3.3Å; N116-R119 PolarHBondContact O-N 2.82Å; N116-R119 PolarHBondContact OD1-NH1 2.79Å; N116-R119 PolarHBondContact OD1-NH2 2.99Å; R119-L121 VanDerWaalsContact C-N 3.32Å; R119-L121 PolarHBondContact O-N 2.93Å; R119-V122 WeakPolarHBondContact O-CG2 3.2Å; R119-V122 PolarHBondContact O-N 2.9Å; R119-R123 WeakPolarHBondContact O-CB 3.46Å; R119-R123 PolarHBondContact O-N 2.86Å |
| 120 | D | 91.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 58.4 Ų | 58.4 | 19% | 0.193 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.1 | -37.6 | -177 | -58.9 | -9.9 | 0 | 0 | 0 | 110.8 | Y93 N116 H118 | Y93-D120 HydrophobicContact CE2-CB 4.31Å; N116-D120 PolarHBondContact O-N 3.07Å; H118-D120 VanDerWaalsContact C-N 3.33Å; H118-D120 PolarHBondContact O-N 2.98Å |
| 121 | L | 92.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -52.1 | 175.2 | -179.8 | 70.6 | 0 | 0 | 0 | 112.3 | V27 Y93 A99 I101 W117 H118 R119 R123 V124 C125 I128 I130 | V27-L121 HydrophobicContact CG2-CD1 3.48Å; V27-L121 VanDerWaalsContact CG2-CD1 3.48Å; Y93-L121 HydrophobicContact CD1-CD1 4.05Å; Y93-L121 HydrophobicContact CG-CD1 4.08Å; A99-L121 HydrophobicContact CB-CD1 4.23Å; A99-L121 HydrophobicContact CB-CD2 3.4Å; A99-L121 VanDerWaalsContact CB-CD2 3.4Å; A99-L121 HydrophobicContact CB-CG 4.44Å; I101-L121 HydrophobicContact CD1-CD2 4.49Å; W117-L121 VanDerWaalsContact O-CB 3.25Å; W117-L121 WeakPolarHBondContact O-CB 3.47Å; W117-L121 PolarHBondContact O-N 2.64Å; H118-L121 PolarHBondContact O-N 3.37Å; R119-L121 VanDerWaalsContact C-N 3.32Å; R119-L121 PolarHBondContact O-N 2.93Å; L121-R123 PolarHBondContact O-N 3.36Å; L121-V124 PolarHBondContact O-N 3.25Å; L121-V124 VanDerWaalsContact O-N 3.11Å; L121-C125 PolarHBondContact O-N 3.2Å; L121-I128 HydrophobicContact CD1-CD1 4.35Å; L121-I128 HydrophobicContact CD2-CD1 4.41Å; L121-I128 HydrophobicContact CG-CD1 4.44Å; L121-I130 HydrophobicContact CD2-CD1 3.63Å; L121-I130 HydrophobicContact CD2-CG1 3.94Å; L121-I130 HydrophobicContact CD2-CG2 4.49Å |
| 122 | V | 93.6 | Very high | 94.4 | Very high | 46 Ų | 46 | 56.4 Ų | 56.4 | 28% | 0.279 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -71.6 | -19.5 | -176.2 | -58.5 | 0 | 0 | 0 | 0 | 113.1 | H118 R119 V124 C125 I130 | H118-V122 WeakPolarHBondContact O-CG1 3.31Å; H118-V122 WeakPolarHBondContact O-CG2 3.35Å; H118-V122 PolarHBondContact O-N 3.44Å; R119-V122 WeakPolarHBondContact O-CG2 3.2Å; R119-V122 PolarHBondContact O-N 2.9Å; V122-V124 PolarHBondContact O-N 3.34Å; V122-C125 WeakPolarHBondContact CA-O 3.43Å; V122-I130 HydrophobicContact CG1-CD1 4.08Å |
| 123 | R | 92.1 | Very high | 94.5 | Very high | 188 Ų | 188 | 48.3 Ų | 48.3 | 71% | 0.709 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -62.7 | -31 | 170.3 | -176.6 | -177.8 | 179.3 | -161.5 | -0.5 | 112.4 | R119 L121 | R119-R123 WeakPolarHBondContact O-CB 3.46Å; R119-R123 PolarHBondContact O-N 2.86Å; L121-R123 PolarHBondContact O-N 3.36Å |
| 124 | V | 92.6 | Very high | 94.7 | Very high | 48 Ų | 48 | 47 Ų | 47 | 29% | 0.291 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -100.3 | -38.1 | -179.5 | -176.5 | 0 | 0 | 0 | 0 | 111.8 | D90 Y93 I94 L121 V122 | D90-V124 HydrophobicContact CB-CG2 4.01Å; Y93-V124 HydrophobicContact CD2-CB 4.39Å; Y93-V124 HydrophobicContact CD2-CG2 4.06Å; I94-V124 HydrophobicContact CG1-CG1 3.97Å; L121-V124 PolarHBondContact O-N 3.25Å; L121-V124 VanDerWaalsContact O-N 3.11Å; V122-V124 PolarHBondContact O-N 3.34Å |
| 125 | C | 91.5 | Very high | 94.7 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 6% | 0.061 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -123.4 | 96.9 | -177.5 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | Y93 L121 V122 I128 | Y93-C125 PolarHBondContact O-SG 3.07Å; L121-C125 PolarHBondContact O-N 3.2Å; V122-C125 WeakPolarHBondContact CA-O 3.43Å; C125-I128 HydrophobicContact CB-CD1 3.75Å; C125-I128 HydrophobicContact CB-CG1 4.1Å; C125-I128 HydrophobicContact CB-CG2 4.06Å |
| 126 | E | 88.9 | Confident | 94.8 | Very high | 154 Ų | 154 | 47.1 Ų | 47.1 | 72% | 0.72 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 140.1 | 174.9 | -63.1 | -177.1 | -176.2 | 0 | 0 | 110.6 | I128 | E126-I128 VanDerWaalsContact C-N 3.32Å; E126-I128 PolarHBondContact O-N 3.46Å |
| 127 | N | 88.9 | Confident | 94.9 | Very high | 160 Ų | 160 | 44.1 Ų | 44.1 | 86% | 0.856 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 26.3 | 168.3 | -55.5 | -45.5 | 0 | 0 | 0 | 117.1 | ||
| 128 | I | 96.2 | Very high | 94.9 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 15% | 0.154 | 21% | 0.214 | C | C | . | . | trans | -82.5 | 147.4 | 171.4 | 63.1 | 167.6 | 0 | 0 | 0 | 111.6 | A96 A99 L121 C125 E126 I130 | A96-I128 HydrophobicContact CB-CD1 4.17Å; A96-I128 WeakPolarHBondContact O-CG2 3.46Å; A99-I128 HydrophobicContact CB-CD1 4.15Å; L121-I128 HydrophobicContact CD1-CD1 4.35Å; L121-I128 HydrophobicContact CD2-CD1 4.41Å; L121-I128 HydrophobicContact CG-CD1 4.44Å; C125-I128 HydrophobicContact CB-CD1 3.75Å; C125-I128 HydrophobicContact CB-CG1 4.1Å; C125-I128 HydrophobicContact CB-CG2 4.06Å; E126-I128 VanDerWaalsContact C-N 3.32Å; E126-I128 PolarHBondContact O-N 3.46Å; I128-I130 HydrophobicContact CD1-CG1 4.45Å; I128-I130 HydrophobicContact CG1-CD1 4.31Å; I128-I130 HydrophobicContact CG1-CG1 4.02Å; I128-I130 WeakPolarHBondContact O-CG1 3.26Å; I128-I130 PolarHBondContact O-N 3.36Å | ||
| 129 | P | 97.9 | Very high | 94.8 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 20% | 0.201 | 23% | 0.227 | C | C | . | . | trans | -64.8 | 128.2 | 171 | 26 | -34.8 | 0 | 0 | 0 | 111 | Q97 C98 A99 W176 L177 K180 L181 | Q97-P129 WeakPolarHBondContact O-CD 3.42Å; C98-P129 VanDerWaalsContact CA-O 3.3Å; C98-P129 WeakPolarHBondContact CA-O 3.33Å; C98-P129 HydrophobicContact CB-CG 4.01Å; A99-P129 PolarHBondContact N-O 3Å; P129-W176 HydrophobicContact CB-CH2 4.34Å; P129-W176 HydrophobicContact CB-CZ3 3.86Å; P129-L177 HydrophobicContact CB-CD2 3.86Å; P129-L177 HydrophobicContact CG-CD2 4.22Å; P129-L177 WeakPolarHBondContact O-CD2 3.46Å; P129-K180 HydrophobicContact CB-CB 3.95Å; P129-K180 HydrophobicContact CB-CG 4.45Å; P129-K180 HydrophobicContact CG-CB 4.36Å; P129-L181 HydrophobicContact CG-CD2 3.79Å; P129-L181 HydrophobicContact CG-CG 4.06Å | ||
| 130 | I | 98.5 | Very high | 94.7 | Very high | 7 Ų | 7 | 49.3 Ų | 49.3 | 4% | 0.036 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 134.5 | -178 | -56.4 | 162.4 | 0 | 0 | 0 | 109.4 | A99 I101 L121 V122 I128 L157 | A99-I130 HydrophobicContact CB-CG1 4.12Å; A99-I130 HydrophobicContact CB-CG2 4.33Å; A99-I130 WeakPolarHBondContact O-CA 3.24Å; I101-I130 HydrophobicContact CD1-CG2 3.89Å; I101-I130 HydrophobicContact CG1-CG2 3.84Å; L121-I130 HydrophobicContact CD2-CD1 3.63Å; L121-I130 HydrophobicContact CD2-CG1 3.94Å; L121-I130 HydrophobicContact CD2-CG2 4.49Å; V122-I130 HydrophobicContact CG1-CD1 4.08Å; I128-I130 HydrophobicContact CD1-CG1 4.45Å; I128-I130 HydrophobicContact CG1-CD1 4.31Å; I128-I130 HydrophobicContact CG1-CG1 4.02Å; I128-I130 WeakPolarHBondContact O-CG1 3.26Å; I128-I130 PolarHBondContact O-N 3.36Å; I130-L157 HydrophobicContact CB-CD2 4Å; I130-L157 HydrophobicContact CD1-CD2 4.49Å; I130-L157 HydrophobicContact CG2-CD1 4.31Å; I130-L157 HydrophobicContact CG2-CD2 4.48Å |
| 131 | V | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 132.1 | 171.3 | -177.5 | 0 | 0 | 0 | 0 | 109.7 | A99 I100 I101 Q158 Y160 P173 W176 L177 | A99-V131 PolarHBondContact O-N 3.45Å; I100-V131 CarbonylContact C-O 3.53Å; I100-V131 WeakPolarHBondContact CA-O 3.38Å; I100-V131 HydrophobicContact CG1-CB 4.43Å; I101-V131 PolarHBondContact N-O 3.27Å; V131-Q158 WeakPolarHBondContact CA-O 3.48Å; V131-Q158 HydrophobicContact CG2-CB 4.35Å; V131-Y160 HydrophobicContact CG1-CD2 3.75Å; V131-Y160 HydrophobicContact CG1-CE2 4.26Å; V131-P173 HydrophobicContact CB-CB 4.44Å; V131-P173 HydrophobicContact CG1-CB 4Å; V131-P173 HydrophobicContact CG1-CG 4.4Å; V131-W176 HydrophobicContact CG2-CD2 4.23Å; V131-W176 HydrophobicContact CG2-CE3 3.42Å; V131-W176 VanDerWaalsContact CG2-CE3 3.42Å; V131-W176 HydrophobicContact CG2-CZ3 3.85Å; V131-L177 HydrophobicContact CG2-CD1 4.27Å; V131-L177 HydrophobicContact CG2-CD2 3.83Å; V131-L177 HydrophobicContact CG2-CG 3.73Å |
| 132 | L | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 124.7 | 169 | -178.4 | 65.4 | 0 | 0 | 0 | 109.6 | I101 F103 Y111 V114 I149 H152 Q158 Y159 Y160 | I101-L132 HydrophobicContact CB-CD1 4.11Å; I101-L132 HydrophobicContact CG2-CD1 4.13Å; I101-L132 WeakPolarHBondContact O-CA 3.18Å; F103-L132 HydrophobicContact CD1-CD1 3.77Å; F103-L132 HydrophobicContact CD1-CG 4.22Å; F103-L132 HydrophobicContact CE1-CD1 3.96Å; F103-L132 HydrophobicContact CE1-CD2 4.13Å; F103-L132 HydrophobicContact CE1-CG 3.88Å; Y111-L132 HydrophobicContact CE2-CD2 4.35Å; V114-L132 HydrophobicContact CB-CD1 4.47Å; V114-L132 HydrophobicContact CG1-CD1 3.63Å; V114-L132 HydrophobicContact CG1-CD2 4.47Å; V114-L132 HydrophobicContact CG2-CD1 3.92Å; L132-I149 HydrophobicContact CD2-CG2 4.29Å; L132-H152 HydrophobicContact CD2-CB 4.09Å; L132-Q158 PolarHBondContact N-O 3.3Å; L132-Y159 HydrophobicContact CB-CD2 4.12Å; L132-Y159 HydrophobicContact CD2-CD2 3.94Å; L132-Y159 HydrophobicContact CD2-CE2 4.48Å; L132-Y159 HydrophobicContact CG-CD2 3.86Å; L132-Y159 HydrophobicContact CG-CE2 4.34Å; L132-Y159 VanDerWaalsContact O-CA 3.3Å; L132-Y159 WeakPolarHBondContact O-CA 3.32Å; L132-Y159 VanDerWaalsContact O-CD2 3.26Å; L132-Y159 WeakPolarHBondContact O-CD2 3.09Å; L132-Y160 PolarHBondContact O-N 3.25Å |
| 133 | C | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 122.1 | -179.3 | -69.4 | 0 | 0 | 0 | 0 | 111.4 | I100 I101 M102 F103 Y160 I162 P173 | I100-C133 HydrophobicContact CG2-CB 4.21Å; I101-C133 PolarHBondContact O-N 2.97Å; M102-C133 WeakPolarHBondContact CA-O 2.99Å; F103-C133 WeakPolarHBondContact CD1-O 3.47Å; F103-C133 PolarHBondContact N-O 2.88Å; C133-Y160 WeakPolarHBondContact CA-O 3.18Å; C133-I162 HydrophobicContact CB-CD1 3.76Å; C133-I162 HydrophobicContact CB-CG1 4.16Å; C133-P173 VanDerWaalsContact SG-CG 3.52Å |
| 134 | G | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 102.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | F103 Y160 I162 | F103-G134 VanDerWaalsContact CZ-CA 3.5Å; G134-Y160 PolarHBondContact N-O 3.49Å; G134-I162 PolarHBondContact O-N 3.21Å |
| 135 | N | 98.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 165.1 | -177.1 | -169.1 | 30.6 | 0 | 0 | 0 | 112.6 | T34 M102 F103 V105 I162 A164 | T34-N135 PolarHBondContact O-ND2 2.92Å; M102-N135 HydrophobicContact CG-CB 4.02Å; M102-N135 HydrophobicContact SD-CB 3.93Å; F103-N135 PolarHBondContact O-N 2.86Å; V105-N135 WeakPolarHBondContact CG2-O 3.35Å; V105-N135 PolarHBondContact N-O 3.1Å; N135-I162 CarbonylContact C-O 3.58Å; N135-I162 WeakPolarHBondContact CA-O 3.38Å; N135-I162 HydrophobicContact CB-CD1 4.2Å; N135-I162 HydrophobicContact CB-CG1 3.94Å; N135-I162 PolarHBondContact OD1-O 3.27Å; N135-A164 PolarHBondContact OD1-N 3.02Å; N135-A164 VanDerWaalsContact OD1-N 3.07Å |
| 136 | K | 96.8 | Very high | 95.5 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 23% | 0.226 | 24% | 0.24 | C | C | . | . | trans | 70.1 | 32.3 | 176.8 | -45.5 | -169.6 | -166.7 | 166.7 | 0 | 114.8 | G33 D104 D138 I139 I162 | G33-K136 WeakPolarHBondContact O-CE 3.18Å; G33-K136 PolarHBondContact O-NZ 3.25Å; D104-K136 VanDerWaalsContact OD2-CD 3.32Å; D104-K136 WeakPolarHBondContact OD2-CD 3.42Å; D104-K136 WeakPolarHBondContact OD2-CE 3.32Å; D104-K136 IonicContact OD2-NZ 2.66Å; D104-K136 PolarHBondContact OD2-NZ 3.49Å; K136-D138 WeakPolarHBondContact CA-OD1 3.35Å; K136-D138 PolarHBondContact O-N 3.01Å; K136-D138 VanDerWaalsContact O-N 3.15Å; K136-I139 HydrophobicContact CB-CD1 4.01Å; K136-I139 HydrophobicContact CB-CG1 4.44Å; K136-I139 HydrophobicContact CD-CD1 4.2Å; K136-I139 PolarHBondContact O-N 3.46Å; K136-I162 PolarHBondContact N-O 2.84Å | ||
| 137 | V | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.5 | 176.8 | -57 | 0 | 0 | 0 | 0 | 113.8 | V105 I139 D161 I162 Y168 M202 Y210 | V105-V137 HydrophobicContact CG1-CG1 4.01Å; V105-V137 HydrophobicContact CG2-CG1 4.11Å; V137-I139 PolarHBondContact O-N 3.05Å; V137-D161 HydrophobicContact CG1-CB 3.84Å; V137-I162 WeakPolarHBondContact CG2-O 3.49Å; V137-I162 PolarHBondContact N-O 2.75Å; V137-Y168 HydrophobicContact CG2-CD1 3.69Å; V137-Y168 HydrophobicContact CG2-CE1 4.2Å; V137-M202 HydrophobicContact CB-CE 4.43Å; V137-M202 HydrophobicContact CG2-CE 3.92Å; V137-M202 HydrophobicContact CG2-SD 4.26Å; V137-Y210 HydrophobicContact CB-CD2 4.25Å; V137-Y210 HydrophobicContact CB-CE2 4.07Å; V137-Y210 WeakPolarHBondContact O-CE2 3.19Å |
| 138 | D | 94.1 | Very high | 95.8 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -18.5 | 170.2 | 56.8 | -72.1 | 0 | 0 | 0 | 113.1 | K136 S163 K165 M202 | K136-D138 WeakPolarHBondContact CA-OD1 3.35Å; K136-D138 PolarHBondContact O-N 3.01Å; K136-D138 VanDerWaalsContact O-N 3.15Å; D138-S163 VanDerWaalsContact CG-OG 3.24Å; D138-S163 VanDerWaalsContact OD1-CB 3.32Å; D138-S163 WeakPolarHBondContact OD1-CB 3.36Å; D138-S163 PolarHBondContact OD1-OG 3.44Å; D138-K165 WeakPolarHBondContact OD2-CD 3.48Å; D138-M202 HydrophobicContact CB-SD 4.34Å |
| 139 | I | 93.8 | Very high | 95.7 | Very high | 68 Ų | 68 | 44.1 Ų | 44.1 | 35% | 0.349 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -84.4 | 120.7 | 177.1 | -58.6 | 176.1 | 0 | 0 | 0 | 109.6 | T106 K136 V137 D141 | T106-I139 HydrophobicContact CG2-CB 3.7Å; T106-I139 HydrophobicContact CG2-CD1 3.79Å; T106-I139 HydrophobicContact CG2-CG1 4.3Å; T106-I139 HydrophobicContact CG2-CG2 3.71Å; K136-I139 HydrophobicContact CB-CD1 4.01Å; K136-I139 HydrophobicContact CB-CG1 4.44Å; K136-I139 HydrophobicContact CD-CD1 4.2Å; K136-I139 PolarHBondContact O-N 3.46Å; V137-I139 PolarHBondContact O-N 3.05Å; I139-D141 VanDerWaalsContact C-N 3.3Å; I139-D141 PolarHBondContact O-N 3.23Å |
| 140 | K | 90.9 | Very high | 95.6 | Very high | 174 Ų | 174 | 43.9 Ų | 43.9 | 76% | 0.757 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -61.3 | -34.5 | -177.9 | -67.4 | -173.6 | 177.6 | -175.6 | 0 | 113.6 | R142 | K140-R142 PolarHBondContact O-N 3.42Š|
| 141 | D | 93.7 | Very high | 95.5 | Very high | 96 Ų | 96 | 44.5 Ų | 44.5 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | trans | -80.1 | 60 | -179.8 | -169.7 | 23 | 0 | 0 | 0 | 112.3 | I139 K143 | I139-D141 VanDerWaalsContact C-N 3.3Å; I139-D141 PolarHBondContact O-N 3.23Å; D141-K143 VanDerWaalsContact CG-CE 3.49Å; D141-K143 PolarHBondContact O-N 2.76Å; D141-K143 WeakPolarHBondContact OD1-CE 3.5Å; D141-K143 IonicContact OD1-NZ 2.84Å; D141-K143 PolarHBondContact OD1-NZ 3.18Å; D141-K143 WeakPolarHBondContact OD2-CE 3.41Å; D141-K143 IonicContact OD2-NZ 2.69Å; D141-K143 PolarHBondContact OD2-NZ 3.48Å | ||
| 142 | R | 95.8 | Very high | 95.3 | Very high | 18 Ų | 18 | 46 Ų | 46 | 7% | 0.068 | 22% | 0.218 | C | C | . | . | trans | -68.3 | 118.3 | 178.3 | -178.9 | 174.6 | -176.5 | 158 | 10.4 | 110.5 | V105 K140 V144 D161 Y210 | V105-R142 HydrophobicContact CB-CG 4.08Å; V105-R142 HydrophobicContact CG2-CG 4.08Å; K140-R142 PolarHBondContact O-N 3.42Å; R142-V144 WeakPolarHBondContact CG-O 3.46Å; R142-V144 PolarHBondContact NE-O 2.86Å; R142-D161 IonicContact CZ-OD1 2.68Å; R142-D161 IonicContact CZ-OD2 3.64Å; R142-D161 IonicContact NH1-OD1 3.22Å; R142-D161 IonicContact NH1-OD2 3.69Å; R142-D161 PolarHBondContact NH1-OD2 2.78Å; R142-D161 IonicContact NH2-OD1 2.69Å; R142-D161 PolarHBondContact NH2-OD1 2.95Å; R142-D161 IonicContact NH2-OD2 2.83Å; R142-D161 PolarHBondContact NH2-OD2 3.29Å; R142-Y210 VanDerWaalsContact NH1-CD1 3.25Å; R142-Y210 VanDerWaalsContact NH1-CG 3.3Å | ||
| 143 | K | 96.8 | Very high | 95 | Very high | 82 Ų | 82 | 49.8 Ų | 49.8 | 36% | 0.357 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -93.5 | -27.7 | -179.6 | -57.9 | -56.4 | -173.4 | -167.4 | 0 | 114 | V105 T106 R108 D141 | V105-K143 PolarHBondContact O-N 2.91Å; T106-K143 WeakPolarHBondContact O-CG 3.13Å; R108-K143 HydrophobicContact CG-CB 3.93Å; R108-K143 PolarHBondContact NE-O 3.19Å; D141-K143 VanDerWaalsContact CG-CE 3.49Å; D141-K143 PolarHBondContact O-N 2.76Å; D141-K143 WeakPolarHBondContact OD1-CE 3.5Å; D141-K143 IonicContact OD1-NZ 2.84Å; D141-K143 PolarHBondContact OD1-NZ 3.18Å; D141-K143 WeakPolarHBondContact OD2-CE 3.41Å; D141-K143 IonicContact OD2-NZ 2.69Å; D141-K143 PolarHBondContact OD2-NZ 3.48Å |
| 144 | V | 96.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -107.8 | 103.3 | 177.6 | -173.6 | 0 | 0 | 0 | 0 | 108.4 | F103 V105 R108 Y111 R142 I149 | F103-V144 HydrophobicContact CE2-CB 4.24Å; F103-V144 HydrophobicContact CE2-CG1 3.9Å; V105-V144 PolarHBondContact O-N 3.44Å; R108-V144 HydrophobicContact CB-CG2 4.45Å; R108-V144 HydrophobicContact CG-CG2 4.13Å; Y111-V144 HydrophobicContact CD1-CG1 4.02Å; Y111-V144 HydrophobicContact CD2-CG1 4.37Å; Y111-V144 HydrophobicContact CG-CG1 3.87Å; R142-V144 WeakPolarHBondContact CG-O 3.46Å; R142-V144 PolarHBondContact NE-O 2.86Å; V144-I149 HydrophobicContact CG1-CD1 4.02Å; V144-I149 HydrophobicContact CG1-CG1 3.65Å |
| 145 | K | 94.1 | Very high | 94.5 | Very high | 133 Ų | 133 | 58 Ų | 58 | 58% | 0.578 | 27% | 0.269 | S | S | * | . | trans | -89.4 | 159.9 | -174.7 | -60.5 | -172.4 | 178 | -177.3 | 0 | 111.2 | K147 S148 I149 | K145-K147 PolarHBondContact O-N 3.15Å; K145-K147 VanDerWaalsContact O-N 3.14Å; K145-S148 PolarHBondContact N-OG 3.08Å; K145-S148 VanDerWaalsContact N-OG 3.12Å; K145-S148 PolarHBondContact O-N 3.3Å; K145-S148 PolarHBondContact O-OG 2.91Å; K145-I149 WeakPolarHBondContact O-CG1 3.34Å; K145-I149 PolarHBondContact O-N 3.27Å | ||
| 146 | A | 92.3 | Very high | 94.3 | Very high | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.025 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -46.2 | -46.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S148 I149 E213 L214 A217 | A146-S148 PolarHBondContact O-N 3.07Å; A146-I149 PolarHBondContact O-N 2.97Å; A146-E213 HydrophobicContact CB-CB 3.87Å; A146-L214 HydrophobicContact CB-CD2 3.77Å; A146-L214 HydrophobicContact CB-CG 4.1Å; A146-A217 HydrophobicContact CB-CB 4.23Å |
| 147 | K | 91.1 | Very high | 94.3 | Very high | 169 Ų | 169 | 63.6 Ų | 63.6 | 74% | 0.735 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -58.7 | -29.1 | 178.7 | -63.2 | -173.5 | 178.6 | -174.4 | 0 | 114.8 | K145 | K145-K147 PolarHBondContact O-N 3.15Å; K145-K147 VanDerWaalsContact O-N 3.14Å |
| 148 | S | 93.1 | Very high | 94.3 | Very high | 54 Ų | 54 | 66.4 Ų | 66.4 | 38% | 0.378 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -84.3 | -12.7 | 177.9 | 55.9 | 0 | 0 | 0 | 0 | 113.3 | Y111 K145 A146 V150 | Y111-S148 VanDerWaalsContact CE1-O 3.24Å; Y111-S148 WeakPolarHBondContact CE1-O 3.31Å; Y111-S148 PolarHBondContact OH-O 3.3Å; K145-S148 PolarHBondContact N-OG 3.08Å; K145-S148 VanDerWaalsContact N-OG 3.12Å; K145-S148 PolarHBondContact O-N 3.3Å; K145-S148 PolarHBondContact O-OG 2.91Å; A146-S148 PolarHBondContact O-N 3.07Å; S148-V150 PolarHBondContact O-N 2.84Å; S148-V150 VanDerWaalsContact O-N 3.1Å |
| 149 | I | 95.4 | Very high | 94.5 | Very high | 3 Ų | 3 | 65.6 Ų | 65.6 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | trans | -91.3 | 73.6 | -173.1 | -57.7 | 162.6 | 0 | 0 | 0 | 109.1 | F103 Y111 L132 V144 K145 A146 H152 Y159 | F103-I149 HydrophobicContact CE2-CD1 4.42Å; F103-I149 HydrophobicContact CZ-CD1 3.9Å; F103-I149 HydrophobicContact CZ-CG1 4.14Å; F103-I149 HydrophobicContact CZ-CG2 4.37Å; Y111-I149 HydrophobicContact CE2-CB 4.41Å; Y111-I149 HydrophobicContact CE2-CG1 4.31Å; Y111-I149 HydrophobicContact CE2-CG2 3.97Å; Y111-I149 VanDerWaalsContact OH-CA 3.31Å; Y111-I149 WeakPolarHBondContact OH-CA 3.32Å; L132-I149 HydrophobicContact CD2-CG2 4.29Å; V144-I149 HydrophobicContact CG1-CD1 4.02Å; V144-I149 HydrophobicContact CG1-CG1 3.65Å; K145-I149 WeakPolarHBondContact O-CG1 3.34Å; K145-I149 PolarHBondContact O-N 3.27Å; A146-I149 PolarHBondContact O-N 2.97Å; I149-H152 PolarHBondContact O-CE1 2.95Å; I149-H152 PolarHBondContact O-ND1 3.43Å; I149-Y159 HydrophobicContact CD1-CE1 4.32Å; I149-Y159 HydrophobicContact CD1-CE2 4.34Å; I149-Y159 WeakPolarHBondContact CD1-OH 3.38Å; I149-Y159 HydrophobicContact CG2-CD2 3.82Å; I149-Y159 HydrophobicContact CG2-CE1 4.44Å; I149-Y159 HydrophobicContact CG2-CE2 3.72Å; I149-Y159 HydrophobicContact CG2-CG 4.21Å | ||
| 150 | V | 95.8 | Very high | 94.7 | Very high | 25 Ų | 25 | 64.3 Ų | 64.3 | 15% | 0.152 | 30% | 0.3 | C | S | . | . | trans | -100.9 | -15.6 | -176.4 | -63.2 | 0 | 0 | 0 | 0 | 114.1 | Y111 S148 H152 R153 K154 L222 | Y111-V150 PolarHBondContact OH-N 2.95Å; S148-V150 PolarHBondContact O-N 2.84Å; S148-V150 VanDerWaalsContact O-N 3.1Å; V150-H152 VanDerWaalsContact C-N 3.28Å; V150-H152 PolarHBondContact O-N 2.85Å; V150-R153 WeakPolarHBondContact O-CB 3.33Å; V150-R153 PolarHBondContact O-N 2.73Å; V150-K154 PolarHBondContact O-N 2.71Å; V150-L222 HydrophobicContact CB-CD2 3.87Å; V150-L222 HydrophobicContact CG1-CD2 4.09Å | ||
| 151 | F | 95.9 | Very high | 95.1 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 9% | 0.088 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58.5 | -39.4 | -172 | -176.5 | -98.9 | 0 | 0 | 0 | 113 | Y111 V114 P115 H118 R153 K154 K155 L157 | Y111-F151 HydrophobicContact CE2-CB 4.44Å; Y111-F151 WeakPolarHBondContact OH-CB 3.39Å; Y111-F151 PolarHBondContact OH-N 3.28Å; Y111-F151 VanDerWaalsContact OH-N 3.09Å; V114-F151 HydrophobicContact CG1-CD1 3.5Å; V114-F151 VanDerWaalsContact CG1-CD1 3.5Å; V114-F151 HydrophobicContact CG1-CE1 3.74Å; V114-F151 HydrophobicContact CG1-CG 4.11Å; P115-F151 HydrophobicContact CB-CD2 4.35Å; P115-F151 HydrophobicContact CB-CE2 3.72Å; P115-F151 HydrophobicContact CB-CZ 4.24Å; P115-F151 HydrophobicContact CG-CD2 3.82Å; P115-F151 HydrophobicContact CG-CE2 3.7Å; P115-F151 HydrophobicContact CG-CZ 4.45Å; H118-F151 HydrophobicContact CB-CE1 3.74Å; H118-F151 HydrophobicContact CB-CZ 3.61Å; H118-F151 AromaticContact CD2-CE1 3.92Å; H118-F151 AromaticContact CG-CE1 3.78Å; H118-F151 AromaticContact CG-CZ 3.61Å; H118-F151 AromaticContact ND1-CZ 3.97Å; F151-R153 VanDerWaalsContact C-N 3.26Å; F151-R153 PolarHBondContact O-N 2.96Å; F151-K154 PolarHBondContact O-N 2.96Å; F151-K155 HydrophobicContact CD1-CG 4.5Å; F151-K155 HydrophobicContact CD2-CG 4.5Å; F151-K155 HydrophobicContact CE1-CB 4.38Å; F151-K155 HydrophobicContact CE1-CG 3.9Å; F151-K155 HydrophobicContact CE2-CG 3.9Å; F151-K155 HydrophobicContact CZ-CG 3.57Å; F151-K155 PolarHBondContact O-N 3.3Å; F151-L157 HydrophobicContact CD1-CD1 4.22Å; F151-L157 HydrophobicContact CE1-CD1 3.98Å |
| 152 | H | 94.8 | Very high | 95.3 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 15% | 0.148 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.8 | -36.3 | 178.6 | 73.1 | -81.9 | 0 | 0 | 0 | 112.3 | L132 I149 V150 K155 N156 L157 | L132-H152 HydrophobicContact CD2-CB 4.09Å; I149-H152 PolarHBondContact O-CE1 2.95Å; I149-H152 PolarHBondContact O-ND1 3.43Å; V150-H152 VanDerWaalsContact C-N 3.28Å; V150-H152 PolarHBondContact O-N 2.85Å; H152-K155 CarbonylContact O-C 3.53Å; H152-K155 PolarHBondContact O-N 3.31Å; H152-N156 CarbonylContact O-C 3.59Å; H152-N156 WeakPolarHBondContact O-CA 3.31Å; H152-N156 PolarHBondContact O-N 3.5Å; H152-L157 HydrophobicContact CB-CB 4.04Å; H152-L157 PolarHBondContact O-N 3.25Å |
| 153 | R | 93.1 | Very high | 95.3 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 30% | 0.298 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.9 | -42.7 | 176.1 | -63.2 | 175 | 62.6 | -165.5 | -0 | 111.5 | V150 F151 K155 N156 A217 T220 L222 | V150-R153 WeakPolarHBondContact O-CB 3.33Å; V150-R153 PolarHBondContact O-N 2.73Å; F151-R153 VanDerWaalsContact C-N 3.26Å; F151-R153 PolarHBondContact O-N 2.96Å; R153-K155 PolarHBondContact O-N 2.81Å; R153-N156 PolarHBondContact O-N 3.08Å; R153-A217 PolarHBondContact NH1-O 3.24Å; R153-A217 VanDerWaalsContact NH1-O 3.1Å; R153-T220 PolarHBondContact NH1-O 2.78Å; R153-T220 PolarHBondContact NH2-O 2.86Å; R153-L222 HydrophobicContact CB-CD1 4.15Å; R153-L222 HydrophobicContact CB-CD2 3.87Å; R153-L222 HydrophobicContact CG-CD2 4.47Å |
| 154 | K | 92.5 | Very high | 95.1 | Very high | 62 Ų | 62 | 46.9 Ų | 46.9 | 27% | 0.27 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.6 | -29.1 | 176.9 | -64 | -170.9 | 178.7 | -168.1 | 0 | 112.7 | V150 F151 L222 D228 | V150-K154 PolarHBondContact O-N 2.71Å; F151-K154 PolarHBondContact O-N 2.96Å; K154-L222 HydrophobicContact CG-CD1 4.37Å; K154-D228 IonicContact NZ-OD2 2.72Å; K154-D228 PolarHBondContact NZ-OD2 3.07Å |
| 155 | K | 94.1 | Very high | 94.8 | Very high | 112 Ų | 112 | 49.8 Ų | 49.8 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | 8.3 | -177.8 | -61.8 | -57.1 | -179.1 | -169 | 0 | 114.8 | F151 H152 R153 L157 | F151-K155 HydrophobicContact CD1-CG 4.5Å; F151-K155 HydrophobicContact CD2-CG 4.5Å; F151-K155 HydrophobicContact CE1-CB 4.38Å; F151-K155 HydrophobicContact CE1-CG 3.9Å; F151-K155 HydrophobicContact CE2-CG 3.9Å; F151-K155 HydrophobicContact CZ-CG 3.57Å; F151-K155 PolarHBondContact O-N 3.3Å; H152-K155 CarbonylContact O-C 3.53Å; H152-K155 PolarHBondContact O-N 3.31Å; R153-K155 PolarHBondContact O-N 2.81Å; K155-L157 VanDerWaalsContact C-N 3.32Å; K155-L157 HydrophobicContact CB-CD1 4.15Å; K155-L157 HydrophobicContact CB-CD2 4.16Å; K155-L157 HydrophobicContact CB-CG 3.83Å; K155-L157 WeakPolarHBondContact O-CD2 3.38Å; K155-L157 PolarHBondContact O-N 2.68Å |
| 156 | N | 93.1 | Very high | 94.6 | Very high | 152 Ų | 152 | 44 Ų | 44 | 81% | 0.813 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 43.9 | -177.3 | -166.4 | 31.3 | 0 | 0 | 0 | 114.2 | H152 R153 | H152-N156 CarbonylContact O-C 3.59Å; H152-N156 WeakPolarHBondContact O-CA 3.31Å; H152-N156 PolarHBondContact O-N 3.5Å; R153-N156 PolarHBondContact O-N 3.08Å |
| 157 | L | 96.6 | Very high | 94.5 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 11% | 0.105 | 22% | 0.216 | C | C | . | . | trans | -97.7 | 152.9 | 176.7 | -45.3 | -176.9 | 0 | 0 | 0 | 110.3 | I130 F151 H152 K155 | I130-L157 HydrophobicContact CB-CD2 4Å; I130-L157 HydrophobicContact CD1-CD2 4.49Å; I130-L157 HydrophobicContact CG2-CD1 4.31Å; I130-L157 HydrophobicContact CG2-CD2 4.48Å; F151-L157 HydrophobicContact CD1-CD1 4.22Å; F151-L157 HydrophobicContact CE1-CD1 3.98Å; H152-L157 HydrophobicContact CB-CB 4.04Å; H152-L157 PolarHBondContact O-N 3.25Å; K155-L157 VanDerWaalsContact C-N 3.32Å; K155-L157 HydrophobicContact CB-CD1 4.15Å; K155-L157 HydrophobicContact CB-CD2 4.16Å; K155-L157 HydrophobicContact CB-CG 3.83Å; K155-L157 WeakPolarHBondContact O-CD2 3.38Å; K155-L157 PolarHBondContact O-N 2.68Å | ||
| 158 | Q | 97.6 | Very high | 94.6 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 28% | 0.276 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 140.1 | 167.1 | -177.6 | 61.4 | 52.5 | 0 | 0 | 110.3 | V131 L132 Y160 W176 | V131-Q158 WeakPolarHBondContact CA-O 3.48Å; V131-Q158 HydrophobicContact CG2-CB 4.35Å; L132-Q158 PolarHBondContact N-O 3.3Å; Q158-Y160 HydrophobicContact CG-CD2 4.01Å; Q158-Y160 HydrophobicContact CG-CE1 4.48Å; Q158-Y160 HydrophobicContact CG-CE2 3.33Å; Q158-W176 HydrophobicContact CB-CD2 3.69Å; Q158-W176 VanDerWaalsContact CB-CE2 3.42Å; Q158-W176 HydrophobicContact CB-CE3 4.09Å; Q158-W176 HydrophobicContact CB-CG 4.15Å; Q158-W176 HydrophobicContact CB-CH2 4.02Å; Q158-W176 HydrophobicContact CB-CZ2 3.61Å; Q158-W176 HydrophobicContact CB-CZ3 4.23Å; Q158-W176 HydrophobicContact CG-CD2 3.94Å; Q158-W176 HydrophobicContact CG-CG 3.83Å; Q158-W176 VanDerWaalsContact OE1-NE1 3.13Å |
| 159 | Y | 98.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 37.8 Ų | 37.8 | 5% | 0.047 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 142.1 | 173.3 | 178.4 | -102.7 | 0 | 0 | 0 | 112 | F103 L132 I149 D161 L214 | F103-Y159 AromaticContact CE1-CE2 3.69Å; F103-Y159 HydrophobicContact CE1-CE2 3.69Å; F103-Y159 AromaticContact CZ-CE2 3.75Å; F103-Y159 HydrophobicContact CZ-CE2 3.75Å; L132-Y159 HydrophobicContact CB-CD2 4.12Å; L132-Y159 HydrophobicContact CD2-CD2 3.94Å; L132-Y159 HydrophobicContact CD2-CE2 4.48Å; L132-Y159 HydrophobicContact CG-CD2 3.86Å; L132-Y159 HydrophobicContact CG-CE2 4.34Å; L132-Y159 VanDerWaalsContact O-CA 3.3Å; L132-Y159 WeakPolarHBondContact O-CA 3.32Å; L132-Y159 VanDerWaalsContact O-CD2 3.26Å; L132-Y159 WeakPolarHBondContact O-CD2 3.09Å; I149-Y159 HydrophobicContact CD1-CE1 4.32Å; I149-Y159 HydrophobicContact CD1-CE2 4.34Å; I149-Y159 WeakPolarHBondContact CD1-OH 3.38Å; I149-Y159 HydrophobicContact CG2-CD2 3.82Å; I149-Y159 HydrophobicContact CG2-CE1 4.44Å; I149-Y159 HydrophobicContact CG2-CE2 3.72Å; I149-Y159 HydrophobicContact CG2-CG 4.21Å; Y159-D161 WeakPolarHBondContact CE1-OD1 3Å; Y159-D161 VanDerWaalsContact CZ-OD1 3.3Å; Y159-D161 PolarHBondContact OH-OD1 2.87Å; Y159-L214 HydrophobicContact CD1-CD1 4.33Å; Y159-L214 HydrophobicContact CD1-CD2 3.7Å; Y159-L214 HydrophobicContact CE1-CD1 3.95Å; Y159-L214 HydrophobicContact CE1-CD2 3.47Å; Y159-L214 VanDerWaalsContact CE1-CD2 3.47Å; Y159-L214 HydrophobicContact CE1-CG 4.37Å |
| 160 | Y | 98.4 | Very high | 94.4 | Very high | 42 Ų | 42 | 37.9 Ų | 37.9 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 134.3 | 166.1 | -66.1 | -66.4 | 0 | 0 | 0 | 112 | V131 L132 C133 G134 Q158 K172 P173 W176 | V131-Y160 HydrophobicContact CG1-CD2 3.75Å; V131-Y160 HydrophobicContact CG1-CE2 4.26Å; L132-Y160 PolarHBondContact O-N 3.25Å; C133-Y160 WeakPolarHBondContact CA-O 3.18Å; G134-Y160 PolarHBondContact N-O 3.49Å; Q158-Y160 HydrophobicContact CG-CD2 4.01Å; Q158-Y160 HydrophobicContact CG-CE1 4.48Å; Q158-Y160 HydrophobicContact CG-CE2 3.33Å; Y160-K172 HydrophobicContact CD1-CB 3.94Å; Y160-K172 HydrophobicContact CD1-CD 3.84Å; Y160-K172 HydrophobicContact CD2-CB 4.07Å; Y160-K172 HydrophobicContact CE1-CB 3.9Å; Y160-K172 HydrophobicContact CE1-CD 3.8Å; Y160-K172 HydrophobicContact CE1-CG 4.43Å; Y160-K172 HydrophobicContact CE2-CB 4Å; Y160-K172 HydrophobicContact CG-CB 4.04Å; Y160-P173 HydrophobicContact CD2-CG 4.14Å; Y160-W176 HydrophobicContact CE2-CB 4.04Å; Y160-W176 HydrophobicContact CE2-CG 4.49Å |
| 161 | D | 98.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.011 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.5 | 157.1 | -90.4 | -2.2 | 0 | 0 | 0 | 108.3 | V137 R142 Y159 Y168 N169 L214 | V137-D161 HydrophobicContact CG1-CB 3.84Å; R142-D161 IonicContact CZ-OD1 2.68Å; R142-D161 IonicContact CZ-OD2 3.64Å; R142-D161 IonicContact NH1-OD1 3.22Å; R142-D161 IonicContact NH1-OD2 3.69Å; R142-D161 PolarHBondContact NH1-OD2 2.78Å; R142-D161 IonicContact NH2-OD1 2.69Å; R142-D161 PolarHBondContact NH2-OD1 2.95Å; R142-D161 IonicContact NH2-OD2 2.83Å; R142-D161 PolarHBondContact NH2-OD2 3.29Å; Y159-D161 WeakPolarHBondContact CE1-OD1 3Å; Y159-D161 VanDerWaalsContact CZ-OD1 3.3Å; Y159-D161 PolarHBondContact OH-OD1 2.87Å; D161-Y168 HydrophobicContact CB-CE1 4.29Å; D161-N169 WeakPolarHBondContact O-CB 3.18Å; D161-N169 PolarHBondContact O-ND2 3.16Å; D161-L214 HydrophobicContact CB-CD1 4.21Å |
| 162 | I | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -132.4 | 157.9 | 178.3 | 68 | 168.3 | 0 | 0 | 0 | 111.3 | F39 M102 C133 G134 N135 K136 V137 Y168 N169 P173 | F39-I162 HydrophobicContact CD2-CD1 3.75Å; F39-I162 HydrophobicContact CE2-CD1 3.69Å; F39-I162 HydrophobicContact CZ-CD1 4.46Å; M102-I162 HydrophobicContact CE-CD1 3.83Å; C133-I162 HydrophobicContact CB-CD1 3.76Å; C133-I162 HydrophobicContact CB-CG1 4.16Å; G134-I162 PolarHBondContact O-N 3.21Å; N135-I162 CarbonylContact C-O 3.58Å; N135-I162 WeakPolarHBondContact CA-O 3.38Å; N135-I162 HydrophobicContact CB-CD1 4.2Å; N135-I162 HydrophobicContact CB-CG1 3.94Å; N135-I162 PolarHBondContact OD1-O 3.27Å; K136-I162 PolarHBondContact N-O 2.84Å; V137-I162 WeakPolarHBondContact CG2-O 3.49Å; V137-I162 PolarHBondContact N-O 2.75Å; I162-Y168 WeakPolarHBondContact CA-O 3.37Å; I162-N169 HydrophobicContact CG2-CB 4.12Å; I162-P173 HydrophobicContact CG2-CG 4.26Å | ||
| 163 | S | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -137.1 | 108.9 | 164.8 | 165.9 | 0 | 0 | 0 | 0 | 109.8 | D138 K165 S166 N167 Y168 | D138-S163 VanDerWaalsContact CG-OG 3.24Å; D138-S163 VanDerWaalsContact OD1-CB 3.32Å; D138-S163 WeakPolarHBondContact OD1-CB 3.36Å; D138-S163 PolarHBondContact OD1-OG 3.44Å; S163-K165 PolarHBondContact O-N 3.49Å; S163-K165 VanDerWaalsContact O-N 3.16Å; S163-K165 PolarHBondContact OG-N 2.97Å; S163-S166 WeakPolarHBondContact CB-OG 3.36Å; S163-S166 PolarHBondContact O-N 3.05Å; S163-S166 PolarHBondContact OG-N 3.08Å; S163-S166 VanDerWaalsContact OG-N 3.11Å; S163-S166 PolarHBondContact OG-OG 3.08Å; S163-N167 WeakPolarHBondContact O-CA 3.36Å; S163-N167 PolarHBondContact O-N 2.97Å; S163-Y168 PolarHBondContact N-O 3.18Å; S163-Y168 PolarHBondContact O-N 3.34Å |
| 164 | A | 92.3 | Very high | 94.5 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.017 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -19.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T38 F39 R42 N135 F170 | T38-A164 HydrophobicContact CG2-CB 4.29Å; F39-A164 HydrophobicContact CB-CB 4.28Å; R42-A164 WeakPolarHBondContact CD-O 3.21Å; R42-A164 PolarHBondContact NE-O 3.09Å; R42-A164 VanDerWaalsContact NE-O 3.1Å; R42-A164 PolarHBondContact NH1-O 3.18Å; N135-A164 PolarHBondContact OD1-N 3.02Å; N135-A164 VanDerWaalsContact OD1-N 3.07Å; A164-F170 HydrophobicContact CB-CE2 4.25Å |
| 165 | K | 90.6 | Very high | 94.8 | Very high | 65 Ų | 65 | 35 Ų | 35 | 28% | 0.283 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -31.7 | 178.9 | -163.6 | 179.4 | -170.1 | -170.8 | 0 | 113.3 | R42 F48 D138 S163 E199 V200 | R42-K165 VanDerWaalsContact NH1-C 3.28Å; R42-K165 PolarHBondContact NH1-O 3.12Å; R42-K165 VanDerWaalsContact NH2-C 3.29Å; R42-K165 PolarHBondContact NH2-O 2.89Å; F48-K165 HydrophobicContact CD2-CB 4.35Å; F48-K165 HydrophobicContact CD2-CG 4.27Å; F48-K165 HydrophobicContact CE1-CG 4.37Å; F48-K165 HydrophobicContact CE2-CB 3.75Å; F48-K165 HydrophobicContact CE2-CG 3.82Å; F48-K165 HydrophobicContact CZ-CB 4.17Å; F48-K165 HydrophobicContact CZ-CD 4.23Å; F48-K165 HydrophobicContact CZ-CG 3.88Å; D138-K165 WeakPolarHBondContact OD2-CD 3.48Å; S163-K165 PolarHBondContact O-N 3.49Å; S163-K165 VanDerWaalsContact O-N 3.16Å; S163-K165 PolarHBondContact OG-N 2.97Å; K165-E199 HydrophobicContact CG-CB 4.22Å; K165-E199 PolarHBondContact O-N 2.85Å; K165-V200 HydrophobicContact CD-CB 4.2Å; K165-V200 HydrophobicContact CD-CG2 3.78Å; K165-V200 VanDerWaalsContact CE-CG2 3.42Å; K165-V200 HydrophobicContact CG-CB 4.31Å; K165-V200 HydrophobicContact CG-CG2 4.27Å |
| 166 | S | 90.1 | Very high | 95 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 8% | 0.077 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -1.7 | -176.1 | 63.2 | 0 | 0 | 0 | 0 | 114.8 | S163 Y168 P198 V200 | S163-S166 WeakPolarHBondContact CB-OG 3.36Å; S163-S166 PolarHBondContact O-N 3.05Å; S163-S166 PolarHBondContact OG-N 3.08Å; S163-S166 VanDerWaalsContact OG-N 3.11Å; S163-S166 PolarHBondContact OG-OG 3.08Å; S166-Y168 PolarHBondContact O-N 3.41Å; S166-Y168 WeakPolarHBondContact OG-CB 3.34Å; S166-Y168 PolarHBondContact OG-N 3.38Å; S166-P198 WeakPolarHBondContact O-CB 3.31Å; S166-V200 WeakPolarHBondContact CA-O 3.22Å; S166-V200 WeakPolarHBondContact CB-O 3.22Å |
| 167 | N | 90.3 | Very high | 95.2 | Very high | 33 Ų | 33 | 24.4 Ų | 24.4 | 18% | 0.176 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 13.4 | -168.5 | -57 | -33.3 | 0 | 0 | 0 | 114 | R42 S163 N169 F170 L195 A196 | R42-N167 PolarHBondContact NE-OD1 3.06Å; R42-N167 PolarHBondContact NH2-ND2 3.33Å; R42-N167 PolarHBondContact NH2-OD1 3.3Å; S163-N167 WeakPolarHBondContact O-CA 3.36Å; S163-N167 PolarHBondContact O-N 2.97Å; N167-N169 PolarHBondContact O-N 2.85Å; N167-F170 HydrophobicContact CB-CB 4.41Å; N167-F170 WeakPolarHBondContact O-CB 3.49Å; N167-F170 PolarHBondContact O-N 3.27Å; N167-L195 HydrophobicContact CB-CD1 4.32Å; N167-A196 PolarHBondContact ND2-O 3.27Å |
| 168 | Y | 93.3 | Very high | 95.2 | Very high | 37 Ų | 37 | 23.5 Ų | 23.5 | 15% | 0.145 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -63.8 | 124.8 | 178.7 | -176.7 | -109.9 | 0 | 0 | 0 | 111.3 | V137 D161 I162 S163 S166 F170 M202 A207 | V137-Y168 HydrophobicContact CG2-CD1 3.69Å; V137-Y168 HydrophobicContact CG2-CE1 4.2Å; D161-Y168 HydrophobicContact CB-CE1 4.29Å; I162-Y168 WeakPolarHBondContact CA-O 3.37Å; S163-Y168 PolarHBondContact N-O 3.18Å; S163-Y168 PolarHBondContact O-N 3.34Å; S166-Y168 PolarHBondContact O-N 3.41Å; S166-Y168 WeakPolarHBondContact OG-CB 3.34Å; S166-Y168 PolarHBondContact OG-N 3.38Å; Y168-F170 PolarHBondContact O-N 2.91Å; Y168-F170 VanDerWaalsContact O-N 3.08Å; Y168-M202 HydrophobicContact CD2-CB 4.44Å; Y168-M202 HydrophobicContact CD2-CG 4.03Å; Y168-M202 HydrophobicContact CG-CG 4.1Å; Y168-A207 HydrophobicContact CD2-CB 4.41Å; Y168-A207 HydrophobicContact CE2-CB 3.67Å |
| 169 | N | 93.6 | Very high | 95.2 | Very high | 26 Ų | 26 | 24.3 Ų | 24.3 | 14% | 0.139 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 23.8 | -178.1 | -69.7 | -26.3 | 0 | 0 | 0 | 115 | D161 I162 N167 E171 K172 P173 | D161-N169 WeakPolarHBondContact O-CB 3.18Å; D161-N169 PolarHBondContact O-ND2 3.16Å; I162-N169 HydrophobicContact CG2-CB 4.12Å; N167-N169 PolarHBondContact O-N 2.85Å; N169-E171 VanDerWaalsContact C-N 3.3Å; N169-E171 PolarHBondContact O-N 3.07Å; N169-K172 HydrophobicContact CB-CB 4.47Å; N169-K172 HydrophobicContact CB-CD 3.91Å; N169-K172 HydrophobicContact CB-CG 4.18Å; N169-K172 PolarHBondContact O-N 2.97Å; N169-K172 VanDerWaalsContact OD1-CD 3.31Å; N169-K172 WeakPolarHBondContact OD1-CD 3.48Å; N169-K172 WeakPolarHBondContact OD1-CE 3.35Å; N169-K172 PolarHBondContact OD1-NZ 2.99Å; N169-P173 WeakPolarHBondContact O-CD 3.49Å |
| 170 | F | 89.3 | Confident | 95.2 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 2% | 0.022 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -36 | -167.3 | -163.6 | -121.2 | 0 | 0 | 0 | 113.9 | F39 R42 H43 A164 N167 Y168 L195 | F39-F170 AromaticContact CD2-CD2 3.59Å; F39-F170 HydrophobicContact CD2-CD2 3.59Å; F39-F170 AromaticContact CD2-CE2 3.28Å; F39-F170 HydrophobicContact CD2-CE2 3.28Å; F39-F170 HydrophobicContact CD2-CZ 4.22Å; F39-F170 AromaticContact CE2-CD2 3.54Å; F39-F170 HydrophobicContact CE2-CD2 3.54Å; F39-F170 AromaticContact CE2-CE2 3.67Å; F39-F170 HydrophobicContact CE2-CE2 3.67Å; F39-F170 HydrophobicContact CE2-CG 4.3Å; F39-F170 HydrophobicContact CG-CE2 4.08Å; F39-F170 WeakPolarHBondContact O-CZ 3.37Å; R42-F170 HydrophobicContact CB-CE1 4.4Å; R42-F170 HydrophobicContact CB-CE2 4.43Å; R42-F170 HydrophobicContact CB-CZ 3.66Å; R42-F170 HydrophobicContact CG-CE1 4.11Å; R42-F170 HydrophobicContact CG-CE2 4.43Å; R42-F170 HydrophobicContact CG-CZ 3.7Å; H43-F170 HydrophobicContact CB-CE1 4.37Å; H43-F170 AromaticContact CD2-CD1 3.9Å; H43-F170 AromaticContact CD2-CE1 3.57Å; H43-F170 AromaticContact CE1-CD1 3.18Å; H43-F170 WeakPolarHBondContact CE1-CD1 3.36Å; H43-F170 AromaticContact CE1-CD2 3.87Å; H43-F170 AromaticContact CE1-CE1 2.91Å; H43-F170 WeakPolarHBondContact CE1-CE1 3.48Å; H43-F170 AromaticContact CE1-CE2 3.62Å; H43-F170 AromaticContact CE1-CG 3.65Å; H43-F170 AromaticContact CE1-CZ 3.12Å; H43-F170 WeakPolarHBondContact CE1-CZ 3.44Å; H43-F170 AromaticContact CG-CE1 3.43Å; H43-F170 VanDerWaalsContact CG-CE1 3.43Å; H43-F170 AromaticContact CG-CZ 3.84Å; H43-F170 AromaticContact ND1-CD1 3.82Å; H43-F170 AromaticContact ND1-CE1 3.04Å; H43-F170 WeakPolarHBondContact ND1-CE1 3.48Å; H43-F170 AromaticContact ND1-CE2 3.86Å; H43-F170 AromaticContact ND1-CZ 3.04Å; H43-F170 WeakPolarHBondContact ND1-CZ 3.5Å; H43-F170 AromaticContact NE2-CD1 3.24Å; H43-F170 WeakPolarHBondContact NE2-CD1 3.25Å; H43-F170 AromaticContact NE2-CE1 3.28Å; H43-F170 VanDerWaalsContact NE2-CE1 3.28Å; H43-F170 WeakPolarHBondContact NE2-CE1 3.46Å; H43-F170 AromaticContact NE2-CG 3.95Å; H43-F170 AromaticContact NE2-CZ 3.97Å; A164-F170 HydrophobicContact CB-CE2 4.25Å; N167-F170 HydrophobicContact CB-CB 4.41Å; N167-F170 WeakPolarHBondContact O-CB 3.49Å; N167-F170 PolarHBondContact O-N 3.27Å; Y168-F170 PolarHBondContact O-N 2.91Å; Y168-F170 VanDerWaalsContact O-N 3.08Å; F170-L195 HydrophobicContact CD1-CD1 3.71Å; F170-L195 HydrophobicContact CD1-CD2 4.05Å; F170-L195 HydrophobicContact CE1-CD1 4.17Å; F170-L195 HydrophobicContact CE1-CD2 3.67Å |
| 171 | E | 91.9 | Very high | 95.1 | Very high | 60 Ų | 60 | 29.2 Ų | 29.2 | 28% | 0.28 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -18.4 | -178.8 | 70.4 | -169.3 | 158.9 | 0 | 0 | 114.1 | N169 F174 L175 F189 | N169-E171 VanDerWaalsContact C-N 3.3Å; N169-E171 PolarHBondContact O-N 3.07Å; E171-F174 PolarHBondContact O-N 3.11Å; E171-F174 VanDerWaalsContact O-N 3.08Å; E171-L175 PolarHBondContact O-N 2.83Å; E171-F189 HydrophobicContact CB-CD2 4.17Å; E171-F189 HydrophobicContact CB-CE2 4.03Å; E171-F189 HydrophobicContact CG-CD2 4.5Å |
| 172 | K | 95.9 | Very high | 94.9 | Very high | 68 Ų | 68 | 32 Ų | 32 | 30% | 0.296 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -56.6 | -42.1 | -173.4 | -69.4 | -167.5 | 176 | 168 | 0 | 113.3 | Y160 N169 F174 L175 W176 | Y160-K172 HydrophobicContact CD1-CB 3.94Å; Y160-K172 HydrophobicContact CD1-CD 3.84Å; Y160-K172 HydrophobicContact CD2-CB 4.07Å; Y160-K172 HydrophobicContact CE1-CB 3.9Å; Y160-K172 HydrophobicContact CE1-CD 3.8Å; Y160-K172 HydrophobicContact CE1-CG 4.43Å; Y160-K172 HydrophobicContact CE2-CB 4Å; Y160-K172 HydrophobicContact CG-CB 4.04Å; N169-K172 HydrophobicContact CB-CB 4.47Å; N169-K172 HydrophobicContact CB-CD 3.91Å; N169-K172 HydrophobicContact CB-CG 4.18Å; N169-K172 PolarHBondContact O-N 2.97Å; N169-K172 VanDerWaalsContact OD1-CD 3.31Å; N169-K172 WeakPolarHBondContact OD1-CD 3.48Å; N169-K172 WeakPolarHBondContact OD1-CE 3.35Å; N169-K172 PolarHBondContact OD1-NZ 2.99Å; K172-F174 PolarHBondContact O-N 2.58Å; K172-L175 PolarHBondContact O-N 3.27Å; K172-W176 WeakPolarHBondContact O-CB 3.49Å; K172-W176 PolarHBondContact O-N 2.79Å |
| 173 | P | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -46 | 175.4 | -26.2 | 36.2 | 0 | 0 | 0 | 112.8 | F39 I100 V131 C133 Y160 I162 N169 L177 | F39-P173 HydrophobicContact CZ-CG 4.41Å; I100-P173 HydrophobicContact CD1-CB 3.84Å; I100-P173 HydrophobicContact CG1-CB 4.45Å; V131-P173 HydrophobicContact CB-CB 4.44Å; V131-P173 HydrophobicContact CG1-CB 4Å; V131-P173 HydrophobicContact CG1-CG 4.4Å; C133-P173 VanDerWaalsContact SG-CG 3.52Å; Y160-P173 HydrophobicContact CD2-CG 4.14Å; I162-P173 HydrophobicContact CG2-CG 4.26Å; N169-P173 WeakPolarHBondContact O-CD 3.49Å; P173-L177 WeakPolarHBondContact O-CB 3.43Å; P173-L177 VanDerWaalsContact O-CG 3.26Å; P173-L177 WeakPolarHBondContact O-CG 3.44Å; P173-L177 PolarHBondContact O-N 3.47Å |
| 174 | F | 97.5 | Very high | 94.7 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.9 | -38.5 | -178.8 | -65.4 | -80.9 | 0 | 0 | 0 | 112.4 | L26 F39 H43 L63 F65 Y74 V76 I100 E171 K172 L177 A178 F189 | L26-F174 HydrophobicContact CD1-CD1 4.08Å; L26-F174 HydrophobicContact CD1-CE1 3.84Å; F39-F174 AromaticContact CE1-CE2 3.43Å; F39-F174 HydrophobicContact CE1-CE2 3.43Å; F39-F174 VanDerWaalsContact CE1-CE2 3.43Å; F39-F174 AromaticContact CE1-CZ 3.64Å; F39-F174 HydrophobicContact CE1-CZ 3.64Å; F39-F174 HydrophobicContact CZ-CD2 4.24Å; F39-F174 AromaticContact CZ-CE2 3.41Å; F39-F174 HydrophobicContact CZ-CE2 3.41Å; F39-F174 VanDerWaalsContact CZ-CE2 3.41Å; F39-F174 HydrophobicContact CZ-CZ 4.12Å; H43-F174 AromaticContact CE1-CE2 3.31Å; H43-F174 WeakPolarHBondContact CE1-CE2 3.34Å; H43-F174 AromaticContact ND1-CE2 3.93Å; H43-F174 AromaticContact NE2-CD2 3.7Å; H43-F174 AromaticContact NE2-CE2 3.38Å; H43-F174 WeakPolarHBondContact NE2-CE2 3.13Å; L63-F174 HydrophobicContact CD1-CE1 3.95Å; L63-F174 HydrophobicContact CD1-CZ 3.73Å; F65-F174 HydrophobicContact CE1-CB 4.08Å; F65-F174 HydrophobicContact CE1-CD2 4.28Å; F65-F174 HydrophobicContact CE1-CG 4.14Å; F65-F174 HydrophobicContact CE2-CB 4.16Å; F65-F174 AromaticContact CE2-CD1 3.67Å; F65-F174 HydrophobicContact CE2-CD1 3.67Å; F65-F174 HydrophobicContact CE2-CD2 4.46Å; F65-F174 HydrophobicContact CE2-CE1 4.12Å; F65-F174 AromaticContact CE2-CG 3.85Å; F65-F174 HydrophobicContact CE2-CG 3.85Å; F65-F174 HydrophobicContact CZ-CB 3.81Å; F65-F174 AromaticContact CZ-CD1 3.72Å; F65-F174 HydrophobicContact CZ-CD1 3.72Å; F65-F174 AromaticContact CZ-CD2 3.68Å; F65-F174 HydrophobicContact CZ-CD2 3.68Å; F65-F174 HydrophobicContact CZ-CE1 4.16Å; F65-F174 HydrophobicContact CZ-CE2 4.13Å; F65-F174 AromaticContact CZ-CG 3.45Å; F65-F174 HydrophobicContact CZ-CG 3.45Å; F65-F174 VanDerWaalsContact CZ-CG 3.45Å; F65-F174 HydrophobicContact CZ-CZ 4.34Å; Y74-F174 AromaticContact CD2-CD1 3.67Å; Y74-F174 HydrophobicContact CD2-CD1 3.67Å; Y74-F174 HydrophobicContact CD2-CE1 4.33Å; Y74-F174 HydrophobicContact CE2-CB 4.17Å; Y74-F174 AromaticContact CE2-CD1 3.89Å; Y74-F174 HydrophobicContact CE2-CD1 3.89Å; Y74-F174 HydrophobicContact CG-CD1 4.17Å; Y74-F174 PolarHBondContact OH-O 3.49Å; V76-F174 HydrophobicContact CG2-CE1 4.19Å; I100-F174 HydrophobicContact CD1-CE1 4.5Å; I100-F174 HydrophobicContact CD1-CZ 4.38Å; E171-F174 PolarHBondContact O-N 3.11Å; E171-F174 VanDerWaalsContact O-N 3.08Å; K172-F174 PolarHBondContact O-N 2.58Å; F174-L177 PolarHBondContact O-N 3.11Å; F174-A178 VanDerWaalsContact O-CB 3.32Å; F174-A178 WeakPolarHBondContact O-CB 3.48Å; F174-A178 PolarHBondContact O-N 2.78Å; F174-F189 HydrophobicContact CB-CE2 4.28Å; F174-F189 HydrophobicContact CB-CZ 4.01Å |
| 175 | L | 97.2 | Very high | 94.8 | Very high | 28 Ų | 28 | 40.5 Ų | 40.5 | 15% | 0.147 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.7 | -44.8 | 178.1 | -177.6 | 59.9 | 0 | 0 | 0 | 111.4 | E171 K172 A178 R179 L187 F189 | E171-L175 PolarHBondContact O-N 2.83Å; K172-L175 PolarHBondContact O-N 3.27Å; L175-A178 PolarHBondContact O-N 3.42Å; L175-R179 WeakPolarHBondContact O-CG 3.28Å; L175-R179 PolarHBondContact O-N 3.36Å; L175-L187 HydrophobicContact CD1-CD2 3.72Å; L175-F189 HydrophobicContact CB-CD2 4.36Å; L175-F189 HydrophobicContact CB-CE2 3.8Å; L175-F189 HydrophobicContact CB-CZ 3.93Å; L175-F189 HydrophobicContact CD1-CD1 3.96Å; L175-F189 HydrophobicContact CD1-CD2 4.38Å; L175-F189 HydrophobicContact CD1-CE1 3.95Å; L175-F189 HydrophobicContact CD1-CE2 4.36Å; L175-F189 HydrophobicContact CD1-CG 4.2Å; L175-F189 HydrophobicContact CD1-CZ 4.16Å |
| 176 | W | 98.3 | Very high | 95 | Very high | 42 Ų | 42 | 42.6 Ų | 42.6 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -44.3 | 176.9 | -174.6 | 96.9 | 0 | 0 | 0 | 111.8 | P129 V131 Q158 Y160 K172 A178 R179 K180 | P129-W176 HydrophobicContact CB-CH2 4.34Å; P129-W176 HydrophobicContact CB-CZ3 3.86Å; V131-W176 HydrophobicContact CG2-CD2 4.23Å; V131-W176 HydrophobicContact CG2-CE3 3.42Å; V131-W176 VanDerWaalsContact CG2-CE3 3.42Å; V131-W176 HydrophobicContact CG2-CZ3 3.85Å; Q158-W176 HydrophobicContact CB-CD2 3.69Å; Q158-W176 VanDerWaalsContact CB-CE2 3.42Å; Q158-W176 HydrophobicContact CB-CE3 4.09Å; Q158-W176 HydrophobicContact CB-CG 4.15Å; Q158-W176 HydrophobicContact CB-CH2 4.02Å; Q158-W176 HydrophobicContact CB-CZ2 3.61Å; Q158-W176 HydrophobicContact CB-CZ3 4.23Å; Q158-W176 HydrophobicContact CG-CD2 3.94Å; Q158-W176 HydrophobicContact CG-CG 3.83Å; Q158-W176 VanDerWaalsContact OE1-NE1 3.13Å; Y160-W176 HydrophobicContact CE2-CB 4.04Å; Y160-W176 HydrophobicContact CE2-CG 4.49Å; K172-W176 WeakPolarHBondContact O-CB 3.49Å; K172-W176 PolarHBondContact O-N 2.79Å; W176-A178 VanDerWaalsContact C-N 3.32Å; W176-A178 PolarHBondContact O-N 2.83Å; W176-R179 PolarHBondContact O-N 2.6Å; W176-K180 HydrophobicContact CD2-CG 4.02Å; W176-K180 HydrophobicContact CE3-CG 3.97Å; W176-K180 HydrophobicContact CH2-CD 4.39Å; W176-K180 HydrophobicContact CH2-CG 3.78Å; W176-K180 HydrophobicContact CZ2-CD 4.17Å; W176-K180 HydrophobicContact CZ2-CG 3.81Å; W176-K180 HydrophobicContact CZ3-CG 3.86Å; W176-K180 WeakPolarHBondContact O-CG 3.24Å; W176-K180 PolarHBondContact O-N 2.98Å |
| 177 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 174.7 | -73 | 175.6 | 0 | 0 | 0 | 111.4 | L26 Y74 C98 I100 P129 V131 P173 F174 R179 K180 L181 | L26-L177 HydrophobicContact CD1-CD1 3.59Å; L26-L177 HydrophobicContact CG-CD1 4.46Å; Y74-L177 HydrophobicContact CE1-CB 4.47Å; C98-L177 HydrophobicContact CB-CD1 4.18Å; C98-L177 HydrophobicContact CB-CD2 3.75Å; C98-L177 HydrophobicContact CB-CG 4.42Å; I100-L177 HydrophobicContact CD1-CD1 4.34Å; I100-L177 HydrophobicContact CG1-CD1 3.98Å; P129-L177 HydrophobicContact CB-CD2 3.86Å; P129-L177 HydrophobicContact CG-CD2 4.22Å; P129-L177 WeakPolarHBondContact O-CD2 3.46Å; V131-L177 HydrophobicContact CG2-CD1 4.27Å; V131-L177 HydrophobicContact CG2-CD2 3.83Å; V131-L177 HydrophobicContact CG2-CG 3.73Å; P173-L177 WeakPolarHBondContact O-CB 3.43Å; P173-L177 VanDerWaalsContact O-CG 3.26Å; P173-L177 WeakPolarHBondContact O-CG 3.44Å; P173-L177 PolarHBondContact O-N 3.47Å; F174-L177 PolarHBondContact O-N 3.11Å; L177-R179 PolarHBondContact O-N 3.37Å; L177-K180 PolarHBondContact O-N 3.02Å; L177-L181 HydrophobicContact CB-CD1 4.44Å; L177-L181 WeakPolarHBondContact O-CB 3.12Å; L177-L181 WeakPolarHBondContact O-CD1 3.48Å; L177-L181 VanDerWaalsContact O-CG 3.22Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 3.44Å |
| 178 | A | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.6 | -46.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I72 Y74 F174 L175 W176 K180 L181 I182 L187 | I72-A178 HydrophobicContact CD1-CB 4.04Å; Y74-A178 WeakPolarHBondContact OH-CA 3.37Å; Y74-A178 WeakPolarHBondContact OH-CB 3.38Å; Y74-A178 PolarHBondContact OH-N 2.86Å; F174-A178 VanDerWaalsContact O-CB 3.32Å; F174-A178 WeakPolarHBondContact O-CB 3.48Å; F174-A178 PolarHBondContact O-N 2.78Å; L175-A178 PolarHBondContact O-N 3.42Å; W176-A178 VanDerWaalsContact C-N 3.32Å; W176-A178 PolarHBondContact O-N 2.83Å; A178-K180 VanDerWaalsContact C-N 3.3Å; A178-K180 PolarHBondContact O-N 3.18Å; A178-L181 PolarHBondContact O-N 3.02Å; A178-I182 VanDerWaalsContact O-CB 3.28Å; A178-I182 WeakPolarHBondContact O-CB 3.18Å; A178-I182 VanDerWaalsContact O-CG1 3.24Å; A178-I182 WeakPolarHBondContact O-CG1 3.33Å; A178-I182 PolarHBondContact O-N 2.66Å; A178-L187 HydrophobicContact CB-CD1 4.29Å; A178-L187 HydrophobicContact CB-CD2 3.76Å |
| 179 | R | 97.5 | Very high | 95.5 | Very high | 77 Ų | 77 | 45.7 Ų | 45.7 | 29% | 0.291 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.4 | -42.7 | 175.9 | -70.9 | 170.6 | 174.9 | 176.6 | -5.4 | 112.1 | L175 W176 L177 G183 D184 P185 L187 | L175-R179 WeakPolarHBondContact O-CG 3.28Å; L175-R179 PolarHBondContact O-N 3.36Å; W176-R179 PolarHBondContact O-N 2.6Å; L177-R179 PolarHBondContact O-N 3.37Å; R179-G183 WeakPolarHBondContact O-CA 3.04Å; R179-G183 PolarHBondContact O-N 3.09Å; R179-D184 WeakPolarHBondContact CA-O 3.04Å; R179-D184 WeakPolarHBondContact CB-O 3.42Å; R179-D184 WeakPolarHBondContact CG-O 3.22Å; R179-D184 PolarHBondContact O-N 3.33Å; R179-P185 PolarHBondContact NE-O 3.06Å; R179-L187 HydrophobicContact CG-CB 3.98Å; R179-L187 PolarHBondContact NE-O 3.3Å; R179-L187 PolarHBondContact NH2-O 2.87Å |
| 180 | K | 97.4 | Very high | 95.4 | Very high | 126 Ų | 126 | 49 Ų | 49 | 55% | 0.548 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.4 | -42.3 | 179 | -71.7 | -64.5 | -174.6 | -179.8 | 0 | 113.3 | P129 W176 L177 A178 | P129-K180 HydrophobicContact CB-CB 3.95Å; P129-K180 HydrophobicContact CB-CG 4.45Å; P129-K180 HydrophobicContact CG-CB 4.36Å; W176-K180 HydrophobicContact CD2-CG 4.02Å; W176-K180 HydrophobicContact CE3-CG 3.97Å; W176-K180 HydrophobicContact CH2-CD 4.39Å; W176-K180 HydrophobicContact CH2-CG 3.78Å; W176-K180 HydrophobicContact CZ2-CD 4.17Å; W176-K180 HydrophobicContact CZ2-CG 3.81Å; W176-K180 HydrophobicContact CZ3-CG 3.86Å; W176-K180 WeakPolarHBondContact O-CG 3.24Å; W176-K180 PolarHBondContact O-N 2.98Å; L177-K180 PolarHBondContact O-N 3.02Å; A178-K180 VanDerWaalsContact C-N 3.3Å; A178-K180 PolarHBondContact O-N 3.18Å |
| 181 | L | 95.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 51.2 Ų | 51.2 | 16% | 0.162 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -71.7 | -38.6 | -178.2 | -71.2 | 166 | 0 | 0 | 0 | 112.5 | F24 Y74 Q97 C98 P129 L177 A178 | F24-L181 HydrophobicContact CB-CD1 4.15Å; F24-L181 HydrophobicContact CD1-CB 4.29Å; F24-L181 HydrophobicContact CD1-CD1 3.81Å; F24-L181 HydrophobicContact CD1-CD2 4.03Å; F24-L181 HydrophobicContact CD1-CG 4.27Å; F24-L181 HydrophobicContact CD2-CD1 4.06Å; F24-L181 HydrophobicContact CE1-CB 3.82Å; F24-L181 HydrophobicContact CE1-CD1 4.19Å; F24-L181 HydrophobicContact CE1-CD2 4.16Å; F24-L181 HydrophobicContact CE1-CG 4.29Å; F24-L181 HydrophobicContact CE2-CB 4.36Å; F24-L181 HydrophobicContact CE2-CD1 4.42Å; F24-L181 HydrophobicContact CG-CD1 3.73Å; F24-L181 HydrophobicContact CZ-CB 3.87Å; F24-L181 HydrophobicContact CZ-CD1 4.49Å; Y74-L181 HydrophobicContact CE1-CD1 3.81Å; Q97-L181 HydrophobicContact CB-CD2 4.34Å; Q97-L181 WeakPolarHBondContact O-CD2 2.91Å; C98-L181 HydrophobicContact CB-CD1 4.03Å; C98-L181 HydrophobicContact CB-CD2 4.43Å; P129-L181 HydrophobicContact CG-CD2 3.79Å; P129-L181 HydrophobicContact CG-CG 4.06Å; L177-L181 HydrophobicContact CB-CD1 4.44Å; L177-L181 WeakPolarHBondContact O-CB 3.12Å; L177-L181 WeakPolarHBondContact O-CD1 3.48Å; L177-L181 VanDerWaalsContact O-CG 3.22Å; L177-L181 WeakPolarHBondContact O-CG 3.47Å; L177-L181 PolarHBondContact O-N 3.44Å; A178-L181 PolarHBondContact O-N 3.02Å |
| 182 | I | 94.2 | Very high | 93.6 | Very high | 59 Ų | 59 | 54.6 Ų | 54.6 | 30% | 0.303 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -82 | -25.1 | 178.2 | -59.5 | -61.3 | 0 | 0 | 0 | 111.5 | A22 F24 I72 A178 D184 L187 | A22-I182 HydrophobicContact CB-CD1 4.44Å; F24-I182 HydrophobicContact CE2-CD1 4.08Å; F24-I182 HydrophobicContact CZ-CD1 3.82Å; I72-I182 HydrophobicContact CD1-CD1 4.08Å; I72-I182 HydrophobicContact CD1-CG1 3.8Å; A178-I182 VanDerWaalsContact O-CB 3.28Å; A178-I182 WeakPolarHBondContact O-CB 3.18Å; A178-I182 VanDerWaalsContact O-CG1 3.24Å; A178-I182 WeakPolarHBondContact O-CG1 3.33Å; A178-I182 PolarHBondContact O-N 2.66Å; I182-D184 VanDerWaalsContact C-N 3.34Å; I182-D184 HydrophobicContact CG2-CB 4.15Å; I182-L187 HydrophobicContact CB-CD1 4.06Å; I182-L187 HydrophobicContact CG1-CD1 3.84Å; I182-L187 HydrophobicContact CG2-CD1 4.18Å |
| 183 | G | 95 | Very high | 92.2 | Very high | 62 Ų | 62 | 52.9 Ų | 52.9 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 19.7 | -175 | 0 | 0 | 0 | 0 | 0 | 113.7 | R179 | R179-G183 WeakPolarHBondContact O-CA 3.04Å; R179-G183 PolarHBondContact O-N 3.09Å |
| 184 | D | 95.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 57.9 Ų | 57.9 | 14% | 0.144 | 33% | 0.332 | C | S | . | . | trans | -116 | 107.5 | 176.7 | -174.6 | -3.6 | 0 | 0 | 0 | 110.5 | R69 R179 I182 N186 L187 | R69-D184 IonicContact CZ-OD2 2.75Å; R69-D184 VanDerWaalsContact CZ-OD2 3.22Å; R69-D184 IonicContact NE-OD2 3.73Å; R69-D184 PolarHBondContact NE-OD2 3.07Å; R69-D184 IonicContact NH2-OD2 3.02Å; R69-D184 PolarHBondContact NH2-OD2 2.97Å; R179-D184 WeakPolarHBondContact CA-O 3.04Å; R179-D184 WeakPolarHBondContact CB-O 3.42Å; R179-D184 WeakPolarHBondContact CG-O 3.22Å; R179-D184 PolarHBondContact O-N 3.33Å; I182-D184 VanDerWaalsContact C-N 3.34Å; I182-D184 HydrophobicContact CG2-CB 4.15Å; D184-N186 PolarHBondContact O-N 2.94Å; D184-N186 WeakPolarHBondContact OD1-CA 3.43Å; D184-N186 WeakPolarHBondContact OD1-CB 3.14Å; D184-N186 PolarHBondContact OD1-N 2.85Å; D184-L187 HydrophobicContact CB-CB 4.34Å; D184-L187 WeakPolarHBondContact O-CB 3.2Å; D184-L187 PolarHBondContact O-N 3.34Å | ||
| 185 | P | 94.6 | Very high | 89.2 | Confident | 93 Ų | 93 | 60 Ų | 60 | 60% | 0.604 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -19.8 | 177.4 | 28.5 | -34.3 | 0 | 0 | 0 | 113.5 | R179 L187 | R179-P185 PolarHBondContact NE-O 3.06Å; P185-L187 VanDerWaalsContact C-N 3.31Å |
| 186 | N | 95.6 | Very high | 88 | Confident | 109 Ų | 109 | 60.3 Ų | 60.3 | 58% | 0.583 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 8.6 | 179.7 | -55.1 | -50.8 | 0 | 0 | 0 | 112.6 | N68 D184 E188 | N68-N186 PolarHBondContact ND2-O 3.06Å; D184-N186 PolarHBondContact O-N 2.94Å; D184-N186 WeakPolarHBondContact OD1-CA 3.43Å; D184-N186 WeakPolarHBondContact OD1-CB 3.14Å; D184-N186 PolarHBondContact OD1-N 2.85Å; N186-E188 PolarHBondContact O-N 2.86Å |
| 187 | L | 95.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -65 | 131.6 | 172.7 | -174.5 | 154.3 | 0 | 0 | 0 | 109.5 | T67 N68 R69 I72 L175 A178 R179 I182 D184 P185 F189 | T67-L187 HydrophobicContact CG2-CD1 4.45Å; T67-L187 HydrophobicContact CG2-CD2 3.91Å; T67-L187 HydrophobicContact CG2-CG 4.34Å; N68-L187 WeakPolarHBondContact OD1-CA 3.3Å; R69-L187 HydrophobicContact CG-CD1 4.42Å; I72-L187 HydrophobicContact CD1-CD1 3.91Å; L175-L187 HydrophobicContact CD1-CD2 3.72Å; A178-L187 HydrophobicContact CB-CD1 4.29Å; A178-L187 HydrophobicContact CB-CD2 3.76Å; R179-L187 HydrophobicContact CG-CB 3.98Å; R179-L187 PolarHBondContact NE-O 3.3Å; R179-L187 PolarHBondContact NH2-O 2.87Å; I182-L187 HydrophobicContact CB-CD1 4.06Å; I182-L187 HydrophobicContact CG1-CD1 3.84Å; I182-L187 HydrophobicContact CG2-CD1 4.18Å; D184-L187 HydrophobicContact CB-CB 4.34Å; D184-L187 WeakPolarHBondContact O-CB 3.2Å; D184-L187 PolarHBondContact O-N 3.34Å; P185-L187 VanDerWaalsContact C-N 3.31Å; L187-F189 HydrophobicContact CD2-CE1 4.44Å | ||
| 188 | E | 94.7 | Very high | 85.9 | Confident | 113 Ų | 113 | 66.2 Ų | 66.2 | 53% | 0.528 | 39% | 0.393 | S | S | . | . | trans | -135.1 | 150.4 | -179.6 | -68.2 | -175.4 | 167 | 0 | 0 | 110.6 | T67 N68 N186 | T67-E188 CarbonylContact C-O 3.58Å; T67-E188 WeakPolarHBondContact CA-O 3.15Å; T67-E188 WeakPolarHBondContact CB-O 3.43Å; N68-E188 PolarHBondContact N-O 3.33Å; N68-E188 PolarHBondContact OD1-N 3.43Å; N68-E188 PolarHBondContact OD1-O 3.49Å; N186-E188 PolarHBondContact O-N 2.86Å | ||
| 189 | F | 93.2 | Very high | 84.9 | Confident | 32 Ų | 32 | 70 Ų | 70 | 14% | 0.14 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126 | 169.9 | -64.4 | -23.3 | 0 | 0 | 0 | 109.7 | F65 H66 T67 E171 F174 L175 L187 | F65-F189 HydrophobicContact CB-CD1 4.21Å; F65-F189 HydrophobicContact CB-CE1 3.75Å; F65-F189 HydrophobicContact CB-CZ 4.03Å; F65-F189 HydrophobicContact CD1-CD2 4.12Å; F65-F189 HydrophobicContact CD1-CE1 4.1Å; F65-F189 AromaticContact CD1-CE2 3.56Å; F65-F189 HydrophobicContact CD1-CE2 3.56Å; F65-F189 AromaticContact CD1-CZ 3.54Å; F65-F189 HydrophobicContact CD1-CZ 3.54Å; F65-F189 AromaticContact CE1-CE2 3.98Å; F65-F189 HydrophobicContact CE1-CE2 3.98Å; F65-F189 HydrophobicContact CE1-CZ 4.19Å; F65-F189 HydrophobicContact CG-CE1 4.13Å; F65-F189 HydrophobicContact CG-CE2 4.35Å; F65-F189 AromaticContact CG-CZ 3.87Å; F65-F189 HydrophobicContact CG-CZ 3.87Å; H66-F189 WeakPolarHBondContact O-CA 3.12Å; T67-F189 HydrophobicContact CG2-CD1 3.93Å; T67-F189 HydrophobicContact CG2-CE1 4.06Å; E171-F189 HydrophobicContact CB-CD2 4.17Å; E171-F189 HydrophobicContact CB-CE2 4.03Å; E171-F189 HydrophobicContact CG-CD2 4.5Å; F174-F189 HydrophobicContact CB-CE2 4.28Å; F174-F189 HydrophobicContact CB-CZ 4.01Å; L175-F189 HydrophobicContact CB-CD2 4.36Å; L175-F189 HydrophobicContact CB-CE2 3.8Å; L175-F189 HydrophobicContact CB-CZ 3.93Å; L175-F189 HydrophobicContact CD1-CD1 3.96Å; L175-F189 HydrophobicContact CD1-CD2 4.38Å; L175-F189 HydrophobicContact CD1-CE1 3.95Å; L175-F189 HydrophobicContact CD1-CE2 4.36Å; L175-F189 HydrophobicContact CD1-CG 4.2Å; L175-F189 HydrophobicContact CD1-CZ 4.16Å; L187-F189 HydrophobicContact CD2-CE1 4.44Å |
| 190 | V | 90.6 | Very high | 84.2 | Confident | 97 Ų | 97 | 68.7 Ų | 68.7 | 59% | 0.588 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -13 | -177.2 | -65.5 | 0 | 0 | 0 | 0 | 112.8 | H66 N68 | H66-V190 HydrophobicContact CB-CG2 3.98Å; H66-V190 WeakPolarHBondContact O-CG2 3.36Å; H66-V190 PolarHBondContact O-N 3.26Å; N68-V190 HydrophobicContact CB-CG1 3.84Å |
| 191 | A | 78.8 | Confident | 83.7 | Confident | 50 Ų | 50 | 70.8 Ų | 70.8 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 129.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | H66 | H66-A191 HydrophobicContact CB-CB 4.43Å |
| 192 | M | 66.1 | Low | 83.3 | Confident | 132 Ų | 132 | 70.5 Ų | 70.5 | 65% | 0.65 | 42% | 0.422 | S | S | * | . | trans | -67.3 | 137.1 | 167.7 | -63.5 | -169.3 | 83.5 | 0 | 0 | 108.2 | A194 | M192-A194 PolarHBondContact O-N 2.94Š| ||
| 193 | P | 65.3 | Low | 83.1 | Confident | 32 Ų | 32 | 71 Ų | 71 | 21% | 0.208 | 43% | 0.425 | C | S | . | . | trans | -51.2 | 140.7 | 164.4 | -21.6 | 32 | 0 | 0 | 0 | 108.9 | F65 L195 | F65-P193 HydrophobicContact CD1-CG 4.21Å; F65-P193 HydrophobicContact CE1-CG 4.06Å; P193-L195 HydrophobicContact CB-CD2 4.38Å; P193-L195 HydrophobicContact CB-CG 4.48Å; P193-L195 PolarHBondContact O-N 3.41Å | ||
| 194 | A | 65.8 | Low | 82.8 | Confident | 104 Ų | 104 | 73.1 Ų | 73.1 | 86% | 0.86 | 43% | 0.427 | S | S | * | . | trans | -67.5 | 82 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | M192 | M192-A194 PolarHBondContact O-N 2.94Š| ||
| 195 | L | 67.8 | Low | 82.7 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 24% | 0.241 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -79.6 | 138.3 | 177.4 | -61.6 | 175.7 | 0 | 0 | 0 | 109 | R42 N167 F170 P193 | R42-L195 VanDerWaalsContact O-CD2 3.22Å; R42-L195 WeakPolarHBondContact O-CD2 3.24Å; N167-L195 HydrophobicContact CB-CD1 4.32Å; F170-L195 HydrophobicContact CD1-CD1 3.71Å; F170-L195 HydrophobicContact CD1-CD2 4.05Å; F170-L195 HydrophobicContact CE1-CD1 4.17Å; F170-L195 HydrophobicContact CE1-CD2 3.67Å; P193-L195 HydrophobicContact CB-CD2 4.38Å; P193-L195 HydrophobicContact CB-CG 4.48Å; P193-L195 PolarHBondContact O-N 3.41Å |
| 196 | A | 70.8 | Confident | 82.4 | Confident | 34 Ų | 34 | 72.6 Ų | 72.6 | 28% | 0.281 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 155.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | G46 N167 | G46-A196 WeakPolarHBondContact O-CB 3.37Å; N167-A196 PolarHBondContact ND2-O 3.27Å |
| 197 | P | 74.4 | Confident | 82.1 | Confident | 115 Ų | 115 | 68 Ų | 68 | 75% | 0.747 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -53 | 143.7 | 176.2 | -24.3 | 33.3 | 0 | 0 | 0 | 111.1 | E199 | P197-E199 PolarHBondContact O-N 2.82Š|
| 198 | P | 79.5 | Confident | 81.9 | Confident | 51 Ų | 51 | 70.7 Ų | 70.7 | 33% | 0.331 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 137 | -177.9 | 28.2 | -34.5 | 0 | 0 | 0 | 111.9 | R42 S166 V200 | R42-P198 VanDerWaalsContact NH2-CA 3.34Å; S166-P198 WeakPolarHBondContact O-CB 3.31Å; P198-V200 PolarHBondContact O-N 2.85Å |
| 199 | E | 76.1 | Confident | 81.8 | Confident | 79 Ų | 79 | 70.5 Ų | 70.5 | 37% | 0.369 | 42% | 0.422 | S | S | . | . | S | Bend | trans | -63.5 | -29.2 | 174.1 | -70.7 | -155.9 | 164.6 | 0 | 0 | 112.9 | F48 K50 K165 P197 | F48-E199 HydrophobicContact CB-CG 3.77Å; F48-E199 HydrophobicContact CD1-CG 4.17Å; F48-E199 WeakPolarHBondContact CD1-OE1 3.44Å; F48-E199 WeakPolarHBondContact CD1-OE2 3.32Å; F48-E199 HydrophobicContact CG-CG 4.12Å; K50-E199 VanDerWaalsContact CE-CD 3.41Å; K50-E199 WeakPolarHBondContact CE-OE1 3.35Å; K50-E199 VanDerWaalsContact CE-OE2 3.24Å; K50-E199 WeakPolarHBondContact CE-OE2 3.4Å; K50-E199 IonicContact NZ-OE1 3.51Å; K165-E199 HydrophobicContact CG-CB 4.22Å; K165-E199 PolarHBondContact O-N 2.85Å; P197-E199 PolarHBondContact O-N 2.82Å |
| 200 | V | 83.1 | Confident | 81.7 | Confident | 50 Ų | 50 | 69.5 Ų | 69.5 | 30% | 0.303 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -135.8 | 132.5 | 176.9 | 172.5 | 0 | 0 | 0 | 0 | 107.7 | K165 S166 P198 | K165-V200 HydrophobicContact CD-CB 4.2Å; K165-V200 HydrophobicContact CD-CG2 3.78Å; K165-V200 VanDerWaalsContact CE-CG2 3.42Å; K165-V200 HydrophobicContact CG-CB 4.31Å; K165-V200 HydrophobicContact CG-CG2 4.27Å; S166-V200 WeakPolarHBondContact CA-O 3.22Å; S166-V200 WeakPolarHBondContact CB-O 3.22Å; P198-V200 PolarHBondContact O-N 2.85Å |
| 201 | Q | 84.9 | Confident | 81.8 | Confident | 170 Ų | 170 | 69.2 Ų | 69.2 | 79% | 0.794 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -78 | 131 | 170.8 | -67.6 | -178.6 | -5.2 | 0 | 0 | 109.4 | D203 | Q201-D203 PolarHBondContact O-N 2.83Š|
| 202 | M | 87.8 | Confident | 82.5 | Confident | 26 Ų | 26 | 72.8 Ų | 72.8 | 13% | 0.128 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 126.9 | 169.6 | -171.6 | 65 | -176.2 | 0 | 0 | 108.3 | V137 D138 Y168 P204 L206 A207 Y210 | V137-M202 HydrophobicContact CB-CE 4.43Å; V137-M202 HydrophobicContact CG2-CE 3.92Å; V137-M202 HydrophobicContact CG2-SD 4.26Å; D138-M202 HydrophobicContact CB-SD 4.34Å; Y168-M202 HydrophobicContact CD2-CB 4.44Å; Y168-M202 HydrophobicContact CD2-CG 4.03Å; Y168-M202 HydrophobicContact CG-CG 4.1Å; M202-P204 VanDerWaalsContact O-CD 3.31Å; M202-P204 WeakPolarHBondContact O-CD 3.35Å; M202-L206 HydrophobicContact CE-CB 4.31Å; M202-L206 HydrophobicContact CE-CD2 4Å; M202-L206 HydrophobicContact CE-CG 4Å; M202-A207 HydrophobicContact CE-CB 4.35Å; M202-A207 HydrophobicContact CG-CB 4.04Å; M202-Y210 HydrophobicContact CE-CD2 3.93Å; M202-Y210 HydrophobicContact CE-CE2 4.01Å |
| 203 | D | 90.2 | Very high | 83.7 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 36% | 0.364 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 118.8 | 175 | 179 | -19.3 | 0 | 0 | 0 | 109.1 | Q201 S205 L206 A207 | Q201-D203 PolarHBondContact O-N 2.83Å; D203-S205 VanDerWaalsContact CG-OG 3.28Å; D203-S205 PolarHBondContact O-N 2.74Å; D203-S205 WeakPolarHBondContact OD1-CB 3.39Å; D203-S205 PolarHBondContact OD1-N 2.78Å; D203-S205 PolarHBondContact OD1-OG 2.88Å; D203-S205 PolarHBondContact OD2-OG 2.82Å; D203-L206 HydrophobicContact CB-CB 3.84Å; D203-L206 WeakPolarHBondContact O-CB 3.33Å; D203-L206 PolarHBondContact O-N 3.1Å; D203-A207 PolarHBondContact O-N 3.32Å |
| 204 | P | 89.6 | Confident | 84.9 | Confident | 107 Ų | 107 | 69.8 Ų | 69.8 | 70% | 0.695 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.5 | -34.9 | -177.2 | -25.6 | 35 | 0 | 0 | 0 | 113.3 | M202 L206 A207 A208 | M202-P204 VanDerWaalsContact O-CD 3.31Å; M202-P204 WeakPolarHBondContact O-CD 3.35Å; P204-L206 VanDerWaalsContact C-N 3.34Å; P204-A207 PolarHBondContact O-N 2.85Å; P204-A208 WeakPolarHBondContact O-CB 3.38Å; P204-A208 PolarHBondContact O-N 3.49Å |
| 205 | S | 91.6 | Very high | 86.1 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 56% | 0.559 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.4 | -37.5 | 178.3 | 70.6 | 0 | 0 | 0 | 0 | 111.4 | D203 K209 | D203-S205 VanDerWaalsContact CG-OG 3.28Å; D203-S205 PolarHBondContact O-N 2.74Å; D203-S205 WeakPolarHBondContact OD1-CB 3.39Å; D203-S205 PolarHBondContact OD1-N 2.78Å; D203-S205 PolarHBondContact OD1-OG 2.88Å; D203-S205 PolarHBondContact OD2-OG 2.82Å; S205-K209 WeakPolarHBondContact O-CB 3.38Å; S205-K209 PolarHBondContact O-N 2.84Å |
| 206 | L | 89.2 | Confident | 87.2 | Confident | 29 Ų | 29 | 71.3 Ų | 71.3 | 15% | 0.152 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.6 | -40.3 | 176.3 | -172.6 | 62.2 | 0 | 0 | 0 | 111.6 | M202 D203 P204 K209 Y210 | M202-L206 HydrophobicContact CE-CB 4.31Å; M202-L206 HydrophobicContact CE-CD2 4Å; M202-L206 HydrophobicContact CE-CG 4Å; D203-L206 HydrophobicContact CB-CB 3.84Å; D203-L206 WeakPolarHBondContact O-CB 3.33Å; D203-L206 PolarHBondContact O-N 3.1Å; P204-L206 VanDerWaalsContact C-N 3.34Å; L206-K209 PolarHBondContact O-N 2.8Å; L206-Y210 HydrophobicContact CD1-CD2 4.45Å; L206-Y210 HydrophobicContact CD1-CE1 3.96Å; L206-Y210 HydrophobicContact CD1-CE2 3.84Å; L206-Y210 HydrophobicContact CD2-CE2 3.97Å; L206-Y210 HydrophobicContact CG-CD2 4.11Å; L206-Y210 HydrophobicContact CG-CE2 3.59Å; L206-Y210 PolarHBondContact O-N 3.37Å |
| 207 | A | 89.7 | Confident | 88 | Confident | 12 Ų | 12 | 70.4 Ų | 70.4 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y168 M202 D203 P204 K209 Y210 E211 | Y168-A207 HydrophobicContact CD2-CB 4.41Å; Y168-A207 HydrophobicContact CE2-CB 3.67Å; M202-A207 HydrophobicContact CE-CB 4.35Å; M202-A207 HydrophobicContact CG-CB 4.04Å; D203-A207 PolarHBondContact O-N 3.32Å; P204-A207 PolarHBondContact O-N 2.85Å; A207-K209 VanDerWaalsContact C-N 3.33Å; A207-K209 PolarHBondContact O-N 3.41Å; A207-Y210 PolarHBondContact O-N 3.42Å; A207-E211 PolarHBondContact O-N 2.94Å |
| 208 | A | 91.4 | Very high | 88.6 | Confident | 57 Ų | 57 | 68 Ų | 68 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -59.6 | -43.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P204 Y210 E211 E212 | P204-A208 WeakPolarHBondContact O-CB 3.38Å; P204-A208 PolarHBondContact O-N 3.49Å; A208-Y210 PolarHBondContact O-N 3.24Å; A208-E211 PolarHBondContact O-N 3.16Å; A208-E212 WeakPolarHBondContact O-CB 3.45Å; A208-E212 PolarHBondContact O-N 3.06Å |
| 209 | K | 92.7 | Very high | 88.9 | Confident | 109 Ų | 109 | 73.3 Ų | 73.3 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 175.8 | 179.9 | -179.7 | 176.3 | 178.7 | 0 | 112.4 | S205 L206 A207 E211 E212 E213 | S205-K209 WeakPolarHBondContact O-CB 3.38Å; S205-K209 PolarHBondContact O-N 2.84Å; L206-K209 PolarHBondContact O-N 2.8Å; A207-K209 VanDerWaalsContact C-N 3.33Å; A207-K209 PolarHBondContact O-N 3.41Å; K209-E211 VanDerWaalsContact C-N 3.34Å; K209-E212 PolarHBondContact O-N 2.83Å; K209-E213 WeakPolarHBondContact CE-OE1 3.47Å; K209-E213 HydrophobicContact CG-CG 4.5Å; K209-E213 WeakPolarHBondContact O-CB 3.21Å; K209-E213 WeakPolarHBondContact O-CG 3.14Å; K209-E213 PolarHBondContact O-N 2.98Å |
| 210 | Y | 91.5 | Very high | 89.4 | Confident | 12 Ų | 12 | 73 Ų | 73 | 5% | 0.047 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67.4 | -35.3 | 179 | -70.7 | -27.9 | 0 | 0 | 0 | 112.6 | V137 R142 M202 L206 A207 A208 E213 L214 | V137-Y210 HydrophobicContact CB-CD2 4.25Å; V137-Y210 HydrophobicContact CB-CE2 4.07Å; V137-Y210 WeakPolarHBondContact O-CE2 3.19Å; R142-Y210 VanDerWaalsContact NH1-CD1 3.25Å; R142-Y210 VanDerWaalsContact NH1-CG 3.3Å; M202-Y210 HydrophobicContact CE-CD2 3.93Å; M202-Y210 HydrophobicContact CE-CE2 4.01Å; L206-Y210 HydrophobicContact CD1-CD2 4.45Å; L206-Y210 HydrophobicContact CD1-CE1 3.96Å; L206-Y210 HydrophobicContact CD1-CE2 3.84Å; L206-Y210 HydrophobicContact CD2-CE2 3.97Å; L206-Y210 HydrophobicContact CG-CD2 4.11Å; L206-Y210 HydrophobicContact CG-CE2 3.59Å; L206-Y210 PolarHBondContact O-N 3.37Å; A207-Y210 PolarHBondContact O-N 3.42Å; A208-Y210 PolarHBondContact O-N 3.24Å; Y210-E213 PolarHBondContact O-N 2.84Å; Y210-L214 WeakPolarHBondContact O-CB 3.49Å; Y210-L214 VanDerWaalsContact O-CG 3.32Å; Y210-L214 WeakPolarHBondContact O-CG 2.88Å; Y210-L214 PolarHBondContact O-N 3.02Å |
| 211 | E | 91.3 | Very high | 89.5 | Confident | 90 Ų | 90 | 74.6 Ų | 74.6 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 173.9 | -173.6 | 161.1 | -153.5 | 0 | 0 | 111.7 | A207 A208 K209 L214 Q215 | A207-E211 PolarHBondContact O-N 2.94Å; A208-E211 PolarHBondContact O-N 3.16Å; K209-E211 VanDerWaalsContact C-N 3.34Å; E211-L214 PolarHBondContact O-N 3.34Å; E211-Q215 WeakPolarHBondContact O-CG 3.35Å; E211-Q215 PolarHBondContact O-N 3.26Å |
| 212 | E | 93 | Very high | 89.2 | Confident | 126 Ų | 126 | 69.6 Ų | 69.6 | 59% | 0.589 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -60.6 | -47.4 | 173.6 | -174.6 | -177.6 | -172.4 | 0 | 0 | 111.6 | A208 K209 L214 Q215 V216 | A208-E212 WeakPolarHBondContact O-CB 3.45Å; A208-E212 PolarHBondContact O-N 3.06Å; K209-E212 PolarHBondContact O-N 2.83Å; E212-L214 VanDerWaalsContact C-N 3.26Å; E212-L214 PolarHBondContact O-N 3.29Å; E212-Q215 PolarHBondContact O-N 3.44Å; E212-Q215 VanDerWaalsContact O-N 3.16Å; E212-V216 WeakPolarHBondContact O-CG2 3.2Å; E212-V216 PolarHBondContact O-N 2.96Å |
| 213 | E | 91.7 | Very high | 88.6 | Confident | 61 Ų | 61 | 71.5 Ų | 71.5 | 29% | 0.285 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -59.2 | -36.9 | 177.5 | -76.7 | -178.3 | -177.6 | 0 | 0 | 112.4 | A146 K209 Y210 A217 | A146-E213 HydrophobicContact CB-CB 3.87Å; K209-E213 WeakPolarHBondContact CE-OE1 3.47Å; K209-E213 HydrophobicContact CG-CG 4.5Å; K209-E213 WeakPolarHBondContact O-CB 3.21Å; K209-E213 WeakPolarHBondContact O-CG 3.14Å; K209-E213 PolarHBondContact O-N 2.98Å; Y210-E213 PolarHBondContact O-N 2.84Å; E213-A217 VanDerWaalsContact O-CB 3.27Å; E213-A217 WeakPolarHBondContact O-CB 3.3Å; E213-A217 PolarHBondContact O-N 3.21Å |
| 214 | L | 90.3 | Very high | 87.6 | Confident | 40 Ų | 40 | 74.7 Ų | 74.7 | 21% | 0.209 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -70.7 | -41.4 | 175.3 | -75.9 | 169.8 | 0 | 0 | 0 | 112.4 | A146 Y159 D161 Y210 E211 E212 A217 S218 | A146-L214 HydrophobicContact CB-CD2 3.77Å; A146-L214 HydrophobicContact CB-CG 4.1Å; Y159-L214 HydrophobicContact CD1-CD1 4.33Å; Y159-L214 HydrophobicContact CD1-CD2 3.7Å; Y159-L214 HydrophobicContact CE1-CD1 3.95Å; Y159-L214 HydrophobicContact CE1-CD2 3.47Å; Y159-L214 VanDerWaalsContact CE1-CD2 3.47Å; Y159-L214 HydrophobicContact CE1-CG 4.37Å; D161-L214 HydrophobicContact CB-CD1 4.21Å; Y210-L214 WeakPolarHBondContact O-CB 3.49Å; Y210-L214 VanDerWaalsContact O-CG 3.32Å; Y210-L214 WeakPolarHBondContact O-CG 2.88Å; Y210-L214 PolarHBondContact O-N 3.02Å; E211-L214 PolarHBondContact O-N 3.34Å; E212-L214 VanDerWaalsContact C-N 3.26Å; E212-L214 PolarHBondContact O-N 3.29Å; L214-A217 PolarHBondContact O-N 2.92Å; L214-S218 WeakPolarHBondContact O-CB 3.35Å; L214-S218 PolarHBondContact O-N 3.24Å |
| 215 | Q | 90.7 | Very high | 86.1 | Confident | 111 Ų | 111 | 77.1 Ų | 77.1 | 52% | 0.519 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 175.3 | -73.5 | -179.4 | 10.1 | 0 | 0 | 110.9 | E211 E212 A217 S218 Q219 | E211-Q215 WeakPolarHBondContact O-CG 3.35Å; E211-Q215 PolarHBondContact O-N 3.26Å; E212-Q215 PolarHBondContact O-N 3.44Å; E212-Q215 VanDerWaalsContact O-N 3.16Å; Q215-A217 PolarHBondContact O-N 3.16Å; Q215-S218 PolarHBondContact O-N 2.72Å; Q215-S218 PolarHBondContact O-OG 3.22Å; Q215-Q219 PolarHBondContact O-N 2.86Å |
| 216 | V | 91.8 | Very high | 84.1 | Confident | 71 Ų | 71 | 81.4 Ų | 81.4 | 43% | 0.43 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | E212 S218 Q219 T220 | E212-V216 WeakPolarHBondContact O-CG2 3.2Å; E212-V216 PolarHBondContact O-N 2.96Å; V216-S218 VanDerWaalsContact C-N 3.26Å; V216-S218 PolarHBondContact O-N 3.43Å; V216-Q219 PolarHBondContact O-N 3.11Å; V216-Q219 VanDerWaalsContact O-N 3.12Å; V216-T220 PolarHBondContact O-N 3.2Å; V216-T220 PolarHBondContact O-OG1 2.73Å; V216-T220 VanDerWaalsContact O-OG1 3.11Å |
| 217 | A | 88.4 | Confident | 82.2 | Confident | 15 Ų | 15 | 86.6 Ų | 86.6 | 12% | 0.124 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -64.2 | -28.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A146 R153 E213 L214 Q215 Q219 | A146-A217 HydrophobicContact CB-CB 4.23Å; R153-A217 PolarHBondContact NH1-O 3.24Å; R153-A217 VanDerWaalsContact NH1-O 3.1Å; E213-A217 VanDerWaalsContact O-CB 3.27Å; E213-A217 WeakPolarHBondContact O-CB 3.3Å; E213-A217 PolarHBondContact O-N 3.21Å; L214-A217 PolarHBondContact O-N 2.92Å; Q215-A217 PolarHBondContact O-N 3.16Å; A217-Q219 VanDerWaalsContact C-N 3.29Å; A217-Q219 PolarHBondContact O-N 2.9Å |
| 218 | S | 85.9 | Confident | 80.3 | Confident | 65 Ų | 65 | 91.8 Ų | 91.8 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.1 | -27.8 | 175.9 | 77.1 | 0 | 0 | 0 | 0 | 112.9 | L214 Q215 V216 | L214-S218 WeakPolarHBondContact O-CB 3.35Å; L214-S218 PolarHBondContact O-N 3.24Å; Q215-S218 PolarHBondContact O-N 2.72Å; Q215-S218 PolarHBondContact O-OG 3.22Å; V216-S218 VanDerWaalsContact C-N 3.26Å; V216-S218 PolarHBondContact O-N 3.43Å |
| 219 | Q | 86.5 | Confident | 77.5 | Confident | 161 Ų | 161 | 99.8 Ų | 99.8 | 75% | 0.752 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -90.4 | -19.6 | 179.7 | -63.9 | 175.5 | 5.4 | 0 | 0 | 113 | Q215 V216 A217 | Q215-Q219 PolarHBondContact O-N 2.86Å; V216-Q219 PolarHBondContact O-N 3.11Å; V216-Q219 VanDerWaalsContact O-N 3.12Å; A217-Q219 VanDerWaalsContact C-N 3.29Å; A217-Q219 PolarHBondContact O-N 2.9Å |
| 220 | T | 86.4 | Confident | 76.7 | Confident | 74 Ų | 74 | 99.3 Ų | 99.3 | 45% | 0.454 | 53% | 0.528 | S | S | . | . | S | Bend | trans | -68.3 | 143.6 | 174.7 | -48.4 | 0 | 0 | 0 | 0 | 111 | R153 V216 | R153-T220 PolarHBondContact NH1-O 2.78Å; R153-T220 PolarHBondContact NH2-O 2.86Å; V216-T220 PolarHBondContact O-N 3.2Å; V216-T220 PolarHBondContact O-OG1 2.73Å; V216-T220 VanDerWaalsContact O-OG1 3.11Å |
| 221 | A | 84.2 | Confident | 76 | Confident | 83 Ų | 83 | 103.9 Ų | 103.9 | 69% | 0.686 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 150.5 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 222 | L | 80.4 | Confident | 75.1 | Confident | 64 Ų | 64 | 104.7 Ų | 104.7 | 34% | 0.335 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -70.3 | 140 | 171.1 | -69.3 | 172.5 | 0 | 0 | 0 | 108.7 | V150 R153 K154 | V150-L222 HydrophobicContact CB-CD2 3.87Å; V150-L222 HydrophobicContact CG1-CD2 4.09Å; R153-L222 HydrophobicContact CB-CD1 4.15Å; R153-L222 HydrophobicContact CB-CD2 3.87Å; R153-L222 HydrophobicContact CG-CD2 4.47Å; K154-L222 HydrophobicContact CG-CD1 4.37Å |
| 223 | P | 74 | Confident | 74.1 | Confident | 66 Ų | 66 | 103.4 Ų | 103.4 | 43% | 0.429 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 146.6 | 168.5 | 25.6 | -30.9 | 0 | 0 | 0 | 109.9 | ||
| 224 | D | 69.3 | Low | 73 | Confident | 135 Ų | 135 | 106.1 Ų | 106.1 | 72% | 0.722 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 146.9 | -179.9 | -66.6 | -41.5 | 0 | 0 | 0 | 110.8 | E226 D227 | D224-E226 PolarHBondContact O-N 2.83Å; D224-D227 PolarHBondContact O-N 2.97Å |
| 225 | E | 57.9 | Low | 71.8 | Confident | 158 Ų | 158 | 110.5 Ų | 110.5 | 74% | 0.738 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -64 | -13.4 | -173 | -67 | -165.1 | 149.5 | 0 | 0 | 114.2 | D227 | E225-D227 VanDerWaalsContact C-N 3.28Å; E225-D227 PolarHBondContact O-N 2.9Å |
| 226 | E | 49.6 | Very low | 70.4 | Confident | 171 Ų | 171 | 110.4 Ų | 110.4 | 80% | 0.799 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -71.3 | -17 | -178.7 | -65.7 | -171.8 | 165.7 | 0 | 0 | 114 | D224 D228 | D224-E226 PolarHBondContact O-N 2.83Å; E226-D228 VanDerWaalsContact C-N 3.34Å; E226-D228 PolarHBondContact O-N 2.98Å |
| 227 | D | 50.4 | Low | 68.8 | Low | 138 Ų | 138 | 113.5 Ų | 113.5 | 74% | 0.738 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -81.8 | -5.5 | -179.2 | -88.9 | -19.1 | 0 | 0 | 0 | 114.4 | D224 E225 | D224-D227 PolarHBondContact O-N 2.97Å; E225-D227 VanDerWaalsContact C-N 3.28Å; E225-D227 PolarHBondContact O-N 2.9Å |
| 228 | D | 48 | Very low | 67.2 | Low | 121 Ų | 121 | 121.7 Ų | 121.7 | 65% | 0.647 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -100.5 | 11.6 | -177.2 | -81.2 | -34.5 | 0 | 0 | 0 | 113.8 | K154 E226 | K154-D228 IonicContact NZ-OD2 2.72Å; K154-D228 PolarHBondContact NZ-OD2 3.07Å; E226-D228 VanDerWaalsContact C-N 3.34Å; E226-D228 PolarHBondContact O-N 2.98Å |
| 229 | L | 33.6 | Very low | 65.5 | Low | 224 Ų | 224 | 126.8 Ų | 126.8 | 100% | 1.173 | 68% | 0.679 | S | S | * | * | trans | -88.6 | 0 | 174 | -81.2 | 167.1 | 0 | 0 | 0 | 113.4 |
Retrieved 229 of 229 residues in 346.1 ms
(Link to these results)