| 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 | 32.5 | Very low | 39.8 | Very low | 232 Ų | 232 | 149.7 Ų | 149.7 | 100% | 1.143 | 76% | 0.763 | S | S | * | * | 0 | 66.7 | 0 | -162.6 | -171.2 | -76 | 0 | 0 | 109.6 | |||||
| 2 | W | 37.3 | Very low | 39.9 | Very low | 252 Ų | 252 | 152.7 Ų | 152.7 | 96% | 0.955 | 76% | 0.757 | S | S | * | * | trans | -145.1 | 102.6 | 178.2 | -80.2 | 71.5 | 0 | 0 | 0 | 108.7 | ||||
| 3 | S | 35.3 | Very low | 40.5 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 86% | 0.86 | 75% | 0.746 | S | S | * | * | trans | -172.5 | 70.8 | 166.5 | -90.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 4 | R | 42.9 | Very low | 41.2 | Very low | 257 Ų | 257 | 144.1 Ų | 144.1 | 97% | 0.97 | 73% | 0.726 | S | S | * | * | trans | -147.3 | 85.5 | 166.9 | -74.7 | -166.3 | 175.7 | -161.6 | -1 | 108.2 | ||||
| 5 | G | 44.4 | Very low | 42 | Very low | 51 Ų | 51 | 137.8 Ų | 137.8 | 53% | 0.526 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -160.4 | -35.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 6 | F | 42.3 | Very low | 42.9 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 81% | 0.811 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -82.8 | -20.6 | -172.3 | -81 | -85.4 | 0 | 0 | 0 | 115.5 | ||
| 7 | G | 35.8 | Very low | 43.9 | Very low | 51 Ų | 51 | 129.8 Ų | 129.8 | 53% | 0.526 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -75.5 | -34.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | V11 | G7-V11 WeakPolarHBondContact O-CB 3.49Å; G7-V11 WeakPolarHBondContact O-CG2 3.43Å; G7-V11 PolarHBondContact O-N 3.08Å |
| 8 | L | 40.3 | Very low | 45 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.5 | -27.8 | -172.6 | -94.8 | 141.7 | 0 | 0 | 0 | 113.7 | R12 | L8-R12 WeakPolarHBondContact O-CB 3.42Å; L8-R12 WeakPolarHBondContact O-CG 3.18Å; L8-R12 PolarHBondContact O-N 2.97Å; L8-R12 VanDerWaalsContact O-N 3.08Å |
| 9 | Q | 39.5 | Very low | 47 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 67% | 0.673 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -80.3 | -39.6 | -177.5 | -143 | 166.9 | 2.6 | 0 | 0 | 111.8 | R12 Q13 | Q9-R12 PolarHBondContact O-N 2.87Å; Q9-Q13 PolarHBondContact O-N 3.46Å |
| 10 | L | 40.5 | Very low | 49.2 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 62% | 0.623 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65.7 | -41.7 | 172.1 | -100.8 | 148.8 | 0 | 0 | 0 | 112.2 | Q13 A14 | L10-Q13 PolarHBondContact O-N 2.94Å; L10-A14 VanDerWaalsContact O-CB 3.27Å; L10-A14 WeakPolarHBondContact O-CB 3.37Å; L10-A14 PolarHBondContact O-N 2.7Å |
| 11 | V | 47 | Very low | 51.4 | Low | 100 Ų | 100 | 117 Ų | 117 | 61% | 0.606 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -67.4 | -38 | 176 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | G7 S15 | G7-V11 WeakPolarHBondContact O-CB 3.49Å; G7-V11 WeakPolarHBondContact O-CG2 3.43Å; G7-V11 PolarHBondContact O-N 3.08Å; V11-S15 VanDerWaalsContact O-CB 3.27Å; V11-S15 WeakPolarHBondContact O-CB 3.45Å; V11-S15 PolarHBondContact O-N 3.2Å; V11-S15 PolarHBondContact O-OG 3.44Å |
| 12 | R | 41.1 | Very low | 54.4 | Low | 185 Ų | 185 | 106.5 Ų | 106.5 | 70% | 0.698 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65 | -47.1 | 173 | -85.9 | -177.3 | 168.6 | -170.4 | -2.9 | 112.3 | L8 Q9 A14 S15 T16 | L8-R12 WeakPolarHBondContact O-CB 3.42Å; L8-R12 WeakPolarHBondContact O-CG 3.18Å; L8-R12 PolarHBondContact O-N 2.97Å; L8-R12 VanDerWaalsContact O-N 3.08Å; Q9-R12 PolarHBondContact O-N 2.87Å; R12-A14 PolarHBondContact O-N 3.1Å; R12-S15 WeakPolarHBondContact CA-OG 3.44Å; R12-S15 PolarHBondContact O-N 2.98Å; R12-S15 PolarHBondContact O-OG 3.34Å; R12-T16 PolarHBondContact O-N 3.08Å; R12-T16 PolarHBondContact O-OG1 3.35Å; R12-T16 VanDerWaalsContact O-OG1 3.1Å |
| 13 | Q | 47.4 | Very low | 57.2 | Low | 130 Ų | 130 | 94.9 Ų | 94.9 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.2 | -44.6 | 175.4 | -97.4 | 177 | -26.6 | 0 | 0 | 112.2 | Q9 L10 S15 T16 V17 | Q9-Q13 PolarHBondContact O-N 3.46Å; L10-Q13 PolarHBondContact O-N 2.94Å; Q13-S15 VanDerWaalsContact C-N 3.31Å; Q13-S15 PolarHBondContact O-N 3.49Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.2Å; Q13-T16 PolarHBondContact O-N 3.22Å; Q13-T16 PolarHBondContact O-OG1 2.89Å; Q13-V17 WeakPolarHBondContact O-CG2 3.27Å; Q13-V17 PolarHBondContact O-N 3.11Å; Q13-V17 VanDerWaalsContact O-N 3.07Å |
| 14 | A | 51.3 | Low | 60.1 | Low | 56 Ų | 56 | 89.7 Ų | 89.7 | 46% | 0.463 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.3 | -36.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L10 R12 | L10-A14 VanDerWaalsContact O-CB 3.27Å; L10-A14 WeakPolarHBondContact O-CB 3.37Å; L10-A14 PolarHBondContact O-N 2.7Å; R12-A14 PolarHBondContact O-N 3.1Å |
| 15 | S | 53.2 | Low | 62.5 | Low | 49 Ų | 49 | 78 Ų | 78 | 34% | 0.343 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -70.2 | -34.8 | 177.2 | 74.9 | 0 | 0 | 0 | 0 | 113.3 | V11 R12 Q13 | V11-S15 VanDerWaalsContact O-CB 3.27Å; V11-S15 WeakPolarHBondContact O-CB 3.45Å; V11-S15 PolarHBondContact O-N 3.2Å; V11-S15 PolarHBondContact O-OG 3.44Å; R12-S15 WeakPolarHBondContact CA-OG 3.44Å; R12-S15 PolarHBondContact O-N 2.98Å; R12-S15 PolarHBondContact O-OG 3.34Å; Q13-S15 VanDerWaalsContact C-N 3.31Å; Q13-S15 PolarHBondContact O-N 3.49Å |
| 16 | T | 56.6 | Low | 64.8 | Low | 74 Ų | 74 | 75.5 Ų | 75.5 | 45% | 0.454 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -75.8 | -34.1 | 177.6 | 46.5 | 0 | 0 | 0 | 0 | 112.8 | R12 Q13 R18 Q19 | R12-T16 PolarHBondContact O-N 3.08Å; R12-T16 PolarHBondContact O-OG1 3.35Å; R12-T16 VanDerWaalsContact O-OG1 3.1Å; Q13-T16 WeakPolarHBondContact CA-OG1 3.2Å; Q13-T16 PolarHBondContact O-N 3.22Å; Q13-T16 PolarHBondContact O-OG1 2.89Å; T16-R18 PolarHBondContact O-N 3.07Å; T16-Q19 PolarHBondContact O-N 2.8Å; T16-Q19 VanDerWaalsContact O-N 3.09Å |
| 17 | V | 59.4 | Low | 66.9 | Low | 66 Ų | 66 | 69.2 Ų | 69.2 | 40% | 0.4 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -63.1 | -33.5 | 177.5 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | Q13 Q19 L55 | Q13-V17 WeakPolarHBondContact O-CG2 3.27Å; Q13-V17 PolarHBondContact O-N 3.11Å; Q13-V17 VanDerWaalsContact O-N 3.07Å; V17-Q19 VanDerWaalsContact C-N 3.26Å; V17-Q19 PolarHBondContact O-N 2.87Å; V17-L55 WeakPolarHBondContact CG1-O 3.38Å |
| 18 | R | 63.9 | Low | 69.2 | Low | 140 Ų | 140 | 67.9 Ų | 67.9 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 7.9 | 176.1 | -65.2 | -174.9 | 176.7 | -177.2 | -4.3 | 114.4 | T16 N269 H272 | T16-R18 PolarHBondContact O-N 3.07Å; R18-N269 PolarHBondContact O-ND2 3.05Å; R18-H272 HydrophobicContact CB-CB 4.33Å; R18-H272 WeakPolarHBondContact O-CB 3.31Å |
| 19 | Q | 83.3 | Confident | 71.6 | Confident | 76 Ų | 76 | 63 Ų | 63 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -1.4 | 174 | -65.6 | 179.4 | -5.5 | 0 | 0 | 112.8 | T16 V17 L274 S275 T276 | T16-Q19 PolarHBondContact O-N 2.8Å; T16-Q19 VanDerWaalsContact O-N 3.09Å; V17-Q19 VanDerWaalsContact C-N 3.26Å; V17-Q19 PolarHBondContact O-N 2.87Å; Q19-L274 CarbonylContact O-C 3.51Å; Q19-L274 WeakPolarHBondContact O-CA 3.47Å; Q19-S275 WeakPolarHBondContact CB-OG 3.49Å; Q19-S275 PolarHBondContact O-N 3.11Å; Q19-S275 PolarHBondContact O-OG 2.87Å; Q19-T276 PolarHBondContact O-N 3.31Å |
| 20 | V | 90.8 | Very high | 74.2 | Confident | 34 Ų | 34 | 56.3 Ų | 56.3 | 21% | 0.206 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 137.6 | -179.2 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | P57 T276 Y278 | V20-P57 WeakPolarHBondContact O-CD 3.38Å; V20-T276 WeakPolarHBondContact CA-O 3.39Å; V20-Y278 HydrophobicContact CG1-CD2 3.51Å; V20-Y278 HydrophobicContact CG1-CE2 3.52Å; V20-Y278 HydrophobicContact CG2-CE2 4.47Å |
| 21 | G | 94.3 | Very high | 76.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 155.4 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | P57 T276 I277 Y278 | G21-P57 WeakPolarHBondContact CA-O 3.47Å; G21-T276 PolarHBondContact N-O 3.3Å; G21-I277 WeakPolarHBondContact O-CA 3.1Å; G21-Y278 PolarHBondContact O-N 2.79Å |
| 22 | V | 95.6 | Very high | 78.5 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 7% | 0.067 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 130.9 | 179 | -174.4 | 0 | 0 | 0 | 0 | 111.1 | F24 F56 P57 V58 V59 Y278 V280 | V22-F24 HydrophobicContact CB-CE2 4.18Å; V22-F24 HydrophobicContact CG1-CD2 3.95Å; V22-F24 HydrophobicContact CG1-CE1 4.19Å; V22-F24 HydrophobicContact CG1-CE2 3.43Å; V22-F24 VanDerWaalsContact CG1-CE2 3.43Å; V22-F24 HydrophobicContact CG1-CZ 3.55Å; V22-F56 HydrophobicContact CB-CD2 4.19Å; V22-F56 HydrophobicContact CB-CE2 3.72Å; V22-F56 HydrophobicContact CG2-CD2 3.66Å; V22-F56 HydrophobicContact CG2-CE2 3.18Å; V22-F56 HydrophobicContact CG2-CZ 3.82Å; V22-P57 PolarHBondContact N-O 2.87Å; V22-V58 HydrophobicContact CB-CG2 4.49Å; V22-V58 WeakPolarHBondContact O-CA 3.34Å; V22-V59 PolarHBondContact O-N 3.4Å; V22-Y278 CarbonylContact C-O 3.53Å; V22-Y278 WeakPolarHBondContact CA-O 3.33Å; V22-V280 HydrophobicContact CG1-CG2 4.15Å |
| 23 | L | 96.1 | Very high | 80.4 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 122.4 | 170.8 | -59.3 | -178.4 | 0 | 0 | 0 | 108.7 | V59 V61 Y258 A261 L265 I277 Y278 A279 V280 | L23-V59 CarbonylContact C-O 3.6Å; L23-V59 VanDerWaalsContact CA-O 3.31Å; L23-V59 WeakPolarHBondContact CA-O 3.42Å; L23-V59 HydrophobicContact CD2-CB 3.63Å; L23-V59 HydrophobicContact CD2-CG1 4.06Å; L23-V61 HydrophobicContact CD2-CG2 4.47Å; L23-Y258 HydrophobicContact CD1-CD1 3.66Å; L23-Y258 HydrophobicContact CD1-CE1 4.07Å; L23-A261 HydrophobicContact CD1-CB 4.13Å; L23-A261 HydrophobicContact CD2-CB 3.83Å; L23-L265 HydrophobicContact CD2-CD1 3.41Å; L23-L265 VanDerWaalsContact CD2-CD1 3.41Å; L23-L265 HydrophobicContact CD2-CD2 4.3Å; L23-L265 HydrophobicContact CD2-CG 3.83Å; L23-L265 HydrophobicContact CG-CD1 3.88Å; L23-I277 HydrophobicContact CD1-CG2 4.04Å; L23-I277 HydrophobicContact CG-CG2 3.9Å; L23-Y278 PolarHBondContact N-O 2.58Å; L23-A279 HydrophobicContact CB-CB 4.44Å; L23-V280 PolarHBondContact O-N 2.78Å |
| 24 | F | 95.8 | Very high | 82.2 | Confident | 15 Ų | 15 | 40.9 Ų | 40.9 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 123.1 | 172 | -72.8 | -76.3 | 0 | 0 | 0 | 110.2 | V22 L30 L44 L47 V58 V59 F60 V61 V280 | V22-F24 HydrophobicContact CB-CE2 4.18Å; V22-F24 HydrophobicContact CG1-CD2 3.95Å; V22-F24 HydrophobicContact CG1-CE1 4.19Å; V22-F24 HydrophobicContact CG1-CE2 3.43Å; V22-F24 VanDerWaalsContact CG1-CE2 3.43Å; V22-F24 HydrophobicContact CG1-CZ 3.55Å; F24-L30 HydrophobicContact CB-CD1 3.9Å; F24-L30 HydrophobicContact CB-CG 4.5Å; F24-L30 HydrophobicContact CD1-CD2 4.29Å; F24-L30 HydrophobicContact CG-CD1 4.39Å; F24-L44 HydrophobicContact CD2-CD2 4.29Å; F24-L44 HydrophobicContact CE2-CD2 3.96Å; F24-L44 HydrophobicContact CZ-CD2 4.21Å; F24-L47 HydrophobicContact CE2-CD1 3.8Å; F24-L47 HydrophobicContact CZ-CD1 3.52Å; F24-V58 HydrophobicContact CD2-CG1 3.69Å; F24-V58 HydrophobicContact CE2-CG1 3.93Å; F24-V59 PolarHBondContact N-O 3.41Å; F24-F60 HydrophobicContact CB-CD1 3.94Å; F24-F60 HydrophobicContact CB-CE1 4.29Å; F24-F60 HydrophobicContact CD2-CE1 4.17Å; F24-F60 HydrophobicContact CG-CE1 4.47Å; F24-F60 CarbonylContact O-C 3.56Å; F24-F60 WeakPolarHBondContact O-CA 3.47Å; F24-V61 PolarHBondContact O-N 3.36Å; F24-V280 HydrophobicContact CD1-CB 3.74Å; F24-V280 HydrophobicContact CD1-CG1 4.07Å; F24-V280 HydrophobicContact CD1-CG2 4.08Å; F24-V280 HydrophobicContact CE1-CB 3.93Å; F24-V280 HydrophobicContact CE1-CG1 4.14Å; F24-V280 HydrophobicContact CE1-CG2 3.78Å; F24-V280 HydrophobicContact CZ-CG2 4.49Å |
| 25 | D | 93.5 | Very high | 84 | Confident | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.053 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 141.5 | 154.8 | -165.5 | -14.7 | 0 | 0 | 0 | 108.9 | D27 V29 L30 V61 K252 V280 | D25-D27 PolarHBondContact OD1-N 2.94Å; D25-V29 HydrophobicContact CB-CB 4.18Å; D25-V29 HydrophobicContact CB-CG2 3.82Å; D25-V29 VanDerWaalsContact O-CB 3.31Å; D25-V29 WeakPolarHBondContact O-CB 3.37Å; D25-V29 WeakPolarHBondContact O-CG1 3.45Å; D25-L30 WeakPolarHBondContact O-CG 3.24Å; D25-V61 WeakPolarHBondContact CA-O 3.19Å; D25-K252 IonicContact OD1-NZ 2.65Å; D25-K252 PolarHBondContact OD1-NZ 3.17Å; D25-K252 IonicContact OD2-NZ 3.21Å; D25-K252 PolarHBondContact OD2-NZ 3.25Å; D25-V280 WeakPolarHBondContact CB-O 3.37Å; D25-V280 PolarHBondContact N-O 3.25Å |
| 26 | V | 92.9 | Very high | 86 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | -85.9 | -53.2 | 172.2 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | G28 V29 L30 L31 F60 V61 T62 L76 | V26-G28 PolarHBondContact O-N 3.38Å; V26-V29 PolarHBondContact O-N 3.5Å; V26-L30 PolarHBondContact O-N 3.06Å; V26-L31 HydrophobicContact CG1-CB 4.27Å; V26-L31 HydrophobicContact CG1-CD1 3.73Å; V26-L31 HydrophobicContact CG1-CG 3.88Å; V26-L31 PolarHBondContact O-N 3.16Å; V26-F60 HydrophobicContact CG2-CB 4.1Å; V26-V61 PolarHBondContact N-O 2.95Å; V26-V61 VanDerWaalsContact N-O 3.09Å; V26-T62 HydrophobicContact CG2-CG2 4.37Å; V26-L76 HydrophobicContact CG1-CD2 3.75Å; V26-L76 HydrophobicContact CG2-CD1 4.04Å; V26-L76 HydrophobicContact CG2-CD2 4.32Å | ||
| 27 | D | 87.6 | Confident | 87.6 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 28% | 0.283 | 22% | 0.216 | S | C | . | . | B | Isolated β-bridge | trans | -82.2 | 119.3 | -165.6 | -54.2 | -67.3 | 0 | 0 | 0 | 109.9 | D25 V29 T62 | D25-D27 PolarHBondContact OD1-N 2.94Å; D27-V29 VanDerWaalsContact C-N 3.25Å; D27-V29 PolarHBondContact O-N 3.45Å; D27-T62 WeakPolarHBondContact OD2-CB 3.21Å; D27-T62 PolarHBondContact OD2-OG1 3.07Å |
| 28 | G | 83.4 | Confident | 89.1 | Confident | 22 Ų | 22 | 41.3 Ų | 41.3 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.4 | -8.2 | -175 | 0 | 0 | 0 | 0 | 0 | 115 | V26 L31 I37 | V26-G28 PolarHBondContact O-N 3.38Å; G28-L31 WeakPolarHBondContact CA-O 3.49Å; G28-L31 PolarHBondContact N-O 2.99Å; G28-I37 WeakPolarHBondContact O-CD1 3.36Å |
| 29 | V | 90.8 | Very high | 90.5 | Very high | 30 Ų | 30 | 37 Ų | 37 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.9 | -52.4 | 179.7 | 172 | 0 | 0 | 0 | 0 | 112.2 | D25 V26 D27 I37 V280 | D25-V29 HydrophobicContact CB-CB 4.18Å; D25-V29 HydrophobicContact CB-CG2 3.82Å; D25-V29 VanDerWaalsContact O-CB 3.31Å; D25-V29 WeakPolarHBondContact O-CB 3.37Å; D25-V29 WeakPolarHBondContact O-CG1 3.45Å; V26-V29 PolarHBondContact O-N 3.5Å; D27-V29 VanDerWaalsContact C-N 3.25Å; D27-V29 PolarHBondContact O-N 3.45Å; V29-I37 WeakPolarHBondContact O-CD1 3.45Å; V29-V280 HydrophobicContact CG1-CG1 3.92Å |
| 30 | L | 94 | Very high | 91 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -38.5 | 177.6 | -60.2 | 178.5 | 0 | 0 | 0 | 111.7 | F24 D25 V26 I37 A40 L44 F60 L80 | F24-L30 HydrophobicContact CB-CD1 3.9Å; F24-L30 HydrophobicContact CB-CG 4.5Å; F24-L30 HydrophobicContact CD1-CD2 4.29Å; F24-L30 HydrophobicContact CG-CD1 4.39Å; D25-L30 WeakPolarHBondContact O-CG 3.24Å; V26-L30 PolarHBondContact O-N 3.06Å; L30-I37 PolarHBondContact O-N 3.31Å; L30-A40 HydrophobicContact CB-CB 4.35Å; L30-A40 HydrophobicContact CD2-CB 3.85Å; L30-L44 HydrophobicContact CD2-CD1 4.24Å; L30-F60 HydrophobicContact CD1-CD1 3.51Å; L30-F60 HydrophobicContact CD1-CE1 3.6Å; L30-L80 HydrophobicContact CB-CD2 4.21Å; L30-L80 HydrophobicContact CD1-CD1 4Å |
| 31 | L | 91.2 | Very high | 91.2 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 155.6 | -179.3 | -55.2 | -175.6 | 0 | 0 | 0 | 111.2 | V26 G28 S35 V36 L76 L79 L80 | V26-L31 HydrophobicContact CG1-CB 4.27Å; V26-L31 HydrophobicContact CG1-CD1 3.73Å; V26-L31 HydrophobicContact CG1-CG 3.88Å; V26-L31 PolarHBondContact O-N 3.16Å; G28-L31 WeakPolarHBondContact CA-O 3.49Å; G28-L31 PolarHBondContact N-O 2.99Å; L31-S35 CarbonylContact C-O 3.53Å; L31-S35 VanDerWaalsContact CA-O 3.26Å; L31-S35 WeakPolarHBondContact CA-O 3.27Å; L31-V36 HydrophobicContact CD2-CB 4.31Å; L31-V36 HydrophobicContact CD2-CG2 3.81Å; L31-L76 HydrophobicContact CD1-CD2 3.81Å; L31-L76 HydrophobicContact CG-CD2 4.46Å; L31-L79 HydrophobicContact CD1-CD1 3.82Å; L31-L79 HydrophobicContact CD2-CB 4.35Å; L31-L79 HydrophobicContact CD2-CD1 3.99Å; L31-L80 HydrophobicContact CD2-CD2 4.39Å |
| 32 | R | 86.1 | Confident | 91.1 | Very high | 155 Ų | 155 | 43.8 Ų | 43.8 | 59% | 0.585 | 24% | 0.242 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 115.6 | 164.9 | -179.5 | 180 | -69.4 | -178.1 | -3.1 | 107.6 | G34 S35 I37 | R32-G34 PolarHBondContact O-N 2.85Å; R32-S35 PolarHBondContact N-O 2.72Å; R32-S35 PolarHBondContact O-N 2.88Å; R32-I37 HydrophobicContact CB-CG1 4.42Å |
| 33 | G | 81.6 | Confident | 91 | Very high | 18 Ų | 18 | 45.5 Ų | 45.5 | 19% | 0.186 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | -133.9 | -161.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | S35 M215 | G33-S35 VanDerWaalsContact C-N 3.31Å; G33-S35 PolarHBondContact O-N 3.22Å; G33-M215 PolarHBondContact N-O 2.84Å |
| 34 | G | 83.9 | Confident | 91 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 36% | 0.361 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -3.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | R32 E217 | R32-G34 PolarHBondContact O-N 2.85Å; G34-E217 PolarHBondContact N-OE1 2.98Å |
| 35 | S | 89.8 | Confident | 90.8 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 55% | 0.552 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 141.7 | -168.9 | -66.5 | 0 | 0 | 0 | 0 | 113.7 | L31 R32 G33 | L31-S35 CarbonylContact C-O 3.53Å; L31-S35 VanDerWaalsContact CA-O 3.26Å; L31-S35 WeakPolarHBondContact CA-O 3.27Å; R32-S35 PolarHBondContact N-O 2.72Å; R32-S35 PolarHBondContact O-N 2.88Å; G33-S35 VanDerWaalsContact C-N 3.31Å; G33-S35 PolarHBondContact O-N 3.22Å |
| 36 | V | 94.6 | Very high | 90.8 | Very high | 35 Ų | 35 | 57.9 Ų | 57.9 | 21% | 0.212 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 132.1 | 178.5 | -179.8 | 0 | 0 | 0 | 0 | 111 | L31 A40 R41 L79 L80 | L31-V36 HydrophobicContact CD2-CB 4.31Å; L31-V36 HydrophobicContact CD2-CG2 3.81Å; V36-A40 HydrophobicContact CG1-CB 4.22Å; V36-R41 HydrophobicContact CG1-CG 3.98Å; V36-L79 HydrophobicContact CG2-CB 3.72Å; V36-L79 HydrophobicContact CG2-CD2 4.16Å; V36-L79 HydrophobicContact CG2-CG 4.44Å; V36-L79 VanDerWaalsContact CG2-O 3.24Å; V36-L79 WeakPolarHBondContact CG2-O 3.34Å; V36-L80 HydrophobicContact CG1-CD2 4.14Å |
| 37 | I | 91.6 | Very high | 90.8 | Very high | 39 Ų | 39 | 59.4 Ų | 59.4 | 20% | 0.2 | 32% | 0.315 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 126.5 | 170.4 | -69.6 | 169 | 0 | 0 | 0 | 108.2 | G28 V29 L30 R32 A39 A40 | G28-I37 WeakPolarHBondContact O-CD1 3.36Å; V29-I37 WeakPolarHBondContact O-CD1 3.45Å; L30-I37 PolarHBondContact O-N 3.31Å; R32-I37 HydrophobicContact CB-CG1 4.42Å; I37-A39 PolarHBondContact O-N 2.8Å; I37-A40 HydrophobicContact CB-CB 4.44Å; I37-A40 WeakPolarHBondContact O-CB 3.45Å; I37-A40 PolarHBondContact O-N 3.32Å |
| 38 | P | 89.9 | Confident | 91.1 | Very high | 102 Ų | 102 | 57.7 Ų | 57.7 | 66% | 0.662 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -55.2 | -29.2 | -169.9 | -30.7 | 35.5 | 0 | 0 | 0 | 115.6 | R42 | P38-R42 PolarHBondContact O-NH1 3.43Å; P38-R42 VanDerWaalsContact O-NH1 3.08Å |
| 39 | A | 92.8 | Very high | 91.5 | Very high | 48 Ų | 48 | 59.4 Ų | 59.4 | 40% | 0.397 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -78 | -21.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I37 R42 A43 | I37-A39 PolarHBondContact O-N 2.8Å; A39-R42 PolarHBondContact O-N 3.36Å; A39-A43 PolarHBondContact O-N 3.34Å |
| 40 | A | 95 | Very high | 91.4 | Very high | 5 Ų | 5 | 67.2 Ų | 67.2 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -50.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L30 V36 I37 R42 A43 L44 L80 | L30-A40 HydrophobicContact CB-CB 4.35Å; L30-A40 HydrophobicContact CD2-CB 3.85Å; V36-A40 HydrophobicContact CG1-CB 4.22Å; I37-A40 HydrophobicContact CB-CB 4.44Å; I37-A40 WeakPolarHBondContact O-CB 3.45Å; I37-A40 PolarHBondContact O-N 3.32Å; A40-R42 VanDerWaalsContact C-N 3.32Å; A40-R42 PolarHBondContact O-N 3.09Å; A40-A43 PolarHBondContact O-N 2.67Å; A40-A43 VanDerWaalsContact O-N 3.17Å; A40-L44 WeakPolarHBondContact O-CG 3.31Å; A40-L44 PolarHBondContact O-N 3.35Å; A40-L80 HydrophobicContact CB-CD2 4.06Å |
| 41 | R | 94 | Very high | 91.2 | Very high | 97 Ų | 97 | 73.2 Ų | 73.2 | 37% | 0.366 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.8 | -43.5 | 177 | -65.5 | -172.9 | 176.4 | 169.3 | -4.8 | 112 | V36 A43 L44 R45 L79 | V36-R41 HydrophobicContact CG1-CG 3.98Å; R41-A43 VanDerWaalsContact C-N 3.32Å; R41-A43 PolarHBondContact O-N 2.9Å; R41-L44 PolarHBondContact O-N 2.92Å; R41-R45 WeakPolarHBondContact O-CB 3.36Å; R41-R45 VanDerWaalsContact O-CG 3.24Å; R41-R45 WeakPolarHBondContact O-CG 3.37Å; R41-R45 PolarHBondContact O-N 2.97Å; R41-L79 VanDerWaalsContact CZ-O 3.23Å; R41-L79 PolarHBondContact NE-O 2.85Å; R41-L79 PolarHBondContact NH2-O 3.44Å |
| 42 | R | 93.1 | Very high | 91 | Very high | 152 Ų | 152 | 77 Ų | 77 | 57% | 0.574 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -65.3 | -36.5 | 179.2 | -65.6 | -163.8 | -56.8 | -84.1 | 1.7 | 112 | P38 A39 A40 K46 | P38-R42 PolarHBondContact O-NH1 3.43Å; P38-R42 VanDerWaalsContact O-NH1 3.08Å; A39-R42 PolarHBondContact O-N 3.36Å; A40-R42 VanDerWaalsContact C-N 3.32Å; A40-R42 PolarHBondContact O-N 3.09Å; R42-K46 WeakPolarHBondContact O-CG 3.49Å |
| 43 | A | 94.1 | Very high | 91.2 | Very high | 46 Ų | 46 | 72.7 Ų | 72.7 | 38% | 0.38 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.2 | -52.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A39 A40 R41 R45 K46 | A39-A43 PolarHBondContact O-N 3.34Å; A40-A43 PolarHBondContact O-N 2.67Å; A40-A43 VanDerWaalsContact O-N 3.17Å; R41-A43 VanDerWaalsContact C-N 3.32Å; R41-A43 PolarHBondContact O-N 2.9Å; A43-R45 VanDerWaalsContact C-N 3.35Å; A43-R45 PolarHBondContact O-N 2.88Å; A43-K46 WeakPolarHBondContact O-CB 3.44Å; A43-K46 PolarHBondContact O-N 3.02Å |
| 44 | L | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.6 | -36.5 | -177.5 | -68.1 | 171.4 | 0 | 0 | 0 | 113 | F24 L30 A40 R41 K46 L47 V48 F54 F60 L80 V82 | F24-L44 HydrophobicContact CD2-CD2 4.29Å; F24-L44 HydrophobicContact CE2-CD2 3.96Å; F24-L44 HydrophobicContact CZ-CD2 4.21Å; L30-L44 HydrophobicContact CD2-CD1 4.24Å; A40-L44 WeakPolarHBondContact O-CG 3.31Å; A40-L44 PolarHBondContact O-N 3.35Å; R41-L44 PolarHBondContact O-N 2.92Å; L44-K46 PolarHBondContact O-N 2.95Å; L44-K46 VanDerWaalsContact O-N 3.16Å; L44-L47 HydrophobicContact CD2-CD1 4.34Å; L44-L47 WeakPolarHBondContact O-CA 3.38Å; L44-L47 WeakPolarHBondContact O-CB 3.47Å; L44-L47 PolarHBondContact O-N 3.32Å; L44-V48 PolarHBondContact O-N 3.09Å; L44-F54 HydrophobicContact CD2-CE1 4.4Å; L44-F60 HydrophobicContact CD1-CE1 4.41Å; L44-F60 HydrophobicContact CD2-CE1 4.12Å; L44-F60 HydrophobicContact CD2-CZ 4.24Å; L44-L80 HydrophobicContact CD1-CB 3.81Å; L44-L80 HydrophobicContact CD1-CD1 3.7Å; L44-L80 HydrophobicContact CD1-CD2 3.94Å; L44-L80 HydrophobicContact CD1-CG 4.01Å; L44-V82 HydrophobicContact CB-CG1 4.19Å; L44-V82 HydrophobicContact CD1-CG2 4.24Å |
| 45 | R | 91.9 | Very high | 92.1 | Very high | 126 Ų | 126 | 75.8 Ų | 75.8 | 48% | 0.475 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -59.4 | -25.4 | 174.1 | -77.3 | 176.6 | -173.7 | 165.4 | -0.8 | 113.8 | R41 A43 D81 | R41-R45 WeakPolarHBondContact O-CB 3.36Å; R41-R45 VanDerWaalsContact O-CG 3.24Å; R41-R45 WeakPolarHBondContact O-CG 3.37Å; R41-R45 PolarHBondContact O-N 2.97Å; A43-R45 VanDerWaalsContact C-N 3.35Å; A43-R45 PolarHBondContact O-N 2.88Å; R45-D81 IonicContact CZ-OD2 3.64Å; R45-D81 IonicContact NE-OD2 3.75Å; R45-D81 IonicContact NH2-OD2 2.72Å; R45-D81 PolarHBondContact NH2-OD2 2.83Å |
| 46 | K | 93.2 | Very high | 92.2 | Very high | 167 Ų | 167 | 73.8 Ų | 73.8 | 73% | 0.726 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -78.2 | -11.5 | 174.6 | -65.4 | 177.4 | 177.1 | -171.7 | 0 | 112.9 | R42 A43 L44 | R42-K46 WeakPolarHBondContact O-CG 3.49Å; A43-K46 WeakPolarHBondContact O-CB 3.44Å; A43-K46 PolarHBondContact O-N 3.02Å; L44-K46 PolarHBondContact O-N 2.95Å; L44-K46 VanDerWaalsContact O-N 3.16Å |
| 47 | L | 92.9 | Very high | 92.2 | Very high | 33 Ų | 33 | 72.6 Ų | 72.6 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -105.3 | -0.6 | -175.5 | -48.5 | -176.1 | 0 | 0 | 0 | 112.6 | F24 L44 F54 L55 F56 | F24-L47 HydrophobicContact CE2-CD1 3.8Å; F24-L47 HydrophobicContact CZ-CD1 3.52Å; L44-L47 HydrophobicContact CD2-CD1 4.34Å; L44-L47 WeakPolarHBondContact O-CA 3.38Å; L44-L47 WeakPolarHBondContact O-CB 3.47Å; L44-L47 PolarHBondContact O-N 3.32Å; L47-F54 HydrophobicContact CB-CD1 4.27Å; L47-F54 CarbonylContact O-C 3.58Å; L47-F54 WeakPolarHBondContact O-CA 3.38Å; L47-L55 WeakPolarHBondContact O-CG 3.21Å; L47-L55 PolarHBondContact O-N 2.87Å; L47-F56 HydrophobicContact CB-CE1 4.33Å; L47-F56 HydrophobicContact CB-CE2 4.42Å; L47-F56 HydrophobicContact CB-CZ 3.85Å; L47-F56 HydrophobicContact CD1-CE2 4.08Å; L47-F56 HydrophobicContact CD1-CZ 3.7Å; L47-F56 HydrophobicContact CD2-CE1 3.82Å; L47-F56 HydrophobicContact CD2-CZ 3.42Å; L47-F56 VanDerWaalsContact CD2-CZ 3.42Å; L47-F56 HydrophobicContact CG-CE1 4.48Å; L47-F56 HydrophobicContact CG-CZ 3.8Å |
| 48 | V | 93.5 | Very high | 92.4 | Very high | 16 Ų | 16 | 70.7 Ų | 70.7 | 10% | 0.097 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -114.2 | 150.2 | 177.4 | -60 | 0 | 0 | 0 | 0 | 110.6 | L44 S53 F54 V82 | L44-V48 PolarHBondContact O-N 3.09Å; V48-S53 CarbonylContact C-O 3.5Å; V48-S53 VanDerWaalsContact CA-O 3.26Å; V48-S53 WeakPolarHBondContact CA-O 3.42Å; V48-F54 HydrophobicContact CG1-CD1 3.69Å; V48-F54 HydrophobicContact CG1-CE1 3.75Å; V48-F54 HydrophobicContact CG1-CG 4.19Å; V48-F54 HydrophobicContact CG1-CZ 4.3Å; V48-V82 HydrophobicContact CG1-CG1 4.23Å |
| 49 | D | 92.2 | Very high | 92.8 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 31% | 0.31 | 32% | 0.323 | S | S | . | . | trans | -83.7 | -174.4 | 173.5 | 72.3 | 5.7 | 0 | 0 | 0 | 112.5 | N51 Q52 S53 L55 | D49-N51 PolarHBondContact O-N 2.59Å; D49-N51 VanDerWaalsContact OD1-C 3.29Å; D49-N51 VanDerWaalsContact OD1-CA 3.28Å; D49-N51 WeakPolarHBondContact OD1-CA 3.46Å; D49-N51 WeakPolarHBondContact OD1-CB 3.42Å; D49-N51 PolarHBondContact OD1-N 2.86Å; D49-Q52 PolarHBondContact O-N 2.99Å; D49-Q52 VanDerWaalsContact O-N 3.09Å; D49-Q52 PolarHBondContact OD1-N 2.76Å; D49-S53 PolarHBondContact N-O 2.8Å; D49-S53 PolarHBondContact OD1-N 2.84Å; D49-L55 HydrophobicContact CB-CD2 3.86Å | ||
| 50 | Q | 89.2 | Confident | 93 | Very high | 195 Ų | 195 | 63.6 Ų | 63.6 | 91% | 0.911 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21.9 | 178 | -64.3 | 178.3 | -4 | 0 | 0 | 113.1 | Q52 | Q50-Q52 VanDerWaalsContact C-N 3.35Š|
| 51 | N | 89.4 | Confident | 93.1 | Very high | 130 Ų | 130 | 63.4 Ų | 63.4 | 70% | 0.695 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 13.2 | 178.5 | -58.1 | -41.7 | 0 | 0 | 0 | 112.4 | D49 S53 | D49-N51 PolarHBondContact O-N 2.59Å; D49-N51 VanDerWaalsContact OD1-C 3.29Å; D49-N51 VanDerWaalsContact OD1-CA 3.28Å; D49-N51 WeakPolarHBondContact OD1-CA 3.46Å; D49-N51 WeakPolarHBondContact OD1-CB 3.42Å; D49-N51 PolarHBondContact OD1-N 2.86Å; N51-S53 PolarHBondContact O-N 3.48Å |
| 52 | Q | 88 | Confident | 93.1 | Very high | 81 Ų | 81 | 58.8 Ų | 58.8 | 38% | 0.379 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 61.2 | 19.5 | -176.3 | -61.9 | -67.3 | -61.5 | 0 | 0 | 114.2 | D49 Q50 Q83 | D49-Q52 PolarHBondContact O-N 2.99Å; D49-Q52 VanDerWaalsContact O-N 3.09Å; D49-Q52 PolarHBondContact OD1-N 2.76Å; Q50-Q52 VanDerWaalsContact C-N 3.35Å; Q52-Q83 HydrophobicContact CB-CG 4.42Å |
| 53 | S | 90.6 | Very high | 93.1 | Very high | 65 Ų | 65 | 51.9 Ų | 51.9 | 46% | 0.455 | 26% | 0.26 | S | S | . | . | trans | -92 | 136.5 | 175.9 | -64.4 | 0 | 0 | 0 | 0 | 110.3 | V48 D49 N51 L55 | V48-S53 CarbonylContact C-O 3.5Å; V48-S53 VanDerWaalsContact CA-O 3.26Å; V48-S53 WeakPolarHBondContact CA-O 3.42Å; D49-S53 PolarHBondContact N-O 2.8Å; D49-S53 PolarHBondContact OD1-N 2.84Å; N51-S53 PolarHBondContact O-N 3.48Å; S53-L55 PolarHBondContact O-N 3.47Å | ||
| 54 | F | 92.9 | Very high | 93 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | B | Isolated β-bridge | trans | -63.7 | 136 | 177.3 | -73 | -76.2 | 0 | 0 | 0 | 111.5 | L44 L47 V48 F56 V58 F60 V82 Q83 I84 Q88 | L44-F54 HydrophobicContact CD2-CE1 4.4Å; L47-F54 HydrophobicContact CB-CD1 4.27Å; L47-F54 CarbonylContact O-C 3.58Å; L47-F54 WeakPolarHBondContact O-CA 3.38Å; V48-F54 HydrophobicContact CG1-CD1 3.69Å; V48-F54 HydrophobicContact CG1-CE1 3.75Å; V48-F54 HydrophobicContact CG1-CG 4.19Å; V48-F54 HydrophobicContact CG1-CZ 4.3Å; F54-F56 WeakPolarHBondContact CB-O 3.39Å; F54-F56 PolarHBondContact O-N 2.89Å; F54-V58 HydrophobicContact CB-CG2 4.26Å; F54-V58 HydrophobicContact CD1-CB 4.19Å; F54-V58 HydrophobicContact CD1-CG2 3.7Å; F54-V58 HydrophobicContact CD2-CB 4.47Å; F54-V58 HydrophobicContact CE1-CB 4.44Å; F54-V58 HydrophobicContact CE1-CG1 4.42Å; F54-V58 HydrophobicContact CE1-CG2 4.22Å; F54-V58 HydrophobicContact CG-CB 4.21Å; F54-V58 HydrophobicContact CG-CG2 3.99Å; F54-F60 HydrophobicContact CE1-CZ 4.49Å; F54-F60 HydrophobicContact CE2-CE2 4.33Å; F54-F60 HydrophobicContact CZ-CE2 4.08Å; F54-F60 AromaticContact CZ-CZ 3.83Å; F54-F60 HydrophobicContact CZ-CZ 3.83Å; F54-V82 HydrophobicContact CZ-CG2 4.33Å; F54-Q83 WeakPolarHBondContact CE2-O 3.26Å; F54-I84 HydrophobicContact CE2-CG1 4.44Å; F54-I84 HydrophobicContact CZ-CG1 4.46Å; F54-Q88 VanDerWaalsContact CD2-NE2 3.3Å |
| 55 | L | 91.6 | Very high | 92.8 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 43% | 0.429 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -69.2 | -20.3 | -179.6 | -63.9 | 173.2 | 0 | 0 | 0 | 112.9 | V17 L47 D49 S53 | V17-L55 WeakPolarHBondContact CG1-O 3.38Å; L47-L55 WeakPolarHBondContact O-CG 3.21Å; L47-L55 PolarHBondContact O-N 2.87Å; D49-L55 HydrophobicContact CB-CD2 3.86Å; S53-L55 PolarHBondContact O-N 3.47Å |
| 56 | F | 90.6 | Very high | 92.9 | Very high | 37 Ų | 37 | 48 Ų | 48 | 16% | 0.162 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -146.3 | 163.5 | 178.9 | 43.4 | -101.9 | 0 | 0 | 0 | 110 | V22 L47 F54 V58 | V22-F56 HydrophobicContact CB-CD2 4.19Å; V22-F56 HydrophobicContact CB-CE2 3.72Å; V22-F56 HydrophobicContact CG2-CD2 3.66Å; V22-F56 HydrophobicContact CG2-CE2 3.18Å; V22-F56 HydrophobicContact CG2-CZ 3.82Å; L47-F56 HydrophobicContact CB-CE1 4.33Å; L47-F56 HydrophobicContact CB-CE2 4.42Å; L47-F56 HydrophobicContact CB-CZ 3.85Å; L47-F56 HydrophobicContact CD1-CE2 4.08Å; L47-F56 HydrophobicContact CD1-CZ 3.7Å; L47-F56 HydrophobicContact CD2-CE1 3.82Å; L47-F56 HydrophobicContact CD2-CZ 3.42Å; L47-F56 VanDerWaalsContact CD2-CZ 3.42Å; L47-F56 HydrophobicContact CG-CE1 4.48Å; L47-F56 HydrophobicContact CG-CZ 3.8Å; F54-F56 WeakPolarHBondContact CB-O 3.39Å; F54-F56 PolarHBondContact O-N 2.89Å; F56-V58 HydrophobicContact CD2-CG2 3.55Å; F56-V58 HydrophobicContact CE2-CG2 3.52Å; F56-V58 PolarHBondContact O-N 3.46Å |
| 57 | P | 94.5 | Very high | 93 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | trans | -55.3 | 127.2 | 172.8 | -30 | 39.1 | 0 | 0 | 0 | 112.3 | V20 G21 V22 L265 Q268 N269 L274 | V20-P57 WeakPolarHBondContact O-CD 3.38Å; G21-P57 WeakPolarHBondContact CA-O 3.47Å; V22-P57 PolarHBondContact N-O 2.87Å; P57-L265 VanDerWaalsContact C-CD2 3.47Å; P57-L265 HydrophobicContact CB-CB 4.41Å; P57-L265 HydrophobicContact CB-CD2 3.67Å; P57-L265 WeakPolarHBondContact O-CD2 3.46Å; P57-Q268 HydrophobicContact CB-CB 4.08Å; P57-Q268 HydrophobicContact CG-CB 4.31Å; P57-N269 HydrophobicContact CG-CB 3.6Å; P57-L274 HydrophobicContact CG-CD2 4.29Å | ||
| 58 | V | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 134.1 | 179.2 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | V22 F24 F54 F56 F60 Q88 Q268 | V22-V58 HydrophobicContact CB-CG2 4.49Å; V22-V58 WeakPolarHBondContact O-CA 3.34Å; F24-V58 HydrophobicContact CD2-CG1 3.69Å; F24-V58 HydrophobicContact CE2-CG1 3.93Å; F54-V58 HydrophobicContact CB-CG2 4.26Å; F54-V58 HydrophobicContact CD1-CB 4.19Å; F54-V58 HydrophobicContact CD1-CG2 3.7Å; F54-V58 HydrophobicContact CD2-CB 4.47Å; F54-V58 HydrophobicContact CE1-CB 4.44Å; F54-V58 HydrophobicContact CE1-CG1 4.42Å; F54-V58 HydrophobicContact CE1-CG2 4.22Å; F54-V58 HydrophobicContact CG-CB 4.21Å; F54-V58 HydrophobicContact CG-CG2 3.99Å; F56-V58 HydrophobicContact CD2-CG2 3.55Å; F56-V58 HydrophobicContact CE2-CG2 3.52Å; F56-V58 PolarHBondContact O-N 3.46Å; V58-F60 HydrophobicContact CG1-CD2 4.3Å; V58-F60 HydrophobicContact CG1-CE1 4.43Å; V58-F60 HydrophobicContact CG1-CE2 3.72Å; V58-F60 HydrophobicContact CG1-CZ 3.8Å; V58-Q88 PolarHBondContact O-NE2 2.77Å; V58-Q268 VanDerWaalsContact N-OE1 3.11Å; V58-Q268 PolarHBondContact O-NE2 2.9Å; V58-Q268 PolarHBondContact O-OE1 2.91Å |
| 59 | V | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.8 | 170.3 | 169.7 | 0 | 0 | 0 | 0 | 109.5 | V22 L23 F24 V61 Q88 V90 A261 L264 L265 | V22-V59 PolarHBondContact O-N 3.4Å; L23-V59 CarbonylContact C-O 3.6Å; L23-V59 VanDerWaalsContact CA-O 3.31Å; L23-V59 WeakPolarHBondContact CA-O 3.42Å; L23-V59 HydrophobicContact CD2-CB 3.63Å; L23-V59 HydrophobicContact CD2-CG1 4.06Å; F24-V59 PolarHBondContact N-O 3.41Å; V59-V61 HydrophobicContact CG1-CG2 4.13Å; V59-Q88 CarbonylContact C-O 3.59Å; V59-Q88 VanDerWaalsContact CA-O 3.3Å; V59-Q88 WeakPolarHBondContact CA-O 3.26Å; V59-V90 HydrophobicContact CG1-CB 4.39Å; V59-V90 HydrophobicContact CG1-CG2 3.57Å; V59-A261 HydrophobicContact CG1-CB 4.16Å; V59-L264 HydrophobicContact CG2-CB 3.88Å; V59-L265 HydrophobicContact CB-CD2 4.14Å; V59-L265 HydrophobicContact CB-CG 4.32Å; V59-L265 HydrophobicContact CG2-CD2 3.72Å; V59-L265 HydrophobicContact CG2-CG 3.85Å |
| 60 | F | 97.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.5 | 176.1 | -60.1 | -88.7 | 0 | 0 | 0 | 108.8 | F24 V26 L30 L44 F54 V58 L76 L80 I84 Q88 V89 V90 | F24-F60 HydrophobicContact CB-CD1 3.94Å; F24-F60 HydrophobicContact CB-CE1 4.29Å; F24-F60 HydrophobicContact CD2-CE1 4.17Å; F24-F60 HydrophobicContact CG-CE1 4.47Å; F24-F60 CarbonylContact O-C 3.56Å; F24-F60 WeakPolarHBondContact O-CA 3.47Å; V26-F60 HydrophobicContact CG2-CB 4.1Å; L30-F60 HydrophobicContact CD1-CD1 3.51Å; L30-F60 HydrophobicContact CD1-CE1 3.6Å; L44-F60 HydrophobicContact CD1-CE1 4.41Å; L44-F60 HydrophobicContact CD2-CE1 4.12Å; L44-F60 HydrophobicContact CD2-CZ 4.24Å; F54-F60 HydrophobicContact CE1-CZ 4.49Å; F54-F60 HydrophobicContact CE2-CE2 4.33Å; F54-F60 HydrophobicContact CZ-CE2 4.08Å; F54-F60 AromaticContact CZ-CZ 3.83Å; F54-F60 HydrophobicContact CZ-CZ 3.83Å; V58-F60 HydrophobicContact CG1-CD2 4.3Å; V58-F60 HydrophobicContact CG1-CE1 4.43Å; V58-F60 HydrophobicContact CG1-CE2 3.72Å; V58-F60 HydrophobicContact CG1-CZ 3.8Å; F60-L76 HydrophobicContact CB-CD1 4.1Å; F60-L76 HydrophobicContact CG-CD1 4.37Å; F60-L80 HydrophobicContact CE1-CD1 4.33Å; F60-I84 HydrophobicContact CD2-CD1 4.14Å; F60-I84 HydrophobicContact CD2-CG1 4.36Å; F60-I84 HydrophobicContact CD2-CG2 3.66Å; F60-I84 HydrophobicContact CE1-CD1 4.06Å; F60-I84 HydrophobicContact CE2-CB 4.3Å; F60-I84 HydrophobicContact CE2-CD1 3.61Å; F60-I84 HydrophobicContact CE2-CG1 3.65Å; F60-I84 HydrophobicContact CE2-CG2 3.7Å; F60-I84 HydrophobicContact CZ-CD1 3.57Å; F60-I84 HydrophobicContact CZ-CG1 3.94Å; F60-Q88 HydrophobicContact CD2-CB 4.29Å; F60-Q88 PolarHBondContact N-O 3.09Å; F60-V89 WeakPolarHBondContact O-CA 3.24Å; F60-V90 PolarHBondContact O-N 3.2Å |
| 61 | V | 96.6 | Very high | 94 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 125.3 | -175.9 | -169.4 | 0 | 0 | 0 | 0 | 109.1 | L23 F24 D25 V26 V59 V90 K252 T257 A261 | L23-V61 HydrophobicContact CD2-CG2 4.47Å; F24-V61 PolarHBondContact O-N 3.36Å; D25-V61 WeakPolarHBondContact CA-O 3.19Å; V26-V61 PolarHBondContact N-O 2.95Å; V26-V61 VanDerWaalsContact N-O 3.09Å; V59-V61 HydrophobicContact CG1-CG2 4.13Å; V61-V90 WeakPolarHBondContact CA-O 3.33Å; V61-V90 HydrophobicContact CG1-CB 4.25Å; V61-V90 HydrophobicContact CG1-CG1 4.15Å; V61-V90 HydrophobicContact CG2-CB 4.28Å; V61-K252 HydrophobicContact CB-CD 4.34Å; V61-K252 HydrophobicContact CG1-CD 3.8Å; V61-K252 HydrophobicContact CG1-CG 3.67Å; V61-T257 HydrophobicContact CG1-CG2 3.84Å; V61-A261 HydrophobicContact CG2-CB 4.09Å |
| 62 | T | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -140.8 | 148.7 | -179.9 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | V26 D27 A64 K72 V90 L91 S92 | V26-T62 HydrophobicContact CG2-CG2 4.37Å; D27-T62 WeakPolarHBondContact OD2-CB 3.21Å; D27-T62 PolarHBondContact OD2-OG1 3.07Å; T62-A64 HydrophobicContact CG2-CB 3.97Å; T62-A64 PolarHBondContact O-N 3.01Å; T62-A64 WeakPolarHBondContact OG1-CB 3.5Å; T62-A64 PolarHBondContact OG1-N 3.29Å; T62-A64 VanDerWaalsContact OG1-N 3.15Å; T62-K72 HydrophobicContact CG2-CG 4.45Å; T62-V90 PolarHBondContact N-O 2.87Å; T62-L91 HydrophobicContact CG2-CD2 3.61Å; T62-L91 CarbonylContact O-C 3.41Å; T62-S92 PolarHBondContact O-N 3.1Å; T62-S92 VanDerWaalsContact O-N 3.12Å | ||
| 63 | N | 93.2 | Very high | 94.8 | Very high | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | trans | -84.4 | 8 | 173.6 | -78.8 | -5.5 | 0 | 0 | 0 | 112.8 | G65 S92 N209 D211 G251 K252 | N63-G65 PolarHBondContact O-N 3.44Å; N63-S92 WeakPolarHBondContact O-CB 3.31Å; N63-S92 PolarHBondContact O-OG 2.85Å; N63-N209 PolarHBondContact ND2-OD1 3.26Å; N63-D211 WeakPolarHBondContact CB-OD2 3.46Å; N63-D211 PolarHBondContact ND2-OD1 3.11Å; N63-D211 VanDerWaalsContact ND2-OD1 3.1Å; N63-D211 PolarHBondContact ND2-OD2 3.4Å; N63-G251 VanDerWaalsContact OD1-CA 3.28Å; N63-G251 WeakPolarHBondContact OD1-CA 3.36Å; N63-K252 PolarHBondContact ND2-O 2.93Å; N63-K252 WeakPolarHBondContact OD1-CE 3.45Å; N63-K252 PolarHBondContact OD1-N 3.48Å | ||
| 64 | A | 92.3 | Very high | 95.1 | Very high | 24 Ų | 24 | 31.8 Ų | 31.8 | 20% | 0.198 | 16% | 0.164 | C | C | . | . | trans | -57.2 | 119.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | T62 L91 S92 | T62-A64 HydrophobicContact CG2-CB 3.97Å; T62-A64 PolarHBondContact O-N 3.01Å; T62-A64 WeakPolarHBondContact OG1-CB 3.5Å; T62-A64 PolarHBondContact OG1-N 3.29Å; T62-A64 VanDerWaalsContact OG1-N 3.15Å; A64-L91 HydrophobicContact CB-CD2 4.31Å; A64-L91 WeakPolarHBondContact O-CB 3.41Å; A64-S92 PolarHBondContact O-N 3.25Å; A64-S92 PolarHBondContact O-OG 3.49Å | ||
| 65 | G | 91.8 | Very high | 95.3 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 10% | 0.103 | 17% | 0.174 | C | C | . | . | trans | -109.4 | -10.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N63 S92 H93 | N63-G65 PolarHBondContact O-N 3.44Å; G65-S92 WeakPolarHBondContact CA-OG 3.36Å; G65-S92 PolarHBondContact N-OG 2.93Å; G65-H93 PolarHBondContact O-CE1 3.43Å; G65-H93 PolarHBondContact O-ND1 3.34Å | ||
| 66 | S | 93.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 30 Ų | 30 | 39% | 0.392 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -102.4 | 13.1 | -165.2 | 58.3 | 0 | 0 | 0 | 0 | 115.6 | Q112 G113 | S66-Q112 VanDerWaalsContact CA-O 3.26Å; S66-Q112 WeakPolarHBondContact CA-O 3.29Å; S66-Q112 WeakPolarHBondContact CB-O 3.39Å; S66-G113 WeakPolarHBondContact O-CA 3.45Å |
| 67 | C | 95.7 | Very high | 95.9 | Very high | 28 Ų | 28 | 29 Ų | 29 | 19% | 0.189 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -139.7 | 164.2 | -176.4 | 67.8 | 0 | 0 | 0 | 0 | 112.2 | L91 H93 | C67-L91 WeakPolarHBondContact O-CD1 3.09Å; C67-H93 PolarHBondContact O-CE1 2.85Å |
| 68 | L | 96.9 | Very high | 96 | Very high | 8 Ų | 8 | 36 Ų | 36 | 4% | 0.042 | 18% | 0.183 | C | C | . | . | trans | -79.7 | 147.1 | 172.2 | -61 | 167.2 | 0 | 0 | 0 | 109.9 | H70 H71 K72 P114 Q117 I118 | L68-H70 VanDerWaalsContact C-N 3.27Å; L68-H70 VanDerWaalsContact CB-CE1 3.48Å; L68-H70 WeakPolarHBondContact CB-CE1 3.39Å; L68-H70 WeakPolarHBondContact CD1-CE1 3.48Å; L68-H70 PolarHBondContact O-N 2.82Å; L68-H71 PolarHBondContact O-N 3.45Å; L68-H71 VanDerWaalsContact O-N 3.07Å; L68-K72 PolarHBondContact O-N 2.85Å; L68-K72 VanDerWaalsContact O-N 3.11Å; L68-P114 HydrophobicContact CD1-CG 4.41Å; L68-P114 HydrophobicContact CD2-CG 4.48Å; L68-P114 HydrophobicContact CG-CG 4.14Å; L68-Q117 VanDerWaalsContact CD1-CD 3.49Å; L68-Q117 HydrophobicContact CD1-CG 4.28Å; L68-Q117 HydrophobicContact CD2-CB 4.46Å; L68-Q117 HydrophobicContact CD2-CG 4.09Å; L68-I118 HydrophobicContact CD2-CG1 3.81Å | ||
| 69 | R | 96.2 | Very high | 96 | Very high | 61 Ų | 61 | 37.5 Ų | 37.5 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.2 | -42.9 | -178.9 | -169.7 | -178.6 | -64.2 | 179 | -7.7 | 113.2 | K72 A73 P86 V89 L91 S94 Y260 | R69-K72 PolarHBondContact O-N 2.97Å; R69-A73 WeakPolarHBondContact O-CB 3.35Å; R69-A73 PolarHBondContact O-N 3.3Å; R69-P86 WeakPolarHBondContact CD-O 3.28Å; R69-P86 HydrophobicContact CG-CB 4.33Å; R69-P86 VanDerWaalsContact CG-O 3.25Å; R69-P86 WeakPolarHBondContact CG-O 2.98Å; R69-V89 VanDerWaalsContact CD-O 3.28Å; R69-V89 WeakPolarHBondContact CD-O 3.43Å; R69-V89 HydrophobicContact CG-CB 3.96Å; R69-V89 HydrophobicContact CG-CG1 4.37Å; R69-V89 WeakPolarHBondContact CG-O 3.29Å; R69-V89 PolarHBondContact NE-O 3.14Å; R69-L91 HydrophobicContact CB-CD1 4.32Å; R69-S94 VanDerWaalsContact NH2-CB 3.35Å; R69-S94 PolarHBondContact NH2-OG 3.18Å; R69-S94 VanDerWaalsContact NH2-OG 3.1Å; R69-Y260 PolarHBondContact NH1-OH 3.48Å; R69-Y260 PolarHBondContact NH2-OH 3.12Å |
| 70 | H | 97.3 | Very high | 95.9 | Very high | 73 Ų | 73 | 37.5 Ų | 37.5 | 34% | 0.338 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67 | -38.8 | 180 | 65.7 | -95 | 0 | 0 | 0 | 112.8 | L68 K72 A73 Q74 P86 | L68-H70 VanDerWaalsContact C-N 3.27Å; L68-H70 VanDerWaalsContact CB-CE1 3.48Å; L68-H70 WeakPolarHBondContact CB-CE1 3.39Å; L68-H70 WeakPolarHBondContact CD1-CE1 3.48Å; L68-H70 PolarHBondContact O-N 2.82Å; H70-K72 VanDerWaalsContact C-N 3.33Å; H70-K72 PolarHBondContact O-N 3.5Å; H70-A73 PolarHBondContact O-N 3.46Å; H70-Q74 WeakPolarHBondContact O-CG 3.44Å; H70-Q74 PolarHBondContact O-N 3.46Å; H70-P86 HydrophobicContact CB-CB 4.41Å; H70-P86 HydrophobicContact CB-CG 4Å |
| 71 | H | 97.4 | Very high | 95.8 | Very high | 95 Ų | 95 | 41.5 Ų | 41.5 | 44% | 0.44 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.3 | -41.7 | 174.9 | -69.2 | 153 | 0 | 0 | 0 | 110.9 | L68 Q74 Q75 | L68-H71 PolarHBondContact O-N 3.45Å; L68-H71 VanDerWaalsContact O-N 3.07Å; H71-Q74 PolarHBondContact O-N 3.02Å; H71-Q75 WeakPolarHBondContact O-CB 3.37Å; H71-Q75 PolarHBondContact O-N 2.77Å |
| 72 | K | 97.2 | Very high | 95.7 | Very high | 15 Ų | 15 | 41.6 Ų | 41.6 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65 | -41.9 | 176.4 | -169.3 | 62.3 | 168.9 | -176.8 | 0 | 111.9 | T62 L68 R69 H70 Q75 L76 V89 L91 | T62-K72 HydrophobicContact CG2-CG 4.45Å; L68-K72 PolarHBondContact O-N 2.85Å; L68-K72 VanDerWaalsContact O-N 3.11Å; R69-K72 PolarHBondContact O-N 2.97Å; H70-K72 VanDerWaalsContact C-N 3.33Å; H70-K72 PolarHBondContact O-N 3.5Å; K72-Q75 VanDerWaalsContact CD-OE1 3.31Å; K72-Q75 PolarHBondContact O-N 2.65Å; K72-L76 HydrophobicContact CD-CG 4.44Å; K72-L76 HydrophobicContact CG-CD1 4.16Å; K72-L76 HydrophobicContact CG-CG 4.35Å; K72-L76 WeakPolarHBondContact O-CB 3.29Å; K72-L76 VanDerWaalsContact O-CG 3.29Å; K72-L76 WeakPolarHBondContact O-CG 3.33Å; K72-L76 PolarHBondContact O-N 2.95Å; K72-V89 HydrophobicContact CB-CG1 4.16Å; K72-V89 HydrophobicContact CG-CG1 3.95Å; K72-L91 HydrophobicContact CB-CD2 3.94Å; K72-L91 HydrophobicContact CG-CD2 3.81Å |
| 73 | A | 97.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | R69 H70 L76 S77 I84 P86 V89 | R69-A73 WeakPolarHBondContact O-CB 3.35Å; R69-A73 PolarHBondContact O-N 3.3Å; H70-A73 PolarHBondContact O-N 3.46Å; A73-L76 PolarHBondContact O-N 3.18Å; A73-S77 WeakPolarHBondContact O-CB 3.3Å; A73-S77 PolarHBondContact O-N 3.02Å; A73-S77 PolarHBondContact O-OG 3.41Å; A73-I84 HydrophobicContact CB-CG2 4.4Å; A73-P86 HydrophobicContact CB-CG 4.42Å; A73-V89 HydrophobicContact CB-CG2 3.77Å |
| 74 | Q | 98.1 | Very high | 95.9 | Very high | 123 Ų | 123 | 48.2 Ų | 48.2 | 58% | 0.575 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.3 | -45.5 | 174 | -73.1 | 172.1 | -18.3 | 0 | 0 | 112 | H70 H71 S77 H78 | H70-Q74 WeakPolarHBondContact O-CG 3.44Å; H70-Q74 PolarHBondContact O-N 3.46Å; H71-Q74 PolarHBondContact O-N 3.02Å; Q74-S77 PolarHBondContact O-N 3.22Å; Q74-H78 PolarHBondContact O-N 3.36Å |
| 75 | Q | 96.9 | Very high | 96.1 | Very high | 80 Ų | 80 | 48.9 Ų | 48.9 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58 | -50.9 | 176.2 | -175.7 | -167.4 | 9.6 | 0 | 0 | 110.9 | H71 K72 S77 H78 L79 | H71-Q75 WeakPolarHBondContact O-CB 3.37Å; H71-Q75 PolarHBondContact O-N 2.77Å; K72-Q75 VanDerWaalsContact CD-OE1 3.31Å; K72-Q75 PolarHBondContact O-N 2.65Å; Q75-S77 VanDerWaalsContact C-N 3.32Å; Q75-S77 PolarHBondContact O-N 3.11Å; Q75-H78 PolarHBondContact O-N 2.81Å; Q75-L79 HydrophobicContact CG-CD1 3.89Å; Q75-L79 HydrophobicContact CG-CG 4.47Å; Q75-L79 WeakPolarHBondContact O-CB 3.44Å; Q75-L79 VanDerWaalsContact O-CG 3.31Å; Q75-L79 WeakPolarHBondContact O-CG 3.5Å; Q75-L79 PolarHBondContact O-N 2.85Å |
| 76 | L | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 179.5 | -69.9 | 177.5 | 0 | 0 | 0 | 111.3 | V26 L31 F60 K72 A73 H78 L79 L80 I84 V89 | V26-L76 HydrophobicContact CG1-CD2 3.75Å; V26-L76 HydrophobicContact CG2-CD1 4.04Å; V26-L76 HydrophobicContact CG2-CD2 4.32Å; L31-L76 HydrophobicContact CD1-CD2 3.81Å; L31-L76 HydrophobicContact CG-CD2 4.46Å; F60-L76 HydrophobicContact CB-CD1 4.1Å; F60-L76 HydrophobicContact CG-CD1 4.37Å; K72-L76 HydrophobicContact CD-CG 4.44Å; K72-L76 HydrophobicContact CG-CD1 4.16Å; K72-L76 HydrophobicContact CG-CG 4.35Å; K72-L76 WeakPolarHBondContact O-CB 3.29Å; K72-L76 VanDerWaalsContact O-CG 3.29Å; K72-L76 WeakPolarHBondContact O-CG 3.33Å; K72-L76 PolarHBondContact O-N 2.95Å; A73-L76 PolarHBondContact O-N 3.18Å; L76-H78 PolarHBondContact O-N 3.13Å; L76-L79 PolarHBondContact O-N 3.37Å; L76-L80 HydrophobicContact CB-CD1 4.22Å; L76-L80 HydrophobicContact CD2-CD1 4.22Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 3.36Å; L76-I84 HydrophobicContact CB-CD1 3.62Å; L76-V89 HydrophobicContact CD1-CG2 4.28Å |
| 77 | S | 97 | Very high | 96.4 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 12% | 0.119 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.5 | -48.4 | 178 | -60.1 | 0 | 0 | 0 | 0 | 111.5 | A73 Q74 Q75 D81 V82 I84 | A73-S77 WeakPolarHBondContact O-CB 3.3Å; A73-S77 PolarHBondContact O-N 3.02Å; A73-S77 PolarHBondContact O-OG 3.41Å; Q74-S77 PolarHBondContact O-N 3.22Å; Q75-S77 VanDerWaalsContact C-N 3.32Å; Q75-S77 PolarHBondContact O-N 3.11Å; S77-D81 WeakPolarHBondContact O-CA 3.39Å; S77-D81 PolarHBondContact O-N 3.07Å; S77-V82 CarbonylContact C-O 3.3Å; S77-V82 WeakPolarHBondContact CA-O 3.37Å; S77-V82 VanDerWaalsContact CB-O 3.22Å; S77-V82 WeakPolarHBondContact CB-O 3.38Å; S77-V82 PolarHBondContact O-N 2.75Å; S77-I84 WeakPolarHBondContact OG-CB 3.28Å; S77-I84 PolarHBondContact OG-N 3.49Å; S77-I84 PolarHBondContact OG-O 3.03Å |
| 78 | H | 96.6 | Very high | 96.5 | Very high | 155 Ų | 155 | 53 Ų | 53 | 72% | 0.718 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.4 | -46.1 | 178.4 | -180 | 71.3 | 0 | 0 | 0 | 112.2 | Q74 Q75 L76 | Q74-H78 PolarHBondContact O-N 3.36Å; Q75-H78 PolarHBondContact O-N 2.81Å; L76-H78 PolarHBondContact O-N 3.13Å |
| 79 | L | 95.8 | Very high | 96.5 | Very high | 32 Ų | 32 | 52.6 Ų | 52.6 | 17% | 0.168 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.5 | -41.9 | -178.7 | -72.9 | 177.2 | 0 | 0 | 0 | 112 | L31 V36 R41 Q75 L76 | L31-L79 HydrophobicContact CD1-CD1 3.82Å; L31-L79 HydrophobicContact CD2-CB 4.35Å; L31-L79 HydrophobicContact CD2-CD1 3.99Å; V36-L79 HydrophobicContact CG2-CB 3.72Å; V36-L79 HydrophobicContact CG2-CD2 4.16Å; V36-L79 HydrophobicContact CG2-CG 4.44Å; V36-L79 VanDerWaalsContact CG2-O 3.24Å; V36-L79 WeakPolarHBondContact CG2-O 3.34Å; R41-L79 VanDerWaalsContact CZ-O 3.23Å; R41-L79 PolarHBondContact NE-O 2.85Å; R41-L79 PolarHBondContact NH2-O 3.44Å; Q75-L79 HydrophobicContact CG-CD1 3.89Å; Q75-L79 HydrophobicContact CG-CG 4.47Å; Q75-L79 WeakPolarHBondContact O-CB 3.44Å; Q75-L79 VanDerWaalsContact O-CG 3.31Å; Q75-L79 WeakPolarHBondContact O-CG 3.5Å; Q75-L79 PolarHBondContact O-N 2.85Å; L76-L79 PolarHBondContact O-N 3.37Å |
| 80 | L | 95.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -92.3 | -7.2 | -171.8 | -61.1 | 168.6 | 0 | 0 | 0 | 113.7 | L30 L31 V36 A40 L44 F60 L76 V82 I84 | L30-L80 HydrophobicContact CB-CD2 4.21Å; L30-L80 HydrophobicContact CD1-CD1 4Å; L31-L80 HydrophobicContact CD2-CD2 4.39Å; V36-L80 HydrophobicContact CG1-CD2 4.14Å; A40-L80 HydrophobicContact CB-CD2 4.06Å; L44-L80 HydrophobicContact CD1-CB 3.81Å; L44-L80 HydrophobicContact CD1-CD1 3.7Å; L44-L80 HydrophobicContact CD1-CD2 3.94Å; L44-L80 HydrophobicContact CD1-CG 4.01Å; F60-L80 HydrophobicContact CE1-CD1 4.33Å; L76-L80 HydrophobicContact CB-CD1 4.22Å; L76-L80 HydrophobicContact CD2-CD1 4.22Å; L76-L80 WeakPolarHBondContact O-CB 3.5Å; L76-L80 WeakPolarHBondContact O-CG 3.47Å; L76-L80 PolarHBondContact O-N 3.36Å; L80-V82 VanDerWaalsContact C-N 3.31Å; L80-V82 HydrophobicContact CB-CG2 3.82Å; L80-V82 PolarHBondContact O-N 3.32Å; L80-I84 HydrophobicContact CD1-CD1 3.95Å |
| 81 | D | 94.2 | Very high | 96.6 | Very high | 85 Ų | 85 | 46.2 Ų | 46.2 | 46% | 0.455 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 44.7 | 179 | -170.3 | 42.4 | 0 | 0 | 0 | 111.6 | R45 S77 | R45-D81 IonicContact CZ-OD2 3.64Å; R45-D81 IonicContact NE-OD2 3.75Å; R45-D81 IonicContact NH2-OD2 2.72Å; R45-D81 PolarHBondContact NH2-OD2 2.83Å; S77-D81 WeakPolarHBondContact O-CA 3.39Å; S77-D81 PolarHBondContact O-N 3.07Å |
| 82 | V | 94.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.018 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -146.6 | 152.6 | 176.2 | -69.1 | 0 | 0 | 0 | 0 | 109.3 | L44 V48 F54 S77 L80 I84 | L44-V82 HydrophobicContact CB-CG1 4.19Å; L44-V82 HydrophobicContact CD1-CG2 4.24Å; V48-V82 HydrophobicContact CG1-CG1 4.23Å; F54-V82 HydrophobicContact CZ-CG2 4.33Å; S77-V82 CarbonylContact C-O 3.3Å; S77-V82 WeakPolarHBondContact CA-O 3.37Å; S77-V82 VanDerWaalsContact CB-O 3.22Å; S77-V82 WeakPolarHBondContact CB-O 3.38Å; S77-V82 PolarHBondContact O-N 2.75Å; L80-V82 VanDerWaalsContact C-N 3.31Å; L80-V82 HydrophobicContact CB-CG2 3.82Å; L80-V82 PolarHBondContact O-N 3.32Å; V82-I84 HydrophobicContact CG2-CD1 3.98Å; V82-I84 HydrophobicContact CG2-CG1 4Å |
| 83 | Q | 94.8 | Very high | 96.6 | Very high | 137 Ų | 137 | 41.3 Ų | 41.3 | 64% | 0.64 | 21% | 0.209 | S | C | * | . | trans | -80.3 | 120.6 | 176.7 | -65.6 | -62.8 | -37.5 | 0 | 0 | 110.5 | Q52 F54 | Q52-Q83 HydrophobicContact CB-CG 4.42Å; F54-Q83 WeakPolarHBondContact CE2-O 3.26Å | ||
| 84 | I | 96.6 | Very high | 96.6 | Very high | 10 Ų | 10 | 41.3 Ų | 41.3 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | trans | -121.4 | 116.4 | 178.3 | -59.6 | 170.6 | 0 | 0 | 0 | 108.4 | F54 F60 A73 L76 S77 L80 V82 Q88 V89 | F54-I84 HydrophobicContact CE2-CG1 4.44Å; F54-I84 HydrophobicContact CZ-CG1 4.46Å; F60-I84 HydrophobicContact CD2-CD1 4.14Å; F60-I84 HydrophobicContact CD2-CG1 4.36Å; F60-I84 HydrophobicContact CD2-CG2 3.66Å; F60-I84 HydrophobicContact CE1-CD1 4.06Å; F60-I84 HydrophobicContact CE2-CB 4.3Å; F60-I84 HydrophobicContact CE2-CD1 3.61Å; F60-I84 HydrophobicContact CE2-CG1 3.65Å; F60-I84 HydrophobicContact CE2-CG2 3.7Å; F60-I84 HydrophobicContact CZ-CD1 3.57Å; F60-I84 HydrophobicContact CZ-CG1 3.94Å; A73-I84 HydrophobicContact CB-CG2 4.4Å; L76-I84 HydrophobicContact CB-CD1 3.62Å; S77-I84 WeakPolarHBondContact OG-CB 3.28Å; S77-I84 PolarHBondContact OG-N 3.49Å; S77-I84 PolarHBondContact OG-O 3.03Å; L80-I84 HydrophobicContact CD1-CD1 3.95Å; V82-I84 HydrophobicContact CG2-CD1 3.98Å; V82-I84 HydrophobicContact CG2-CG1 4Å; I84-Q88 HydrophobicContact CG2-CB 4.1Å; I84-V89 HydrophobicContact CG2-CG2 3.83Å | ||
| 85 | A | 96.4 | Very high | 96.6 | Very high | 38 Ų | 38 | 35.4 Ų | 35.4 | 31% | 0.314 | 18% | 0.182 | S | C | . | . | trans | -77.5 | 152.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | E87 Q88 | A85-E87 WeakPolarHBondContact CB-OE2 3.45Å; A85-E87 PolarHBondContact O-N 3.17Å; A85-Q88 HydrophobicContact CB-CG 4.23Å; A85-Q88 WeakPolarHBondContact O-CB 3.45Å; A85-Q88 PolarHBondContact O-N 3.31Å | ||
| 86 | P | 96.8 | Very high | 96.6 | Very high | 44 Ų | 44 | 31.6 Ų | 31.6 | 29% | 0.286 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -52.2 | -39.6 | 176.2 | -26.5 | 35.3 | 0 | 0 | 0 | 113.1 | R69 H70 A73 Q88 V89 | R69-P86 WeakPolarHBondContact CD-O 3.28Å; R69-P86 HydrophobicContact CG-CB 4.33Å; R69-P86 VanDerWaalsContact CG-O 3.25Å; R69-P86 WeakPolarHBondContact CG-O 2.98Å; H70-P86 HydrophobicContact CB-CB 4.41Å; H70-P86 HydrophobicContact CB-CG 4Å; A73-P86 HydrophobicContact CB-CG 4.42Å; P86-Q88 PolarHBondContact O-N 3.3Å; P86-Q88 VanDerWaalsContact O-N 3.08Å; P86-V89 PolarHBondContact O-N 3.15Å |
| 87 | E | 95.6 | Very high | 96.6 | Very high | 114 Ų | 114 | 36 Ų | 36 | 53% | 0.533 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -65.8 | -12 | -179.4 | -58.3 | 68.4 | -144.7 | 0 | 0 | 113 | A85 | A85-E87 WeakPolarHBondContact CB-OE2 3.45Å; A85-E87 PolarHBondContact O-N 3.17Å |
| 88 | Q | 97.1 | Very high | 96.5 | Very high | 22 Ų | 22 | 38 Ų | 38 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -92.2 | 2.7 | 173.9 | -55.5 | -176.3 | -90.9 | 0 | 0 | 112.4 | F54 V58 V59 F60 I84 A85 P86 | F54-Q88 VanDerWaalsContact CD2-NE2 3.3Å; V58-Q88 PolarHBondContact O-NE2 2.77Å; V59-Q88 CarbonylContact C-O 3.59Å; V59-Q88 VanDerWaalsContact CA-O 3.3Å; V59-Q88 WeakPolarHBondContact CA-O 3.26Å; F60-Q88 HydrophobicContact CD2-CB 4.29Å; F60-Q88 PolarHBondContact N-O 3.09Å; I84-Q88 HydrophobicContact CG2-CB 4.1Å; A85-Q88 HydrophobicContact CB-CG 4.23Å; A85-Q88 WeakPolarHBondContact O-CB 3.45Å; A85-Q88 PolarHBondContact O-N 3.31Å; P86-Q88 PolarHBondContact O-N 3.3Å; P86-Q88 VanDerWaalsContact O-N 3.08Å |
| 89 | V | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 125.2 | -176.5 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | F60 R69 K72 A73 L76 I84 P86 L91 | F60-V89 WeakPolarHBondContact O-CA 3.24Å; R69-V89 VanDerWaalsContact CD-O 3.28Å; R69-V89 WeakPolarHBondContact CD-O 3.43Å; R69-V89 HydrophobicContact CG-CB 3.96Å; R69-V89 HydrophobicContact CG-CG1 4.37Å; R69-V89 WeakPolarHBondContact CG-O 3.29Å; R69-V89 PolarHBondContact NE-O 3.14Å; K72-V89 HydrophobicContact CB-CG1 4.16Å; K72-V89 HydrophobicContact CG-CG1 3.95Å; A73-V89 HydrophobicContact CB-CG2 3.77Å; L76-V89 HydrophobicContact CD1-CG2 4.28Å; I84-V89 HydrophobicContact CG2-CG2 3.83Å; P86-V89 PolarHBondContact O-N 3.15Å; V89-L91 HydrophobicContact CG1-CD2 3.97Å; V89-L91 HydrophobicContact CG1-CG 4.32Å |
| 90 | V | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 112.5 | 170.8 | 177.9 | 0 | 0 | 0 | 0 | 108.7 | V59 F60 V61 T62 T257 Y260 A261 L264 | V59-V90 HydrophobicContact CG1-CB 4.39Å; V59-V90 HydrophobicContact CG1-CG2 3.57Å; F60-V90 PolarHBondContact O-N 3.2Å; V61-V90 WeakPolarHBondContact CA-O 3.33Å; V61-V90 HydrophobicContact CG1-CB 4.25Å; V61-V90 HydrophobicContact CG1-CG1 4.15Å; V61-V90 HydrophobicContact CG2-CB 4.28Å; T62-V90 PolarHBondContact N-O 2.87Å; V90-T257 HydrophobicContact CG1-CG2 3.98Å; V90-Y260 HydrophobicContact CG1-CD1 4.08Å; V90-Y260 HydrophobicContact CG2-CD1 3.91Å; V90-Y260 HydrophobicContact CG2-CE1 4.2Å; V90-A261 HydrophobicContact CG2-CB 4.04Å; V90-L264 HydrophobicContact CG2-CD1 3.5Å |
| 91 | L | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -87.6 | 163.5 | 169.1 | -59.3 | -179.1 | 0 | 0 | 0 | 110.1 | T62 A64 C67 R69 K72 V89 H93 S94 | T62-L91 HydrophobicContact CG2-CD2 3.61Å; T62-L91 CarbonylContact O-C 3.41Å; A64-L91 HydrophobicContact CB-CD2 4.31Å; A64-L91 WeakPolarHBondContact O-CB 3.41Å; C67-L91 WeakPolarHBondContact O-CD1 3.09Å; R69-L91 HydrophobicContact CB-CD1 4.32Å; K72-L91 HydrophobicContact CB-CD2 3.94Å; K72-L91 HydrophobicContact CG-CD2 3.81Å; V89-L91 HydrophobicContact CG1-CD2 3.97Å; V89-L91 HydrophobicContact CG1-CG 4.32Å; L91-H93 VanDerWaalsContact CD1-CE1 3.48Å; L91-H93 WeakPolarHBondContact CD1-CE1 3.46Å; L91-H93 WeakPolarHBondContact CD1-NE2 3.44Å; L91-H93 PolarHBondContact O-N 3.37Å; L91-H93 VanDerWaalsContact O-N 3.13Å; L91-S94 PolarHBondContact N-OG 2.93Å; L91-S94 VanDerWaalsContact O-CB 3.25Å; L91-S94 WeakPolarHBondContact O-CB 3.33Å; L91-S94 PolarHBondContact O-N 2.94Å; L91-S94 PolarHBondContact O-OG 2.95Å | ||
| 92 | S | 96.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | -42.2 | 178.8 | 48.4 | 0 | 0 | 0 | 0 | 113.2 | T62 N63 A64 G65 P95 C208 | T62-S92 PolarHBondContact O-N 3.1Å; T62-S92 VanDerWaalsContact O-N 3.12Å; N63-S92 WeakPolarHBondContact O-CB 3.31Å; N63-S92 PolarHBondContact O-OG 2.85Å; A64-S92 PolarHBondContact O-N 3.25Å; A64-S92 PolarHBondContact O-OG 3.49Å; G65-S92 WeakPolarHBondContact CA-OG 3.36Å; G65-S92 PolarHBondContact N-OG 2.93Å; S92-P95 WeakPolarHBondContact O-CD 3.22Å; S92-C208 WeakPolarHBondContact CB-O 3.49Å |
| 93 | H | 97.3 | Very high | 97 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.028 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -7.4 | -178.5 | 58.6 | -108.9 | 0 | 0 | 0 | 114.8 | G65 C67 L91 P95 L96 L122 F168 C208 | G65-H93 PolarHBondContact O-CE1 3.43Å; G65-H93 PolarHBondContact O-ND1 3.34Å; C67-H93 PolarHBondContact O-CE1 2.85Å; L91-H93 VanDerWaalsContact CD1-CE1 3.48Å; L91-H93 WeakPolarHBondContact CD1-CE1 3.46Å; L91-H93 WeakPolarHBondContact CD1-NE2 3.44Å; L91-H93 PolarHBondContact O-N 3.37Å; L91-H93 VanDerWaalsContact O-N 3.13Å; H93-P95 VanDerWaalsContact C-N 3.35Å; H93-L96 HydrophobicContact CB-CD1 4.14Å; H93-L96 VanDerWaalsContact O-CB 3.31Å; H93-L96 WeakPolarHBondContact O-CB 3.36Å; H93-L96 WeakPolarHBondContact O-CG 3.5Å; H93-L96 PolarHBondContact O-N 2.84Å; H93-L96 VanDerWaalsContact O-N 3.15Å; H93-L122 HydrophobicContact CB-CD1 4.28Å; H93-F168 HydrophobicContact CB-CD1 3.51Å; H93-F168 HydrophobicContact CB-CE1 3.79Å; H93-C208 HydrophobicContact CB-CB 4.29Å |
| 94 | S | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -56.8 | -37.6 | -176.5 | -73 | 0 | 0 | 0 | 0 | 114.9 | R69 L91 L96 H97 | R69-S94 VanDerWaalsContact NH2-CB 3.35Å; R69-S94 PolarHBondContact NH2-OG 3.18Å; R69-S94 VanDerWaalsContact NH2-OG 3.1Å; L91-S94 PolarHBondContact N-OG 2.93Å; L91-S94 VanDerWaalsContact O-CB 3.25Å; L91-S94 WeakPolarHBondContact O-CB 3.33Å; L91-S94 PolarHBondContact O-N 2.94Å; L91-S94 PolarHBondContact O-OG 2.95Å; S94-L96 PolarHBondContact O-N 2.9Å; S94-H97 WeakPolarHBondContact O-CB 3.37Å; S94-H97 PolarHBondContact O-N 2.8Å |
| 95 | P | 97.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -64.9 | -18.8 | 179.5 | -23.1 | 35.2 | 0 | 0 | 0 | 114.6 | S92 H93 H97 M98 L250 F256 Y260 | S92-P95 WeakPolarHBondContact O-CD 3.22Å; H93-P95 VanDerWaalsContact C-N 3.35Å; P95-H97 PolarHBondContact O-N 2.73Å; P95-M98 HydrophobicContact CB-CE 4.36Å; P95-M98 PolarHBondContact O-N 3.17Å; P95-L250 HydrophobicContact CB-CD1 4.42Å; P95-L250 HydrophobicContact CB-CD2 4.39Å; P95-F256 HydrophobicContact CB-CD1 3.36Å; P95-F256 HydrophobicContact CB-CE1 3.55Å; P95-F256 HydrophobicContact CG-CD1 4.41Å; P95-F256 WeakPolarHBondContact O-CE1 3.11Å; P95-Y260 HydrophobicContact CB-CG 4.43Å; P95-Y260 HydrophobicContact CG-CD1 4.5Å; P95-Y260 HydrophobicContact CG-CG 4.4Å |
| 96 | L | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -57.8 | -20.3 | 174.5 | -68.5 | 171.6 | 0 | 0 | 0 | 112.9 | H93 S94 M98 M99 H103 L122 F124 I166 F168 L206 L250 | H93-L96 HydrophobicContact CB-CD1 4.14Å; H93-L96 VanDerWaalsContact O-CB 3.31Å; H93-L96 WeakPolarHBondContact O-CB 3.36Å; H93-L96 WeakPolarHBondContact O-CG 3.5Å; H93-L96 PolarHBondContact O-N 2.84Å; H93-L96 VanDerWaalsContact O-N 3.15Å; S94-L96 PolarHBondContact O-N 2.9Å; L96-M98 PolarHBondContact O-N 2.62Å; L96-M99 HydrophobicContact CD2-SD 3.75Å; L96-M99 WeakPolarHBondContact O-CB 3.26Å; L96-M99 PolarHBondContact O-N 3.19Å; L96-H103 PolarHBondContact O-NE2 2.87Å; L96-H103 VanDerWaalsContact O-NE2 3.07Å; L96-L122 HydrophobicContact CB-CD1 4.11Å; L96-L122 HydrophobicContact CD1-CD1 3.98Å; L96-F124 HydrophobicContact CB-CE2 3.93Å; L96-F124 HydrophobicContact CB-CZ 4.27Å; L96-F124 HydrophobicContact CD1-CE2 4.26Å; L96-F124 HydrophobicContact CD2-CZ 4.31Å; L96-I166 HydrophobicContact CD1-CG2 3.73Å; L96-F168 HydrophobicContact CD1-CD1 4.25Å; L96-F168 HydrophobicContact CD1-CE1 3.62Å; L96-L206 HydrophobicContact CD2-CB 4.25Å; L96-L206 HydrophobicContact CD2-CD1 3.75Å; L96-L250 HydrophobicContact CD1-CD1 4.48Å; L96-L250 HydrophobicContact CD2-CD1 3.51Å; L96-L250 HydrophobicContact CG-CD1 3.52Å |
| 97 | H | 96.6 | Very high | 97.4 | Very high | 92 Ų | 92 | 36 Ų | 36 | 43% | 0.426 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -57.2 | -30.9 | 172.2 | -173.2 | 61.9 | 0 | 0 | 0 | 112.9 | S94 P95 M99 H103 L122 Y260 | S94-H97 WeakPolarHBondContact O-CB 3.37Å; S94-H97 PolarHBondContact O-N 2.8Å; P95-H97 PolarHBondContact O-N 2.73Å; H97-M99 VanDerWaalsContact C-N 3.3Å; H97-H103 PolarHBondContact O-CE1 3.44Å; H97-H103 VanDerWaalsContact O-CE1 3.3Å; H97-L122 HydrophobicContact CB-CD2 4.21Å; H97-L122 PolarHBondContact ND1-O 3.37Å; H97-Y260 HydrophobicContact CB-CE2 4.38Å |
| 98 | M | 96 | Very high | 97.6 | Very high | 58 Ų | 58 | 30.6 Ų | 30.6 | 29% | 0.286 | 15% | 0.154 | S | C | . | . | G | 310 helix | trans | -83 | -4.5 | 177.8 | -59.8 | -171.7 | -62.5 | 0 | 0 | 113.4 | P95 L96 E100 F256 Y260 Q263 | P95-M98 HydrophobicContact CB-CE 4.36Å; P95-M98 PolarHBondContact O-N 3.17Å; L96-M98 PolarHBondContact O-N 2.62Å; M98-E100 VanDerWaalsContact C-N 3.33Å; M98-E100 PolarHBondContact O-N 3.15Å; M98-F256 HydrophobicContact CB-CZ 4.1Å; M98-F256 HydrophobicContact CE-CD1 4Å; M98-F256 HydrophobicContact CE-CD2 4.42Å; M98-F256 HydrophobicContact CE-CE1 3.54Å; M98-F256 HydrophobicContact CE-CE2 3.99Å; M98-F256 HydrophobicContact CE-CG 4.44Å; M98-F256 HydrophobicContact CE-CZ 3.54Å; M98-Y260 HydrophobicContact CE-CD2 3.84Å; M98-Y260 HydrophobicContact CE-CG 4.24Å; M98-Y260 HydrophobicContact CG-CD2 3.81Å; M98-Y260 HydrophobicContact CG-CE2 4.17Å; M98-Y260 HydrophobicContact SD-CD2 3.68Å; M98-Q263 PolarHBondContact SD-OE1 3.31Å |
| 99 | M | 96.4 | Very high | 97.7 | Very high | 23 Ų | 23 | 29.6 Ų | 29.6 | 11% | 0.113 | 15% | 0.149 | C | C | . | . | trans | -95.4 | 55 | -173.9 | -60.8 | -170 | 71.2 | 0 | 0 | 112 | L96 H97 T101 F102 H103 L206 A248 F256 | L96-M99 HydrophobicContact CD2-SD 3.75Å; L96-M99 WeakPolarHBondContact O-CB 3.26Å; L96-M99 PolarHBondContact O-N 3.19Å; H97-M99 VanDerWaalsContact C-N 3.3Å; M99-T101 PolarHBondContact O-N 2.96Å; M99-T101 VanDerWaalsContact O-N 3.09Å; M99-F102 HydrophobicContact CB-CD2 4.27Å; M99-F102 HydrophobicContact CE-CD2 3.83Å; M99-F102 HydrophobicContact CE-CE2 3.74Å; M99-F102 PolarHBondContact O-N 3.19Å; M99-H103 PolarHBondContact O-CD2 2.85Å; M99-H103 VanDerWaalsContact O-CD2 3.26Å; M99-H103 PolarHBondContact O-NE2 3.38Å; M99-L206 HydrophobicContact CE-CD1 4.23Å; M99-L206 HydrophobicContact CE-CD2 3.67Å; M99-L206 HydrophobicContact SD-CD1 4.37Å; M99-L206 HydrophobicContact SD-CD2 4.39Å; M99-A248 HydrophobicContact CE-CB 3.92Å; M99-A248 HydrophobicContact SD-CB 4.18Å; M99-F256 HydrophobicContact CG-CE1 4.18Å; M99-F256 HydrophobicContact CG-CZ 4.1Å; M99-F256 HydrophobicContact SD-CE1 4.45Å | ||
| 100 | E | 97.2 | Very high | 97.7 | Very high | 144 Ų | 144 | 29.6 Ų | 29.6 | 67% | 0.673 | 15% | 0.149 | S | C | * | . | H | α-helix | trans | -56.3 | -29.9 | -173.8 | -62.8 | -178.9 | -175.6 | 0 | 0 | 113.7 | M98 F102 H103 | M98-E100 VanDerWaalsContact C-N 3.33Å; M98-E100 PolarHBondContact O-N 3.15Å; E100-F102 PolarHBondContact O-N 3.47Å; E100-F102 VanDerWaalsContact O-N 3.1Å; E100-H103 PolarHBondContact O-N 3.46Å; E100-H103 VanDerWaalsContact O-N 3.1Å |
| 101 | T | 97.4 | Very high | 97.6 | Very high | 110 Ų | 110 | 30.5 Ų | 30.5 | 68% | 0.675 | 16% | 0.158 | S | C | * | . | H | α-helix | trans | -61.7 | -18.3 | 176.8 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | M99 K105 | M99-T101 PolarHBondContact O-N 2.96Å; M99-T101 VanDerWaalsContact O-N 3.09Å; T101-K105 WeakPolarHBondContact O-CE 3.28Å |
| 102 | F | 98.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 33.7 Ų | 33.7 | 4% | 0.035 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -100 | -16.2 | 176.2 | -70.4 | -90.5 | 0 | 0 | 0 | 114 | M99 E100 N104 K105 F124 A164 P204 L206 E247 | M99-F102 HydrophobicContact CB-CD2 4.27Å; M99-F102 HydrophobicContact CE-CD2 3.83Å; M99-F102 HydrophobicContact CE-CE2 3.74Å; M99-F102 PolarHBondContact O-N 3.19Å; E100-F102 PolarHBondContact O-N 3.47Å; E100-F102 VanDerWaalsContact O-N 3.1Å; F102-N104 VanDerWaalsContact C-N 3.27Å; F102-N104 PolarHBondContact O-N 3.38Å; F102-K105 HydrophobicContact CD1-CD 3.7Å; F102-K105 HydrophobicContact CE1-CD 4.15Å; F102-K105 VanDerWaalsContact CE1-NZ 3.27Å; F102-K105 HydrophobicContact CG-CD 4.41Å; F102-K105 WeakPolarHBondContact O-CB 3.33Å; F102-K105 PolarHBondContact O-N 3Å; F102-F124 HydrophobicContact CB-CE1 3.74Å; F102-F124 HydrophobicContact CB-CZ 4.4Å; F102-A164 HydrophobicContact CD1-CB 3.84Å; F102-A164 HydrophobicContact CE1-CB 4Å; F102-P204 HydrophobicContact CE1-CB 3.63Å; F102-P204 HydrophobicContact CE1-CG 3.97Å; F102-P204 HydrophobicContact CZ-CB 4.06Å; F102-P204 HydrophobicContact CZ-CG 4.36Å; F102-L206 HydrophobicContact CD1-CD1 4.26Å; F102-L206 HydrophobicContact CG-CD1 4.22Å; F102-E247 HydrophobicContact CE2-CG 4.32Å; F102-E247 HydrophobicContact CZ-CG 3.79Å |
| 103 | H | 98.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 11% | 0.106 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -30.7 | -170.2 | -71.5 | -179.9 | 0 | 0 | 0 | 114.1 | L96 H97 M99 E100 L122 G123 Q125 | L96-H103 PolarHBondContact O-NE2 2.87Å; L96-H103 VanDerWaalsContact O-NE2 3.07Å; H97-H103 PolarHBondContact O-CE1 3.44Å; H97-H103 VanDerWaalsContact O-CE1 3.3Å; M99-H103 PolarHBondContact O-CD2 2.85Å; M99-H103 VanDerWaalsContact O-CD2 3.26Å; M99-H103 PolarHBondContact O-NE2 3.38Å; E100-H103 PolarHBondContact O-N 3.46Å; E100-H103 VanDerWaalsContact O-N 3.1Å; H103-L122 PolarHBondContact CE1-O 3.3Å; H103-L122 VanDerWaalsContact CE1-O 3.26Å; H103-L122 PolarHBondContact NE2-O 3.43Å; H103-G123 WeakPolarHBondContact CB-O 3.39Å; H103-Q125 PolarHBondContact O-N 2.9Å |
| 104 | N | 98.1 | Very high | 97.5 | Very high | 93 Ų | 93 | 38.2 Ų | 38.2 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -8.2 | 178.2 | -69.2 | -35 | 0 | 0 | 0 | 114.2 | F102 Q125 K126 | F102-N104 VanDerWaalsContact C-N 3.27Å; F102-N104 PolarHBondContact O-N 3.38Å; N104-Q125 PolarHBondContact OD1-NE2 3.4Å; N104-Q125 PolarHBondContact OD1-OE1 3Å; N104-K126 PolarHBondContact O-NZ 2.92Å |
| 105 | K | 98.2 | Very high | 97.5 | Very high | 60 Ų | 60 | 38.9 Ų | 38.9 | 26% | 0.261 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -76.9 | 149.5 | 178.8 | -66.7 | -175.1 | -174.6 | 174.3 | 0 | 110.1 | T101 F102 V107 Q163 | T101-K105 WeakPolarHBondContact O-CE 3.28Å; F102-K105 HydrophobicContact CD1-CD 3.7Å; F102-K105 HydrophobicContact CE1-CD 4.15Å; F102-K105 VanDerWaalsContact CE1-NZ 3.27Å; F102-K105 HydrophobicContact CG-CD 4.41Å; F102-K105 WeakPolarHBondContact O-CB 3.33Å; F102-K105 PolarHBondContact O-N 3Å; K105-V107 HydrophobicContact CB-CG1 4.47Å; K105-V107 PolarHBondContact O-N 2.72Å; K105-Q163 HydrophobicContact CB-CB 4.02Å; K105-Q163 HydrophobicContact CD-CB 4.3Å; K105-Q163 HydrophobicContact CG-CB 4.36Å |
| 106 | C | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 119 | 165.8 | -179.8 | 0 | 0 | 0 | 0 | 109.5 | K126 P160 Q161 Q163 A164 | C106-K126 WeakPolarHBondContact CA-O 3.42Å; C106-K126 HydrophobicContact CB-CB 4.2Å; C106-P160 HydrophobicContact CB-CG 4.32Å; C106-P160 VanDerWaalsContact SG-CG 3.59Å; C106-Q161 WeakPolarHBondContact CB-O 3.36Å; C106-Q163 PolarHBondContact O-N 3.04Å; C106-A164 PolarHBondContact O-N 3.39Å |
| 107 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.8 | -178 | -60.7 | 0 | 0 | 0 | 0 | 111.2 | K105 V109 F124 K126 V127 V128 A164 I166 | K105-V107 HydrophobicContact CB-CG1 4.47Å; K105-V107 PolarHBondContact O-N 2.72Å; V107-V109 HydrophobicContact CG2-CG1 4.05Å; V107-F124 HydrophobicContact CB-CD1 4.47Å; V107-F124 HydrophobicContact CG1-CD1 3.79Å; V107-F124 HydrophobicContact CG1-CE1 3.98Å; V107-F124 HydrophobicContact CG2-CB 4.28Å; V107-F124 HydrophobicContact CG2-CD1 3.87Å; V107-F124 HydrophobicContact CG2-CG 4.26Å; V107-K126 PolarHBondContact N-O 2.82Å; V107-V127 HydrophobicContact CG2-CG2 4.22Å; V107-V128 PolarHBondContact O-N 3.4Å; V107-A164 VanDerWaalsContact CA-O 3.32Å; V107-A164 WeakPolarHBondContact CA-O 3.42Å; V107-A164 HydrophobicContact CG1-CB 4.18Å; V107-I166 HydrophobicContact CB-CD1 3.96Å; V107-I166 HydrophobicContact CB-CG1 4.15Å; V107-I166 HydrophobicContact CG1-CD1 4.12Å; V107-I166 HydrophobicContact CG1-CG1 4.41Å; V107-I166 HydrophobicContact CG2-CD1 3.84Å |
| 108 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129 | 164 | 178.7 | 69.4 | 0 | 0 | 0 | 108.2 | V128 M130 L133 I162 A164 I165 I166 I181 V184 | L108-V128 WeakPolarHBondContact CA-O 3.45Å; L108-V128 HydrophobicContact CD1-CB 4.44Å; L108-V128 HydrophobicContact CD1-CG1 4.05Å; L108-M130 HydrophobicContact CD1-SD 3.81Å; L108-M130 HydrophobicContact CD2-SD 3.88Å; L108-M130 HydrophobicContact CG-SD 3.89Å; L108-L133 HydrophobicContact CD1-CB 4.29Å; L108-L133 HydrophobicContact CD1-CD2 3.96Å; L108-L133 HydrophobicContact CD2-CD2 4.09Å; L108-I162 HydrophobicContact CB-CD1 4.15Å; L108-I162 HydrophobicContact CB-CG1 4.4Å; L108-I162 HydrophobicContact CB-CG2 3.76Å; L108-I162 HydrophobicContact CD1-CD1 4.44Å; L108-A164 PolarHBondContact N-O 2.85Å; L108-I165 HydrophobicContact CB-CG1 4.46Å; L108-I165 CarbonylContact O-C 3.57Å; L108-I165 WeakPolarHBondContact O-CA 3.35Å; L108-I166 PolarHBondContact O-N 2.75Å; L108-I181 HydrophobicContact CD2-CG1 4.44Å; L108-V184 HydrophobicContact CD2-CB 4.33Å; L108-V184 HydrophobicContact CD2-CG1 4.2Å; L108-V184 HydrophobicContact CD2-CG2 4.06Å |
| 109 | V | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 133 | 179 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | V107 V115 A119 V127 V128 T129 M130 I166 F168 | V107-V109 HydrophobicContact CG2-CG1 4.05Å; V109-V115 HydrophobicContact CG2-CB 4.08Å; V109-V115 HydrophobicContact CG2-CG2 3.82Å; V109-A119 HydrophobicContact CG1-CB 4.3Å; V109-V127 HydrophobicContact CB-CG1 4.32Å; V109-V127 HydrophobicContact CG1-CG1 3.77Å; V109-V127 HydrophobicContact CG2-CG1 3.52Å; V109-V128 PolarHBondContact N-O 2.79Å; V109-T129 HydrophobicContact CG2-CG2 4.3Å; V109-M130 WeakPolarHBondContact O-CG 3.28Å; V109-I166 WeakPolarHBondContact CA-O 3.35Å; V109-I166 HydrophobicContact CG1-CB 4.25Å; V109-I166 HydrophobicContact CG1-CD1 4.34Å; V109-F168 HydrophobicContact CB-CD2 4.19Å; V109-F168 HydrophobicContact CB-CE2 3.8Å; V109-F168 HydrophobicContact CG1-CE2 3.75Å; V109-F168 HydrophobicContact CG1-CZ 4.37Å |
| 110 | S | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.007 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 139.1 | 174 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | I166 F168 N177 | S110-I166 PolarHBondContact N-O 2.91Å; S110-F168 PolarHBondContact O-N 2.69Å; S110-N177 PolarHBondContact OG-OD1 3.15Å |
| 111 | G | 97.1 | Very high | 97.9 | Very high | 18 Ų | 18 | 40.1 Ų | 40.1 | 19% | 0.186 | 23% | 0.231 | C | C | . | . | S | Bend | trans | 154 | -164.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G169 | G111-G169 WeakPolarHBondContact CA-O 3.31Š|
| 112 | Q | 95.6 | Very high | 97.9 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 31% | 0.313 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -113.4 | 162 | 177.7 | -76 | 178.6 | 65.2 | 0 | 0 | 111.9 | S66 E170 I172 | S66-Q112 VanDerWaalsContact CA-O 3.26Å; S66-Q112 WeakPolarHBondContact CA-O 3.29Å; S66-Q112 WeakPolarHBondContact CB-O 3.39Å; Q112-E170 WeakPolarHBondContact CG-O 3.35Å; Q112-E170 PolarHBondContact NE2-O 2.96Å; Q112-I172 HydrophobicContact CG-CD1 4.42Å; Q112-I172 HydrophobicContact CG-CG1 4.06Å |
| 113 | G | 95.8 | Very high | 97.9 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 82.8 | -162.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S66 V115 | S66-G113 WeakPolarHBondContact O-CA 3.45Å; G113-V115 PolarHBondContact O-N 3.2Å |
| 114 | P | 97.2 | Very high | 97.9 | Very high | 51 Ų | 51 | 35.1 Ų | 35.1 | 33% | 0.331 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -79.4 | 64.4 | -175.8 | 34.8 | -36.5 | 0 | 0 | 0 | 111.1 | L68 T116 Q117 I118 | L68-P114 HydrophobicContact CD1-CG 4.41Å; L68-P114 HydrophobicContact CD2-CG 4.48Å; L68-P114 HydrophobicContact CG-CG 4.14Å; P114-T116 VanDerWaalsContact C-N 3.29Å; P114-T116 PolarHBondContact O-N 2.99Å; P114-Q117 HydrophobicContact CB-CB 4.04Å; P114-Q117 WeakPolarHBondContact O-CA 3.32Å; P114-Q117 WeakPolarHBondContact O-CB 3.28Å; P114-Q117 PolarHBondContact O-N 3.42Å; P114-I118 HydrophobicContact CG-CD1 4.41Å; P114-I118 HydrophobicContact CG-CG1 4.41Å; P114-I118 WeakPolarHBondContact O-CG1 3.21Å; P114-I118 PolarHBondContact O-N 3.06Å |
| 115 | V | 97.3 | Very high | 97.9 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -55.2 | -38.5 | -170.7 | -66.4 | 0 | 0 | 0 | 0 | 113.6 | V109 G113 I118 A119 T129 F168 | V109-V115 HydrophobicContact CG2-CB 4.08Å; V109-V115 HydrophobicContact CG2-CG2 3.82Å; G113-V115 PolarHBondContact O-N 3.2Å; V115-I118 PolarHBondContact O-N 2.99Å; V115-A119 WeakPolarHBondContact O-CB 3.3Å; V115-A119 PolarHBondContact O-N 3.11Å; V115-T129 HydrophobicContact CG2-CG2 4.49Å; V115-F168 HydrophobicContact CB-CD2 4.04Å; V115-F168 HydrophobicContact CB-CE2 4.2Å; V115-F168 HydrophobicContact CG1-CD2 4.02Å |
| 116 | T | 98.1 | Very high | 97.8 | Very high | 54 Ų | 54 | 38.5 Ų | 38.5 | 33% | 0.331 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 175.8 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | P114 A119 H120 V127 T129 | P114-T116 VanDerWaalsContact C-N 3.29Å; P114-T116 PolarHBondContact O-N 2.99Å; T116-A119 PolarHBondContact O-N 3.38Å; T116-H120 PolarHBondContact O-CD2 3.21Å; T116-H120 PolarHBondContact O-N 3.26Å; T116-V127 HydrophobicContact CG2-CB 4.4Å; T116-V127 HydrophobicContact CG2-CG1 4.3Å; T116-T129 WeakPolarHBondContact OG1-CG2 3.36Å |
| 117 | Q | 98.4 | Very high | 97.8 | Very high | 102 Ų | 102 | 39.5 Ų | 39.5 | 48% | 0.477 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.8 | -40 | 177.1 | -167.3 | 179.6 | 4 | 0 | 0 | 111.3 | L68 P114 H120 T121 | L68-Q117 VanDerWaalsContact CD1-CD 3.49Å; L68-Q117 HydrophobicContact CD1-CG 4.28Å; L68-Q117 HydrophobicContact CD2-CB 4.46Å; L68-Q117 HydrophobicContact CD2-CG 4.09Å; P114-Q117 HydrophobicContact CB-CB 4.04Å; P114-Q117 WeakPolarHBondContact O-CA 3.32Å; P114-Q117 WeakPolarHBondContact O-CB 3.28Å; P114-Q117 PolarHBondContact O-N 3.42Å; Q117-H120 PolarHBondContact O-N 2.94Å; Q117-T121 VanDerWaalsContact O-CG2 3.31Å; Q117-T121 WeakPolarHBondContact O-CG2 3.4Å; Q117-T121 PolarHBondContact O-N 3.1Å; Q117-T121 PolarHBondContact O-OG1 3.4Å |
| 118 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -57.5 | -53.2 | 174 | -68.8 | 166.9 | 0 | 0 | 0 | 109.3 | L68 P114 V115 H120 T121 L122 F168 | L68-I118 HydrophobicContact CD2-CG1 3.81Å; P114-I118 HydrophobicContact CG-CD1 4.41Å; P114-I118 HydrophobicContact CG-CG1 4.41Å; P114-I118 WeakPolarHBondContact O-CG1 3.21Å; P114-I118 PolarHBondContact O-N 3.06Å; V115-I118 PolarHBondContact O-N 2.99Å; I118-H120 PolarHBondContact O-N 3.01Å; I118-T121 PolarHBondContact O-N 3.32Å; I118-T121 PolarHBondContact O-OG1 2.95Å; I118-L122 HydrophobicContact CG2-CD1 3.8Å; I118-L122 WeakPolarHBondContact O-CD1 3.46Å; I118-L122 VanDerWaalsContact O-CG 3.31Å; I118-L122 WeakPolarHBondContact O-CG 3.31Å; I118-L122 PolarHBondContact O-N 3.32Å; I118-L122 VanDerWaalsContact O-N 3.14Å; I118-F168 HydrophobicContact CB-CZ 4.46Å; I118-F168 HydrophobicContact CG2-CD1 4.21Å; I118-F168 HydrophobicContact CG2-CE1 3.73Å; I118-F168 HydrophobicContact CG2-CE2 4.34Å; I118-F168 HydrophobicContact CG2-CZ 3.81Å |
| 119 | A | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.6 | -46.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | V109 V115 T116 T121 L122 G123 F124 V127 F168 | V109-A119 HydrophobicContact CG1-CB 4.3Å; V115-A119 WeakPolarHBondContact O-CB 3.3Å; V115-A119 PolarHBondContact O-N 3.11Å; T116-A119 PolarHBondContact O-N 3.38Å; A119-T121 PolarHBondContact O-N 3.22Å; A119-L122 PolarHBondContact O-N 3.06Å; A119-G123 PolarHBondContact O-N 3.36Å; A119-F124 HydrophobicContact CB-CB 4.15Å; A119-F124 HydrophobicContact CB-CD2 4.4Å; A119-F124 WeakPolarHBondContact O-CB 3.46Å; A119-F124 WeakPolarHBondContact O-CD2 3.47Å; A119-F124 PolarHBondContact O-N 3.29Å; A119-V127 HydrophobicContact CB-CG1 4.31Å; A119-V127 HydrophobicContact CB-CG2 3.59Å; A119-F168 HydrophobicContact CB-CE2 4.29Å; A119-F168 HydrophobicContact CB-CZ 3.98Å |
| 120 | H | 98.4 | Very high | 97.7 | Very high | 97 Ų | 97 | 40.5 Ų | 40.5 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -41 | 178.1 | -71.6 | -45 | 0 | 0 | 0 | 113.4 | T116 Q117 I118 L122 G123 F124 | T116-H120 PolarHBondContact O-CD2 3.21Å; T116-H120 PolarHBondContact O-N 3.26Å; Q117-H120 PolarHBondContact O-N 2.94Å; I118-H120 PolarHBondContact O-N 3.01Å; H120-L122 PolarHBondContact O-N 3.44Å; H120-G123 PolarHBondContact O-N 2.96Å; H120-G123 VanDerWaalsContact O-N 3.1Å; H120-F124 PolarHBondContact ND1-O 3.03Å |
| 121 | T | 97.4 | Very high | 97.4 | Very high | 90 Ų | 90 | 45.9 Ų | 45.9 | 55% | 0.552 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.5 | -22.7 | 176.6 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | Q117 I118 A119 | Q117-T121 VanDerWaalsContact O-CG2 3.31Å; Q117-T121 WeakPolarHBondContact O-CG2 3.4Å; Q117-T121 PolarHBondContact O-N 3.1Å; Q117-T121 PolarHBondContact O-OG1 3.4Å; I118-T121 PolarHBondContact O-N 3.32Å; I118-T121 PolarHBondContact O-OG1 2.95Å; A119-T121 PolarHBondContact O-N 3.22Å |
| 122 | L | 97.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -85 | -14.3 | 175.4 | -65.2 | 164.3 | 0 | 0 | 0 | 113.3 | H93 L96 H97 H103 I118 A119 H120 F124 F168 | H93-L122 HydrophobicContact CB-CD1 4.28Å; L96-L122 HydrophobicContact CB-CD1 4.11Å; L96-L122 HydrophobicContact CD1-CD1 3.98Å; H97-L122 HydrophobicContact CB-CD2 4.21Å; H97-L122 PolarHBondContact ND1-O 3.37Å; H103-L122 PolarHBondContact CE1-O 3.3Å; H103-L122 VanDerWaalsContact CE1-O 3.26Å; H103-L122 PolarHBondContact NE2-O 3.43Å; I118-L122 HydrophobicContact CG2-CD1 3.8Å; I118-L122 WeakPolarHBondContact O-CD1 3.46Å; I118-L122 VanDerWaalsContact O-CG 3.31Å; I118-L122 WeakPolarHBondContact O-CG 3.31Å; I118-L122 PolarHBondContact O-N 3.32Å; I118-L122 VanDerWaalsContact O-N 3.14Å; A119-L122 PolarHBondContact O-N 3.06Å; H120-L122 PolarHBondContact O-N 3.44Å; L122-F124 HydrophobicContact CB-CD2 4.03Å; L122-F124 HydrophobicContact CB-CE2 4.1Å; L122-F168 HydrophobicContact CD1-CE1 3.9Å; L122-F168 HydrophobicContact CD1-CZ 4.34Å |
| 123 | G | 98.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 44 Ų | 44 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 115.4 | -6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | H103 A119 H120 Q125 | H103-G123 WeakPolarHBondContact CB-O 3.39Å; A119-G123 PolarHBondContact O-N 3.36Å; H120-G123 PolarHBondContact O-N 2.96Å; H120-G123 VanDerWaalsContact O-N 3.1Å; G123-Q125 PolarHBondContact O-N 3.39Å |
| 124 | F | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 23% | 0.225 | C | C | . | . | trans | -70.3 | 127.7 | 179 | -63.9 | -89.7 | 0 | 0 | 0 | 111.3 | L96 F102 V107 A119 H120 L122 V127 I166 | L96-F124 HydrophobicContact CB-CE2 3.93Å; L96-F124 HydrophobicContact CB-CZ 4.27Å; L96-F124 HydrophobicContact CD1-CE2 4.26Å; L96-F124 HydrophobicContact CD2-CZ 4.31Å; F102-F124 HydrophobicContact CB-CE1 3.74Å; F102-F124 HydrophobicContact CB-CZ 4.4Å; V107-F124 HydrophobicContact CB-CD1 4.47Å; V107-F124 HydrophobicContact CG1-CD1 3.79Å; V107-F124 HydrophobicContact CG1-CE1 3.98Å; V107-F124 HydrophobicContact CG2-CB 4.28Å; V107-F124 HydrophobicContact CG2-CD1 3.87Å; V107-F124 HydrophobicContact CG2-CG 4.26Å; A119-F124 HydrophobicContact CB-CB 4.15Å; A119-F124 HydrophobicContact CB-CD2 4.4Å; A119-F124 WeakPolarHBondContact O-CB 3.46Å; A119-F124 WeakPolarHBondContact O-CD2 3.47Å; A119-F124 PolarHBondContact O-N 3.29Å; H120-F124 PolarHBondContact ND1-O 3.03Å; L122-F124 HydrophobicContact CB-CD2 4.03Å; L122-F124 HydrophobicContact CB-CE2 4.1Å; F124-V127 HydrophobicContact CB-CG2 4.19Å; F124-I166 HydrophobicContact CD1-CD1 3.89Å; F124-I166 HydrophobicContact CD2-CD1 4.16Å; F124-I166 HydrophobicContact CE1-CD1 3.47Å; F124-I166 VanDerWaalsContact CE1-CD1 3.47Å; F124-I166 HydrophobicContact CE2-CD1 3.8Å; F124-I166 HydrophobicContact CG-CD1 4.21Å; F124-I166 HydrophobicContact CZ-CD1 3.44Å; F124-I166 VanDerWaalsContact CZ-CD1 3.44Å | ||
| 125 | Q | 97.6 | Very high | 96.7 | Very high | 121 Ų | 121 | 46.4 Ų | 46.4 | 57% | 0.565 | 24% | 0.238 | S | C | * | . | trans | -95.7 | -32.3 | -174.4 | -62.2 | 177 | 14.5 | 0 | 0 | 113 | H103 N104 G123 | H103-Q125 PolarHBondContact O-N 2.9Å; N104-Q125 PolarHBondContact OD1-NE2 3.4Å; N104-Q125 PolarHBondContact OD1-OE1 3Å; G123-Q125 PolarHBondContact O-N 3.39Å | ||
| 126 | K | 98.1 | Very high | 96.3 | Very high | 104 Ų | 104 | 47.5 Ų | 47.5 | 45% | 0.452 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 98.3 | -173.5 | -63.3 | 172.2 | -166.8 | 156.2 | 0 | 109.4 | N104 C106 V107 | N104-K126 PolarHBondContact O-NZ 2.92Å; C106-K126 WeakPolarHBondContact CA-O 3.42Å; C106-K126 HydrophobicContact CB-CB 4.2Å; V107-K126 PolarHBondContact N-O 2.82Å |
| 127 | V | 98.3 | Very high | 95.9 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 13% | 0.133 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 132.4 | -175.7 | -178 | 0 | 0 | 0 | 0 | 108.7 | V107 V109 T116 A119 F124 | V107-V127 HydrophobicContact CG2-CG2 4.22Å; V109-V127 HydrophobicContact CB-CG1 4.32Å; V109-V127 HydrophobicContact CG1-CG1 3.77Å; V109-V127 HydrophobicContact CG2-CG1 3.52Å; T116-V127 HydrophobicContact CG2-CB 4.4Å; T116-V127 HydrophobicContact CG2-CG1 4.3Å; A119-V127 HydrophobicContact CB-CG1 4.31Å; A119-V127 HydrophobicContact CB-CG2 3.59Å; F124-V127 HydrophobicContact CB-CG2 4.19Å |
| 128 | V | 98.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.2 | 167.9 | 175.1 | 0 | 0 | 0 | 0 | 106.9 | V107 L108 V109 E132 L133 L159 | V107-V128 PolarHBondContact O-N 3.4Å; L108-V128 WeakPolarHBondContact CA-O 3.45Å; L108-V128 HydrophobicContact CD1-CB 4.44Å; L108-V128 HydrophobicContact CD1-CG1 4.05Å; V109-V128 PolarHBondContact N-O 2.79Å; V128-E132 WeakPolarHBondContact CA-OE2 3.32Å; V128-E132 HydrophobicContact CG1-CB 4.42Å; V128-L133 HydrophobicContact CG1-CB 4.27Å; V128-L159 HydrophobicContact CG1-CD1 4.09Å; V128-L159 HydrophobicContact CG1-CD2 4.37Å; V128-L159 HydrophobicContact CG2-CD2 4.37Å |
| 129 | T | 97.7 | Very high | 95 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 165.1 | 175.2 | 83.1 | 0 | 0 | 0 | 0 | 111.9 | V109 V115 T116 E131 E132 L133 | V109-T129 HydrophobicContact CG2-CG2 4.3Å; V115-T129 HydrophobicContact CG2-CG2 4.49Å; T116-T129 WeakPolarHBondContact OG1-CG2 3.36Å; T129-E131 WeakPolarHBondContact CB-OE2 3.46Å; T129-E131 PolarHBondContact O-N 2.95Å; T129-E131 PolarHBondContact OG1-N 2.98Å; T129-E131 PolarHBondContact OG1-OE2 3.09Å; T129-E132 PolarHBondContact N-OE2 3.01Å; T129-E132 VanDerWaalsContact N-OE2 3.11Å; T129-E132 PolarHBondContact O-N 3.12Å; T129-E132 PolarHBondContact OG1-N 3Å; T129-E132 VanDerWaalsContact OG1-N 3.14Å; T129-L133 WeakPolarHBondContact O-CB 3.11Å; T129-L133 PolarHBondContact O-N 2.76Å |
| 130 | M | 96.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.1 | -36.2 | 174.4 | -61.5 | -60.4 | -54.2 | 0 | 0 | 111.7 | L108 V109 L133 S134 N177 L180 I181 | L108-M130 HydrophobicContact CD1-SD 3.81Å; L108-M130 HydrophobicContact CD2-SD 3.88Å; L108-M130 HydrophobicContact CG-SD 3.89Å; V109-M130 WeakPolarHBondContact O-CG 3.28Å; M130-L133 PolarHBondContact O-N 3.34Å; M130-S134 WeakPolarHBondContact O-CB 3.45Å; M130-S134 PolarHBondContact O-N 3.25Å; M130-N177 HydrophobicContact CE-CB 4.32Å; M130-N177 WeakPolarHBondContact CG-OD1 3.34Å; M130-L180 HydrophobicContact CE-CB 3.55Å; M130-L180 HydrophobicContact CE-CD1 3.89Å; M130-L180 HydrophobicContact CE-CG 4.32Å; M130-I181 HydrophobicContact CE-CG1 4.25Å; M130-I181 HydrophobicContact SD-CG1 4.33Å |
| 131 | E | 93.6 | Very high | 94.2 | Very high | 114 Ų | 114 | 47.3 Ų | 47.3 | 53% | 0.533 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.2 | -50.6 | 175.9 | -58.9 | 73.1 | -158.8 | 0 | 0 | 110.6 | T129 L133 S134 E135 | T129-E131 WeakPolarHBondContact CB-OE2 3.46Å; T129-E131 PolarHBondContact O-N 2.95Å; T129-E131 PolarHBondContact OG1-N 2.98Å; T129-E131 PolarHBondContact OG1-OE2 3.09Å; E131-L133 VanDerWaalsContact C-N 3.28Å; E131-L133 PolarHBondContact O-N 3.28Å; E131-S134 PolarHBondContact O-N 3.11Å; E131-E135 WeakPolarHBondContact O-CG 3.46Å; E131-E135 PolarHBondContact O-N 2.96Å |
| 132 | E | 94.4 | Very high | 93.7 | Very high | 45 Ų | 45 | 45.6 Ų | 45.6 | 21% | 0.21 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.4 | -42.3 | 176.3 | -71.9 | -176.9 | 127.2 | 0 | 0 | 111.2 | V128 T129 E135 Q136 R157 | V128-E132 WeakPolarHBondContact CA-OE2 3.32Å; V128-E132 HydrophobicContact CG1-CB 4.42Å; T129-E132 PolarHBondContact N-OE2 3.01Å; T129-E132 VanDerWaalsContact N-OE2 3.11Å; T129-E132 PolarHBondContact O-N 3.12Å; T129-E132 PolarHBondContact OG1-N 3Å; T129-E132 VanDerWaalsContact OG1-N 3.14Å; E132-E135 PolarHBondContact O-N 3.16Å; E132-Q136 WeakPolarHBondContact O-CB 3.47Å; E132-Q136 WeakPolarHBondContact O-CG 3.34Å; E132-Q136 PolarHBondContact O-N 3.5Å; E132-Q136 VanDerWaalsContact O-N 3.11Å; E132-R157 IonicContact OE1-CZ 3.81Å; E132-R157 IonicContact OE1-NH1 3.05Å; E132-R157 PolarHBondContact OE1-NH1 3.4Å; E132-R157 IonicContact OE1-NH2 3.73Å |
| 133 | L | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 178 | 178.7 | 63.1 | 0 | 0 | 0 | 112 | L108 V128 T129 M130 E131 Q136 H137 L159 I162 L180 V184 P191 | L108-L133 HydrophobicContact CD1-CB 4.29Å; L108-L133 HydrophobicContact CD1-CD2 3.96Å; L108-L133 HydrophobicContact CD2-CD2 4.09Å; V128-L133 HydrophobicContact CG1-CB 4.27Å; T129-L133 WeakPolarHBondContact O-CB 3.11Å; T129-L133 PolarHBondContact O-N 2.76Å; M130-L133 PolarHBondContact O-N 3.34Å; E131-L133 VanDerWaalsContact C-N 3.28Å; E131-L133 PolarHBondContact O-N 3.28Å; L133-Q136 PolarHBondContact O-N 3.19Å; L133-H137 PolarHBondContact O-N 3.19Å; L133-L159 HydrophobicContact CD1-CD1 3.94Å; L133-I162 HydrophobicContact CD1-CD1 4.45Å; L133-L180 HydrophobicContact CD2-CB 3.98Å; L133-L180 HydrophobicContact CD2-CD1 4.41Å; L133-V184 HydrophobicContact CD2-CG2 3.65Å; L133-P191 HydrophobicContact CD1-CG 3.46Å; L133-P191 VanDerWaalsContact CD1-CG 3.46Å |
| 134 | S | 92.2 | Very high | 92.7 | Very high | 21 Ų | 21 | 50 Ų | 50 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -38.3 | 177.3 | -173.7 | 0 | 0 | 0 | 0 | 112.3 | M130 E131 Q136 H137 P138 | M130-S134 WeakPolarHBondContact O-CB 3.45Å; M130-S134 PolarHBondContact O-N 3.25Å; E131-S134 PolarHBondContact O-N 3.11Å; S134-Q136 VanDerWaalsContact C-N 3.33Å; S134-H137 CarbonylContact O-C 3.36Å; S134-P138 WeakPolarHBondContact O-CA 3.38Å; S134-P138 WeakPolarHBondContact O-CB 3.36Å |
| 135 | E | 89.3 | Confident | 92.1 | Very high | 131 Ų | 131 | 56.4 Ų | 56.4 | 61% | 0.612 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -67.4 | -35.6 | 178.1 | -74.7 | 174.5 | 178.2 | 0 | 0 | 111.9 | E131 E132 | E131-E135 WeakPolarHBondContact O-CG 3.46Å; E131-E135 PolarHBondContact O-N 2.96Å; E132-E135 PolarHBondContact O-N 3.16Å |
| 136 | Q | 89.3 | Confident | 91.6 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 18% | 0.178 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -79.4 | -30.1 | -179.7 | -64.7 | -63.5 | -23.8 | 0 | 0 | 112.9 | E132 L133 S134 S155 R157 L159 | E132-Q136 WeakPolarHBondContact O-CB 3.47Å; E132-Q136 WeakPolarHBondContact O-CG 3.34Å; E132-Q136 PolarHBondContact O-N 3.5Å; E132-Q136 VanDerWaalsContact O-N 3.11Å; L133-Q136 PolarHBondContact O-N 3.19Å; S134-Q136 VanDerWaalsContact C-N 3.33Å; Q136-S155 PolarHBondContact NE2-OG 3.04Å; Q136-S155 VanDerWaalsContact OE1-CB 3.25Å; Q136-S155 PolarHBondContact OE1-OG 3.25Å; Q136-R157 PolarHBondContact OE1-O 3.41Å; Q136-L159 HydrophobicContact CB-CD1 3.74Å; Q136-L159 HydrophobicContact CB-CG 4.09Å; Q136-L159 HydrophobicContact CG-CD1 3.72Å; Q136-L159 HydrophobicContact CG-CD2 4.1Å; Q136-L159 HydrophobicContact CG-CG 3.72Å |
| 137 | H | 89.4 | Confident | 90.6 | Very high | 54 Ų | 54 | 54.5 Ų | 54.5 | 25% | 0.25 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -127.5 | 65.2 | 179.3 | -61.3 | -81.6 | 0 | 0 | 0 | 111.2 | L133 S134 L139 L140 | L133-H137 PolarHBondContact O-N 3.19Å; S134-H137 CarbonylContact O-C 3.36Å; H137-L139 PolarHBondContact O-N 3.17Å; H137-L139 VanDerWaalsContact O-N 3.13Å; H137-L140 HydrophobicContact CB-CB 4.4Å; H137-L140 HydrophobicContact CB-CD1 3.42Å; H137-L140 VanDerWaalsContact CB-CD1 3.42Å; H137-L140 HydrophobicContact CB-CG 3.78Å; H137-L140 WeakPolarHBondContact O-CB 3.49Å; H137-L140 PolarHBondContact O-N 3.12Å |
| 138 | P | 87.9 | Confident | 89.9 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -10.8 | -165.7 | 36.9 | -42.6 | 0 | 0 | 0 | 113.5 | S134 P149 P153 | S134-P138 WeakPolarHBondContact O-CA 3.38Å; S134-P138 WeakPolarHBondContact O-CB 3.36Å; P138-P149 HydrophobicContact CB-CG 3.46Å; P138-P149 VanDerWaalsContact CB-CG 3.46Å; P138-P149 HydrophobicContact CG-CG 3.83Å; P138-P153 HydrophobicContact CG-CB 3.84Å; P138-P153 HydrophobicContact CG-CG 3.58Å |
| 139 | L | 89.8 | Confident | 88.8 | Confident | 129 Ų | 129 | 60.2 Ų | 60.2 | 68% | 0.675 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -7.6 | 169 | -63.7 | -177.7 | 0 | 0 | 0 | 113.5 | H137 M142 | H137-L139 PolarHBondContact O-N 3.17Å; H137-L139 VanDerWaalsContact O-N 3.13Å; L139-M142 HydrophobicContact CD2-CE 4.31Å; L139-M142 HydrophobicContact CD2-SD 4.28Å; L139-M142 WeakPolarHBondContact O-CG 3.38Å |
| 140 | L | 90.8 | Very high | 87.5 | Confident | 43 Ų | 43 | 66.8 Ų | 66.8 | 23% | 0.225 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -26.2 | 175.4 | -58.6 | -178.6 | 0 | 0 | 0 | 112.5 | H137 Q179 L180 D183 P191 | H137-L140 HydrophobicContact CB-CB 4.4Å; H137-L140 HydrophobicContact CB-CD1 3.42Å; H137-L140 VanDerWaalsContact CB-CD1 3.42Å; H137-L140 HydrophobicContact CB-CG 3.78Å; H137-L140 WeakPolarHBondContact O-CB 3.49Å; H137-L140 PolarHBondContact O-N 3.12Å; L140-Q179 VanDerWaalsContact O-CG 3.29Å; L140-Q179 WeakPolarHBondContact O-CG 3.18Å; L140-L180 HydrophobicContact CB-CD2 3.53Å; L140-L180 HydrophobicContact CD1-CD2 4.28Å; L140-D183 HydrophobicContact CD1-CB 4.46Å; L140-P191 HydrophobicContact CD1-CB 3.68Å; L140-P191 WeakPolarHBondContact CD1-O 3.3Å |
| 141 | D | 88.8 | Confident | 86 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.016 | 37% | 0.374 | C | S | . | . | trans | -101.8 | 74.1 | 175.6 | -177.7 | 19.9 | 0 | 0 | 0 | 111.4 | R147 R173 T176 | D141-R147 IonicContact OD1-NH2 2.87Å; D141-R147 IonicContact OD2-CZ 3.5Å; D141-R147 IonicContact OD2-NH1 2.73Å; D141-R147 PolarHBondContact OD2-NH1 3.42Å; D141-R147 IonicContact OD2-NH2 3.35Å; D141-R147 PolarHBondContact OD2-NH2 3.41Å; D141-R173 IonicContact OD2-NH2 2.59Å; D141-R173 PolarHBondContact OD2-NH2 3.03Å; D141-T176 WeakPolarHBondContact OD1-CB 3.45Å; D141-T176 PolarHBondContact OD1-OG1 3.35Å; D141-T176 WeakPolarHBondContact OD2-CB 3.21Å; D141-T176 PolarHBondContact OD2-OG1 2.89Å; D141-T176 VanDerWaalsContact OD2-OG1 3.09Å | ||
| 142 | M | 88.2 | Confident | 84.4 | Confident | 53 Ų | 53 | 71.5 Ų | 71.5 | 26% | 0.261 | 39% | 0.387 | S | S | . | . | trans | -108.5 | 2.6 | -174.5 | -62.8 | -65 | -78 | 0 | 0 | 114.1 | L139 R148 | L139-M142 HydrophobicContact CD2-CE 4.31Å; L139-M142 HydrophobicContact CD2-SD 4.28Å; L139-M142 WeakPolarHBondContact O-CG 3.38Å; M142-R148 HydrophobicContact CE-CB 3.97Å; M142-R148 HydrophobicContact CE-CG 3.62Å; M142-R148 VanDerWaalsContact O-CZ 3.23Å; M142-R148 PolarHBondContact O-NE 3.32Å; M142-R148 PolarHBondContact O-NH2 3.43Å; M142-R148 HydrophobicContact SD-CB 4.18Å; M142-R148 HydrophobicContact SD-CG 3.77Å | ||
| 143 | V | 87.6 | Confident | 82.9 | Confident | 79 Ų | 79 | 72.8 Ų | 72.8 | 48% | 0.479 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -66.1 | -43.4 | -178.2 | 179.4 | 0 | 0 | 0 | 0 | 110.8 | H145 E175 | V143-H145 PolarHBondContact O-N 3.13Å; V143-E175 HydrophobicContact CB-CB 4.27Å; V143-E175 HydrophobicContact CB-CG 3.93Å; V143-E175 HydrophobicContact CG1-CB 3.91Å; V143-E175 HydrophobicContact CG1-CG 3.74Å; V143-E175 HydrophobicContact CG2-CB 4.47Å |
| 144 | D | 86.7 | Confident | 81 | Confident | 49 Ų | 49 | 78.7 Ų | 78.7 | 26% | 0.262 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -82.9 | 103 | 174.3 | -172 | -18.3 | 0 | 0 | 0 | 110.5 | S146 R147 R148 | D144-S146 PolarHBondContact O-N 3.03Å; D144-S146 WeakPolarHBondContact OD1-CB 3.21Å; D144-S146 PolarHBondContact OD1-N 3.35Å; D144-S146 PolarHBondContact OD1-OG 2.93Å; D144-S146 PolarHBondContact OD2-OG 2.97Å; D144-R147 HydrophobicContact CB-CB 4.39Å; D144-R147 PolarHBondContact O-N 3.43Å; D144-R147 VanDerWaalsContact O-N 3.12Å; D144-R147 WeakPolarHBondContact OD2-CD 3.12Å; D144-R147 IonicContact OD2-CZ 2.71Å; D144-R147 IonicContact OD2-NE 3.55Å; D144-R147 PolarHBondContact OD2-NE 3.08Å; D144-R147 IonicContact OD2-NH2 2.8Å; D144-R148 PolarHBondContact O-N 3.42Å |
| 145 | H | 86.1 | Confident | 79.4 | Confident | 135 Ų | 135 | 80.3 Ų | 80.3 | 63% | 0.625 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -57.8 | -28.5 | 179.1 | -70.1 | -91.8 | 0 | 0 | 0 | 113.8 | V143 R147 R148 | V143-H145 PolarHBondContact O-N 3.13Å; H145-R147 VanDerWaalsContact C-N 3.29Å; H145-R147 PolarHBondContact O-N 3.2Å; H145-R148 PolarHBondContact CE1-NH2 2.75Å; H145-R148 PolarHBondContact ND1-NE 2.86Å; H145-R148 PolarHBondContact ND1-NH1 3.32Å; H145-R148 PolarHBondContact ND1-NH2 2.86Å |
| 146 | S | 85.6 | Confident | 78.1 | Confident | 102 Ų | 102 | 79.7 Ų | 79.7 | 71% | 0.713 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -74.7 | -20.1 | -178.7 | 73.7 | 0 | 0 | 0 | 0 | 113.2 | D144 | D144-S146 PolarHBondContact O-N 3.03Å; D144-S146 WeakPolarHBondContact OD1-CB 3.21Å; D144-S146 PolarHBondContact OD1-N 3.35Å; D144-S146 PolarHBondContact OD1-OG 2.93Å; D144-S146 PolarHBondContact OD2-OG 2.97Å |
| 147 | R | 78.2 | Confident | 77.2 | Confident | 82 Ų | 82 | 85 Ų | 85 | 31% | 0.309 | 48% | 0.481 | S | S | . | . | G | 310 helix | trans | -107.5 | 5.6 | -177.4 | -62.7 | -174.3 | -63.9 | 96.4 | 4.5 | 113.5 | D141 D144 H145 R173 E175 T176 | D141-R147 IonicContact OD1-NH2 2.87Å; D141-R147 IonicContact OD2-CZ 3.5Å; D141-R147 IonicContact OD2-NH1 2.73Å; D141-R147 PolarHBondContact OD2-NH1 3.42Å; D141-R147 IonicContact OD2-NH2 3.35Å; D141-R147 PolarHBondContact OD2-NH2 3.41Å; D144-R147 HydrophobicContact CB-CB 4.39Å; D144-R147 PolarHBondContact O-N 3.43Å; D144-R147 VanDerWaalsContact O-N 3.12Å; D144-R147 WeakPolarHBondContact OD2-CD 3.12Å; D144-R147 IonicContact OD2-CZ 2.71Å; D144-R147 IonicContact OD2-NE 3.55Å; D144-R147 PolarHBondContact OD2-NE 3.08Å; D144-R147 IonicContact OD2-NH2 2.8Å; H145-R147 VanDerWaalsContact C-N 3.29Å; H145-R147 PolarHBondContact O-N 3.2Å; R147-R173 VanDerWaalsContact NH2-NE 3.13Å; R147-E175 IonicContact NH2-OE1 3.52Å; R147-T176 PolarHBondContact NH2-OG1 2.84Å |
| 148 | R | 83 | Confident | 76.9 | Confident | 99 Ų | 99 | 90 Ų | 90 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -62.5 | 138.5 | 177.2 | -69.7 | -177.7 | 175 | -165.1 | -0.9 | 110.1 | M142 D144 H145 T150 | M142-R148 HydrophobicContact CE-CB 3.97Å; M142-R148 HydrophobicContact CE-CG 3.62Å; M142-R148 VanDerWaalsContact O-CZ 3.23Å; M142-R148 PolarHBondContact O-NE 3.32Å; M142-R148 PolarHBondContact O-NH2 3.43Å; M142-R148 HydrophobicContact SD-CB 4.18Å; M142-R148 HydrophobicContact SD-CG 3.77Å; D144-R148 PolarHBondContact O-N 3.42Å; H145-R148 PolarHBondContact CE1-NH2 2.75Å; H145-R148 PolarHBondContact ND1-NE 2.86Å; H145-R148 PolarHBondContact ND1-NH1 3.32Å; H145-R148 PolarHBondContact ND1-NH2 2.86Å; R148-T150 PolarHBondContact O-N 2.95Å |
| 149 | P | 75.4 | Confident | 76.9 | Confident | 48 Ų | 48 | 90.3 Ų | 90.3 | 31% | 0.312 | 51% | 0.508 | S | S | . | . | trans | -60.7 | 130 | 176.2 | -22.7 | 35.1 | 0 | 0 | 0 | 110.5 | P138 | P138-P149 HydrophobicContact CB-CG 3.46Å; P138-P149 VanDerWaalsContact CB-CG 3.46Å; P138-P149 HydrophobicContact CG-CG 3.83Å | ||
| 150 | T | 70.2 | Confident | 77 | Confident | 149 Ų | 149 | 87.6 Ų | 87.6 | 91% | 0.914 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -88.3 | -10.3 | 171.9 | 50.3 | 0 | 0 | 0 | 0 | 112.3 | R148 | R148-T150 PolarHBondContact O-N 2.95Š|
| 151 | S | 65 | Low | 77.3 | Confident | 89 Ų | 89 | 89.1 Ų | 89.1 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -141.9 | 159.7 | 178.7 | 59.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 152 | T | 61.3 | Low | 77.7 | Confident | 132 Ų | 132 | 89 Ų | 89 | 81% | 0.81 | 50% | 0.504 | S | S | * | . | trans | -62 | 127.5 | 174.1 | 28.2 | 0 | 0 | 0 | 0 | 110.4 | S154 | T152-S154 PolarHBondContact O-N 3.3Š| ||
| 153 | P | 61 | Low | 78.2 | Confident | 71 Ų | 71 | 90.8 Ų | 90.8 | 46% | 0.461 | 51% | 0.511 | S | S | . | . | trans | -63 | 134.2 | -178.8 | 25 | -33.2 | 0 | 0 | 0 | 111 | P138 | P138-P153 HydrophobicContact CG-CB 3.84Å; P138-P153 HydrophobicContact CG-CG 3.58Å | ||
| 154 | S | 54.6 | Low | 78.7 | Confident | 124 Ų | 124 | 87 Ų | 87 | 87% | 0.867 | 49% | 0.488 | S | S | * | . | trans | -94.8 | 11.2 | -178.9 | 56.4 | 0 | 0 | 0 | 0 | 113.4 | T152 S156 | T152-S154 PolarHBondContact O-N 3.3Å; S154-S156 PolarHBondContact O-N 2.92Å | ||
| 155 | S | 59 | Low | 79.3 | Confident | 55 Ų | 55 | 84.7 Ų | 84.7 | 39% | 0.385 | 48% | 0.476 | S | S | . | . | trans | -70.2 | 117.2 | -176.8 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | Q136 R157 | Q136-S155 PolarHBondContact NE2-OG 3.04Å; Q136-S155 VanDerWaalsContact OE1-CB 3.25Å; Q136-S155 PolarHBondContact OE1-OG 3.25Å; S155-R157 VanDerWaalsContact C-N 3.28Å; S155-R157 PolarHBondContact OG-N 2.99Å | ||
| 156 | S | 62.1 | Low | 79.9 | Confident | 119 Ų | 119 | 78.3 Ų | 78.3 | 83% | 0.832 | 45% | 0.446 | S | S | * | . | trans | -81.4 | -4.8 | 169.8 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | S154 I158 | S154-S156 PolarHBondContact O-N 2.92Å; S156-I158 PolarHBondContact O-N 2.91Å | ||
| 157 | R | 71.6 | Confident | 80.5 | Confident | 150 Ų | 150 | 73.4 Ų | 73.4 | 57% | 0.566 | 41% | 0.412 | S | S | * | . | trans | -85.5 | 98.2 | -172 | -171 | 178.8 | -177.3 | -154.6 | -5.3 | 110.9 | E132 Q136 S155 L159 | E132-R157 IonicContact OE1-CZ 3.81Å; E132-R157 IonicContact OE1-NH1 3.05Å; E132-R157 PolarHBondContact OE1-NH1 3.4Å; E132-R157 IonicContact OE1-NH2 3.73Å; Q136-R157 PolarHBondContact OE1-O 3.41Å; S155-R157 VanDerWaalsContact C-N 3.28Å; S155-R157 PolarHBondContact OG-N 2.99Å; R157-L159 PolarHBondContact O-N 3.42Å | ||
| 158 | I | 81.9 | Confident | 81.5 | Confident | 158 Ų | 158 | 69.5 Ų | 69.5 | 81% | 0.81 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 120.4 | 174.1 | -58.6 | 171.4 | 0 | 0 | 0 | 109.1 | S156 | S156-I158 PolarHBondContact O-N 2.91Š|
| 159 | L | 87.5 | Confident | 82 | Confident | 27 Ų | 27 | 65.1 Ų | 65.1 | 14% | 0.141 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 138.4 | 171.4 | -67.4 | 177.1 | 0 | 0 | 0 | 110.2 | V128 L133 Q136 R157 | V128-L159 HydrophobicContact CG1-CD1 4.09Å; V128-L159 HydrophobicContact CG1-CD2 4.37Å; V128-L159 HydrophobicContact CG2-CD2 4.37Å; L133-L159 HydrophobicContact CD1-CD1 3.94Å; Q136-L159 HydrophobicContact CB-CD1 3.74Å; Q136-L159 HydrophobicContact CB-CG 4.09Å; Q136-L159 HydrophobicContact CG-CD1 3.72Å; Q136-L159 HydrophobicContact CG-CD2 4.1Å; Q136-L159 HydrophobicContact CG-CG 3.72Å; R157-L159 PolarHBondContact O-N 3.42Å |
| 160 | P | 92.8 | Very high | 82.9 | Confident | 73 Ų | 73 | 65.2 Ų | 65.2 | 47% | 0.474 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 156.2 | 169.4 | 28.6 | -34.9 | 0 | 0 | 0 | 110.3 | C106 I162 | C106-P160 HydrophobicContact CB-CG 4.32Å; C106-P160 VanDerWaalsContact SG-CG 3.59Å; P160-I162 PolarHBondContact O-N 3.48Å |
| 161 | Q | 96.1 | Very high | 84.1 | Confident | 74 Ų | 74 | 58.3 Ų | 58.3 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 125.7 | 172 | 177.6 | 173.7 | -1.6 | 0 | 0 | 109.6 | C106 N188 R190 | C106-Q161 WeakPolarHBondContact CB-O 3.36Å; Q161-N188 PolarHBondContact NE2-O 3.49Å; Q161-R190 HydrophobicContact CB-CG 4.42Å; Q161-R190 HydrophobicContact CG-CG 4Å; Q161-R190 VanDerWaalsContact OE1-NE 3.09Å |
| 162 | I | 98.3 | Very high | 85.5 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 137.2 | 174.2 | -63.6 | 156.3 | 0 | 0 | 0 | 108.3 | L108 L133 P160 A164 V184 G189 M203 | L108-I162 HydrophobicContact CB-CD1 4.15Å; L108-I162 HydrophobicContact CB-CG1 4.4Å; L108-I162 HydrophobicContact CB-CG2 3.76Å; L108-I162 HydrophobicContact CD1-CD1 4.44Å; L133-I162 HydrophobicContact CD1-CD1 4.45Å; P160-I162 PolarHBondContact O-N 3.48Å; I162-A164 WeakPolarHBondContact CG2-O 3.41Å; I162-V184 HydrophobicContact CB-CG1 4.28Å; I162-V184 HydrophobicContact CD1-CG1 4.06Å; I162-V184 HydrophobicContact CD1-CG2 3.76Å; I162-V184 HydrophobicContact CG2-CG1 3.98Å; I162-G189 PolarHBondContact N-O 3.26Å; I162-G189 VanDerWaalsContact N-O 3.1Å; I162-G189 WeakPolarHBondContact O-CA 3.14Å; I162-M203 HydrophobicContact CG2-CE 4.1Å; I162-M203 HydrophobicContact CG2-SD 4.08Å; I162-M203 VanDerWaalsContact O-SD 3.35Å |
| 163 | Q | 98.4 | Very high | 87 | Confident | 90 Ų | 90 | 58 Ų | 58 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | trans | -121.6 | -12.3 | -173.7 | -61.3 | 178 | -81.7 | 0 | 0 | 113.4 | K105 C106 M203 | K105-Q163 HydrophobicContact CB-CB 4.02Å; K105-Q163 HydrophobicContact CD-CB 4.3Å; K105-Q163 HydrophobicContact CG-CB 4.36Å; C106-Q163 PolarHBondContact O-N 3.04Å; Q163-M203 WeakPolarHBondContact O-CG 3.4Å | ||
| 164 | A | 98.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 161.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | F102 C106 V107 L108 I162 P204 | F102-A164 HydrophobicContact CD1-CB 3.84Å; F102-A164 HydrophobicContact CE1-CB 4Å; C106-A164 PolarHBondContact O-N 3.39Å; V107-A164 VanDerWaalsContact CA-O 3.32Å; V107-A164 WeakPolarHBondContact CA-O 3.42Å; V107-A164 HydrophobicContact CG1-CB 4.18Å; L108-A164 PolarHBondContact N-O 2.85Å; I162-A164 WeakPolarHBondContact CG2-O 3.41Å; A164-P204 WeakPolarHBondContact CA-O 3.42Å; A164-P204 HydrophobicContact CB-CB 4.15Å |
| 165 | I | 98.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 134.1 | 175.2 | -53.1 | 179.3 | 0 | 0 | 0 | 108.8 | L108 L167 I181 V184 L185 M203 P204 V205 L206 | L108-I165 HydrophobicContact CB-CG1 4.46Å; L108-I165 CarbonylContact O-C 3.57Å; L108-I165 WeakPolarHBondContact O-CA 3.35Å; I165-L167 HydrophobicContact CG2-CD2 3.64Å; I165-L167 HydrophobicContact CG2-CG 4.26Å; I165-I181 HydrophobicContact CD1-CG2 3.94Å; I165-V184 HydrophobicContact CD1-CB 4.48Å; I165-V184 HydrophobicContact CD1-CG1 3.82Å; I165-V184 HydrophobicContact CG1-CG1 4.17Å; I165-L185 HydrophobicContact CD1-CD2 3.89Å; I165-L185 HydrophobicContact CD1-CG 3.85Å; I165-M203 HydrophobicContact CD1-CE 3.75Å; I165-M203 HydrophobicContact CG1-CE 3.61Å; I165-P204 PolarHBondContact N-O 3.45Å; I165-V205 HydrophobicContact CB-CG1 4.47Å; I165-V205 HydrophobicContact CB-CG2 4.44Å; I165-L206 PolarHBondContact O-N 3.35Å |
| 166 | I | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.1 | 173.7 | -49.8 | 178.8 | 0 | 0 | 0 | 108.8 | L96 V107 L108 V109 S110 F124 F168 L206 | L96-I166 HydrophobicContact CD1-CG2 3.73Å; V107-I166 HydrophobicContact CB-CD1 3.96Å; V107-I166 HydrophobicContact CB-CG1 4.15Å; V107-I166 HydrophobicContact CG1-CD1 4.12Å; V107-I166 HydrophobicContact CG1-CG1 4.41Å; V107-I166 HydrophobicContact CG2-CD1 3.84Å; L108-I166 PolarHBondContact O-N 2.75Å; V109-I166 WeakPolarHBondContact CA-O 3.35Å; V109-I166 HydrophobicContact CG1-CB 4.25Å; V109-I166 HydrophobicContact CG1-CD1 4.34Å; S110-I166 PolarHBondContact N-O 2.91Å; F124-I166 HydrophobicContact CD1-CD1 3.89Å; F124-I166 HydrophobicContact CD2-CD1 4.16Å; F124-I166 HydrophobicContact CE1-CD1 3.47Å; F124-I166 VanDerWaalsContact CE1-CD1 3.47Å; F124-I166 HydrophobicContact CE2-CD1 3.8Å; F124-I166 HydrophobicContact CG-CD1 4.21Å; F124-I166 HydrophobicContact CZ-CD1 3.44Å; F124-I166 VanDerWaalsContact CZ-CD1 3.44Å; I166-F168 HydrophobicContact CG2-CD1 3.83Å; I166-F168 HydrophobicContact CG2-CD2 4.45Å; I166-F168 HydrophobicContact CG2-CE1 3.67Å; I166-F168 HydrophobicContact CG2-CE2 4.3Å; I166-F168 HydrophobicContact CG2-CG 4.24Å; I166-F168 HydrophobicContact CG2-CZ 3.91Å; I166-L206 HydrophobicContact CG1-CD1 4.24Å |
| 167 | L | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 95.6 | 176.8 | -49 | 177.5 | 0 | 0 | 0 | 107.5 | I165 G169 I181 V205 L206 C208 H225 L229 L232 Y246 | I165-L167 HydrophobicContact CG2-CD2 3.64Å; I165-L167 HydrophobicContact CG2-CG 4.26Å; L167-G169 VanDerWaalsContact C-N 3.35Å; L167-I181 HydrophobicContact CD2-CD1 3.7Å; L167-V205 HydrophobicContact CD1-CG1 3.78Å; L167-V205 HydrophobicContact CG-CG1 4.18Å; L167-L206 PolarHBondContact N-O 2.97Å; L167-C208 VanDerWaalsContact O-CB 3.24Å; L167-C208 WeakPolarHBondContact O-CB 3.45Å; L167-C208 PolarHBondContact O-N 2.92Å; L167-C208 PolarHBondContact O-SG 3.14Å; L167-C208 VanDerWaalsContact O-SG 3.36Å; L167-H225 WeakPolarHBondContact CB-NE2 3.25Å; L167-L229 HydrophobicContact CD1-CD2 3.37Å; L167-L232 HydrophobicContact CD1-CD2 4.07Å; L167-Y246 HydrophobicContact CD1-CE1 4.39Å |
| 168 | F | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -72.8 | -28 | -175.8 | -75.3 | -55.4 | 0 | 0 | 0 | 113.1 | H93 L96 V109 S110 V115 I118 A119 L122 I166 | H93-F168 HydrophobicContact CB-CD1 3.51Å; H93-F168 HydrophobicContact CB-CE1 3.79Å; L96-F168 HydrophobicContact CD1-CD1 4.25Å; L96-F168 HydrophobicContact CD1-CE1 3.62Å; V109-F168 HydrophobicContact CB-CD2 4.19Å; V109-F168 HydrophobicContact CB-CE2 3.8Å; V109-F168 HydrophobicContact CG1-CE2 3.75Å; V109-F168 HydrophobicContact CG1-CZ 4.37Å; S110-F168 PolarHBondContact O-N 2.69Å; V115-F168 HydrophobicContact CB-CD2 4.04Å; V115-F168 HydrophobicContact CB-CE2 4.2Å; V115-F168 HydrophobicContact CG1-CD2 4.02Å; I118-F168 HydrophobicContact CB-CZ 4.46Å; I118-F168 HydrophobicContact CG2-CD1 4.21Å; I118-F168 HydrophobicContact CG2-CE1 3.73Å; I118-F168 HydrophobicContact CG2-CE2 4.34Å; I118-F168 HydrophobicContact CG2-CZ 3.81Å; A119-F168 HydrophobicContact CB-CE2 4.29Å; A119-F168 HydrophobicContact CB-CZ 3.98Å; L122-F168 HydrophobicContact CD1-CE1 3.9Å; L122-F168 HydrophobicContact CD1-CZ 4.34Å; I166-F168 HydrophobicContact CG2-CD1 3.83Å; I166-F168 HydrophobicContact CG2-CD2 4.45Å; I166-F168 HydrophobicContact CG2-CE1 3.67Å; I166-F168 HydrophobicContact CG2-CE2 4.3Å; I166-F168 HydrophobicContact CG2-CG 4.24Å; I166-F168 HydrophobicContact CG2-CZ 3.91Å | ||
| 169 | G | 95.2 | Very high | 95.9 | Very high | 6 Ų | 6 | 37 Ų | 37 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 170.9 | -178.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | G111 L167 P171 H225 | G111-G169 WeakPolarHBondContact CA-O 3.31Å; L167-G169 VanDerWaalsContact C-N 3.35Å; G169-P171 WeakPolarHBondContact O-CD 3.41Å; G169-H225 VanDerWaalsContact C-CG 3.45Å; G169-H225 PolarHBondContact O-CE1 3.47Å; G169-H225 PolarHBondContact O-ND1 3.26Å |
| 170 | E | 93.5 | Very high | 96.4 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 24% | 0.238 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -61.9 | 123.2 | -179.6 | 66.4 | -65.4 | 162 | 0 | 0 | 111.1 | Q112 W174 H225 | Q112-E170 WeakPolarHBondContact CG-O 3.35Å; Q112-E170 PolarHBondContact NE2-O 2.96Å; E170-W174 HydrophobicContact CB-CZ2 4.48Å; E170-H225 WeakPolarHBondContact CA-ND1 3.34Å; E170-H225 HydrophobicContact CB-CB 4.4Å; E170-H225 PolarHBondContact N-ND1 2.71Å; E170-H225 VanDerWaalsContact N-ND1 3.11Å |
| 171 | P | 95.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -79.4 | 164.7 | 174.8 | 33.2 | -34.6 | 0 | 0 | 0 | 111 | G169 W174 N177 F228 | G169-P171 WeakPolarHBondContact O-CD 3.41Å; P171-W174 PolarHBondContact O-NE1 3Å; P171-N177 HydrophobicContact CB-CB 4.21Å; P171-N177 VanDerWaalsContact CB-CG 3.45Å; P171-N177 WeakPolarHBondContact CB-OD1 3.24Å; P171-N177 HydrophobicContact CG-CB 3.66Å; P171-N177 VanDerWaalsContact CG-CG 3.49Å; P171-F228 HydrophobicContact CG-CD2 3.88Å; P171-F228 HydrophobicContact CG-CE1 4.33Å; P171-F228 HydrophobicContact CG-CE2 3.48Å; P171-F228 VanDerWaalsContact CG-CE2 3.48Å; P171-F228 HydrophobicContact CG-CG 4.46Å; P171-F228 HydrophobicContact CG-CZ 3.74Å |
| 172 | I | 92.7 | Very high | 96.7 | Very high | 119 Ų | 119 | 28.9 Ų | 28.9 | 61% | 0.61 | 13% | 0.134 | S | C | * | . | S | Bend | trans | -82.3 | 151 | 161.9 | -60.1 | 172.5 | 0 | 0 | 0 | 107.4 | Q112 N177 | Q112-I172 HydrophobicContact CG-CD1 4.42Å; Q112-I172 HydrophobicContact CG-CG1 4.06Å; I172-N177 PolarHBondContact O-ND2 3.2Å |
| 173 | R | 93.4 | Very high | 96.6 | Very high | 95 Ų | 95 | 28.9 Ų | 28.9 | 36% | 0.358 | 13% | 0.134 | S | C | . | . | trans | 60.4 | 71.5 | -178.3 | -72.4 | 169.2 | 50.7 | -146.6 | -25.6 | 112.3 | D141 R147 E175 T176 N177 | D141-R173 IonicContact OD2-NH2 2.59Å; D141-R173 PolarHBondContact OD2-NH2 3.03Å; R147-R173 VanDerWaalsContact NH2-NE 3.13Å; R173-E175 VanDerWaalsContact CA-OE2 3.26Å; R173-E175 WeakPolarHBondContact CA-OE2 3.25Å; R173-E175 VanDerWaalsContact CB-OE1 3.24Å; R173-E175 WeakPolarHBondContact CB-OE1 3.48Å; R173-E175 WeakPolarHBondContact CG-OE1 3Å; R173-E175 IonicContact NE-OE1 3.58Å; R173-E175 PolarHBondContact O-N 3.48Å; R173-T176 PolarHBondContact NH2-OG1 2.83Å; R173-T176 PolarHBondContact O-N 3.11Å; R173-N177 PolarHBondContact O-N 3.36Å; R173-N177 PolarHBondContact O-ND2 2.93Å | ||
| 174 | W | 96 | Very high | 96.6 | Very high | 70 Ų | 70 | 24.6 Ų | 24.6 | 27% | 0.265 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -59.9 | -34.5 | -178.4 | -73.5 | 21.7 | 0 | 0 | 0 | 111.4 | E170 P171 T176 N177 L178 M227 F228 | E170-W174 HydrophobicContact CB-CZ2 4.48Å; P171-W174 PolarHBondContact O-NE1 3Å; W174-T176 PolarHBondContact O-N 2.94Å; W174-N177 PolarHBondContact O-N 3.49Å; W174-L178 HydrophobicContact CB-CD1 4.23Å; W174-L178 WeakPolarHBondContact O-CB 3.34Å; W174-L178 WeakPolarHBondContact O-CD1 3.26Å; W174-L178 WeakPolarHBondContact O-CG 3.46Å; W174-L178 PolarHBondContact O-N 3.35Å; W174-M227 HydrophobicContact CH2-CB 3.91Å; W174-M227 HydrophobicContact CH2-CG 3.8Å; W174-M227 HydrophobicContact CZ3-CG 4.01Å; W174-F228 HydrophobicContact CB-CD2 4.32Å; W174-F228 HydrophobicContact CB-CE2 4.4Å; W174-F228 HydrophobicContact CD2-CB 4.37Å; W174-F228 AromaticContact CD2-CD2 3.69Å; W174-F228 HydrophobicContact CD2-CD2 3.69Å; W174-F228 AromaticContact CE2-CD2 3.93Å; W174-F228 HydrophobicContact CE3-CB 4.38Å; W174-F228 HydrophobicContact CE3-CD2 4.06Å; W174-F228 AromaticContact CG-CD2 3.79Å; W174-F228 HydrophobicContact CG-CD2 3.79Å; W174-F228 HydrophobicContact CG-CE2 4.27Å; W174-F228 HydrophobicContact CH2-CB 3.86Å; W174-F228 HydrophobicContact CZ2-CB 3.81Å; W174-F228 HydrophobicContact CZ3-CB 4.14Å |
| 175 | E | 94.9 | Very high | 96.5 | Very high | 68 Ų | 68 | 24.8 Ų | 24.8 | 32% | 0.318 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -57.1 | -50.2 | 179.6 | 73 | -64.4 | 162.6 | 0 | 0 | 112.6 | V143 R147 R173 Q179 | V143-E175 HydrophobicContact CB-CB 4.27Å; V143-E175 HydrophobicContact CB-CG 3.93Å; V143-E175 HydrophobicContact CG1-CB 3.91Å; V143-E175 HydrophobicContact CG1-CG 3.74Å; V143-E175 HydrophobicContact CG2-CB 4.47Å; R147-E175 IonicContact NH2-OE1 3.52Å; R173-E175 VanDerWaalsContact CA-OE2 3.26Å; R173-E175 WeakPolarHBondContact CA-OE2 3.25Å; R173-E175 VanDerWaalsContact CB-OE1 3.24Å; R173-E175 WeakPolarHBondContact CB-OE1 3.48Å; R173-E175 WeakPolarHBondContact CG-OE1 3Å; R173-E175 IonicContact NE-OE1 3.58Å; R173-E175 PolarHBondContact O-N 3.48Å; E175-Q179 WeakPolarHBondContact O-CB 3.44Å; E175-Q179 PolarHBondContact O-N 2.95Å; E175-Q179 VanDerWaalsContact O-N 3.11Å |
| 176 | T | 94.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 24.9 Ų | 24.9 | 3% | 0.025 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -73.5 | -36.9 | 178.4 | -26.3 | 0 | 0 | 0 | 0 | 111.8 | D141 R147 R173 W174 Q179 L180 | D141-T176 WeakPolarHBondContact OD1-CB 3.45Å; D141-T176 PolarHBondContact OD1-OG1 3.35Å; D141-T176 WeakPolarHBondContact OD2-CB 3.21Å; D141-T176 PolarHBondContact OD2-OG1 2.89Å; D141-T176 VanDerWaalsContact OD2-OG1 3.09Å; R147-T176 PolarHBondContact NH2-OG1 2.84Å; R173-T176 PolarHBondContact NH2-OG1 2.83Å; R173-T176 PolarHBondContact O-N 3.11Å; W174-T176 PolarHBondContact O-N 2.94Å; T176-Q179 PolarHBondContact O-N 2.88Å; T176-L180 HydrophobicContact CG2-CD1 4.22Å; T176-L180 WeakPolarHBondContact O-CB 3.12Å; T176-L180 VanDerWaalsContact O-CG 3.29Å; T176-L180 WeakPolarHBondContact O-CG 3.41Å; T176-L180 PolarHBondContact O-N 3.06Å |
| 177 | N | 97.6 | Very high | 96.2 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 5% | 0.048 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | -179.4 | -82.3 | -97.5 | 0 | 0 | 0 | 111.3 | S110 M130 P171 I172 R173 W174 I181 F228 | S110-N177 PolarHBondContact OG-OD1 3.15Å; M130-N177 HydrophobicContact CE-CB 4.32Å; M130-N177 WeakPolarHBondContact CG-OD1 3.34Å; P171-N177 HydrophobicContact CB-CB 4.21Å; P171-N177 VanDerWaalsContact CB-CG 3.45Å; P171-N177 WeakPolarHBondContact CB-OD1 3.24Å; P171-N177 HydrophobicContact CG-CB 3.66Å; P171-N177 VanDerWaalsContact CG-CG 3.49Å; I172-N177 PolarHBondContact O-ND2 3.2Å; R173-N177 PolarHBondContact O-N 3.36Å; R173-N177 PolarHBondContact O-ND2 2.93Å; W174-N177 PolarHBondContact O-N 3.49Å; N177-I181 VanDerWaalsContact O-CB 3.24Å; N177-I181 WeakPolarHBondContact O-CB 3.34Å; N177-I181 VanDerWaalsContact O-CD1 3.3Å; N177-I181 WeakPolarHBondContact O-CD1 3.44Å; N177-I181 WeakPolarHBondContact O-CG1 3.26Å; N177-I181 PolarHBondContact O-N 2.83Å; N177-F228 HydrophobicContact CB-CE2 3.89Å; N177-F228 HydrophobicContact CB-CZ 3.87Å |
| 178 | L | 97.9 | Very high | 96.1 | Very high | 19 Ų | 19 | 28.7 Ų | 28.7 | 10% | 0.099 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 176.1 | -69.2 | 168.4 | 0 | 0 | 0 | 111 | W174 V182 F228 C231 L232 I235 | W174-L178 HydrophobicContact CB-CD1 4.23Å; W174-L178 WeakPolarHBondContact O-CB 3.34Å; W174-L178 WeakPolarHBondContact O-CD1 3.26Å; W174-L178 WeakPolarHBondContact O-CG 3.46Å; W174-L178 PolarHBondContact O-N 3.35Å; L178-V182 WeakPolarHBondContact O-CB 3.43Å; L178-V182 WeakPolarHBondContact O-CG2 3.43Å; L178-V182 PolarHBondContact O-N 3.2Å; L178-F228 HydrophobicContact CD2-CD2 4.22Å; L178-F228 HydrophobicContact CD2-CE2 3.74Å; L178-F228 HydrophobicContact CD2-CZ 3.92Å; L178-F228 HydrophobicContact CG-CD2 4.39Å; L178-F228 HydrophobicContact CG-CE2 3.75Å; L178-F228 HydrophobicContact CG-CZ 4.24Å; L178-C231 HydrophobicContact CD1-CB 4.01Å; L178-C231 HydrophobicContact CD2-CB 4.11Å; L178-L232 HydrophobicContact CD2-CB 3.69Å; L178-L232 HydrophobicContact CD2-CD1 4.16Å; L178-I235 HydrophobicContact CB-CD1 4.02Å; L178-I235 HydrophobicContact CD1-CD1 3.96Å; L178-I235 HydrophobicContact CD2-CD1 4.22Å; L178-I235 HydrophobicContact CG-CD1 4.29Å |
| 179 | Q | 96.4 | Very high | 96 | Very high | 67 Ų | 67 | 28.8 Ų | 28.8 | 31% | 0.313 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -58 | -55.8 | 178.8 | 179.4 | 57.9 | 62.2 | 0 | 0 | 111.5 | L140 E175 T176 I181 V182 D183 Y195 | L140-Q179 VanDerWaalsContact O-CG 3.29Å; L140-Q179 WeakPolarHBondContact O-CG 3.18Å; E175-Q179 WeakPolarHBondContact O-CB 3.44Å; E175-Q179 PolarHBondContact O-N 2.95Å; E175-Q179 VanDerWaalsContact O-N 3.11Å; T176-Q179 PolarHBondContact O-N 2.88Å; Q179-I181 PolarHBondContact O-N 3.32Å; Q179-V182 PolarHBondContact O-N 3.1Å; Q179-D183 VanDerWaalsContact NE2-CG 3.29Å; Q179-D183 PolarHBondContact NE2-OD1 3.48Å; Q179-D183 PolarHBondContact NE2-OD2 2.81Å; Q179-D183 VanDerWaalsContact O-CG 3.27Å; Q179-D183 PolarHBondContact O-N 3.34Å; Q179-D183 VanDerWaalsContact O-OD2 3.09Å; Q179-Y195 PolarHBondContact NE2-OH 3.07Å |
| 180 | L | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.3 | -35.7 | -174.8 | -66.9 | -179.6 | 0 | 0 | 0 | 113.1 | M130 L133 L140 T176 V182 D183 V184 | M130-L180 HydrophobicContact CE-CB 3.55Å; M130-L180 HydrophobicContact CE-CD1 3.89Å; M130-L180 HydrophobicContact CE-CG 4.32Å; L133-L180 HydrophobicContact CD2-CB 3.98Å; L133-L180 HydrophobicContact CD2-CD1 4.41Å; L140-L180 HydrophobicContact CB-CD2 3.53Å; L140-L180 HydrophobicContact CD1-CD2 4.28Å; T176-L180 HydrophobicContact CG2-CD1 4.22Å; T176-L180 WeakPolarHBondContact O-CB 3.12Å; T176-L180 VanDerWaalsContact O-CG 3.29Å; T176-L180 WeakPolarHBondContact O-CG 3.41Å; T176-L180 PolarHBondContact O-N 3.06Å; L180-V182 VanDerWaalsContact C-N 3.34Å; L180-D183 PolarHBondContact O-N 2.82Å; L180-V184 WeakPolarHBondContact O-CB 3.33Å; L180-V184 VanDerWaalsContact O-CG2 3.26Å; L180-V184 WeakPolarHBondContact O-CG2 3.29Å; L180-V184 PolarHBondContact O-N 3.31Å |
| 181 | I | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -42.8 | 173.9 | -71.1 | 165.2 | 0 | 0 | 0 | 110 | L108 M130 I165 L167 N177 Q179 V184 L185 F228 L232 | L108-I181 HydrophobicContact CD2-CG1 4.44Å; M130-I181 HydrophobicContact CE-CG1 4.25Å; M130-I181 HydrophobicContact SD-CG1 4.33Å; I165-I181 HydrophobicContact CD1-CG2 3.94Å; L167-I181 HydrophobicContact CD2-CD1 3.7Å; N177-I181 VanDerWaalsContact O-CB 3.24Å; N177-I181 WeakPolarHBondContact O-CB 3.34Å; N177-I181 VanDerWaalsContact O-CD1 3.3Å; N177-I181 WeakPolarHBondContact O-CD1 3.44Å; N177-I181 WeakPolarHBondContact O-CG1 3.26Å; N177-I181 PolarHBondContact O-N 2.83Å; Q179-I181 PolarHBondContact O-N 3.32Å; I181-V184 PolarHBondContact O-N 3.21Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.45Å; I181-L185 WeakPolarHBondContact O-CB 3.48Å; I181-L185 VanDerWaalsContact O-CG 3.29Å; I181-L185 WeakPolarHBondContact O-CG 3.41Å; I181-L185 PolarHBondContact O-N 3.48Å; I181-F228 HydrophobicContact CD1-CE1 4.14Å; I181-F228 HydrophobicContact CD1-CZ 3.89Å; I181-L232 HydrophobicContact CB-CD1 4.25Å; I181-L232 HydrophobicContact CG2-CD1 3.67Å; I181-L232 HydrophobicContact CG2-CD2 3.81Å; I181-L232 HydrophobicContact CG2-CG 4.39Å |
| 182 | V | 97.1 | Very high | 95.3 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.2 | -43.7 | 176 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | L178 Q179 L180 V184 L185 L186 L232 I235 L239 | L178-V182 WeakPolarHBondContact O-CB 3.43Å; L178-V182 WeakPolarHBondContact O-CG2 3.43Å; L178-V182 PolarHBondContact O-N 3.2Å; Q179-V182 PolarHBondContact O-N 3.1Å; L180-V182 VanDerWaalsContact C-N 3.34Å; V182-V184 VanDerWaalsContact C-N 3.29Å; V182-V184 PolarHBondContact O-N 3.36Å; V182-L185 PolarHBondContact O-N 3.44Å; V182-L186 HydrophobicContact CG1-CD1 3.68Å; V182-L186 HydrophobicContact CG1-CG 4.12Å; V182-L186 WeakPolarHBondContact O-CB 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.18Å; V182-L186 PolarHBondContact O-N 3.21Å; V182-L232 HydrophobicContact CG2-CD1 3.81Å; V182-I235 HydrophobicContact CG2-CG2 3.8Å; V182-L239 HydrophobicContact CG1-CD1 3.54Å |
| 183 | D | 96.8 | Very high | 95.1 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.011 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.3 | -48.5 | 174.5 | -70.2 | -42.6 | 0 | 0 | 0 | 110.9 | L140 Q179 L180 L186 T187 P191 Y195 | L140-D183 HydrophobicContact CD1-CB 4.46Å; Q179-D183 VanDerWaalsContact NE2-CG 3.29Å; Q179-D183 PolarHBondContact NE2-OD1 3.48Å; Q179-D183 PolarHBondContact NE2-OD2 2.81Å; Q179-D183 VanDerWaalsContact O-CG 3.27Å; Q179-D183 PolarHBondContact O-N 3.34Å; Q179-D183 VanDerWaalsContact O-OD2 3.09Å; L180-D183 PolarHBondContact O-N 2.82Å; D183-L186 PolarHBondContact O-N 2.95Å; D183-T187 VanDerWaalsContact O-CB 3.32Å; D183-T187 WeakPolarHBondContact O-CB 3.34Å; D183-T187 VanDerWaalsContact O-CG2 3.24Å; D183-T187 WeakPolarHBondContact O-CG2 3.48Å; D183-T187 PolarHBondContact O-N 3.3Å; D183-T187 PolarHBondContact O-OG1 3.32Å; D183-P191 HydrophobicContact CB-CB 3.93Å; D183-Y195 HydrophobicContact CB-CE1 4.41Å; D183-Y195 WeakPolarHBondContact OD1-CE1 3.29Å; D183-Y195 PolarHBondContact OD1-OH 2.82Å |
| 184 | V | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.5 | -40.1 | -179.7 | 164.8 | 0 | 0 | 0 | 0 | 111.9 | L108 L133 I162 I165 L180 I181 V182 N188 G189 P191 M203 | L108-V184 HydrophobicContact CD2-CB 4.33Å; L108-V184 HydrophobicContact CD2-CG1 4.2Å; L108-V184 HydrophobicContact CD2-CG2 4.06Å; L133-V184 HydrophobicContact CD2-CG2 3.65Å; I162-V184 HydrophobicContact CB-CG1 4.28Å; I162-V184 HydrophobicContact CD1-CG1 4.06Å; I162-V184 HydrophobicContact CD1-CG2 3.76Å; I162-V184 HydrophobicContact CG2-CG1 3.98Å; I165-V184 HydrophobicContact CD1-CB 4.48Å; I165-V184 HydrophobicContact CD1-CG1 3.82Å; I165-V184 HydrophobicContact CG1-CG1 4.17Å; L180-V184 WeakPolarHBondContact O-CB 3.33Å; L180-V184 VanDerWaalsContact O-CG2 3.26Å; L180-V184 WeakPolarHBondContact O-CG2 3.29Å; L180-V184 PolarHBondContact O-N 3.31Å; I181-V184 PolarHBondContact O-N 3.21Å; V182-V184 VanDerWaalsContact C-N 3.29Å; V182-V184 PolarHBondContact O-N 3.36Å; V184-N188 PolarHBondContact O-N 2.96Å; V184-G189 PolarHBondContact O-N 3.11Å; V184-P191 HydrophobicContact CG2-CB 3.98Å; V184-P191 HydrophobicContact CG2-CG 3.79Å; V184-M203 HydrophobicContact CG1-CE 3.33Å |
| 185 | L | 97.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 2% | 0.021 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -45.9 | 175.9 | -74.5 | 168.4 | 0 | 0 | 0 | 112.2 | I165 I181 V182 T187 N188 Q202 V205 Y236 L244 | I165-L185 HydrophobicContact CD1-CD2 3.89Å; I165-L185 HydrophobicContact CD1-CG 3.85Å; I181-L185 HydrophobicContact CG2-CD1 3.95Å; I181-L185 HydrophobicContact CG2-CG 4.45Å; I181-L185 WeakPolarHBondContact O-CB 3.48Å; I181-L185 VanDerWaalsContact O-CG 3.29Å; I181-L185 WeakPolarHBondContact O-CG 3.41Å; I181-L185 PolarHBondContact O-N 3.48Å; V182-L185 PolarHBondContact O-N 3.44Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.07Å; L185-N188 PolarHBondContact O-N 2.95Å; L185-Q202 HydrophobicContact CD2-CG 4.38Å; L185-V205 HydrophobicContact CD2-CG2 3.78Å; L185-Y236 HydrophobicContact CB-CD2 4.42Å; L185-Y236 HydrophobicContact CB-CE2 4.12Å; L185-Y236 HydrophobicContact CD1-CD2 3.99Å; L185-Y236 HydrophobicContact CD1-CE2 4.28Å; L185-L244 HydrophobicContact CD1-CD1 3.69Å; L185-L244 HydrophobicContact CD2-CD1 4.4Å |
| 186 | L | 96.1 | Very high | 94.6 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -79 | -12 | -175.3 | -62.8 | -175.9 | 0 | 0 | 0 | 113.7 | V182 D183 Y195 D196 Y236 L239 T240 | V182-L186 HydrophobicContact CG1-CD1 3.68Å; V182-L186 HydrophobicContact CG1-CG 4.12Å; V182-L186 WeakPolarHBondContact O-CB 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.18Å; V182-L186 PolarHBondContact O-N 3.21Å; D183-L186 PolarHBondContact O-N 2.95Å; L186-Y195 HydrophobicContact CB-CD1 3.83Å; L186-Y195 HydrophobicContact CB-CD2 4.27Å; L186-Y195 HydrophobicContact CB-CE1 4.29Å; L186-Y195 HydrophobicContact CB-CG 3.81Å; L186-Y195 HydrophobicContact CD1-CD1 4.44Å; L186-Y195 HydrophobicContact CD1-CD2 3.5Å; L186-Y195 HydrophobicContact CD1-CE2 3.6Å; L186-Y195 HydrophobicContact CD1-CG 3.94Å; L186-D196 PolarHBondContact O-N 2.81Å; L186-Y236 HydrophobicContact CD2-CD2 4.46Å; L186-Y236 HydrophobicContact CD2-CE2 4.02Å; L186-L239 HydrophobicContact CD1-CB 4.43Å; L186-L239 HydrophobicContact CD1-CD1 4.06Å; L186-T240 HydrophobicContact CD2-CG2 3.37Å |
| 187 | T | 95.6 | Very high | 94.1 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 8% | 0.08 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | 7.8 | 176.2 | 60.8 | 0 | 0 | 0 | 0 | 113.2 | D183 L185 G189 R190 P191 C193 Y195 | D183-T187 VanDerWaalsContact O-CB 3.32Å; D183-T187 WeakPolarHBondContact O-CB 3.34Å; D183-T187 VanDerWaalsContact O-CG2 3.24Å; D183-T187 WeakPolarHBondContact O-CG2 3.48Å; D183-T187 PolarHBondContact O-N 3.3Å; D183-T187 PolarHBondContact O-OG1 3.32Å; L185-T187 VanDerWaalsContact C-N 3.29Å; L185-T187 PolarHBondContact O-N 3.07Å; T187-G189 VanDerWaalsContact C-N 3.28Å; T187-G189 PolarHBondContact O-N 2.73Å; T187-R190 VanDerWaalsContact CB-C 3.47Å; T187-R190 WeakPolarHBondContact CB-O 3.24Å; T187-R190 PolarHBondContact O-N 3.25Å; T187-R190 PolarHBondContact OG1-N 3.44Å; T187-R190 PolarHBondContact OG1-O 3.02Å; T187-P191 WeakPolarHBondContact OG1-CA 3.35Å; T187-C193 HydrophobicContact CG2-CB 4.36Å; T187-C193 VanDerWaalsContact CG2-O 3.24Å; T187-C193 WeakPolarHBondContact CG2-O 3.5Å; T187-Y195 HydrophobicContact CG2-CD1 3.92Å; T187-Y195 HydrophobicContact CG2-CE1 4.44Å |
| 188 | N | 95.6 | Very high | 93.4 | Very high | 66 Ų | 66 | 49.2 Ų | 49.2 | 35% | 0.353 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 46.6 | -176.7 | -166.3 | 27.9 | 0 | 0 | 0 | 112.7 | Q161 V184 L185 L199 | Q161-N188 PolarHBondContact NE2-O 3.49Å; V184-N188 PolarHBondContact O-N 2.96Å; L185-N188 PolarHBondContact O-N 2.95Å; N188-L199 HydrophobicContact CB-CD1 4.06Å; N188-L199 HydrophobicContact CB-CD2 4.13Å |
| 189 | G | 96 | Very high | 92.6 | Very high | 2 Ų | 2 | 50 Ų | 50 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | S | Bend | trans | 86.5 | 13.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | I162 V184 T187 | I162-G189 PolarHBondContact N-O 3.26Å; I162-G189 VanDerWaalsContact N-O 3.1Å; I162-G189 WeakPolarHBondContact O-CA 3.14Å; V184-G189 PolarHBondContact O-N 3.11Å; T187-G189 VanDerWaalsContact C-N 3.28Å; T187-G189 PolarHBondContact O-N 2.73Å |
| 190 | R | 94.4 | Very high | 91.8 | Very high | 140 Ų | 140 | 53 Ų | 53 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | trans | -130.2 | 69.7 | -178.7 | -60.3 | -174.9 | -176.9 | -169 | 0.7 | 111.3 | Q161 T187 G192 C193 | Q161-R190 HydrophobicContact CB-CG 4.42Å; Q161-R190 HydrophobicContact CG-CG 4Å; Q161-R190 VanDerWaalsContact OE1-NE 3.09Å; T187-R190 VanDerWaalsContact CB-C 3.47Å; T187-R190 WeakPolarHBondContact CB-O 3.24Å; T187-R190 PolarHBondContact O-N 3.25Å; T187-R190 PolarHBondContact OG1-N 3.44Å; T187-R190 PolarHBondContact OG1-O 3.02Å; R190-G192 PolarHBondContact O-N 3.25Å; R190-C193 HydrophobicContact CB-CB 4.44Å; R190-C193 VanDerWaalsContact O-CB 3.31Å; R190-C193 WeakPolarHBondContact O-CB 3.45Å; R190-C193 PolarHBondContact O-N 3.3Å | ||
| 191 | P | 89.8 | Confident | 91.3 | Very high | 9 Ų | 9 | 56.1 Ų | 56.1 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -8.2 | -167.6 | 24.9 | -33.7 | 0 | 0 | 0 | 115.4 | L133 L140 D183 V184 T187 C193 | L133-P191 HydrophobicContact CD1-CG 3.46Å; L133-P191 VanDerWaalsContact CD1-CG 3.46Å; L140-P191 HydrophobicContact CD1-CB 3.68Å; L140-P191 WeakPolarHBondContact CD1-O 3.3Å; D183-P191 HydrophobicContact CB-CB 3.93Å; V184-P191 HydrophobicContact CG2-CB 3.98Å; V184-P191 HydrophobicContact CG2-CG 3.79Å; T187-P191 WeakPolarHBondContact OG1-CA 3.35Å; P191-C193 VanDerWaalsContact C-N 3.3Å |
| 192 | G | 85.4 | Confident | 91.1 | Very high | 60 Ų | 60 | 58.5 Ų | 58.5 | 62% | 0.619 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -3.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R190 | R190-G192 PolarHBondContact O-N 3.25Š|
| 193 | C | 88.9 | Confident | 91.1 | Very high | 71 Ų | 71 | 58.7 Ų | 58.7 | 48% | 0.48 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -93.5 | 163.6 | 178.4 | -64.4 | 0 | 0 | 0 | 0 | 112 | T187 R190 P191 | T187-C193 HydrophobicContact CG2-CB 4.36Å; T187-C193 VanDerWaalsContact CG2-O 3.24Å; T187-C193 WeakPolarHBondContact CG2-O 3.5Å; R190-C193 HydrophobicContact CB-CB 4.44Å; R190-C193 VanDerWaalsContact O-CB 3.31Å; R190-C193 WeakPolarHBondContact O-CB 3.45Å; R190-C193 PolarHBondContact O-N 3.3Å; P191-C193 VanDerWaalsContact C-N 3.3Å |
| 194 | V | 90.4 | Very high | 91.1 | Very high | 137 Ų | 137 | 59.9 Ų | 59.9 | 83% | 0.83 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -67 | 143 | 171.5 | -177.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 195 | Y | 92.8 | Very high | 91.2 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 37% | 0.373 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 141.1 | 175.2 | -68.3 | -4.1 | 0 | 0 | 0 | 112.4 | Q179 D183 L186 T187 | Q179-Y195 PolarHBondContact NE2-OH 3.07Å; D183-Y195 HydrophobicContact CB-CE1 4.41Å; D183-Y195 WeakPolarHBondContact OD1-CE1 3.29Å; D183-Y195 PolarHBondContact OD1-OH 2.82Å; L186-Y195 HydrophobicContact CB-CD1 3.83Å; L186-Y195 HydrophobicContact CB-CD2 4.27Å; L186-Y195 HydrophobicContact CB-CE1 4.29Å; L186-Y195 HydrophobicContact CB-CG 3.81Å; L186-Y195 HydrophobicContact CD1-CD1 4.44Å; L186-Y195 HydrophobicContact CD1-CD2 3.5Å; L186-Y195 HydrophobicContact CD1-CE2 3.6Å; L186-Y195 HydrophobicContact CD1-CG 3.94Å; T187-Y195 HydrophobicContact CG2-CD1 3.92Å; T187-Y195 HydrophobicContact CG2-CE1 4.44Å |
| 196 | D | 90.7 | Very high | 91.2 | Very high | 72 Ų | 72 | 59.7 Ų | 59.7 | 39% | 0.385 | 33% | 0.333 | S | S | . | . | trans | -121.1 | 103.7 | 167.2 | -176.8 | 4.1 | 0 | 0 | 0 | 109.6 | L186 R198 L199 | L186-D196 PolarHBondContact O-N 2.81Å; D196-R198 PolarHBondContact O-N 3.36Å; D196-R198 WeakPolarHBondContact OD1-CA 3.33Å; D196-R198 WeakPolarHBondContact OD1-CB 3.33Å; D196-R198 PolarHBondContact OD1-N 2.85Å; D196-L199 HydrophobicContact CB-CD2 4.18Å; D196-L199 HydrophobicContact CB-CG 4.01Å; D196-L199 WeakPolarHBondContact O-CD1 3.29Å; D196-L199 WeakPolarHBondContact O-CG 3.32Å | ||
| 197 | T | 83.1 | Confident | 91.3 | Very high | 63 Ų | 63 | 59.6 Ų | 59.6 | 39% | 0.387 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -2.1 | 176.5 | 57.4 | 0 | 0 | 0 | 0 | 113 | ||
| 198 | R | 83 | Confident | 91.4 | Very high | 208 Ų | 208 | 59 Ų | 59 | 79% | 0.785 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | 5.8 | -177.4 | -58.3 | -179.3 | -177.4 | 178.6 | 1.3 | 113.2 | D196 S200 | D196-R198 PolarHBondContact O-N 3.36Å; D196-R198 WeakPolarHBondContact OD1-CA 3.33Å; D196-R198 WeakPolarHBondContact OD1-CB 3.33Å; D196-R198 PolarHBondContact OD1-N 2.85Å; R198-S200 PolarHBondContact O-N 3.19Å |
| 199 | L | 81.8 | Confident | 91.2 | Very high | 37 Ų | 37 | 56.4 Ų | 56.4 | 19% | 0.194 | 32% | 0.315 | C | S | . | . | trans | -43.9 | 129.3 | 174.8 | -69.4 | 170 | 0 | 0 | 0 | 111 | N188 D196 A201 R242 | N188-L199 HydrophobicContact CB-CD1 4.06Å; N188-L199 HydrophobicContact CB-CD2 4.13Å; D196-L199 HydrophobicContact CB-CD2 4.18Å; D196-L199 HydrophobicContact CB-CG 4.01Å; D196-L199 WeakPolarHBondContact O-CD1 3.29Å; D196-L199 WeakPolarHBondContact O-CG 3.32Å; L199-A201 VanDerWaalsContact C-N 3.34Å; L199-R242 PolarHBondContact O-NH1 2.85Å | ||
| 200 | S | 78.9 | Confident | 91 | Very high | 129 Ų | 129 | 58.9 Ų | 58.9 | 90% | 0.902 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -73.2 | -28.4 | -176.6 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | R198 | R198-S200 PolarHBondContact O-N 3.19Š|
| 201 | A | 88.6 | Confident | 90.8 | Very high | 66 Ų | 66 | 53.2 Ų | 53.2 | 55% | 0.545 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -131.3 | 137.8 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | L199 | L199-A201 VanDerWaalsContact C-N 3.34Š|
| 202 | Q | 93.8 | Very high | 90.9 | Very high | 49 Ų | 49 | 55.7 Ų | 55.7 | 23% | 0.229 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 140.4 | 172.4 | -163.9 | -165 | -82.6 | 0 | 0 | 109.9 | L185 E245 | L185-Q202 HydrophobicContact CD2-CG 4.38Å; Q202-E245 PolarHBondContact NE2-O 3.48Å |
| 203 | M | 95.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 4% | 0.039 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 141.7 | 169.3 | -175.5 | 172.7 | 57.1 | 0 | 0 | 110.3 | I162 Q163 I165 V184 V205 | I162-M203 HydrophobicContact CG2-CE 4.1Å; I162-M203 HydrophobicContact CG2-SD 4.08Å; I162-M203 VanDerWaalsContact O-SD 3.35Å; Q163-M203 WeakPolarHBondContact O-CG 3.4Å; I165-M203 HydrophobicContact CD1-CE 3.75Å; I165-M203 HydrophobicContact CG1-CE 3.61Å; V184-M203 HydrophobicContact CG1-CE 3.33Å; M203-V205 PolarHBondContact O-N 3.05Å |
| 204 | P | 98.1 | Very high | 90.8 | Very high | 27 Ų | 27 | 58.3 Ų | 58.3 | 18% | 0.175 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 134.1 | 179.6 | -27.7 | 36.2 | 0 | 0 | 0 | 113.4 | F102 A164 I165 E247 | F102-P204 HydrophobicContact CE1-CB 3.63Å; F102-P204 HydrophobicContact CE1-CG 3.97Å; F102-P204 HydrophobicContact CZ-CB 4.06Å; F102-P204 HydrophobicContact CZ-CG 4.36Å; A164-P204 WeakPolarHBondContact CA-O 3.42Å; A164-P204 HydrophobicContact CB-CB 4.15Å; I165-P204 PolarHBondContact N-O 3.45Å; P204-E247 HydrophobicContact CB-CB 3.99Å; P204-E247 HydrophobicContact CB-CG 4.23Å |
| 205 | V | 98.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 125.7 | 172.6 | -174.5 | 0 | 0 | 0 | 0 | 109 | I165 L167 L185 M203 Y246 E247 | I165-V205 HydrophobicContact CB-CG1 4.47Å; I165-V205 HydrophobicContact CB-CG2 4.44Å; L167-V205 HydrophobicContact CD1-CG1 3.78Å; L167-V205 HydrophobicContact CG-CG1 4.18Å; L185-V205 HydrophobicContact CD2-CG2 3.78Å; M203-V205 PolarHBondContact O-N 3.05Å; V205-Y246 HydrophobicContact CB-CD1 4.07Å; V205-Y246 HydrophobicContact CB-CE1 4.47Å; V205-Y246 HydrophobicContact CG1-CD1 3.76Å; V205-Y246 HydrophobicContact CG1-CE1 3.79Å; V205-E247 PolarHBondContact O-N 2.95Å |
| 206 | L | 98.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 107.9 | 178.8 | -53.3 | -179.3 | 0 | 0 | 0 | 108.5 | L96 M99 F102 I165 I166 L167 E247 A248 | L96-L206 HydrophobicContact CD2-CB 4.25Å; L96-L206 HydrophobicContact CD2-CD1 3.75Å; M99-L206 HydrophobicContact CE-CD1 4.23Å; M99-L206 HydrophobicContact CE-CD2 3.67Å; M99-L206 HydrophobicContact SD-CD1 4.37Å; M99-L206 HydrophobicContact SD-CD2 4.39Å; F102-L206 HydrophobicContact CD1-CD1 4.26Å; F102-L206 HydrophobicContact CG-CD1 4.22Å; I165-L206 PolarHBondContact O-N 3.35Å; I166-L206 HydrophobicContact CG1-CD1 4.24Å; L167-L206 PolarHBondContact N-O 2.97Å; L206-E247 HydrophobicContact CD2-CB 3.88Å; L206-E247 HydrophobicContact CD2-CG 4.08Å; L206-A248 HydrophobicContact CD2-CB 3.73Å |
| 207 | A | 97.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 124.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | M210 L229 Y246 A248 L250 | A207-M210 HydrophobicContact CB-SD 4.2Å; A207-L229 HydrophobicContact CB-CD1 3.99Å; A207-L229 HydrophobicContact CB-CD2 4.42Å; A207-Y246 HydrophobicContact CB-CD1 3.68Å; A207-Y246 HydrophobicContact CB-CE1 3.76Å; A207-Y246 HydrophobicContact CB-CG 4.44Å; A207-A248 PolarHBondContact N-O 3.38Å; A207-L250 PolarHBondContact O-N 3.38Å |
| 208 | C | 97.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | trans | -90.5 | -19.2 | -173.6 | -62 | 0 | 0 | 0 | 0 | 114.1 | S92 H93 L167 L250 G251 | S92-C208 WeakPolarHBondContact CB-O 3.49Å; H93-C208 HydrophobicContact CB-CB 4.29Å; L167-C208 VanDerWaalsContact O-CB 3.24Å; L167-C208 WeakPolarHBondContact O-CB 3.45Å; L167-C208 PolarHBondContact O-N 2.92Å; L167-C208 PolarHBondContact O-SG 3.14Å; L167-C208 VanDerWaalsContact O-SG 3.36Å; C208-L250 CarbonylContact C-O 3.32Å; C208-L250 CarbonylContact O-C 3.05Å; C208-G251 WeakPolarHBondContact O-CA 3.42Å; C208-G251 PolarHBondContact O-N 2.92Å; C208-G251 VanDerWaalsContact O-N 3.12Å | ||
| 209 | N | 92.9 | Very high | 89.3 | Confident | 12 Ų | 12 | 50 Ų | 50 | 6% | 0.064 | 28% | 0.284 | C | S | . | . | trans | -147.9 | 126.6 | -176.2 | -178.1 | 9.3 | 0 | 0 | 0 | 110.8 | N63 D211 H225 | N63-N209 PolarHBondContact ND2-OD1 3.26Å; N209-D211 WeakPolarHBondContact OD1-CB 3.35Å; N209-D211 PolarHBondContact OD1-N 2.8Å; N209-D211 PolarHBondContact OD1-OD2 3.17Å; N209-H225 HydrophobicContact CB-CB 4.05Å; N209-H225 PolarHBondContact O-CD2 3.03Å | ||
| 210 | M | 91 | Very high | 89.5 | Confident | 53 Ų | 53 | 51.6 Ų | 51.6 | 26% | 0.261 | 30% | 0.299 | S | S | . | . | trans | -102.8 | 1.3 | 179 | -61.9 | -58.1 | -64.8 | 0 | 0 | 113.9 | A207 L212 G226 L229 V249 | A207-M210 HydrophobicContact CB-SD 4.2Å; M210-L212 PolarHBondContact O-N 2.9Å; M210-G226 WeakPolarHBondContact O-CA 3.37Å; M210-L229 HydrophobicContact CE-CD1 3.87Å; M210-L229 HydrophobicContact SD-CD1 3.29Å; M210-L229 WeakPolarHBondContact SD-CD1 3.45Å; M210-V249 HydrophobicContact CG-CG1 3.16Å; M210-V249 HydrophobicContact SD-CG1 3.6Å; M210-V249 VanDerWaalsContact SD-CG1 3.6Å; M210-V249 HydrophobicContact SD-CG2 4.4Å | ||
| 211 | D | 90.9 | Very high | 89.9 | Confident | 21 Ų | 21 | 48 Ų | 48 | 11% | 0.112 | 27% | 0.272 | C | S | . | . | trans | -59.7 | 110.4 | -175.3 | -68.8 | -16.5 | 0 | 0 | 0 | 110.3 | N63 N209 L213 G224 H225 G226 | N63-D211 WeakPolarHBondContact CB-OD2 3.46Å; N63-D211 PolarHBondContact ND2-OD1 3.11Å; N63-D211 VanDerWaalsContact ND2-OD1 3.1Å; N63-D211 PolarHBondContact ND2-OD2 3.4Å; N209-D211 WeakPolarHBondContact OD1-CB 3.35Å; N209-D211 PolarHBondContact OD1-N 2.8Å; N209-D211 PolarHBondContact OD1-OD2 3.17Å; D211-L213 VanDerWaalsContact C-N 3.26Å; D211-L213 PolarHBondContact O-N 3.17Å; D211-G224 CarbonylContact O-C 3.53Å; D211-G224 VanDerWaalsContact O-C 3.23Å; D211-G224 VanDerWaalsContact O-CA 3.29Å; D211-G224 WeakPolarHBondContact O-CA 3.48Å; D211-H225 PolarHBondContact O-N 3.22Å; D211-G226 PolarHBondContact O-N 3.36Å | ||
| 212 | L | 91.8 | Very high | 89.9 | Confident | 62 Ų | 62 | 50.1 Ų | 50.1 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -62.7 | -39.7 | 173.3 | -78.5 | 172.7 | 0 | 0 | 0 | 110.9 | M210 G224 | M210-L212 PolarHBondContact O-N 2.9Å; L212-G224 PolarHBondContact O-N 2.63Å |
| 213 | L | 89.3 | Confident | 89.9 | Confident | 82 Ų | 82 | 52.3 Ų | 52.3 | 43% | 0.429 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 147.8 | -176 | -60.8 | 176.3 | 0 | 0 | 0 | 110 | D211 P221 R222 L223 | D211-L213 VanDerWaalsContact C-N 3.26Å; D211-L213 PolarHBondContact O-N 3.17Å; L213-P221 HydrophobicContact CB-CB 3.87Å; L213-P221 HydrophobicContact CD1-CB 4.21Å; L213-P221 HydrophobicContact CD2-CB 4.45Å; L213-P221 HydrophobicContact CG-CB 4.41Å; L213-R222 CarbonylContact C-O 3.23Å; L213-R222 WeakPolarHBondContact CA-O 3.1Å; L213-L223 HydrophobicContact CD2-CD2 3.99Å |
| 214 | W | 83.1 | Confident | 89.7 | Confident | 103 Ų | 103 | 52 Ų | 52 | 39% | 0.39 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.9 | 172.6 | 71.2 | -78.5 | 0 | 0 | 0 | 111.9 | A216 P221 R222 L223 | W214-A216 HydrophobicContact CD2-CB 4.44Å; W214-A216 HydrophobicContact CE3-CB 4.07Å; W214-A216 HydrophobicContact CH2-CB 3.49Å; W214-A216 VanDerWaalsContact CH2-CB 3.49Å; W214-A216 HydrophobicContact CZ2-CB 3.89Å; W214-A216 HydrophobicContact CZ3-CB 3.59Å; W214-A216 PolarHBondContact O-N 2.75Å; W214-P221 CarbonylContact O-C 3.49Å; W214-P221 WeakPolarHBondContact O-CA 3.24Å; W214-R222 HydrophobicContact CZ2-CB 4.35Å; W214-R222 PolarHBondContact N-O 3.23Å; W214-R222 PolarHBondContact O-N 3.09Å; W214-L223 PolarHBondContact NE1-O 3.41Å |
| 215 | M | 80.8 | Confident | 89.6 | Confident | 82 Ų | 82 | 50.7 Ų | 50.7 | 40% | 0.404 | 27% | 0.269 | S | S | . | . | trans | -89.4 | 91 | -175.6 | -63.3 | -56.7 | -60.3 | 0 | 0 | 111.2 | G33 P221 | G33-M215 PolarHBondContact N-O 2.84Å; M215-P221 HydrophobicContact SD-CB 4.1Å; M215-P221 HydrophobicContact SD-CG 3.74Å | ||
| 216 | A | 80 | Confident | 89.4 | Confident | 8 Ų | 8 | 51 Ų | 51 | 7% | 0.066 | 27% | 0.271 | C | S | . | . | trans | -81.4 | -168.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W214 A218 R222 | W214-A216 HydrophobicContact CD2-CB 4.44Å; W214-A216 HydrophobicContact CE3-CB 4.07Å; W214-A216 HydrophobicContact CH2-CB 3.49Å; W214-A216 VanDerWaalsContact CH2-CB 3.49Å; W214-A216 HydrophobicContact CZ2-CB 3.89Å; W214-A216 HydrophobicContact CZ3-CB 3.59Å; W214-A216 PolarHBondContact O-N 2.75Å; A216-A218 VanDerWaalsContact C-N 3.28Å; A216-A218 PolarHBondContact O-N 3.2Å; A216-R222 HydrophobicContact CB-CB 4.38Å; A216-R222 HydrophobicContact CB-CG 3.44Å; A216-R222 VanDerWaalsContact CB-CG 3.44Å | ||
| 217 | E | 80.1 | Confident | 89.3 | Confident | 139 Ų | 139 | 53.3 Ų | 53.3 | 65% | 0.65 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -68.6 | -24.7 | 177.9 | -64.9 | 72.6 | -160.6 | 0 | 0 | 113.2 | G34 | G34-E217 PolarHBondContact N-OE1 2.98Š|
| 218 | A | 82.6 | Confident | 89.3 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 31% | 0.314 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -67 | 151.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A216 S220 | A216-A218 VanDerWaalsContact C-N 3.28Å; A216-A218 PolarHBondContact O-N 3.2Å; A218-S220 PolarHBondContact O-N 2.88Å |
| 219 | P | 83.4 | Confident | 89.4 | Confident | 134 Ų | 134 | 53.3 Ų | 53.3 | 87% | 0.87 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -58.3 | -34.7 | 178.5 | -26.1 | 34.7 | 0 | 0 | 0 | 113.9 | ||
| 220 | S | 87.1 | Confident | 89.6 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -101.6 | 145.5 | 178.6 | -58 | 0 | 0 | 0 | 0 | 111.1 | A218 R222 | A218-S220 PolarHBondContact O-N 2.88Å; S220-R222 PolarHBondContact O-NE 3.39Å; S220-R222 PolarHBondContact O-NH2 2.8Å |
| 221 | P | 86.8 | Confident | 89.9 | Confident | 52 Ų | 52 | 56 Ų | 56 | 34% | 0.338 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 151.2 | 176.6 | -20.6 | 28.7 | 0 | 0 | 0 | 112.7 | L213 W214 M215 | L213-P221 HydrophobicContact CB-CB 3.87Å; L213-P221 HydrophobicContact CD1-CB 4.21Å; L213-P221 HydrophobicContact CD2-CB 4.45Å; L213-P221 HydrophobicContact CG-CB 4.41Å; W214-P221 CarbonylContact O-C 3.49Å; W214-P221 WeakPolarHBondContact O-CA 3.24Å; M215-P221 HydrophobicContact SD-CB 4.1Å; M215-P221 HydrophobicContact SD-CG 3.74Å |
| 222 | R | 89.8 | Confident | 90.3 | Very high | 112 Ų | 112 | 55 Ų | 55 | 42% | 0.423 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 156.1 | 174.7 | -58.1 | -60.4 | 82.2 | -170.2 | -7.6 | 109.9 | L213 W214 A216 S220 G224 | L213-R222 CarbonylContact C-O 3.23Å; L213-R222 WeakPolarHBondContact CA-O 3.1Å; W214-R222 HydrophobicContact CZ2-CB 4.35Å; W214-R222 PolarHBondContact N-O 3.23Å; W214-R222 PolarHBondContact O-N 3.09Å; A216-R222 HydrophobicContact CB-CB 4.38Å; A216-R222 HydrophobicContact CB-CG 3.44Å; A216-R222 VanDerWaalsContact CB-CG 3.44Å; S220-R222 PolarHBondContact O-NE 3.39Å; S220-R222 PolarHBondContact O-NH2 2.8Å; R222-G224 PolarHBondContact O-N 3.4Å |
| 223 | L | 92.7 | Very high | 90.6 | Very high | 95 Ų | 95 | 54.9 Ų | 54.9 | 50% | 0.497 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 131.1 | 174.2 | -59.7 | 177.9 | 0 | 0 | 0 | 109.8 | L213 W214 M227 | L213-L223 HydrophobicContact CD2-CD2 3.99Å; W214-L223 PolarHBondContact NE1-O 3.41Å; L223-M227 HydrophobicContact CB-CB 4.21Å; L223-M227 HydrophobicContact CB-CG 4.38Å; L223-M227 HydrophobicContact CD1-CG 4.06Å; L223-M227 HydrophobicContact CD2-CB 4.23Å; L223-M227 HydrophobicContact CD2-CE 3.74Å; L223-M227 HydrophobicContact CD2-CG 3.92Å; L223-M227 HydrophobicContact CG-CG 4.33Å |
| 224 | G | 91.6 | Very high | 91 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | trans | -104.1 | -171.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D211 L212 R222 G226 M227 | D211-G224 CarbonylContact O-C 3.53Å; D211-G224 VanDerWaalsContact O-C 3.23Å; D211-G224 VanDerWaalsContact O-CA 3.29Å; D211-G224 WeakPolarHBondContact O-CA 3.48Å; L212-G224 PolarHBondContact O-N 2.63Å; R222-G224 PolarHBondContact O-N 3.4Å; G224-G226 VanDerWaalsContact C-N 3.25Å; G224-G226 PolarHBondContact O-N 2.6Å; G224-M227 PolarHBondContact O-N 3.09Å; G224-M227 VanDerWaalsContact O-N 3.14Å | ||
| 225 | H | 95.1 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.6 | -33.6 | -179.3 | -168.8 | 43 | 0 | 0 | 0 | 113.6 | L167 G169 E170 N209 D211 M227 F228 L229 | L167-H225 WeakPolarHBondContact CB-NE2 3.25Å; G169-H225 VanDerWaalsContact C-CG 3.45Å; G169-H225 PolarHBondContact O-CE1 3.47Å; G169-H225 PolarHBondContact O-ND1 3.26Å; E170-H225 WeakPolarHBondContact CA-ND1 3.34Å; E170-H225 HydrophobicContact CB-CB 4.4Å; E170-H225 PolarHBondContact N-ND1 2.71Å; E170-H225 VanDerWaalsContact N-ND1 3.11Å; N209-H225 HydrophobicContact CB-CB 4.05Å; N209-H225 PolarHBondContact O-CD2 3.03Å; D211-H225 PolarHBondContact O-N 3.22Å; H225-M227 PolarHBondContact O-N 2.83Å; H225-M227 VanDerWaalsContact O-N 3.15Å; H225-F228 AromaticContact CE1-CD1 3.62Å; H225-F228 AromaticContact ND1-CD1 3.87Å; H225-F228 WeakPolarHBondContact O-CA 3.37Å; H225-F228 VanDerWaalsContact O-CB 3.32Å; H225-F228 WeakPolarHBondContact O-CB 3.48Å; H225-F228 PolarHBondContact O-N 2.97Å; H225-L229 WeakPolarHBondContact O-CG 3.49Å; H225-L229 PolarHBondContact O-N 3.4Å |
| 226 | G | 95.5 | Very high | 92.5 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.3 | -31.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | M210 D211 G224 L229 L230 | M210-G226 WeakPolarHBondContact O-CA 3.37Å; D211-G226 PolarHBondContact O-N 3.36Å; G224-G226 VanDerWaalsContact C-N 3.25Å; G224-G226 PolarHBondContact O-N 2.6Å; G226-L229 PolarHBondContact O-N 2.91Å; G226-L230 PolarHBondContact O-N 3.29Å |
| 227 | M | 96.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 56.6 Ų | 56.6 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.1 | -37.1 | 176 | -175.9 | 60.7 | 66.1 | 0 | 0 | 111.8 | W174 L223 G224 H225 L229 L230 C231 | W174-M227 HydrophobicContact CH2-CB 3.91Å; W174-M227 HydrophobicContact CH2-CG 3.8Å; W174-M227 HydrophobicContact CZ3-CG 4.01Å; L223-M227 HydrophobicContact CB-CB 4.21Å; L223-M227 HydrophobicContact CB-CG 4.38Å; L223-M227 HydrophobicContact CD1-CG 4.06Å; L223-M227 HydrophobicContact CD2-CB 4.23Å; L223-M227 HydrophobicContact CD2-CE 3.74Å; L223-M227 HydrophobicContact CD2-CG 3.92Å; L223-M227 HydrophobicContact CG-CG 4.33Å; G224-M227 PolarHBondContact O-N 3.09Å; G224-M227 VanDerWaalsContact O-N 3.14Å; H225-M227 PolarHBondContact O-N 2.83Å; H225-M227 VanDerWaalsContact O-N 3.15Å; M227-L229 VanDerWaalsContact C-N 3.34Å; M227-L230 PolarHBondContact O-N 2.84Å; M227-L230 HydrophobicContact SD-CD2 3.98Å; M227-C231 PolarHBondContact O-N 3.27Å; M227-C231 VanDerWaalsContact O-N 3.16Å; M227-C231 PolarHBondContact O-SG 3.01Å |
| 228 | F | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 172.3 | 174.5 | -92.9 | 0 | 0 | 0 | 111.1 | P171 W174 N177 L178 I181 H225 L230 C231 L232 | P171-F228 HydrophobicContact CG-CD2 3.88Å; P171-F228 HydrophobicContact CG-CE1 4.33Å; P171-F228 HydrophobicContact CG-CE2 3.48Å; P171-F228 VanDerWaalsContact CG-CE2 3.48Å; P171-F228 HydrophobicContact CG-CG 4.46Å; P171-F228 HydrophobicContact CG-CZ 3.74Å; W174-F228 HydrophobicContact CB-CD2 4.32Å; W174-F228 HydrophobicContact CB-CE2 4.4Å; W174-F228 HydrophobicContact CD2-CB 4.37Å; W174-F228 AromaticContact CD2-CD2 3.69Å; W174-F228 HydrophobicContact CD2-CD2 3.69Å; W174-F228 AromaticContact CE2-CD2 3.93Å; W174-F228 HydrophobicContact CE3-CB 4.38Å; W174-F228 HydrophobicContact CE3-CD2 4.06Å; W174-F228 AromaticContact CG-CD2 3.79Å; W174-F228 HydrophobicContact CG-CD2 3.79Å; W174-F228 HydrophobicContact CG-CE2 4.27Å; W174-F228 HydrophobicContact CH2-CB 3.86Å; W174-F228 HydrophobicContact CZ2-CB 3.81Å; W174-F228 HydrophobicContact CZ3-CB 4.14Å; N177-F228 HydrophobicContact CB-CE2 3.89Å; N177-F228 HydrophobicContact CB-CZ 3.87Å; L178-F228 HydrophobicContact CD2-CD2 4.22Å; L178-F228 HydrophobicContact CD2-CE2 3.74Å; L178-F228 HydrophobicContact CD2-CZ 3.92Å; L178-F228 HydrophobicContact CG-CD2 4.39Å; L178-F228 HydrophobicContact CG-CE2 3.75Å; L178-F228 HydrophobicContact CG-CZ 4.24Å; I181-F228 HydrophobicContact CD1-CE1 4.14Å; I181-F228 HydrophobicContact CD1-CZ 3.89Å; H225-F228 AromaticContact CE1-CD1 3.62Å; H225-F228 AromaticContact ND1-CD1 3.87Å; H225-F228 WeakPolarHBondContact O-CA 3.37Å; H225-F228 VanDerWaalsContact O-CB 3.32Å; H225-F228 WeakPolarHBondContact O-CB 3.48Å; H225-F228 PolarHBondContact O-N 2.97Å; F228-L230 PolarHBondContact O-N 3.47Å; F228-C231 WeakPolarHBondContact O-CB 3.39Å; F228-C231 PolarHBondContact O-N 3.44Å; F228-L232 PolarHBondContact O-N 3.17Å |
| 229 | L | 97.8 | Very high | 94.7 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 176 | -61.1 | -179 | 0 | 0 | 0 | 111.7 | L167 A207 M210 H225 G226 M227 C231 L232 E233 Y246 | L167-L229 HydrophobicContact CD1-CD2 3.37Å; A207-L229 HydrophobicContact CB-CD1 3.99Å; A207-L229 HydrophobicContact CB-CD2 4.42Å; M210-L229 HydrophobicContact CE-CD1 3.87Å; M210-L229 HydrophobicContact SD-CD1 3.29Å; M210-L229 WeakPolarHBondContact SD-CD1 3.45Å; H225-L229 WeakPolarHBondContact O-CG 3.49Å; H225-L229 PolarHBondContact O-N 3.4Å; G226-L229 PolarHBondContact O-N 2.91Å; M227-L229 VanDerWaalsContact C-N 3.34Å; L229-C231 VanDerWaalsContact C-N 3.3Å; L229-C231 PolarHBondContact O-N 3.38Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 3.1Å; L229-L232 VanDerWaalsContact O-N 3.09Å; L229-E233 WeakPolarHBondContact O-CB 3.46Å; L229-E233 VanDerWaalsContact O-CG 3.28Å; L229-E233 WeakPolarHBondContact O-CG 3.34Å; L229-E233 PolarHBondContact O-N 3.3Å; L229-Y246 HydrophobicContact CD2-CE1 4.28Å |
| 230 | L | 98 | Very high | 95.2 | Very high | 79 Ų | 79 | 55.8 Ų | 55.8 | 41% | 0.414 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 175.7 | -178 | 66.2 | 0 | 0 | 0 | 112.3 | G226 M227 F228 S234 | G226-L230 PolarHBondContact O-N 3.29Å; M227-L230 PolarHBondContact O-N 2.84Å; M227-L230 HydrophobicContact SD-CD2 3.98Å; F228-L230 PolarHBondContact O-N 3.47Å; L230-S234 VanDerWaalsContact O-CB 3.3Å; L230-S234 WeakPolarHBondContact O-CB 3.45Å; L230-S234 PolarHBondContact O-N 3.44Å; L230-S234 PolarHBondContact O-OG 3.21Å |
| 231 | C | 98.1 | Very high | 95.6 | Very high | 42 Ų | 42 | 55.4 Ų | 55.4 | 28% | 0.284 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 174 | -68 | 0 | 0 | 0 | 0 | 111.4 | L178 M227 F228 L229 S234 I235 | L178-C231 HydrophobicContact CD1-CB 4.01Å; L178-C231 HydrophobicContact CD2-CB 4.11Å; M227-C231 PolarHBondContact O-N 3.27Å; M227-C231 VanDerWaalsContact O-N 3.16Å; M227-C231 PolarHBondContact O-SG 3.01Å; F228-C231 WeakPolarHBondContact O-CB 3.39Å; F228-C231 PolarHBondContact O-N 3.44Å; L229-C231 VanDerWaalsContact C-N 3.3Å; L229-C231 PolarHBondContact O-N 3.38Å; C231-S234 PolarHBondContact O-N 2.89Å; C231-I235 VanDerWaalsContact O-CG1 3.31Å; C231-I235 WeakPolarHBondContact O-CG1 3.33Å; C231-I235 PolarHBondContact O-N 3.1Å |
| 232 | L | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -48.3 | 179.3 | -179.9 | 62.5 | 0 | 0 | 0 | 112 | L167 L178 I181 V182 F228 L229 S234 I235 Y236 L244 | L167-L232 HydrophobicContact CD1-CD2 4.07Å; L178-L232 HydrophobicContact CD2-CB 3.69Å; L178-L232 HydrophobicContact CD2-CD1 4.16Å; I181-L232 HydrophobicContact CB-CD1 4.25Å; I181-L232 HydrophobicContact CG2-CD1 3.67Å; I181-L232 HydrophobicContact CG2-CD2 3.81Å; I181-L232 HydrophobicContact CG2-CG 4.39Å; V182-L232 HydrophobicContact CG2-CD1 3.81Å; F228-L232 PolarHBondContact O-N 3.17Å; L229-L232 WeakPolarHBondContact O-CB 3.42Å; L229-L232 PolarHBondContact O-N 3.1Å; L229-L232 VanDerWaalsContact O-N 3.09Å; L232-S234 VanDerWaalsContact C-N 3.29Å; L232-S234 PolarHBondContact O-N 2.63Å; L232-I235 PolarHBondContact O-N 2.92Å; L232-Y236 WeakPolarHBondContact O-CB 3.35Å; L232-Y236 PolarHBondContact O-N 2.97Å; L232-L244 HydrophobicContact CD2-CD2 3.83Å; L232-L244 HydrophobicContact CG-CD2 3.87Å |
| 233 | E | 98.4 | Very high | 96.3 | Very high | 60 Ų | 60 | 62.3 Ų | 62.3 | 28% | 0.28 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -56.8 | -44 | 175.6 | -72 | 172.7 | -169.9 | 0 | 0 | 111.5 | L229 R237 L244 Y246 | L229-E233 WeakPolarHBondContact O-CB 3.46Å; L229-E233 VanDerWaalsContact O-CG 3.28Å; L229-E233 WeakPolarHBondContact O-CG 3.34Å; L229-E233 PolarHBondContact O-N 3.3Å; E233-R237 VanDerWaalsContact O-CB 3.26Å; E233-R237 WeakPolarHBondContact O-CB 3.32Å; E233-R237 PolarHBondContact O-N 3.26Å; E233-L244 HydrophobicContact CG-CB 4.22Å; E233-L244 HydrophobicContact CG-CD2 4.18Å; E233-Y246 HydrophobicContact CG-CE2 4.41Å; E233-Y246 WeakPolarHBondContact OE1-CE2 3.34Å; E233-Y246 PolarHBondContact OE1-OH 3.05Å |
| 234 | S | 98.4 | Very high | 96.5 | Very high | 66 Ų | 66 | 58.4 Ų | 58.4 | 46% | 0.462 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -65.3 | -44.4 | -179.3 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | L230 C231 L232 K238 | L230-S234 VanDerWaalsContact O-CB 3.3Å; L230-S234 WeakPolarHBondContact O-CB 3.45Å; L230-S234 PolarHBondContact O-N 3.44Å; L230-S234 PolarHBondContact O-OG 3.21Å; C231-S234 PolarHBondContact O-N 2.89Å; L232-S234 VanDerWaalsContact C-N 3.29Å; L232-S234 PolarHBondContact O-N 2.63Å; S234-K238 WeakPolarHBondContact O-CB 3.24Å; S234-K238 PolarHBondContact O-N 3.37Å |
| 235 | I | 97.7 | Very high | 96.7 | Very high | 63 Ų | 63 | 65 Ų | 65 | 32% | 0.323 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.4 | -50.1 | 176.7 | -66.5 | 164.4 | 0 | 0 | 0 | 110 | L178 V182 C231 L232 R237 K238 L239 | L178-I235 HydrophobicContact CB-CD1 4.02Å; L178-I235 HydrophobicContact CD1-CD1 3.96Å; L178-I235 HydrophobicContact CD2-CD1 4.22Å; L178-I235 HydrophobicContact CG-CD1 4.29Å; V182-I235 HydrophobicContact CG2-CG2 3.8Å; C231-I235 VanDerWaalsContact O-CG1 3.31Å; C231-I235 WeakPolarHBondContact O-CG1 3.33Å; C231-I235 PolarHBondContact O-N 3.1Å; L232-I235 PolarHBondContact O-N 2.92Å; I235-R237 VanDerWaalsContact C-N 3.31Å; I235-R237 PolarHBondContact O-N 2.88Å; I235-K238 PolarHBondContact O-N 3.04Å; I235-K238 VanDerWaalsContact O-N 3.11Å; I235-L239 HydrophobicContact CG2-CD1 3.79Å; I235-L239 HydrophobicContact CG2-CG 4.39Å; I235-L239 WeakPolarHBondContact O-CG 3.32Å; I235-L239 PolarHBondContact O-N 3.1Å |
| 236 | Y | 97.2 | Very high | 96.8 | Very high | 17 Ų | 17 | 67.1 Ų | 67.1 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57 | -45.8 | 179.7 | -174.8 | -96.3 | 0 | 0 | 0 | 111.4 | L185 L186 L232 K238 L239 T240 R242 L244 | L185-Y236 HydrophobicContact CB-CD2 4.42Å; L185-Y236 HydrophobicContact CB-CE2 4.12Å; L185-Y236 HydrophobicContact CD1-CD2 3.99Å; L185-Y236 HydrophobicContact CD1-CE2 4.28Å; L186-Y236 HydrophobicContact CD2-CD2 4.46Å; L186-Y236 HydrophobicContact CD2-CE2 4.02Å; L232-Y236 WeakPolarHBondContact O-CB 3.35Å; L232-Y236 PolarHBondContact O-N 2.97Å; Y236-K238 PolarHBondContact O-N 3.41Å; Y236-L239 PolarHBondContact O-N 3.26Å; Y236-T240 HydrophobicContact CD2-CG2 4.17Å; Y236-T240 HydrophobicContact CE1-CG2 4.24Å; Y236-T240 HydrophobicContact CE2-CG2 3.86Å; Y236-T240 HydrophobicContact CG-CG2 4.49Å; Y236-T240 WeakPolarHBondContact O-CB 3.4Å; Y236-T240 WeakPolarHBondContact O-CG2 3.49Å; Y236-T240 PolarHBondContact O-N 2.45Å; Y236-T240 PolarHBondContact O-OG1 2.98Å; Y236-R242 HydrophobicContact CE1-CB 4.31Å; Y236-L244 HydrophobicContact CD1-CB 3.79Å; Y236-L244 HydrophobicContact CD1-CD1 4.06Å; Y236-L244 HydrophobicContact CD2-CD1 4.06Å; Y236-L244 HydrophobicContact CE1-CB 4.42Å; Y236-L244 HydrophobicContact CE1-CD1 4.3Å; Y236-L244 HydrophobicContact CE2-CD1 4.32Å; Y236-L244 HydrophobicContact CG-CB 4.16Å; Y236-L244 HydrophobicContact CG-CD1 3.92Å |
| 237 | R | 97 | Very high | 96.9 | Very high | 164 Ų | 164 | 72.6 Ų | 72.6 | 62% | 0.619 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64 | -39.5 | 176.6 | -175.1 | 179 | -179.6 | -174.9 | 0.2 | 112.8 | E233 I235 L239 G241 R242 | E233-R237 VanDerWaalsContact O-CB 3.26Å; E233-R237 WeakPolarHBondContact O-CB 3.32Å; E233-R237 PolarHBondContact O-N 3.26Å; I235-R237 VanDerWaalsContact C-N 3.31Å; I235-R237 PolarHBondContact O-N 2.88Å; R237-L239 VanDerWaalsContact C-N 3.32Å; R237-L239 PolarHBondContact O-N 3.25Å; R237-G241 WeakPolarHBondContact O-CA 3.17Å; R237-G241 PolarHBondContact O-N 3.42Å; R237-R242 WeakPolarHBondContact CA-O 3.26Å; R237-R242 WeakPolarHBondContact CB-O 3.37Å |
| 238 | K | 97 | Very high | 96.9 | Very high | 186 Ų | 186 | 71.1 Ų | 71.1 | 81% | 0.809 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.2 | -36 | 179.1 | -172.8 | 62.1 | 174.7 | -176.8 | 0 | 112.2 | S234 I235 Y236 | S234-K238 WeakPolarHBondContact O-CB 3.24Å; S234-K238 PolarHBondContact O-N 3.37Å; I235-K238 PolarHBondContact O-N 3.04Å; I235-K238 VanDerWaalsContact O-N 3.11Å; Y236-K238 PolarHBondContact O-N 3.41Å |
| 239 | L | 94.8 | Very high | 96.7 | Very high | 86 Ų | 86 | 73.7 Ų | 73.7 | 45% | 0.45 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -82.1 | -36 | -178.8 | -66.6 | 175.1 | 0 | 0 | 0 | 113.4 | V182 L186 I235 Y236 R237 | V182-L239 HydrophobicContact CG1-CD1 3.54Å; L186-L239 HydrophobicContact CD1-CB 4.43Å; L186-L239 HydrophobicContact CD1-CD1 4.06Å; I235-L239 HydrophobicContact CG2-CD1 3.79Å; I235-L239 HydrophobicContact CG2-CG 4.39Å; I235-L239 WeakPolarHBondContact O-CG 3.32Å; I235-L239 PolarHBondContact O-N 3.1Å; Y236-L239 PolarHBondContact O-N 3.26Å; R237-L239 VanDerWaalsContact C-N 3.32Å; R237-L239 PolarHBondContact O-N 3.25Å |
| 240 | T | 94.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 73.7 Ų | 73.7 | 14% | 0.135 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -106.4 | -19.2 | -172.5 | 66.5 | 0 | 0 | 0 | 0 | 114.3 | L186 Y236 R242 | L186-T240 HydrophobicContact CD2-CG2 3.37Å; Y236-T240 HydrophobicContact CD2-CG2 4.17Å; Y236-T240 HydrophobicContact CE1-CG2 4.24Å; Y236-T240 HydrophobicContact CE2-CG2 3.86Å; Y236-T240 HydrophobicContact CG-CG2 4.49Å; Y236-T240 WeakPolarHBondContact O-CB 3.4Å; Y236-T240 WeakPolarHBondContact O-CG2 3.49Å; Y236-T240 PolarHBondContact O-N 2.45Å; Y236-T240 PolarHBondContact O-OG1 2.98Å; T240-R242 PolarHBondContact O-N 2.99Å; T240-R242 PolarHBondContact OG1-N 2.96Å |
| 241 | G | 94.6 | Very high | 96.3 | Very high | 64 Ų | 64 | 70 Ų | 70 | 66% | 0.66 | 34% | 0.342 | S | S | * | . | S | Bend | trans | 74.3 | 0.6 | -167.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R237 | R237-G241 WeakPolarHBondContact O-CA 3.17Å; R237-G241 PolarHBondContact O-N 3.42Å |
| 242 | R | 94.3 | Very high | 95.9 | Very high | 110 Ų | 110 | 68.5 Ų | 68.5 | 42% | 0.415 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -110.3 | 157.4 | -175.3 | -56.9 | -179.7 | -170.8 | 179.7 | 4.1 | 111.6 | L199 Y236 R237 T240 | L199-R242 PolarHBondContact O-NH1 2.85Å; Y236-R242 HydrophobicContact CE1-CB 4.31Å; R237-R242 WeakPolarHBondContact CA-O 3.26Å; R237-R242 WeakPolarHBondContact CB-O 3.37Å; T240-R242 PolarHBondContact O-N 2.99Å; T240-R242 PolarHBondContact OG1-N 2.96Å |
| 243 | R | 96.1 | Very high | 95.4 | Very high | 199 Ų | 199 | 73.6 Ų | 73.6 | 75% | 0.751 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 142.5 | 170.8 | -64.8 | -179.2 | 67.5 | -174.3 | -0.3 | 108.8 | ||
| 244 | L | 97.2 | Very high | 95.1 | Very high | 13 Ų | 13 | 72 Ų | 72 | 7% | 0.068 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 128.7 | 168.3 | -176.5 | 73.5 | 0 | 0 | 0 | 108.2 | L185 L232 E233 Y236 Y246 | L185-L244 HydrophobicContact CD1-CD1 3.69Å; L185-L244 HydrophobicContact CD2-CD1 4.4Å; L232-L244 HydrophobicContact CD2-CD2 3.83Å; L232-L244 HydrophobicContact CG-CD2 3.87Å; E233-L244 HydrophobicContact CG-CB 4.22Å; E233-L244 HydrophobicContact CG-CD2 4.18Å; Y236-L244 HydrophobicContact CD1-CB 3.79Å; Y236-L244 HydrophobicContact CD1-CD1 4.06Å; Y236-L244 HydrophobicContact CD2-CD1 4.06Å; Y236-L244 HydrophobicContact CE1-CB 4.42Å; Y236-L244 HydrophobicContact CE1-CD1 4.3Å; Y236-L244 HydrophobicContact CE2-CD1 4.32Å; Y236-L244 HydrophobicContact CG-CB 4.16Å; Y236-L244 HydrophobicContact CG-CD1 3.92Å; L244-Y246 HydrophobicContact CD2-CE1 4.2Å |
| 245 | E | 96.7 | Very high | 94.7 | Very high | 138 Ų | 138 | 74.7 Ų | 74.7 | 65% | 0.645 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -103 | 138.8 | 178.7 | -66 | -178.7 | 176.5 | 0 | 0 | 110.6 | Q202 | Q202-E245 PolarHBondContact NE2-O 3.48Š|
| 246 | Y | 97.1 | Very high | 94.4 | Very high | 46 Ų | 46 | 74.8 Ų | 74.8 | 18% | 0.18 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -102.2 | 129.8 | 173.8 | -63.8 | -78.5 | 0 | 0 | 0 | 109 | L167 V205 A207 L229 E233 L244 A248 V249 | L167-Y246 HydrophobicContact CD1-CE1 4.39Å; V205-Y246 HydrophobicContact CB-CD1 4.07Å; V205-Y246 HydrophobicContact CB-CE1 4.47Å; V205-Y246 HydrophobicContact CG1-CD1 3.76Å; V205-Y246 HydrophobicContact CG1-CE1 3.79Å; A207-Y246 HydrophobicContact CB-CD1 3.68Å; A207-Y246 HydrophobicContact CB-CE1 3.76Å; A207-Y246 HydrophobicContact CB-CG 4.44Å; L229-Y246 HydrophobicContact CD2-CE1 4.28Å; E233-Y246 HydrophobicContact CG-CE2 4.41Å; E233-Y246 WeakPolarHBondContact OE1-CE2 3.34Å; E233-Y246 PolarHBondContact OE1-OH 3.05Å; L244-Y246 HydrophobicContact CD2-CE1 4.2Å; Y246-A248 VanDerWaalsContact C-N 3.32Å; Y246-V249 HydrophobicContact CD2-CG2 4.25Å; Y246-V249 HydrophobicContact CG-CG2 4.04Å |
| 247 | E | 97 | Very high | 94.2 | Very high | 120 Ų | 120 | 74 Ų | 74 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -70.2 | -36.9 | 173 | -179.5 | 76.5 | -144.7 | 0 | 0 | 110.2 | F102 P204 V205 L206 | F102-E247 HydrophobicContact CE2-CG 4.32Å; F102-E247 HydrophobicContact CZ-CG 3.79Å; P204-E247 HydrophobicContact CB-CB 3.99Å; P204-E247 HydrophobicContact CB-CG 4.23Å; V205-E247 PolarHBondContact O-N 2.95Å; L206-E247 HydrophobicContact CD2-CB 3.88Å; L206-E247 HydrophobicContact CD2-CG 4.08Å |
| 248 | A | 95.9 | Very high | 94 | Very high | 17 Ų | 17 | 69.6 Ų | 69.6 | 14% | 0.14 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 141.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | M99 L206 A207 Y246 L250 | M99-A248 HydrophobicContact CE-CB 3.92Å; M99-A248 HydrophobicContact SD-CB 4.18Å; L206-A248 HydrophobicContact CD2-CB 3.73Å; A207-A248 PolarHBondContact N-O 3.38Å; Y246-A248 VanDerWaalsContact C-N 3.32Å; A248-L250 HydrophobicContact CB-CD2 4.01Å |
| 249 | V | 94.8 | Very high | 93.9 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 33% | 0.327 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 115 | 170.2 | 176.9 | 0 | 0 | 0 | 0 | 107.7 | M210 Y246 S254 | M210-V249 HydrophobicContact CG-CG1 3.16Å; M210-V249 HydrophobicContact SD-CG1 3.6Å; M210-V249 VanDerWaalsContact SD-CG1 3.6Å; M210-V249 HydrophobicContact SD-CG2 4.4Å; Y246-V249 HydrophobicContact CD2-CG2 4.25Å; Y246-V249 HydrophobicContact CG-CG2 4.04Å; V249-S254 VanDerWaalsContact O-CB 3.28Å; V249-S254 WeakPolarHBondContact O-CB 3.32Å; V249-S254 PolarHBondContact O-OG 2.98Å |
| 250 | L | 95 | Very high | 93.9 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | trans | -112.3 | -179.1 | -178 | -37.8 | 176.1 | 0 | 0 | 0 | 110.2 | P95 L96 A207 C208 A248 F256 | P95-L250 HydrophobicContact CB-CD1 4.42Å; P95-L250 HydrophobicContact CB-CD2 4.39Å; L96-L250 HydrophobicContact CD1-CD1 4.48Å; L96-L250 HydrophobicContact CD2-CD1 3.51Å; L96-L250 HydrophobicContact CG-CD1 3.52Å; A207-L250 PolarHBondContact O-N 3.38Å; C208-L250 CarbonylContact C-O 3.32Å; C208-L250 CarbonylContact O-C 3.05Å; A248-L250 HydrophobicContact CB-CD2 4.01Å; L250-F256 HydrophobicContact CD2-CB 4.38Å; L250-F256 HydrophobicContact CD2-CD1 3.56Å; L250-F256 HydrophobicContact CD2-CE1 4.15Å; L250-F256 HydrophobicContact CD2-CG 4.28Å | ||
| 251 | G | 91.3 | Very high | 94 | Very high | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 79.4 | 160 | -170.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N63 C208 S254 T257 | N63-G251 VanDerWaalsContact OD1-CA 3.28Å; N63-G251 WeakPolarHBondContact OD1-CA 3.36Å; C208-G251 WeakPolarHBondContact O-CA 3.42Å; C208-G251 PolarHBondContact O-N 2.92Å; C208-G251 VanDerWaalsContact O-N 3.12Å; G251-S254 WeakPolarHBondContact O-CA 3.31Å; G251-S254 WeakPolarHBondContact O-CB 3.44Å; G251-S254 PolarHBondContact O-N 2.96Å; G251-T257 WeakPolarHBondContact CA-OG1 3.31Å; G251-T257 PolarHBondContact N-OG1 2.77Å; G251-T257 PolarHBondContact O-OG1 3.02Å |
| 252 | K | 90.1 | Very high | 94 | Very high | 12 Ų | 12 | 60.2 Ų | 60.2 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 142.2 | 172.8 | -55.8 | 167.7 | -70.4 | 157 | 0 | 108.8 | D25 V61 N63 Y258 | D25-K252 IonicContact OD1-NZ 2.65Å; D25-K252 PolarHBondContact OD1-NZ 3.17Å; D25-K252 IonicContact OD2-NZ 3.21Å; D25-K252 PolarHBondContact OD2-NZ 3.25Å; V61-K252 HydrophobicContact CB-CD 4.34Å; V61-K252 HydrophobicContact CG1-CD 3.8Å; V61-K252 HydrophobicContact CG1-CG 3.67Å; N63-K252 PolarHBondContact ND2-O 2.93Å; N63-K252 WeakPolarHBondContact OD1-CE 3.45Å; N63-K252 PolarHBondContact OD1-N 3.48Å; K252-Y258 HydrophobicContact CG-CE2 4.38Å |
| 253 | P | 89.1 | Confident | 94 | Very high | 106 Ų | 106 | 58.8 Ų | 58.8 | 69% | 0.688 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -92 | 21.3 | 3.6 | 37 | -36 | 0 | 0 | 0 | 114.7 | L255 | P253-L255 PolarHBondContact O-N 3.14Š|
| 254 | S | 90.8 | Very high | 93.9 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | trans | -56 | 133 | -175.9 | -177.6 | 0 | 0 | 0 | 0 | 113 | V249 G251 F256 T257 Y258 | V249-S254 VanDerWaalsContact O-CB 3.28Å; V249-S254 WeakPolarHBondContact O-CB 3.32Å; V249-S254 PolarHBondContact O-OG 2.98Å; G251-S254 WeakPolarHBondContact O-CA 3.31Å; G251-S254 WeakPolarHBondContact O-CB 3.44Å; G251-S254 PolarHBondContact O-N 2.96Å; S254-F256 PolarHBondContact O-N 3.39Å; S254-F256 PolarHBondContact OG-N 2.73Å; S254-T257 WeakPolarHBondContact O-CB 3.21Å; S254-T257 PolarHBondContact O-N 3.43Å; S254-T257 VanDerWaalsContact O-N 3.11Å; S254-Y258 WeakPolarHBondContact O-CD2 3.19Å; S254-Y258 PolarHBondContact O-N 2.8Å | ||
| 255 | L | 90.4 | Very high | 93.8 | Very high | 122 Ų | 122 | 49 Ų | 49 | 64% | 0.639 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -54.7 | -37.8 | 175.1 | 177.3 | 61.1 | 0 | 0 | 0 | 111.5 | P253 T257 Y258 Q259 | P253-L255 PolarHBondContact O-N 3.14Å; L255-T257 VanDerWaalsContact C-N 3.29Å; L255-T257 PolarHBondContact O-N 3.33Å; L255-Y258 PolarHBondContact O-N 3.46Å; L255-Y258 VanDerWaalsContact O-N 3.13Å; L255-Q259 HydrophobicContact CD1-CG 4.18Å; L255-Q259 HydrophobicContact CG-CG 4.2Å; L255-Q259 WeakPolarHBondContact O-CG 3.13Å; L255-Q259 PolarHBondContact O-N 2.87Å |
| 256 | F | 91.8 | Very high | 93.6 | Very high | 64 Ų | 64 | 47.2 Ų | 47.2 | 28% | 0.281 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.8 | -34.7 | -177.7 | -161.2 | -101.1 | 0 | 0 | 0 | 112.1 | P95 M98 M99 L250 S254 Y260 | P95-F256 HydrophobicContact CB-CD1 3.36Å; P95-F256 HydrophobicContact CB-CE1 3.55Å; P95-F256 HydrophobicContact CG-CD1 4.41Å; P95-F256 WeakPolarHBondContact O-CE1 3.11Å; M98-F256 HydrophobicContact CB-CZ 4.1Å; M98-F256 HydrophobicContact CE-CD1 4Å; M98-F256 HydrophobicContact CE-CD2 4.42Å; M98-F256 HydrophobicContact CE-CE1 3.54Å; M98-F256 HydrophobicContact CE-CE2 3.99Å; M98-F256 HydrophobicContact CE-CG 4.44Å; M98-F256 HydrophobicContact CE-CZ 3.54Å; M99-F256 HydrophobicContact CG-CE1 4.18Å; M99-F256 HydrophobicContact CG-CZ 4.1Å; M99-F256 HydrophobicContact SD-CE1 4.45Å; L250-F256 HydrophobicContact CD2-CB 4.38Å; L250-F256 HydrophobicContact CD2-CD1 3.56Å; L250-F256 HydrophobicContact CD2-CE1 4.15Å; L250-F256 HydrophobicContact CD2-CG 4.28Å; S254-F256 PolarHBondContact O-N 3.39Å; S254-F256 PolarHBondContact OG-N 2.73Å; F256-Y260 PolarHBondContact O-N 3.35Å |
| 257 | T | 93.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -42.5 | 172.7 | -66.7 | 0 | 0 | 0 | 0 | 111.7 | V61 V90 G251 S254 L255 Y260 A261 | V61-T257 HydrophobicContact CG1-CG2 3.84Å; V90-T257 HydrophobicContact CG1-CG2 3.98Å; G251-T257 WeakPolarHBondContact CA-OG1 3.31Å; G251-T257 PolarHBondContact N-OG1 2.77Å; G251-T257 PolarHBondContact O-OG1 3.02Å; S254-T257 WeakPolarHBondContact O-CB 3.21Å; S254-T257 PolarHBondContact O-N 3.43Å; S254-T257 VanDerWaalsContact O-N 3.11Å; L255-T257 VanDerWaalsContact C-N 3.29Å; L255-T257 PolarHBondContact O-N 3.33Å; T257-Y260 PolarHBondContact O-N 3.04Å; T257-A261 WeakPolarHBondContact O-CB 3.24Å; T257-A261 PolarHBondContact O-N 3.36Å |
| 258 | Y | 92.8 | Very high | 93 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.7 | -33.8 | 178.3 | -77.7 | -80 | 0 | 0 | 0 | 112.9 | L23 K252 S254 L255 A261 E262 | L23-Y258 HydrophobicContact CD1-CD1 3.66Å; L23-Y258 HydrophobicContact CD1-CE1 4.07Å; K252-Y258 HydrophobicContact CG-CE2 4.38Å; S254-Y258 WeakPolarHBondContact O-CD2 3.19Å; S254-Y258 PolarHBondContact O-N 2.8Å; L255-Y258 PolarHBondContact O-N 3.46Å; L255-Y258 VanDerWaalsContact O-N 3.13Å; Y258-A261 PolarHBondContact O-N 3.46Å; Y258-E262 WeakPolarHBondContact O-CB 3.33Å; Y258-E262 PolarHBondContact O-N 2.85Å |
| 259 | Q | 93.7 | Very high | 92.4 | Very high | 88 Ų | 88 | 47.2 Ų | 47.2 | 41% | 0.411 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 171.6 | -74.4 | 173.9 | -29.2 | 0 | 0 | 111.5 | L255 E262 Q263 | L255-Q259 HydrophobicContact CD1-CG 4.18Å; L255-Q259 HydrophobicContact CG-CG 4.2Å; L255-Q259 WeakPolarHBondContact O-CG 3.13Å; L255-Q259 PolarHBondContact O-N 2.87Å; Q259-E262 PolarHBondContact O-N 3.05Å; Q259-Q263 PolarHBondContact O-N 2.85Å |
| 260 | Y | 95.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 173.6 | -173.4 | -106.6 | 0 | 0 | 0 | 111.8 | R69 V90 P95 H97 M98 F256 T257 E262 Q263 L264 | R69-Y260 PolarHBondContact NH1-OH 3.48Å; R69-Y260 PolarHBondContact NH2-OH 3.12Å; V90-Y260 HydrophobicContact CG1-CD1 4.08Å; V90-Y260 HydrophobicContact CG2-CD1 3.91Å; V90-Y260 HydrophobicContact CG2-CE1 4.2Å; P95-Y260 HydrophobicContact CB-CG 4.43Å; P95-Y260 HydrophobicContact CG-CD1 4.5Å; P95-Y260 HydrophobicContact CG-CG 4.4Å; H97-Y260 HydrophobicContact CB-CE2 4.38Å; M98-Y260 HydrophobicContact CE-CD2 3.84Å; M98-Y260 HydrophobicContact CE-CG 4.24Å; M98-Y260 HydrophobicContact CG-CD2 3.81Å; M98-Y260 HydrophobicContact CG-CE2 4.17Å; M98-Y260 HydrophobicContact SD-CD2 3.68Å; F256-Y260 PolarHBondContact O-N 3.35Å; T257-Y260 PolarHBondContact O-N 3.04Å; Y260-E262 VanDerWaalsContact C-N 3.33Å; Y260-E262 PolarHBondContact O-N 2.9Å; Y260-Q263 WeakPolarHBondContact O-CB 3.38Å; Y260-Q263 PolarHBondContact O-N 2.92Å; Y260-L264 HydrophobicContact CD1-CD1 4.14Å; Y260-L264 HydrophobicContact CD1-CG 4.5Å; Y260-L264 HydrophobicContact CE1-CD1 3.68Å; Y260-L264 HydrophobicContact CE1-CD2 4.47Å; Y260-L264 HydrophobicContact CE1-CG 4.15Å; Y260-L264 PolarHBondContact O-N 2.87Å; Y260-L264 VanDerWaalsContact O-N 3.11Å |
| 261 | A | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L23 V59 V61 V90 T257 Y258 L264 L265 | L23-A261 HydrophobicContact CD1-CB 4.13Å; L23-A261 HydrophobicContact CD2-CB 3.83Å; V59-A261 HydrophobicContact CG1-CB 4.16Å; V61-A261 HydrophobicContact CG2-CB 4.09Å; V90-A261 HydrophobicContact CG2-CB 4.04Å; T257-A261 WeakPolarHBondContact O-CB 3.24Å; T257-A261 PolarHBondContact O-N 3.36Å; Y258-A261 PolarHBondContact O-N 3.46Å; A261-L264 PolarHBondContact O-N 3.17Å; A261-L265 PolarHBondContact O-N 3.47Å |
| 262 | E | 93.9 | Very high | 89.8 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 30% | 0.304 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 173.6 | 177.3 | 179.2 | -179.8 | 0 | 0 | 111.8 | Y258 Q259 Y260 L264 L265 R266 I277 | Y258-E262 WeakPolarHBondContact O-CB 3.33Å; Y258-E262 PolarHBondContact O-N 2.85Å; Q259-E262 PolarHBondContact O-N 3.05Å; Y260-E262 VanDerWaalsContact C-N 3.33Å; Y260-E262 PolarHBondContact O-N 2.9Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 3.32Å; E262-L265 WeakPolarHBondContact O-CB 3.37Å; E262-L265 PolarHBondContact O-N 3.22Å; E262-R266 HydrophobicContact CG-CG 4.49Å; E262-R266 WeakPolarHBondContact O-CG 3.34Å; E262-R266 PolarHBondContact O-N 2.89Å; E262-R266 IonicContact OE1-CZ 2.95Å; E262-R266 IonicContact OE1-NE 3.9Å; E262-R266 PolarHBondContact OE1-NE 3.21Å; E262-R266 IonicContact OE1-NH2 3.55Å; E262-R266 PolarHBondContact OE1-NH2 3.22Å; E262-I277 HydrophobicContact CB-CD1 4.28Å; E262-I277 HydrophobicContact CG-CD1 3.73Å |
| 263 | Q | 94 | Very high | 89.4 | Confident | 81 Ų | 81 | 69.9 Ų | 69.9 | 38% | 0.379 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 175.8 | -179.4 | 178.3 | -23 | 0 | 0 | 111.4 | M98 Q259 Y260 R266 Q267 | M98-Q263 PolarHBondContact SD-OE1 3.31Å; Q259-Q263 PolarHBondContact O-N 2.85Å; Y260-Q263 WeakPolarHBondContact O-CB 3.38Å; Y260-Q263 PolarHBondContact O-N 2.92Å; Q263-R266 PolarHBondContact O-N 3.39Å; Q263-Q267 WeakPolarHBondContact O-CG 3.41Å; Q263-Q267 PolarHBondContact O-N 3.24Å |
| 264 | L | 95.3 | Very high | 89.3 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 4% | 0.037 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 176 | -64 | -178.9 | 0 | 0 | 0 | 112.1 | V59 V90 Y260 A261 E262 R266 Q267 Q268 | V59-L264 HydrophobicContact CG2-CB 3.88Å; V90-L264 HydrophobicContact CG2-CD1 3.5Å; Y260-L264 HydrophobicContact CD1-CD1 4.14Å; Y260-L264 HydrophobicContact CD1-CG 4.5Å; Y260-L264 HydrophobicContact CE1-CD1 3.68Å; Y260-L264 HydrophobicContact CE1-CD2 4.47Å; Y260-L264 HydrophobicContact CE1-CG 4.15Å; Y260-L264 PolarHBondContact O-N 2.87Å; Y260-L264 VanDerWaalsContact O-N 3.11Å; A261-L264 PolarHBondContact O-N 3.17Å; E262-L264 VanDerWaalsContact C-N 3.3Å; E262-L264 PolarHBondContact O-N 3.32Å; L264-R266 VanDerWaalsContact C-N 3.29Å; L264-R266 PolarHBondContact O-N 2.95Å; L264-Q267 PolarHBondContact O-N 3.1Å; L264-Q268 WeakPolarHBondContact O-CG 3.41Å; L264-Q268 PolarHBondContact O-N 2.8Å; L264-Q268 VanDerWaalsContact O-N 3.1Å |
| 265 | L | 94.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59 | -41.5 | 174.2 | -74.1 | 176 | 0 | 0 | 0 | 111.8 | L23 P57 V59 A261 E262 Q268 L274 I277 | L23-L265 HydrophobicContact CD2-CD1 3.41Å; L23-L265 VanDerWaalsContact CD2-CD1 3.41Å; L23-L265 HydrophobicContact CD2-CD2 4.3Å; L23-L265 HydrophobicContact CD2-CG 3.83Å; L23-L265 HydrophobicContact CG-CD1 3.88Å; P57-L265 VanDerWaalsContact C-CD2 3.47Å; P57-L265 HydrophobicContact CB-CB 4.41Å; P57-L265 HydrophobicContact CB-CD2 3.67Å; P57-L265 WeakPolarHBondContact O-CD2 3.46Å; V59-L265 HydrophobicContact CB-CD2 4.14Å; V59-L265 HydrophobicContact CB-CG 4.32Å; V59-L265 HydrophobicContact CG2-CD2 3.72Å; V59-L265 HydrophobicContact CG2-CG 3.85Å; A261-L265 PolarHBondContact O-N 3.47Å; E262-L265 WeakPolarHBondContact O-CB 3.37Å; E262-L265 PolarHBondContact O-N 3.22Å; L265-Q268 PolarHBondContact O-N 3.11Å; L265-L274 HydrophobicContact CB-CD1 3.65Å; L265-I277 HydrophobicContact CD1-CD1 4.05Å; L265-I277 HydrophobicContact CD1-CG1 4.22Å; L265-I277 HydrophobicContact CD1-CG2 3.85Å |
| 266 | R | 91.8 | Very high | 89.2 | Confident | 99 Ų | 99 | 64.5 Ų | 64.5 | 37% | 0.374 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 177.8 | -69.9 | 178 | -179.4 | -69.8 | -3 | 111.7 | E262 Q263 L264 Q268 N269 Q270 L274 | E262-R266 HydrophobicContact CG-CG 4.49Å; E262-R266 WeakPolarHBondContact O-CG 3.34Å; E262-R266 PolarHBondContact O-N 2.89Å; E262-R266 IonicContact OE1-CZ 2.95Å; E262-R266 IonicContact OE1-NE 3.9Å; E262-R266 PolarHBondContact OE1-NE 3.21Å; E262-R266 IonicContact OE1-NH2 3.55Å; E262-R266 PolarHBondContact OE1-NH2 3.22Å; Q263-R266 PolarHBondContact O-N 3.39Å; L264-R266 VanDerWaalsContact C-N 3.29Å; L264-R266 PolarHBondContact O-N 2.95Å; R266-Q268 VanDerWaalsContact C-N 3.3Å; R266-Q268 PolarHBondContact O-N 2.94Å; R266-N269 CarbonylContact O-C 3.59Å; R266-N269 VanDerWaalsContact O-C 3.3Å; R266-N269 PolarHBondContact O-N 3.13Å; R266-Q270 PolarHBondContact O-N 2.8Å; R266-L274 HydrophobicContact CG-CD1 4.02Å |
| 267 | Q | 91.9 | Very high | 89.3 | Confident | 96 Ų | 96 | 64.3 Ų | 64.3 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.5 | -31.4 | 176.2 | -74 | 173.8 | -4.7 | 0 | 0 | 113 | Q263 L264 N269 Q270 | Q263-Q267 WeakPolarHBondContact O-CG 3.41Å; Q263-Q267 PolarHBondContact O-N 3.24Å; L264-Q267 PolarHBondContact O-N 3.1Å; Q267-N269 PolarHBondContact O-N 2.99Å; Q267-Q270 WeakPolarHBondContact O-CG 3.14Å |
| 268 | Q | 89.9 | Confident | 89.3 | Confident | 70 Ų | 70 | 70.8 Ų | 70.8 | 33% | 0.327 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14.2 | 173.1 | -67.2 | 175.2 | 33.2 | 0 | 0 | 113 | P57 V58 L264 L265 R266 | P57-Q268 HydrophobicContact CB-CB 4.08Å; P57-Q268 HydrophobicContact CG-CB 4.31Å; V58-Q268 VanDerWaalsContact N-OE1 3.11Å; V58-Q268 PolarHBondContact O-NE2 2.9Å; V58-Q268 PolarHBondContact O-OE1 2.91Å; L264-Q268 WeakPolarHBondContact O-CG 3.41Å; L264-Q268 PolarHBondContact O-N 2.8Å; L264-Q268 VanDerWaalsContact O-N 3.1Å; L265-Q268 PolarHBondContact O-N 3.11Å; R266-Q268 VanDerWaalsContact C-N 3.3Å; R266-Q268 PolarHBondContact O-N 2.94Å |
| 269 | N | 84 | Confident | 89.3 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.3 | 48.8 | -171.3 | -164.2 | 20.1 | 0 | 0 | 0 | 113 | R18 P57 R266 Q267 N271 H272 | R18-N269 PolarHBondContact O-ND2 3.05Å; P57-N269 HydrophobicContact CG-CB 3.6Å; R266-N269 CarbonylContact O-C 3.59Å; R266-N269 VanDerWaalsContact O-C 3.3Å; R266-N269 PolarHBondContact O-N 3.13Å; Q267-N269 PolarHBondContact O-N 2.99Å; N269-N271 PolarHBondContact O-N 3.18Å; N269-H272 PolarHBondContact ND2-O 3.34Å; N269-H272 PolarHBondContact O-N 3.37Å; N269-H272 PolarHBondContact OD1-ND1 3.11Å |
| 270 | Q | 74.6 | Confident | 89.3 | Confident | 163 Ų | 163 | 69.2 Ų | 69.2 | 76% | 0.762 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -27.1 | -174 | -61.8 | 178.2 | 0.3 | 0 | 0 | 114 | R266 Q267 | R266-Q270 PolarHBondContact O-N 2.8Å; Q267-Q270 WeakPolarHBondContact O-CG 3.14Å |
| 271 | N | 75.1 | Confident | 88.9 | Confident | 146 Ų | 146 | 71 Ų | 71 | 78% | 0.781 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -8.1 | -177 | -64.2 | -27.2 | 0 | 0 | 0 | 114.1 | N269 | N269-N271 PolarHBondContact O-N 3.18Š|
| 272 | H | 77.8 | Confident | 87.8 | Confident | 63 Ų | 63 | 77.9 Ų | 77.9 | 29% | 0.292 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -139 | 130.8 | -178.6 | -50.9 | 83.3 | 0 | 0 | 0 | 111.6 | R18 N269 L274 | R18-H272 HydrophobicContact CB-CB 4.33Å; R18-H272 WeakPolarHBondContact O-CB 3.31Å; N269-H272 PolarHBondContact ND2-O 3.34Å; N269-H272 PolarHBondContact O-N 3.37Å; N269-H272 PolarHBondContact OD1-ND1 3.11Å; H272-L274 PolarHBondContact O-N 3.4Å |
| 273 | K | 81.6 | Confident | 86.2 | Confident | 172 Ų | 172 | 79.8 Ų | 79.8 | 75% | 0.748 | 41% | 0.412 | S | S | * | . | trans | -68.9 | 122.7 | 174.3 | -173 | 176.5 | 179.4 | 179.9 | 0 | 109.7 | S275 | K273-S275 PolarHBondContact O-N 3.05Š| ||
| 274 | L | 87.1 | Confident | 84.4 | Confident | 8 Ų | 8 | 79.6 Ų | 79.6 | 4% | 0.042 | 41% | 0.411 | C | S | . | . | trans | -64.2 | 123.3 | 166.6 | -64.5 | 175.6 | 0 | 0 | 0 | 109.6 | Q19 P57 L265 R266 H272 | Q19-L274 CarbonylContact O-C 3.51Å; Q19-L274 WeakPolarHBondContact O-CA 3.47Å; P57-L274 HydrophobicContact CG-CD2 4.29Å; L265-L274 HydrophobicContact CB-CD1 3.65Å; R266-L274 HydrophobicContact CG-CD1 4.02Å; H272-L274 PolarHBondContact O-N 3.4Å | ||
| 275 | S | 87.4 | Confident | 82.2 | Confident | 79 Ų | 79 | 84.8 Ų | 84.8 | 55% | 0.552 | 45% | 0.445 | S | S | * | . | trans | -98.2 | -29.1 | 175.9 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | Q19 K273 | Q19-S275 WeakPolarHBondContact CB-OG 3.49Å; Q19-S275 PolarHBondContact O-N 3.11Å; Q19-S275 PolarHBondContact O-OG 2.87Å; K273-S275 PolarHBondContact O-N 3.05Å | ||
| 276 | T | 91.5 | Very high | 79.7 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 35% | 0.35 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 134.1 | -176.8 | -51 | 0 | 0 | 0 | 0 | 110.6 | Q19 V20 G21 Y278 | Q19-T276 PolarHBondContact O-N 3.31Å; V20-T276 WeakPolarHBondContact CA-O 3.39Å; G21-T276 PolarHBondContact N-O 3.3Å; T276-Y278 HydrophobicContact CG2-CD2 4.2Å; T276-Y278 HydrophobicContact CG2-CE1 4.42Å; T276-Y278 HydrophobicContact CG2-CE2 3.66Å |
| 277 | I | 93 | Very high | 77.2 | Confident | 59 Ų | 59 | 93.5 Ų | 93.5 | 30% | 0.303 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 122.6 | 172.4 | -61.2 | 174.4 | 0 | 0 | 0 | 108.4 | G21 L23 E262 L265 | G21-I277 WeakPolarHBondContact O-CA 3.1Å; L23-I277 HydrophobicContact CD1-CG2 4.04Å; L23-I277 HydrophobicContact CG-CG2 3.9Å; E262-I277 HydrophobicContact CB-CD1 4.28Å; E262-I277 HydrophobicContact CG-CD1 3.73Å; L265-I277 HydrophobicContact CD1-CD1 4.05Å; L265-I277 HydrophobicContact CD1-CG1 4.22Å; L265-I277 HydrophobicContact CD1-CG2 3.85Å |
| 278 | Y | 94 | Very high | 76.5 | Confident | 137 Ų | 137 | 93.4 Ų | 93.4 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 120.2 | 173 | -65.2 | -86 | 0 | 0 | 0 | 109.6 | V20 G21 V22 L23 T276 | V20-Y278 HydrophobicContact CG1-CD2 3.51Å; V20-Y278 HydrophobicContact CG1-CE2 3.52Å; V20-Y278 HydrophobicContact CG2-CE2 4.47Å; G21-Y278 PolarHBondContact O-N 2.79Å; V22-Y278 CarbonylContact C-O 3.53Å; V22-Y278 WeakPolarHBondContact CA-O 3.33Å; L23-Y278 PolarHBondContact N-O 2.58Å; T276-Y278 HydrophobicContact CG2-CD2 4.2Å; T276-Y278 HydrophobicContact CG2-CE1 4.42Å; T276-Y278 HydrophobicContact CG2-CE2 3.66Å |
| 279 | A | 93.1 | Very high | 75.8 | Confident | 67 Ų | 67 | 94.6 Ų | 94.6 | 55% | 0.554 | 53% | 0.529 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 115.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L23 | L23-A279 HydrophobicContact CB-CB 4.44Å |
| 280 | V | 93.1 | Very high | 75.3 | Confident | 60 Ų | 60 | 98.9 Ų | 98.9 | 36% | 0.364 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.7 | 99.5 | 177.3 | -173.9 | 0 | 0 | 0 | 0 | 107.8 | V22 L23 F24 D25 V29 | V22-V280 HydrophobicContact CG1-CG2 4.15Å; L23-V280 PolarHBondContact O-N 2.78Å; F24-V280 HydrophobicContact CD1-CB 3.74Å; F24-V280 HydrophobicContact CD1-CG1 4.07Å; F24-V280 HydrophobicContact CD1-CG2 4.08Å; F24-V280 HydrophobicContact CE1-CB 3.93Å; F24-V280 HydrophobicContact CE1-CG1 4.14Å; F24-V280 HydrophobicContact CE1-CG2 3.78Å; F24-V280 HydrophobicContact CZ-CG2 4.49Å; D25-V280 WeakPolarHBondContact CB-O 3.37Å; D25-V280 PolarHBondContact N-O 3.25Å; V29-V280 HydrophobicContact CG1-CG1 3.92Å |
| 281 | G | 86.7 | Confident | 75.4 | Confident | 45 Ų | 45 | 95.2 Ų | 95.2 | 46% | 0.464 | 54% | 0.541 | S | S | . | . | trans | -128.6 | 158.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 282 | Y | 72.7 | Confident | 75.4 | Confident | 144 Ų | 144 | 92 Ų | 92 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | trans | -89.7 | 132.4 | 164.1 | -172.7 | -96.5 | 0 | 0 | 0 | 107.7 | Q284 | Y282-Q284 PolarHBondContact O-N 3.18Š| ||
| 283 | P | 60.6 | Low | 75.2 | Confident | 105 Ų | 105 | 93.9 Ų | 93.9 | 68% | 0.682 | 54% | 0.541 | S | S | * | . | trans | -62.8 | 103 | 175.6 | 23.9 | -30.2 | 0 | 0 | 0 | 109.1 | ||||
| 284 | Q | 57.6 | Low | 74.8 | Confident | 78 Ų | 78 | 88.4 Ų | 88.4 | 36% | 0.364 | 53% | 0.526 | S | S | . | . | trans | -69.9 | 125 | 163.2 | -68.4 | -90.6 | -3.4 | 0 | 0 | 105.9 | Y282 V286 | Y282-Q284 PolarHBondContact O-N 3.18Å; Q284-V286 PolarHBondContact O-N 3.43Å; Q284-V286 VanDerWaalsContact O-N 3.11Å | ||
| 285 | P | 48.2 | Very low | 73.8 | Confident | 116 Ų | 116 | 94.5 Ų | 94.5 | 75% | 0.753 | 56% | 0.564 | S | S | * | * | trans | -55.4 | 124 | 171.9 | 21.8 | -29.4 | 0 | 0 | 0 | 107.8 | S287 | P285-S287 PolarHBondContact O-N 3.18Š| ||
| 286 | V | 41.5 | Very low | 72.7 | Confident | 141 Ų | 141 | 95.8 Ų | 95.8 | 86% | 0.855 | 57% | 0.565 | S | S | * | * | trans | -62.9 | 112.3 | 177.6 | -164.3 | 0 | 0 | 0 | 0 | 106.3 | Q284 | Q284-V286 PolarHBondContact O-N 3.43Å; Q284-V286 VanDerWaalsContact O-N 3.11Å | ||
| 287 | S | 40.5 | Very low | 71 | Confident | 141 Ų | 141 | 99.4 Ų | 99.4 | 99% | 0.986 | 58% | 0.584 | S | S | * | * | trans | -74 | 0 | 174.1 | 56.8 | 0 | 0 | 0 | 0 | 111.2 | P285 | P285-S287 PolarHBondContact O-N 3.18Š|
Retrieved 287 of 287 residues in 137.9 ms
(Link to these results)