| 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 | 51 | Low | 67.9 | Low | 239 Ų | 239 | 121 Ų | 121 | 100% | 1.177 | 61% | 0.611 | S | S | * | * | 0 | 113 | 0 | -78.1 | -178.4 | -91.4 | 0 | 0 | 108.8 | S3 | M1-S3 PolarHBondContact O-N 3.27Š| |||
| 2 | A | 54.2 | Low | 68.1 | Low | 49 Ų | 49 | 117.7 Ų | 117.7 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | trans | -56.2 | 129.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | L6 K7 | A2-L6 HydrophobicContact CB-CB 4.48Å; A2-L6 HydrophobicContact CB-CD2 4.01Å; A2-K7 HydrophobicContact CB-CG 4.24Å | ||
| 3 | S | 76.5 | Confident | 68.4 | Low | 71 Ų | 71 | 116.4 Ų | 116.4 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | trans | -57.3 | 148.5 | 179.4 | 85.3 | 0 | 0 | 0 | 0 | 109.6 | M1 F5 L6 K7 | M1-S3 PolarHBondContact O-N 3.27Å; S3-F5 PolarHBondContact O-N 3.15Å; S3-L6 PolarHBondContact O-N 3.17Å; S3-K7 PolarHBondContact O-N 2.98Å | ||
| 4 | R | 73.3 | Confident | 69.1 | Low | 228 Ų | 228 | 119.1 Ų | 119.1 | 86% | 0.86 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -52.8 | -32.2 | -179.6 | -67.4 | -177.8 | 179.1 | -177 | -1.1 | 112 | K7 L8 | R4-K7 PolarHBondContact O-N 3.24Å; R4-L8 WeakPolarHBondContact O-CB 3.31Å; R4-L8 PolarHBondContact O-N 3.08Å |
| 5 | F | 67.5 | Low | 70 | Confident | 170 Ų | 170 | 118.8 Ų | 118.8 | 75% | 0.746 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -63.7 | -40.2 | 174.7 | -76.5 | -83.6 | 0 | 0 | 0 | 114 | S3 L8 S9 | S3-F5 PolarHBondContact O-N 3.15Å; F5-L8 PolarHBondContact O-N 3.34Å; F5-S9 WeakPolarHBondContact O-CB 3.47Å; F5-S9 PolarHBondContact O-N 3.19Å |
| 6 | L | 70.3 | Confident | 70.7 | Confident | 102 Ų | 102 | 119.5 Ų | 119.5 | 53% | 0.534 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68.6 | -41.7 | 178.9 | -162.5 | 78.2 | 0 | 0 | 0 | 111 | A2 S3 L8 S9 V10 | A2-L6 HydrophobicContact CB-CB 4.48Å; A2-L6 HydrophobicContact CB-CD2 4.01Å; S3-L6 PolarHBondContact O-N 3.17Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-L8 PolarHBondContact O-N 3.49Å; L6-S9 PolarHBondContact O-N 2.64Å; L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.35Å; L6-V10 PolarHBondContact O-N 3.31Å |
| 7 | K | 71.7 | Confident | 71.5 | Confident | 140 Ų | 140 | 115.7 Ų | 115.7 | 61% | 0.609 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -61.7 | -43.4 | 175.5 | -65.7 | -175.3 | 179.7 | -175 | 0 | 111.5 | A2 S3 R4 L11 | A2-K7 HydrophobicContact CB-CG 4.24Å; S3-K7 PolarHBondContact O-N 2.98Å; R4-K7 PolarHBondContact O-N 3.24Å; K7-L11 WeakPolarHBondContact O-CB 3.46Å; K7-L11 PolarHBondContact O-N 3.28Å |
| 8 | L | 71.1 | Confident | 72.6 | Confident | 99 Ų | 99 | 113.3 Ų | 113.3 | 52% | 0.518 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -43.5 | 175.9 | -171.8 | 71.5 | 0 | 0 | 0 | 111.9 | R4 F5 L6 L11 L12 | R4-L8 WeakPolarHBondContact O-CB 3.31Å; R4-L8 PolarHBondContact O-N 3.08Å; F5-L8 PolarHBondContact O-N 3.34Å; L6-L8 VanDerWaalsContact C-N 3.35Å; L6-L8 PolarHBondContact O-N 3.49Å; L8-L11 PolarHBondContact O-N 2.98Å; L8-L12 HydrophobicContact CG-CD1 4.08Å; L8-L12 WeakPolarHBondContact O-CB 3.42Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.3Å |
| 9 | S | 69.1 | Low | 73.5 | Confident | 49 Ų | 49 | 112.1 Ų | 112.1 | 34% | 0.343 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.3 | -44.5 | 178.5 | -177.6 | 0 | 0 | 0 | 0 | 112.6 | F5 L6 L11 L12 Q13 | F5-S9 WeakPolarHBondContact O-CB 3.47Å; F5-S9 PolarHBondContact O-N 3.19Å; L6-S9 PolarHBondContact O-N 2.64Å; S9-L11 VanDerWaalsContact C-N 3.34Å; S9-L12 PolarHBondContact O-N 3.05Å; S9-Q13 WeakPolarHBondContact O-CB 3.32Å; S9-Q13 PolarHBondContact O-N 3.28Å |
| 10 | V | 70.7 | Confident | 74.3 | Confident | 86 Ų | 86 | 108.5 Ų | 108.5 | 52% | 0.521 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.8 | 172 | 0 | 0 | 0 | 0 | 111 | L6 Q13 K14 | L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.35Å; L6-V10 PolarHBondContact O-N 3.31Å; V10-Q13 WeakPolarHBondContact O-CB 3.47Å; V10-Q13 PolarHBondContact O-N 3.05Å; V10-K14 WeakPolarHBondContact O-CB 3.49Å; V10-K14 PolarHBondContact O-N 3.36Å |
| 11 | L | 71.3 | Confident | 75.2 | Confident | 98 Ų | 98 | 109.1 Ų | 109.1 | 51% | 0.513 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 176.5 | -165.2 | 139.1 | 0 | 0 | 0 | 111.2 | K7 L8 S9 Q13 K14 Y15 | K7-L11 WeakPolarHBondContact O-CB 3.46Å; K7-L11 PolarHBondContact O-N 3.28Å; L8-L11 PolarHBondContact O-N 2.98Å; S9-L11 VanDerWaalsContact C-N 3.34Å; L11-Q13 VanDerWaalsContact C-N 3.29Å; L11-Q13 PolarHBondContact O-N 3.29Å; L11-K14 PolarHBondContact O-N 3.18Å; L11-Y15 HydrophobicContact CD2-CD2 4.03Å; L11-Y15 HydrophobicContact CG-CD2 3.92Å; L11-Y15 HydrophobicContact CG-CE2 4.09Å; L11-Y15 VanDerWaalsContact O-CD2 3.26Å; L11-Y15 WeakPolarHBondContact O-CD2 3.21Å; L11-Y15 PolarHBondContact O-N 3.46Å |
| 12 | L | 70.8 | Confident | 77.3 | Confident | 81 Ų | 81 | 100.8 Ų | 100.8 | 42% | 0.424 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61 | -36.8 | 174 | -74.4 | 170.9 | 0 | 0 | 0 | 112 | L8 S9 R16 L19 | L8-L12 HydrophobicContact CG-CD1 4.08Å; L8-L12 WeakPolarHBondContact O-CB 3.42Å; L8-L12 VanDerWaalsContact O-CG 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.41Å; L8-L12 PolarHBondContact O-N 3.3Å; S9-L12 PolarHBondContact O-N 3.05Å; L12-R16 WeakPolarHBondContact O-CG 3.38Å; L12-R16 PolarHBondContact O-N 3.47Å; L12-L19 HydrophobicContact CD2-CD2 3.89Å |
| 13 | Q | 71.5 | Confident | 79.2 | Confident | 101 Ų | 101 | 100.9 Ų | 100.9 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -42 | 174 | -94.8 | 178.7 | -38.3 | 0 | 0 | 113.2 | S9 V10 L11 R16 | S9-Q13 WeakPolarHBondContact O-CB 3.32Å; S9-Q13 PolarHBondContact O-N 3.28Å; V10-Q13 WeakPolarHBondContact O-CB 3.47Å; V10-Q13 PolarHBondContact O-N 3.05Å; L11-Q13 VanDerWaalsContact C-N 3.29Å; L11-Q13 PolarHBondContact O-N 3.29Å; Q13-R16 VanDerWaalsContact CG-CZ 3.44Å |
| 14 | K | 79.1 | Confident | 80.1 | Confident | 155 Ų | 155 | 98.7 Ų | 98.7 | 67% | 0.674 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -68.8 | -35.9 | 179.2 | -173.5 | 177 | 178.8 | -176.5 | 0 | 112.4 | V10 L11 | V10-K14 WeakPolarHBondContact O-CB 3.49Å; V10-K14 PolarHBondContact O-N 3.36Å; L11-K14 PolarHBondContact O-N 3.18Å |
| 15 | Y | 81.9 | Confident | 81.3 | Confident | 114 Ų | 114 | 89.5 Ų | 89.5 | 45% | 0.447 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.4 | 22.5 | -174.2 | -63.9 | -74.8 | 0 | 0 | 0 | 114.5 | L11 A17 P18 L19 | L11-Y15 HydrophobicContact CD2-CD2 4.03Å; L11-Y15 HydrophobicContact CG-CD2 3.92Å; L11-Y15 HydrophobicContact CG-CE2 4.09Å; L11-Y15 VanDerWaalsContact O-CD2 3.26Å; L11-Y15 WeakPolarHBondContact O-CD2 3.21Å; L11-Y15 PolarHBondContact O-N 3.46Å; Y15-A17 PolarHBondContact O-N 3.04Å; Y15-P18 HydrophobicContact CD1-CG 4.37Å; Y15-P18 WeakPolarHBondContact O-CD 3.35Å; Y15-L19 WeakPolarHBondContact O-CB 3.37Å; Y15-L19 PolarHBondContact O-N 3.21Å |
| 16 | R | 80.6 | Confident | 82.7 | Confident | 130 Ų | 130 | 83.3 Ų | 83.3 | 49% | 0.491 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -56.3 | -50.7 | -177.7 | -68.3 | -174.4 | 171.9 | 167.2 | -4.3 | 113.8 | L12 Q13 L19 L20 | L12-R16 WeakPolarHBondContact O-CG 3.38Å; L12-R16 PolarHBondContact O-N 3.47Å; Q13-R16 VanDerWaalsContact CG-CZ 3.44Å; R16-L19 PolarHBondContact O-N 2.9Å; R16-L20 WeakPolarHBondContact O-CB 3.39Å; R16-L20 PolarHBondContact O-N 3.48Å |
| 17 | A | 85.4 | Confident | 83.9 | Confident | 55 Ų | 55 | 81 Ų | 81 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -47.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y15 L19 L20 I21 | Y15-A17 PolarHBondContact O-N 3.04Å; A17-L19 VanDerWaalsContact C-N 3.29Å; A17-L19 PolarHBondContact O-N 2.84Å; A17-L20 PolarHBondContact O-N 3.34Å; A17-I21 VanDerWaalsContact O-CG1 3.31Å; A17-I21 WeakPolarHBondContact O-CG1 3.38Å; A17-I21 PolarHBondContact O-N 3.09Å |
| 18 | P | 90.3 | Very high | 85.1 | Confident | 73 Ų | 73 | 77.7 Ų | 77.7 | 47% | 0.474 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -55.9 | -41 | 171.9 | -28.6 | 35.2 | 0 | 0 | 0 | 113.8 | Y15 I21 A22 | Y15-P18 HydrophobicContact CD1-CG 4.37Å; Y15-P18 WeakPolarHBondContact O-CD 3.35Å; P18-I21 PolarHBondContact O-N 2.86Å; P18-A22 VanDerWaalsContact O-CB 3.28Å; P18-A22 WeakPolarHBondContact O-CB 3.49Å; P18-A22 PolarHBondContact O-N 3.35Å |
| 19 | L | 89.8 | Confident | 86.3 | Confident | 90 Ų | 90 | 77.3 Ų | 77.3 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 177.3 | -179.3 | 64.4 | 0 | 0 | 0 | 111.4 | L12 Y15 R16 A17 A22 S23 | L12-L19 HydrophobicContact CD2-CD2 3.89Å; Y15-L19 WeakPolarHBondContact O-CB 3.37Å; Y15-L19 PolarHBondContact O-N 3.21Å; R16-L19 PolarHBondContact O-N 2.9Å; A17-L19 VanDerWaalsContact C-N 3.29Å; A17-L19 PolarHBondContact O-N 2.84Å; L19-A22 PolarHBondContact O-N 3.16Å; L19-S23 WeakPolarHBondContact O-CB 3.12Å; L19-S23 PolarHBondContact O-N 3.38Å; L19-S23 PolarHBondContact O-OG 3.37Å |
| 20 | L | 90.5 | Very high | 87.5 | Confident | 39 Ų | 39 | 78 Ų | 78 | 20% | 0.204 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -61.3 | -46.6 | 177.2 | -180 | 63.5 | 0 | 0 | 0 | 111.3 | R16 A17 A22 S23 C24 L180 W184 | R16-L20 WeakPolarHBondContact O-CB 3.39Å; R16-L20 PolarHBondContact O-N 3.48Å; A17-L20 PolarHBondContact O-N 3.34Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.24Å; L20-S23 PolarHBondContact O-N 3.36Å; L20-C24 WeakPolarHBondContact O-CB 3.26Å; L20-C24 PolarHBondContact O-N 3.25Å; L20-C24 PolarHBondContact O-SG 3.14Å; L20-C24 VanDerWaalsContact O-SG 3.41Å; L20-L180 HydrophobicContact CD1-CD2 4.39Å; L20-L180 HydrophobicContact CD1-CG 4.01Å; L20-W184 HydrophobicContact CD2-CB 3.81Å; L20-W184 HydrophobicContact CD2-CD2 4.06Å; L20-W184 HydrophobicContact CD2-CE3 4.33Å; L20-W184 HydrophobicContact CD2-CG 3.84Å |
| 21 | I | 93.6 | Very high | 88.6 | Confident | 122 Ų | 122 | 76.7 Ų | 76.7 | 63% | 0.626 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -60 | -46.4 | 177.8 | -67.6 | 166.6 | 0 | 0 | 0 | 110.2 | A17 P18 S23 C24 G25 | A17-I21 VanDerWaalsContact O-CG1 3.31Å; A17-I21 WeakPolarHBondContact O-CG1 3.38Å; A17-I21 PolarHBondContact O-N 3.09Å; P18-I21 PolarHBondContact O-N 2.86Å; I21-S23 PolarHBondContact O-N 3.49Å; I21-C24 PolarHBondContact O-N 3.35Å; I21-G25 PolarHBondContact O-N 3.18Å |
| 22 | A | 95.1 | Very high | 89.8 | Confident | 65 Ų | 65 | 72.5 Ų | 72.5 | 54% | 0.537 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | P18 L19 L20 G26 | P18-A22 VanDerWaalsContact O-CB 3.28Å; P18-A22 WeakPolarHBondContact O-CB 3.49Å; P18-A22 PolarHBondContact O-N 3.35Å; L19-A22 PolarHBondContact O-N 3.16Å; L20-A22 VanDerWaalsContact C-N 3.34Å; L20-A22 PolarHBondContact O-N 3.24Å; A22-G26 PolarHBondContact O-N 3.24Å |
| 23 | S | 93.9 | Very high | 90.9 | Very high | 50 Ų | 50 | 74.3 Ų | 74.3 | 35% | 0.35 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.7 | -48.1 | 176.1 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | L19 L20 I21 G25 G26 V27 | L19-S23 WeakPolarHBondContact O-CB 3.12Å; L19-S23 PolarHBondContact O-N 3.38Å; L19-S23 PolarHBondContact O-OG 3.37Å; L20-S23 PolarHBondContact O-N 3.36Å; I21-S23 PolarHBondContact O-N 3.49Å; S23-G25 PolarHBondContact O-N 2.54Å; S23-G26 PolarHBondContact O-N 2.89Å; S23-V27 WeakPolarHBondContact O-CB 3.46Å; S23-V27 VanDerWaalsContact O-CG2 3.3Å; S23-V27 WeakPolarHBondContact O-CG2 3.49Å; S23-V27 PolarHBondContact O-N 3.23Å |
| 24 | C | 95.6 | Very high | 91.8 | Very high | 26 Ų | 26 | 74 Ų | 74 | 18% | 0.176 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.4 | -47.3 | 175.9 | -73.8 | 0 | 0 | 0 | 0 | 111.2 | L20 I21 F28 P177 | L20-C24 WeakPolarHBondContact O-CB 3.26Å; L20-C24 PolarHBondContact O-N 3.25Å; L20-C24 PolarHBondContact O-SG 3.14Å; L20-C24 VanDerWaalsContact O-SG 3.41Å; I21-C24 PolarHBondContact O-N 3.35Å; C24-F28 WeakPolarHBondContact O-CB 3.34Å; C24-F28 PolarHBondContact O-N 3Å; C24-P177 HydrophobicContact CB-CB 4.05Å; C24-P177 PolarHBondContact SG-O 3.17Å |
| 25 | G | 96.9 | Very high | 92.5 | Very high | 34 Ų | 34 | 67.2 Ų | 67.2 | 35% | 0.351 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I21 S23 F28 T29 | I21-G25 PolarHBondContact O-N 3.18Å; S23-G25 PolarHBondContact O-N 2.54Å; G25-F28 PolarHBondContact O-N 2.89Å; G25-T29 VanDerWaalsContact O-CB 3.31Å; G25-T29 WeakPolarHBondContact O-CB 3.45Å; G25-T29 PolarHBondContact O-N 3.08Å; G25-T29 PolarHBondContact O-OG1 3.33Å |
| 26 | G | 96.8 | Very high | 93.1 | Very high | 40 Ų | 40 | 64 Ų | 64 | 41% | 0.412 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.3 | -47.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | A22 S23 T29 A30 | A22-G26 PolarHBondContact O-N 3.24Å; S23-G26 PolarHBondContact O-N 2.89Å; G26-T29 PolarHBondContact O-N 3.13Å; G26-A30 WeakPolarHBondContact O-CB 3.41Å; G26-A30 PolarHBondContact O-N 3.43Å |
| 27 | V | 95.8 | Very high | 93.8 | Very high | 55 Ų | 55 | 63 Ų | 63 | 33% | 0.333 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 177.4 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | S23 A30 N31 A176 P177 | S23-V27 WeakPolarHBondContact O-CB 3.46Å; S23-V27 VanDerWaalsContact O-CG2 3.3Å; S23-V27 WeakPolarHBondContact O-CG2 3.49Å; S23-V27 PolarHBondContact O-N 3.23Å; V27-A30 PolarHBondContact O-N 3.31Å; V27-N31 PolarHBondContact O-N 2.92Å; V27-A176 HydrophobicContact CG1-CB 3.62Å; V27-P177 HydrophobicContact CG1-CG 4.35Å |
| 28 | F | 97.1 | Very high | 94.1 | Very high | 70 Ų | 70 | 60.4 Ų | 60.4 | 31% | 0.307 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -47.9 | 175.8 | -176.2 | -100.6 | 0 | 0 | 0 | 111.4 | C24 G25 A30 N31 M32 V170 A173 A174 P177 | C24-F28 WeakPolarHBondContact O-CB 3.34Å; C24-F28 PolarHBondContact O-N 3Å; G25-F28 PolarHBondContact O-N 2.89Å; F28-A30 PolarHBondContact O-N 3.33Å; F28-N31 PolarHBondContact O-N 2.92Å; F28-M32 HydrophobicContact CD1-CG 4.08Å; F28-M32 HydrophobicContact CD2-CG 4.4Å; F28-M32 HydrophobicContact CE1-CG 3.62Å; F28-M32 HydrophobicContact CE2-CG 3.98Å; F28-M32 HydrophobicContact CG-CG 4.45Å; F28-M32 HydrophobicContact CZ-CG 3.57Å; F28-M32 HydrophobicContact CZ-SD 4.27Å; F28-M32 WeakPolarHBondContact O-CB 3.39Å; F28-M32 WeakPolarHBondContact O-CG 3.31Å; F28-M32 PolarHBondContact O-N 3.39Å; F28-V170 HydrophobicContact CZ-CG1 4.3Å; F28-A173 HydrophobicContact CD2-CB 4.07Å; F28-A173 HydrophobicContact CE2-CB 3.93Å; F28-A174 HydrophobicContact CE2-CB 4.26Å; F28-P177 HydrophobicContact CB-CG 3.71Å; F28-P177 HydrophobicContact CD2-CG 4.28Å |
| 29 | T | 96.4 | Very high | 94.2 | Very high | 90 Ų | 90 | 60.3 Ų | 60.3 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -61.7 | -43.7 | -180 | -57.5 | 0 | 0 | 0 | 0 | 111.2 | G25 G26 N31 M32 F33 | G25-T29 VanDerWaalsContact O-CB 3.31Å; G25-T29 WeakPolarHBondContact O-CB 3.45Å; G25-T29 PolarHBondContact O-N 3.08Å; G25-T29 PolarHBondContact O-OG1 3.33Å; G26-T29 PolarHBondContact O-N 3.13Å; T29-N31 PolarHBondContact O-N 3.01Å; T29-M32 PolarHBondContact O-N 2.82Å; T29-F33 PolarHBondContact O-N 3.2Å |
| 30 | A | 94.9 | Very high | 94.1 | Very high | 65 Ų | 65 | 60 Ų | 60 | 54% | 0.537 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.1 | -44.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G26 V27 F28 M32 F33 | G26-A30 WeakPolarHBondContact O-CB 3.41Å; G26-A30 PolarHBondContact O-N 3.43Å; V27-A30 PolarHBondContact O-N 3.31Å; F28-A30 PolarHBondContact O-N 3.33Å; A30-M32 VanDerWaalsContact C-N 3.34Å; A30-M32 PolarHBondContact O-N 3.4Å; A30-F33 WeakPolarHBondContact O-CB 3.49Å; A30-F33 PolarHBondContact O-N 3.03Å |
| 31 | N | 93.7 | Very high | 94 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 31% | 0.305 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70 | -29.4 | 178.1 | -72.5 | -18.9 | 0 | 0 | 0 | 113.3 | V27 F28 T29 Y34 A173 | V27-N31 PolarHBondContact O-N 2.92Å; F28-N31 PolarHBondContact O-N 2.92Å; T29-N31 PolarHBondContact O-N 3.01Å; N31-Y34 WeakPolarHBondContact O-CE1 3.27Å; N31-A173 HydrophobicContact CB-CB 3.71Å |
| 32 | M | 95.6 | Very high | 93.8 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.049 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -84.9 | -14.5 | 178.4 | -77.9 | -56.6 | -59.5 | 0 | 0 | 113.8 | F28 T29 A30 Y34 H35 V36 V95 V170 A173 | F28-M32 HydrophobicContact CD1-CG 4.08Å; F28-M32 HydrophobicContact CD2-CG 4.4Å; F28-M32 HydrophobicContact CE1-CG 3.62Å; F28-M32 HydrophobicContact CE2-CG 3.98Å; F28-M32 HydrophobicContact CG-CG 4.45Å; F28-M32 HydrophobicContact CZ-CG 3.57Å; F28-M32 HydrophobicContact CZ-SD 4.27Å; F28-M32 WeakPolarHBondContact O-CB 3.39Å; F28-M32 WeakPolarHBondContact O-CG 3.31Å; F28-M32 PolarHBondContact O-N 3.39Å; T29-M32 PolarHBondContact O-N 2.82Å; A30-M32 VanDerWaalsContact C-N 3.34Å; A30-M32 PolarHBondContact O-N 3.4Å; M32-Y34 VanDerWaalsContact C-N 3.34Å; M32-Y34 PolarHBondContact O-N 3.12Å; M32-H35 HydrophobicContact CE-CB 3.85Å; M32-H35 CarbonylContact O-C 3.53Å; M32-H35 WeakPolarHBondContact O-CA 3.33Å; M32-H35 WeakPolarHBondContact O-CB 3.3Å; M32-H35 PolarHBondContact O-N 2.93Å; M32-V36 HydrophobicContact CB-CG2 4.21Å; M32-V36 HydrophobicContact CE-CG2 4.27Å; M32-V36 WeakPolarHBondContact O-CG2 3.25Å; M32-V36 PolarHBondContact O-N 3.4Å; M32-V95 HydrophobicContact CE-CG2 3.76Å; M32-V170 HydrophobicContact CE-CG2 3.87Å; M32-V170 HydrophobicContact SD-CG2 4.21Å; M32-A173 HydrophobicContact CG-CB 3.63Å; M32-A173 HydrophobicContact SD-CB 3.47Å; M32-A173 WeakPolarHBondContact SD-CB 3.41Å |
| 33 | F | 93.8 | Very high | 93.6 | Very high | 119 Ų | 119 | 56 Ų | 56 | 52% | 0.522 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -50.6 | -50.2 | -169.7 | 178.7 | -101.4 | 0 | 0 | 0 | 113.3 | T29 A30 H35 V36 F37 | T29-F33 PolarHBondContact O-N 3.2Å; A30-F33 WeakPolarHBondContact O-CB 3.49Å; A30-F33 PolarHBondContact O-N 3.03Å; F33-H35 PolarHBondContact O-N 3.43Å; F33-V36 PolarHBondContact O-N 2.87Å; F33-F37 HydrophobicContact CD2-CD2 4.09Å; F33-F37 HydrophobicContact CD2-CE2 4.48Å; F33-F37 AromaticContact CE2-CD2 3.99Å; F33-F37 HydrophobicContact CE2-CD2 3.99Å; F33-F37 HydrophobicContact CE2-CE2 4.43Å; F33-F37 PolarHBondContact O-N 3.36Å; F33-F37 VanDerWaalsContact O-N 3.07Å |
| 34 | Y | 91.1 | Very high | 93.3 | Very high | 96 Ų | 96 | 59.9 Ų | 59.9 | 38% | 0.376 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -76.4 | -8.4 | -178 | 62.1 | -85.1 | 0 | 0 | 0 | 114.3 | N31 M32 P38 S41 Y42 | N31-Y34 WeakPolarHBondContact O-CE1 3.27Å; M32-Y34 VanDerWaalsContact C-N 3.34Å; M32-Y34 PolarHBondContact O-N 3.12Å; Y34-P38 WeakPolarHBondContact O-CA 3.39Å; Y34-S41 VanDerWaalsContact CA-OG 3.23Å; Y34-S41 WeakPolarHBondContact CA-OG 3.25Å; Y34-S41 WeakPolarHBondContact CB-OG 3.23Å; Y34-Y42 HydrophobicContact CD2-CD2 4.27Å |
| 35 | H | 94.7 | Very high | 93 | Very high | 11 Ų | 11 | 64.8 Ų | 64.8 | 5% | 0.051 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -98.5 | -23 | 173.1 | -65.2 | -53.7 | 0 | 0 | 0 | 112.7 | M32 F33 A93 G94 V95 P169 | M32-H35 HydrophobicContact CE-CB 3.85Å; M32-H35 CarbonylContact O-C 3.53Å; M32-H35 WeakPolarHBondContact O-CA 3.33Å; M32-H35 WeakPolarHBondContact O-CB 3.3Å; M32-H35 PolarHBondContact O-N 2.93Å; F33-H35 PolarHBondContact O-N 3.43Å; H35-A93 WeakPolarHBondContact ND1-CB 3.2Å; H35-G94 PolarHBondContact ND1-N 3.4Å; H35-G94 VanDerWaalsContact O-CA 3.3Å; H35-G94 WeakPolarHBondContact O-CA 3.34Å; H35-V95 HydrophobicContact CB-CG2 4.45Å; H35-P169 HydrophobicContact CB-CB 4.28Å |
| 36 | V | 94.6 | Very high | 92.7 | Very high | 47 Ų | 47 | 67 Ų | 67 | 29% | 0.285 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -82.1 | -34.2 | 172.6 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | M32 F33 P38 L98 A100 | M32-V36 HydrophobicContact CB-CG2 4.21Å; M32-V36 HydrophobicContact CE-CG2 4.27Å; M32-V36 WeakPolarHBondContact O-CG2 3.25Å; M32-V36 PolarHBondContact O-N 3.4Å; F33-V36 PolarHBondContact O-N 2.87Å; V36-P38 WeakPolarHBondContact O-CD 3.48Å; V36-L98 HydrophobicContact CG2-CD1 4.12Å; V36-A100 WeakPolarHBondContact O-CB 3.29Å |
| 37 | F | 93.8 | Very high | 92.5 | Very high | 109 Ų | 109 | 65.5 Ų | 65.5 | 48% | 0.478 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -123.9 | 59.6 | -179.5 | -53.2 | -74.7 | 0 | 0 | 0 | 112.2 | F33 D39 S40 S41 | F33-F37 HydrophobicContact CD2-CD2 4.09Å; F33-F37 HydrophobicContact CD2-CE2 4.48Å; F33-F37 AromaticContact CE2-CD2 3.99Å; F33-F37 HydrophobicContact CE2-CD2 3.99Å; F33-F37 HydrophobicContact CE2-CE2 4.43Å; F33-F37 PolarHBondContact O-N 3.36Å; F33-F37 VanDerWaalsContact O-N 3.07Å; F37-D39 VanDerWaalsContact C-N 3.33Å; F37-D39 PolarHBondContact O-N 3.4Å; F37-S40 PolarHBondContact O-N 3.45Å; F37-S41 PolarHBondContact O-N 2.92Å; F37-S41 PolarHBondContact O-OG 3.47Å |
| 38 | P | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -35.7 | -173.4 | 25 | -34.3 | 0 | 0 | 0 | 113.3 | Y34 V36 S40 S41 Y42 R43 A100 Q103 | Y34-P38 WeakPolarHBondContact O-CA 3.39Å; V36-P38 WeakPolarHBondContact O-CD 3.48Å; P38-S40 PolarHBondContact O-N 2.84Å; P38-S41 PolarHBondContact O-N 2.79Å; P38-Y42 PolarHBondContact O-N 2.97Å; P38-R43 WeakPolarHBondContact O-CB 3.35Å; P38-R43 PolarHBondContact O-N 3.36Å; P38-A100 HydrophobicContact CG-CB 4.21Å; P38-Q103 HydrophobicContact CB-CG 4.09Å; P38-Q103 HydrophobicContact CG-CG 4.08Å |
| 39 | D | 91 | Very high | 91.9 | Very high | 72 Ų | 72 | 66.6 Ų | 66.6 | 39% | 0.385 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -43.3 | 178.3 | -78 | -53.8 | 0 | 0 | 0 | 113.3 | F37 S41 R43 Q103 | F37-D39 VanDerWaalsContact C-N 3.33Å; F37-D39 PolarHBondContact O-N 3.4Å; D39-S41 VanDerWaalsContact C-N 3.32Å; D39-S41 PolarHBondContact O-N 3.29Å; D39-R43 WeakPolarHBondContact OD1-CD 3.48Å; D39-R43 IonicContact OD1-NH1 3.13Å; D39-R43 PolarHBondContact OD1-NH1 3.45Å; D39-R43 VanDerWaalsContact OD1-NH1 3.13Å; D39-Q103 PolarHBondContact OD1-NE2 2.95Å; D39-Q103 PolarHBondContact OD2-NE2 3.37Å |
| 40 | S | 88.9 | Confident | 91.3 | Very high | 82 Ų | 82 | 67.9 Ų | 67.9 | 57% | 0.573 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -6.3 | -176 | -51.9 | 0 | 0 | 0 | 0 | 113.7 | F37 P38 | F37-S40 PolarHBondContact O-N 3.45Å; P38-S40 PolarHBondContact O-N 2.84Å |
| 41 | S | 89 | Confident | 90.9 | Very high | 27 Ų | 27 | 73.8 Ų | 73.8 | 19% | 0.189 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | -77 | -174.3 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | Y34 F37 P38 D39 R43 Q44 L45 | Y34-S41 VanDerWaalsContact CA-OG 3.23Å; Y34-S41 WeakPolarHBondContact CA-OG 3.25Å; Y34-S41 WeakPolarHBondContact CB-OG 3.23Å; F37-S41 PolarHBondContact O-N 2.92Å; F37-S41 PolarHBondContact O-OG 3.47Å; P38-S41 PolarHBondContact O-N 2.79Å; D39-S41 VanDerWaalsContact C-N 3.32Å; D39-S41 PolarHBondContact O-N 3.29Å; S41-R43 PolarHBondContact O-N 3.47Å; S41-Q44 PolarHBondContact O-N 2.97Å; S41-L45 PolarHBondContact O-N 2.97Å |
| 42 | Y | 88.9 | Confident | 90.5 | Very high | 27 Ų | 27 | 73.9 Ų | 73.9 | 11% | 0.106 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.6 | -46.4 | -175.2 | -171.1 | -98.1 | 0 | 0 | 0 | 112.8 | Y34 P38 Q44 L45 Y46 F83 V91 G92 A93 | Y34-Y42 HydrophobicContact CD2-CD2 4.27Å; P38-Y42 PolarHBondContact O-N 2.97Å; Y42-Q44 PolarHBondContact O-N 3.43Å; Y42-L45 PolarHBondContact O-N 2.93Å; Y42-Y46 HydrophobicContact CD1-CD2 4.16Å; Y42-Y46 AromaticContact CD2-CD2 3.89Å; Y42-Y46 HydrophobicContact CD2-CD2 3.89Å; Y42-Y46 AromaticContact CD2-CE2 3.84Å; Y42-Y46 HydrophobicContact CD2-CE2 3.84Å; Y42-Y46 AromaticContact CE1-CD2 3.91Å; Y42-Y46 HydrophobicContact CE1-CD2 3.91Å; Y42-Y46 HydrophobicContact CE1-CE2 4.46Å; Y42-Y46 AromaticContact CE2-CD2 3.61Å; Y42-Y46 HydrophobicContact CE2-CD2 3.61Å; Y42-Y46 AromaticContact CE2-CE2 3.36Å; Y42-Y46 HydrophobicContact CE2-CE2 3.36Å; Y42-Y46 HydrophobicContact CG-CD2 4.16Å; Y42-Y46 AromaticContact CZ-CD2 3.64Å; Y42-Y46 AromaticContact CZ-CE2 3.73Å; Y42-Y46 WeakPolarHBondContact O-CD2 3.28Å; Y42-Y46 PolarHBondContact O-N 3.49Å; Y42-Y46 VanDerWaalsContact O-N 3.13Å; Y42-F83 HydrophobicContact CD1-CZ 4.42Å; Y42-F83 HydrophobicContact CE1-CZ 4.36Å; Y42-V91 HydrophobicContact CE1-CG2 4.11Å; Y42-V91 VanDerWaalsContact OH-C 3.32Å; Y42-V91 WeakPolarHBondContact OH-CB 3.28Å; Y42-V91 WeakPolarHBondContact OH-CG2 3.39Å; Y42-G92 PolarHBondContact OH-N 2.94Å; Y42-G92 PolarHBondContact OH-O 3.48Å; Y42-A93 HydrophobicContact CD1-CB 3.42Å; Y42-A93 VanDerWaalsContact CD1-CB 3.42Å; Y42-A93 HydrophobicContact CD2-CB 3.48Å; Y42-A93 VanDerWaalsContact CD2-CB 3.48Å; Y42-A93 HydrophobicContact CE1-CB 3.69Å; Y42-A93 HydrophobicContact CE2-CB 3.75Å; Y42-A93 HydrophobicContact CG-CB 3.27Å |
| 43 | R | 90.6 | Very high | 90.3 | Very high | 88 Ų | 88 | 79.9 Ų | 79.9 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.6 | -43.4 | -179.8 | -171.5 | 175.1 | 179 | 172.7 | 1.7 | 111.5 | P38 D39 S41 L45 Y46 Q47 F83 | P38-R43 WeakPolarHBondContact O-CB 3.35Å; P38-R43 PolarHBondContact O-N 3.36Å; D39-R43 WeakPolarHBondContact OD1-CD 3.48Å; D39-R43 IonicContact OD1-NH1 3.13Å; D39-R43 PolarHBondContact OD1-NH1 3.45Å; D39-R43 VanDerWaalsContact OD1-NH1 3.13Å; S41-R43 PolarHBondContact O-N 3.47Å; R43-L45 PolarHBondContact O-N 3.38Å; R43-Y46 PolarHBondContact O-N 3.23Å; R43-Q47 HydrophobicContact CG-CB 4.44Å; R43-Q47 WeakPolarHBondContact O-CA 3.23Å; R43-Q47 WeakPolarHBondContact O-CB 3.43Å; R43-Q47 PolarHBondContact O-N 2.97Å; R43-F83 HydrophobicContact CG-CD1 4.43Å; R43-F83 HydrophobicContact CG-CD2 4.22Å; R43-F83 HydrophobicContact CG-CE1 4.5Å; R43-F83 HydrophobicContact CG-CE2 4.3Å; R43-F83 HydrophobicContact CG-CG 4.3Å; R43-F83 HydrophobicContact CG-CZ 4.44Å |
| 44 | Q | 88.3 | Confident | 90.1 | Very high | 132 Ų | 132 | 77 Ų | 77 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.7 | -36.4 | 177.4 | -66.5 | -171 | -4.4 | 0 | 0 | 112.6 | S41 Y42 | S41-Q44 PolarHBondContact O-N 2.97Å; Y42-Q44 PolarHBondContact O-N 3.43Å |
| 45 | L | 88.3 | Confident | 90.1 | Very high | 129 Ų | 129 | 74.4 Ų | 74.4 | 68% | 0.675 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -71.9 | -38.1 | 179.4 | -177.6 | 62.3 | 0 | 0 | 0 | 113.1 | S41 Y42 R43 | S41-L45 PolarHBondContact O-N 2.97Å; Y42-L45 PolarHBondContact O-N 2.93Å; R43-L45 PolarHBondContact O-N 3.38Å |
| 46 | Y | 91.3 | Very high | 90 | Very high | 81 Ų | 81 | 79.9 Ų | 79.9 | 32% | 0.318 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -105.8 | -9.9 | -172.3 | -73.2 | -77.8 | 0 | 0 | 0 | 114.6 | Y42 R43 A48 S85 F86 V91 | Y42-Y46 HydrophobicContact CD1-CD2 4.16Å; Y42-Y46 AromaticContact CD2-CD2 3.89Å; Y42-Y46 HydrophobicContact CD2-CD2 3.89Å; Y42-Y46 AromaticContact CD2-CE2 3.84Å; Y42-Y46 HydrophobicContact CD2-CE2 3.84Å; Y42-Y46 AromaticContact CE1-CD2 3.91Å; Y42-Y46 HydrophobicContact CE1-CD2 3.91Å; Y42-Y46 HydrophobicContact CE1-CE2 4.46Å; Y42-Y46 AromaticContact CE2-CD2 3.61Å; Y42-Y46 HydrophobicContact CE2-CD2 3.61Å; Y42-Y46 AromaticContact CE2-CE2 3.36Å; Y42-Y46 HydrophobicContact CE2-CE2 3.36Å; Y42-Y46 HydrophobicContact CG-CD2 4.16Å; Y42-Y46 AromaticContact CZ-CD2 3.64Å; Y42-Y46 AromaticContact CZ-CE2 3.73Å; Y42-Y46 WeakPolarHBondContact O-CD2 3.28Å; Y42-Y46 PolarHBondContact O-N 3.49Å; Y42-Y46 VanDerWaalsContact O-N 3.13Å; R43-Y46 PolarHBondContact O-N 3.23Å; Y46-A48 PolarHBondContact O-N 3.05Å; Y46-S85 CarbonylContact O-C 3.44Å; Y46-S85 WeakPolarHBondContact O-CA 3.49Å; Y46-S85 WeakPolarHBondContact O-CB 3.46Å; Y46-F86 PolarHBondContact O-N 2.57Å; Y46-V91 HydrophobicContact CD1-CG1 4.44Å; Y46-V91 HydrophobicContact CD1-CG2 3.91Å; Y46-V91 HydrophobicContact CD2-CG2 4.5Å; Y46-V91 HydrophobicContact CE1-CG1 4.35Å; Y46-V91 HydrophobicContact CE1-CG2 4.46Å; Y46-V91 HydrophobicContact CG-CG2 3.93Å |
| 47 | Q | 93.1 | Very high | 90 | Very high | 9 Ų | 9 | 78.7 Ų | 78.7 | 4% | 0.042 | 40% | 0.401 | C | S | . | . | B | Isolated β-bridge | trans | -59.4 | 134.7 | -179.4 | 176.3 | 66.9 | 59.3 | 0 | 0 | 110.4 | R43 W49 P54 V55 A84 | R43-Q47 HydrophobicContact CG-CB 4.44Å; R43-Q47 WeakPolarHBondContact O-CA 3.23Å; R43-Q47 WeakPolarHBondContact O-CB 3.43Å; R43-Q47 PolarHBondContact O-N 2.97Å; Q47-W49 HydrophobicContact CB-CZ2 4.25Å; Q47-W49 HydrophobicContact CG-CD2 4.34Å; Q47-W49 HydrophobicContact CG-CZ2 3.97Å; Q47-W49 PolarHBondContact O-NE1 3.42Å; Q47-P54 HydrophobicContact CG-CB 4.03Å; Q47-V55 PolarHBondContact NE2-O 2.85Å; Q47-V55 VanDerWaalsContact NE2-O 3.11Å; Q47-A84 PolarHBondContact NE2-O 3.21Å |
| 48 | A | 90.4 | Very high | 90 | Very high | 6 Ų | 6 | 75.2 Ų | 75.2 | 5% | 0.05 | 39% | 0.39 | C | S | . | . | trans | -75.7 | 134.7 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | Y46 V55 A84 | Y46-A48 PolarHBondContact O-N 3.05Å; A48-V55 HydrophobicContact CB-CB 4.03Å; A48-V55 HydrophobicContact CB-CG2 4.15Å; A48-V55 PolarHBondContact O-N 3.25Å; A48-A84 HydrophobicContact CB-CB 4.21Å; A48-A84 WeakPolarHBondContact CB-O 3.25Å; A48-A84 PolarHBondContact N-O 3.2Å | ||
| 49 | W | 88.9 | Confident | 90.1 | Very high | 141 Ų | 141 | 83.6 Ų | 83.6 | 53% | 0.534 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.9 | -179.6 | -60.1 | 88.4 | 0 | 0 | 0 | 110.5 | Q47 E53 P54 | Q47-W49 HydrophobicContact CB-CZ2 4.25Å; Q47-W49 HydrophobicContact CG-CD2 4.34Å; Q47-W49 HydrophobicContact CG-CZ2 3.97Å; Q47-W49 PolarHBondContact O-NE1 3.42Å; W49-E53 WeakPolarHBondContact CA-O 3.48Å; W49-E53 VanDerWaalsContact CE3-C 3.49Å; W49-P54 HydrophobicContact CE3-CG 4.11Å; W49-P54 HydrophobicContact CH2-CG 3.9Å; W49-P54 HydrophobicContact CZ3-CB 4.37Å; W49-P54 HydrophobicContact CZ3-CG 3.54Å |
| 50 | H | 84.5 | Confident | 90.3 | Very high | 118 Ų | 118 | 84.2 Ų | 84.2 | 55% | 0.546 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 120.9 | 172.7 | 174.8 | -97.2 | 0 | 0 | 0 | 109.1 | G52 E53 V55 | H50-G52 PolarHBondContact O-N 3.21Å; H50-E53 PolarHBondContact N-O 2.83Å; H50-E53 PolarHBondContact O-N 3.2Å; H50-E53 VanDerWaalsContact O-N 3.14Å; H50-V55 HydrophobicContact CB-CG2 3.64Å |
| 51 | K | 86.7 | Confident | 90.7 | Very high | 189 Ų | 189 | 80.3 Ų | 80.3 | 82% | 0.822 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 38.9 | -176.8 | -60.9 | -179.3 | 179.3 | -178.4 | 0 | 113.8 | E53 | K51-E53 VanDerWaalsContact C-N 3.27Å; K51-E53 PolarHBondContact O-N 3.46Å |
| 52 | G | 85.3 | Confident | 91 | Very high | 59 Ų | 59 | 82.2 Ų | 82.2 | 61% | 0.608 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | -7.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115 | H50 | H50-G52 PolarHBondContact O-N 3.21Š|
| 53 | E | 89.4 | Confident | 91.4 | Very high | 136 Ų | 136 | 84.6 Ų | 84.6 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 147 | -179.3 | -68.4 | -61.6 | 151 | 0 | 0 | 112.2 | W49 H50 K51 V55 | W49-E53 WeakPolarHBondContact CA-O 3.48Å; W49-E53 VanDerWaalsContact CE3-C 3.49Å; H50-E53 PolarHBondContact N-O 2.83Å; H50-E53 PolarHBondContact O-N 3.2Å; H50-E53 VanDerWaalsContact O-N 3.14Å; K51-E53 VanDerWaalsContact C-N 3.27Å; K51-E53 PolarHBondContact O-N 3.46Å; E53-V55 PolarHBondContact O-N 2.97Å |
| 54 | P | 90.8 | Very high | 91.7 | Very high | 59 Ų | 59 | 81.3 Ų | 81.3 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 128.3 | 172.9 | -17.8 | 29.9 | 0 | 0 | 0 | 110.8 | Q47 W49 V56 | Q47-P54 HydrophobicContact CG-CB 4.03Å; W49-P54 HydrophobicContact CE3-CG 4.11Å; W49-P54 HydrophobicContact CH2-CG 3.9Å; W49-P54 HydrophobicContact CZ3-CB 4.37Å; W49-P54 HydrophobicContact CZ3-CG 3.54Å; P54-V56 PolarHBondContact O-N 2.84Å |
| 55 | V | 91.1 | Very high | 92.2 | Very high | 40 Ų | 40 | 75 Ų | 75 | 24% | 0.242 | 39% | 0.388 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 128.4 | 172.6 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | Q47 A48 H50 E53 A84 | Q47-V55 PolarHBondContact NE2-O 2.85Å; Q47-V55 VanDerWaalsContact NE2-O 3.11Å; A48-V55 HydrophobicContact CB-CB 4.03Å; A48-V55 HydrophobicContact CB-CG2 4.15Å; A48-V55 PolarHBondContact O-N 3.25Å; H50-V55 HydrophobicContact CB-CG2 3.64Å; E53-V55 PolarHBondContact O-N 2.97Å; V55-A84 HydrophobicContact CB-CB 4.19Å; V55-A84 HydrophobicContact CG1-CB 4.06Å; V55-A84 WeakPolarHBondContact O-CB 3.33Å |
| 56 | V | 92.8 | Very high | 92.7 | Very high | 127 Ų | 127 | 72.8 Ų | 72.8 | 77% | 0.77 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 141.6 | 173.6 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | P54 | P54-V56 PolarHBondContact O-N 2.84Š|
| 57 | L | 94 | Very high | 92.9 | Very high | 22 Ų | 22 | 72.5 Ų | 72.5 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 137.4 | 174.3 | -168 | 69 | 0 | 0 | 0 | 109.5 | L61 E62 A82 A84 I106 | L57-L61 HydrophobicContact CD1-CB 3.76Å; L57-L61 HydrophobicContact CD1-CD1 3.86Å; L57-L61 HydrophobicContact CD1-CG 4.48Å; L57-L61 HydrophobicContact CD2-CB 4.19Å; L57-L61 HydrophobicContact CG-CB 3.86Å; L57-E62 HydrophobicContact CD2-CB 4.37Å; L57-E62 WeakPolarHBondContact CD2-OE2 3.29Å; L57-A82 HydrophobicContact CD2-CB 3.64Å; L57-A84 HydrophobicContact CD1-CB 4.28Å; L57-I106 HydrophobicContact CD1-CB 4.02Å; L57-I106 HydrophobicContact CD2-CD1 4.16Å |
| 58 | S | 94 | Very high | 93.2 | Very high | 35 Ų | 35 | 72.1 Ų | 72.1 | 25% | 0.245 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -68 | 151.5 | 179 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | K60 L61 E62 N111 | S58-K60 PolarHBondContact O-N 2.98Å; S58-L61 PolarHBondContact O-N 3.45Å; S58-L61 VanDerWaalsContact OG-CG 3.29Å; S58-L61 WeakPolarHBondContact OG-CG 3.22Å; S58-L61 PolarHBondContact OG-N 3.32Å; S58-E62 PolarHBondContact O-N 3.32Å; S58-N111 WeakPolarHBondContact CB-OD1 3.42Å; S58-N111 PolarHBondContact OG-OD1 3.31Å |
| 59 | E | 95.7 | Very high | 93.5 | Very high | 177 Ų | 177 | 71.9 Ų | 71.9 | 83% | 0.827 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -56.6 | -36.1 | 177.6 | -64.4 | -179.3 | 176.5 | 0 | 0 | 112.5 | S63 | E59-S63 VanDerWaalsContact O-CB 3.27Å; E59-S63 WeakPolarHBondContact O-CB 3.36Å; E59-S63 PolarHBondContact O-N 3.38Å |
| 60 | K | 94.8 | Very high | 93.9 | Very high | 84 Ų | 84 | 73.3 Ų | 73.3 | 37% | 0.365 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56.1 | -51.7 | 173.4 | -179.3 | -166.6 | 178.3 | -164.6 | 0 | 111.1 | S58 S63 V64 F110 N111 | S58-K60 PolarHBondContact O-N 2.98Å; K60-S63 PolarHBondContact O-N 2.99Å; K60-V64 WeakPolarHBondContact O-CG2 3.49Å; K60-V64 PolarHBondContact O-N 3.35Å; K60-F110 PolarHBondContact NZ-O 3.5Å; K60-N111 PolarHBondContact NZ-O 2.92Å |
| 61 | L | 96 | Very high | 94.4 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -74.8 | -34.1 | -175.3 | -64.2 | 179.6 | 0 | 0 | 0 | 112.1 | L57 S58 S63 V64 F65 I106 F110 | L57-L61 HydrophobicContact CD1-CB 3.76Å; L57-L61 HydrophobicContact CD1-CD1 3.86Å; L57-L61 HydrophobicContact CD1-CG 4.48Å; L57-L61 HydrophobicContact CD2-CB 4.19Å; L57-L61 HydrophobicContact CG-CB 3.86Å; S58-L61 PolarHBondContact O-N 3.45Å; S58-L61 VanDerWaalsContact OG-CG 3.29Å; S58-L61 WeakPolarHBondContact OG-CG 3.22Å; S58-L61 PolarHBondContact OG-N 3.32Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-V64 PolarHBondContact O-N 3.44Å; L61-F65 WeakPolarHBondContact O-CB 3.48Å; L61-F65 PolarHBondContact O-N 2.84Å; L61-I106 HydrophobicContact CB-CG2 4.44Å; L61-I106 HydrophobicContact CD1-CG2 3.98Å; L61-I106 HydrophobicContact CD2-CG2 4.3Å; L61-I106 HydrophobicContact CG-CG2 4.47Å; L61-F110 HydrophobicContact CD1-CB 4.22Å; L61-F110 HydrophobicContact CD2-CB 3.45Å; L61-F110 VanDerWaalsContact CD2-CB 3.45Å; L61-F110 HydrophobicContact CG-CB 4.49Å |
| 62 | E | 96.9 | Very high | 94.7 | Very high | 67 Ų | 67 | 63.9 Ų | 63.9 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 170.2 | -171.8 | 62.7 | -142.6 | 0 | 0 | 110.3 | L57 S58 V64 F65 Q66 | L57-E62 HydrophobicContact CD2-CB 4.37Å; L57-E62 WeakPolarHBondContact CD2-OE2 3.29Å; S58-E62 PolarHBondContact O-N 3.32Å; E62-V64 PolarHBondContact O-N 2.99Å; E62-F65 WeakPolarHBondContact O-CB 3.34Å; E62-F65 PolarHBondContact O-N 2.98Å; E62-Q66 VanDerWaalsContact O-CG 3.31Å; E62-Q66 WeakPolarHBondContact O-CG 3.44Å; E62-Q66 PolarHBondContact O-N 3.48Å; E62-Q66 PolarHBondContact OE1-NE2 3.46Å |
| 63 | S | 97.1 | Very high | 95.1 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 54% | 0.538 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.6 | -178.5 | 0 | 0 | 0 | 0 | 112.6 | E59 K60 L61 F65 Q66 Q67 | E59-S63 VanDerWaalsContact O-CB 3.27Å; E59-S63 WeakPolarHBondContact O-CB 3.36Å; E59-S63 PolarHBondContact O-N 3.38Å; K60-S63 PolarHBondContact O-N 2.99Å; L61-S63 VanDerWaalsContact C-N 3.34Å; S63-F65 VanDerWaalsContact C-N 3.33Å; S63-F65 PolarHBondContact O-N 3.17Å; S63-Q66 PolarHBondContact O-N 3.36Å; S63-Q67 WeakPolarHBondContact O-CB 3.23Å; S63-Q67 PolarHBondContact O-N 2.77Å |
| 64 | V | 97.3 | Very high | 95.3 | Very high | 18 Ų | 18 | 58.3 Ų | 58.3 | 11% | 0.109 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.3 | -43 | 175.1 | 174.1 | 0 | 0 | 0 | 0 | 111 | K60 L61 E62 Q67 V68 K154 I157 | K60-V64 WeakPolarHBondContact O-CG2 3.49Å; K60-V64 PolarHBondContact O-N 3.35Å; L61-V64 PolarHBondContact O-N 3.44Å; E62-V64 PolarHBondContact O-N 2.99Å; V64-Q67 PolarHBondContact O-N 3.42Å; V64-V68 VanDerWaalsContact O-CG2 3.3Å; V64-V68 WeakPolarHBondContact O-CG2 3.34Å; V64-V68 PolarHBondContact O-N 3.41Å; V64-K154 HydrophobicContact CG1-CG 3.94Å; V64-I157 HydrophobicContact CG1-CD1 3.75Å |
| 65 | F | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -49.7 | 177.2 | 172.7 | -112.9 | 0 | 0 | 0 | 112.1 | L61 E62 S63 Q67 V68 L69 F80 A82 I104 I106 I157 | L61-F65 WeakPolarHBondContact O-CB 3.48Å; L61-F65 PolarHBondContact O-N 2.84Å; E62-F65 WeakPolarHBondContact O-CB 3.34Å; E62-F65 PolarHBondContact O-N 2.98Å; S63-F65 VanDerWaalsContact C-N 3.33Å; S63-F65 PolarHBondContact O-N 3.17Å; F65-Q67 VanDerWaalsContact C-N 3.3Å; F65-Q67 PolarHBondContact O-N 2.74Å; F65-V68 WeakPolarHBondContact O-CB 3.31Å; F65-V68 PolarHBondContact O-N 3.31Å; F65-V68 VanDerWaalsContact O-N 3.12Å; F65-L69 HydrophobicContact CD1-CD1 4.26Å; F65-L69 HydrophobicContact CE1-CD1 3.68Å; F65-L69 HydrophobicContact CE1-CG 4.41Å; F65-L69 HydrophobicContact CE2-CD1 4.24Å; F65-L69 HydrophobicContact CE2-CD2 4.16Å; F65-L69 HydrophobicContact CE2-CG 4.19Å; F65-L69 HydrophobicContact CZ-CD1 3.7Å; F65-L69 HydrophobicContact CZ-CD2 4.28Å; F65-L69 HydrophobicContact CZ-CG 4.16Å; F65-L69 WeakPolarHBondContact O-CG 3.34Å; F65-L69 PolarHBondContact O-N 2.99Å; F65-F80 HydrophobicContact CZ-CB 3.92Å; F65-A82 HydrophobicContact CB-CB 4.32Å; F65-A82 HydrophobicContact CD1-CB 3.58Å; F65-A82 HydrophobicContact CD2-CB 4.01Å; F65-A82 HydrophobicContact CE1-CB 3.73Å; F65-A82 HydrophobicContact CE2-CB 4.15Å; F65-A82 HydrophobicContact CG-CB 3.71Å; F65-A82 HydrophobicContact CZ-CB 3.98Å; F65-I104 HydrophobicContact CE2-CB 4.35Å; F65-I104 HydrophobicContact CE2-CD1 4.12Å; F65-I106 HydrophobicContact CB-CD1 3.92Å; F65-I106 HydrophobicContact CD2-CD1 4.35Å; F65-I106 HydrophobicContact CG-CD1 4.38Å; F65-I157 HydrophobicContact CD2-CG2 3.88Å |
| 66 | Q | 97.6 | Very high | 94.9 | Very high | 82 Ų | 82 | 62.1 Ų | 62.1 | 38% | 0.383 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 177.4 | -65 | -56.7 | -31 | 0 | 0 | 111.9 | E62 S63 L69 K70 | E62-Q66 VanDerWaalsContact O-CG 3.31Å; E62-Q66 WeakPolarHBondContact O-CG 3.44Å; E62-Q66 PolarHBondContact O-N 3.48Å; E62-Q66 PolarHBondContact OE1-NE2 3.46Å; S63-Q66 PolarHBondContact O-N 3.36Å; Q66-L69 PolarHBondContact O-N 3.47Å; Q66-K70 WeakPolarHBondContact O-CB 3.28Å; Q66-K70 PolarHBondContact O-N 2.86Å |
| 67 | Q | 97.2 | Very high | 94.8 | Very high | 76 Ų | 76 | 57.9 Ų | 57.9 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.2 | -46 | 172.7 | 177.1 | 165.6 | 22.9 | 0 | 0 | 111.3 | S63 V64 F65 L69 K70 D71 K154 | S63-Q67 WeakPolarHBondContact O-CB 3.23Å; S63-Q67 PolarHBondContact O-N 2.77Å; V64-Q67 PolarHBondContact O-N 3.42Å; F65-Q67 VanDerWaalsContact C-N 3.3Å; F65-Q67 PolarHBondContact O-N 2.74Å; Q67-L69 VanDerWaalsContact C-N 3.35Å; Q67-L69 PolarHBondContact O-N 2.89Å; Q67-K70 WeakPolarHBondContact O-CB 3.35Å; Q67-K70 PolarHBondContact O-N 2.88Å; Q67-D71 VanDerWaalsContact CG-OD2 3.32Å; Q67-D71 WeakPolarHBondContact CG-OD2 3.14Å; Q67-D71 WeakPolarHBondContact O-CB 3.29Å; Q67-D71 PolarHBondContact O-N 3.19Å; Q67-K154 VanDerWaalsContact CD-CE 3.5Å |
| 68 | V | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -43.8 | 177.5 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | V64 F65 K70 D71 F72 K154 I157 A158 V161 Y245 | V64-V68 VanDerWaalsContact O-CG2 3.3Å; V64-V68 WeakPolarHBondContact O-CG2 3.34Å; V64-V68 PolarHBondContact O-N 3.41Å; F65-V68 WeakPolarHBondContact O-CB 3.31Å; F65-V68 PolarHBondContact O-N 3.31Å; F65-V68 VanDerWaalsContact O-N 3.12Å; V68-K70 VanDerWaalsContact C-N 3.29Å; V68-K70 PolarHBondContact O-N 3.08Å; V68-D71 PolarHBondContact O-N 3.45Å; V68-F72 VanDerWaalsContact O-CB 3.26Å; V68-F72 WeakPolarHBondContact O-CB 3.2Å; V68-F72 PolarHBondContact O-N 2.81Å; V68-K154 HydrophobicContact CG2-CB 4.1Å; V68-K154 HydrophobicContact CG2-CG 4.1Å; V68-I157 HydrophobicContact CB-CG2 4.13Å; V68-I157 HydrophobicContact CG1-CG2 3.95Å; V68-I157 HydrophobicContact CG2-CB 4.23Å; V68-I157 HydrophobicContact CG2-CG2 4.17Å; V68-A158 HydrophobicContact CG1-CB 3.71Å; V68-V161 HydrophobicContact CG1-CG2 4.18Å; V68-Y245 HydrophobicContact CG2-CE1 4.45Å; V68-Y245 WeakPolarHBondContact CG2-OH 3.49Å |
| 69 | L | 97.6 | Very high | 94.8 | Very high | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.8 | -39.9 | 177.1 | -65.5 | -178.3 | 0 | 0 | 0 | 112 | F65 Q66 Q67 G73 I74 A77 F80 V161 | F65-L69 HydrophobicContact CD1-CD1 4.26Å; F65-L69 HydrophobicContact CE1-CD1 3.68Å; F65-L69 HydrophobicContact CE1-CG 4.41Å; F65-L69 HydrophobicContact CE2-CD1 4.24Å; F65-L69 HydrophobicContact CE2-CD2 4.16Å; F65-L69 HydrophobicContact CE2-CG 4.19Å; F65-L69 HydrophobicContact CZ-CD1 3.7Å; F65-L69 HydrophobicContact CZ-CD2 4.28Å; F65-L69 HydrophobicContact CZ-CG 4.16Å; F65-L69 WeakPolarHBondContact O-CG 3.34Å; F65-L69 PolarHBondContact O-N 2.99Å; Q66-L69 PolarHBondContact O-N 3.47Å; Q67-L69 VanDerWaalsContact C-N 3.35Å; Q67-L69 PolarHBondContact O-N 2.89Å; L69-G73 PolarHBondContact O-N 3.29Å; L69-I74 HydrophobicContact CD2-CG1 4.07Å; L69-I74 PolarHBondContact O-N 2.87Å; L69-I74 VanDerWaalsContact O-N 3.08Å; L69-A77 HydrophobicContact CD1-CB 4.09Å; L69-F80 HydrophobicContact CD1-CB 3.94Å; L69-F80 HydrophobicContact CD2-CB 3.93Å; L69-F80 HydrophobicContact CD2-CD1 4.24Å; L69-F80 HydrophobicContact CD2-CD2 4.31Å; L69-F80 HydrophobicContact CD2-CG 3.92Å; L69-V161 HydrophobicContact CD2-CG1 4.16Å; L69-V161 HydrophobicContact CD2-CG2 3.94Å |
| 70 | K | 96.7 | Very high | 94.9 | Very high | 171 Ų | 171 | 58.3 Ų | 58.3 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66.1 | -50.8 | 176.3 | -176.9 | -177.1 | 177.7 | -176.3 | 0 | 111.5 | Q66 Q67 V68 F72 G73 | Q66-K70 WeakPolarHBondContact O-CB 3.28Å; Q66-K70 PolarHBondContact O-N 2.86Å; Q67-K70 WeakPolarHBondContact O-CB 3.35Å; Q67-K70 PolarHBondContact O-N 2.88Å; V68-K70 VanDerWaalsContact C-N 3.29Å; V68-K70 PolarHBondContact O-N 3.08Å; K70-F72 PolarHBondContact O-N 3.39Å; K70-G73 PolarHBondContact O-N 2.89Å |
| 71 | D | 96 | Very high | 95 | Very high | 73 Ų | 73 | 56.5 Ų | 56.5 | 39% | 0.39 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.6 | -34.1 | -178.4 | -65.9 | -9.6 | 0 | 0 | 0 | 110.6 | Q67 V68 G73 M241 Y245 | Q67-D71 VanDerWaalsContact CG-OD2 3.32Å; Q67-D71 WeakPolarHBondContact CG-OD2 3.14Å; Q67-D71 WeakPolarHBondContact O-CB 3.29Å; Q67-D71 PolarHBondContact O-N 3.19Å; V68-D71 PolarHBondContact O-N 3.45Å; D71-G73 VanDerWaalsContact C-N 3.27Å; D71-G73 PolarHBondContact O-N 3.44Å; D71-M241 HydrophobicContact CB-CE 3.46Å; D71-M241 VanDerWaalsContact CB-CE 3.46Å; D71-M241 WeakPolarHBondContact O-CE 3.49Å; D71-Y245 HydrophobicContact CB-CE2 4.46Å; D71-Y245 PolarHBondContact OD2-OH 3.47Å |
| 72 | F | 92.9 | Very high | 95 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 15% | 0.154 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.4 | 177 | -151.9 | -85.8 | 0 | 0 | 0 | 113.4 | V68 K70 I74 V161 A162 R237 M241 | V68-F72 VanDerWaalsContact O-CB 3.26Å; V68-F72 WeakPolarHBondContact O-CB 3.2Å; V68-F72 PolarHBondContact O-N 2.81Å; K70-F72 PolarHBondContact O-N 3.39Å; F72-I74 HydrophobicContact CB-CG1 4.25Å; F72-I74 HydrophobicContact CD1-CD1 3.72Å; F72-I74 HydrophobicContact CD1-CG1 4.26Å; F72-I74 HydrophobicContact CE1-CD1 4.43Å; F72-V161 HydrophobicContact CD1-CG1 4.22Å; F72-V161 HydrophobicContact CG-CG1 4.23Å; F72-A162 HydrophobicContact CE2-CB 3.78Å; F72-A162 HydrophobicContact CZ-CB 3.53Å; F72-R237 HydrophobicContact CE2-CB 4.49Å; F72-R237 HydrophobicContact CZ-CB 4.27Å; F72-M241 HydrophobicContact CB-CE 3.92Å; F72-M241 HydrophobicContact CD2-CE 3.95Å; F72-M241 HydrophobicContact CD2-CG 4.25Å; F72-M241 HydrophobicContact CD2-SD 3.41Å; F72-M241 WeakPolarHBondContact CD2-SD 3.18Å; F72-M241 HydrophobicContact CE2-SD 4.02Å; F72-M241 HydrophobicContact CG-CE 4.39Å; F72-M241 HydrophobicContact CG-SD 4.39Å; F72-M241 VanDerWaalsContact N-CE 3.27Å |
| 73 | G | 93 | Very high | 95 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 58% | 0.577 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.9 | 32.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L69 K70 D71 S75 | L69-G73 PolarHBondContact O-N 3.29Å; K70-G73 PolarHBondContact O-N 2.89Å; D71-G73 VanDerWaalsContact C-N 3.27Å; D71-G73 PolarHBondContact O-N 3.44Å; G73-S75 PolarHBondContact O-N 3.18Å; G73-S75 VanDerWaalsContact O-N 3.13Å |
| 74 | I | 92.9 | Very high | 94.9 | Very high | 22 Ų | 22 | 51 Ų | 51 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | trans | -66.7 | 112.7 | 178.6 | -61.8 | -63.2 | 0 | 0 | 0 | 109.9 | L69 F72 S76 F80 V161 Q165 | L69-I74 HydrophobicContact CD2-CG1 4.07Å; L69-I74 PolarHBondContact O-N 2.87Å; L69-I74 VanDerWaalsContact O-N 3.08Å; F72-I74 HydrophobicContact CB-CG1 4.25Å; F72-I74 HydrophobicContact CD1-CD1 3.72Å; F72-I74 HydrophobicContact CD1-CG1 4.26Å; F72-I74 HydrophobicContact CE1-CD1 4.43Å; I74-S76 VanDerWaalsContact C-N 3.28Å; I74-S76 PolarHBondContact O-N 3.01Å; I74-F80 HydrophobicContact CD1-CE2 4.13Å; I74-F80 HydrophobicContact CD1-CZ 4.32Å; I74-F80 HydrophobicContact CG1-CE2 4.43Å; I74-F80 HydrophobicContact CG2-CD2 3.78Å; I74-F80 HydrophobicContact CG2-CE2 3.71Å; I74-V161 HydrophobicContact CD1-CG1 3.9Å; I74-V161 HydrophobicContact CG1-CG1 4.05Å; I74-Q165 HydrophobicContact CD1-CB 4.44Å; I74-Q165 HydrophobicContact CD1-CG 3.99Å | ||
| 75 | S | 84.8 | Confident | 94.7 | Very high | 127 Ų | 127 | 50.1 Ų | 50.1 | 89% | 0.888 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30.4 | -176.6 | -42.8 | 0 | 0 | 0 | 0 | 113.5 | G73 | G73-S75 PolarHBondContact O-N 3.18Å; G73-S75 VanDerWaalsContact O-N 3.13Å |
| 76 | S | 88.9 | Confident | 94.1 | Very high | 53 Ų | 53 | 57.7 Ų | 57.7 | 37% | 0.371 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 68.5 | -178.5 | -66.8 | 0 | 0 | 0 | 0 | 110.6 | I74 K78 N79 | I74-S76 VanDerWaalsContact C-N 3.28Å; I74-S76 PolarHBondContact O-N 3.01Å; S76-K78 PolarHBondContact O-N 3.09Å; S76-K78 VanDerWaalsContact O-N 3.09Å; S76-N79 WeakPolarHBondContact O-CB 3.49Å; S76-N79 PolarHBondContact O-N 3.35Å |
| 77 | A | 91.4 | Very high | 93.6 | Very high | 37 Ų | 37 | 55 Ų | 55 | 31% | 0.306 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -54.1 | -30.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | L69 N79 F80 | L69-A77 HydrophobicContact CD1-CB 4.09Å; A77-N79 PolarHBondContact O-N 2.91Å; A77-N79 VanDerWaalsContact O-N 3.09Å; A77-F80 PolarHBondContact O-N 3.02Å; A77-F80 VanDerWaalsContact O-O 3.07Å |
| 78 | K | 93.4 | Very high | 93.2 | Very high | 183 Ų | 183 | 53.9 Ų | 53.9 | 80% | 0.796 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -58.3 | -19.8 | 174.5 | 71.3 | -178.9 | -177.6 | 177.4 | 0 | 114.9 | S76 F80 | S76-K78 PolarHBondContact O-N 3.09Å; S76-K78 VanDerWaalsContact O-N 3.09Å; K78-F80 VanDerWaalsContact C-N 3.25Å |
| 79 | N | 95.1 | Very high | 92.9 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 26% | 0.262 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -86.6 | -0.8 | 178 | -63.3 | 1 | 0 | 0 | 0 | 112.2 | S76 A77 P96 G101 A102 | S76-N79 WeakPolarHBondContact O-CB 3.49Å; S76-N79 PolarHBondContact O-N 3.35Å; A77-N79 PolarHBondContact O-N 2.91Å; A77-N79 VanDerWaalsContact O-N 3.09Å; N79-P96 WeakPolarHBondContact CB-O 3.17Å; N79-P96 VanDerWaalsContact CG-O 3.3Å; N79-P96 PolarHBondContact ND2-O 2.7Å; N79-G101 CarbonylContact O-C 3.36Å; N79-G101 VanDerWaalsContact O-CA 3.27Å; N79-G101 WeakPolarHBondContact O-CA 2.99Å; N79-A102 PolarHBondContact O-N 3.4Å |
| 80 | F | 96.9 | Very high | 92.7 | Very high | 11 Ų | 11 | 57.3 Ų | 57.3 | 5% | 0.048 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.6 | 174 | -74.8 | -95.5 | 0 | 0 | 0 | 109.3 | F65 L69 I74 A77 K78 P96 A102 I104 V161 L164 Q165 | F65-F80 HydrophobicContact CZ-CB 3.92Å; L69-F80 HydrophobicContact CD1-CB 3.94Å; L69-F80 HydrophobicContact CD2-CB 3.93Å; L69-F80 HydrophobicContact CD2-CD1 4.24Å; L69-F80 HydrophobicContact CD2-CD2 4.31Å; L69-F80 HydrophobicContact CD2-CG 3.92Å; I74-F80 HydrophobicContact CD1-CE2 4.13Å; I74-F80 HydrophobicContact CD1-CZ 4.32Å; I74-F80 HydrophobicContact CG1-CE2 4.43Å; I74-F80 HydrophobicContact CG2-CD2 3.78Å; I74-F80 HydrophobicContact CG2-CE2 3.71Å; A77-F80 PolarHBondContact O-N 3.02Å; A77-F80 VanDerWaalsContact O-O 3.07Å; K78-F80 VanDerWaalsContact C-N 3.25Å; F80-P96 HydrophobicContact CD2-CB 4.41Å; F80-P96 HydrophobicContact CE1-CG 3.9Å; F80-P96 HydrophobicContact CE2-CB 3.65Å; F80-P96 HydrophobicContact CE2-CG 3.78Å; F80-P96 HydrophobicContact CZ-CB 3.76Å; F80-P96 HydrophobicContact CZ-CG 3.31Å; F80-A102 CarbonylContact C-O 3.55Å; F80-A102 VanDerWaalsContact CA-O 3.29Å; F80-A102 WeakPolarHBondContact CA-O 3.41Å; F80-A102 HydrophobicContact CD1-CB 3.8Å; F80-A102 HydrophobicContact CE1-CB 3.81Å; F80-A102 HydrophobicContact CG-CB 4.44Å; F80-A102 HydrophobicContact CZ-CB 4.47Å; F80-I104 HydrophobicContact CD1-CD1 4.48Å; F80-V161 HydrophobicContact CE1-CG1 4.14Å; F80-V161 HydrophobicContact CZ-CG1 4.28Å; F80-L164 HydrophobicContact CE1-CB 4.23Å; F80-Q165 HydrophobicContact CZ-CB 4.28Å |
| 81 | S | 96.7 | Very high | 92.6 | Very high | 46 Ų | 46 | 49.9 Ų | 49.9 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 152.4 | 172.3 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | A102 Q103 I104 | S81-A102 PolarHBondContact N-O 3.29Å; S81-Q103 CarbonylContact O-C 3.53Å; S81-Q103 VanDerWaalsContact O-CA 3.31Å; S81-Q103 WeakPolarHBondContact O-CA 3.46Å; S81-I104 PolarHBondContact O-N 2.93Å |
| 82 | A | 97 | Very high | 92.5 | Very high | 19 Ų | 19 | 46.6 Ų | 46.6 | 16% | 0.157 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 151.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | L57 F65 I104 I106 | L57-A82 HydrophobicContact CD2-CB 3.64Å; F65-A82 HydrophobicContact CB-CB 4.32Å; F65-A82 HydrophobicContact CD1-CB 3.58Å; F65-A82 HydrophobicContact CD2-CB 4.01Å; F65-A82 HydrophobicContact CE1-CB 3.73Å; F65-A82 HydrophobicContact CE2-CB 4.15Å; F65-A82 HydrophobicContact CG-CB 3.71Å; F65-A82 HydrophobicContact CZ-CB 3.98Å; A82-I104 WeakPolarHBondContact CA-O 3.3Å; A82-I106 HydrophobicContact CB-CD1 3.95Å; A82-I106 HydrophobicContact CB-CG1 4.5Å |
| 83 | F | 96.3 | Very high | 92.7 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 2% | 0.022 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 157.6 | 173.1 | 67.5 | -85.2 | 0 | 0 | 0 | 110.4 | Y42 R43 S85 Q103 I104 G105 I106 | Y42-F83 HydrophobicContact CD1-CZ 4.42Å; Y42-F83 HydrophobicContact CE1-CZ 4.36Å; R43-F83 HydrophobicContact CG-CD1 4.43Å; R43-F83 HydrophobicContact CG-CD2 4.22Å; R43-F83 HydrophobicContact CG-CE1 4.5Å; R43-F83 HydrophobicContact CG-CE2 4.3Å; R43-F83 HydrophobicContact CG-CG 4.3Å; R43-F83 HydrophobicContact CG-CZ 4.44Å; F83-S85 PolarHBondContact O-N 3.41Å; F83-Q103 HydrophobicContact CD1-CB 4.32Å; F83-Q103 HydrophobicContact CE1-CB 4.1Å; F83-I104 PolarHBondContact N-O 3.06Å; F83-G105 VanDerWaalsContact CE1-CA 3.49Å; F83-G105 VanDerWaalsContact CZ-CA 3.49Å; F83-G105 CarbonylContact O-C 3.53Å; F83-G105 WeakPolarHBondContact O-CA 3.09Å; F83-I106 PolarHBondContact O-N 3.02Å |
| 84 | A | 94.9 | Very high | 92.8 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 117.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | Q47 A48 V55 L57 | Q47-A84 PolarHBondContact NE2-O 3.21Å; A48-A84 HydrophobicContact CB-CB 4.21Å; A48-A84 WeakPolarHBondContact CB-O 3.25Å; A48-A84 PolarHBondContact N-O 3.2Å; V55-A84 HydrophobicContact CB-CB 4.19Å; V55-A84 HydrophobicContact CG1-CB 4.06Å; V55-A84 WeakPolarHBondContact O-CB 3.33Å; L57-A84 HydrophobicContact CD1-CB 4.28Å |
| 85 | S | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 152.3 | 178.8 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | Y46 F83 G105 I106 | Y46-S85 CarbonylContact O-C 3.44Å; Y46-S85 WeakPolarHBondContact O-CA 3.49Å; Y46-S85 WeakPolarHBondContact O-CB 3.46Å; F83-S85 PolarHBondContact O-N 3.41Å; S85-G105 PolarHBondContact OG-O 3.05Å; S85-G105 VanDerWaalsContact OG-O 3.13Å; S85-I106 PolarHBondContact N-O 2.91Å; S85-I106 PolarHBondContact OG-N 2.89Å; S85-I106 PolarHBondContact OG-O 3.24Å |
| 86 | F | 85.6 | Confident | 93.5 | Very high | 159 Ų | 159 | 35.5 Ų | 35.5 | 70% | 0.697 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -81.6 | 129.9 | 163.3 | 178.6 | -97.6 | 0 | 0 | 0 | 109.4 | Y46 | Y46-F86 PolarHBondContact O-N 2.57Š|
| 87 | G | 87.1 | Confident | 93.7 | Very high | 27 Ų | 27 | 39.9 Ų | 39.9 | 28% | 0.278 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 132.5 | -166 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P107 | G87-P107 WeakPolarHBondContact O-CB 3.44Š|
| 88 | F | 88.9 | Confident | 93.9 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -126.9 | 3.2 | -175.1 | -60.6 | -60.1 | 0 | 0 | 0 | 114.4 | I125 L146 | F88-I125 HydrophobicContact CE1-CD1 3.55Å; F88-I125 HydrophobicContact CE1-CG1 4.47Å; F88-I125 HydrophobicContact CZ-CD1 3.6Å; F88-I125 HydrophobicContact CZ-CG1 4.15Å; F88-I125 HydrophobicContact CZ-CG2 3.95Å; F88-L146 HydrophobicContact CB-CD2 3.75Å; F88-L146 HydrophobicContact CD1-CD1 3.9Å; F88-L146 HydrophobicContact CD1-CD2 3.47Å; F88-L146 VanDerWaalsContact CD1-CD2 3.47Å; F88-L146 HydrophobicContact CD1-CG 4.31Å; F88-L146 HydrophobicContact CD2-CD2 4.35Å; F88-L146 HydrophobicContact CE1-CD1 3.69Å; F88-L146 HydrophobicContact CE1-CD2 4.13Å; F88-L146 HydrophobicContact CG-CD2 3.61Å; F88-L146 HydrophobicContact CZ-CD1 4.27Å |
| 89 | H | 90.4 | Very high | 93.8 | Very high | 74 Ų | 74 | 38.9 Ų | 38.9 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -143.2 | 153.4 | 177 | 57 | -82.5 | 0 | 0 | 0 | 109.7 | ||
| 90 | P | 94.9 | Very high | 93.7 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | trans | -59.8 | 142.3 | 173.8 | -26.2 | 37 | 0 | 0 | 0 | 111.8 | I104 G105 F110 A156 I157 E160 | P90-I104 HydrophobicContact CB-CG2 4.49Å; P90-G105 VanDerWaalsContact CA-O 3.26Å; P90-G105 WeakPolarHBondContact CA-O 3.48Å; P90-F110 HydrophobicContact CG-CE2 3.79Å; P90-F110 HydrophobicContact CG-CZ 3.83Å; P90-A156 HydrophobicContact CG-CB 3.79Å; P90-I157 HydrophobicContact CG-CG1 4.34Å; P90-E160 HydrophobicContact CB-CG 4.05Å | ||
| 91 | V | 94.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 9% | 0.085 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 146.7 | 178.3 | -57.1 | 0 | 0 | 0 | 0 | 108.3 | Y42 Y46 I104 G105 | Y42-V91 HydrophobicContact CE1-CG2 4.11Å; Y42-V91 VanDerWaalsContact OH-C 3.32Å; Y42-V91 WeakPolarHBondContact OH-CB 3.28Å; Y42-V91 WeakPolarHBondContact OH-CG2 3.39Å; Y46-V91 HydrophobicContact CD1-CG1 4.44Å; Y46-V91 HydrophobicContact CD1-CG2 3.91Å; Y46-V91 HydrophobicContact CD2-CG2 4.5Å; Y46-V91 HydrophobicContact CE1-CG1 4.35Å; Y46-V91 HydrophobicContact CE1-CG2 4.46Å; Y46-V91 HydrophobicContact CG-CG2 3.93Å; V91-I104 CarbonylContact O-C 3.54Å; V91-I104 WeakPolarHBondContact O-CA 3.49Å; V91-G105 PolarHBondContact N-O 3.21Å; V91-G105 PolarHBondContact O-N 2.91Å |
| 92 | G | 94.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 149.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y42 Q103 R163 | Y42-G92 PolarHBondContact OH-N 2.94Å; Y42-G92 PolarHBondContact OH-O 3.48Å; G92-Q103 VanDerWaalsContact CA-O 3.22Å; G92-Q103 WeakPolarHBondContact CA-O 3.18Å; G92-R163 VanDerWaalsContact C-NH2 3.27Å; G92-R163 PolarHBondContact O-NH2 3.3Å |
| 93 | A | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 161.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | H35 Y42 Q103 | H35-A93 WeakPolarHBondContact ND1-CB 3.2Å; Y42-A93 HydrophobicContact CD1-CB 3.42Å; Y42-A93 VanDerWaalsContact CD1-CB 3.42Å; Y42-A93 HydrophobicContact CD2-CB 3.48Å; Y42-A93 VanDerWaalsContact CD2-CB 3.48Å; Y42-A93 HydrophobicContact CE1-CB 3.69Å; Y42-A93 HydrophobicContact CE2-CB 3.75Å; Y42-A93 HydrophobicContact CG-CB 3.27Å; A93-Q103 PolarHBondContact N-O 3.09Å; A93-Q103 PolarHBondContact O-N 3.32Å |
| 94 | G | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 113 | 177 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | H35 G101 P169 | H35-G94 PolarHBondContact ND1-N 3.4Å; H35-G94 VanDerWaalsContact O-CA 3.3Å; H35-G94 WeakPolarHBondContact O-CA 3.34Å; G94-G101 CarbonylContact C-O 3.53Å; G94-G101 WeakPolarHBondContact CA-O 3.48Å; G94-P169 WeakPolarHBondContact O-CG 3.37Å |
| 95 | V | 96.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | trans | -134.1 | 113.4 | -179.1 | 179.6 | 0 | 0 | 0 | 0 | 107.3 | M32 H35 W97 L98 G101 P169 V170 | M32-V95 HydrophobicContact CE-CG2 3.76Å; H35-V95 HydrophobicContact CB-CG2 4.45Å; V95-W97 HydrophobicContact CG1-CD2 3.3Å; V95-W97 HydrophobicContact CG1-CE3 3.7Å; V95-W97 HydrophobicContact CG1-CG 3.87Å; V95-W97 HydrophobicContact CG1-CH2 3.79Å; V95-W97 HydrophobicContact CG1-CZ2 3.36Å; V95-W97 HydrophobicContact CG1-CZ3 3.93Å; V95-W97 PolarHBondContact O-N 2.88Å; V95-L98 HydrophobicContact CB-CB 4.22Å; V95-L98 HydrophobicContact CB-CD1 3.75Å; V95-L98 HydrophobicContact CB-CG 3.77Å; V95-L98 HydrophobicContact CG1-CD1 4.19Å; V95-L98 HydrophobicContact CG1-CG 3.84Å; V95-L98 HydrophobicContact CG2-CD1 4.05Å; V95-L98 PolarHBondContact O-N 3.46Å; V95-G101 CarbonylContact C-O 3.52Å; V95-G101 PolarHBondContact N-O 3.13Å; V95-G101 CarbonylContact O-C 3.55Å; V95-P169 HydrophobicContact CG2-CB 4.41Å; V95-V170 HydrophobicContact CG1-CG2 4.42Å; V95-V170 HydrophobicContact CG2-CG2 3.94Å | ||
| 96 | P | 95.6 | Very high | 94 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 4% | 0.039 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.9 | -170.8 | -24.8 | 32.5 | 0 | 0 | 0 | 115.4 | N79 F80 A102 L164 | N79-P96 WeakPolarHBondContact CB-O 3.17Å; N79-P96 VanDerWaalsContact CG-O 3.3Å; N79-P96 PolarHBondContact ND2-O 2.7Å; F80-P96 HydrophobicContact CD2-CB 4.41Å; F80-P96 HydrophobicContact CE1-CG 3.9Å; F80-P96 HydrophobicContact CE2-CB 3.65Å; F80-P96 HydrophobicContact CE2-CG 3.78Å; F80-P96 HydrophobicContact CZ-CB 3.76Å; F80-P96 HydrophobicContact CZ-CG 3.31Å; P96-A102 HydrophobicContact CB-CB 4.38Å; P96-A102 HydrophobicContact CG-CB 3.71Å; P96-L164 WeakPolarHBondContact CD-O 3.13Å; P96-L164 HydrophobicContact CG-CB 4.39Å |
| 97 | W | 93.8 | Very high | 94.4 | Very high | 145 Ų | 145 | 27.2 Ų | 27.2 | 55% | 0.549 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 2.6 | 177.8 | 61.7 | 85.1 | 0 | 0 | 0 | 113.8 | V95 G167 V170 | V95-W97 HydrophobicContact CG1-CD2 3.3Å; V95-W97 HydrophobicContact CG1-CE3 3.7Å; V95-W97 HydrophobicContact CG1-CG 3.87Å; V95-W97 HydrophobicContact CG1-CH2 3.79Å; V95-W97 HydrophobicContact CG1-CZ2 3.36Å; V95-W97 HydrophobicContact CG1-CZ3 3.93Å; V95-W97 PolarHBondContact O-N 2.88Å; W97-G167 VanDerWaalsContact CH2-CA 3.44Å; W97-V170 HydrophobicContact CZ2-CG2 3.98Å |
| 98 | L | 94.2 | Very high | 94.5 | Very high | 57 Ų | 57 | 26.1 Ų | 26.1 | 30% | 0.298 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -93.3 | 158.7 | 170.1 | -65.7 | -174.7 | 0 | 0 | 0 | 110.8 | V36 V95 A100 G101 | V36-L98 HydrophobicContact CG2-CD1 4.12Å; V95-L98 HydrophobicContact CB-CB 4.22Å; V95-L98 HydrophobicContact CB-CD1 3.75Å; V95-L98 HydrophobicContact CB-CG 3.77Å; V95-L98 HydrophobicContact CG1-CD1 4.19Å; V95-L98 HydrophobicContact CG1-CG 3.84Å; V95-L98 HydrophobicContact CG2-CD1 4.05Å; V95-L98 PolarHBondContact O-N 3.46Å; L98-A100 VanDerWaalsContact C-N 3.26Å; L98-A100 PolarHBondContact O-N 3.06Å; L98-G101 PolarHBondContact O-N 2.95Å |
| 99 | P | 92.6 | Very high | 94.7 | Very high | 142 Ų | 142 | 24 Ų | 24 | 92% | 0.922 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -33.3 | -178.2 | -28 | 36.1 | 0 | 0 | 0 | 115 | G101 | P99-G101 PolarHBondContact O-N 2.94Š|
| 100 | A | 93.4 | Very high | 94.9 | Very high | 40 Ų | 40 | 20.4 Ų | 20.4 | 33% | 0.331 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -9.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V36 P38 L98 | V36-A100 WeakPolarHBondContact O-CB 3.29Å; P38-A100 HydrophobicContact CG-CB 4.21Å; L98-A100 VanDerWaalsContact C-N 3.26Å; L98-A100 PolarHBondContact O-N 3.06Å |
| 101 | G | 95.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 6% | 0.062 | 13% | 0.127 | C | C | . | . | trans | 63 | -154.5 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | N79 G94 V95 L98 P99 | N79-G101 CarbonylContact O-C 3.36Å; N79-G101 VanDerWaalsContact O-CA 3.27Å; N79-G101 WeakPolarHBondContact O-CA 2.99Å; G94-G101 CarbonylContact C-O 3.53Å; G94-G101 WeakPolarHBondContact CA-O 3.48Å; V95-G101 CarbonylContact C-O 3.52Å; V95-G101 PolarHBondContact N-O 3.13Å; V95-G101 CarbonylContact O-C 3.55Å; L98-G101 PolarHBondContact O-N 2.95Å; P99-G101 PolarHBondContact O-N 2.94Å | ||
| 102 | A | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 141.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | N79 F80 S81 P96 L164 | N79-A102 PolarHBondContact O-N 3.4Å; F80-A102 CarbonylContact C-O 3.55Å; F80-A102 VanDerWaalsContact CA-O 3.29Å; F80-A102 WeakPolarHBondContact CA-O 3.41Å; F80-A102 HydrophobicContact CD1-CB 3.8Å; F80-A102 HydrophobicContact CE1-CB 3.81Å; F80-A102 HydrophobicContact CG-CB 4.44Å; F80-A102 HydrophobicContact CZ-CB 4.47Å; S81-A102 PolarHBondContact N-O 3.29Å; P96-A102 HydrophobicContact CB-CB 4.38Å; P96-A102 HydrophobicContact CG-CB 3.71Å; A102-L164 HydrophobicContact CB-CB 4.24Å; A102-L164 HydrophobicContact CB-CD1 3.9Å |
| 103 | Q | 96.7 | Very high | 94.3 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.009 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 135.1 | -176.6 | -52.9 | -166.5 | -13.6 | 0 | 0 | 110.3 | P38 D39 S81 F83 G92 A93 | P38-Q103 HydrophobicContact CB-CG 4.09Å; P38-Q103 HydrophobicContact CG-CG 4.08Å; D39-Q103 PolarHBondContact OD1-NE2 2.95Å; D39-Q103 PolarHBondContact OD2-NE2 3.37Å; S81-Q103 CarbonylContact O-C 3.53Å; S81-Q103 VanDerWaalsContact O-CA 3.31Å; S81-Q103 WeakPolarHBondContact O-CA 3.46Å; F83-Q103 HydrophobicContact CD1-CB 4.32Å; F83-Q103 HydrophobicContact CE1-CB 4.1Å; G92-Q103 VanDerWaalsContact CA-O 3.22Å; G92-Q103 WeakPolarHBondContact CA-O 3.18Å; A93-Q103 PolarHBondContact N-O 3.09Å; A93-Q103 PolarHBondContact O-N 3.32Å |
| 104 | I | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 115.2 | 177.3 | -64.9 | 173.3 | 0 | 0 | 0 | 109.1 | F65 F80 S81 A82 F83 P90 V91 I106 E160 V161 L164 | F65-I104 HydrophobicContact CE2-CB 4.35Å; F65-I104 HydrophobicContact CE2-CD1 4.12Å; F80-I104 HydrophobicContact CD1-CD1 4.48Å; S81-I104 PolarHBondContact O-N 2.93Å; A82-I104 WeakPolarHBondContact CA-O 3.3Å; F83-I104 PolarHBondContact N-O 3.06Å; P90-I104 HydrophobicContact CB-CG2 4.49Å; V91-I104 CarbonylContact O-C 3.54Å; V91-I104 WeakPolarHBondContact O-CA 3.49Å; I104-I106 HydrophobicContact CG2-CG1 4.12Å; I104-E160 HydrophobicContact CD1-CB 4.03Å; I104-E160 HydrophobicContact CG1-CB 4.29Å; I104-E160 HydrophobicContact CG2-CB 4.42Å; I104-V161 HydrophobicContact CD1-CB 4.32Å; I104-V161 HydrophobicContact CD1-CG2 3.4Å; I104-L164 HydrophobicContact CD1-CD1 4.24Å; I104-L164 HydrophobicContact CG1-CD1 3.84Å |
| 105 | G | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 115.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | F83 S85 P90 V91 | F83-G105 VanDerWaalsContact CE1-CA 3.49Å; F83-G105 VanDerWaalsContact CZ-CA 3.49Å; F83-G105 CarbonylContact O-C 3.53Å; F83-G105 WeakPolarHBondContact O-CA 3.09Å; S85-G105 PolarHBondContact OG-O 3.05Å; S85-G105 VanDerWaalsContact OG-O 3.13Å; P90-G105 VanDerWaalsContact CA-O 3.26Å; P90-G105 WeakPolarHBondContact CA-O 3.48Å; V91-G105 PolarHBondContact N-O 3.21Å; V91-G105 PolarHBondContact O-N 2.91Å |
| 106 | I | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 124.7 | 179.9 | -55.7 | 175.6 | 0 | 0 | 0 | 109.1 | L57 L61 F65 A82 F83 S85 I104 F110 I157 | L57-I106 HydrophobicContact CD1-CB 4.02Å; L57-I106 HydrophobicContact CD2-CD1 4.16Å; L61-I106 HydrophobicContact CB-CG2 4.44Å; L61-I106 HydrophobicContact CD1-CG2 3.98Å; L61-I106 HydrophobicContact CD2-CG2 4.3Å; L61-I106 HydrophobicContact CG-CG2 4.47Å; F65-I106 HydrophobicContact CB-CD1 3.92Å; F65-I106 HydrophobicContact CD2-CD1 4.35Å; F65-I106 HydrophobicContact CG-CD1 4.38Å; A82-I106 HydrophobicContact CB-CD1 3.95Å; A82-I106 HydrophobicContact CB-CG1 4.5Å; F83-I106 PolarHBondContact O-N 3.02Å; S85-I106 PolarHBondContact N-O 2.91Å; S85-I106 PolarHBondContact OG-N 2.89Å; S85-I106 PolarHBondContact OG-O 3.24Å; I104-I106 HydrophobicContact CG2-CG1 4.12Å; I106-F110 HydrophobicContact CG2-CB 4.45Å; I106-F110 HydrophobicContact CG2-CD2 3.88Å; I106-F110 HydrophobicContact CG2-CG 4.38Å; I106-I157 HydrophobicContact CD1-CD1 3.77Å; I106-I157 HydrophobicContact CD1-CG1 4.16Å; I106-I157 HydrophobicContact CG1-CD1 4.37Å; I106-I157 HydrophobicContact CG1-CG1 4.33Å; I106-I157 HydrophobicContact CG2-CD1 4.45Å |
| 107 | P | 93.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 147.2 | -174 | 36.7 | -40.4 | 0 | 0 | 0 | 110.7 | G87 N109 F110 | G87-P107 WeakPolarHBondContact O-CB 3.44Å; P107-N109 WeakPolarHBondContact CB-OD1 3.48Å; P107-N109 WeakPolarHBondContact CG-OD1 3.38Å; P107-N109 PolarHBondContact O-N 2.87Å; P107-F110 HydrophobicContact CG-CD1 3.91Å; P107-F110 HydrophobicContact CG-CE1 3.96Å; P107-F110 HydrophobicContact CG-CG 4.36Å; P107-F110 HydrophobicContact CG-CZ 4.44Å; P107-F110 WeakPolarHBondContact O-CB 3.2Å; P107-F110 PolarHBondContact O-N 2.66Å; P107-F110 VanDerWaalsContact O-N 3.16Å |
| 108 | A | 89.6 | Confident | 92 | Very high | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -72.6 | -12.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F110 N111 | A108-F110 PolarHBondContact O-N 2.78Å; A108-F110 VanDerWaalsContact O-N 3.14Å; A108-N111 VanDerWaalsContact O-CB 3.3Å; A108-N111 WeakPolarHBondContact O-CB 3.39Å; A108-N111 PolarHBondContact O-N 3.01Å; A108-N111 PolarHBondContact O-ND2 3.18Å |
| 109 | N | 92 | Very high | 91.3 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -61.5 | -17.5 | 171.9 | 65.2 | -64.5 | 0 | 0 | 0 | 111.9 | P107 N111 S112 I120 L146 F148 | P107-N109 WeakPolarHBondContact CB-OD1 3.48Å; P107-N109 WeakPolarHBondContact CG-OD1 3.38Å; P107-N109 PolarHBondContact O-N 2.87Å; N109-N111 PolarHBondContact O-N 2.94Å; N109-S112 VanDerWaalsContact O-CB 3.29Å; N109-S112 WeakPolarHBondContact O-CB 3.37Å; N109-S112 PolarHBondContact O-N 3.17Å; N109-S112 VanDerWaalsContact O-N 3.12Å; N109-I120 HydrophobicContact CB-CD1 4.26Å; N109-I120 HydrophobicContact CB-CG1 3.6Å; N109-L146 PolarHBondContact ND2-O 2.79Å; N109-F148 WeakPolarHBondContact ND2-CE2 3.49Å |
| 110 | F | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -71.8 | -15.7 | 173.3 | -74.6 | 21.6 | 0 | 0 | 0 | 112.6 | K60 L61 P90 I106 P107 A108 S112 F148 Q153 A156 I157 | K60-F110 PolarHBondContact NZ-O 3.5Å; L61-F110 HydrophobicContact CD1-CB 4.22Å; L61-F110 HydrophobicContact CD2-CB 3.45Å; L61-F110 VanDerWaalsContact CD2-CB 3.45Å; L61-F110 HydrophobicContact CG-CB 4.49Å; P90-F110 HydrophobicContact CG-CE2 3.79Å; P90-F110 HydrophobicContact CG-CZ 3.83Å; I106-F110 HydrophobicContact CG2-CB 4.45Å; I106-F110 HydrophobicContact CG2-CD2 3.88Å; I106-F110 HydrophobicContact CG2-CG 4.38Å; P107-F110 HydrophobicContact CG-CD1 3.91Å; P107-F110 HydrophobicContact CG-CE1 3.96Å; P107-F110 HydrophobicContact CG-CG 4.36Å; P107-F110 HydrophobicContact CG-CZ 4.44Å; P107-F110 WeakPolarHBondContact O-CB 3.2Å; P107-F110 PolarHBondContact O-N 2.66Å; P107-F110 VanDerWaalsContact O-N 3.16Å; A108-F110 PolarHBondContact O-N 2.78Å; A108-F110 VanDerWaalsContact O-N 3.14Å; F110-S112 VanDerWaalsContact C-N 3.28Å; F110-F148 HydrophobicContact CD1-CD2 4.12Å; F110-F148 AromaticContact CE1-CD2 3.71Å; F110-F148 HydrophobicContact CE1-CD2 3.71Å; F110-F148 HydrophobicContact CE1-CE2 4.02Å; F110-F148 HydrophobicContact CE1-CG 4.17Å; F110-Q153 HydrophobicContact CB-CG 4.15Å; F110-Q153 HydrophobicContact CD1-CG 4.25Å; F110-Q153 HydrophobicContact CD2-CB 3.75Å; F110-Q153 HydrophobicContact CD2-CG 3.54Å; F110-Q153 HydrophobicContact CE2-CB 3.85Å; F110-Q153 HydrophobicContact CE2-CG 3.86Å; F110-Q153 HydrophobicContact CG-CB 4.45Å; F110-Q153 HydrophobicContact CG-CG 3.75Å; F110-Q153 HydrophobicContact CZ-CG 4.33Å; F110-Q153 PolarHBondContact O-NE2 3.15Å; F110-Q153 PolarHBondContact O-OE1 3.03Å; F110-A156 HydrophobicContact CE2-CB 4.01Å; F110-A156 HydrophobicContact CZ-CB 3.79Å; F110-I157 HydrophobicContact CE2-CG1 4.47Å |
| 111 | N | 92.4 | Very high | 90.2 | Very high | 47 Ų | 47 | 28.8 Ų | 28.8 | 25% | 0.251 | 17% | 0.172 | S | C | . | . | G | 310 helix | trans | -68.6 | -31.8 | 168.5 | -73.2 | -52 | 0 | 0 | 0 | 111.9 | S58 K60 A108 N109 | S58-N111 WeakPolarHBondContact CB-OD1 3.42Å; S58-N111 PolarHBondContact OG-OD1 3.31Å; K60-N111 PolarHBondContact NZ-O 2.92Å; A108-N111 VanDerWaalsContact O-CB 3.3Å; A108-N111 WeakPolarHBondContact O-CB 3.39Å; A108-N111 PolarHBondContact O-N 3.01Å; A108-N111 PolarHBondContact O-ND2 3.18Å; N109-N111 PolarHBondContact O-N 2.94Å |
| 112 | S | 90.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -65 | 149.1 | -178.2 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | N109 F110 D116 P117 G119 I120 | N109-S112 VanDerWaalsContact O-CB 3.29Å; N109-S112 WeakPolarHBondContact O-CB 3.37Å; N109-S112 PolarHBondContact O-N 3.17Å; N109-S112 VanDerWaalsContact O-N 3.12Å; F110-S112 VanDerWaalsContact C-N 3.28Å; S112-D116 CarbonylContact C-O 3.46Å; S112-D116 VanDerWaalsContact CA-O 3.23Å; S112-D116 WeakPolarHBondContact CA-O 3.28Å; S112-P117 PolarHBondContact OG-O 3.1Å; S112-G119 WeakPolarHBondContact OG-CA 3.27Å; S112-G119 PolarHBondContact OG-N 3.12Å; S112-G119 VanDerWaalsContact OG-N 3.1Å; S112-I120 WeakPolarHBondContact OG-CG1 3.42Å; S112-I120 PolarHBondContact OG-N 3.14Å | ||
| 113 | T | 89 | Confident | 88.7 | Confident | 59 Ų | 59 | 38.8 Ų | 38.8 | 36% | 0.362 | 22% | 0.217 | S | C | . | . | trans | -125.8 | 177 | 168.8 | 64.2 | 0 | 0 | 0 | 0 | 108.8 | D115 D116 | T113-D115 PolarHBondContact O-N 2.71Å; T113-D115 PolarHBondContact OG1-N 3.11Å; T113-D116 PolarHBondContact N-O 3.07Å; T113-D116 CarbonylContact O-C 3.57Å; T113-D116 PolarHBondContact OG1-N 3.04Å | ||
| 114 | T | 84 | Confident | 87.9 | Confident | 125 Ų | 125 | 44.6 Ų | 44.6 | 77% | 0.767 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -60.1 | -38.2 | 174.2 | -49.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 115 | D | 86.3 | Confident | 87.2 | Confident | 156 Ų | 156 | 45.8 Ų | 45.8 | 83% | 0.834 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -87.2 | -27.3 | -176.8 | -54.6 | -46.7 | 0 | 0 | 0 | 112.7 | T113 | T113-D115 PolarHBondContact O-N 2.71Å; T113-D115 PolarHBondContact OG1-N 3.11Å |
| 116 | D | 88.3 | Confident | 86.7 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | trans | -125.5 | 90.3 | 177.5 | 179.7 | 15.3 | 0 | 0 | 0 | 111.4 | S112 T113 S118 | S112-D116 CarbonylContact C-O 3.46Å; S112-D116 VanDerWaalsContact CA-O 3.23Å; S112-D116 WeakPolarHBondContact CA-O 3.28Å; T113-D116 PolarHBondContact N-O 3.07Å; T113-D116 CarbonylContact O-C 3.57Å; T113-D116 PolarHBondContact OG1-N 3.04Å; D116-S118 VanDerWaalsContact CG-OG 3.25Å; D116-S118 PolarHBondContact O-N 3.39Å; D116-S118 WeakPolarHBondContact OD1-CB 3.39Å; D116-S118 PolarHBondContact OD1-N 3.21Å; D116-S118 PolarHBondContact OD1-OG 3.31Å; D116-S118 PolarHBondContact OD2-OG 3.35Å; D116-S118 VanDerWaalsContact OD2-OG 3.11Å | ||
| 117 | P | 85.7 | Confident | 86.1 | Confident | 36 Ų | 36 | 53 Ų | 53 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | trans | -80.7 | 7.8 | 177.8 | 32.9 | -35.3 | 0 | 0 | 0 | 113.7 | S112 G119 I120 T121 K143 | S112-P117 PolarHBondContact OG-O 3.1Å; P117-G119 VanDerWaalsContact C-N 3.25Å; P117-G119 PolarHBondContact O-N 3.29Å; P117-I120 WeakPolarHBondContact O-CB 3.02Å; P117-I120 PolarHBondContact O-N 3.1Å; P117-T121 HydrophobicContact CB-CG2 4.18Å; P117-T121 HydrophobicContact CG-CG2 4.36Å; P117-T121 PolarHBondContact O-N 2.69Å; P117-T121 VanDerWaalsContact O-N 3.11Å; P117-T121 PolarHBondContact O-OG1 3.06Å; P117-K143 HydrophobicContact CB-CD 4.1Å; P117-K143 HydrophobicContact CB-CG 4.4Å | ||
| 118 | S | 84.1 | Confident | 85.5 | Confident | 31 Ų | 31 | 56.2 Ų | 56.2 | 22% | 0.217 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.3 | -35.3 | -171.4 | 60.7 | 0 | 0 | 0 | 0 | 115.1 | D116 I120 N122 | D116-S118 VanDerWaalsContact CG-OG 3.25Å; D116-S118 PolarHBondContact O-N 3.39Å; D116-S118 WeakPolarHBondContact OD1-CB 3.39Å; D116-S118 PolarHBondContact OD1-N 3.21Å; D116-S118 PolarHBondContact OD1-OG 3.31Å; D116-S118 PolarHBondContact OD2-OG 3.35Å; D116-S118 VanDerWaalsContact OD2-OG 3.11Å; S118-I120 PolarHBondContact O-N 2.99Å; S118-I120 VanDerWaalsContact O-N 3.1Å; S118-N122 WeakPolarHBondContact CB-ND2 3.35Å; S118-N122 VanDerWaalsContact O-CB 3.23Å; S118-N122 WeakPolarHBondContact O-CB 3.48Å; S118-N122 PolarHBondContact O-N 2.97Å; S118-N122 VanDerWaalsContact O-N 3.08Å |
| 119 | G | 79.6 | Confident | 85.2 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.6 | -18 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | S112 P117 | S112-G119 WeakPolarHBondContact OG-CA 3.27Å; S112-G119 PolarHBondContact OG-N 3.12Å; S112-G119 VanDerWaalsContact OG-N 3.1Å; P117-G119 VanDerWaalsContact C-N 3.25Å; P117-G119 PolarHBondContact O-N 3.29Å |
| 120 | I | 82.5 | Confident | 85 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -105.6 | -53.2 | 176.3 | -62 | 156.2 | 0 | 0 | 0 | 110 | N109 S112 P117 S118 R123 I125 W134 L146 V147 | N109-I120 HydrophobicContact CB-CD1 4.26Å; N109-I120 HydrophobicContact CB-CG1 3.6Å; S112-I120 WeakPolarHBondContact OG-CG1 3.42Å; S112-I120 PolarHBondContact OG-N 3.14Å; P117-I120 WeakPolarHBondContact O-CB 3.02Å; P117-I120 PolarHBondContact O-N 3.1Å; S118-I120 PolarHBondContact O-N 2.99Å; S118-I120 VanDerWaalsContact O-N 3.1Å; I120-R123 PolarHBondContact O-N 3.13Å; I120-I125 HydrophobicContact CG2-CD1 4.26Å; I120-W134 HydrophobicContact CG2-CH2 3.6Å; I120-W134 HydrophobicContact CG2-CZ2 3.94Å; I120-W134 HydrophobicContact CG2-CZ3 3.93Å; I120-L146 HydrophobicContact CD1-CB 3.62Å; I120-L146 HydrophobicContact CG1-CB 4.14Å; I120-L146 HydrophobicContact CG2-CD1 4.04Å; I120-V147 HydrophobicContact CD1-CG2 3.66Å |
| 121 | T | 81.4 | Confident | 84.7 | Confident | 41 Ų | 41 | 70.2 Ų | 70.2 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -76.7 | -25 | -167.5 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | P117 R123 W134 K143 | P117-T121 HydrophobicContact CB-CG2 4.18Å; P117-T121 HydrophobicContact CG-CG2 4.36Å; P117-T121 PolarHBondContact O-N 2.69Å; P117-T121 VanDerWaalsContact O-N 3.11Å; P117-T121 PolarHBondContact O-OG1 3.06Å; T121-R123 PolarHBondContact O-N 3.27Å; T121-W134 HydrophobicContact CG2-CB 4.41Å; T121-W134 HydrophobicContact CG2-CD2 4.28Å; T121-W134 HydrophobicContact CG2-CG 4Å; T121-K143 HydrophobicContact CG2-CD 4.08Å |
| 122 | N | 82.3 | Confident | 84.5 | Confident | 130 Ų | 130 | 68.7 Ų | 68.7 | 70% | 0.695 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | 11.2 | 179.3 | -65.5 | -2.5 | 0 | 0 | 0 | 112.8 | S118 | S118-N122 WeakPolarHBondContact CB-ND2 3.35Å; S118-N122 VanDerWaalsContact O-CB 3.23Å; S118-N122 WeakPolarHBondContact O-CB 3.48Å; S118-N122 PolarHBondContact O-N 2.97Å; S118-N122 VanDerWaalsContact O-N 3.08Å |
| 123 | R | 77.3 | Confident | 84.4 | Confident | 86 Ų | 86 | 72.8 Ų | 72.8 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -126 | 137.4 | -176.8 | -61.6 | 177.8 | 174.9 | -147.6 | -9.2 | 109.6 | I120 T121 I125 | I120-R123 PolarHBondContact O-N 3.13Å; T121-R123 PolarHBondContact O-N 3.27Å; R123-I125 PolarHBondContact O-N 3.33Å; R123-I125 VanDerWaalsContact O-N 3.09Å |
| 124 | N | 80.6 | Confident | 84.5 | Confident | 125 Ų | 125 | 72 Ų | 72 | 67% | 0.668 | 40% | 0.399 | S | S | * | . | trans | -76.2 | 99.8 | 171.6 | -67.8 | -23.6 | 0 | 0 | 0 | 108.8 | F126 | N124-F126 HydrophobicContact CB-CD2 4.46Å; N124-F126 HydrophobicContact CB-CE2 3.69Å; N124-F126 HydrophobicContact CB-CZ 4.06Å | ||
| 125 | I | 83.5 | Confident | 84.7 | Confident | 25 Ų | 25 | 70.9 Ų | 70.9 | 13% | 0.128 | 40% | 0.397 | C | S | . | . | trans | -91.7 | 120.6 | 173 | -67.7 | 171.2 | 0 | 0 | 0 | 107.7 | F88 I120 R123 I127 T131 V132 W134 | F88-I125 HydrophobicContact CE1-CD1 3.55Å; F88-I125 HydrophobicContact CE1-CG1 4.47Å; F88-I125 HydrophobicContact CZ-CD1 3.6Å; F88-I125 HydrophobicContact CZ-CG1 4.15Å; F88-I125 HydrophobicContact CZ-CG2 3.95Å; I120-I125 HydrophobicContact CG2-CD1 4.26Å; R123-I125 PolarHBondContact O-N 3.33Å; R123-I125 VanDerWaalsContact O-N 3.09Å; I125-I127 HydrophobicContact CG2-CG1 4.35Å; I125-T131 WeakPolarHBondContact O-CA 3.45Å; I125-V132 HydrophobicContact CB-CG2 4.34Å; I125-V132 HydrophobicContact CG2-CG2 3.93Å; I125-V132 PolarHBondContact O-N 3.11Å; I125-W134 HydrophobicContact CB-CH2 4.26Å; I125-W134 HydrophobicContact CB-CZ2 3.93Å; I125-W134 HydrophobicContact CD1-CH2 3.58Å; I125-W134 HydrophobicContact CD1-CZ2 3.55Å; I125-W134 HydrophobicContact CG1-CH2 4.4Å; I125-W134 HydrophobicContact CG1-CZ2 4.05Å | ||
| 126 | F | 85.6 | Confident | 84.9 | Confident | 128 Ų | 128 | 65.3 Ų | 65.3 | 56% | 0.561 | 37% | 0.37 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.5 | 178.7 | -65.7 | -87.8 | 0 | 0 | 0 | 110.5 | N124 K130 T131 | N124-F126 HydrophobicContact CB-CD2 4.46Å; N124-F126 HydrophobicContact CB-CE2 3.69Å; N124-F126 HydrophobicContact CB-CZ 4.06Å; F126-K130 CarbonylContact C-O 3.55Å; F126-K130 VanDerWaalsContact CA-O 3.32Å; F126-K130 WeakPolarHBondContact CA-O 3.42Å; F126-T131 VanDerWaalsContact CE1-OG1 3.3Å; F126-T131 WeakPolarHBondContact CE1-OG1 3.41Å |
| 127 | I | 85.1 | Confident | 85 | Confident | 22 Ų | 22 | 70 Ų | 70 | 11% | 0.113 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 123.7 | 171.3 | -60.1 | 179.2 | 0 | 0 | 0 | 107.4 | I125 G129 K130 V132 L142 L263 L266 M267 | I125-I127 HydrophobicContact CG2-CG1 4.35Å; I127-G129 PolarHBondContact O-N 2.9Å; I127-G129 VanDerWaalsContact O-N 3.15Å; I127-K130 PolarHBondContact N-O 2.86Å; I127-K130 PolarHBondContact O-N 3.1Å; I127-V132 HydrophobicContact CB-CG2 4.28Å; I127-V132 HydrophobicContact CD1-CG2 3.4Å; I127-V132 VanDerWaalsContact CD1-CG2 3.4Å; I127-V132 HydrophobicContact CG1-CG2 3.62Å; I127-L142 HydrophobicContact CD1-CD2 3.71Å; I127-L263 HydrophobicContact CD1-CD2 3.54Å; I127-L263 HydrophobicContact CG1-CD2 4.35Å; I127-L266 HydrophobicContact CD1-CB 4.35Å; I127-L266 HydrophobicContact CD1-CD1 3.85Å; I127-L266 HydrophobicContact CG2-CB 4.06Å; I127-M267 HydrophobicContact CG2-CG 3.42Å; I127-M267 VanDerWaalsContact CG2-CG 3.42Å |
| 128 | S | 82 | Confident | 85.1 | Confident | 69 Ų | 69 | 69.6 Ų | 69.6 | 48% | 0.483 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 37.2 | -176.2 | -63.2 | 0 | 0 | 0 | 0 | 113.6 | K130 | S128-K130 VanDerWaalsContact C-N 3.26Å; S128-K130 PolarHBondContact O-N 2.85Å |
| 129 | G | 82.1 | Confident | 85.4 | Confident | 68 Ų | 68 | 68.1 Ų | 68.1 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 3.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | I127 | I127-G129 PolarHBondContact O-N 2.9Å; I127-G129 VanDerWaalsContact O-N 3.15Å |
| 130 | K | 87.1 | Confident | 85.9 | Confident | 162 Ų | 162 | 70 Ų | 70 | 70% | 0.704 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 139.1 | 177.3 | -62.9 | -177.7 | -179.5 | -179.3 | 0 | 110.4 | F126 I127 S128 | F126-K130 CarbonylContact C-O 3.55Å; F126-K130 VanDerWaalsContact CA-O 3.32Å; F126-K130 WeakPolarHBondContact CA-O 3.42Å; I127-K130 PolarHBondContact N-O 2.86Å; I127-K130 PolarHBondContact O-N 3.1Å; S128-K130 VanDerWaalsContact C-N 3.26Å; S128-K130 PolarHBondContact O-N 2.85Å |
| 131 | T | 88.7 | Confident | 86.4 | Confident | 73 Ų | 73 | 71.4 Ų | 71.4 | 45% | 0.448 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 135.8 | 171.3 | -50.2 | 0 | 0 | 0 | 0 | 109.3 | I125 F126 D133 | I125-T131 WeakPolarHBondContact O-CA 3.45Å; F126-T131 VanDerWaalsContact CE1-OG1 3.3Å; F126-T131 WeakPolarHBondContact CE1-OG1 3.41Å; T131-D133 PolarHBondContact O-N 2.89Å |
| 132 | V | 88.8 | Confident | 86.9 | Confident | 15 Ų | 15 | 69.6 Ų | 69.6 | 9% | 0.091 | 39% | 0.391 | C | S | . | . | trans | -66 | 125.1 | 175 | 177.7 | 0 | 0 | 0 | 0 | 109.6 | I125 I127 W134 L142 | I125-V132 HydrophobicContact CB-CG2 4.34Å; I125-V132 HydrophobicContact CG2-CG2 3.93Å; I125-V132 PolarHBondContact O-N 3.11Å; I127-V132 HydrophobicContact CB-CG2 4.28Å; I127-V132 HydrophobicContact CD1-CG2 3.4Å; I127-V132 VanDerWaalsContact CD1-CG2 3.4Å; I127-V132 HydrophobicContact CG1-CG2 3.62Å; V132-W134 HydrophobicContact CB-CH2 4.17Å; V132-W134 HydrophobicContact CB-CZ2 4.12Å; V132-W134 HydrophobicContact CB-CZ3 4.42Å; V132-W134 HydrophobicContact CG1-CD2 4.04Å; V132-W134 HydrophobicContact CG1-CE3 3.72Å; V132-W134 HydrophobicContact CG1-CH2 3.93Å; V132-W134 HydrophobicContact CG1-CZ2 4.21Å; V132-W134 HydrophobicContact CG1-CZ3 3.68Å; V132-W134 PolarHBondContact O-N 3.36Å; V132-L142 HydrophobicContact CG1-CD2 4.4Å; V132-L142 HydrophobicContact CG2-CD2 4.44Å | ||
| 133 | D | 89.3 | Confident | 87.4 | Confident | 86 Ų | 86 | 66 Ų | 66 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | trans | -81.9 | 102.7 | 168.8 | 175.6 | 8.5 | 0 | 0 | 0 | 109.8 | T131 S135 S136 G139 | T131-D133 PolarHBondContact O-N 2.89Å; D133-S135 PolarHBondContact O-N 2.86Å; D133-S135 WeakPolarHBondContact OD1-CB 3.4Å; D133-S135 PolarHBondContact OD1-N 3.43Å; D133-S135 PolarHBondContact OD1-OG 3.42Å; D133-S135 PolarHBondContact OD2-OG 3.29Å; D133-S136 WeakPolarHBondContact O-CB 3.38Å; D133-S136 PolarHBondContact O-N 2.93Å; D133-S136 PolarHBondContact O-OG 3.47Å; D133-S136 PolarHBondContact OD1-N 3.19Å; D133-G139 WeakPolarHBondContact O-CA 3.16Å | ||
| 134 | W | 90 | Very high | 88.2 | Confident | 41 Ų | 41 | 68.1 Ų | 68.1 | 16% | 0.155 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -13.1 | 179.8 | -58 | 118.3 | 0 | 0 | 0 | 114.8 | I120 T121 I125 V132 L142 K143 | I120-W134 HydrophobicContact CG2-CH2 3.6Å; I120-W134 HydrophobicContact CG2-CZ2 3.94Å; I120-W134 HydrophobicContact CG2-CZ3 3.93Å; T121-W134 HydrophobicContact CG2-CB 4.41Å; T121-W134 HydrophobicContact CG2-CD2 4.28Å; T121-W134 HydrophobicContact CG2-CG 4Å; I125-W134 HydrophobicContact CB-CH2 4.26Å; I125-W134 HydrophobicContact CB-CZ2 3.93Å; I125-W134 HydrophobicContact CD1-CH2 3.58Å; I125-W134 HydrophobicContact CD1-CZ2 3.55Å; I125-W134 HydrophobicContact CG1-CH2 4.4Å; I125-W134 HydrophobicContact CG1-CZ2 4.05Å; V132-W134 HydrophobicContact CB-CH2 4.17Å; V132-W134 HydrophobicContact CB-CZ2 4.12Å; V132-W134 HydrophobicContact CB-CZ3 4.42Å; V132-W134 HydrophobicContact CG1-CD2 4.04Å; V132-W134 HydrophobicContact CG1-CE3 3.72Å; V132-W134 HydrophobicContact CG1-CH2 3.93Å; V132-W134 HydrophobicContact CG1-CZ2 4.21Å; V132-W134 HydrophobicContact CG1-CZ3 3.68Å; V132-W134 PolarHBondContact O-N 3.36Å; W134-L142 HydrophobicContact CZ3-CD2 4.37Å; W134-L142 HydrophobicContact CZ3-CG 4.47Å; W134-K143 HydrophobicContact CE3-CB 3.95Å; W134-K143 HydrophobicContact CZ3-CB 4.15Å |
| 135 | S | 88.3 | Confident | 88.8 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -20.1 | 176.6 | 73.8 | 0 | 0 | 0 | 0 | 113 | D133 | D133-S135 PolarHBondContact O-N 2.86Å; D133-S135 WeakPolarHBondContact OD1-CB 3.4Å; D133-S135 PolarHBondContact OD1-N 3.43Å; D133-S135 PolarHBondContact OD1-OG 3.42Å; D133-S135 PolarHBondContact OD2-OG 3.29Å |
| 136 | S | 90.6 | Very high | 89.4 | Confident | 39 Ų | 39 | 61 Ų | 61 | 27% | 0.273 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -66.1 | 155.6 | 173.2 | 73 | 0 | 0 | 0 | 0 | 111.8 | D133 A138 G139 S140 | D133-S136 WeakPolarHBondContact O-CB 3.38Å; D133-S136 PolarHBondContact O-N 2.93Å; D133-S136 PolarHBondContact O-OG 3.47Å; D133-S136 PolarHBondContact OD1-N 3.19Å; S136-A138 VanDerWaalsContact C-N 3.33Å; S136-A138 PolarHBondContact O-N 3.03Å; S136-G139 PolarHBondContact O-N 3.4Å; S136-G139 PolarHBondContact OG-N 2.92Å; S136-S140 WeakPolarHBondContact O-CB 3.29Å; S136-S140 PolarHBondContact O-N 2.86Å |
| 137 | E | 91.2 | Very high | 89.9 | Confident | 178 Ų | 178 | 55.8 Ų | 55.8 | 83% | 0.832 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -54.7 | -48.5 | 176.2 | -176 | -179.2 | -178.1 | 0 | 0 | 111.7 | G139 S140 A141 | E137-G139 PolarHBondContact O-N 3.41Å; E137-S140 PolarHBondContact O-N 3.5Å; E137-A141 WeakPolarHBondContact O-CB 3.48Å; E137-A141 PolarHBondContact O-N 2.83Å |
| 138 | A | 87.1 | Confident | 90.4 | Very high | 28 Ų | 28 | 55 Ų | 55 | 23% | 0.231 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.4 | -36.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S136 L142 L266 | S136-A138 VanDerWaalsContact C-N 3.33Å; S136-A138 PolarHBondContact O-N 3.03Å; A138-L142 WeakPolarHBondContact O-CB 3.31Å; A138-L142 PolarHBondContact O-N 3.06Å; A138-L266 HydrophobicContact CB-CD2 3.66Å; A138-L266 HydrophobicContact CB-CG 4.3Å |
| 139 | G | 90 | Very high | 91.1 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -68.9 | -38.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D133 S136 E137 L142 K143 | D133-G139 WeakPolarHBondContact O-CA 3.16Å; S136-G139 PolarHBondContact O-N 3.4Å; S136-G139 PolarHBondContact OG-N 2.92Å; E137-G139 PolarHBondContact O-N 3.41Å; G139-L142 PolarHBondContact O-N 3.27Å; G139-K143 VanDerWaalsContact O-CB 3.28Å; G139-K143 WeakPolarHBondContact O-CB 3.36Å; G139-K143 PolarHBondContact O-N 3.16Å |
| 140 | S | 91.2 | Very high | 91.7 | Very high | 51 Ų | 51 | 52.7 Ų | 52.7 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.9 | -44.4 | 175 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | S136 E137 L142 K143 E144 | S136-S140 WeakPolarHBondContact O-CB 3.29Å; S136-S140 PolarHBondContact O-N 2.86Å; E137-S140 PolarHBondContact O-N 3.5Å; S140-L142 PolarHBondContact O-N 3.44Å; S140-K143 WeakPolarHBondContact O-CB 3.34Å; S140-K143 PolarHBondContact O-N 3.02Å; S140-E144 PolarHBondContact O-N 2.93Å |
| 141 | A | 92.1 | Very high | 92.2 | Very high | 31 Ų | 31 | 48.5 Ų | 48.5 | 26% | 0.256 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | E137 E144 A145 M262 | E137-A141 WeakPolarHBondContact O-CB 3.48Å; E137-A141 PolarHBondContact O-N 2.83Å; A141-E144 PolarHBondContact O-N 3.42Å; A141-A145 PolarHBondContact O-N 2.93Å; A141-M262 HydrophobicContact CB-CG 4.27Å; A141-M262 HydrophobicContact CB-SD 3.57Å; A141-M262 VanDerWaalsContact CB-SD 3.57Å |
| 142 | L | 92.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 173.9 | 179.7 | 62.2 | 0 | 0 | 0 | 111.6 | I127 V132 W134 A138 G139 S140 E144 A145 L146 R259 M262 L263 L266 | I127-L142 HydrophobicContact CD1-CD2 3.71Å; V132-L142 HydrophobicContact CG1-CD2 4.4Å; V132-L142 HydrophobicContact CG2-CD2 4.44Å; W134-L142 HydrophobicContact CZ3-CD2 4.37Å; W134-L142 HydrophobicContact CZ3-CG 4.47Å; A138-L142 WeakPolarHBondContact O-CB 3.31Å; A138-L142 PolarHBondContact O-N 3.06Å; G139-L142 PolarHBondContact O-N 3.27Å; S140-L142 PolarHBondContact O-N 3.44Å; L142-E144 VanDerWaalsContact C-N 3.33Å; L142-E144 PolarHBondContact O-N 3.03Å; L142-A145 PolarHBondContact O-N 3.34Å; L142-L146 HydrophobicContact CD1-CD1 4.36Å; L142-L146 HydrophobicContact CD1-CG 4.41Å; L142-L146 HydrophobicContact CG-CD1 4.16Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.21Å; L142-L146 PolarHBondContact O-N 3.49Å; L142-L146 VanDerWaalsContact O-N 3.13Å; L142-R259 HydrophobicContact CD1-CG 3.77Å; L142-M262 HydrophobicContact CB-CB 4.32Å; L142-M262 HydrophobicContact CD1-CB 4.2Å; L142-L263 HydrophobicContact CD1-CD2 4.32Å; L142-L263 HydrophobicContact CD1-CG 4.46Å; L142-L263 HydrophobicContact CD2-CD2 4.39Å; L142-L266 HydrophobicContact CB-CD1 4.38Å; L142-L266 HydrophobicContact CD2-CD1 3.81Å |
| 143 | K | 92.3 | Very high | 93.1 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 24% | 0.243 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.6 | -46.8 | 175.8 | 176.6 | -176.1 | 69.5 | -169.6 | 0 | 110.8 | P117 T121 W134 G139 S140 A145 L146 V147 | P117-K143 HydrophobicContact CB-CD 4.1Å; P117-K143 HydrophobicContact CB-CG 4.4Å; T121-K143 HydrophobicContact CG2-CD 4.08Å; W134-K143 HydrophobicContact CE3-CB 3.95Å; W134-K143 HydrophobicContact CZ3-CB 4.15Å; G139-K143 VanDerWaalsContact O-CB 3.28Å; G139-K143 WeakPolarHBondContact O-CB 3.36Å; G139-K143 PolarHBondContact O-N 3.16Å; S140-K143 WeakPolarHBondContact O-CB 3.34Å; S140-K143 PolarHBondContact O-N 3.02Å; K143-A145 VanDerWaalsContact C-N 3.31Å; K143-A145 PolarHBondContact O-N 2.82Å; K143-L146 PolarHBondContact O-N 3.21Å; K143-V147 PolarHBondContact O-N 3.5Å |
| 144 | E | 93.6 | Very high | 93.5 | Very high | 129 Ų | 129 | 42.5 Ų | 42.5 | 60% | 0.603 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -60.4 | -40.6 | 176.7 | -167 | -167.1 | 153.3 | 0 | 0 | 112 | S140 A141 L142 L146 V147 K255 | S140-E144 PolarHBondContact O-N 2.93Å; A141-E144 PolarHBondContact O-N 3.42Å; L142-E144 VanDerWaalsContact C-N 3.33Å; L142-E144 PolarHBondContact O-N 3.03Å; E144-L146 PolarHBondContact O-N 3.38Å; E144-V147 PolarHBondContact O-N 3.21Å; E144-K255 PolarHBondContact O-NZ 2.88Å |
| 145 | A | 94.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 2% | 0.017 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.3 | -15.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | A141 L142 K143 R259 | A141-A145 PolarHBondContact O-N 2.93Å; L142-A145 PolarHBondContact O-N 3.34Å; K143-A145 VanDerWaalsContact C-N 3.31Å; K143-A145 PolarHBondContact O-N 2.82Å; A145-R259 HydrophobicContact CB-CB 3.96Å |
| 146 | L | 94.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -97.6 | -10.3 | 179 | -69.5 | 176.2 | 0 | 0 | 0 | 113.8 | F88 N109 I120 L142 K143 E144 F148 R259 | F88-L146 HydrophobicContact CB-CD2 3.75Å; F88-L146 HydrophobicContact CD1-CD1 3.9Å; F88-L146 HydrophobicContact CD1-CD2 3.47Å; F88-L146 VanDerWaalsContact CD1-CD2 3.47Å; F88-L146 HydrophobicContact CD1-CG 4.31Å; F88-L146 HydrophobicContact CD2-CD2 4.35Å; F88-L146 HydrophobicContact CE1-CD1 3.69Å; F88-L146 HydrophobicContact CE1-CD2 4.13Å; F88-L146 HydrophobicContact CG-CD2 3.61Å; F88-L146 HydrophobicContact CZ-CD1 4.27Å; N109-L146 PolarHBondContact ND2-O 2.79Å; I120-L146 HydrophobicContact CD1-CB 3.62Å; I120-L146 HydrophobicContact CG1-CB 4.14Å; I120-L146 HydrophobicContact CG2-CD1 4.04Å; L142-L146 HydrophobicContact CD1-CD1 4.36Å; L142-L146 HydrophobicContact CD1-CG 4.41Å; L142-L146 HydrophobicContact CG-CD1 4.16Å; L142-L146 VanDerWaalsContact O-CG 3.3Å; L142-L146 WeakPolarHBondContact O-CG 3.21Å; L142-L146 PolarHBondContact O-N 3.49Å; L142-L146 VanDerWaalsContact O-N 3.13Å; K143-L146 PolarHBondContact O-N 3.21Å; E144-L146 PolarHBondContact O-N 3.38Å; L146-F148 VanDerWaalsContact O-CD2 3.25Å; L146-F148 WeakPolarHBondContact O-CD2 3.37Å; L146-F148 WeakPolarHBondContact O-CE2 3.29Å; L146-R259 HydrophobicContact CD2-CG 4.04Å |
| 147 | V | 95.4 | Very high | 94.8 | Very high | 18 Ų | 18 | 33.8 Ų | 33.8 | 11% | 0.109 | 19% | 0.187 | C | C | . | . | trans | -89.1 | 123.4 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 109.2 | I120 K143 E144 K255 | I120-V147 HydrophobicContact CD1-CG2 3.66Å; K143-V147 PolarHBondContact O-N 3.5Å; E144-V147 PolarHBondContact O-N 3.21Å; V147-K255 VanDerWaalsContact O-CE 3.22Å; V147-K255 WeakPolarHBondContact O-CE 3.49Å; V147-K255 PolarHBondContact O-NZ 3.08Å | ||
| 148 | F | 95.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.026 | 15% | 0.147 | C | C | . | . | trans | -117.6 | 141.4 | -177.9 | -68.6 | -93.8 | 0 | 0 | 0 | 110.5 | N109 F110 L146 A152 Q153 F252 K255 | N109-F148 WeakPolarHBondContact ND2-CE2 3.49Å; F110-F148 HydrophobicContact CD1-CD2 4.12Å; F110-F148 AromaticContact CE1-CD2 3.71Å; F110-F148 HydrophobicContact CE1-CD2 3.71Å; F110-F148 HydrophobicContact CE1-CE2 4.02Å; F110-F148 HydrophobicContact CE1-CG 4.17Å; L146-F148 VanDerWaalsContact O-CD2 3.25Å; L146-F148 WeakPolarHBondContact O-CD2 3.37Å; L146-F148 WeakPolarHBondContact O-CE2 3.29Å; F148-A152 HydrophobicContact CB-CB 4.15Å; F148-A152 HydrophobicContact CD1-CB 3.99Å; F148-Q153 HydrophobicContact CB-CG 3.85Å; F148-Q153 PolarHBondContact O-NE2 2.84Å; F148-F252 HydrophobicContact CD1-CD2 4.08Å; F148-F252 AromaticContact CE1-CD2 3.59Å; F148-F252 HydrophobicContact CE1-CD2 3.59Å; F148-F252 HydrophobicContact CE1-CE2 4.24Å; F148-F252 HydrophobicContact CE1-CG 4.41Å; F148-F252 HydrophobicContact CZ-CD2 4.36Å; F148-K255 HydrophobicContact CD1-CB 4.03Å; F148-K255 HydrophobicContact CD1-CG 4.15Å; F148-K255 HydrophobicContact CE1-CB 3.41Å; F148-K255 VanDerWaalsContact CE1-CB 3.41Å; F148-K255 HydrophobicContact CE1-CG 4.05Å; F148-K255 HydrophobicContact CZ-CB 3.81Å | ||
| 149 | S | 96.5 | Very high | 95.6 | Very high | 31 Ų | 31 | 25 Ų | 25 | 22% | 0.217 | 14% | 0.14 | C | C | . | . | trans | -61.3 | 164.3 | 168.4 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | E151 A152 Q153 E251 | S149-E151 VanDerWaalsContact C-N 3.26Å; S149-E151 PolarHBondContact O-N 2.94Å; S149-A152 PolarHBondContact O-N 3.09Å; S149-A152 WeakPolarHBondContact OG-CB 3.41Å; S149-A152 PolarHBondContact OG-N 3.21Å; S149-A152 VanDerWaalsContact OG-N 3.08Å; S149-Q153 VanDerWaalsContact O-CG 3.25Å; S149-Q153 WeakPolarHBondContact O-CG 3.26Å; S149-Q153 PolarHBondContact O-N 3.09Å; S149-E251 WeakPolarHBondContact CB-OE1 3.47Å; S149-E251 WeakPolarHBondContact CB-OE2 3.05Å; S149-E251 PolarHBondContact N-OE1 2.9Å; S149-E251 PolarHBondContact OG-OE1 2.95Å; S149-E251 PolarHBondContact OG-OE2 3.5Å | ||
| 150 | A | 96.3 | Very high | 96 | Very high | 57 Ų | 57 | 25.6 Ų | 25.6 | 47% | 0.471 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -60.9 | -38.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q153 K154 | A150-Q153 PolarHBondContact O-N 3.42Å; A150-K154 WeakPolarHBondContact O-CB 3.36Å; A150-K154 WeakPolarHBondContact O-CG 3.43Å; A150-K154 PolarHBondContact O-N 2.81Å |
| 151 | E | 97.6 | Very high | 96.3 | Very high | 74 Ų | 74 | 23.2 Ų | 23.2 | 35% | 0.346 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.7 | -44.6 | 176.5 | -65.8 | 83.8 | 172.8 | 0 | 0 | 111.4 | S149 K154 F155 E244 G248 | S149-E151 VanDerWaalsContact C-N 3.26Å; S149-E151 PolarHBondContact O-N 2.94Å; E151-K154 PolarHBondContact O-N 3.05Å; E151-F155 WeakPolarHBondContact O-CB 3.49Å; E151-F155 PolarHBondContact O-N 3.04Å; E151-E244 HydrophobicContact CG-CB 4.02Å; E151-G248 VanDerWaalsContact C-CA 3.5Å |
| 152 | A | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.9 | -37.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | F148 S149 F155 A156 G248 E251 F252 | F148-A152 HydrophobicContact CB-CB 4.15Å; F148-A152 HydrophobicContact CD1-CB 3.99Å; S149-A152 PolarHBondContact O-N 3.09Å; S149-A152 WeakPolarHBondContact OG-CB 3.41Å; S149-A152 PolarHBondContact OG-N 3.21Å; S149-A152 VanDerWaalsContact OG-N 3.08Å; A152-F155 PolarHBondContact O-N 3.39Å; A152-A156 VanDerWaalsContact O-CB 3.28Å; A152-A156 WeakPolarHBondContact O-CB 3.37Å; A152-A156 PolarHBondContact O-N 3.28Å; A152-G248 WeakPolarHBondContact CA-O 3.43Å; A152-G248 WeakPolarHBondContact CB-O 3.39Å; A152-E251 HydrophobicContact CB-CB 4.2Å; A152-E251 HydrophobicContact CB-CG 4.22Å; A152-F252 HydrophobicContact CB-CB 4.29Å |
| 153 | Q | 97.8 | Very high | 96.7 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 2% | 0.023 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 173.8 | -67.5 | 178.3 | 25.9 | 0 | 0 | 111.6 | F110 F148 S149 A150 A156 I157 | F110-Q153 HydrophobicContact CB-CG 4.15Å; F110-Q153 HydrophobicContact CD1-CG 4.25Å; F110-Q153 HydrophobicContact CD2-CB 3.75Å; F110-Q153 HydrophobicContact CD2-CG 3.54Å; F110-Q153 HydrophobicContact CE2-CB 3.85Å; F110-Q153 HydrophobicContact CE2-CG 3.86Å; F110-Q153 HydrophobicContact CG-CB 4.45Å; F110-Q153 HydrophobicContact CG-CG 3.75Å; F110-Q153 HydrophobicContact CZ-CG 4.33Å; F110-Q153 PolarHBondContact O-NE2 3.15Å; F110-Q153 PolarHBondContact O-OE1 3.03Å; F148-Q153 HydrophobicContact CB-CG 3.85Å; F148-Q153 PolarHBondContact O-NE2 2.84Å; S149-Q153 VanDerWaalsContact O-CG 3.25Å; S149-Q153 WeakPolarHBondContact O-CG 3.26Å; S149-Q153 PolarHBondContact O-N 3.09Å; A150-Q153 PolarHBondContact O-N 3.42Å; Q153-A156 PolarHBondContact O-N 2.66Å; Q153-I157 WeakPolarHBondContact O-CG1 3.4Å; Q153-I157 PolarHBondContact O-N 3.43Å; Q153-I157 VanDerWaalsContact O-N 3.09Å |
| 154 | K | 98 | Very high | 96.9 | Very high | 42 Ų | 42 | 21 Ų | 21 | 18% | 0.183 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.3 | -47.7 | 175.9 | -77.7 | 179.5 | -178.6 | -174.8 | 0 | 111.9 | V64 Q67 V68 A150 E151 A156 I157 A158 Y245 | V64-K154 HydrophobicContact CG1-CG 3.94Å; Q67-K154 VanDerWaalsContact CD-CE 3.5Å; V68-K154 HydrophobicContact CG2-CB 4.1Å; V68-K154 HydrophobicContact CG2-CG 4.1Å; A150-K154 WeakPolarHBondContact O-CB 3.36Å; A150-K154 WeakPolarHBondContact O-CG 3.43Å; A150-K154 PolarHBondContact O-N 2.81Å; E151-K154 PolarHBondContact O-N 3.05Å; K154-A156 PolarHBondContact O-N 3.33Å; K154-I157 PolarHBondContact O-N 3Å; K154-A158 VanDerWaalsContact O-CB 3.28Å; K154-A158 WeakPolarHBondContact O-CB 3.32Å; K154-A158 PolarHBondContact O-N 2.91Å; K154-Y245 HydrophobicContact CB-CD1 4.37Å; K154-Y245 HydrophobicContact CB-CE1 3.71Å; K154-Y245 HydrophobicContact CD-CE2 4.48Å |
| 155 | F | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -58.1 | -47.4 | 175.8 | 172.6 | -91.3 | 0 | 0 | 0 | 111.9 | E151 A152 I157 A158 R159 D235 A238 A239 Y245 F252 Y253 I301 | E151-F155 WeakPolarHBondContact O-CB 3.49Å; E151-F155 PolarHBondContact O-N 3.04Å; A152-F155 PolarHBondContact O-N 3.39Å; F155-I157 VanDerWaalsContact C-N 3.28Å; F155-I157 PolarHBondContact O-N 3.01Å; F155-A158 PolarHBondContact O-N 3.03Å; F155-R159 WeakPolarHBondContact O-CG 3.34Å; F155-R159 PolarHBondContact O-N 3.16Å; F155-D235 HydrophobicContact CZ-CB 4.23Å; F155-A238 HydrophobicContact CD2-CB 3.89Å; F155-A238 HydrophobicContact CE2-CB 3.77Å; F155-A239 HydrophobicContact CE2-CB 4.04Å; F155-Y245 HydrophobicContact CB-CD1 4.43Å; F155-Y245 WeakPolarHBondContact CD2-O 3.32Å; F155-F252 HydrophobicContact CD1-CB 3.92Å; F155-F252 AromaticContact CD1-CD1 3.93Å; F155-F252 HydrophobicContact CD1-CD1 3.93Å; F155-F252 HydrophobicContact CD1-CG 4.03Å; F155-F252 HydrophobicContact CE1-CB 4.36Å; F155-F252 AromaticContact CE1-CD1 3.72Å; F155-F252 HydrophobicContact CE1-CD1 3.72Å; F155-F252 HydrophobicContact CE1-CE1 4.34Å; F155-F252 HydrophobicContact CE1-CG 4.28Å; F155-Y253 AromaticContact CE1-CE2 3.94Å; F155-Y253 HydrophobicContact CE1-CE2 3.94Å; F155-Y253 HydrophobicContact CZ-CE2 4.03Å; F155-I301 HydrophobicContact CE1-CD1 4.26Å; F155-I301 HydrophobicContact CE2-CD1 3.75Å; F155-I301 HydrophobicContact CZ-CD1 3.42Å; F155-I301 VanDerWaalsContact CZ-CD1 3.42Å |
| 156 | A | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.2 | -35.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P90 F110 A152 Q153 K154 R159 F252 | P90-A156 HydrophobicContact CG-CB 3.79Å; F110-A156 HydrophobicContact CE2-CB 4.01Å; F110-A156 HydrophobicContact CZ-CB 3.79Å; A152-A156 VanDerWaalsContact O-CB 3.28Å; A152-A156 WeakPolarHBondContact O-CB 3.37Å; A152-A156 PolarHBondContact O-N 3.28Å; Q153-A156 PolarHBondContact O-N 2.66Å; K154-A156 PolarHBondContact O-N 3.33Å; A156-R159 WeakPolarHBondContact O-CG 3.21Å; A156-F252 HydrophobicContact CB-CD2 3.57Å; A156-F252 HydrophobicContact CB-CE2 3.37Å; A156-F252 HydrophobicContact CB-CG 4.31Å; A156-F252 HydrophobicContact CB-CZ 3.96Å |
| 157 | I | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -75.6 | -44.6 | 174.6 | -65.2 | 163.5 | 0 | 0 | 0 | 110.3 | V64 F65 V68 P90 I106 F110 Q153 K154 F155 R159 E160 V161 | V64-I157 HydrophobicContact CG1-CD1 3.75Å; F65-I157 HydrophobicContact CD2-CG2 3.88Å; V68-I157 HydrophobicContact CB-CG2 4.13Å; V68-I157 HydrophobicContact CG1-CG2 3.95Å; V68-I157 HydrophobicContact CG2-CB 4.23Å; V68-I157 HydrophobicContact CG2-CG2 4.17Å; P90-I157 HydrophobicContact CG-CG1 4.34Å; I106-I157 HydrophobicContact CD1-CD1 3.77Å; I106-I157 HydrophobicContact CD1-CG1 4.16Å; I106-I157 HydrophobicContact CG1-CD1 4.37Å; I106-I157 HydrophobicContact CG1-CG1 4.33Å; I106-I157 HydrophobicContact CG2-CD1 4.45Å; F110-I157 HydrophobicContact CE2-CG1 4.47Å; Q153-I157 WeakPolarHBondContact O-CG1 3.4Å; Q153-I157 PolarHBondContact O-N 3.43Å; Q153-I157 VanDerWaalsContact O-N 3.09Å; K154-I157 PolarHBondContact O-N 3Å; F155-I157 VanDerWaalsContact C-N 3.28Å; F155-I157 PolarHBondContact O-N 3.01Å; I157-R159 VanDerWaalsContact C-N 3.33Å; I157-R159 PolarHBondContact O-N 3.43Å; I157-E160 PolarHBondContact O-N 2.85Å; I157-E160 VanDerWaalsContact O-N 3.09Å; I157-V161 HydrophobicContact CG2-CG2 4.41Å; I157-V161 PolarHBondContact O-N 2.78Å |
| 158 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.1 | -36.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V68 K154 F155 E160 V161 A162 A238 M241 Y245 | V68-A158 HydrophobicContact CG1-CB 3.71Å; K154-A158 VanDerWaalsContact O-CB 3.28Å; K154-A158 WeakPolarHBondContact O-CB 3.32Å; K154-A158 PolarHBondContact O-N 2.91Å; F155-A158 PolarHBondContact O-N 3.03Å; A158-E160 VanDerWaalsContact C-N 3.31Å; A158-E160 PolarHBondContact O-N 3.13Å; A158-V161 PolarHBondContact O-N 3.19Å; A158-A162 WeakPolarHBondContact O-CB 3.33Å; A158-A162 PolarHBondContact O-N 3.38Å; A158-A238 HydrophobicContact CB-CB 3.87Å; A158-M241 HydrophobicContact CB-SD 3.87Å; A158-Y245 HydrophobicContact CB-CD1 3.98Å; A158-Y245 HydrophobicContact CB-CE1 3.57Å |
| 159 | R | 97.6 | Very high | 97 | Very high | 21 Ų | 21 | 19.1 Ų | 19.1 | 8% | 0.079 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64 | -35.1 | 174.6 | 64.1 | -178.3 | -69.9 | -82.4 | -1 | 112.4 | F155 A156 I157 R163 D235 A238 Y253 | F155-R159 WeakPolarHBondContact O-CG 3.34Å; F155-R159 PolarHBondContact O-N 3.16Å; A156-R159 WeakPolarHBondContact O-CG 3.21Å; I157-R159 VanDerWaalsContact C-N 3.33Å; I157-R159 PolarHBondContact O-N 3.43Å; R159-R163 WeakPolarHBondContact O-CB 3.3Å; R159-R163 PolarHBondContact O-N 2.91Å; R159-D235 IonicContact CZ-OD1 3.28Å; R159-D235 IonicContact NE-OD1 3.31Å; R159-D235 PolarHBondContact NE-OD1 3.28Å; R159-A238 HydrophobicContact CB-CB 4.03Å; R159-Y253 PolarHBondContact NE-OH 3.35Å; R159-Y253 VanDerWaalsContact NE-OH 3.15Å |
| 160 | E | 97.4 | Very high | 97.1 | Very high | 13 Ų | 13 | 19.6 Ų | 19.6 | 6% | 0.061 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -71.8 | -40.4 | 174.3 | -68.4 | -54.6 | 132.7 | 0 | 0 | 111.4 | P90 I104 I157 A158 A162 R163 L164 | P90-E160 HydrophobicContact CB-CG 4.05Å; I104-E160 HydrophobicContact CD1-CB 4.03Å; I104-E160 HydrophobicContact CG1-CB 4.29Å; I104-E160 HydrophobicContact CG2-CB 4.42Å; I157-E160 PolarHBondContact O-N 2.85Å; I157-E160 VanDerWaalsContact O-N 3.09Å; A158-E160 VanDerWaalsContact C-N 3.31Å; A158-E160 PolarHBondContact O-N 3.13Å; E160-A162 VanDerWaalsContact C-N 3.35Å; E160-A162 PolarHBondContact O-N 3.49Å; E160-R163 PolarHBondContact O-N 3.25Å; E160-R163 IonicContact OE2-CZ 3.61Å; E160-R163 VanDerWaalsContact OE2-CZ 3.31Å; E160-R163 IonicContact OE2-NE 3.96Å; E160-R163 PolarHBondContact OE2-NE 3.43Å; E160-R163 IonicContact OE2-NH2 2.75Å; E160-R163 PolarHBondContact OE2-NH2 2.93Å; E160-L164 WeakPolarHBondContact O-CG 3.16Å; E160-L164 PolarHBondContact O-N 3.28Å |
| 161 | V | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.8 | -48.1 | 171.9 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | V68 L69 F72 I74 F80 I104 I157 A158 R163 L164 Q165 | V68-V161 HydrophobicContact CG1-CG2 4.18Å; L69-V161 HydrophobicContact CD2-CG1 4.16Å; L69-V161 HydrophobicContact CD2-CG2 3.94Å; F72-V161 HydrophobicContact CD1-CG1 4.22Å; F72-V161 HydrophobicContact CG-CG1 4.23Å; I74-V161 HydrophobicContact CD1-CG1 3.9Å; I74-V161 HydrophobicContact CG1-CG1 4.05Å; F80-V161 HydrophobicContact CE1-CG1 4.14Å; F80-V161 HydrophobicContact CZ-CG1 4.28Å; I104-V161 HydrophobicContact CD1-CB 4.32Å; I104-V161 HydrophobicContact CD1-CG2 3.4Å; I157-V161 HydrophobicContact CG2-CG2 4.41Å; I157-V161 PolarHBondContact O-N 2.78Å; A158-V161 PolarHBondContact O-N 3.19Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 3.49Å; V161-L164 PolarHBondContact O-N 3.23Å; V161-Q165 WeakPolarHBondContact O-CB 3.35Å; V161-Q165 PolarHBondContact O-N 2.91Å |
| 162 | A | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.8 | -41.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | F72 A158 E160 S166 R237 | F72-A162 HydrophobicContact CE2-CB 3.78Å; F72-A162 HydrophobicContact CZ-CB 3.53Å; A158-A162 WeakPolarHBondContact O-CB 3.33Å; A158-A162 PolarHBondContact O-N 3.38Å; E160-A162 VanDerWaalsContact C-N 3.35Å; E160-A162 PolarHBondContact O-N 3.49Å; A162-S166 VanDerWaalsContact O-CB 3.31Å; A162-S166 WeakPolarHBondContact O-CB 3.32Å; A162-S166 PolarHBondContact O-N 3.08Å; A162-S166 PolarHBondContact O-OG 3.1Å; A162-R237 HydrophobicContact CB-CB 4.05Å |
| 163 | R | 96.8 | Very high | 96.9 | Very high | 43 Ų | 43 | 19.6 Ų | 19.6 | 16% | 0.162 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -64.8 | -45.4 | 178.3 | -171.8 | -179.6 | 65.1 | 75.7 | 3.2 | 112.3 | G92 R159 E160 V161 S166 G168 I230 S234 | G92-R163 VanDerWaalsContact C-NH2 3.27Å; G92-R163 PolarHBondContact O-NH2 3.3Å; R159-R163 WeakPolarHBondContact O-CB 3.3Å; R159-R163 PolarHBondContact O-N 2.91Å; E160-R163 PolarHBondContact O-N 3.25Å; E160-R163 IonicContact OE2-CZ 3.61Å; E160-R163 VanDerWaalsContact OE2-CZ 3.31Å; E160-R163 IonicContact OE2-NE 3.96Å; E160-R163 PolarHBondContact OE2-NE 3.43Å; E160-R163 IonicContact OE2-NH2 2.75Å; E160-R163 PolarHBondContact OE2-NH2 2.93Å; V161-R163 VanDerWaalsContact C-N 3.32Å; V161-R163 PolarHBondContact O-N 3.49Å; R163-S166 PolarHBondContact O-OG 3.22Å; R163-G168 PolarHBondContact O-N 2.86Å; R163-I230 HydrophobicContact CG-CG2 3.59Å; R163-S234 WeakPolarHBondContact CA-OG 3.23Å; R163-S234 WeakPolarHBondContact CB-OG 3.47Å |
| 164 | L | 96.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -72.7 | -41.7 | -179.7 | -63.4 | 176.1 | 0 | 0 | 0 | 111.2 | F80 P96 A102 I104 E160 V161 S166 G167 P169 | F80-L164 HydrophobicContact CE1-CB 4.23Å; P96-L164 WeakPolarHBondContact CD-O 3.13Å; P96-L164 HydrophobicContact CG-CB 4.39Å; A102-L164 HydrophobicContact CB-CB 4.24Å; A102-L164 HydrophobicContact CB-CD1 3.9Å; I104-L164 HydrophobicContact CD1-CD1 4.24Å; I104-L164 HydrophobicContact CG1-CD1 3.84Å; E160-L164 WeakPolarHBondContact O-CG 3.16Å; E160-L164 PolarHBondContact O-N 3.28Å; V161-L164 PolarHBondContact O-N 3.23Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 2.94Å; L164-G167 PolarHBondContact O-N 3.44Å; L164-G167 VanDerWaalsContact O-N 3.13Å; L164-P169 HydrophobicContact CD2-CG 3.66Å |
| 165 | Q | 95.6 | Very high | 96.7 | Very high | 72 Ų | 72 | 19.4 Ų | 19.4 | 34% | 0.336 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -64.5 | -31.9 | 178.5 | -173.3 | 62.6 | 17.6 | 0 | 0 | 113.1 | I74 F80 V161 G167 | I74-Q165 HydrophobicContact CD1-CB 4.44Å; I74-Q165 HydrophobicContact CD1-CG 3.99Å; F80-Q165 HydrophobicContact CZ-CB 4.28Å; V161-Q165 WeakPolarHBondContact O-CB 3.35Å; V161-Q165 PolarHBondContact O-N 2.91Å; Q165-G167 PolarHBondContact O-N 2.75Å |
| 166 | S | 93.9 | Very high | 96.6 | Very high | 34 Ų | 34 | 20.3 Ų | 20.3 | 24% | 0.238 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.4 | 176.7 | 57.5 | 0 | 0 | 0 | 0 | 114.1 | A162 R163 L164 | A162-S166 VanDerWaalsContact O-CB 3.31Å; A162-S166 WeakPolarHBondContact O-CB 3.32Å; A162-S166 PolarHBondContact O-N 3.08Å; A162-S166 PolarHBondContact O-OG 3.1Å; R163-S166 PolarHBondContact O-OG 3.22Å; L164-S166 VanDerWaalsContact C-N 3.3Å; L164-S166 PolarHBondContact O-N 2.94Å |
| 167 | G | 95.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 21.1 Ų | 21.1 | 5% | 0.052 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 22 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | W97 L164 Q165 P169 V170 L171 | W97-G167 VanDerWaalsContact CH2-CA 3.44Å; L164-G167 PolarHBondContact O-N 3.44Å; L164-G167 VanDerWaalsContact O-N 3.13Å; Q165-G167 PolarHBondContact O-N 2.75Å; G167-P169 VanDerWaalsContact C-N 3.32Å; G167-V170 PolarHBondContact O-N 3.06Å; G167-L171 PolarHBondContact O-N 3.49Å |
| 168 | G | 95.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -44.6 | -51 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R163 V170 L171 T172 | R163-G168 PolarHBondContact O-N 2.86Å; G168-V170 VanDerWaalsContact C-N 3.34Å; G168-V170 PolarHBondContact O-N 2.82Å; G168-L171 PolarHBondContact O-N 3.32Å; G168-T172 PolarHBondContact O-N 3.36Å; G168-T172 PolarHBondContact O-OG1 3.14Å; G168-T172 VanDerWaalsContact O-OG1 3.1Å |
| 169 | P | 95.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.019 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -49.5 | -47.1 | 173.8 | -36 | 42.7 | 0 | 0 | 0 | 115.5 | H35 G94 V95 L164 G167 A173 | H35-P169 HydrophobicContact CB-CB 4.28Å; G94-P169 WeakPolarHBondContact O-CG 3.37Å; V95-P169 HydrophobicContact CG2-CB 4.41Å; L164-P169 HydrophobicContact CD2-CG 3.66Å; G167-P169 VanDerWaalsContact C-N 3.32Å; P169-A173 WeakPolarHBondContact O-CB 3.41Å; P169-A173 PolarHBondContact O-N 3.46Å |
| 170 | V | 97.4 | Very high | 96.1 | Very high | 42 Ų | 42 | 30.6 Ų | 30.6 | 26% | 0.255 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -69.5 | -43.9 | -177.9 | 177.3 | 0 | 0 | 0 | 0 | 110.6 | F28 M32 V95 W97 G167 G168 A173 A174 | F28-V170 HydrophobicContact CZ-CG1 4.3Å; M32-V170 HydrophobicContact CE-CG2 3.87Å; M32-V170 HydrophobicContact SD-CG2 4.21Å; V95-V170 HydrophobicContact CG1-CG2 4.42Å; V95-V170 HydrophobicContact CG2-CG2 3.94Å; W97-V170 HydrophobicContact CZ2-CG2 3.98Å; G167-V170 PolarHBondContact O-N 3.06Å; G168-V170 VanDerWaalsContact C-N 3.34Å; G168-V170 PolarHBondContact O-N 2.82Å; V170-A173 PolarHBondContact O-N 2.85Å; V170-A174 WeakPolarHBondContact O-CB 3.31Å; V170-A174 PolarHBondContact O-N 2.66Å |
| 171 | L | 96.8 | Very high | 95.9 | Very high | 67 Ų | 67 | 31 Ų | 31 | 35% | 0.351 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 177.8 | -65.4 | 174.6 | 0 | 0 | 0 | 110.8 | G167 G168 A173 A174 L226 W229 I230 | G167-L171 PolarHBondContact O-N 3.49Å; G168-L171 PolarHBondContact O-N 3.32Å; L171-A173 PolarHBondContact O-N 2.78Å; L171-A174 PolarHBondContact O-N 3.39Å; L171-L226 HydrophobicContact CB-CD1 4.27Å; L171-L226 HydrophobicContact CB-CD2 3.98Å; L171-L226 WeakPolarHBondContact O-CD2 3.47Å; L171-W229 HydrophobicContact CD1-CH2 4.34Å; L171-W229 HydrophobicContact CD1-CZ3 3.72Å; L171-I230 HydrophobicContact CB-CD1 4.43Å |
| 172 | T | 94.8 | Very high | 95.7 | Very high | 59 Ų | 59 | 31.9 Ų | 31.9 | 36% | 0.362 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.6 | -43.6 | 177.2 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | G168 A174 V175 | G168-T172 PolarHBondContact O-N 3.36Å; G168-T172 PolarHBondContact O-OG1 3.14Å; G168-T172 VanDerWaalsContact O-OG1 3.1Å; T172-A174 VanDerWaalsContact C-N 3.25Å; T172-A174 PolarHBondContact O-N 2.85Å; T172-V175 PolarHBondContact O-N 3.37Å |
| 173 | A | 95.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.6 | -27.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F28 N31 M32 P169 V170 L171 P177 | F28-A173 HydrophobicContact CD2-CB 4.07Å; F28-A173 HydrophobicContact CE2-CB 3.93Å; N31-A173 HydrophobicContact CB-CB 3.71Å; M32-A173 HydrophobicContact CG-CB 3.63Å; M32-A173 HydrophobicContact SD-CB 3.47Å; M32-A173 WeakPolarHBondContact SD-CB 3.41Å; P169-A173 WeakPolarHBondContact O-CB 3.41Å; P169-A173 PolarHBondContact O-N 3.46Å; V170-A173 PolarHBondContact O-N 2.85Å; L171-A173 PolarHBondContact O-N 2.78Å; A173-P177 WeakPolarHBondContact O-CD 3.43Å |
| 174 | A | 97.1 | Very high | 95.4 | Very high | 38 Ų | 38 | 37.4 Ų | 37.4 | 31% | 0.314 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -77.6 | -18.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | F28 V170 L171 T172 A176 P177 F178 | F28-A174 HydrophobicContact CE2-CB 4.26Å; V170-A174 WeakPolarHBondContact O-CB 3.31Å; V170-A174 PolarHBondContact O-N 2.66Å; L171-A174 PolarHBondContact O-N 3.39Å; T172-A174 VanDerWaalsContact C-N 3.25Å; T172-A174 PolarHBondContact O-N 2.85Å; A174-A176 PolarHBondContact O-N 3.28Å; A174-P177 WeakPolarHBondContact O-CD 3.26Å; A174-F178 VanDerWaalsContact O-CB 3.25Å; A174-F178 WeakPolarHBondContact O-CB 3.35Å; A174-F178 PolarHBondContact O-N 2.9Å |
| 175 | V | 96.2 | Very high | 95.2 | Very high | 6 Ų | 6 | 40.6 Ų | 40.6 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.3 | -50.5 | -176.5 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | T172 F178 C179 Y219 T222 L226 | T172-V175 PolarHBondContact O-N 3.37Å; V175-F178 WeakPolarHBondContact O-CB 3.41Å; V175-F178 PolarHBondContact O-N 3.21Å; V175-C179 PolarHBondContact O-N 3.36Å; V175-C179 PolarHBondContact O-SG 3.5Å; V175-C179 VanDerWaalsContact O-SG 3.33Å; V175-Y219 HydrophobicContact CG1-CD2 3.9Å; V175-Y219 HydrophobicContact CG1-CE2 4.13Å; V175-T222 HydrophobicContact CG1-CG2 3.9Å; V175-T222 HydrophobicContact CG2-CG2 4.44Å; V175-L226 HydrophobicContact CG2-CD2 3.32Å |
| 176 | A | 94.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 41 Ų | 41 | 16% | 0.157 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V27 A174 F178 C179 L180 Y219 | V27-A176 HydrophobicContact CG1-CB 3.62Å; A174-A176 PolarHBondContact O-N 3.28Å; A176-F178 VanDerWaalsContact C-N 3.32Å; A176-F178 PolarHBondContact O-N 3.01Å; A176-C179 PolarHBondContact O-N 3.34Å; A176-L180 WeakPolarHBondContact O-CB 3.32Å; A176-L180 PolarHBondContact O-N 2.78Å; A176-Y219 HydrophobicContact CB-CD2 4.21Å; A176-Y219 HydrophobicContact CB-CE2 3.83Å |
| 177 | P | 96.3 | Very high | 95 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.8 | -41.2 | 171.6 | -24.5 | 31.2 | 0 | 0 | 0 | 113.7 | C24 V27 F28 A173 A174 L180 G181 | C24-P177 HydrophobicContact CB-CB 4.05Å; C24-P177 PolarHBondContact SG-O 3.17Å; V27-P177 HydrophobicContact CG1-CG 4.35Å; F28-P177 HydrophobicContact CB-CG 3.71Å; F28-P177 HydrophobicContact CD2-CG 4.28Å; A173-P177 WeakPolarHBondContact O-CD 3.43Å; A174-P177 WeakPolarHBondContact O-CD 3.26Å; P177-L180 PolarHBondContact O-N 2.81Å; P177-G181 PolarHBondContact O-N 3.42Å |
| 178 | F | 96.2 | Very high | 94.8 | Very high | 152 Ų | 152 | 42.2 Ų | 42.2 | 67% | 0.667 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -61.6 | -49.7 | 177.7 | 176 | -100.2 | 0 | 0 | 0 | 111.4 | A174 V175 A176 L180 G181 G182 | A174-F178 VanDerWaalsContact O-CB 3.25Å; A174-F178 WeakPolarHBondContact O-CB 3.35Å; A174-F178 PolarHBondContact O-N 2.9Å; V175-F178 WeakPolarHBondContact O-CB 3.41Å; V175-F178 PolarHBondContact O-N 3.21Å; A176-F178 VanDerWaalsContact C-N 3.32Å; A176-F178 PolarHBondContact O-N 3.01Å; F178-L180 VanDerWaalsContact C-N 3.34Å; F178-L180 PolarHBondContact O-N 2.68Å; F178-G181 PolarHBondContact O-N 2.61Å; F178-G182 PolarHBondContact O-N 2.78Å |
| 179 | C | 95.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 45.7 Ų | 45.7 | 5% | 0.054 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -33.8 | 178.5 | -63.4 | 0 | 0 | 0 | 0 | 112.6 | V175 A176 G182 V183 Y219 | V175-C179 PolarHBondContact O-N 3.36Å; V175-C179 PolarHBondContact O-SG 3.5Å; V175-C179 VanDerWaalsContact O-SG 3.33Å; A176-C179 PolarHBondContact O-N 3.34Å; C179-G182 CarbonylContact O-C 3.56Å; C179-G182 WeakPolarHBondContact O-CA 3.18Å; C179-G182 PolarHBondContact O-N 2.91Å; C179-G182 VanDerWaalsContact O-N 3.15Å; C179-V183 PolarHBondContact O-N 2.99Å; C179-Y219 VanDerWaalsContact SG-CA 3.5Å |
| 180 | L | 93.9 | Very high | 94.4 | Very high | 59 Ų | 59 | 47.3 Ų | 47.3 | 31% | 0.309 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.6 | -41.8 | 173.9 | -175.2 | 64.4 | 0 | 0 | 0 | 111.7 | L20 A176 P177 F178 G182 V183 W184 | L20-L180 HydrophobicContact CD1-CD2 4.39Å; L20-L180 HydrophobicContact CD1-CG 4.01Å; A176-L180 WeakPolarHBondContact O-CB 3.32Å; A176-L180 PolarHBondContact O-N 2.78Å; P177-L180 PolarHBondContact O-N 2.81Å; F178-L180 VanDerWaalsContact C-N 3.34Å; F178-L180 PolarHBondContact O-N 2.68Å; L180-G182 VanDerWaalsContact C-N 3.28Å; L180-G182 PolarHBondContact O-N 2.86Å; L180-V183 WeakPolarHBondContact O-CB 3.46Å; L180-V183 PolarHBondContact O-N 3.13Å; L180-W184 PolarHBondContact O-N 3.31Å |
| 181 | G | 93.9 | Very high | 94.1 | Very high | 22 Ų | 22 | 46.4 Ų | 46.4 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -41 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P177 F178 V183 W184 V185 | P177-G181 PolarHBondContact O-N 3.42Å; F178-G181 PolarHBondContact O-N 2.61Å; G181-V183 PolarHBondContact O-N 3.37Å; G181-W184 WeakPolarHBondContact O-CB 3.4Å; G181-W184 PolarHBondContact O-N 2.91Å; G181-W184 VanDerWaalsContact O-N 3.16Å; G181-V185 PolarHBondContact O-N 3.02Å |
| 182 | G | 94.4 | Very high | 93.8 | Very high | 18 Ų | 18 | 49.7 Ų | 49.7 | 19% | 0.186 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.8 | -42.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | F178 C179 L180 W184 V185 Y186 | F178-G182 PolarHBondContact O-N 2.78Å; C179-G182 CarbonylContact O-C 3.56Å; C179-G182 WeakPolarHBondContact O-CA 3.18Å; C179-G182 PolarHBondContact O-N 2.91Å; C179-G182 VanDerWaalsContact O-N 3.15Å; L180-G182 VanDerWaalsContact C-N 3.28Å; L180-G182 PolarHBondContact O-N 2.86Å; G182-W184 VanDerWaalsContact C-N 3.26Å; G182-W184 PolarHBondContact O-N 3.1Å; G182-V185 PolarHBondContact O-N 2.75Å; G182-V185 VanDerWaalsContact O-N 3.08Å; G182-Y186 VanDerWaalsContact O-CD2 3.25Å; G182-Y186 WeakPolarHBondContact O-CD2 3.36Å; G182-Y186 VanDerWaalsContact O-CG 3.22Å; G182-Y186 PolarHBondContact O-N 3.26Å |
| 183 | V | 94.9 | Very high | 93.6 | Very high | 27 Ų | 27 | 52 Ų | 52 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.1 | -41.7 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | C179 L180 G181 S187 L212 | C179-V183 PolarHBondContact O-N 2.99Å; L180-V183 WeakPolarHBondContact O-CB 3.46Å; L180-V183 PolarHBondContact O-N 3.13Å; G181-V183 PolarHBondContact O-N 3.37Å; V183-S187 VanDerWaalsContact O-CB 3.23Å; V183-S187 WeakPolarHBondContact O-CB 3.27Å; V183-S187 PolarHBondContact O-N 3.41Å; V183-L212 HydrophobicContact CG1-CD1 4.49Å |
| 184 | W | 91.9 | Very high | 93.3 | Very high | 132 Ų | 132 | 58 Ų | 58 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 177.3 | 177.4 | 73.9 | 0 | 0 | 0 | 111.6 | L20 L180 G181 G182 S187 V188 | L20-W184 HydrophobicContact CD2-CB 3.81Å; L20-W184 HydrophobicContact CD2-CD2 4.06Å; L20-W184 HydrophobicContact CD2-CE3 4.33Å; L20-W184 HydrophobicContact CD2-CG 3.84Å; L180-W184 PolarHBondContact O-N 3.31Å; G181-W184 WeakPolarHBondContact O-CB 3.4Å; G181-W184 PolarHBondContact O-N 2.91Å; G181-W184 VanDerWaalsContact O-N 3.16Å; G182-W184 VanDerWaalsContact C-N 3.26Å; G182-W184 PolarHBondContact O-N 3.1Å; W184-S187 WeakPolarHBondContact O-CB 3.31Å; W184-S187 PolarHBondContact O-N 3.01Å; W184-V188 HydrophobicContact CZ2-CG2 4.49Å; W184-V188 WeakPolarHBondContact O-CG2 3.17Å; W184-V188 PolarHBondContact O-N 2.96Å |
| 185 | V | 93 | Very high | 92.9 | Very high | 69 Ų | 69 | 59 Ų | 59 | 42% | 0.418 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.4 | -50.4 | 175.9 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | G181 G182 S187 V188 V189 | G181-V185 PolarHBondContact O-N 3.02Å; G182-V185 PolarHBondContact O-N 2.75Å; G182-V185 VanDerWaalsContact O-N 3.08Å; V185-S187 VanDerWaalsContact C-N 3.26Å; V185-S187 PolarHBondContact O-N 3.05Å; V185-V188 PolarHBondContact O-N 3.28Å; V185-V188 VanDerWaalsContact O-N 3.13Å; V185-V189 HydrophobicContact CG1-CG2 4.09Å; V185-V189 WeakPolarHBondContact O-CG2 3.43Å; V185-V189 PolarHBondContact O-N 2.83Å |
| 186 | Y | 93.9 | Very high | 92.4 | Very high | 81 Ų | 81 | 59.4 Ų | 59.4 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.8 | -43.6 | 176.8 | -62 | -34.5 | 0 | 0 | 0 | 111.5 | G182 V188 V189 L190 I214 S218 | G182-Y186 VanDerWaalsContact O-CD2 3.25Å; G182-Y186 WeakPolarHBondContact O-CD2 3.36Å; G182-Y186 VanDerWaalsContact O-CG 3.22Å; G182-Y186 PolarHBondContact O-N 3.26Å; Y186-V188 PolarHBondContact O-N 2.73Å; Y186-V189 PolarHBondContact O-N 3.25Å; Y186-L190 VanDerWaalsContact O-CB 3.26Å; Y186-L190 WeakPolarHBondContact O-CB 3.5Å; Y186-L190 WeakPolarHBondContact O-CD1 3.39Å; Y186-L190 WeakPolarHBondContact O-CG 3.22Å; Y186-L190 PolarHBondContact O-N 2.92Å; Y186-I214 HydrophobicContact CD2-CB 4.11Å; Y186-I214 HydrophobicContact CD2-CG2 3.7Å; Y186-I214 HydrophobicContact CE1-CG2 4.39Å; Y186-I214 HydrophobicContact CE2-CB 4.32Å; Y186-I214 HydrophobicContact CE2-CG2 3.52Å; Y186-I214 HydrophobicContact CG-CG2 4.23Å; Y186-S218 PolarHBondContact OH-OG 3.11Å; Y186-S218 VanDerWaalsContact OH-OG 3.09Å |
| 187 | S | 91.6 | Very high | 91.6 | Very high | 15 Ų | 15 | 63.6 Ų | 63.6 | 11% | 0.105 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 177 | 179.4 | 0 | 0 | 0 | 0 | 111.2 | V183 W184 V185 K191 N208 | V183-S187 VanDerWaalsContact O-CB 3.23Å; V183-S187 WeakPolarHBondContact O-CB 3.27Å; V183-S187 PolarHBondContact O-N 3.41Å; W184-S187 WeakPolarHBondContact O-CB 3.31Å; W184-S187 PolarHBondContact O-N 3.01Å; V185-S187 VanDerWaalsContact C-N 3.26Å; V185-S187 PolarHBondContact O-N 3.05Å; S187-K191 WeakPolarHBondContact O-CB 3.38Å; S187-K191 WeakPolarHBondContact O-CE 3.34Å; S187-K191 PolarHBondContact O-N 2.84Å; S187-K191 VanDerWaalsContact OG-CE 3.32Å; S187-K191 WeakPolarHBondContact OG-CE 3.14Å; S187-K191 PolarHBondContact OG-NZ 2.91Å; S187-N208 PolarHBondContact OG-OD1 3.04Å |
| 188 | V | 90.4 | Very high | 90.6 | Very high | 48 Ų | 48 | 66.7 Ų | 66.7 | 29% | 0.291 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.8 | -51 | 179.5 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | W184 V185 Y186 L190 K191 Q192 | W184-V188 HydrophobicContact CZ2-CG2 4.49Å; W184-V188 WeakPolarHBondContact O-CG2 3.17Å; W184-V188 PolarHBondContact O-N 2.96Å; V185-V188 PolarHBondContact O-N 3.28Å; V185-V188 VanDerWaalsContact O-N 3.13Å; Y186-V188 PolarHBondContact O-N 2.73Å; V188-L190 PolarHBondContact O-N 2.75Å; V188-K191 PolarHBondContact O-N 3.29Å; V188-Q192 PolarHBondContact O-N 2.94Å |
| 189 | V | 92.3 | Very high | 89.6 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 44% | 0.442 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | -176.8 | 172.6 | 0 | 0 | 0 | 0 | 111.3 | V185 Y186 K191 Q192 V193 | V185-V189 HydrophobicContact CG1-CG2 4.09Å; V185-V189 WeakPolarHBondContact O-CG2 3.43Å; V185-V189 PolarHBondContact O-N 2.83Å; Y186-V189 PolarHBondContact O-N 3.25Å; V189-K191 VanDerWaalsContact C-N 3.34Å; V189-K191 PolarHBondContact O-N 2.91Å; V189-Q192 WeakPolarHBondContact O-CB 3.47Å; V189-Q192 PolarHBondContact O-N 2.71Å; V189-Q192 VanDerWaalsContact O-N 3.12Å; V189-V193 HydrophobicContact CG1-CG2 4.16Å; V189-V193 VanDerWaalsContact O-CG2 3.32Å; V189-V193 WeakPolarHBondContact O-CG2 3.15Å; V189-V193 PolarHBondContact O-N 3.42Å |
| 190 | L | 91.8 | Very high | 89 | Confident | 37 Ų | 37 | 63.8 Ų | 63.8 | 19% | 0.194 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62 | -42.9 | 179 | -70 | 168.8 | 0 | 0 | 0 | 111.3 | Y186 V188 Q192 V193 F194 V207 V210 A211 I214 | Y186-L190 VanDerWaalsContact O-CB 3.26Å; Y186-L190 WeakPolarHBondContact O-CB 3.5Å; Y186-L190 WeakPolarHBondContact O-CD1 3.39Å; Y186-L190 WeakPolarHBondContact O-CG 3.22Å; Y186-L190 PolarHBondContact O-N 2.92Å; V188-L190 PolarHBondContact O-N 2.75Å; L190-Q192 VanDerWaalsContact C-N 3.27Å; L190-Q192 PolarHBondContact O-N 2.86Å; L190-V193 PolarHBondContact O-N 3.09Å; L190-F194 HydrophobicContact CB-CD2 4.46Å; L190-F194 HydrophobicContact CD2-CE2 3.99Å; L190-F194 WeakPolarHBondContact O-CD2 3.44Å; L190-F194 PolarHBondContact O-N 2.92Å; L190-V207 HydrophobicContact CB-CG1 3.41Å; L190-V207 VanDerWaalsContact CB-CG1 3.41Å; L190-V207 HydrophobicContact CD1-CG1 4.22Å; L190-V207 HydrophobicContact CG-CG1 4.47Å; L190-V210 HydrophobicContact CD1-CG1 4.19Å; L190-A211 HydrophobicContact CD1-CB 4.19Å; L190-I214 HydrophobicContact CD1-CD1 4.09Å |
| 191 | K | 91.3 | Very high | 88.5 | Confident | 24 Ų | 24 | 68 Ų | 68 | 10% | 0.104 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 175.8 | -81.3 | 176.3 | -68.6 | -153.3 | 0 | 112.2 | S187 V188 V189 G195 L196 R204 V207 N208 | S187-K191 WeakPolarHBondContact O-CB 3.38Å; S187-K191 WeakPolarHBondContact O-CE 3.34Å; S187-K191 PolarHBondContact O-N 2.84Å; S187-K191 VanDerWaalsContact OG-CE 3.32Å; S187-K191 WeakPolarHBondContact OG-CE 3.14Å; S187-K191 PolarHBondContact OG-NZ 2.91Å; V188-K191 PolarHBondContact O-N 3.29Å; V189-K191 VanDerWaalsContact C-N 3.34Å; V189-K191 PolarHBondContact O-N 2.91Å; K191-G195 PolarHBondContact O-N 3.43Å; K191-L196 HydrophobicContact CG-CB 4.44Å; K191-L196 PolarHBondContact O-N 3.36Å; K191-R204 HydrophobicContact CD-CG 4.44Å; K191-V207 HydrophobicContact CG-CB 4.32Å; K191-V207 HydrophobicContact CG-CG1 3.85Å; K191-N208 PolarHBondContact NZ-OD1 3.32Å |
| 192 | Q | 90.3 | Very high | 88.1 | Confident | 135 Ų | 135 | 74.4 Ų | 74.4 | 63% | 0.631 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -69.4 | -48.7 | 177 | -174.9 | 172.7 | -8.2 | 0 | 0 | 111.7 | V188 V189 L190 F194 G195 H197 | V188-Q192 PolarHBondContact O-N 2.94Å; V189-Q192 WeakPolarHBondContact O-CB 3.47Å; V189-Q192 PolarHBondContact O-N 2.71Å; V189-Q192 VanDerWaalsContact O-N 3.12Å; L190-Q192 VanDerWaalsContact C-N 3.27Å; L190-Q192 PolarHBondContact O-N 2.86Å; Q192-F194 VanDerWaalsContact C-N 3.31Å; Q192-F194 PolarHBondContact O-N 2.96Å; Q192-G195 PolarHBondContact O-N 3.07Å; Q192-H197 PolarHBondContact N-NE2 3.01Å |
| 193 | V | 90.4 | Very high | 87.8 | Confident | 108 Ų | 108 | 78.4 Ų | 78.4 | 66% | 0.655 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -60.2 | -40.8 | 180 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | V189 L190 G195 | V189-V193 HydrophobicContact CG1-CG2 4.16Å; V189-V193 VanDerWaalsContact O-CG2 3.32Å; V189-V193 WeakPolarHBondContact O-CG2 3.15Å; V189-V193 PolarHBondContact O-N 3.42Å; L190-V193 PolarHBondContact O-N 3.09Å; V193-G195 VanDerWaalsContact C-N 3.32Å; V193-G195 PolarHBondContact O-N 3.28Å |
| 194 | F | 89.1 | Confident | 87.4 | Confident | 129 Ų | 129 | 81.3 Ų | 81.3 | 57% | 0.566 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 2.9 | 178.1 | -66.3 | -64.2 | 0 | 0 | 0 | 114 | L190 Q192 L196 | L190-F194 HydrophobicContact CB-CD2 4.46Å; L190-F194 HydrophobicContact CD2-CE2 3.99Å; L190-F194 WeakPolarHBondContact O-CD2 3.44Å; L190-F194 PolarHBondContact O-N 2.92Å; Q192-F194 VanDerWaalsContact C-N 3.31Å; Q192-F194 PolarHBondContact O-N 2.96Å; F194-L196 HydrophobicContact CB-CD1 3.57Å; F194-L196 HydrophobicContact CB-CG 3.69Å; F194-L196 HydrophobicContact CG-CD1 4.39Å; F194-L196 WeakPolarHBondContact O-CG 3.45Å; F194-L196 PolarHBondContact O-N 2.92Å |
| 195 | G | 87.9 | Confident | 87.1 | Confident | 59 Ų | 59 | 76.5 Ų | 76.5 | 61% | 0.608 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.6 | 21.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K191 Q192 V193 H197 | K191-G195 PolarHBondContact O-N 3.43Å; Q192-G195 PolarHBondContact O-N 3.07Å; V193-G195 VanDerWaalsContact C-N 3.32Å; V193-G195 PolarHBondContact O-N 3.28Å; G195-H197 PolarHBondContact O-N 2.85Å |
| 196 | L | 86.2 | Confident | 87.1 | Confident | 16 Ų | 16 | 75.7 Ų | 75.7 | 8% | 0.084 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 7.5 | -168.7 | -67 | 173.4 | 0 | 0 | 0 | 114.3 | K191 F194 G198 G199 M203 R204 V207 | K191-L196 HydrophobicContact CG-CB 4.44Å; K191-L196 PolarHBondContact O-N 3.36Å; F194-L196 HydrophobicContact CB-CD1 3.57Å; F194-L196 HydrophobicContact CB-CG 3.69Å; F194-L196 HydrophobicContact CG-CD1 4.39Å; F194-L196 WeakPolarHBondContact O-CG 3.45Å; F194-L196 PolarHBondContact O-N 2.92Å; L196-G198 VanDerWaalsContact C-N 3.31Å; L196-G198 PolarHBondContact O-N 3.38Å; L196-G199 PolarHBondContact O-N 3.3Å; L196-G199 VanDerWaalsContact O-N 3.17Å; L196-M203 HydrophobicContact CD1-CB 4.23Å; L196-M203 HydrophobicContact CD1-CE 4.49Å; L196-M203 HydrophobicContact CD2-CB 3.96Å; L196-M203 HydrophobicContact CD2-CE 4.19Å; L196-M203 HydrophobicContact CD2-SD 3.92Å; L196-R204 HydrophobicContact CB-CG 4.43Å; L196-R204 VanDerWaalsContact O-CD 3.22Å; L196-R204 WeakPolarHBondContact O-CD 3.3Å; L196-R204 WeakPolarHBondContact O-CG 3.18Å; L196-V207 HydrophobicContact CD1-CG2 3.54Å |
| 197 | H | 78.2 | Confident | 86.9 | Confident | 106 Ų | 106 | 72.6 Ų | 72.6 | 49% | 0.491 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -39.6 | 177.4 | -77.7 | -78.9 | 0 | 0 | 0 | 112.6 | Q192 G195 | Q192-H197 PolarHBondContact N-NE2 3.01Å; G195-H197 PolarHBondContact O-N 2.85Å |
| 198 | G | 74.3 | Confident | 86.9 | Confident | 82 Ų | 82 | 75 Ų | 75 | 85% | 0.845 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -94.8 | 1.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L196 | L196-G198 VanDerWaalsContact C-N 3.31Å; L196-G198 PolarHBondContact O-N 3.38Å |
| 199 | G | 75.7 | Confident | 87.1 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 17% | 0.165 | 45% | 0.454 | C | S | . | . | S | Bend | trans | -79.7 | 175.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L196 R204 | L196-G199 PolarHBondContact O-N 3.3Å; L196-G199 VanDerWaalsContact O-N 3.17Å; G199-R204 VanDerWaalsContact O-CZ 3.3Å; G199-R204 PolarHBondContact O-NE 3.28Å; G199-R204 PolarHBondContact O-NH2 2.94Å |
| 200 | P | 84.6 | Confident | 87.3 | Confident | 84 Ų | 84 | 79 Ų | 79 | 55% | 0.545 | 46% | 0.457 | S | S | . | . | trans | -53.9 | 145.3 | 179.5 | -24.9 | 33.7 | 0 | 0 | 0 | 112.9 | L202 M203 R204 | P200-L202 VanDerWaalsContact C-N 3.26Å; P200-L202 PolarHBondContact O-N 3.42Å; P200-M203 PolarHBondContact O-N 2.97Å; P200-R204 PolarHBondContact O-N 2.85Å | ||
| 201 | M | 81.7 | Confident | 87.4 | Confident | 148 Ų | 148 | 77.2 Ų | 77.2 | 73% | 0.729 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.5 | -36.1 | -178.2 | -172.8 | 170 | 178.1 | 0 | 0 | 112.7 | R204 G205 | M201-R204 PolarHBondContact O-N 3.11Å; M201-G205 PolarHBondContact O-N 3.47Å |
| 202 | L | 87.2 | Confident | 87.6 | Confident | 156 Ų | 156 | 81.2 Ų | 81.2 | 82% | 0.817 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.4 | -45.9 | 178.3 | -68.9 | 174.3 | 0 | 0 | 0 | 112.4 | P200 R204 G205 A206 | P200-L202 VanDerWaalsContact C-N 3.26Å; P200-L202 PolarHBondContact O-N 3.42Å; L202-R204 PolarHBondContact O-N 3.14Å; L202-G205 WeakPolarHBondContact O-CA 3.26Å; L202-G205 PolarHBondContact O-N 3.44Å; L202-G205 VanDerWaalsContact O-N 3.15Å; L202-A206 PolarHBondContact O-N 2.92Å |
| 203 | M | 86.8 | Confident | 87.9 | Confident | 102 Ų | 102 | 76.6 Ų | 76.6 | 50% | 0.502 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 178.9 | -67 | -162.2 | 80.5 | 0 | 0 | 112 | L196 P200 G205 A206 V207 | L196-M203 HydrophobicContact CD1-CB 4.23Å; L196-M203 HydrophobicContact CD1-CE 4.49Å; L196-M203 HydrophobicContact CD2-CB 3.96Å; L196-M203 HydrophobicContact CD2-CE 4.19Å; L196-M203 HydrophobicContact CD2-SD 3.92Å; P200-M203 PolarHBondContact O-N 2.97Å; M203-G205 VanDerWaalsContact C-N 3.29Å; M203-G205 PolarHBondContact O-N 2.69Å; M203-A206 PolarHBondContact O-N 2.82Å; M203-V207 WeakPolarHBondContact O-CG2 3.47Å; M203-V207 PolarHBondContact O-N 3.09Å |
| 204 | R | 86.4 | Confident | 88.1 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 33% | 0.332 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.8 | -37.3 | 173 | -70.5 | -177.7 | -73.5 | 177.4 | 1.3 | 112 | K191 L196 G199 P200 M201 L202 N208 | K191-R204 HydrophobicContact CD-CG 4.44Å; L196-R204 HydrophobicContact CB-CG 4.43Å; L196-R204 VanDerWaalsContact O-CD 3.22Å; L196-R204 WeakPolarHBondContact O-CD 3.3Å; L196-R204 WeakPolarHBondContact O-CG 3.18Å; G199-R204 VanDerWaalsContact O-CZ 3.3Å; G199-R204 PolarHBondContact O-NE 3.28Å; G199-R204 PolarHBondContact O-NH2 2.94Å; P200-R204 PolarHBondContact O-N 2.85Å; M201-R204 PolarHBondContact O-N 3.11Å; L202-R204 PolarHBondContact O-N 3.14Å; R204-N208 PolarHBondContact O-N 2.92Å; R204-N208 PolarHBondContact O-ND2 3.13Å |
| 205 | G | 87 | Confident | 88.4 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 31% | 0.309 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.7 | -50.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M201 L202 M203 V207 N208 I209 | M201-G205 PolarHBondContact O-N 3.47Å; L202-G205 WeakPolarHBondContact O-CA 3.26Å; L202-G205 PolarHBondContact O-N 3.44Å; L202-G205 VanDerWaalsContact O-N 3.15Å; M203-G205 VanDerWaalsContact C-N 3.29Å; M203-G205 PolarHBondContact O-N 2.69Å; G205-V207 PolarHBondContact O-N 3.2Å; G205-N208 PolarHBondContact O-N 3.05Å; G205-N208 VanDerWaalsContact O-N 3.12Å; G205-I209 WeakPolarHBondContact O-CG1 3.43Å; G205-I209 PolarHBondContact O-N 3.21Å |
| 206 | A | 91.4 | Very high | 88.6 | Confident | 53 Ų | 53 | 67.9 Ų | 67.9 | 44% | 0.438 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.8 | -45.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L202 M203 N208 I209 V210 | L202-A206 PolarHBondContact O-N 2.92Å; M203-A206 PolarHBondContact O-N 2.82Å; A206-N208 VanDerWaalsContact C-N 3.32Å; A206-N208 PolarHBondContact O-N 2.76Å; A206-I209 WeakPolarHBondContact O-CB 3.36Å; A206-I209 PolarHBondContact O-N 3.35Å; A206-I209 VanDerWaalsContact O-N 3.14Å; A206-V210 WeakPolarHBondContact O-CG2 3.39Å; A206-V210 PolarHBondContact O-N 3.23Å |
| 207 | V | 91.3 | Very high | 89 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 10% | 0.097 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -62.3 | -37.9 | 176.1 | 171.4 | 0 | 0 | 0 | 0 | 112.5 | L190 K191 L196 M203 G205 I209 V210 A211 | L190-V207 HydrophobicContact CB-CG1 3.41Å; L190-V207 VanDerWaalsContact CB-CG1 3.41Å; L190-V207 HydrophobicContact CD1-CG1 4.22Å; L190-V207 HydrophobicContact CG-CG1 4.47Å; K191-V207 HydrophobicContact CG-CB 4.32Å; K191-V207 HydrophobicContact CG-CG1 3.85Å; L196-V207 HydrophobicContact CD1-CG2 3.54Å; M203-V207 WeakPolarHBondContact O-CG2 3.47Å; M203-V207 PolarHBondContact O-N 3.09Å; G205-V207 PolarHBondContact O-N 3.2Å; V207-I209 VanDerWaalsContact C-N 3.32Å; V207-I209 PolarHBondContact O-N 3Å; V207-V210 PolarHBondContact O-N 2.82Å; V207-A211 WeakPolarHBondContact O-CB 3.48Å; V207-A211 PolarHBondContact O-N 3.42Å |
| 208 | N | 91.9 | Very high | 89.8 | Confident | 66 Ų | 66 | 67 Ų | 67 | 35% | 0.353 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.4 | -35.5 | 175.7 | -65.5 | -26.2 | 0 | 0 | 0 | 111.9 | S187 K191 R204 G205 A206 A211 L212 | S187-N208 PolarHBondContact OG-OD1 3.04Å; K191-N208 PolarHBondContact NZ-OD1 3.32Å; R204-N208 PolarHBondContact O-N 2.92Å; R204-N208 PolarHBondContact O-ND2 3.13Å; G205-N208 PolarHBondContact O-N 3.05Å; G205-N208 VanDerWaalsContact O-N 3.12Å; A206-N208 VanDerWaalsContact C-N 3.32Å; A206-N208 PolarHBondContact O-N 2.76Å; N208-A211 PolarHBondContact O-N 2.85Å; N208-L212 WeakPolarHBondContact O-CB 3.48Å; N208-L212 PolarHBondContact O-N 3.38Å |
| 209 | I | 94.3 | Very high | 90.7 | Very high | 123 Ų | 123 | 67.1 Ų | 67.1 | 63% | 0.631 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.8 | -44.1 | 174.2 | -65.5 | 169.9 | 0 | 0 | 0 | 110.2 | G205 A206 V207 L212 G213 | G205-I209 WeakPolarHBondContact O-CG1 3.43Å; G205-I209 PolarHBondContact O-N 3.21Å; A206-I209 WeakPolarHBondContact O-CB 3.36Å; A206-I209 PolarHBondContact O-N 3.35Å; A206-I209 VanDerWaalsContact O-N 3.14Å; V207-I209 VanDerWaalsContact C-N 3.32Å; V207-I209 PolarHBondContact O-N 3Å; I209-L212 WeakPolarHBondContact O-CB 3.4Å; I209-L212 PolarHBondContact O-N 3.29Å; I209-G213 PolarHBondContact O-N 3.45Å |
| 210 | V | 95.4 | Very high | 91.5 | Very high | 81 Ų | 81 | 69.8 Ų | 69.8 | 49% | 0.491 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61 | -47 | 175 | 172.8 | 0 | 0 | 0 | 0 | 111 | L190 A206 V207 L212 G213 I214 | L190-V210 HydrophobicContact CD1-CG1 4.19Å; A206-V210 WeakPolarHBondContact O-CG2 3.39Å; A206-V210 PolarHBondContact O-N 3.23Å; V207-V210 PolarHBondContact O-N 2.82Å; V210-L212 VanDerWaalsContact C-N 3.28Å; V210-L212 PolarHBondContact O-N 3.38Å; V210-G213 PolarHBondContact O-N 3.24Å; V210-G213 VanDerWaalsContact O-N 3.11Å; V210-I214 HydrophobicContact CG1-CD1 3.94Å; V210-I214 HydrophobicContact CG1-CG1 4.45Å; V210-I214 WeakPolarHBondContact O-CG1 3.19Å; V210-I214 PolarHBondContact O-N 2.76Å |
| 211 | A | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L190 V207 N208 I214 G215 | L190-A211 HydrophobicContact CD1-CB 4.19Å; V207-A211 WeakPolarHBondContact O-CB 3.48Å; V207-A211 PolarHBondContact O-N 3.42Å; N208-A211 PolarHBondContact O-N 2.85Å; A211-I214 PolarHBondContact O-N 3.44Å; A211-G215 PolarHBondContact O-N 2.89Å |
| 212 | L | 94.9 | Very high | 92.4 | Very high | 107 Ų | 107 | 66.8 Ų | 66.8 | 56% | 0.56 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.3 | -43.6 | 174.3 | -177.5 | 65.6 | 0 | 0 | 0 | 111.4 | V183 N208 I209 V210 G215 A216 | V183-L212 HydrophobicContact CG1-CD1 4.49Å; N208-L212 WeakPolarHBondContact O-CB 3.48Å; N208-L212 PolarHBondContact O-N 3.38Å; I209-L212 WeakPolarHBondContact O-CB 3.4Å; I209-L212 PolarHBondContact O-N 3.29Å; V210-L212 VanDerWaalsContact C-N 3.28Å; V210-L212 PolarHBondContact O-N 3.38Å; L212-G215 PolarHBondContact O-N 3.28Å; L212-A216 PolarHBondContact O-N 2.9Å |
| 213 | G | 95.8 | Very high | 92.7 | Very high | 38 Ų | 38 | 59.9 Ų | 59.9 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.4 | -46.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | I209 V210 G215 A216 V217 | I209-G213 PolarHBondContact O-N 3.45Å; V210-G213 PolarHBondContact O-N 3.24Å; V210-G213 VanDerWaalsContact O-N 3.11Å; G213-G215 VanDerWaalsContact C-N 3.31Å; G213-G215 PolarHBondContact O-N 3.09Å; G213-A216 PolarHBondContact O-N 3.13Å; G213-V217 WeakPolarHBondContact O-CG2 3.21Å; G213-V217 PolarHBondContact O-N 3.19Å |
| 214 | I | 95.4 | Very high | 92.8 | Very high | 65 Ų | 65 | 56 Ų | 56 | 33% | 0.333 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 175.6 | -62.6 | 167.8 | 0 | 0 | 0 | 110.7 | Y186 L190 V210 A211 V217 S218 | Y186-I214 HydrophobicContact CD2-CB 4.11Å; Y186-I214 HydrophobicContact CD2-CG2 3.7Å; Y186-I214 HydrophobicContact CE1-CG2 4.39Å; Y186-I214 HydrophobicContact CE2-CB 4.32Å; Y186-I214 HydrophobicContact CE2-CG2 3.52Å; Y186-I214 HydrophobicContact CG-CG2 4.23Å; L190-I214 HydrophobicContact CD1-CD1 4.09Å; V210-I214 HydrophobicContact CG1-CD1 3.94Å; V210-I214 HydrophobicContact CG1-CG1 4.45Å; V210-I214 WeakPolarHBondContact O-CG1 3.19Å; V210-I214 PolarHBondContact O-N 2.76Å; A211-I214 PolarHBondContact O-N 3.44Å; I214-V217 PolarHBondContact O-N 3.23Å; I214-S218 WeakPolarHBondContact O-CB 3.25Å; I214-S218 PolarHBondContact O-N 3.25Å; I214-S218 PolarHBondContact O-OG 3.45Å |
| 215 | G | 94.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 54.5 Ų | 54.5 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A211 L212 G213 S218 Y219 | A211-G215 PolarHBondContact O-N 2.89Å; L212-G215 PolarHBondContact O-N 3.28Å; G213-G215 VanDerWaalsContact C-N 3.31Å; G213-G215 PolarHBondContact O-N 3.09Å; G215-S218 WeakPolarHBondContact O-CB 3.4Å; G215-S218 PolarHBondContact O-N 2.67Å; G215-Y219 WeakPolarHBondContact O-CB 3.32Å; G215-Y219 PolarHBondContact O-N 2.84Å |
| 216 | A | 93.1 | Very high | 93.5 | Very high | 45 Ų | 45 | 54.6 Ų | 54.6 | 37% | 0.372 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L212 G213 S218 Y219 F220 | L212-A216 PolarHBondContact O-N 2.9Å; G213-A216 PolarHBondContact O-N 3.13Å; A216-S218 VanDerWaalsContact C-N 3.34Å; A216-S218 PolarHBondContact O-N 3.48Å; A216-Y219 WeakPolarHBondContact O-CB 3.3Å; A216-Y219 PolarHBondContact O-N 3.44Å; A216-F220 WeakPolarHBondContact O-CD2 3.31Å; A216-F220 PolarHBondContact O-N 3.26Å |
| 217 | V | 93.9 | Very high | 93.5 | Very high | 84 Ų | 84 | 53.3 Ų | 53.3 | 51% | 0.509 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.5 | -44.7 | 174.1 | 174.3 | 0 | 0 | 0 | 0 | 111 | G213 I214 Y219 F220 L221 | G213-V217 WeakPolarHBondContact O-CG2 3.21Å; G213-V217 PolarHBondContact O-N 3.19Å; I214-V217 PolarHBondContact O-N 3.23Å; V217-Y219 VanDerWaalsContact C-N 3.27Å; V217-Y219 PolarHBondContact O-N 3.5Å; V217-F220 PolarHBondContact O-N 3.07Å; V217-L221 HydrophobicContact CG1-CD1 3.84Å; V217-L221 HydrophobicContact CG1-CG 4.29Å; V217-L221 WeakPolarHBondContact O-CG 3.35Å; V217-L221 PolarHBondContact O-N 3.11Å |
| 218 | S | 94.9 | Very high | 93.6 | Very high | 21 Ų | 21 | 55.3 Ų | 55.3 | 15% | 0.147 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.3 | -40.6 | 176.5 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | Y186 I214 G215 A216 T222 | Y186-S218 PolarHBondContact OH-OG 3.11Å; Y186-S218 VanDerWaalsContact OH-OG 3.09Å; I214-S218 WeakPolarHBondContact O-CB 3.25Å; I214-S218 PolarHBondContact O-N 3.25Å; I214-S218 PolarHBondContact O-OG 3.45Å; G215-S218 WeakPolarHBondContact O-CB 3.4Å; G215-S218 PolarHBondContact O-N 2.67Å; A216-S218 VanDerWaalsContact C-N 3.34Å; A216-S218 PolarHBondContact O-N 3.48Å; S218-T222 WeakPolarHBondContact O-CB 3.4Å; S218-T222 PolarHBondContact O-N 3.22Å; S218-T222 PolarHBondContact O-OG1 3.47Å |
| 219 | Y | 94.2 | Very high | 93.8 | Very high | 84 Ų | 84 | 59 Ų | 59 | 33% | 0.329 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.5 | -50 | 176.3 | 170 | -101.5 | 0 | 0 | 0 | 112 | V175 A176 C179 G215 A216 V217 L221 T222 S223 | V175-Y219 HydrophobicContact CG1-CD2 3.9Å; V175-Y219 HydrophobicContact CG1-CE2 4.13Å; A176-Y219 HydrophobicContact CB-CD2 4.21Å; A176-Y219 HydrophobicContact CB-CE2 3.83Å; C179-Y219 VanDerWaalsContact SG-CA 3.5Å; G215-Y219 WeakPolarHBondContact O-CB 3.32Å; G215-Y219 PolarHBondContact O-N 2.84Å; A216-Y219 WeakPolarHBondContact O-CB 3.3Å; A216-Y219 PolarHBondContact O-N 3.44Å; V217-Y219 VanDerWaalsContact C-N 3.27Å; V217-Y219 PolarHBondContact O-N 3.5Å; Y219-L221 PolarHBondContact O-N 3Å; Y219-T222 PolarHBondContact O-N 2.84Å; Y219-S223 WeakPolarHBondContact O-CB 3.41Å; Y219-S223 PolarHBondContact O-N 3.38Å |
| 220 | F | 91.4 | Very high | 93.9 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 32% | 0.316 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.4 | -49 | 179.2 | -69.4 | -62.3 | 0 | 0 | 0 | 111.6 | A216 V217 T222 S223 D224 Q288 | A216-F220 WeakPolarHBondContact O-CD2 3.31Å; A216-F220 PolarHBondContact O-N 3.26Å; V217-F220 PolarHBondContact O-N 3.07Å; F220-T222 PolarHBondContact O-N 2.95Å; F220-S223 PolarHBondContact O-N 2.99Å; F220-D224 WeakPolarHBondContact O-CB 3.34Å; F220-D224 PolarHBondContact O-N 3.26Å; F220-Q288 HydrophobicContact CD1-CB 4.47Å; F220-Q288 HydrophobicContact CD1-CG 4.31Å |
| 221 | L | 91.9 | Very high | 93.8 | Very high | 118 Ų | 118 | 50.4 Ų | 50.4 | 62% | 0.618 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | -180 | -65.7 | 177.1 | 0 | 0 | 0 | 112.4 | V217 Y219 A225 | V217-L221 HydrophobicContact CG1-CD1 3.84Å; V217-L221 HydrophobicContact CG1-CG 4.29Å; V217-L221 WeakPolarHBondContact O-CG 3.35Å; V217-L221 PolarHBondContact O-N 3.11Å; Y219-L221 PolarHBondContact O-N 3Å; L221-A225 WeakPolarHBondContact O-CB 3.4Å; L221-A225 PolarHBondContact O-N 2.89Å |
| 222 | T | 94.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 54.3 Ų | 54.3 | 31% | 0.307 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -69.4 | -41 | -179.4 | -53 | 0 | 0 | 0 | 0 | 111.1 | V175 S218 Y219 F220 L226 | V175-T222 HydrophobicContact CG1-CG2 3.9Å; V175-T222 HydrophobicContact CG2-CG2 4.44Å; S218-T222 WeakPolarHBondContact O-CB 3.4Å; S218-T222 PolarHBondContact O-N 3.22Å; S218-T222 PolarHBondContact O-OG1 3.47Å; Y219-T222 PolarHBondContact O-N 2.84Å; F220-T222 PolarHBondContact O-N 2.95Å; T222-L226 WeakPolarHBondContact O-CB 3.47Å; T222-L226 PolarHBondContact O-N 2.67Å |
| 223 | S | 92.2 | Very high | 94 | Very high | 11 Ų | 11 | 50.4 Ų | 50.4 | 8% | 0.077 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 178.2 | -171.3 | 0 | 0 | 0 | 0 | 111.3 | Y219 F220 S227 | Y219-S223 WeakPolarHBondContact O-CB 3.41Å; Y219-S223 PolarHBondContact O-N 3.38Å; F220-S223 PolarHBondContact O-N 2.99Å; S223-S227 VanDerWaalsContact O-CB 3.26Å; S223-S227 WeakPolarHBondContact O-CB 3.41Å; S223-S227 PolarHBondContact O-N 3.32Å; S223-S227 PolarHBondContact O-OG 3.15Å |
| 224 | D | 90.5 | Very high | 94.1 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.5 | -46.4 | 179 | -75 | 6.2 | 0 | 0 | 0 | 111.3 | F220 L226 S227 Q228 Q288 L289 | F220-D224 WeakPolarHBondContact O-CB 3.34Å; F220-D224 PolarHBondContact O-N 3.26Å; D224-L226 VanDerWaalsContact C-N 3.35Å; D224-L226 PolarHBondContact O-N 3.34Å; D224-S227 PolarHBondContact O-N 3.32Å; D224-Q228 WeakPolarHBondContact O-CB 3.47Å; D224-Q228 VanDerWaalsContact O-CG 3.3Å; D224-Q228 WeakPolarHBondContact O-CG 3.48Å; D224-Q228 PolarHBondContact O-N 3.07Å; D224-Q288 WeakPolarHBondContact OD1-CG 3.44Å; D224-Q288 WeakPolarHBondContact OD2-CA 3.42Å; D224-L289 PolarHBondContact OD2-N 3.44Å |
| 225 | A | 92.9 | Very high | 94.2 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 47% | 0.471 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.9 | -43.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L221 Q228 W229 | L221-A225 WeakPolarHBondContact O-CB 3.4Å; L221-A225 PolarHBondContact O-N 2.89Å; A225-Q228 PolarHBondContact O-N 3.29Å; A225-W229 WeakPolarHBondContact O-CB 3.4Å; A225-W229 PolarHBondContact O-N 2.88Å |
| 226 | L | 94.9 | Very high | 94.3 | Very high | 33 Ų | 33 | 51.7 Ų | 51.7 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 177.4 | -178.7 | 66.9 | 0 | 0 | 0 | 111.5 | L171 V175 T222 D224 Q228 W229 I230 | L171-L226 HydrophobicContact CB-CD1 4.27Å; L171-L226 HydrophobicContact CB-CD2 3.98Å; L171-L226 WeakPolarHBondContact O-CD2 3.47Å; V175-L226 HydrophobicContact CG2-CD2 3.32Å; T222-L226 WeakPolarHBondContact O-CB 3.47Å; T222-L226 PolarHBondContact O-N 2.67Å; D224-L226 VanDerWaalsContact C-N 3.35Å; D224-L226 PolarHBondContact O-N 3.34Å; L226-Q228 VanDerWaalsContact C-N 3.31Å; L226-Q228 PolarHBondContact O-N 3.46Å; L226-W229 HydrophobicContact CD1-CE3 3.89Å; L226-W229 HydrophobicContact CD1-CZ3 4.37Å; L226-W229 PolarHBondContact O-N 3.26Å; L226-I230 HydrophobicContact CD1-CD1 4.2Å; L226-I230 HydrophobicContact CD1-CG1 4.28Å; L226-I230 HydrophobicContact CD2-CD1 4.4Å; L226-I230 HydrophobicContact CG-CD1 3.89Å; L226-I230 HydrophobicContact CG-CG1 4.36Å; L226-I230 WeakPolarHBondContact O-CB 3.03Å; L226-I230 VanDerWaalsContact O-CG1 3.29Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 3.49Å |
| 227 | S | 92 | Very high | 94.5 | Very high | 26 Ų | 26 | 55.2 Ų | 55.2 | 18% | 0.182 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 178.1 | -61.4 | 0 | 0 | 0 | 0 | 111.2 | S223 D224 I230 D231 | S223-S227 VanDerWaalsContact O-CB 3.26Å; S223-S227 WeakPolarHBondContact O-CB 3.41Å; S223-S227 PolarHBondContact O-N 3.32Å; S223-S227 PolarHBondContact O-OG 3.15Å; D224-S227 PolarHBondContact O-N 3.32Å; S227-I230 PolarHBondContact O-N 3.46Å; S227-D231 WeakPolarHBondContact O-CB 3.36Å; S227-D231 PolarHBondContact O-N 3.28Å |
| 228 | Q | 93 | Very high | 94.7 | Very high | 58 Ų | 58 | 51.2 Ų | 51.2 | 27% | 0.271 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 174.5 | -71.1 | 176.8 | 9.1 | 0 | 0 | 112.3 | D224 A225 L226 I230 D231 Y232 T292 | D224-Q228 WeakPolarHBondContact O-CB 3.47Å; D224-Q228 VanDerWaalsContact O-CG 3.3Å; D224-Q228 WeakPolarHBondContact O-CG 3.48Å; D224-Q228 PolarHBondContact O-N 3.07Å; A225-Q228 PolarHBondContact O-N 3.29Å; L226-Q228 VanDerWaalsContact C-N 3.31Å; L226-Q228 PolarHBondContact O-N 3.46Å; Q228-I230 VanDerWaalsContact C-N 3.34Å; Q228-I230 PolarHBondContact O-N 3.25Å; Q228-D231 WeakPolarHBondContact O-CB 3.36Å; Q228-D231 PolarHBondContact O-N 3.2Å; Q228-Y232 HydrophobicContact CB-CD2 4.33Å; Q228-Y232 HydrophobicContact CB-CE2 4.22Å; Q228-Y232 WeakPolarHBondContact O-CD2 3.07Å; Q228-Y232 PolarHBondContact O-N 3.39Å; Q228-T292 WeakPolarHBondContact CA-OG1 3.25Å |
| 229 | W | 95.2 | Very high | 94.8 | Very high | 143 Ų | 143 | 50.3 Ų | 50.3 | 54% | 0.542 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.8 | -42.7 | 177.2 | 177.1 | 82.1 | 0 | 0 | 0 | 112.1 | L171 A225 L226 S233 | L171-W229 HydrophobicContact CD1-CH2 4.34Å; L171-W229 HydrophobicContact CD1-CZ3 3.72Å; A225-W229 WeakPolarHBondContact O-CB 3.4Å; A225-W229 PolarHBondContact O-N 2.88Å; L226-W229 HydrophobicContact CD1-CE3 3.89Å; L226-W229 HydrophobicContact CD1-CZ3 4.37Å; L226-W229 PolarHBondContact O-N 3.26Å; W229-S233 WeakPolarHBondContact O-CB 3.11Å; W229-S233 PolarHBondContact O-N 3.49Å; W229-S233 PolarHBondContact O-OG 3.14Å |
| 230 | I | 95.8 | Very high | 94.9 | Very high | 7 Ų | 7 | 48.7 Ų | 48.7 | 4% | 0.036 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.2 | -70.6 | 171.7 | 0 | 0 | 0 | 110.3 | R163 L171 L226 S227 Q228 S233 S234 | R163-I230 HydrophobicContact CG-CG2 3.59Å; L171-I230 HydrophobicContact CB-CD1 4.43Å; L226-I230 HydrophobicContact CD1-CD1 4.2Å; L226-I230 HydrophobicContact CD1-CG1 4.28Å; L226-I230 HydrophobicContact CD2-CD1 4.4Å; L226-I230 HydrophobicContact CG-CD1 3.89Å; L226-I230 HydrophobicContact CG-CG1 4.36Å; L226-I230 WeakPolarHBondContact O-CB 3.03Å; L226-I230 VanDerWaalsContact O-CG1 3.29Å; L226-I230 WeakPolarHBondContact O-CG1 3.44Å; L226-I230 PolarHBondContact O-N 3.49Å; S227-I230 PolarHBondContact O-N 3.46Å; Q228-I230 VanDerWaalsContact C-N 3.34Å; Q228-I230 PolarHBondContact O-N 3.25Å; I230-S233 WeakPolarHBondContact CA-OG 3.32Å; I230-S233 PolarHBondContact O-OG 3.42Å; I230-S233 VanDerWaalsContact O-OG 3.13Å; I230-S234 WeakPolarHBondContact O-CB 3.3Å; I230-S234 PolarHBondContact O-N 2.94Å; I230-S234 PolarHBondContact O-OG 2.89Å |
| 231 | D | 94.8 | Very high | 95 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 9% | 0.086 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.1 | -54.1 | 179 | -88 | -26.4 | 0 | 0 | 0 | 112.2 | S227 Q228 S234 D235 T292 R297 | S227-D231 WeakPolarHBondContact O-CB 3.36Å; S227-D231 PolarHBondContact O-N 3.28Å; Q228-D231 WeakPolarHBondContact O-CB 3.36Å; Q228-D231 PolarHBondContact O-N 3.2Å; D231-S234 PolarHBondContact O-N 3.48Å; D231-D235 VanDerWaalsContact O-CG 3.29Å; D231-D235 PolarHBondContact O-N 3.15Å; D231-T292 WeakPolarHBondContact CB-OG1 3.48Å; D231-T292 WeakPolarHBondContact OD2-CB 3.19Å; D231-T292 PolarHBondContact OD2-N 2.97Å; D231-T292 PolarHBondContact OD2-OG1 3.04Å; D231-R297 VanDerWaalsContact CG-CZ 3.46Å; D231-R297 PolarHBondContact O-NH2 3.45Å; D231-R297 IonicContact OD1-CZ 2.66Å; D231-R297 VanDerWaalsContact OD1-CZ 3.31Å; D231-R297 IonicContact OD1-NH1 3.93Å; D231-R297 PolarHBondContact OD1-NH1 3.2Å; D231-R297 IonicContact OD1-NH2 2.89Å; D231-R297 PolarHBondContact OD1-NH2 2.89Å; D231-R297 IonicContact OD2-CZ 3.87Å; D231-R297 IonicContact OD2-NH1 2.82Å; D231-R297 PolarHBondContact OD2-NH1 3.49Å |
| 232 | Y | 96.1 | Very high | 95.2 | Very high | 83 Ų | 83 | 43.7 Ų | 43.7 | 33% | 0.325 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.3 | -42 | -179.3 | -72 | -60.3 | 0 | 0 | 0 | 112.4 | Q228 S234 D235 K236 T292 S296 R297 | Q228-Y232 HydrophobicContact CB-CD2 4.33Å; Q228-Y232 HydrophobicContact CB-CE2 4.22Å; Q228-Y232 WeakPolarHBondContact O-CD2 3.07Å; Q228-Y232 PolarHBondContact O-N 3.39Å; Y232-S234 VanDerWaalsContact C-N 3.35Å; Y232-D235 PolarHBondContact O-N 3.33Å; Y232-K236 WeakPolarHBondContact O-CB 3.48Å; Y232-K236 PolarHBondContact O-N 3.45Å; Y232-T292 HydrophobicContact CD1-CG2 4.48Å; Y232-T292 HydrophobicContact CD2-CG2 4.35Å; Y232-T292 HydrophobicContact CE1-CG2 3.74Å; Y232-T292 HydrophobicContact CE2-CG2 3.56Å; Y232-T292 WeakPolarHBondContact OH-CG2 3.39Å; Y232-S296 PolarHBondContact OH-OG 3.14Å; Y232-R297 HydrophobicContact CE1-CG 4.34Å |
| 233 | S | 96.9 | Very high | 95.3 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 18% | 0.175 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.5 | -38.6 | 179.4 | 62 | 0 | 0 | 0 | 0 | 111.7 | W229 I230 R237 | W229-S233 WeakPolarHBondContact O-CB 3.11Å; W229-S233 PolarHBondContact O-N 3.49Å; W229-S233 PolarHBondContact O-OG 3.14Å; I230-S233 WeakPolarHBondContact CA-OG 3.32Å; I230-S233 PolarHBondContact O-OG 3.42Å; I230-S233 VanDerWaalsContact O-OG 3.13Å; S233-R237 WeakPolarHBondContact O-CB 3.34Å; S233-R237 VanDerWaalsContact O-CG 3.23Å; S233-R237 WeakPolarHBondContact O-CG 3.43Å; S233-R237 PolarHBondContact O-N 3.42Å |
| 234 | S | 97.3 | Very high | 95.5 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -44 | 177 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | R163 I230 D231 Y232 R237 A238 | R163-S234 WeakPolarHBondContact CA-OG 3.23Å; R163-S234 WeakPolarHBondContact CB-OG 3.47Å; I230-S234 WeakPolarHBondContact O-CB 3.3Å; I230-S234 PolarHBondContact O-N 2.94Å; I230-S234 PolarHBondContact O-OG 2.89Å; D231-S234 PolarHBondContact O-N 3.48Å; Y232-S234 VanDerWaalsContact C-N 3.35Å; S234-R237 PolarHBondContact O-N 2.9Å; S234-A238 WeakPolarHBondContact O-CB 3.38Å; S234-A238 PolarHBondContact O-N 2.91Å |
| 235 | D | 97.9 | Very high | 95.8 | Very high | 4 Ų | 4 | 50.6 Ų | 50.6 | 2% | 0.021 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66.4 | -43.9 | 176.3 | -70.4 | -14.8 | 0 | 0 | 0 | 112.2 | F155 R159 D231 Y232 R237 A238 A239 Y253 R297 I301 | F155-D235 HydrophobicContact CZ-CB 4.23Å; R159-D235 IonicContact CZ-OD1 3.28Å; R159-D235 IonicContact NE-OD1 3.31Å; R159-D235 PolarHBondContact NE-OD1 3.28Å; D231-D235 VanDerWaalsContact O-CG 3.29Å; D231-D235 PolarHBondContact O-N 3.15Å; Y232-D235 PolarHBondContact O-N 3.33Å; D235-R237 VanDerWaalsContact C-N 3.32Å; D235-R237 PolarHBondContact O-N 3.36Å; D235-A238 PolarHBondContact O-N 3.41Å; D235-A239 VanDerWaalsContact O-CB 3.25Å; D235-A239 WeakPolarHBondContact O-CB 3.02Å; D235-A239 PolarHBondContact O-N 3.25Å; D235-Y253 PolarHBondContact OD1-OH 2.84Å; D235-Y253 PolarHBondContact OD2-OH 2.91Å; D235-R297 IonicContact OD1-CZ 3.95Å; D235-R297 IonicContact OD1-NE 3.24Å; D235-R297 IonicContact OD1-NH2 2.74Å; D235-R297 PolarHBondContact OD1-NH2 3Å; D235-R297 IonicContact OD2-CZ 2.91Å; D235-R297 IonicContact OD2-NE 2.91Å; D235-R297 PolarHBondContact OD2-NE 3.39Å; D235-R297 IonicContact OD2-NH2 2.92Å; D235-R297 PolarHBondContact OD2-NH2 3.17Å; D235-I301 HydrophobicContact CB-CD1 4.37Å |
| 236 | K | 97.3 | Very high | 96 | Very high | 125 Ų | 125 | 48 Ų | 48 | 54% | 0.543 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61 | -42.6 | 177.6 | 178.2 | 167.1 | -177.2 | 169.9 | 0 | 110.9 | Y232 G240 L304 | Y232-K236 WeakPolarHBondContact O-CB 3.48Å; Y232-K236 PolarHBondContact O-N 3.45Å; K236-G240 PolarHBondContact O-N 2.98Å; K236-L304 HydrophobicContact CB-CD1 4.07Å; K236-L304 HydrophobicContact CD-CD1 4.46Å; K236-L304 HydrophobicContact CD-CD2 4.16Å; K236-L304 HydrophobicContact CG-CD1 3.8Å; K236-L304 HydrophobicContact CG-CD2 4.21Å |
| 237 | R | 97.3 | Very high | 96.2 | Very high | 120 Ų | 120 | 52.1 Ų | 52.1 | 45% | 0.453 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.4 | -40.8 | 176.8 | -74.2 | -177.2 | 75.7 | 163.2 | 6 | 112.4 | F72 A162 S233 S234 D235 M241 | F72-R237 HydrophobicContact CE2-CB 4.49Å; F72-R237 HydrophobicContact CZ-CB 4.27Å; A162-R237 HydrophobicContact CB-CB 4.05Å; S233-R237 WeakPolarHBondContact O-CB 3.34Å; S233-R237 VanDerWaalsContact O-CG 3.23Å; S233-R237 WeakPolarHBondContact O-CG 3.43Å; S233-R237 PolarHBondContact O-N 3.42Å; S234-R237 PolarHBondContact O-N 2.9Å; D235-R237 VanDerWaalsContact C-N 3.32Å; D235-R237 PolarHBondContact O-N 3.36Å; R237-M241 WeakPolarHBondContact O-CG 3.23Å |
| 238 | A | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69 | -48.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | F155 A158 R159 S234 D235 G240 M241 Y245 | F155-A238 HydrophobicContact CD2-CB 3.89Å; F155-A238 HydrophobicContact CE2-CB 3.77Å; A158-A238 HydrophobicContact CB-CB 3.87Å; R159-A238 HydrophobicContact CB-CB 4.03Å; S234-A238 WeakPolarHBondContact O-CB 3.38Å; S234-A238 PolarHBondContact O-N 2.91Å; D235-A238 PolarHBondContact O-N 3.41Å; A238-G240 VanDerWaalsContact C-N 3.34Å; A238-G240 PolarHBondContact O-N 2.98Å; A238-M241 WeakPolarHBondContact O-CB 3.48Å; A238-M241 VanDerWaalsContact O-CG 3.31Å; A238-M241 WeakPolarHBondContact O-CG 3.37Å; A238-M241 PolarHBondContact O-N 3.33Å; A238-Y245 WeakPolarHBondContact O-CB 3.19Å |
| 239 | A | 97.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 2% | 0.017 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -37.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F155 D235 M241 S242 A246 I301 L304 | F155-A239 HydrophobicContact CE2-CB 4.04Å; D235-A239 VanDerWaalsContact O-CB 3.25Å; D235-A239 WeakPolarHBondContact O-CB 3.02Å; D235-A239 PolarHBondContact O-N 3.25Å; A239-M241 PolarHBondContact O-N 3.49Å; A239-S242 VanDerWaalsContact O-O 3.1Å; A239-A246 HydrophobicContact CB-CB 4.2Å; A239-I301 HydrophobicContact CB-CG1 4.19Å; A239-I301 HydrophobicContact CB-CG2 3.94Å; A239-L304 HydrophobicContact CB-CD1 4.48Å |
| 240 | G | 95.8 | Very high | 96.9 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 51% | 0.505 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 3.3 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | K236 A238 | K236-G240 PolarHBondContact O-N 2.98Å; A238-G240 VanDerWaalsContact C-N 3.34Å; A238-G240 PolarHBondContact O-N 2.98Å |
| 241 | M | 94.3 | Very high | 97 | Very high | 51 Ų | 51 | 44.6 Ų | 44.6 | 25% | 0.251 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -44.5 | 174.8 | -65.5 | 175.4 | 66 | 0 | 0 | 111.8 | D71 F72 A158 R237 A238 A239 Y245 | D71-M241 HydrophobicContact CB-CE 3.46Å; D71-M241 VanDerWaalsContact CB-CE 3.46Å; D71-M241 WeakPolarHBondContact O-CE 3.49Å; F72-M241 HydrophobicContact CB-CE 3.92Å; F72-M241 HydrophobicContact CD2-CE 3.95Å; F72-M241 HydrophobicContact CD2-CG 4.25Å; F72-M241 HydrophobicContact CD2-SD 3.41Å; F72-M241 WeakPolarHBondContact CD2-SD 3.18Å; F72-M241 HydrophobicContact CE2-SD 4.02Å; F72-M241 HydrophobicContact CG-CE 4.39Å; F72-M241 HydrophobicContact CG-SD 4.39Å; F72-M241 VanDerWaalsContact N-CE 3.27Å; A158-M241 HydrophobicContact CB-SD 3.87Å; R237-M241 WeakPolarHBondContact O-CG 3.23Å; A238-M241 WeakPolarHBondContact O-CB 3.48Å; A238-M241 VanDerWaalsContact O-CG 3.31Å; A238-M241 WeakPolarHBondContact O-CG 3.37Å; A238-M241 PolarHBondContact O-N 3.33Å; A239-M241 PolarHBondContact O-N 3.49Å; M241-Y245 HydrophobicContact CB-CD2 3.99Å; M241-Y245 HydrophobicContact CB-CE2 4.45Å; M241-Y245 HydrophobicContact CB-CG 4.03Å; M241-Y245 HydrophobicContact CE-CE1 4.06Å; M241-Y245 HydrophobicContact CE-CE2 4.03Å; M241-Y245 HydrophobicContact SD-CD1 3.82Å; M241-Y245 HydrophobicContact SD-CE1 3.69Å; M241-Y245 HydrophobicContact SD-CE2 4.41Å; M241-Y245 HydrophobicContact SD-CG 4.25Å |
| 242 | S | 95.2 | Very high | 97.1 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 25% | 0.245 | 21% | 0.207 | C | C | . | . | trans | -164.9 | 166.9 | 177 | 89.8 | 0 | 0 | 0 | 0 | 110.9 | A239 E244 Y245 A246 | A239-S242 VanDerWaalsContact O-O 3.1Å; S242-E244 VanDerWaalsContact CB-OE2 3.31Å; S242-E244 WeakPolarHBondContact CB-OE2 3.34Å; S242-E244 PolarHBondContact O-N 2.87Å; S242-E244 PolarHBondContact OG-N 3.29Å; S242-E244 PolarHBondContact OG-OE2 3.44Å; S242-Y245 PolarHBondContact O-N 3.24Å; S242-Y245 VanDerWaalsContact O-N 3.09Å; S242-Y245 WeakPolarHBondContact OG-CD2 3.25Å; S242-Y245 PolarHBondContact OG-N 2.75Å; S242-A246 PolarHBondContact O-N 3.41Å | ||
| 243 | R | 95.4 | Very high | 97.2 | Very high | 136 Ų | 136 | 40 Ų | 40 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.7 | -27.7 | 177.1 | -171.5 | 170.4 | 175.4 | -179.8 | -4.4 | 113.1 | R247 | R243-R247 WeakPolarHBondContact O-CB 3.39Å; R243-R247 WeakPolarHBondContact O-CG 3.34Å; R243-R247 PolarHBondContact O-N 2.81Å; R243-R247 VanDerWaalsContact O-N 3.08Å; R243-R247 PolarHBondContact O-NE 2.92Å |
| 244 | E | 96.6 | Very high | 97.3 | Very high | 82 Ų | 82 | 41.8 Ų | 41.8 | 38% | 0.383 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -65.5 | -47.6 | 172.9 | -64.4 | 61.9 | -128.8 | 0 | 0 | 110.2 | E151 S242 A246 R247 G248 | E151-E244 HydrophobicContact CG-CB 4.02Å; S242-E244 VanDerWaalsContact CB-OE2 3.31Å; S242-E244 WeakPolarHBondContact CB-OE2 3.34Å; S242-E244 PolarHBondContact O-N 2.87Å; S242-E244 PolarHBondContact OG-N 3.29Å; S242-E244 PolarHBondContact OG-OE2 3.44Å; E244-A246 PolarHBondContact O-N 3.49Å; E244-R247 PolarHBondContact O-N 3.21Å; E244-R247 IonicContact OE1-NH2 2.78Å; E244-R247 PolarHBondContact OE1-NH2 3.33Å; E244-G248 PolarHBondContact O-N 3.35Å |
| 245 | Y | 97.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 3% | 0.027 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.9 | -41.7 | 177.1 | -81.9 | -97.6 | 0 | 0 | 0 | 112.3 | V68 D71 K154 F155 A158 A238 M241 S242 G248 G249 | V68-Y245 HydrophobicContact CG2-CE1 4.45Å; V68-Y245 WeakPolarHBondContact CG2-OH 3.49Å; D71-Y245 HydrophobicContact CB-CE2 4.46Å; D71-Y245 PolarHBondContact OD2-OH 3.47Å; K154-Y245 HydrophobicContact CB-CD1 4.37Å; K154-Y245 HydrophobicContact CB-CE1 3.71Å; K154-Y245 HydrophobicContact CD-CE2 4.48Å; F155-Y245 HydrophobicContact CB-CD1 4.43Å; F155-Y245 WeakPolarHBondContact CD2-O 3.32Å; A158-Y245 HydrophobicContact CB-CD1 3.98Å; A158-Y245 HydrophobicContact CB-CE1 3.57Å; A238-Y245 WeakPolarHBondContact O-CB 3.19Å; M241-Y245 HydrophobicContact CB-CD2 3.99Å; M241-Y245 HydrophobicContact CB-CE2 4.45Å; M241-Y245 HydrophobicContact CB-CG 4.03Å; M241-Y245 HydrophobicContact CE-CE1 4.06Å; M241-Y245 HydrophobicContact CE-CE2 4.03Å; M241-Y245 HydrophobicContact SD-CD1 3.82Å; M241-Y245 HydrophobicContact SD-CE1 3.69Å; M241-Y245 HydrophobicContact SD-CE2 4.41Å; M241-Y245 HydrophobicContact SD-CG 4.25Å; S242-Y245 PolarHBondContact O-N 3.24Å; S242-Y245 VanDerWaalsContact O-N 3.09Å; S242-Y245 WeakPolarHBondContact OG-CD2 3.25Å; S242-Y245 PolarHBondContact OG-N 2.75Å; Y245-G248 PolarHBondContact O-N 2.93Å; Y245-G249 PolarHBondContact O-N 2.84Å |
| 246 | A | 97.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.025 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -45.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A239 S242 E244 G248 G249 V250 I301 M305 | A239-A246 HydrophobicContact CB-CB 4.2Å; S242-A246 PolarHBondContact O-N 3.41Å; E244-A246 PolarHBondContact O-N 3.49Å; A246-G248 PolarHBondContact O-N 2.72Å; A246-G249 PolarHBondContact O-N 2.91Å; A246-V250 PolarHBondContact O-N 3.04Å; A246-V250 VanDerWaalsContact O-N 3.17Å; A246-I301 HydrophobicContact CB-CG2 4.35Å; A246-I301 WeakPolarHBondContact O-CG2 3.31Å; A246-M305 HydrophobicContact CB-CG 3.55Å; A246-M305 HydrophobicContact CB-SD 3.94Å |
| 247 | R | 97.8 | Very high | 97.1 | Very high | 119 Ų | 119 | 38.2 Ų | 38.2 | 45% | 0.449 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.2 | -46.7 | 173.6 | -77.9 | -176.2 | -72.3 | 175.8 | -1.5 | 111.7 | R243 E244 G249 V250 E251 M305 | R243-R247 WeakPolarHBondContact O-CB 3.39Å; R243-R247 WeakPolarHBondContact O-CG 3.34Å; R243-R247 PolarHBondContact O-N 2.81Å; R243-R247 VanDerWaalsContact O-N 3.08Å; R243-R247 PolarHBondContact O-NE 2.92Å; E244-R247 PolarHBondContact O-N 3.21Å; E244-R247 IonicContact OE1-NH2 2.78Å; E244-R247 PolarHBondContact OE1-NH2 3.33Å; R247-G249 VanDerWaalsContact C-N 3.25Å; R247-G249 PolarHBondContact O-N 3.25Å; R247-V250 PolarHBondContact O-N 3.47Å; R247-E251 PolarHBondContact O-N 2.89Å; R247-E251 VanDerWaalsContact O-N 3.14Å; R247-M305 HydrophobicContact CG-CE 3.66Å |
| 248 | G | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.3 | -37.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E151 A152 E244 Y245 A246 E251 F252 | E151-G248 VanDerWaalsContact C-CA 3.5Å; A152-G248 WeakPolarHBondContact CA-O 3.43Å; A152-G248 WeakPolarHBondContact CB-O 3.39Å; E244-G248 PolarHBondContact O-N 3.35Å; Y245-G248 PolarHBondContact O-N 2.93Å; A246-G248 PolarHBondContact O-N 2.72Å; G248-E251 PolarHBondContact O-N 3.41Å; G248-F252 VanDerWaalsContact O-CB 3.23Å; G248-F252 WeakPolarHBondContact O-CB 3.4Å; G248-F252 PolarHBondContact O-N 3.43Å |
| 249 | G | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.6 | -37.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y245 A246 R247 Y253 | Y245-G249 PolarHBondContact O-N 2.84Å; A246-G249 PolarHBondContact O-N 2.91Å; R247-G249 VanDerWaalsContact C-N 3.25Å; R247-G249 PolarHBondContact O-N 3.25Å; G249-Y253 VanDerWaalsContact O-CD2 3.28Å; G249-Y253 WeakPolarHBondContact O-CD2 3.46Å; G249-Y253 PolarHBondContact O-N 3.46Å |
| 250 | V | 98.3 | Very high | 96.9 | Very high | 18 Ų | 18 | 35.7 Ų | 35.7 | 11% | 0.109 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.7 | -49.6 | 173.2 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | A246 R247 F252 Y253 D254 R298 I301 L302 M305 | A246-V250 PolarHBondContact O-N 3.04Å; A246-V250 VanDerWaalsContact O-N 3.17Å; R247-V250 PolarHBondContact O-N 3.47Å; V250-F252 VanDerWaalsContact C-N 3.34Å; V250-F252 PolarHBondContact O-N 2.81Å; V250-Y253 PolarHBondContact O-N 2.97Å; V250-D254 PolarHBondContact O-N 3.5Å; V250-R298 HydrophobicContact CG1-CG 4.33Å; V250-I301 HydrophobicContact CG2-CB 4.4Å; V250-I301 HydrophobicContact CG2-CG2 3.83Å; V250-L302 HydrophobicContact CG1-CD2 4Å; V250-L302 HydrophobicContact CG1-CG 4.35Å; V250-L302 HydrophobicContact CG2-CD2 3.66Å; V250-L302 HydrophobicContact CG2-CG 3.88Å; V250-M305 HydrophobicContact CG2-SD 3.82Å |
| 251 | E | 98.2 | Very high | 96.8 | Very high | 58 Ų | 58 | 37.9 Ų | 37.9 | 27% | 0.271 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -60.1 | -44.4 | 177.7 | -177 | -167.9 | 147 | 0 | 0 | 111.5 | S149 A152 R247 G248 Y253 D254 K255 | S149-E251 WeakPolarHBondContact CB-OE1 3.47Å; S149-E251 WeakPolarHBondContact CB-OE2 3.05Å; S149-E251 PolarHBondContact N-OE1 2.9Å; S149-E251 PolarHBondContact OG-OE1 2.95Å; S149-E251 PolarHBondContact OG-OE2 3.5Å; A152-E251 HydrophobicContact CB-CB 4.2Å; A152-E251 HydrophobicContact CB-CG 4.22Å; R247-E251 PolarHBondContact O-N 2.89Å; R247-E251 VanDerWaalsContact O-N 3.14Å; G248-E251 PolarHBondContact O-N 3.41Å; E251-Y253 VanDerWaalsContact C-N 3.32Å; E251-Y253 PolarHBondContact O-N 2.92Å; E251-D254 PolarHBondContact O-N 2.85Å; E251-D254 VanDerWaalsContact O-N 3.17Å; E251-K255 HydrophobicContact CG-CG 4.13Å; E251-K255 WeakPolarHBondContact O-CB 3.3Å; E251-K255 WeakPolarHBondContact O-CG 3.4Å; E251-K255 PolarHBondContact O-N 3.35Å |
| 252 | F | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.1 | -47.8 | 179.8 | 172.9 | -103.7 | 0 | 0 | 0 | 111.8 | F148 A152 F155 A156 G248 V250 K255 I256 | F148-F252 HydrophobicContact CD1-CD2 4.08Å; F148-F252 AromaticContact CE1-CD2 3.59Å; F148-F252 HydrophobicContact CE1-CD2 3.59Å; F148-F252 HydrophobicContact CE1-CE2 4.24Å; F148-F252 HydrophobicContact CE1-CG 4.41Å; F148-F252 HydrophobicContact CZ-CD2 4.36Å; A152-F252 HydrophobicContact CB-CB 4.29Å; F155-F252 HydrophobicContact CD1-CB 3.92Å; F155-F252 AromaticContact CD1-CD1 3.93Å; F155-F252 HydrophobicContact CD1-CD1 3.93Å; F155-F252 HydrophobicContact CD1-CG 4.03Å; F155-F252 HydrophobicContact CE1-CB 4.36Å; F155-F252 AromaticContact CE1-CD1 3.72Å; F155-F252 HydrophobicContact CE1-CD1 3.72Å; F155-F252 HydrophobicContact CE1-CE1 4.34Å; F155-F252 HydrophobicContact CE1-CG 4.28Å; A156-F252 HydrophobicContact CB-CD2 3.57Å; A156-F252 HydrophobicContact CB-CE2 3.37Å; A156-F252 HydrophobicContact CB-CG 4.31Å; A156-F252 HydrophobicContact CB-CZ 3.96Å; G248-F252 VanDerWaalsContact O-CB 3.23Å; G248-F252 WeakPolarHBondContact O-CB 3.4Å; G248-F252 PolarHBondContact O-N 3.43Å; V250-F252 VanDerWaalsContact C-N 3.34Å; V250-F252 PolarHBondContact O-N 2.81Å; F252-K255 PolarHBondContact O-N 3.13Å; F252-I256 HydrophobicContact CD1-CD1 4.05Å; F252-I256 HydrophobicContact CD2-CD1 4.43Å; F252-I256 HydrophobicContact CE1-CD1 3.4Å; F252-I256 HydrophobicContact CE1-CG1 4.5Å; F252-I256 HydrophobicContact CE2-CD1 3.83Å; F252-I256 HydrophobicContact CE2-CG1 4.41Å; F252-I256 HydrophobicContact CZ-CD1 3.29Å; F252-I256 HydrophobicContact CZ-CG1 4.32Å; F252-I256 WeakPolarHBondContact O-CG1 3.43Å; F252-I256 PolarHBondContact O-N 3.19Å |
| 253 | Y | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.8 | -35.8 | 177.8 | -74.7 | -59.1 | 0 | 0 | 0 | 113 | F155 R159 D235 G249 V250 E251 K255 I256 L257 Y294 R297 R298 I301 | F155-Y253 AromaticContact CE1-CE2 3.94Å; F155-Y253 HydrophobicContact CE1-CE2 3.94Å; F155-Y253 HydrophobicContact CZ-CE2 4.03Å; R159-Y253 PolarHBondContact NE-OH 3.35Å; R159-Y253 VanDerWaalsContact NE-OH 3.15Å; D235-Y253 PolarHBondContact OD1-OH 2.84Å; D235-Y253 PolarHBondContact OD2-OH 2.91Å; G249-Y253 VanDerWaalsContact O-CD2 3.28Å; G249-Y253 WeakPolarHBondContact O-CD2 3.46Å; G249-Y253 PolarHBondContact O-N 3.46Å; V250-Y253 PolarHBondContact O-N 2.97Å; E251-Y253 VanDerWaalsContact C-N 3.32Å; E251-Y253 PolarHBondContact O-N 2.92Å; Y253-K255 VanDerWaalsContact C-N 3.33Å; Y253-K255 PolarHBondContact O-N 3.3Å; Y253-I256 PolarHBondContact O-N 3.05Å; Y253-L257 WeakPolarHBondContact O-CB 3.42Å; Y253-L257 WeakPolarHBondContact O-CG 3.47Å; Y253-L257 PolarHBondContact O-N 3.45Å; Y253-Y294 AromaticContact CD1-CD1 3.89Å; Y253-Y294 HydrophobicContact CD1-CD1 3.89Å; Y253-Y294 HydrophobicContact CD1-CG 4.33Å; Y253-Y294 AromaticContact CE1-CD1 3.73Å; Y253-Y294 HydrophobicContact CE1-CD1 3.73Å; Y253-Y294 HydrophobicContact CE1-CE1 4.43Å; Y253-R297 HydrophobicContact CD2-CB 4.28Å; Y253-R297 HydrophobicContact CE1-CB 4.17Å; Y253-R297 HydrophobicContact CE2-CB 3.85Å; Y253-R297 PolarHBondContact OH-NE 3.41Å; Y253-R297 PolarHBondContact OH-NH2 3.41Å; Y253-R298 HydrophobicContact CD2-CB 4.36Å; Y253-R298 HydrophobicContact CG-CB 4.29Å; Y253-I301 HydrophobicContact CD2-CD1 3.9Å; Y253-I301 HydrophobicContact CE2-CD1 3.71Å |
| 254 | D | 98 | Very high | 96.5 | Very high | 63 Ų | 63 | 32.3 Ų | 32.3 | 34% | 0.337 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -59.9 | -43.6 | 173.2 | -83.2 | -33.4 | 0 | 0 | 0 | 111.8 | V250 E251 L257 S258 R298 | V250-D254 PolarHBondContact O-N 3.5Å; E251-D254 PolarHBondContact O-N 2.85Å; E251-D254 VanDerWaalsContact O-N 3.17Å; D254-L257 PolarHBondContact O-N 2.91Å; D254-S258 WeakPolarHBondContact O-CB 3.31Å; D254-S258 PolarHBondContact O-N 3.41Å; D254-R298 VanDerWaalsContact OD1-CD 3.29Å; D254-R298 WeakPolarHBondContact OD1-CD 3.5Å; D254-R298 IonicContact OD1-CZ 3.36Å; D254-R298 VanDerWaalsContact OD1-CZ 3.26Å; D254-R298 IonicContact OD1-NE 3.33Å; D254-R298 PolarHBondContact OD1-NE 3.41Å; D254-R298 IonicContact OD1-NH2 2.89Å; D254-R298 PolarHBondContact OD1-NH2 3.24Å; D254-R298 IonicContact OD2-CZ 2.98Å; D254-R298 IonicContact OD2-NE 3.31Å; D254-R298 PolarHBondContact OD2-NE 3.47Å; D254-R298 IonicContact OD2-NH2 3.26Å; D254-R298 PolarHBondContact OD2-NH2 3.47Å |
| 255 | K | 97.4 | Very high | 96.2 | Very high | 41 Ų | 41 | 32 Ų | 32 | 18% | 0.178 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.5 | -70.8 | -72.4 | -175.1 | 178.2 | 0 | 112.1 | E144 V147 F148 E251 F252 Y253 S258 R259 | E144-K255 PolarHBondContact O-NZ 2.88Å; V147-K255 VanDerWaalsContact O-CE 3.22Å; V147-K255 WeakPolarHBondContact O-CE 3.49Å; V147-K255 PolarHBondContact O-NZ 3.08Å; F148-K255 HydrophobicContact CD1-CB 4.03Å; F148-K255 HydrophobicContact CD1-CG 4.15Å; F148-K255 HydrophobicContact CE1-CB 3.41Å; F148-K255 VanDerWaalsContact CE1-CB 3.41Å; F148-K255 HydrophobicContact CE1-CG 4.05Å; F148-K255 HydrophobicContact CZ-CB 3.81Å; E251-K255 HydrophobicContact CG-CG 4.13Å; E251-K255 WeakPolarHBondContact O-CB 3.3Å; E251-K255 WeakPolarHBondContact O-CG 3.4Å; E251-K255 PolarHBondContact O-N 3.35Å; F252-K255 PolarHBondContact O-N 3.13Å; Y253-K255 VanDerWaalsContact C-N 3.33Å; Y253-K255 PolarHBondContact O-N 3.3Å; K255-S258 PolarHBondContact O-N 3.44Å; K255-R259 VanDerWaalsContact O-CB 3.27Å; K255-R259 WeakPolarHBondContact O-CB 3.5Å; K255-R259 PolarHBondContact O-N 3.42Å |
| 256 | I | 95.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 173.5 | -77.2 | -177.5 | 0 | 0 | 0 | 111.6 | F252 Y253 R259 N260 Y294 | F252-I256 HydrophobicContact CD1-CD1 4.05Å; F252-I256 HydrophobicContact CD2-CD1 4.43Å; F252-I256 HydrophobicContact CE1-CD1 3.4Å; F252-I256 HydrophobicContact CE1-CG1 4.5Å; F252-I256 HydrophobicContact CE2-CD1 3.83Å; F252-I256 HydrophobicContact CE2-CG1 4.41Å; F252-I256 HydrophobicContact CZ-CD1 3.29Å; F252-I256 HydrophobicContact CZ-CG1 4.32Å; F252-I256 WeakPolarHBondContact O-CG1 3.43Å; F252-I256 PolarHBondContact O-N 3.19Å; Y253-I256 PolarHBondContact O-N 3.05Å; I256-R259 PolarHBondContact O-N 2.86Å; I256-N260 WeakPolarHBondContact O-CB 3.44Å; I256-N260 PolarHBondContact O-N 3.37Å; I256-N260 PolarHBondContact O-OD1 3.16Å; I256-Y294 HydrophobicContact CG2-CD1 4.27Å; I256-Y294 HydrophobicContact CG2-CD2 3.62Å; I256-Y294 HydrophobicContact CG2-CE1 4.36Å; I256-Y294 HydrophobicContact CG2-CE2 3.73Å; I256-Y294 HydrophobicContact CG2-CG 3.91Å |
| 257 | L | 96.7 | Very high | 95.5 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 180 | -71.4 | 168.3 | 0 | 0 | 0 | 110.6 | Y253 D254 N260 K261 T295 | Y253-L257 WeakPolarHBondContact O-CB 3.42Å; Y253-L257 WeakPolarHBondContact O-CG 3.47Å; Y253-L257 PolarHBondContact O-N 3.45Å; D254-L257 PolarHBondContact O-N 2.91Å; L257-N260 PolarHBondContact O-N 3.12Å; L257-K261 WeakPolarHBondContact O-CG 3.19Å; L257-K261 PolarHBondContact O-N 3.29Å; L257-T295 HydrophobicContact CD1-CG2 3.94Å; L257-T295 HydrophobicContact CD2-CG2 3.91Å |
| 258 | S | 96.8 | Very high | 95.1 | Very high | 52 Ų | 52 | 32.3 Ų | 32.3 | 36% | 0.364 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -60.6 | -49.6 | 175.6 | -173.8 | 0 | 0 | 0 | 0 | 111.8 | D254 K255 N260 K261 M262 | D254-S258 WeakPolarHBondContact O-CB 3.31Å; D254-S258 PolarHBondContact O-N 3.41Å; K255-S258 PolarHBondContact O-N 3.44Å; S258-N260 VanDerWaalsContact C-N 3.3Å; S258-N260 PolarHBondContact O-N 2.95Å; S258-K261 WeakPolarHBondContact O-CB 3.39Å; S258-K261 PolarHBondContact O-N 3.28Å; S258-K261 VanDerWaalsContact O-N 3.16Å; S258-M262 WeakPolarHBondContact O-CG 3.49Å; S258-M262 PolarHBondContact O-N 3.03Å |
| 259 | R | 95.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 39.2 Ų | 39.2 | 6% | 0.057 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.2 | -48.1 | 175.6 | -178.9 | -162 | 68.4 | -154.8 | -1.7 | 111 | L142 A145 L146 K255 I256 K261 M262 L263 | L142-R259 HydrophobicContact CD1-CG 3.77Å; A145-R259 HydrophobicContact CB-CB 3.96Å; L146-R259 HydrophobicContact CD2-CG 4.04Å; K255-R259 VanDerWaalsContact O-CB 3.27Å; K255-R259 WeakPolarHBondContact O-CB 3.5Å; K255-R259 PolarHBondContact O-N 3.42Å; I256-R259 PolarHBondContact O-N 2.86Å; R259-K261 PolarHBondContact O-N 3.07Å; R259-M262 PolarHBondContact O-N 3.38Å; R259-M262 VanDerWaalsContact O-N 3.14Å; R259-L263 HydrophobicContact CG-CD1 4.1Å; R259-L263 HydrophobicContact CG-CG 4.39Å; R259-L263 WeakPolarHBondContact O-CG 2.93Å; R259-L263 PolarHBondContact O-N 3.38Å |
| 260 | N | 94.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -36.6 | -178.1 | -71.6 | 1 | 0 | 0 | 0 | 112.4 | I256 L257 S258 M262 L263 R264 Y275 G279 | I256-N260 WeakPolarHBondContact O-CB 3.44Å; I256-N260 PolarHBondContact O-N 3.37Å; I256-N260 PolarHBondContact O-OD1 3.16Å; L257-N260 PolarHBondContact O-N 3.12Å; S258-N260 VanDerWaalsContact C-N 3.3Å; S258-N260 PolarHBondContact O-N 2.95Å; N260-M262 VanDerWaalsContact C-N 3.32Å; N260-M262 PolarHBondContact O-N 3.19Å; N260-L263 PolarHBondContact O-N 3.42Å; N260-R264 WeakPolarHBondContact O-CB 3.49Å; N260-R264 PolarHBondContact O-N 3.03Å; N260-Y275 HydrophobicContact CB-CD1 3.5Å; N260-Y275 HydrophobicContact CB-CE1 3.8Å; N260-Y275 HydrophobicContact CB-CG 4.22Å; N260-Y275 VanDerWaalsContact CG-CE1 3.47Å; N260-G279 WeakPolarHBondContact CB-O 3.43Å; N260-G279 PolarHBondContact ND2-O 3.35Å |
| 261 | K | 94.6 | Very high | 94 | Very high | 96 Ų | 96 | 45.2 Ų | 45.2 | 42% | 0.417 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 171.4 | -70.4 | 172.1 | -174.4 | 177.7 | 0 | 111.9 | L257 S258 R259 R264 S265 P277 S278 | L257-K261 WeakPolarHBondContact O-CG 3.19Å; L257-K261 PolarHBondContact O-N 3.29Å; S258-K261 WeakPolarHBondContact O-CB 3.39Å; S258-K261 PolarHBondContact O-N 3.28Å; S258-K261 VanDerWaalsContact O-N 3.16Å; R259-K261 PolarHBondContact O-N 3.07Å; K261-R264 VanDerWaalsContact O-CB 3.32Å; K261-R264 WeakPolarHBondContact O-CB 3.47Å; K261-R264 PolarHBondContact O-N 3.5Å; K261-S265 PolarHBondContact O-N 3.28Å; K261-P277 WeakPolarHBondContact CE-O 3.26Å; K261-S278 WeakPolarHBondContact CE-O 3.47Å |
| 262 | M | 93.5 | Very high | 93.7 | Very high | 46 Ų | 46 | 47.4 Ų | 47.4 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.8 | -43.5 | 175.8 | -62.8 | -65.8 | 74.1 | 0 | 0 | 112.3 | A141 L142 S258 R259 N260 R264 S265 L266 | A141-M262 HydrophobicContact CB-CG 4.27Å; A141-M262 HydrophobicContact CB-SD 3.57Å; A141-M262 VanDerWaalsContact CB-SD 3.57Å; L142-M262 HydrophobicContact CB-CB 4.32Å; L142-M262 HydrophobicContact CD1-CB 4.2Å; S258-M262 WeakPolarHBondContact O-CG 3.49Å; S258-M262 PolarHBondContact O-N 3.03Å; R259-M262 PolarHBondContact O-N 3.38Å; R259-M262 VanDerWaalsContact O-N 3.14Å; N260-M262 VanDerWaalsContact C-N 3.32Å; N260-M262 PolarHBondContact O-N 3.19Å; M262-R264 VanDerWaalsContact C-N 3.27Å; M262-R264 PolarHBondContact O-N 2.85Å; M262-S265 PolarHBondContact O-N 3.47Å; M262-L266 WeakPolarHBondContact O-CB 3.23Å; M262-L266 VanDerWaalsContact O-CG 3.26Å; M262-L266 WeakPolarHBondContact O-CG 3.47Å; M262-L266 PolarHBondContact O-N 2.91Å |
| 263 | L | 91.9 | Very high | 93.3 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 173.3 | -67 | 177.6 | 0 | 0 | 0 | 111.8 | I127 L142 R259 N260 S265 L266 M267 Y275 | I127-L263 HydrophobicContact CD1-CD2 3.54Å; I127-L263 HydrophobicContact CG1-CD2 4.35Å; L142-L263 HydrophobicContact CD1-CD2 4.32Å; L142-L263 HydrophobicContact CD1-CG 4.46Å; L142-L263 HydrophobicContact CD2-CD2 4.39Å; R259-L263 HydrophobicContact CG-CD1 4.1Å; R259-L263 HydrophobicContact CG-CG 4.39Å; R259-L263 WeakPolarHBondContact O-CG 2.93Å; R259-L263 PolarHBondContact O-N 3.38Å; N260-L263 PolarHBondContact O-N 3.42Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-S265 PolarHBondContact O-N 3.5Å; L263-L266 PolarHBondContact O-N 3.48Å; L263-M267 HydrophobicContact CB-SD 4.26Å; L263-M267 WeakPolarHBondContact O-CB 3.41Å; L263-M267 WeakPolarHBondContact O-CG 3.1Å; L263-M267 PolarHBondContact O-N 2.91Å; L263-Y275 HydrophobicContact CB-CD2 4.18Å; L263-Y275 HydrophobicContact CB-CE2 3.63Å; L263-Y275 HydrophobicContact CD1-CE2 4.38Å; L263-Y275 WeakPolarHBondContact CD1-OH 3.48Å |
| 264 | R | 92.3 | Very high | 92.8 | Very high | 43 Ų | 43 | 57.7 Ų | 57.7 | 16% | 0.162 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.4 | -49.4 | 173.9 | -170.1 | -171.4 | 161.9 | 64.8 | 8 | 111.5 | N260 K261 M262 E272 Y275 | N260-R264 WeakPolarHBondContact O-CB 3.49Å; N260-R264 PolarHBondContact O-N 3.03Å; K261-R264 VanDerWaalsContact O-CB 3.32Å; K261-R264 WeakPolarHBondContact O-CB 3.47Å; K261-R264 PolarHBondContact O-N 3.5Å; M262-R264 VanDerWaalsContact C-N 3.27Å; M262-R264 PolarHBondContact O-N 2.85Å; R264-E272 VanDerWaalsContact CZ-CB 3.47Å; R264-E272 IonicContact CZ-OE1 3.17Å; R264-E272 IonicContact NE-OE1 3.76Å; R264-E272 VanDerWaalsContact NH1-C 3.32Å; R264-E272 VanDerWaalsContact NH1-CA 3.3Å; R264-E272 VanDerWaalsContact NH1-CB 3.27Å; R264-E272 PolarHBondContact NH1-O 2.93Å; R264-E272 VanDerWaalsContact NH2-CB 3.25Å; R264-E272 VanDerWaalsContact NH2-CG 3.26Å; R264-E272 IonicContact NH2-OE1 3.01Å; R264-E272 PolarHBondContact NH2-OE1 3.45Å; R264-E272 IonicContact NH2-OE2 3.98Å; R264-Y275 HydrophobicContact CB-CD2 4.38Å; R264-Y275 WeakPolarHBondContact CD-O 3.32Å; R264-Y275 PolarHBondContact NH1-O 3.47Å |
| 265 | S | 90.9 | Very high | 92.5 | Very high | 76 Ų | 76 | 55.9 Ų | 55.9 | 53% | 0.531 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.7 | -45.8 | -178.9 | 114.2 | 0 | 0 | 0 | 0 | 111.7 | K261 M262 L263 M267 G268 | K261-S265 PolarHBondContact O-N 3.28Å; M262-S265 PolarHBondContact O-N 3.47Å; L263-S265 VanDerWaalsContact C-N 3.33Å; L263-S265 PolarHBondContact O-N 3.5Å; S265-M267 VanDerWaalsContact C-N 3.26Å; S265-M267 PolarHBondContact O-N 3.11Å; S265-G268 PolarHBondContact O-N 2.93Å; S265-G268 VanDerWaalsContact O-N 3.14Å |
| 266 | L | 89.9 | Confident | 92.2 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 29% | 0.293 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.1 | -28.8 | -176.6 | -72.1 | 169.9 | 0 | 0 | 0 | 113 | I127 A138 L142 M262 L263 | I127-L266 HydrophobicContact CD1-CB 4.35Å; I127-L266 HydrophobicContact CD1-CD1 3.85Å; I127-L266 HydrophobicContact CG2-CB 4.06Å; A138-L266 HydrophobicContact CB-CD2 3.66Å; A138-L266 HydrophobicContact CB-CG 4.3Å; L142-L266 HydrophobicContact CB-CD1 4.38Å; L142-L266 HydrophobicContact CD2-CD1 3.81Å; M262-L266 WeakPolarHBondContact O-CB 3.23Å; M262-L266 VanDerWaalsContact O-CG 3.26Å; M262-L266 WeakPolarHBondContact O-CG 3.47Å; M262-L266 PolarHBondContact O-N 2.91Å; L263-L266 PolarHBondContact O-N 3.48Å |
| 267 | M | 91 | Very high | 92 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 21% | 0.212 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -5.7 | 179 | -65.6 | 173.2 | 65.5 | 0 | 0 | 113.7 | I127 L263 S265 K270 Y275 | I127-M267 HydrophobicContact CG2-CG 3.42Å; I127-M267 VanDerWaalsContact CG2-CG 3.42Å; L263-M267 HydrophobicContact CB-SD 4.26Å; L263-M267 WeakPolarHBondContact O-CB 3.41Å; L263-M267 WeakPolarHBondContact O-CG 3.1Å; L263-M267 PolarHBondContact O-N 2.91Å; S265-M267 VanDerWaalsContact C-N 3.26Å; S265-M267 PolarHBondContact O-N 3.11Å; M267-K270 HydrophobicContact CB-CB 4.43Å; M267-K270 HydrophobicContact CE-CB 4.22Å; M267-K270 PolarHBondContact O-N 3.27Å; M267-Y275 HydrophobicContact SD-CE2 4.03Å |
| 268 | G | 90.3 | Very high | 91.8 | Very high | 36 Ų | 36 | 60.6 Ų | 60.6 | 37% | 0.371 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | -134.6 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S265 K270 G271 E272 | S265-G268 PolarHBondContact O-N 2.93Å; S265-G268 VanDerWaalsContact O-N 3.14Å; G268-K270 PolarHBondContact O-N 3.35Å; G268-K270 VanDerWaalsContact O-N 3.11Å; G268-G271 WeakPolarHBondContact O-CA 3.46Å; G268-G271 PolarHBondContact O-N 2.89Å; G268-E272 WeakPolarHBondContact O-CG 3.28Å; G268-E272 PolarHBondContact O-N 3.34Å; G268-E272 VanDerWaalsContact O-N 3.09Å |
| 269 | Q | 90.6 | Very high | 91.6 | Very high | 146 Ų | 146 | 58.1 Ų | 58.1 | 68% | 0.682 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -56.3 | -28.9 | -177.8 | -173.3 | 179.6 | 0.4 | 0 | 0 | 114.4 | G271 E272 E273 | Q269-G271 VanDerWaalsContact C-N 3.34Å; Q269-E272 VanDerWaalsContact O-CA 3.25Å; Q269-E272 WeakPolarHBondContact O-CA 3.31Å; Q269-E273 WeakPolarHBondContact O-CG 3.49Å; Q269-E273 PolarHBondContact O-N 3.22Å |
| 270 | K | 89.4 | Confident | 91.5 | Very high | 143 Ų | 143 | 58.3 Ų | 58.3 | 62% | 0.622 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -72.5 | -31.4 | 174.3 | -70.6 | -176.4 | 177.4 | -179.9 | 0 | 112.2 | M267 G268 E273 M274 | M267-K270 HydrophobicContact CB-CB 4.43Å; M267-K270 HydrophobicContact CE-CB 4.22Å; M267-K270 PolarHBondContact O-N 3.27Å; G268-K270 PolarHBondContact O-N 3.35Å; G268-K270 VanDerWaalsContact O-N 3.11Å; K270-E273 PolarHBondContact O-N 2.93Å; K270-M274 WeakPolarHBondContact O-CB 3.41Å; K270-M274 PolarHBondContact O-N 3.42Å |
| 271 | G | 90.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -72.6 | -56.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G268 Q269 E273 M274 Y275 | G268-G271 WeakPolarHBondContact O-CA 3.46Å; G268-G271 PolarHBondContact O-N 2.89Å; Q269-G271 VanDerWaalsContact C-N 3.34Å; G271-E273 PolarHBondContact O-N 3.45Å; G271-M274 PolarHBondContact O-N 3.46Å; G271-Y275 PolarHBondContact O-N 2.98Å |
| 272 | E | 91.5 | Very high | 90.5 | Very high | 105 Ų | 105 | 60.9 Ų | 60.9 | 49% | 0.491 | 32% | 0.319 | S | S | . | . | H | α-helix | 27.4 | -93.3 | 122.3 | 19.2 | -177.5 | 122.4 | 0 | 0 | 119.1 | R264 G268 Q269 F282 | R264-E272 VanDerWaalsContact CZ-CB 3.47Å; R264-E272 IonicContact CZ-OE1 3.17Å; R264-E272 IonicContact NE-OE1 3.76Å; R264-E272 VanDerWaalsContact NH1-C 3.32Å; R264-E272 VanDerWaalsContact NH1-CA 3.3Å; R264-E272 VanDerWaalsContact NH1-CB 3.27Å; R264-E272 PolarHBondContact NH1-O 2.93Å; R264-E272 VanDerWaalsContact NH2-CB 3.25Å; R264-E272 VanDerWaalsContact NH2-CG 3.26Å; R264-E272 IonicContact NH2-OE1 3.01Å; R264-E272 PolarHBondContact NH2-OE1 3.45Å; R264-E272 IonicContact NH2-OE2 3.98Å; G268-E272 WeakPolarHBondContact O-CG 3.28Å; G268-E272 PolarHBondContact O-N 3.34Å; G268-E272 VanDerWaalsContact O-N 3.09Å; Q269-E272 VanDerWaalsContact O-CA 3.25Å; Q269-E272 WeakPolarHBondContact O-CA 3.31Å; E272-F282 VanDerWaalsContact O-CE2 3.31Å; E272-F282 WeakPolarHBondContact O-CE2 3.22Å | |
| 273 | E | 89.6 | Confident | 89 | Confident | 130 Ų | 130 | 61.9 Ų | 61.9 | 61% | 0.607 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -79.8 | -20.2 | -173.6 | -66 | 162.6 | -177.1 | 0 | 0 | 112.5 | Q269 K270 G271 F282 | Q269-E273 WeakPolarHBondContact O-CG 3.49Å; Q269-E273 PolarHBondContact O-N 3.22Å; K270-E273 PolarHBondContact O-N 2.93Å; G271-E273 PolarHBondContact O-N 3.45Å; E273-F282 WeakPolarHBondContact O-CB 3.2Å |
| 274 | M | 88.4 | Confident | 87.3 | Confident | 88 Ų | 88 | 64.3 Ų | 64.3 | 43% | 0.433 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -94.8 | -37.4 | -173.6 | -174.3 | 171.7 | -66.5 | 0 | 0 | 113.7 | K270 G271 F282 | K270-M274 WeakPolarHBondContact O-CB 3.41Å; K270-M274 PolarHBondContact O-N 3.42Å; G271-M274 PolarHBondContact O-N 3.46Å; M274-F282 PolarHBondContact O-N 3.4Å |
| 275 | Y | 91.4 | Very high | 85.4 | Confident | 25 Ų | 25 | 68.3 Ų | 68.3 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -123.8 | 125 | -170.5 | -58.5 | -72.5 | 0 | 0 | 0 | 111.3 | N260 L263 R264 M267 G271 N280 L281 F282 | N260-Y275 HydrophobicContact CB-CD1 3.5Å; N260-Y275 HydrophobicContact CB-CE1 3.8Å; N260-Y275 HydrophobicContact CB-CG 4.22Å; N260-Y275 VanDerWaalsContact CG-CE1 3.47Å; L263-Y275 HydrophobicContact CB-CD2 4.18Å; L263-Y275 HydrophobicContact CB-CE2 3.63Å; L263-Y275 HydrophobicContact CD1-CE2 4.38Å; L263-Y275 WeakPolarHBondContact CD1-OH 3.48Å; R264-Y275 HydrophobicContact CB-CD2 4.38Å; R264-Y275 WeakPolarHBondContact CD-O 3.32Å; R264-Y275 PolarHBondContact NH1-O 3.47Å; M267-Y275 HydrophobicContact SD-CE2 4.03Å; G271-Y275 PolarHBondContact O-N 2.98Å; Y275-N280 CarbonylContact C-O 3.53Å; Y275-N280 WeakPolarHBondContact CA-O 2.91Å; Y275-L281 HydrophobicContact CD1-CD2 3.73Å; Y275-L281 HydrophobicContact CE1-CD2 3.53Å; Y275-F282 VanDerWaalsContact C-CD2 3.45Å; Y275-F282 VanDerWaalsContact C-CE2 3.47Å; Y275-F282 VanDerWaalsContact O-CE2 3.31Å; Y275-F282 WeakPolarHBondContact O-CE2 3.49Å |
| 276 | A | 91.4 | Very high | 83.3 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 11% | 0.107 | 39% | 0.389 | C | S | . | . | trans | -64 | 157.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S278 G279 N280 F282 | A276-S278 PolarHBondContact O-N 3.23Å; A276-G279 PolarHBondContact O-N 2.83Å; A276-N280 HydrophobicContact CB-CB 4.36Å; A276-N280 PolarHBondContact N-O 3.01Å; A276-F282 VanDerWaalsContact CA-CE2 3.45Å; A276-F282 HydrophobicContact CB-CD1 4.44Å; A276-F282 HydrophobicContact CB-CE1 4.09Å; A276-F282 HydrophobicContact CB-CE2 4.18Å; A276-F282 HydrophobicContact CB-CZ 3.95Å | ||
| 277 | P | 91.9 | Very high | 81.1 | Confident | 95 Ų | 95 | 75.7 Ų | 75.7 | 62% | 0.617 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26 | 173.9 | -26.9 | 35.4 | 0 | 0 | 0 | 113.9 | K261 G279 | K261-P277 WeakPolarHBondContact CE-O 3.26Å; P277-G279 VanDerWaalsContact C-N 3.26Å; P277-G279 PolarHBondContact O-N 3.46Å |
| 278 | S | 92.3 | Very high | 79.1 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 34% | 0.336 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -16.2 | 174.1 | 55.9 | 0 | 0 | 0 | 0 | 114 | K261 A276 N280 | K261-S278 WeakPolarHBondContact CE-O 3.47Å; A276-S278 PolarHBondContact O-N 3.23Å; S278-N280 PolarHBondContact OG-ND2 3.37Å |
| 279 | G | 92.4 | Very high | 77.5 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 41% | 0.409 | C | S | . | . | S | Bend | trans | 92.5 | -2.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | N260 A276 P277 | N260-G279 WeakPolarHBondContact CB-O 3.43Å; N260-G279 PolarHBondContact ND2-O 3.35Å; A276-G279 PolarHBondContact O-N 2.83Å; P277-G279 VanDerWaalsContact C-N 3.26Å; P277-G279 PolarHBondContact O-N 3.46Å |
| 280 | N | 93.1 | Very high | 76 | Confident | 19 Ų | 19 | 76.5 Ų | 76.5 | 10% | 0.102 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -69 | 158.3 | 170.5 | -73.1 | -39.7 | 0 | 0 | 0 | 111.1 | Y275 A276 S278 Y294 T295 | Y275-N280 CarbonylContact C-O 3.53Å; Y275-N280 WeakPolarHBondContact CA-O 2.91Å; A276-N280 HydrophobicContact CB-CB 4.36Å; A276-N280 PolarHBondContact N-O 3.01Å; S278-N280 PolarHBondContact OG-ND2 3.37Å; N280-Y294 PolarHBondContact OD1-N 3.34Å; N280-T295 WeakPolarHBondContact ND2-CG2 3.5Å; N280-T295 PolarHBondContact ND2-OG1 3.49Å; N280-T295 PolarHBondContact OD1-N 2.97Å; N280-T295 VanDerWaalsContact OD1-N 3.1Å |
| 281 | L | 88.1 | Confident | 75.1 | Confident | 63 Ų | 63 | 73.9 Ų | 73.9 | 33% | 0.33 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -73.3 | 139.5 | 169 | -61.2 | 175.1 | 0 | 0 | 0 | 109.4 | Y275 Y294 | Y275-L281 HydrophobicContact CD1-CD2 3.73Å; Y275-L281 HydrophobicContact CE1-CD2 3.53Å; L281-Y294 HydrophobicContact CD1-CE2 4.16Å; L281-Y294 HydrophobicContact CG-CE2 3.89Å |
| 282 | F | 80 | Confident | 74.8 | Confident | 89 Ų | 89 | 74 Ų | 74 | 39% | 0.39 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 146.9 | 166.8 | -85.8 | -63.5 | 0 | 0 | 0 | 110.1 | E272 E273 M274 Y275 A276 A284 | E272-F282 VanDerWaalsContact O-CE2 3.31Å; E272-F282 WeakPolarHBondContact O-CE2 3.22Å; E273-F282 WeakPolarHBondContact O-CB 3.2Å; M274-F282 PolarHBondContact O-N 3.4Å; Y275-F282 VanDerWaalsContact C-CD2 3.45Å; Y275-F282 VanDerWaalsContact C-CE2 3.47Å; Y275-F282 VanDerWaalsContact O-CE2 3.31Å; Y275-F282 WeakPolarHBondContact O-CE2 3.49Å; A276-F282 VanDerWaalsContact CA-CE2 3.45Å; A276-F282 HydrophobicContact CB-CD1 4.44Å; A276-F282 HydrophobicContact CB-CE1 4.09Å; A276-F282 HydrophobicContact CB-CE2 4.18Å; A276-F282 HydrophobicContact CB-CZ 3.95Å; F282-A284 PolarHBondContact O-N 2.81Å |
| 283 | P | 61.2 | Low | 74.8 | Confident | 67 Ų | 67 | 71.2 Ų | 71.2 | 44% | 0.435 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 129.2 | 174.3 | -15.9 | 27.7 | 0 | 0 | 0 | 109.2 | H285 L289 | P283-H285 PolarHBondContact O-N 3.24Å; P283-L289 HydrophobicContact CB-CD2 4.11Å; P283-L289 HydrophobicContact CG-CD2 3.89Å |
| 284 | A | 55.9 | Low | 75 | Confident | 66 Ų | 66 | 66.7 Ų | 66.7 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -59.6 | -31.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | F282 | F282-A284 PolarHBondContact O-N 2.81Š|
| 285 | H | 54.3 | Low | 75.3 | Confident | 126 Ų | 126 | 64.5 Ų | 64.5 | 58% | 0.583 | 35% | 0.354 | S | S | * | . | B | Isolated β-bridge | trans | -145.1 | 153.6 | 178 | -52.9 | -57.9 | 0 | 0 | 0 | 110.6 | P283 L287 Q288 | P283-H285 PolarHBondContact O-N 3.24Å; H285-L287 PolarHBondContact O-N 3.22Å; H285-Q288 PolarHBondContact O-N 2.95Å; H285-Q288 VanDerWaalsContact O-N 3.11Å |
| 286 | V | 46.7 | Very low | 75.5 | Confident | 152 Ų | 152 | 65 Ų | 65 | 92% | 0.921 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -22.7 | -178.6 | 179.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 287 | L | 42.2 | Very low | 75.8 | Confident | 136 Ų | 136 | 64.7 Ų | 64.7 | 71% | 0.712 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | 4.3 | -174.5 | -62.6 | 173.4 | 0 | 0 | 0 | 114.4 | H285 | H285-L287 PolarHBondContact O-N 3.22Š|
| 288 | Q | 49.8 | Very low | 76 | Confident | 39 Ų | 39 | 63.5 Ų | 63.5 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -140.8 | 117.4 | -175.4 | -157.7 | 178.6 | -1.4 | 0 | 0 | 113.5 | F220 D224 H285 K290 | F220-Q288 HydrophobicContact CD1-CB 4.47Å; F220-Q288 HydrophobicContact CD1-CG 4.31Å; D224-Q288 WeakPolarHBondContact OD1-CG 3.44Å; D224-Q288 WeakPolarHBondContact OD2-CA 3.42Å; H285-Q288 PolarHBondContact O-N 2.95Å; H285-Q288 VanDerWaalsContact O-N 3.11Å; Q288-K290 PolarHBondContact O-N 2.71Å |
| 289 | L | 57.2 | Low | 76.2 | Confident | 74 Ų | 74 | 66.8 Ų | 66.8 | 39% | 0.387 | 35% | 0.35 | S | S | . | . | trans | -93 | 83.3 | 167.5 | -69.9 | 171.6 | 0 | 0 | 0 | 108.5 | D224 P283 H291 | D224-L289 PolarHBondContact OD2-N 3.44Å; P283-L289 HydrophobicContact CB-CD2 4.11Å; P283-L289 HydrophobicContact CG-CD2 3.89Å; L289-H291 PolarHBondContact O-N 2.76Å; L289-H291 VanDerWaalsContact O-N 3.07Å | ||
| 290 | K | 59.2 | Low | 76.4 | Confident | 128 Ų | 128 | 68.2 Ų | 68.2 | 56% | 0.557 | 37% | 0.365 | S | S | * | . | trans | -57.7 | -25.7 | -178.9 | -168.6 | 176.5 | 178.9 | -179.5 | 0 | 113.4 | Q288 | Q288-K290 PolarHBondContact O-N 2.71Š| ||
| 291 | H | 69 | Low | 76.6 | Confident | 88 Ų | 88 | 67.4 Ų | 67.4 | 41% | 0.407 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -138.2 | 143.4 | 179.2 | -64.6 | -64.3 | 0 | 0 | 0 | 111.6 | L289 | L289-H291 PolarHBondContact O-N 2.76Å; L289-H291 VanDerWaalsContact O-N 3.07Å |
| 292 | T | 84.4 | Confident | 77 | Confident | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | trans | -62.9 | 133 | 172.7 | -47.5 | 0 | 0 | 0 | 0 | 110 | Q228 D231 Y232 Y294 R297 | Q228-T292 WeakPolarHBondContact CA-OG1 3.25Å; D231-T292 WeakPolarHBondContact CB-OG1 3.48Å; D231-T292 WeakPolarHBondContact OD2-CB 3.19Å; D231-T292 PolarHBondContact OD2-N 2.97Å; D231-T292 PolarHBondContact OD2-OG1 3.04Å; Y232-T292 HydrophobicContact CD1-CG2 4.48Å; Y232-T292 HydrophobicContact CD2-CG2 4.35Å; Y232-T292 HydrophobicContact CE1-CG2 3.74Å; Y232-T292 HydrophobicContact CE2-CG2 3.56Å; Y232-T292 WeakPolarHBondContact OH-CG2 3.39Å; T292-Y294 PolarHBondContact O-N 3.29Å; T292-R297 HydrophobicContact CG2-CG 3.7Å | ||
| 293 | P | 91.6 | Very high | 77.7 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 31% | 0.312 | 36% | 0.356 | S | S | . | . | trans | -53 | 126.3 | 176.7 | -26.6 | 34.7 | 0 | 0 | 0 | 111.8 | T295 S296 R297 | P293-T295 PolarHBondContact O-N 3.44Å; P293-S296 WeakPolarHBondContact O-CB 3.17Å; P293-S296 PolarHBondContact O-N 2.97Å; P293-R297 WeakPolarHBondContact O-CG 3.47Å; P293-R297 PolarHBondContact O-N 3.12Å; P293-R297 VanDerWaalsContact O-N 3.1Å | ||
| 294 | Y | 94.6 | Very high | 79.2 | Confident | 35 Ų | 35 | 63 Ų | 63 | 14% | 0.137 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.6 | -33 | -179.9 | -61.3 | -52.4 | 0 | 0 | 0 | 112.6 | Y253 I256 N280 L281 T292 R297 R298 | Y253-Y294 AromaticContact CD1-CD1 3.89Å; Y253-Y294 HydrophobicContact CD1-CD1 3.89Å; Y253-Y294 HydrophobicContact CD1-CG 4.33Å; Y253-Y294 AromaticContact CE1-CD1 3.73Å; Y253-Y294 HydrophobicContact CE1-CD1 3.73Å; Y253-Y294 HydrophobicContact CE1-CE1 4.43Å; I256-Y294 HydrophobicContact CG2-CD1 4.27Å; I256-Y294 HydrophobicContact CG2-CD2 3.62Å; I256-Y294 HydrophobicContact CG2-CE1 4.36Å; I256-Y294 HydrophobicContact CG2-CE2 3.73Å; I256-Y294 HydrophobicContact CG2-CG 3.91Å; N280-Y294 PolarHBondContact OD1-N 3.34Å; L281-Y294 HydrophobicContact CD1-CE2 4.16Å; L281-Y294 HydrophobicContact CG-CE2 3.89Å; T292-Y294 PolarHBondContact O-N 3.29Å; Y294-R297 PolarHBondContact O-N 3.18Å; Y294-R298 WeakPolarHBondContact O-CB 3.26Å; Y294-R298 PolarHBondContact O-N 3.01Å |
| 295 | T | 95.3 | Very high | 80.9 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 26% | 0.258 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 172.9 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | L257 N280 P293 R298 E299 | L257-T295 HydrophobicContact CD1-CG2 3.94Å; L257-T295 HydrophobicContact CD2-CG2 3.91Å; N280-T295 WeakPolarHBondContact ND2-CG2 3.5Å; N280-T295 PolarHBondContact ND2-OG1 3.49Å; N280-T295 PolarHBondContact OD1-N 2.97Å; N280-T295 VanDerWaalsContact OD1-N 3.1Å; P293-T295 PolarHBondContact O-N 3.44Å; T295-R298 WeakPolarHBondContact O-CB 3.47Å; T295-R298 PolarHBondContact O-N 3.23Å; T295-E299 WeakPolarHBondContact O-CG 3.4Å; T295-E299 PolarHBondContact O-N 2.95Å |
| 296 | S | 95.4 | Very high | 82.6 | Confident | 36 Ų | 36 | 62.5 Ų | 62.5 | 25% | 0.252 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.1 | -38.4 | 179.3 | -179 | 0 | 0 | 0 | 0 | 111.9 | Y232 P293 E299 G300 | Y232-S296 PolarHBondContact OH-OG 3.14Å; P293-S296 WeakPolarHBondContact O-CB 3.17Å; P293-S296 PolarHBondContact O-N 2.97Å; S296-E299 PolarHBondContact O-N 3.06Å; S296-G300 PolarHBondContact O-N 3.28Å |
| 297 | R | 96.7 | Very high | 84.3 | Confident | 6 Ų | 6 | 61.5 Ų | 61.5 | 2% | 0.023 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -44.9 | 175.2 | -61.6 | 178 | 76 | 147.8 | 12.3 | 111.7 | D231 Y232 D235 Y253 T292 P293 Y294 G300 I301 | D231-R297 VanDerWaalsContact CG-CZ 3.46Å; D231-R297 PolarHBondContact O-NH2 3.45Å; D231-R297 IonicContact OD1-CZ 2.66Å; D231-R297 VanDerWaalsContact OD1-CZ 3.31Å; D231-R297 IonicContact OD1-NH1 3.93Å; D231-R297 PolarHBondContact OD1-NH1 3.2Å; D231-R297 IonicContact OD1-NH2 2.89Å; D231-R297 PolarHBondContact OD1-NH2 2.89Å; D231-R297 IonicContact OD2-CZ 3.87Å; D231-R297 IonicContact OD2-NH1 2.82Å; D231-R297 PolarHBondContact OD2-NH1 3.49Å; Y232-R297 HydrophobicContact CE1-CG 4.34Å; D235-R297 IonicContact OD1-CZ 3.95Å; D235-R297 IonicContact OD1-NE 3.24Å; D235-R297 IonicContact OD1-NH2 2.74Å; D235-R297 PolarHBondContact OD1-NH2 3Å; D235-R297 IonicContact OD2-CZ 2.91Å; D235-R297 IonicContact OD2-NE 2.91Å; D235-R297 PolarHBondContact OD2-NE 3.39Å; D235-R297 IonicContact OD2-NH2 2.92Å; D235-R297 PolarHBondContact OD2-NH2 3.17Å; Y253-R297 HydrophobicContact CD2-CB 4.28Å; Y253-R297 HydrophobicContact CE1-CB 4.17Å; Y253-R297 HydrophobicContact CE2-CB 3.85Å; Y253-R297 PolarHBondContact OH-NE 3.41Å; Y253-R297 PolarHBondContact OH-NH2 3.41Å; T292-R297 HydrophobicContact CG2-CG 3.7Å; P293-R297 WeakPolarHBondContact O-CG 3.47Å; P293-R297 PolarHBondContact O-N 3.12Å; P293-R297 VanDerWaalsContact O-N 3.1Å; Y294-R297 PolarHBondContact O-N 3.18Å; R297-G300 PolarHBondContact O-N 2.88Å; R297-I301 PolarHBondContact O-N 3.2Å |
| 298 | R | 97.3 | Very high | 85.9 | Confident | 69 Ų | 69 | 60.5 Ų | 60.5 | 26% | 0.26 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 174.2 | -176.3 | -172.6 | 172.5 | -103.7 | 11.8 | 112.1 | V250 Y253 D254 Y294 T295 G300 I301 L302 | V250-R298 HydrophobicContact CG1-CG 4.33Å; Y253-R298 HydrophobicContact CD2-CB 4.36Å; Y253-R298 HydrophobicContact CG-CB 4.29Å; D254-R298 VanDerWaalsContact OD1-CD 3.29Å; D254-R298 WeakPolarHBondContact OD1-CD 3.5Å; D254-R298 IonicContact OD1-CZ 3.36Å; D254-R298 VanDerWaalsContact OD1-CZ 3.26Å; D254-R298 IonicContact OD1-NE 3.33Å; D254-R298 PolarHBondContact OD1-NE 3.41Å; D254-R298 IonicContact OD1-NH2 2.89Å; D254-R298 PolarHBondContact OD1-NH2 3.24Å; D254-R298 IonicContact OD2-CZ 2.98Å; D254-R298 IonicContact OD2-NE 3.31Å; D254-R298 PolarHBondContact OD2-NE 3.47Å; D254-R298 IonicContact OD2-NH2 3.26Å; D254-R298 PolarHBondContact OD2-NH2 3.47Å; Y294-R298 WeakPolarHBondContact O-CB 3.26Å; Y294-R298 PolarHBondContact O-N 3.01Å; T295-R298 WeakPolarHBondContact O-CB 3.47Å; T295-R298 PolarHBondContact O-N 3.23Å; R298-G300 VanDerWaalsContact C-N 3.31Å; R298-G300 PolarHBondContact O-N 3.15Å; R298-I301 PolarHBondContact O-N 3.33Å; R298-L302 HydrophobicContact CG-CD1 4.37Å; R298-L302 PolarHBondContact O-N 3.37Å |
| 299 | E | 96.8 | Very high | 86.6 | Confident | 117 Ų | 117 | 65.6 Ų | 65.6 | 55% | 0.547 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 177.8 | -75.1 | 167.3 | -174 | 0 | 0 | 112 | T295 S296 I301 L302 A303 | T295-E299 WeakPolarHBondContact O-CG 3.4Å; T295-E299 PolarHBondContact O-N 2.95Å; S296-E299 PolarHBondContact O-N 3.06Å; E299-I301 VanDerWaalsContact C-N 3.32Å; E299-I301 PolarHBondContact O-N 2.84Å; E299-L302 PolarHBondContact O-N 3.28Å; E299-A303 PolarHBondContact O-N 2.85Å |
| 300 | G | 96.1 | Very high | 86.4 | Confident | 30 Ų | 30 | 69 Ų | 69 | 31% | 0.309 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.2 | -42.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.6 | S296 R297 R298 A303 L304 | S296-G300 PolarHBondContact O-N 3.28Å; R297-G300 PolarHBondContact O-N 2.88Å; R298-G300 VanDerWaalsContact C-N 3.31Å; R298-G300 PolarHBondContact O-N 3.15Å; G300-A303 PolarHBondContact O-N 2.96Å; G300-L304 WeakPolarHBondContact O-CG 3.31Å; G300-L304 PolarHBondContact O-N 3.33Å; G300-L304 VanDerWaalsContact O-N 3.16Å |
| 301 | I | 97.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 176.1 | -62.1 | 172.1 | 0 | 0 | 0 | 111.3 | F155 D235 A239 A246 V250 Y253 R297 R298 E299 A303 L304 M305 | F155-I301 HydrophobicContact CE1-CD1 4.26Å; F155-I301 HydrophobicContact CE2-CD1 3.75Å; F155-I301 HydrophobicContact CZ-CD1 3.42Å; F155-I301 VanDerWaalsContact CZ-CD1 3.42Å; D235-I301 HydrophobicContact CB-CD1 4.37Å; A239-I301 HydrophobicContact CB-CG1 4.19Å; A239-I301 HydrophobicContact CB-CG2 3.94Å; A246-I301 HydrophobicContact CB-CG2 4.35Å; A246-I301 WeakPolarHBondContact O-CG2 3.31Å; V250-I301 HydrophobicContact CG2-CB 4.4Å; V250-I301 HydrophobicContact CG2-CG2 3.83Å; Y253-I301 HydrophobicContact CD2-CD1 3.9Å; Y253-I301 HydrophobicContact CE2-CD1 3.71Å; R297-I301 PolarHBondContact O-N 3.2Å; R298-I301 PolarHBondContact O-N 3.33Å; E299-I301 VanDerWaalsContact C-N 3.32Å; E299-I301 PolarHBondContact O-N 2.84Å; I301-A303 VanDerWaalsContact C-N 3.27Å; I301-A303 PolarHBondContact O-N 3.4Å; I301-L304 WeakPolarHBondContact O-CB 3.33Å; I301-L304 PolarHBondContact O-N 3.06Å; I301-M305 WeakPolarHBondContact O-CG 3.35Å; I301-M305 PolarHBondContact O-N 3.33Å |
| 302 | L | 95.9 | Very high | 88.7 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.1 | -35.7 | 175.8 | -75.7 | 170.7 | 0 | 0 | 0 | 112.6 | V250 R298 E299 K306 | V250-L302 HydrophobicContact CG1-CD2 4Å; V250-L302 HydrophobicContact CG1-CG 4.35Å; V250-L302 HydrophobicContact CG2-CD2 3.66Å; V250-L302 HydrophobicContact CG2-CG 3.88Å; R298-L302 HydrophobicContact CG-CD1 4.37Å; R298-L302 PolarHBondContact O-N 3.37Å; E299-L302 PolarHBondContact O-N 3.28Å; L302-K306 WeakPolarHBondContact O-CG 3.44Å; L302-K306 PolarHBondContact O-N 3.32Å |
| 303 | A | 94.7 | Very high | 89 | Confident | 42 Ų | 42 | 68.3 Ų | 68.3 | 35% | 0.347 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E299 G300 I301 M305 K306 E307 | E299-A303 PolarHBondContact O-N 2.85Å; G300-A303 PolarHBondContact O-N 2.96Å; I301-A303 VanDerWaalsContact C-N 3.27Å; I301-A303 PolarHBondContact O-N 3.4Å; A303-M305 VanDerWaalsContact C-N 3.28Å; A303-M305 PolarHBondContact O-N 2.99Å; A303-K306 WeakPolarHBondContact O-CB 3.39Å; A303-K306 PolarHBondContact O-N 3.49Å; A303-E307 PolarHBondContact O-N 3.45Å |
| 304 | L | 92.3 | Very high | 88.8 | Confident | 32 Ų | 32 | 69.5 Ų | 69.5 | 17% | 0.168 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -55.6 | -43.2 | 175.4 | -66.5 | 168.9 | 0 | 0 | 0 | 111.8 | K236 A239 G300 I301 K306 E307 E308 | K236-L304 HydrophobicContact CB-CD1 4.07Å; K236-L304 HydrophobicContact CD-CD1 4.46Å; K236-L304 HydrophobicContact CD-CD2 4.16Å; K236-L304 HydrophobicContact CG-CD1 3.8Å; K236-L304 HydrophobicContact CG-CD2 4.21Å; A239-L304 HydrophobicContact CB-CD1 4.48Å; G300-L304 WeakPolarHBondContact O-CG 3.31Å; G300-L304 PolarHBondContact O-N 3.33Å; G300-L304 VanDerWaalsContact O-N 3.16Å; I301-L304 WeakPolarHBondContact O-CB 3.33Å; I301-L304 PolarHBondContact O-N 3.06Å; L304-K306 PolarHBondContact O-N 2.9Å; L304-E307 PolarHBondContact O-N 3.49Å; L304-E308 PolarHBondContact O-N 3.32Å |
| 305 | M | 91.4 | Very high | 88.4 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 15% | 0.148 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.1 | -22.4 | 177.5 | -69.5 | 179.9 | 70.4 | 0 | 0 | 114.5 | A246 R247 V250 I301 A303 | A246-M305 HydrophobicContact CB-CG 3.55Å; A246-M305 HydrophobicContact CB-SD 3.94Å; R247-M305 HydrophobicContact CG-CE 3.66Å; V250-M305 HydrophobicContact CG2-SD 3.82Å; I301-M305 WeakPolarHBondContact O-CG 3.35Å; I301-M305 PolarHBondContact O-N 3.33Å; A303-M305 VanDerWaalsContact C-N 3.28Å; A303-M305 PolarHBondContact O-N 2.99Å |
| 306 | K | 90.2 | Very high | 88 | Confident | 153 Ų | 153 | 73.7 Ų | 73.7 | 67% | 0.665 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -83.8 | -39.4 | 176 | -72.8 | 175.2 | -178.4 | -179.5 | 0 | 110.9 | L302 A303 L304 E308 K309 | L302-K306 WeakPolarHBondContact O-CG 3.44Å; L302-K306 PolarHBondContact O-N 3.32Å; A303-K306 WeakPolarHBondContact O-CB 3.39Å; A303-K306 PolarHBondContact O-N 3.49Å; L304-K306 PolarHBondContact O-N 2.9Å; K306-E308 VanDerWaalsContact C-N 3.34Å; K306-E308 PolarHBondContact O-N 3.04Å; K306-K309 PolarHBondContact O-N 3.06Å; K306-K309 VanDerWaalsContact O-N 3.15Å |
| 307 | E | 84 | Confident | 87.5 | Confident | 131 Ų | 131 | 76.4 Ų | 76.4 | 61% | 0.612 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.7 | -39.5 | 176.9 | -70.6 | 174.3 | -175.9 | 0 | 0 | 111.8 | A303 L304 K309 A310 | A303-E307 PolarHBondContact O-N 3.45Å; L304-E307 PolarHBondContact O-N 3.49Å; E307-K309 PolarHBondContact O-N 2.92Å; E307-K309 VanDerWaalsContact O-N 3.17Å; E307-A310 PolarHBondContact O-N 3.29Å |
| 308 | E | 74.8 | Confident | 86.7 | Confident | 114 Ų | 114 | 81.8 Ų | 81.8 | 53% | 0.533 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -13.9 | 175.7 | -73.6 | -177.8 | 170.7 | 0 | 0 | 114.7 | L304 K306 | L304-E308 PolarHBondContact O-N 3.32Å; K306-E308 VanDerWaalsContact C-N 3.34Å; K306-E308 PolarHBondContact O-N 3.04Å |
| 309 | K | 64.1 | Low | 85.9 | Confident | 146 Ų | 146 | 82.8 Ų | 82.8 | 64% | 0.635 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -12.9 | 179.2 | -69 | -179.6 | -177.4 | 179.7 | 0 | 113.5 | K306 E307 | K306-K309 PolarHBondContact O-N 3.06Å; K306-K309 VanDerWaalsContact O-N 3.15Å; E307-K309 PolarHBondContact O-N 2.92Å; E307-K309 VanDerWaalsContact O-N 3.17Å |
| 310 | A | 53 | Low | 84.9 | Confident | 145 Ų | 145 | 79.7 Ų | 79.7 | 100% | 1.198 | 45% | 0.445 | S | S | * | . | trans | -92.8 | 0 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E307 | E307-A310 PolarHBondContact O-N 3.29Š|
Retrieved 310 of 310 residues in 169.6 ms
(Link to these results)