A0A096MSI5_PAPAN Loading...

COMM domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A096MSI5, Species PAPAN (Papio anubis, Olive baboon), Gene COMMD1, Length 190 aa.

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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
1M49.3Very low61.6Low183 Ų18380.3 Ų80.390%0.90144%0.44SS*.  01330-70.6-178-159.400106.5
2A53.6Low63.8Low42 Ų4274 Ų7435%0.34741%0.405SS..  trans-68.6144.3-177.700000110.1G4 E5 E47A2-G4 PolarHBondContact O-N 3.21Å; A2-E5 HydrophobicContact CB-CG 4.21Å; A2-E5 PolarHBondContact N-OE2 3.04Å; A2-E5 PolarHBondContact O-N 3.09Å; A2-E47 VanDerWaalsContact CA-OE2 3.3Å; A2-E47 WeakPolarHBondContact CA-OE2 3.33Å
3A55.2Low65.8Low4 Ų473.2 Ų73.23%0.03340%0.4CS..G310 helixtrans-51.5-28.8175.300000113.3E5 V43 E47 F51A3-E5 VanDerWaalsContact C-N 3.32Å; A3-E5 PolarHBondContact O-N 3.18Å; A3-V43 HydrophobicContact CB-CG1 3.52Å; A3-V43 HydrophobicContact CB-CG2 4.43Å; A3-E47 HydrophobicContact CB-CB 4.32Å; A3-E47 WeakPolarHBondContact CB-O 3.44Å; A3-F51 HydrophobicContact CB-CB 3.86Å; A3-F51 HydrophobicContact CB-CG 4.12Å
4G53.1Low67.5Low33 Ų3369.7 Ų69.734%0.3439%0.39SS..G310 helixtrans-74.8-12.3178.200000115.7A2 Q90A2-G4 PolarHBondContact O-N 3.21Å; G4-Q90 PolarHBondContact O-NE2 3.47Å
5E56.5Low69.1Low130 Ų13065.1 Ų65.161%0.60736%0.364SS*.G310 helixtrans-97.9-1.7-178.8-64.5176.9133.400112.9A2 A3 E7A2-E5 HydrophobicContact CB-CG 4.21Å; A2-E5 PolarHBondContact N-OE2 3.04Å; A2-E5 PolarHBondContact O-N 3.09Å; A3-E5 VanDerWaalsContact C-N 3.32Å; A3-E5 PolarHBondContact O-N 3.18Å; E5-E7 PolarHBondContact O-N 2.98Å
6F59.2Low70.5Confident50 Ų5061.1 Ų61.122%0.21934%0.342CS..  trans-72.596.6178.3-127.8-97.1000109.9G8 P11 Y40 E42 V43F6-G8 PolarHBondContact O-N 3.06Å; F6-P11 HydrophobicContact CD1-CG 4.46Å; F6-Y40 HydrophobicContact CB-CD1 4.13Å; F6-Y40 HydrophobicContact CB-CE1 3.76Å; F6-Y40 AromaticContact CD1-CD1 3.93Å; F6-Y40 HydrophobicContact CD1-CD1 3.93Å; F6-Y40 AromaticContact CD1-CE1 3.87Å; F6-Y40 HydrophobicContact CD1-CE1 3.87Å; F6-Y40 HydrophobicContact CD2-CD1 4.42Å; F6-Y40 HydrophobicContact CE1-CD1 4.48Å; F6-Y40 AromaticContact CG-CD1 3.91Å; F6-Y40 HydrophobicContact CG-CD1 3.91Å; F6-Y40 AromaticContact CG-CE1 3.92Å; F6-Y40 HydrophobicContact CG-CE1 3.92Å; F6-E42 HydrophobicContact CE2-CB 4.49Å; F6-E42 WeakPolarHBondContact CZ-OE2 3.28Å; F6-V43 HydrophobicContact CD2-CG2 4.34Å
7E54.9Low71.7Confident162 Ų16260.2 Ų60.276%0.75734%0.336SS*.  trans-73.420.2179.4-65.6-170.7139.200113.9E5 G9E5-E7 PolarHBondContact O-N 2.98Å; E7-G9 PolarHBondContact O-N 2.98Å
8G58.6Low72.7Confident22 Ų2257.7 Ų57.723%0.22732%0.324CS..  trans-82.597.5-179.500000112.1F6 K10 P11 L12F6-G8 PolarHBondContact O-N 3.06Å; G8-K10 PolarHBondContact O-N 3.34Å; G8-K10 VanDerWaalsContact O-N 3.15Å; G8-P11 VanDerWaalsContact O-CD 3.23Å; G8-P11 WeakPolarHBondContact O-CD 3.46Å; G8-L12 PolarHBondContact O-N 3.06Å; G8-L12 VanDerWaalsContact O-N 3.14Å
9G71.5Confident73.7Confident38 Ų3854.7 Ų54.739%0.39231%0.308SS..Hα-helixtrans-57.5-28.217300000114E7 N13E7-G9 PolarHBondContact O-N 2.98Å; G9-N13 VanDerWaalsContact O-CB 3.28Å; G9-N13 WeakPolarHBondContact O-CB 3.48Å; G9-N13 PolarHBondContact O-N 3.04Å; G9-N13 VanDerWaalsContact O-N 3.16Å
10K80.4Confident74.5Confident190 Ų19052.2 Ų52.283%0.82629%0.293SS*.Hα-helixtrans-71.9-55174.5-80-177-179.5179.60112.9G8 L12 N13 G14G8-K10 PolarHBondContact O-N 3.34Å; G8-K10 VanDerWaalsContact O-N 3.15Å; K10-L12 VanDerWaalsContact C-N 3.32Å; K10-L12 PolarHBondContact O-N 3.28Å; K10-N13 PolarHBondContact O-N 3.41Å; K10-G14 PolarHBondContact O-N 3.38Å
11P85.4Confident75.1Confident29 Ų2953.2 Ų53.219%0.18830%0.296CS..Hα-helixtrans-51.3-46.5173.5-3030.9000113.8F6 G8 G14 L15 Y40F6-P11 HydrophobicContact CD1-CG 4.46Å; G8-P11 VanDerWaalsContact O-CD 3.23Å; G8-P11 WeakPolarHBondContact O-CD 3.46Å; P11-G14 PolarHBondContact O-N 3.3Å; P11-L15 PolarHBondContact O-N 3.47Å; P11-Y40 HydrophobicContact CB-CE1 4Å; P11-Y40 HydrophobicContact CB-CE2 4.24Å
12L88.3Confident76.8Confident5 Ų546.7 Ų46.73%0.02627%0.265CS..Hα-helixtrans-66.9-42.1-179179.360.6000112.2G8 K10 G14 L15 L16 Y40 F51 M55 Q90 V93G8-L12 PolarHBondContact O-N 3.06Å; G8-L12 VanDerWaalsContact O-N 3.14Å; K10-L12 VanDerWaalsContact C-N 3.32Å; K10-L12 PolarHBondContact O-N 3.28Å; L12-G14 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 2.93Å; L12-L15 HydrophobicContact CD1-CD2 4.35Å; L12-L15 WeakPolarHBondContact O-CB 3.3Å; L12-L15 PolarHBondContact O-N 3.01Å; L12-L16 HydrophobicContact CD1-CG 4.35Å; L12-L16 HydrophobicContact CG-CD1 4.34Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 3.2Å; L12-Y40 WeakPolarHBondContact CA-OH 3.17Å; L12-Y40 PolarHBondContact N-OH 2.95Å; L12-F51 HydrophobicContact CD1-CZ 4.21Å; L12-M55 HydrophobicContact CD1-CE 4.47Å; L12-M55 HydrophobicContact CD1-CG 4.31Å; L12-M55 HydrophobicContact CD1-SD 4.08Å; L12-Q90 HydrophobicContact CD2-CB 3.9Å; L12-Q90 HydrophobicContact CD2-CG 3.79Å; L12-V93 HydrophobicContact CB-CG1 4.19Å; L12-V93 HydrophobicContact CD2-CB 3.84Å; L12-V93 HydrophobicContact CD2-CG1 3.87Å; L12-V93 HydrophobicContact CD2-CG2 4.32Å; L12-V93 HydrophobicContact CG-CB 4.4Å; L12-V93 HydrophobicContact CG-CG1 3.87Å
13N89.1Confident78.3Confident63 Ų6346.4 Ų46.434%0.33726%0.259SS..Hα-helixtrans-63.5-39.2175.1-173.858.9000111.5G9 K10 L15 L16 N17 V93G9-N13 VanDerWaalsContact O-CB 3.28Å; G9-N13 WeakPolarHBondContact O-CB 3.48Å; G9-N13 PolarHBondContact O-N 3.04Å; G9-N13 VanDerWaalsContact O-N 3.16Å; K10-N13 PolarHBondContact O-N 3.41Å; N13-L15 VanDerWaalsContact C-N 3.32Å; N13-L15 PolarHBondContact O-N 3.25Å; N13-L16 PolarHBondContact O-N 2.93Å; N13-N17 PolarHBondContact ND2-ND2 2.87Å; N13-N17 PolarHBondContact O-N 2.98Å; N13-N17 PolarHBondContact O-ND2 3.46Å; N13-V93 HydrophobicContact CB-CG1 4.1Å
14G89.7Confident79.7Confident25 Ų2546.5 Ų46.526%0.25826%0.259SS..Hα-helixtrans-58.7-43.7172.200000112.2K10 P11 L12 N17 A18K10-G14 PolarHBondContact O-N 3.38Å; P11-G14 PolarHBondContact O-N 3.3Å; L12-G14 VanDerWaalsContact C-N 3.31Å; L12-G14 PolarHBondContact O-N 2.93Å; G14-N17 PolarHBondContact O-N 2.94Å; G14-A18 PolarHBondContact O-N 2.9Å
15L91.4Very high81.1Confident0 Ų047.5 Ų47.50%025%0.254CS..Hα-helixtrans-61.8-47.4177-174.766.3000112.1P11 L12 N13 N17 A18 L19 L35 L39 Y40 F48 F51 L52 M55P11-L15 PolarHBondContact O-N 3.47Å; L12-L15 HydrophobicContact CD1-CD2 4.35Å; L12-L15 WeakPolarHBondContact O-CB 3.3Å; L12-L15 PolarHBondContact O-N 3.01Å; N13-L15 VanDerWaalsContact C-N 3.32Å; N13-L15 PolarHBondContact O-N 3.25Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 2.82Å; L15-A18 PolarHBondContact O-N 3.48Å; L15-L19 HydrophobicContact CG-CD1 4.16Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 3.37Å; L15-L35 HydrophobicContact CD1-CB 4.45Å; L15-L35 HydrophobicContact CD1-CD1 4.09Å; L15-L39 HydrophobicContact CB-CD1 4Å; L15-L39 HydrophobicContact CD1-CD1 4.28Å; L15-Y40 HydrophobicContact CB-CE2 4.36Å; L15-Y40 HydrophobicContact CD2-CE2 4.12Å; L15-F48 HydrophobicContact CD1-CZ 4.08Å; L15-F51 HydrophobicContact CD2-CD1 4.17Å; L15-F51 HydrophobicContact CD2-CE1 3.58Å; L15-F51 HydrophobicContact CD2-CZ 4.44Å; L15-L52 HydrophobicContact CD1-CD1 3.63Å; L15-L52 HydrophobicContact CG-CD1 4.43Å; L15-M55 HydrophobicContact CD2-CB 4.41Å; L15-M55 HydrophobicContact CD2-CG 4.28Å
16L92.3Very high81.7Confident1 Ų143.9 Ų43.91%0.00525%0.251CS..Hα-helixtrans-62.6-39.9179-67.4173.9000112L12 N13 L19 A20 V93 I94 F97L12-L16 HydrophobicContact CD1-CG 4.35Å; L12-L16 HydrophobicContact CG-CD1 4.34Å; L12-L16 WeakPolarHBondContact O-CG 3.27Å; L12-L16 PolarHBondContact O-N 3.2Å; N13-L16 PolarHBondContact O-N 2.93Å; L16-L19 PolarHBondContact O-N 3.32Å; L16-A20 WeakPolarHBondContact O-CB 3.33Å; L16-A20 PolarHBondContact O-N 2.9Å; L16-V93 HydrophobicContact CD1-CG1 4.17Å; L16-I94 HydrophobicContact CD1-CB 4.49Å; L16-I94 HydrophobicContact CD1-CG1 3.86Å; L16-I94 HydrophobicContact CD2-CG1 4.42Å; L16-F97 HydrophobicContact CB-CD1 4.22Å; L16-F97 HydrophobicContact CB-CD2 3.7Å; L16-F97 HydrophobicContact CB-CE1 4.4Å; L16-F97 HydrophobicContact CB-CE2 3.89Å; L16-F97 HydrophobicContact CB-CG 3.89Å; L16-F97 HydrophobicContact CB-CZ 4.25Å; L16-F97 HydrophobicContact CD1-CB 3.8Å; L16-F97 HydrophobicContact CD1-CD1 4.32Å; L16-F97 HydrophobicContact CD1-CD2 4.41Å; L16-F97 HydrophobicContact CD1-CG 3.9Å
17N91.1Very high82.2Confident47 Ų4746.7 Ų46.725%0.25127%0.265SS..Hα-helixtrans-61.6-47.4174.4-80.3-65000111.5N13 G14 L15 L19 A20 Q21 H101N13-N17 PolarHBondContact ND2-ND2 2.87Å; N13-N17 PolarHBondContact O-N 2.98Å; N13-N17 PolarHBondContact O-ND2 3.46Å; G14-N17 PolarHBondContact O-N 2.94Å; L15-N17 VanDerWaalsContact C-N 3.33Å; L15-N17 PolarHBondContact O-N 2.82Å; N17-L19 PolarHBondContact O-N 3.17Å; N17-A20 PolarHBondContact O-N 2.98Å; N17-Q21 WeakPolarHBondContact O-CG 3.43Å; N17-Q21 PolarHBondContact O-N 3.21Å; N17-H101 PolarHBondContact OD1-NE2 3.49Å
18A89.9Confident82.6Confident15 Ų1545.1 Ų45.112%0.12427%0.269CS..Hα-helixtrans-64.1-42178.800000112.2G14 L15 A20 Q21 D22 I30 L35G14-A18 PolarHBondContact O-N 2.9Å; L15-A18 PolarHBondContact O-N 3.48Å; A18-A20 VanDerWaalsContact C-N 3.29Å; A18-A20 PolarHBondContact O-N 3.26Å; A18-Q21 PolarHBondContact O-N 3Å; A18-D22 WeakPolarHBondContact O-CB 3.41Å; A18-D22 PolarHBondContact O-N 3.14Å; A18-I30 HydrophobicContact CB-CD1 4.1Å; A18-I30 HydrophobicContact CB-CG2 4.04Å; A18-I30 WeakPolarHBondContact O-CD1 3.03Å; A18-L35 HydrophobicContact CB-CD1 4.46Å; A18-L35 HydrophobicContact CB-CD2 3.38Å
19L90.5Very high83Confident1 Ų146.8 Ų46.81%0.00529%0.286CS..Hα-helixtrans-61-37.8174.4-75.4174.6000112.4L15 L16 N17 T23 L52 M55 R56 L59L15-L19 HydrophobicContact CG-CD1 4.16Å; L15-L19 WeakPolarHBondContact O-CB 3.38Å; L15-L19 WeakPolarHBondContact O-CG 3.3Å; L15-L19 PolarHBondContact O-N 3.37Å; L16-L19 PolarHBondContact O-N 3.32Å; N17-L19 PolarHBondContact O-N 3.17Å; L19-T23 WeakPolarHBondContact O-CB 3.35Å; L19-T23 PolarHBondContact O-N 3.2Å; L19-T23 PolarHBondContact O-OG1 3.14Å; L19-L52 HydrophobicContact CD1-CD1 4.4Å; L19-L52 HydrophobicContact CD2-CD1 3.82Å; L19-L52 HydrophobicContact CG-CD1 4.33Å; L19-M55 HydrophobicContact CD1-CB 3.95Å; L19-R56 HydrophobicContact CD1-CB 4.35Å; L19-R56 HydrophobicContact CD2-CB 4.02Å; L19-R56 HydrophobicContact CD2-CG 4.27Å; L19-R56 VanDerWaalsContact CD2-CZ 3.46Å; L19-L59 HydrophobicContact CB-CD2 3.94Å
20A89.8Confident83.4Confident3 Ų347 Ų473%0.02528%0.278CS..Hα-helixtrans-69.2-39.1176.500000112.3L16 N17 A18 F24 H25 L59 F97 I105L16-A20 WeakPolarHBondContact O-CB 3.33Å; L16-A20 PolarHBondContact O-N 2.9Å; N17-A20 PolarHBondContact O-N 2.98Å; A18-A20 VanDerWaalsContact C-N 3.29Å; A18-A20 PolarHBondContact O-N 3.26Å; A20-F24 HydrophobicContact CB-CD2 3.97Å; A20-F24 HydrophobicContact CB-CE2 4.48Å; A20-F24 WeakPolarHBondContact O-CA 3.48Å; A20-F24 WeakPolarHBondContact O-CB 3.3Å; A20-F24 PolarHBondContact O-N 3.25Å; A20-H25 PolarHBondContact O-CD2 2.97Å; A20-H25 PolarHBondContact O-N 3.15Å; A20-L59 HydrophobicContact CB-CD2 4.33Å; A20-F97 HydrophobicContact CB-CZ 3.79Å; A20-I105 HydrophobicContact CB-CD1 4.31Å
21Q87.1Confident83.6Confident75 Ų7541.3 Ų41.335%0.3526%0.259SS..Iπ-helixtrans-62.3-46.4174.8-69.6-62.3-22.700112.2N17 A18 H25 G26 H27 I30N17-Q21 WeakPolarHBondContact O-CG 3.43Å; N17-Q21 PolarHBondContact O-N 3.21Å; A18-Q21 PolarHBondContact O-N 3Å; Q21-H25 CarbonylContact O-C 3.53Å; Q21-H25 PolarHBondContact O-N 3.39Å; Q21-G26 PolarHBondContact O-N 2.96Å; Q21-G26 VanDerWaalsContact O-N 3.14Å; Q21-H27 PolarHBondContact O-N 3.42Å; Q21-H27 PolarHBondContact OE1-CD2 2.97Å; Q21-I30 HydrophobicContact CB-CD1 3.63Å
22D86.4Confident83.6Confident46 Ų4642.2 Ų42.225%0.24626%0.261CS..Iπ-helixtrans-66-49177.5178.954000111.9A18 I30 R56A18-D22 WeakPolarHBondContact O-CB 3.41Å; A18-D22 PolarHBondContact O-N 3.14Å; D22-I30 HydrophobicContact CB-CB 4.28Å; D22-I30 HydrophobicContact CB-CD1 4.25Å; D22-R56 IonicContact OD2-CZ 3.34Å; D22-R56 VanDerWaalsContact OD2-CZ 3.3Å; D22-R56 IonicContact OD2-NH1 2.62Å; D22-R56 PolarHBondContact OD2-NH1 3.25Å; D22-R56 IonicContact OD2-NH2 2.99Å; D22-R56 PolarHBondContact OD2-NH2 3.49Å
23T83.5Confident83.4Confident35 Ų3548 Ų4822%0.21529%0.288CS..Iπ-helixtrans-83.1-35.9-170.2-49.30000113.4L19 R56 K60L19-T23 WeakPolarHBondContact O-CB 3.35Å; L19-T23 PolarHBondContact O-N 3.2Å; L19-T23 PolarHBondContact O-OG1 3.14Å; T23-R56 PolarHBondContact OG1-NH1 3.31Å; T23-K60 HydrophobicContact CG2-CD 4.42Å; T23-K60 VanDerWaalsContact CG2-CE 3.48Å; T23-K60 HydrophobicContact CG2-CG 4.07Å
24F86.2Confident83.3Confident7 Ų748.8 Ų48.83%0.03129%0.292CS..Iπ-helixtrans-116.1-21.1-170.2-52.7-58.3000114.1A20 L59 A63 I105 S108 L109 Q112A20-F24 HydrophobicContact CB-CD2 3.97Å; A20-F24 HydrophobicContact CB-CE2 4.48Å; A20-F24 WeakPolarHBondContact O-CA 3.48Å; A20-F24 WeakPolarHBondContact O-CB 3.3Å; A20-F24 PolarHBondContact O-N 3.25Å; F24-L59 HydrophobicContact CE2-CD1 4.23Å; F24-L59 HydrophobicContact CE2-CD2 3.75Å; F24-L59 HydrophobicContact CE2-CG 3.67Å; F24-L59 HydrophobicContact CZ-CD2 4.48Å; F24-L59 HydrophobicContact CZ-CG 4.05Å; F24-A63 HydrophobicContact CE1-CB 3.68Å; F24-A63 HydrophobicContact CE2-CB 4.26Å; F24-A63 HydrophobicContact CZ-CB 3.42Å; F24-A63 VanDerWaalsContact CZ-CB 3.42Å; F24-I105 HydrophobicContact CB-CG2 4.31Å; F24-I105 HydrophobicContact CD1-CG2 4.09Å; F24-I105 HydrophobicContact CD2-CB 4.44Å; F24-I105 HydrophobicContact CD2-CD1 3.92Å; F24-I105 HydrophobicContact CD2-CG1 3.89Å; F24-I105 HydrophobicContact CD2-CG2 3.73Å; F24-I105 HydrophobicContact CE1-CG2 4.33Å; F24-I105 HydrophobicContact CE2-CD1 4.04Å; F24-I105 HydrophobicContact CE2-CG1 4.44Å; F24-I105 HydrophobicContact CE2-CG2 3.99Å; F24-I105 HydrophobicContact CG-CG1 4.46Å; F24-I105 HydrophobicContact CG-CG2 3.79Å; F24-I105 HydrophobicContact CZ-CG2 4.28Å; F24-S108 WeakPolarHBondContact O-CB 3.48Å; F24-S108 PolarHBondContact O-OG 3.27Å; F24-L109 HydrophobicContact CD1-CD1 4.36Å; F24-L109 HydrophobicContact CD1-CD2 3.95Å; F24-L109 HydrophobicContact CD1-CG 4.25Å; F24-L109 HydrophobicContact CE1-CD1 4.48Å; F24-L109 HydrophobicContact CE1-CD2 4.48Å; F24-Q112 PolarHBondContact O-NE2 2.82Å
25H81.3Confident83.2Confident54 Ų5448.2 Ų48.225%0.2528%0.282CS..Iπ-helixtrans-108.2-6.7-178.7-59.6-59.7000113.2A20 Q21 S108A20-H25 PolarHBondContact O-CD2 2.97Å; A20-H25 PolarHBondContact O-N 3.15Å; Q21-H25 CarbonylContact O-C 3.53Å; Q21-H25 PolarHBondContact O-N 3.39Å; H25-S108 PolarHBondContact ND1-OG 3.49Å
26G68.4Low83Confident53 Ų5351.2 Ų51.255%0.54629%0.294SS..  trans7234.2170.700000113.6Q21 P28Q21-G26 PolarHBondContact O-N 2.96Å; Q21-G26 VanDerWaalsContact O-N 3.14Å; G26-P28 WeakPolarHBondContact O-CD 3.45Å
27H71.1Confident82.8Confident110 Ų11053.9 Ų53.951%0.50931%0.313SS..  trans-93.999.5172.8-72.1-71.6000110.5Q21 G29Q21-H27 PolarHBondContact O-N 3.42Å; Q21-H27 PolarHBondContact OE1-CD2 2.97Å; H27-G29 PolarHBondContact O-N 2.7Å
28P62.3Low82.6Confident128 Ų12858.4 Ų58.483%0.83133%0.333SS*.THydrogen-bonded Turntrans-75.420.6-172.331.4-37.6000115.2G26G26-P28 WeakPolarHBondContact O-CD 3.45Å
29G68Low82.4Confident58 Ų5859.6 Ų59.660%0.59834%0.337SS*.THydrogen-bonded Turntrans-95.8-0.8-174.700000115.5H27 T31H27-G29 PolarHBondContact O-N 2.7Å; G29-T31 PolarHBondContact O-N 2.69Å
30I79.2Confident82.3Confident41 Ų4159.6 Ų59.621%0.2134%0.337CS..  trans-99.994.4-169.9-58177.6000109.8A18 Q21 D22 L35A18-I30 HydrophobicContact CB-CD1 4.1Å; A18-I30 HydrophobicContact CB-CG2 4.04Å; A18-I30 WeakPolarHBondContact O-CD1 3.03Å; Q21-I30 HydrophobicContact CB-CD1 3.63Å; D22-I30 HydrophobicContact CB-CB 4.28Å; D22-I30 HydrophobicContact CB-CD1 4.25Å; I30-L35 HydrophobicContact CG2-CD1 3.6Å; I30-L35 HydrophobicContact CG2-CD2 3.77Å; I30-L35 HydrophobicContact CG2-CG 3.69Å
31T84.1Confident82Confident71 Ų7163.4 Ų63.444%0.43636%0.361SS..  trans-85.2151.9176.159.50000112.1G29 E33 L34 L35G29-T31 PolarHBondContact O-N 2.69Å; T31-E33 VanDerWaalsContact C-N 3.3Å; T31-E33 PolarHBondContact O-N 3.39Å; T31-L34 PolarHBondContact O-N 2.82Å; T31-L34 WeakPolarHBondContact OG1-CB 3.16Å; T31-L34 PolarHBondContact OG1-N 3.34Å; T31-L35 PolarHBondContact O-N 3.04Å; T31-L35 VanDerWaalsContact O-N 3.14Å
32E85.5Confident81.9Confident48 Ų4866.9 Ų66.922%0.22438%0.377CS..Hα-helixtrans-57.9-41.8176178.3174.1149.600112.1L34 L35 R36 F48 R49 L52E32-L34 PolarHBondContact O-N 2.93Å; E32-L35 PolarHBondContact O-N 3.48Å; E32-R36 WeakPolarHBondContact O-CB 3.4Å; E32-R36 PolarHBondContact O-N 3.4Å; E32-F48 HydrophobicContact CG-CD1 4Å; E32-F48 HydrophobicContact CG-CE1 4.02Å; E32-R49 VanDerWaalsContact OE1-CB 3.3Å; E32-R49 WeakPolarHBondContact OE1-CB 3.45Å; E32-L52 HydrophobicContact CB-CD2 4.19Å; E32-L52 HydrophobicContact CG-CD2 3.85Å
33E85.3Confident81.8Confident127 Ų12764.8 Ų64.859%0.59337%0.366SS*.Hα-helixtrans-63.8-41.9-179.2-64.172.5-159.600111.6T31 S37T31-E33 VanDerWaalsContact C-N 3.3Å; T31-E33 PolarHBondContact O-N 3.39Å; E33-S37 WeakPolarHBondContact O-CB 3.25Å; E33-S37 PolarHBondContact O-N 2.96Å; E33-S37 PolarHBondContact O-OG 3.04Å
34L86.4Confident81.9Confident79 Ų7965.7 Ų65.741%0.41437%0.373SS..Hα-helixtrans-61.9-47.6174.6-178.268.9000111T31 E32 R36 S37 Q38T31-L34 PolarHBondContact O-N 2.82Å; T31-L34 WeakPolarHBondContact OG1-CB 3.16Å; T31-L34 PolarHBondContact OG1-N 3.34Å; E32-L34 PolarHBondContact O-N 2.93Å; L34-R36 VanDerWaalsContact C-N 3.35Å; L34-R36 PolarHBondContact O-N 3.27Å; L34-S37 PolarHBondContact O-N 2.77Å; L34-S37 PolarHBondContact O-OG 3.41Å; L34-Q38 HydrophobicContact CD1-CG 4.08Å; L34-Q38 HydrophobicContact CG-CG 4.47Å; L34-Q38 WeakPolarHBondContact O-CB 3.42Å; L34-Q38 VanDerWaalsContact O-CG 3.27Å; L34-Q38 WeakPolarHBondContact O-CG 3.33Å; L34-Q38 PolarHBondContact O-N 3.49Å
35L87.1Confident81.8Confident13 Ų1368.3 Ų68.37%0.06839%0.39CS..Hα-helixtrans-62.5-43179.6-69.6176.5000112.3L15 A18 I30 T31 E32 L39 F48 L52L15-L35 HydrophobicContact CD1-CB 4.45Å; L15-L35 HydrophobicContact CD1-CD1 4.09Å; A18-L35 HydrophobicContact CB-CD1 4.46Å; A18-L35 HydrophobicContact CB-CD2 3.38Å; I30-L35 HydrophobicContact CG2-CD1 3.6Å; I30-L35 HydrophobicContact CG2-CD2 3.77Å; I30-L35 HydrophobicContact CG2-CG 3.69Å; T31-L35 PolarHBondContact O-N 3.04Å; T31-L35 VanDerWaalsContact O-N 3.14Å; E32-L35 PolarHBondContact O-N 3.48Å; L35-L39 HydrophobicContact CD2-CD1 4.15Å; L35-L39 VanDerWaalsContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.23Å; L35-L39 PolarHBondContact O-N 3.2Å; L35-F48 HydrophobicContact CB-CE1 4.22Å; L35-F48 HydrophobicContact CB-CZ 4.04Å; L35-L52 HydrophobicContact CD1-CD1 4.08Å
36R88.3Confident82.1Confident63 Ų6373.2 Ų73.224%0.23841%0.413CS..Hα-helixtrans-63-51.8177-166.9-172.769.177.94.7110.8E32 L34 Q38 Y40 P41 V43 F48E32-R36 WeakPolarHBondContact O-CB 3.4Å; E32-R36 PolarHBondContact O-N 3.4Å; L34-R36 VanDerWaalsContact C-N 3.35Å; L34-R36 PolarHBondContact O-N 3.27Å; R36-Q38 VanDerWaalsContact C-N 3.28Å; R36-Q38 PolarHBondContact O-N 3.29Å; R36-Y40 CarbonylContact O-C 2.92Å; R36-Y40 WeakPolarHBondContact O-CA 3.47Å; R36-Y40 PolarHBondContact O-N 3.16Å; R36-P41 VanDerWaalsContact O-N 3.16Å; R36-V43 WeakPolarHBondContact CD-O 3.46Å; R36-V43 PolarHBondContact NH1-O 3.45Å; R36-F48 HydrophobicContact CB-CD1 3.67Å; R36-F48 HydrophobicContact CB-CE1 3.76Å; R36-F48 HydrophobicContact CB-CG 4.16Å; R36-F48 HydrophobicContact CB-CZ 4.34Å; R36-F48 HydrophobicContact CG-CB 4.15Å; R36-F48 HydrophobicContact CG-CD1 3.89Å; R36-F48 HydrophobicContact CG-CD2 4.42Å; R36-F48 HydrophobicContact CG-CE1 4.4Å; R36-F48 HydrophobicContact CG-CG 3.89Å
37S86.7Confident82.8Confident58 Ų5874.8 Ų74.841%0.40641%0.406SS..Hα-helixtrans-60.9-34.6-177.362.60000113.5E33 L34E33-S37 WeakPolarHBondContact O-CB 3.25Å; E33-S37 PolarHBondContact O-N 2.96Å; E33-S37 PolarHBondContact O-OG 3.04Å; L34-S37 PolarHBondContact O-N 2.77Å; L34-S37 PolarHBondContact O-OG 3.41Å
38Q87.1Confident83.6Confident142 Ų14269.5 Ų69.566%0.66438%0.382SS*.Hα-helixtrans-85.6-37.4-177.6-68.4-69.2-30.100113.7L34 R36L34-Q38 HydrophobicContact CD1-CG 4.08Å; L34-Q38 HydrophobicContact CG-CG 4.47Å; L34-Q38 WeakPolarHBondContact O-CB 3.42Å; L34-Q38 VanDerWaalsContact O-CG 3.27Å; L34-Q38 WeakPolarHBondContact O-CG 3.33Å; L34-Q38 PolarHBondContact O-N 3.49Å; R36-Q38 VanDerWaalsContact C-N 3.28Å; R36-Q38 PolarHBondContact O-N 3.29Å
39L86.8Confident84.9Confident40 Ų4071.2 Ų71.221%0.20937%0.372CS..Hα-helixtrans-109.5-29.5-169.5-57.1174.5000113.4L15 L35L15-L39 HydrophobicContact CB-CD1 4Å; L15-L39 HydrophobicContact CD1-CD1 4.28Å; L35-L39 HydrophobicContact CD2-CD1 4.15Å; L35-L39 VanDerWaalsContact O-CB 3.3Å; L35-L39 WeakPolarHBondContact O-CB 3.23Å; L35-L39 PolarHBondContact O-N 3.2Å
40Y86.9Confident85.9Confident1 Ų172.4 Ų72.40%0.00437%0.369CS..  trans-140.256.4-174.2-61.7-84.2000111.6F6 P11 L12 L15 R36 E42 V43 F48 F51F6-Y40 HydrophobicContact CB-CD1 4.13Å; F6-Y40 HydrophobicContact CB-CE1 3.76Å; F6-Y40 AromaticContact CD1-CD1 3.93Å; F6-Y40 HydrophobicContact CD1-CD1 3.93Å; F6-Y40 AromaticContact CD1-CE1 3.87Å; F6-Y40 HydrophobicContact CD1-CE1 3.87Å; F6-Y40 HydrophobicContact CD2-CD1 4.42Å; F6-Y40 HydrophobicContact CE1-CD1 4.48Å; F6-Y40 AromaticContact CG-CD1 3.91Å; F6-Y40 HydrophobicContact CG-CD1 3.91Å; F6-Y40 AromaticContact CG-CE1 3.92Å; F6-Y40 HydrophobicContact CG-CE1 3.92Å; P11-Y40 HydrophobicContact CB-CE1 4Å; P11-Y40 HydrophobicContact CB-CE2 4.24Å; L12-Y40 WeakPolarHBondContact CA-OH 3.17Å; L12-Y40 PolarHBondContact N-OH 2.95Å; L15-Y40 HydrophobicContact CB-CE2 4.36Å; L15-Y40 HydrophobicContact CD2-CE2 4.12Å; R36-Y40 CarbonylContact O-C 2.92Å; R36-Y40 WeakPolarHBondContact O-CA 3.47Å; R36-Y40 PolarHBondContact O-N 3.16Å; Y40-E42 PolarHBondContact O-N 2.94Å; Y40-V43 HydrophobicContact CD1-CG2 4.16Å; Y40-V43 HydrophobicContact CG-CG2 4.42Å; Y40-V43 PolarHBondContact O-N 2.69Å; Y40-V43 VanDerWaalsContact O-N 3.09Å; Y40-F48 HydrophobicContact CD2-CD2 4.13Å; Y40-F48 AromaticContact CD2-CE2 3.41Å; Y40-F48 HydrophobicContact CD2-CE2 3.41Å; Y40-F48 VanDerWaalsContact CD2-CE2 3.41Å; Y40-F48 HydrophobicContact CD2-CZ 4.23Å; Y40-F48 HydrophobicContact CE2-CE2 4.01Å; Y40-F48 HydrophobicContact CG-CD2 4.28Å; Y40-F48 HydrophobicContact CG-CE2 4.01Å; Y40-F51 HydrophobicContact CE1-CE1 4.48Å; Y40-F51 HydrophobicContact CE2-CE1 4.35Å; Y40-F51 AromaticContact CZ-CE1 3.99Å
41P84.9Confident86.3Confident82 Ų8271 Ų7153%0.53236%0.361SS..THydrogen-bonded Turntrans-62.1-28.5-174.724.7-33.9000112.7R36 V43R36-P41 VanDerWaalsContact O-N 3.16Å; P41-V43 VanDerWaalsContact C-N 3.32Å
42E85.1Confident86.6Confident148 Ų14868.1 Ų68.169%0.69234%0.343SS*.THydrogen-bonded Turntrans-80.5-10.3-179-56.5-172.7119.300113.6F6 Y40F6-E42 HydrophobicContact CE2-CB 4.49Å; F6-E42 WeakPolarHBondContact CZ-OE2 3.28Å; Y40-E42 PolarHBondContact O-N 2.94Å
43V83.9Confident86.8Confident3 Ų368.7 Ų68.72%0.01836%0.356CS..SBendtrans-92.7129.3-177.2-179.30000110.1A3 F6 R36 Y40 P41 E47 F48A3-V43 HydrophobicContact CB-CG1 3.52Å; A3-V43 HydrophobicContact CB-CG2 4.43Å; F6-V43 HydrophobicContact CD2-CG2 4.34Å; R36-V43 WeakPolarHBondContact CD-O 3.46Å; R36-V43 PolarHBondContact NH1-O 3.45Å; Y40-V43 HydrophobicContact CD1-CG2 4.16Å; Y40-V43 HydrophobicContact CG-CG2 4.42Å; Y40-V43 PolarHBondContact O-N 2.69Å; Y40-V43 VanDerWaalsContact O-N 3.09Å; P41-V43 VanDerWaalsContact C-N 3.32Å; V43-E47 HydrophobicContact CG1-CB 4.08Å; V43-F48 HydrophobicContact CG1-CB 3.91Å
44P85.5Confident87Confident54 Ų5465.6 Ų65.635%0.35134%0.341SS..  trans-60.7144.5173.5-22.433000112E46 E47 F48P44-E46 PolarHBondContact O-N 2.92Å; P44-E47 HydrophobicContact CB-CG 4.46Å; P44-E47 HydrophobicContact CG-CG 4.48Å; P44-E47 PolarHBondContact O-N 3.44Å; P44-F48 PolarHBondContact O-N 2.88Å
45P83.8Confident87.3Confident62 Ų6261.9 Ų61.940%0.40332%0.321SS..Hα-helixtrans-52.1-42.3177.4-25.532.9000113.5E47 F48 R49P45-E47 PolarHBondContact O-N 3.39Å; P45-F48 PolarHBondContact O-N 2.98Å; P45-R49 PolarHBondContact O-N 3.48Å
46E86.9Confident87.6Confident157 Ų15764 Ų6473%0.73433%0.328SS*.Hα-helixtrans-61.5-30.1-179.4-57.6-52.8134.200113.5P44 P50P44-E46 PolarHBondContact O-N 2.92Å; E46-P50 WeakPolarHBondContact O-CD 3.33Å; E46-P50 WeakPolarHBondContact O-CG 3.45Å
47E84.9Confident87.7Confident85 Ų8562.6 Ų62.640%0.39733%0.333SS..Hα-helixtrans-91.3-29.5177.8-65-174.3-151.600112.3A2 A3 V43 P44 P45 P50A2-E47 VanDerWaalsContact CA-OE2 3.3Å; A2-E47 WeakPolarHBondContact CA-OE2 3.33Å; A3-E47 HydrophobicContact CB-CB 4.32Å; A3-E47 WeakPolarHBondContact CB-O 3.44Å; V43-E47 HydrophobicContact CG1-CB 4.08Å; P44-E47 HydrophobicContact CB-CG 4.46Å; P44-E47 HydrophobicContact CG-CG 4.48Å; P44-E47 PolarHBondContact O-N 3.44Å; P45-E47 PolarHBondContact O-N 3.39Å; E47-P50 WeakPolarHBondContact O-CD 3.38Å
48F87.5Confident88.1Confident0 Ų060.2 Ų60.20%032%0.316CS..Hα-helixtrans-69.7-39.7178-176.2-112.7000111.9L15 E32 L35 R36 Y40 V43 P44 P45 F51 L52L15-F48 HydrophobicContact CD1-CZ 4.08Å; E32-F48 HydrophobicContact CG-CD1 4Å; E32-F48 HydrophobicContact CG-CE1 4.02Å; L35-F48 HydrophobicContact CB-CE1 4.22Å; L35-F48 HydrophobicContact CB-CZ 4.04Å; R36-F48 HydrophobicContact CB-CD1 3.67Å; R36-F48 HydrophobicContact CB-CE1 3.76Å; R36-F48 HydrophobicContact CB-CG 4.16Å; R36-F48 HydrophobicContact CB-CZ 4.34Å; R36-F48 HydrophobicContact CG-CB 4.15Å; R36-F48 HydrophobicContact CG-CD1 3.89Å; R36-F48 HydrophobicContact CG-CD2 4.42Å; R36-F48 HydrophobicContact CG-CE1 4.4Å; R36-F48 HydrophobicContact CG-CG 3.89Å; Y40-F48 HydrophobicContact CD2-CD2 4.13Å; Y40-F48 AromaticContact CD2-CE2 3.41Å; Y40-F48 HydrophobicContact CD2-CE2 3.41Å; Y40-F48 VanDerWaalsContact CD2-CE2 3.41Å; Y40-F48 HydrophobicContact CD2-CZ 4.23Å; Y40-F48 HydrophobicContact CE2-CE2 4.01Å; Y40-F48 HydrophobicContact CG-CD2 4.28Å; Y40-F48 HydrophobicContact CG-CE2 4.01Å; V43-F48 HydrophobicContact CG1-CB 3.91Å; P44-F48 PolarHBondContact O-N 2.88Å; P45-F48 PolarHBondContact O-N 2.98Å; F48-F51 HydrophobicContact CD2-CD1 4.39Å; F48-F51 HydrophobicContact CE2-CD1 4.35Å; F48-F51 WeakPolarHBondContact O-CB 3.34Å; F48-F51 PolarHBondContact O-N 2.95Å; F48-F51 VanDerWaalsContact O-N 3.17Å; F48-L52 HydrophobicContact CE1-CB 4.34Å; F48-L52 HydrophobicContact CE1-CD1 4.43Å; F48-L52 HydrophobicContact CE1-CD2 4.19Å; F48-L52 HydrophobicContact CZ-CB 4.47Å; F48-L52 HydrophobicContact CZ-CD1 4.21Å; F48-L52 WeakPolarHBondContact O-CB 3.4Å; F48-L52 PolarHBondContact O-N 3.32Å
49R88.6Confident88.4Confident164 Ų16453.6 Ų53.662%0.61929%0.285SS*.Hα-helixtrans-59.8-48.9-176.5-175.3175.9178.7152.32.6113.7E32 P45 F51 L52 A53E32-R49 VanDerWaalsContact OE1-CB 3.3Å; E32-R49 WeakPolarHBondContact OE1-CB 3.45Å; P45-R49 PolarHBondContact O-N 3.48Å; R49-F51 VanDerWaalsContact C-N 3.3Å; R49-F51 PolarHBondContact O-N 3.02Å; R49-L52 PolarHBondContact O-N 3.47Å; R49-A53 WeakPolarHBondContact O-CB 3.46Å; R49-A53 PolarHBondContact O-N 3.4Å
50P88.8Confident88.6Confident82 Ų8256.4 Ų56.453%0.53230%0.295SS..Hα-helixtrans-61.7-37.2174.2-22.833.5000113E46 E47 A53 K54E46-P50 WeakPolarHBondContact O-CD 3.33Å; E46-P50 WeakPolarHBondContact O-CG 3.45Å; E47-P50 WeakPolarHBondContact O-CD 3.38Å; P50-A53 PolarHBondContact O-N 2.98Å; P50-K54 WeakPolarHBondContact O-CB 3.22Å; P50-K54 PolarHBondContact O-N 3.25Å
51F88.4Confident88.9Confident13 Ų1359.1 Ų59.16%0.05731%0.314CS..Hα-helixtrans-65.7-45.9177.5177-105.6000111.9A3 L12 L15 Y40 F48 R49 A53 K54 M55A3-F51 HydrophobicContact CB-CB 3.86Å; A3-F51 HydrophobicContact CB-CG 4.12Å; L12-F51 HydrophobicContact CD1-CZ 4.21Å; L15-F51 HydrophobicContact CD2-CD1 4.17Å; L15-F51 HydrophobicContact CD2-CE1 3.58Å; L15-F51 HydrophobicContact CD2-CZ 4.44Å; Y40-F51 HydrophobicContact CE1-CE1 4.48Å; Y40-F51 HydrophobicContact CE2-CE1 4.35Å; Y40-F51 AromaticContact CZ-CE1 3.99Å; F48-F51 HydrophobicContact CD2-CD1 4.39Å; F48-F51 HydrophobicContact CE2-CD1 4.35Å; F48-F51 WeakPolarHBondContact O-CB 3.34Å; F48-F51 PolarHBondContact O-N 2.95Å; F48-F51 VanDerWaalsContact O-N 3.17Å; R49-F51 VanDerWaalsContact C-N 3.3Å; R49-F51 PolarHBondContact O-N 3.02Å; F51-A53 PolarHBondContact O-N 3.46Å; F51-K54 WeakPolarHBondContact O-CB 3.27Å; F51-K54 PolarHBondContact O-N 3Å; F51-M55 HydrophobicContact CD2-CE 4.13Å; F51-M55 HydrophobicContact CE1-CG 4.23Å; F51-M55 HydrophobicContact CE2-CE 3.34Å; F51-M55 HydrophobicContact CE2-CG 4.14Å; F51-M55 HydrophobicContact CZ-CE 3.78Å; F51-M55 HydrophobicContact CZ-CG 3.98Å; F51-M55 WeakPolarHBondContact O-CG 3.45Å; F51-M55 PolarHBondContact O-N 2.91Å
52L89.3Confident89.3Confident9 Ų955.2 Ų55.25%0.04729%0.289CS..Hα-helixtrans-59.1-47.5175-177.570.7000111.1L15 L19 E32 L35 F48 R49 K54 M55 R56L15-L52 HydrophobicContact CD1-CD1 3.63Å; L15-L52 HydrophobicContact CG-CD1 4.43Å; L19-L52 HydrophobicContact CD1-CD1 4.4Å; L19-L52 HydrophobicContact CD2-CD1 3.82Å; L19-L52 HydrophobicContact CG-CD1 4.33Å; E32-L52 HydrophobicContact CB-CD2 4.19Å; E32-L52 HydrophobicContact CG-CD2 3.85Å; L35-L52 HydrophobicContact CD1-CD1 4.08Å; F48-L52 HydrophobicContact CE1-CB 4.34Å; F48-L52 HydrophobicContact CE1-CD1 4.43Å; F48-L52 HydrophobicContact CE1-CD2 4.19Å; F48-L52 HydrophobicContact CZ-CB 4.47Å; F48-L52 HydrophobicContact CZ-CD1 4.21Å; F48-L52 WeakPolarHBondContact O-CB 3.4Å; F48-L52 PolarHBondContact O-N 3.32Å; R49-L52 PolarHBondContact O-N 3.47Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 3.35Å; L52-M55 PolarHBondContact O-N 3.2Å; L52-R56 VanDerWaalsContact O-CB 3.27Å; L52-R56 WeakPolarHBondContact O-CB 3.49Å; L52-R56 PolarHBondContact O-N 2.96Å
53A90.1Very high89.6Confident61 Ų6148.5 Ų48.550%0.50426%0.259SS..Hα-helixtrans-60-41.1177.900000111.8R49 P50 F51 G57R49-A53 WeakPolarHBondContact O-CB 3.46Å; R49-A53 PolarHBondContact O-N 3.4Å; P50-A53 PolarHBondContact O-N 2.98Å; F51-A53 PolarHBondContact O-N 3.46Å; A53-G57 PolarHBondContact O-N 3.35Å
54K91.1Very high89.8Confident62 Ų6253.4 Ų53.427%0.2729%0.293SS..Hα-helixtrans-63.7-49.4176.5-177.6-175.3175.9-174.80112.2P50 F51 L52 R56 G57 I58 G84 G85P50-K54 WeakPolarHBondContact O-CB 3.22Å; P50-K54 PolarHBondContact O-N 3.25Å; F51-K54 WeakPolarHBondContact O-CB 3.27Å; F51-K54 PolarHBondContact O-N 3Å; L52-K54 VanDerWaalsContact C-N 3.3Å; L52-K54 PolarHBondContact O-N 3.35Å; K54-R56 VanDerWaalsContact C-N 3.33Å; K54-R56 PolarHBondContact O-N 3.06Å; K54-G57 PolarHBondContact O-N 3.35Å; K54-I58 HydrophobicContact CG-CD1 4.24Å; K54-I58 WeakPolarHBondContact O-CG1 3.37Å; K54-I58 PolarHBondContact O-N 3.32Å; K54-G84 WeakPolarHBondContact CE-O 3.33Å; K54-G84 PolarHBondContact NZ-O 3.27Å; K54-G85 PolarHBondContact NZ-O 3.39Å
55M92.3Very high90.1Very high0 Ų053.6 Ų53.60%030%0.299CS..Hα-helixtrans-64-40.1179.2-68.8-58.4159.300111.8L12 L15 L19 F51 L52 I58 L59 I86 I94L12-M55 HydrophobicContact CD1-CE 4.47Å; L12-M55 HydrophobicContact CD1-CG 4.31Å; L12-M55 HydrophobicContact CD1-SD 4.08Å; L15-M55 HydrophobicContact CD2-CB 4.41Å; L15-M55 HydrophobicContact CD2-CG 4.28Å; L19-M55 HydrophobicContact CD1-CB 3.95Å; F51-M55 HydrophobicContact CD2-CE 4.13Å; F51-M55 HydrophobicContact CE1-CG 4.23Å; F51-M55 HydrophobicContact CE2-CE 3.34Å; F51-M55 HydrophobicContact CE2-CG 4.14Å; F51-M55 HydrophobicContact CZ-CE 3.78Å; F51-M55 HydrophobicContact CZ-CG 3.98Å; F51-M55 WeakPolarHBondContact O-CG 3.45Å; F51-M55 PolarHBondContact O-N 2.91Å; L52-M55 PolarHBondContact O-N 3.2Å; M55-I58 PolarHBondContact O-N 2.88Å; M55-I58 HydrophobicContact SD-CD1 4.42Å; M55-L59 WeakPolarHBondContact O-CB 3.24Å; M55-L59 PolarHBondContact O-N 3.25Å; M55-I86 HydrophobicContact CE-CG2 3.79Å; M55-I94 HydrophobicContact SD-CD1 4.16Å
56R92Very high90.3Very high59 Ų5954.2 Ų54.222%0.22330%0.299CS..Hα-helixtrans-61.1-44.3172.6-174.8-176.4-66.2-89.613.7111.8L19 D22 T23 L52 K54 L59 K60L19-R56 HydrophobicContact CD1-CB 4.35Å; L19-R56 HydrophobicContact CD2-CB 4.02Å; L19-R56 HydrophobicContact CD2-CG 4.27Å; L19-R56 VanDerWaalsContact CD2-CZ 3.46Å; D22-R56 IonicContact OD2-CZ 3.34Å; D22-R56 VanDerWaalsContact OD2-CZ 3.3Å; D22-R56 IonicContact OD2-NH1 2.62Å; D22-R56 PolarHBondContact OD2-NH1 3.25Å; D22-R56 IonicContact OD2-NH2 2.99Å; D22-R56 PolarHBondContact OD2-NH2 3.49Å; T23-R56 PolarHBondContact OG1-NH1 3.31Å; L52-R56 VanDerWaalsContact O-CB 3.27Å; L52-R56 WeakPolarHBondContact O-CB 3.49Å; L52-R56 PolarHBondContact O-N 2.96Å; K54-R56 VanDerWaalsContact C-N 3.33Å; K54-R56 PolarHBondContact O-N 3.06Å; R56-L59 PolarHBondContact O-N 2.95Å; R56-K60 HydrophobicContact CG-CD 4.45Å; R56-K60 WeakPolarHBondContact O-CB 3.15Å; R56-K60 WeakPolarHBondContact O-CG 3.14Å; R56-K60 PolarHBondContact O-N 3.46Å
57G92.2Very high90.5Very high32 Ų3247.9 Ų47.933%0.3327%0.27SS..Hα-helixtrans-60.1-48.2177.700000112.2A53 K54 L59 K60 S61A53-G57 PolarHBondContact O-N 3.35Å; K54-G57 PolarHBondContact O-N 3.35Å; G57-L59 PolarHBondContact O-N 3.23Å; G57-K60 PolarHBondContact O-N 3.49Å; G57-S61 PolarHBondContact O-N 3.18Å; G57-S61 PolarHBondContact O-OG 3.14Å
58I93.4Very high90.9Very high9 Ų947.1 Ų47.15%0.04627%0.269CS..Hα-helixtrans-56.9-49.9176-73.9167000111K54 M55 K60 S61 I62 F75 I86 I94K54-I58 HydrophobicContact CG-CD1 4.24Å; K54-I58 WeakPolarHBondContact O-CG1 3.37Å; K54-I58 PolarHBondContact O-N 3.32Å; M55-I58 PolarHBondContact O-N 2.88Å; M55-I58 HydrophobicContact SD-CD1 4.42Å; I58-K60 VanDerWaalsContact C-N 3.34Å; I58-K60 PolarHBondContact O-N 3.27Å; I58-S61 PolarHBondContact O-N 3.26Å; I58-I62 HydrophobicContact CG2-CD1 3.68Å; I58-I62 VanDerWaalsContact O-CG1 3.31Å; I58-I62 WeakPolarHBondContact O-CG1 3.47Å; I58-I62 PolarHBondContact O-N 2.98Å; I58-F75 HydrophobicContact CG2-CE1 4.14Å; I58-I86 HydrophobicContact CD1-CG2 3.45Å; I58-I86 VanDerWaalsContact CD1-CG2 3.45Å; I58-I94 HydrophobicContact CG2-CD1 4.24Å; I58-I94 HydrophobicContact CG2-CG2 4.41Å
59L93.1Very high91Very high2 Ų251.7 Ų51.71%0.0129%0.289CS..Hα-helixtrans-63.9-39.7-177.7-17663000112L19 A20 F24 M55 R56 G57 A63 F97L19-L59 HydrophobicContact CB-CD2 3.94Å; A20-L59 HydrophobicContact CB-CD2 4.33Å; F24-L59 HydrophobicContact CE2-CD1 4.23Å; F24-L59 HydrophobicContact CE2-CD2 3.75Å; F24-L59 HydrophobicContact CE2-CG 3.67Å; F24-L59 HydrophobicContact CZ-CD2 4.48Å; F24-L59 HydrophobicContact CZ-CG 4.05Å; M55-L59 WeakPolarHBondContact O-CB 3.24Å; M55-L59 PolarHBondContact O-N 3.25Å; R56-L59 PolarHBondContact O-N 2.95Å; G57-L59 PolarHBondContact O-N 3.23Å; L59-A63 WeakPolarHBondContact O-CB 3.47Å; L59-A63 PolarHBondContact O-N 3.33Å; L59-F97 HydrophobicContact CD1-CD1 4.2Å; L59-F97 HydrophobicContact CD1-CE1 3.61Å
60K91.9Very high91.3Very high99 Ų9950.4 Ų50.443%0.4329%0.294SS..Hα-helixtrans-62.3-46.5172.8-77.1-176.8175.8-1730111.7T23 R56 G57 I58 I62 A63 S64T23-K60 HydrophobicContact CG2-CD 4.42Å; T23-K60 VanDerWaalsContact CG2-CE 3.48Å; T23-K60 HydrophobicContact CG2-CG 4.07Å; R56-K60 HydrophobicContact CG-CD 4.45Å; R56-K60 WeakPolarHBondContact O-CB 3.15Å; R56-K60 WeakPolarHBondContact O-CG 3.14Å; R56-K60 PolarHBondContact O-N 3.46Å; G57-K60 PolarHBondContact O-N 3.49Å; I58-K60 VanDerWaalsContact C-N 3.34Å; I58-K60 PolarHBondContact O-N 3.27Å; K60-I62 VanDerWaalsContact C-N 3.33Å; K60-I62 PolarHBondContact O-N 2.85Å; K60-A63 PolarHBondContact O-N 2.87Å; K60-S64 VanDerWaalsContact O-CB 3.27Å; K60-S64 WeakPolarHBondContact O-CB 3.44Å; K60-S64 PolarHBondContact O-N 3.46Å; K60-S64 PolarHBondContact O-OG 2.74Å
61S93.3Very high91.5Very high58 Ų5851.2 Ų51.241%0.40629%0.291SS..Hα-helixtrans-59.9-42.8178.6-65.10000112.6G57 I58 A65G57-S61 PolarHBondContact O-N 3.18Å; G57-S61 PolarHBondContact O-OG 3.14Å; I58-S61 PolarHBondContact O-N 3.26Å; S61-A65 WeakPolarHBondContact O-CB 3.35Å; S61-A65 PolarHBondContact O-N 3.28Å
62I93.9Very high91.8Very high1 Ų150.6 Ų50.61%0.00529%0.288CS..Hα-helixtrans-62.8-47.8177.3-66.3163.7000110.5I58 K60 D66 M67 L72 F75 I94 W98I58-I62 HydrophobicContact CG2-CD1 3.68Å; I58-I62 VanDerWaalsContact O-CG1 3.31Å; I58-I62 WeakPolarHBondContact O-CG1 3.47Å; I58-I62 PolarHBondContact O-N 2.98Å; K60-I62 VanDerWaalsContact C-N 3.33Å; K60-I62 PolarHBondContact O-N 2.85Å; I62-D66 PolarHBondContact O-N 2.91Å; I62-M67 HydrophobicContact CB-SD 4.46Å; I62-M67 HydrophobicContact CG1-SD 4.17Å; I62-M67 HydrophobicContact CG2-CB 4.38Å; I62-M67 PolarHBondContact O-N 2.87Å; I62-L72 HydrophobicContact CD1-CD1 3.58Å; I62-L72 HydrophobicContact CG1-CD1 3.81Å; I62-L72 HydrophobicContact CG2-CD1 3.89Å; I62-F75 HydrophobicContact CD1-CD1 4.49Å; I62-F75 HydrophobicContact CD1-CE1 4.38Å; I62-F75 HydrophobicContact CG1-CD1 4.08Å; I62-F75 HydrophobicContact CG1-CE1 4.03Å; I62-I94 HydrophobicContact CD1-CG2 3.77Å; I62-W98 HydrophobicContact CG2-CD2 3.38Å; I62-W98 HydrophobicContact CG2-CE3 3.66Å; I62-W98 HydrophobicContact CG2-CG 3.91Å; I62-W98 HydrophobicContact CG2-CH2 4Å; I62-W98 HydrophobicContact CG2-CZ2 3.7Å; I62-W98 HydrophobicContact CG2-CZ3 3.96Å
63A91.6Very high92.1Very high7 Ų754.3 Ų54.36%0.05831%0.305CS..Hα-helixtrans-70-43.3-17700000113.1F24 L59 K60 A65 D66 W98 I105 L109F24-A63 HydrophobicContact CE1-CB 3.68Å; F24-A63 HydrophobicContact CE2-CB 4.26Å; F24-A63 HydrophobicContact CZ-CB 3.42Å; F24-A63 VanDerWaalsContact CZ-CB 3.42Å; L59-A63 WeakPolarHBondContact O-CB 3.47Å; L59-A63 PolarHBondContact O-N 3.33Å; K60-A63 PolarHBondContact O-N 2.87Å; A63-A65 VanDerWaalsContact C-N 3.28Å; A63-A65 PolarHBondContact O-N 2.94Å; A63-D66 PolarHBondContact O-N 3.47Å; A63-D66 VanDerWaalsContact O-N 3.11Å; A63-W98 HydrophobicContact CB-CH2 4.09Å; A63-W98 HydrophobicContact CB-CZ3 4.18Å; A63-I105 HydrophobicContact CB-CG2 4.04Å; A63-L109 HydrophobicContact CB-CD1 4.2Å
64S87.4Confident92.3Very high105 Ų10554.4 Ų54.473%0.73431%0.306SS*.Hα-helixtrans-66.2-28.7-179.2-65.50000113.3K60K60-S64 VanDerWaalsContact O-CB 3.27Å; K60-S64 WeakPolarHBondContact O-CB 3.44Å; K60-S64 PolarHBondContact O-N 3.46Å; K60-S64 PolarHBondContact O-OG 2.74Å
65A90.9Very high92.5Very high58 Ų5853.4 Ų53.448%0.47930%0.302SS..THydrogen-bonded Turntrans-92.23.1175.300000113.4S61 A63 M67S61-A65 WeakPolarHBondContact O-CB 3.35Å; S61-A65 PolarHBondContact O-N 3.28Å; A63-A65 VanDerWaalsContact C-N 3.28Å; A63-A65 PolarHBondContact O-N 2.94Å; A65-M67 HydrophobicContact CB-CE 3.88Å; A65-M67 HydrophobicContact CB-CG 3.81Å; A65-M67 PolarHBondContact O-N 2.85Å; A65-M67 VanDerWaalsContact O-N 3.12Å
66D88Confident92.6Very high76 Ų7653.6 Ų53.641%0.40630%0.303SS..THydrogen-bonded Turntrans44.441.2-174.4-167.420.1000113.6I62 A63 D68 K102I62-D66 PolarHBondContact O-N 2.91Å; A63-D66 PolarHBondContact O-N 3.47Å; A63-D66 VanDerWaalsContact O-N 3.11Å; D66-D68 PolarHBondContact O-N 3.36Å; D66-K102 PolarHBondContact O-NZ 3.34Å; D66-K102 WeakPolarHBondContact OD1-CE 3.35Å; D66-K102 IonicContact OD1-NZ 3.42Å; D66-K102 PolarHBondContact OD1-NZ 3.46Å
67M92.5Very high92.7Very high24 Ų2453.9 Ų53.912%0.11831%0.311CS..  trans-55.9131-166.1-64.2-173.817800112.2I62 A65 Q71 F75 W98 K102I62-M67 HydrophobicContact CB-SD 4.46Å; I62-M67 HydrophobicContact CG1-SD 4.17Å; I62-M67 HydrophobicContact CG2-CB 4.38Å; I62-M67 PolarHBondContact O-N 2.87Å; A65-M67 HydrophobicContact CB-CE 3.88Å; A65-M67 HydrophobicContact CB-CG 3.81Å; A65-M67 PolarHBondContact O-N 2.85Å; A65-M67 VanDerWaalsContact O-N 3.12Å; M67-Q71 HydrophobicContact CB-CB 4.02Å; M67-Q71 HydrophobicContact CG-CB 4.33Å; M67-F75 HydrophobicContact CE-CB 4.34Å; M67-F75 HydrophobicContact CE-CD2 3.86Å; M67-F75 HydrophobicContact CE-CE2 4.32Å; M67-F75 HydrophobicContact CE-CG 4.04Å; M67-F75 HydrophobicContact SD-CB 3.94Å; M67-F75 HydrophobicContact SD-CD1 4.4Å; M67-F75 HydrophobicContact SD-CD2 4.44Å; M67-F75 HydrophobicContact SD-CG 4.01Å; M67-W98 PolarHBondContact O-NE1 2.93Å; M67-K102 PolarHBondContact O-NZ 3.25Å
68D92.6Very high92.8Very high68 Ų6855.1 Ų55.136%0.36432%0.318SS..  trans-73.2176.9166.471.945.2000111.7D66 N70 Q71 L72D66-D68 PolarHBondContact O-N 3.36Å; D68-N70 VanDerWaalsContact C-N 3.33Å; D68-N70 PolarHBondContact O-N 2.95Å; D68-N70 WeakPolarHBondContact OD1-CA 3.45Å; D68-N70 WeakPolarHBondContact OD1-CB 3.4Å; D68-N70 PolarHBondContact OD1-N 3.39Å; D68-Q71 PolarHBondContact O-N 3.43Å; D68-Q71 WeakPolarHBondContact OD1-CG 3.38Å; D68-Q71 PolarHBondContact OD1-N 3.01Å; D68-Q71 PolarHBondContact OD2-OE1 2.96Å; D68-L72 VanDerWaalsContact O-CB 3.26Å; D68-L72 WeakPolarHBondContact O-CB 3.13Å; D68-L72 PolarHBondContact O-N 3.43Å
69F90.3Very high92.7Very high97 Ų9756.5 Ų56.543%0.42532%0.324SS..Hα-helixtrans-65.5-34-176.7-66.3-56.7000113.6E73 K99F69-E73 VanDerWaalsContact O-CG 3.24Å; F69-E73 WeakPolarHBondContact O-CG 3.34Å; F69-E73 PolarHBondContact O-N 3.33Å; F69-E73 VanDerWaalsContact O-N 3.08Å; F69-K99 HydrophobicContact CD1-CD 4.5Å; F69-K99 HydrophobicContact CD1-CG 3.78Å; F69-K99 HydrophobicContact CE1-CB 4.03Å; F69-K99 HydrophobicContact CE1-CD 4.24Å; F69-K99 HydrophobicContact CE1-CG 3.13Å; F69-K99 HydrophobicContact CZ-CB 4.44Å; F69-K99 HydrophobicContact CZ-CG 3.8Å
70N93.5Very high92.6Very high137 Ų13758.9 Ų58.973%0.73334%0.339SS*.Hα-helixtrans-71.9-43.2179.1-62.9-30.7000110.3D68 E73 A74D68-N70 VanDerWaalsContact C-N 3.33Å; D68-N70 PolarHBondContact O-N 2.95Å; D68-N70 WeakPolarHBondContact OD1-CA 3.45Å; D68-N70 WeakPolarHBondContact OD1-CB 3.4Å; D68-N70 PolarHBondContact OD1-N 3.39Å; N70-E73 PolarHBondContact O-N 3.02Å; N70-A74 WeakPolarHBondContact O-CB 3.4Å; N70-A74 PolarHBondContact O-N 3.45Å; N70-A74 VanDerWaalsContact O-N 3.1Å
71Q94.4Very high92.5Very high98 Ų9862.4 Ų62.446%0.45835%0.354SS..Hα-helixtrans-63.2-41.9175.9-67.7174.9-33.100111.7M67 D68 F75M67-Q71 HydrophobicContact CB-CB 4.02Å; M67-Q71 HydrophobicContact CG-CB 4.33Å; D68-Q71 PolarHBondContact O-N 3.43Å; D68-Q71 WeakPolarHBondContact OD1-CG 3.38Å; D68-Q71 PolarHBondContact OD1-N 3.01Å; D68-Q71 PolarHBondContact OD2-OE1 2.96Å; Q71-F75 VanDerWaalsContact O-CB 3.26Å; Q71-F75 WeakPolarHBondContact O-CB 3.47Å; Q71-F75 PolarHBondContact O-N 3.22Å
72L94.9Very high92.3Very high0 Ų066.2 Ų66.20%036%0.364CS..Hα-helixtrans-61.2-49.8176.5178.772.2000111.7I62 D68 A74 F75 L76 W98I62-L72 HydrophobicContact CD1-CD1 3.58Å; I62-L72 HydrophobicContact CG1-CD1 3.81Å; I62-L72 HydrophobicContact CG2-CD1 3.89Å; D68-L72 VanDerWaalsContact O-CB 3.26Å; D68-L72 WeakPolarHBondContact O-CB 3.13Å; D68-L72 PolarHBondContact O-N 3.43Å; L72-A74 VanDerWaalsContact C-N 3.33Å; L72-A74 PolarHBondContact O-N 3.45Å; L72-F75 PolarHBondContact O-N 3.2Å; L72-L76 HydrophobicContact CD1-CD1 4.01Å; L72-L76 HydrophobicContact CD1-CG 4.14Å; L72-L76 HydrophobicContact CD2-CD1 4.39Å; L72-L76 HydrophobicContact CG-CD1 3.87Å; L72-L76 HydrophobicContact CG-CG 4.3Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.08Å; L72-W98 HydrophobicContact CD1-CG 4.43Å; L72-W98 HydrophobicContact CD2-CB 3.94Å; L72-W98 HydrophobicContact CD2-CG 4.06Å
73E94.1Very high91.6Very high88 Ų8875.5 Ų75.541%0.41141%0.407SS..Hα-helixtrans-63-41.3-178.5-70.3-67.7129.800111.2F69 N70 T77 S95F69-E73 VanDerWaalsContact O-CG 3.24Å; F69-E73 WeakPolarHBondContact O-CG 3.34Å; F69-E73 PolarHBondContact O-N 3.33Å; F69-E73 VanDerWaalsContact O-N 3.08Å; N70-E73 PolarHBondContact O-N 3.02Å; E73-T77 VanDerWaalsContact O-CB 3.31Å; E73-T77 WeakPolarHBondContact O-CB 3.49Å; E73-T77 PolarHBondContact O-N 3.46Å; E73-T77 PolarHBondContact O-OG1 3.14Å; E73-S95 WeakPolarHBondContact OE1-CB 3.47Å; E73-S95 PolarHBondContact OE1-OG 3.44Å
74A95.2Very high91Very high63 Ų6378.3 Ų78.352%0.52144%0.437SS..Hα-helixtrans-62.6-43.9173.900000112N70 L72 T77 A78N70-A74 WeakPolarHBondContact O-CB 3.4Å; N70-A74 PolarHBondContact O-N 3.45Å; N70-A74 VanDerWaalsContact O-N 3.1Å; L72-A74 VanDerWaalsContact C-N 3.33Å; L72-A74 PolarHBondContact O-N 3.45Å; A74-T77 PolarHBondContact O-N 3.43Å; A74-A78 PolarHBondContact O-N 3.01Å
75F94.9Very high90.9Very high41 Ų4174.1 Ų74.118%0.1841%0.41CS..Hα-helixtrans-62.6-48.1177.5177.3-97.8000111.9I58 I62 M67 Q71 L72 T77 A78 Q79I58-F75 HydrophobicContact CG2-CE1 4.14Å; I62-F75 HydrophobicContact CD1-CD1 4.49Å; I62-F75 HydrophobicContact CD1-CE1 4.38Å; I62-F75 HydrophobicContact CG1-CD1 4.08Å; I62-F75 HydrophobicContact CG1-CE1 4.03Å; M67-F75 HydrophobicContact CE-CB 4.34Å; M67-F75 HydrophobicContact CE-CD2 3.86Å; M67-F75 HydrophobicContact CE-CE2 4.32Å; M67-F75 HydrophobicContact CE-CG 4.04Å; M67-F75 HydrophobicContact SD-CB 3.94Å; M67-F75 HydrophobicContact SD-CD1 4.4Å; M67-F75 HydrophobicContact SD-CD2 4.44Å; M67-F75 HydrophobicContact SD-CG 4.01Å; Q71-F75 VanDerWaalsContact O-CB 3.26Å; Q71-F75 WeakPolarHBondContact O-CB 3.47Å; Q71-F75 PolarHBondContact O-N 3.22Å; L72-F75 PolarHBondContact O-N 3.2Å; F75-T77 VanDerWaalsContact C-N 3.33Å; F75-T77 PolarHBondContact O-N 2.93Å; F75-A78 WeakPolarHBondContact O-CB 3.42Å; F75-A78 PolarHBondContact O-N 2.93Å; F75-A78 VanDerWaalsContact O-N 3.14Å; F75-Q79 HydrophobicContact CD1-CG 4.18Å; F75-Q79 HydrophobicContact CE1-CG 3.77Å; F75-Q79 HydrophobicContact CE2-CG 4.49Å; F75-Q79 HydrophobicContact CZ-CG 3.95Å; F75-Q79 WeakPolarHBondContact O-CG 3.44Å; F75-Q79 PolarHBondContact O-N 2.94Å
76L94.5Very high90.8Very high4 Ų471.6 Ų71.62%0.02139%0.389CS..Hα-helixtrans-64.8-38.4178.6-67.1174.8000111.5L72 A78 Q79 T80 I86 A91 I94L72-L76 HydrophobicContact CD1-CD1 4.01Å; L72-L76 HydrophobicContact CD1-CG 4.14Å; L72-L76 HydrophobicContact CD2-CD1 4.39Å; L72-L76 HydrophobicContact CG-CD1 3.87Å; L72-L76 HydrophobicContact CG-CG 4.3Å; L72-L76 WeakPolarHBondContact O-CB 3.47Å; L72-L76 WeakPolarHBondContact O-CG 3.33Å; L72-L76 PolarHBondContact O-N 3.08Å; L76-A78 VanDerWaalsContact C-N 3.28Å; L76-A78 PolarHBondContact O-N 2.96Å; L76-Q79 PolarHBondContact O-N 3.41Å; L76-Q79 VanDerWaalsContact O-N 3.08Å; L76-T80 WeakPolarHBondContact O-CG2 3.39Å; L76-T80 PolarHBondContact O-N 3.26Å; L76-I86 HydrophobicContact CD2-CD1 3.78Å; L76-A91 HydrophobicContact CB-CB 4.1Å; L76-A91 HydrophobicContact CD1-CB 4.44Å; L76-A91 WeakPolarHBondContact CD1-O 3.26Å; L76-I94 HydrophobicContact CD1-CB 4.49Å; L76-I94 HydrophobicContact CD1-CG2 4.36Å; L76-I94 HydrophobicContact CD2-CB 4.17Å; L76-I94 HydrophobicContact CD2-CD1 4.3Å; L76-I94 HydrophobicContact CD2-CG2 3.82Å
77T93.8Very high90.9Very high65 Ų6570.8 Ų70.840%0.39939%0.387SS..Hα-helixtrans-61.2-35.9173.2-600000112.1E73 A74 F75 T80 K81E73-T77 VanDerWaalsContact O-CB 3.31Å; E73-T77 WeakPolarHBondContact O-CB 3.49Å; E73-T77 PolarHBondContact O-N 3.46Å; E73-T77 PolarHBondContact O-OG1 3.14Å; A74-T77 PolarHBondContact O-N 3.43Å; F75-T77 VanDerWaalsContact C-N 3.33Å; F75-T77 PolarHBondContact O-N 2.93Å; T77-T80 PolarHBondContact O-OG1 2.96Å; T77-K81 WeakPolarHBondContact O-CG 3.41Å; T77-K81 PolarHBondContact O-N 3.38Å
78A93.9Very high90.7Very high57 Ų5774 Ų7447%0.47141%0.411SS..Hα-helixtrans-70.3-37.5173.100000111.7A74 F75 L76 T80 K81 K82A74-A78 PolarHBondContact O-N 3.01Å; F75-A78 WeakPolarHBondContact O-CB 3.42Å; F75-A78 PolarHBondContact O-N 2.93Å; F75-A78 VanDerWaalsContact O-N 3.14Å; L76-A78 VanDerWaalsContact C-N 3.28Å; L76-A78 PolarHBondContact O-N 2.96Å; A78-T80 VanDerWaalsContact C-N 3.32Å; A78-T80 PolarHBondContact O-N 3.43Å; A78-K81 PolarHBondContact O-N 3.04Å; A78-K82 PolarHBondContact O-N 3.15Å
79Q91.9Very high90.6Very high38 Ų3875 Ų7518%0.17842%0.417CS..Hα-helixtrans-67.8-28.4177-66.8-59.3-39.700113.2F75 L76 G85 I86F75-Q79 HydrophobicContact CD1-CG 4.18Å; F75-Q79 HydrophobicContact CE1-CG 3.77Å; F75-Q79 HydrophobicContact CE2-CG 4.49Å; F75-Q79 HydrophobicContact CZ-CG 3.95Å; F75-Q79 WeakPolarHBondContact O-CG 3.44Å; F75-Q79 PolarHBondContact O-N 2.94Å; L76-Q79 PolarHBondContact O-N 3.41Å; L76-Q79 VanDerWaalsContact O-N 3.08Å; Q79-G85 CarbonylContact O-C 3.59Å; Q79-G85 WeakPolarHBondContact O-CA 3.47Å; Q79-I86 HydrophobicContact CB-CD1 3.81Å; Q79-I86 HydrophobicContact CB-CG1 3.77Å; Q79-I86 PolarHBondContact O-N 3.47Å
80T90.7Very high90.5Very high53 Ų5370.8 Ų70.833%0.32540%0.398SS..Hα-helixtrans-77.3-28.2175.457.20000113.1L76 T77 A78 I86 A91L76-T80 WeakPolarHBondContact O-CG2 3.39Å; L76-T80 PolarHBondContact O-N 3.26Å; T77-T80 PolarHBondContact O-OG1 2.96Å; A78-T80 VanDerWaalsContact C-N 3.32Å; A78-T80 PolarHBondContact O-N 3.43Å; T80-I86 WeakPolarHBondContact CA-O 3.28Å; T80-I86 HydrophobicContact CG2-CG1 3.95Å; T80-I86 WeakPolarHBondContact CG2-O 3.33Å; T80-A91 HydrophobicContact CG2-CB 3.99Å
81K89.4Confident90.4Very high173 Ų17364.8 Ų64.875%0.75237%0.368SS*.Hα-helixtrans-80.2-16.1177.1-69.4176-178-179.70113.8T77 A78T77-K81 WeakPolarHBondContact O-CG 3.41Å; T77-K81 PolarHBondContact O-N 3.38Å; A78-K81 PolarHBondContact O-N 3.04Å
82K89.3Confident90.3Very high137 Ų13762.9 Ų62.960%0.59637%0.369SS*.SBendtrans-73.3137.4-178.8-169.7175.7178.3-179.90110.5A78 G84 G85A78-K82 PolarHBondContact O-N 3.15Å; K82-G84 PolarHBondContact O-N 3.14Å; K82-G85 VanDerWaalsContact O-CA 3.24Å; K82-G85 WeakPolarHBondContact O-CA 3.41Å; K82-G85 PolarHBondContact O-N 3.35Å
83Q80.1Confident90.3Very high196 Ų19664.1 Ų64.192%0.91638%0.376SS*.THydrogen-bonded Turntrans-62.6127.6171.7-166.4-175.624.100109.8G85Q83-G85 PolarHBondContact O-N 3.15Å
84G79.6Confident90.2Very high66 Ų6660 Ų6068%0.6836%0.357SS*.THydrogen-bonded Turntrans69.517.3-170.100000113.6K54 K82K54-G84 WeakPolarHBondContact CE-O 3.33Å; K54-G84 PolarHBondContact NZ-O 3.27Å; K82-G84 PolarHBondContact O-N 3.14Å
85G84.3Confident90.2Very high18 Ų1857.3 Ų57.319%0.18634%0.335CS..  trans-72.6-173.5175.600000113.8K54 Q79 K82 Q83K54-G85 PolarHBondContact NZ-O 3.39Å; Q79-G85 CarbonylContact O-C 3.59Å; Q79-G85 WeakPolarHBondContact O-CA 3.47Å; K82-G85 VanDerWaalsContact O-CA 3.24Å; K82-G85 WeakPolarHBondContact O-CA 3.41Å; K82-G85 PolarHBondContact O-N 3.35Å; Q83-G85 PolarHBondContact O-N 3.15Å
86I89.8Confident90.1Very high5 Ų563 Ų633%0.02636%0.359CS..  trans-84.8156.4-179.764.1-179.8000111M55 I58 L76 Q79 T80 Q90 A91 I94M55-I86 HydrophobicContact CE-CG2 3.79Å; I58-I86 HydrophobicContact CD1-CG2 3.45Å; I58-I86 VanDerWaalsContact CD1-CG2 3.45Å; L76-I86 HydrophobicContact CD2-CD1 3.78Å; Q79-I86 HydrophobicContact CB-CD1 3.81Å; Q79-I86 HydrophobicContact CB-CG1 3.77Å; Q79-I86 PolarHBondContact O-N 3.47Å; T80-I86 WeakPolarHBondContact CA-O 3.28Å; T80-I86 HydrophobicContact CG2-CG1 3.95Å; T80-I86 WeakPolarHBondContact CG2-O 3.33Å; I86-Q90 VanDerWaalsContact CA-OE1 3.32Å; I86-Q90 HydrophobicContact CB-CB 4.09Å; I86-A91 HydrophobicContact CD1-CB 3.88Å; I86-A91 HydrophobicContact CG1-CB 4.45Å; I86-I94 HydrophobicContact CD1-CD1 3.88Å
87T89.9Confident90.1Very high59 Ų5963 Ų6336%0.36236%0.359SS..  trans-78.3164.7173.471.40000111.4D89 Q90 A91T87-D89 VanDerWaalsContact C-N 3.27Å; T87-D89 PolarHBondContact O-N 2.77Å; T87-Q90 PolarHBondContact O-N 2.66Å; T87-Q90 VanDerWaalsContact OG1-CG 3.25Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.44Å; T87-Q90 PolarHBondContact OG1-N 2.59Å; T87-A91 PolarHBondContact O-N 3.04Å
88S88.2Confident90.1Very high90 Ų9060 Ų6063%0.62934%0.34SS*.Hα-helixtrans-60-38.1176.2-171.40000112.1A91 A92S88-A91 WeakPolarHBondContact O-CB 3.45Å; S88-A91 PolarHBondContact O-N 3.41Å; S88-A92 PolarHBondContact O-N 3.28Å
89D89.2Confident90Very high91 Ų9162.9 Ų62.949%0.48734%0.342SS..Hα-helixtrans-69.2-39.4178-62.2-41.5000112T87 A91 A92 V93T87-D89 VanDerWaalsContact C-N 3.27Å; T87-D89 PolarHBondContact O-N 2.77Å; D89-A91 VanDerWaalsContact C-N 3.32Å; D89-A91 PolarHBondContact O-N 3.04Å; D89-A92 PolarHBondContact O-N 2.87Å; D89-V93 WeakPolarHBondContact O-CG2 3.24Å; D89-V93 PolarHBondContact O-N 3.46Å
90Q89.4Confident90Very high7 Ų765.1 Ų65.13%0.03336%0.362CS..Hα-helixtrans-60.4-44.1172.9-69.9172.4-4.400110.8G4 L12 I86 T87 A92 V93 I94G4-Q90 PolarHBondContact O-NE2 3.47Å; L12-Q90 HydrophobicContact CD2-CB 3.9Å; L12-Q90 HydrophobicContact CD2-CG 3.79Å; I86-Q90 VanDerWaalsContact CA-OE1 3.32Å; I86-Q90 HydrophobicContact CB-CB 4.09Å; T87-Q90 PolarHBondContact O-N 2.66Å; T87-Q90 VanDerWaalsContact OG1-CG 3.25Å; T87-Q90 WeakPolarHBondContact OG1-CG 3.44Å; T87-Q90 PolarHBondContact OG1-N 2.59Å; Q90-A92 PolarHBondContact O-N 3.03Å; Q90-V93 PolarHBondContact O-N 3.28Å; Q90-I94 WeakPolarHBondContact O-CD1 3.31Å; Q90-I94 VanDerWaalsContact O-CG1 3.22Å; Q90-I94 WeakPolarHBondContact O-CG1 3.36Å; Q90-I94 PolarHBondContact O-N 3.08Å
91A91.9Very high90.1Very high12 Ų1264.3 Ų64.310%0.09936%0.355CS..Hα-helixtrans-59.7-44.2175.400000112L76 T80 I86 T87 S88 D89 V93 I94 S95L76-A91 HydrophobicContact CB-CB 4.1Å; L76-A91 HydrophobicContact CD1-CB 4.44Å; L76-A91 WeakPolarHBondContact CD1-O 3.26Å; T80-A91 HydrophobicContact CG2-CB 3.99Å; I86-A91 HydrophobicContact CD1-CB 3.88Å; I86-A91 HydrophobicContact CG1-CB 4.45Å; T87-A91 PolarHBondContact O-N 3.04Å; S88-A91 WeakPolarHBondContact O-CB 3.45Å; S88-A91 PolarHBondContact O-N 3.41Å; D89-A91 VanDerWaalsContact C-N 3.32Å; D89-A91 PolarHBondContact O-N 3.04Å; A91-V93 VanDerWaalsContact C-N 3.35Å; A91-V93 PolarHBondContact O-N 2.84Å; A91-I94 PolarHBondContact O-N 2.9Å; A91-S95 WeakPolarHBondContact O-CB 3.27Å; A91-S95 PolarHBondContact O-N 3.1Å
92A92.1Very high90.2Very high58 Ų5858 Ų5848%0.47933%0.328SS..Hα-helixtrans-61.1-41.9177.600000112.4S88 D89 Q90 S95 K96S88-A92 PolarHBondContact O-N 3.28Å; D89-A92 PolarHBondContact O-N 2.87Å; Q90-A92 PolarHBondContact O-N 3.03Å; A92-S95 PolarHBondContact O-N 2.76Å; A92-K96 WeakPolarHBondContact O-CB 3.31Å; A92-K96 PolarHBondContact O-N 2.82Å
93V93.3Very high90.2Very high25 Ų2555.4 Ų55.415%0.15232%0.323CS..Hα-helixtrans-65-43.6175.8175.50000111.2L12 N13 L16 D89 Q90 A91 K96 F97L12-V93 HydrophobicContact CB-CG1 4.19Å; L12-V93 HydrophobicContact CD2-CB 3.84Å; L12-V93 HydrophobicContact CD2-CG1 3.87Å; L12-V93 HydrophobicContact CD2-CG2 4.32Å; L12-V93 HydrophobicContact CG-CB 4.4Å; L12-V93 HydrophobicContact CG-CG1 3.87Å; N13-V93 HydrophobicContact CB-CG1 4.1Å; L16-V93 HydrophobicContact CD1-CG1 4.17Å; D89-V93 WeakPolarHBondContact O-CG2 3.24Å; D89-V93 PolarHBondContact O-N 3.46Å; Q90-V93 PolarHBondContact O-N 3.28Å; A91-V93 VanDerWaalsContact C-N 3.35Å; A91-V93 PolarHBondContact O-N 2.84Å; V93-K96 PolarHBondContact O-N 3.21Å; V93-F97 WeakPolarHBondContact O-CB 3.44Å; V93-F97 PolarHBondContact O-N 2.95Å
94I93.1Very high90.7Very high2 Ų252.1 Ų52.11%0.0131%0.306CS..Hα-helixtrans-63.6-43.2177.4-65.4160.2000110.9L16 M55 I58 I62 L76 I86 Q90 A91 K96 F97 W98L16-I94 HydrophobicContact CD1-CB 4.49Å; L16-I94 HydrophobicContact CD1-CG1 3.86Å; L16-I94 HydrophobicContact CD2-CG1 4.42Å; M55-I94 HydrophobicContact SD-CD1 4.16Å; I58-I94 HydrophobicContact CG2-CD1 4.24Å; I58-I94 HydrophobicContact CG2-CG2 4.41Å; I62-I94 HydrophobicContact CD1-CG2 3.77Å; L76-I94 HydrophobicContact CD1-CB 4.49Å; L76-I94 HydrophobicContact CD1-CG2 4.36Å; L76-I94 HydrophobicContact CD2-CB 4.17Å; L76-I94 HydrophobicContact CD2-CD1 4.3Å; L76-I94 HydrophobicContact CD2-CG2 3.82Å; I86-I94 HydrophobicContact CD1-CD1 3.88Å; Q90-I94 WeakPolarHBondContact O-CD1 3.31Å; Q90-I94 VanDerWaalsContact O-CG1 3.22Å; Q90-I94 WeakPolarHBondContact O-CG1 3.36Å; Q90-I94 PolarHBondContact O-N 3.08Å; A91-I94 PolarHBondContact O-N 2.9Å; I94-K96 PolarHBondContact O-N 3.02Å; I94-F97 PolarHBondContact O-N 3.45Å; I94-W98 PolarHBondContact O-N 3.45Å
95S94Very high91.2Very high7 Ų749 Ų495%0.04927%0.273CS..Hα-helixtrans-59.6-46.3176.6-177.70000111.1E73 A91 A92 W98 K99E73-S95 WeakPolarHBondContact OE1-CB 3.47Å; E73-S95 PolarHBondContact OE1-OG 3.44Å; A91-S95 WeakPolarHBondContact O-CB 3.27Å; A91-S95 PolarHBondContact O-N 3.1Å; A92-S95 PolarHBondContact O-N 2.76Å; S95-W98 PolarHBondContact O-N 3.36Å; S95-K99 WeakPolarHBondContact O-CB 3.4Å; S95-K99 WeakPolarHBondContact O-CG 3.26Å; S95-K99 PolarHBondContact O-N 2.87Å
96K93.8Very high91.5Very high161 Ų16152.5 Ų52.570%0.728%0.281SS*.Hα-helixtrans-64.6-41.4176.3-171.5176.1-179.6177.30112.6A92 V93 I94 S100A92-K96 WeakPolarHBondContact O-CB 3.31Å; A92-K96 PolarHBondContact O-N 2.82Å; V93-K96 PolarHBondContact O-N 3.21Å; I94-K96 PolarHBondContact O-N 3.02Å; K96-S100 PolarHBondContact O-N 3.42Å
97F94.3Very high91.3Very high2 Ų256.9 Ų56.91%0.00930%0.301CS..Hα-helixtrans-59.9-50.8176.5171.1-91.2000111.2L16 A20 L59 V93 I94 K99 S100 H101 I105L16-F97 HydrophobicContact CB-CD1 4.22Å; L16-F97 HydrophobicContact CB-CD2 3.7Å; L16-F97 HydrophobicContact CB-CE1 4.4Å; L16-F97 HydrophobicContact CB-CE2 3.89Å; L16-F97 HydrophobicContact CB-CG 3.89Å; L16-F97 HydrophobicContact CB-CZ 4.25Å; L16-F97 HydrophobicContact CD1-CB 3.8Å; L16-F97 HydrophobicContact CD1-CD1 4.32Å; L16-F97 HydrophobicContact CD1-CD2 4.41Å; L16-F97 HydrophobicContact CD1-CG 3.9Å; A20-F97 HydrophobicContact CB-CZ 3.79Å; L59-F97 HydrophobicContact CD1-CD1 4.2Å; L59-F97 HydrophobicContact CD1-CE1 3.61Å; V93-F97 WeakPolarHBondContact O-CB 3.44Å; V93-F97 PolarHBondContact O-N 2.95Å; I94-F97 PolarHBondContact O-N 3.45Å; F97-K99 PolarHBondContact O-N 2.78Å; F97-S100 PolarHBondContact O-N 3.14Å; F97-S100 VanDerWaalsContact O-N 3.14Å; F97-H101 AromaticContact CD2-CE1 3.91Å; F97-H101 AromaticContact CD2-ND1 3.54Å; F97-H101 HydrophobicContact CE1-CB 4.17Å; F97-H101 HydrophobicContact CE2-CB 4.31Å; F97-H101 AromaticContact CE2-CE1 3.79Å; F97-H101 AromaticContact CE2-CG 3.72Å; F97-H101 AromaticContact CE2-ND1 3.47Å; F97-H101 WeakPolarHBondContact CE2-ND1 3.35Å; F97-H101 HydrophobicContact CZ-CB 3.94Å; F97-H101 AromaticContact CZ-CG 3.83Å; F97-H101 AromaticContact CZ-ND1 3.99Å; F97-H101 PolarHBondContact O-N 3.22Å; F97-H101 PolarHBondContact O-ND1 3.15Å; F97-I105 HydrophobicContact CE1-CD1 4.13Å; F97-I105 HydrophobicContact CZ-CD1 4.29Å
98W94.4Very high91.1Very high3 Ų355 Ų551%0.01129%0.29CS..Hα-helixtrans-62.6-43.1-178.9-173.6-114.4000112I62 A63 M67 L72 I94 S95 S100 H101 K102 I105I62-W98 HydrophobicContact CG2-CD2 3.38Å; I62-W98 HydrophobicContact CG2-CE3 3.66Å; I62-W98 HydrophobicContact CG2-CG 3.91Å; I62-W98 HydrophobicContact CG2-CH2 4Å; I62-W98 HydrophobicContact CG2-CZ2 3.7Å; I62-W98 HydrophobicContact CG2-CZ3 3.96Å; A63-W98 HydrophobicContact CB-CH2 4.09Å; A63-W98 HydrophobicContact CB-CZ3 4.18Å; M67-W98 PolarHBondContact O-NE1 2.93Å; L72-W98 HydrophobicContact CD1-CG 4.43Å; L72-W98 HydrophobicContact CD2-CB 3.94Å; L72-W98 HydrophobicContact CD2-CG 4.06Å; I94-W98 PolarHBondContact O-N 3.45Å; S95-W98 PolarHBondContact O-N 3.36Å; W98-S100 PolarHBondContact O-N 3.43Å; W98-S100 VanDerWaalsContact O-N 3.15Å; W98-H101 PolarHBondContact O-N 2.89Å; W98-H101 VanDerWaalsContact O-N 3.15Å; W98-K102 HydrophobicContact CD2-CB 4.07Å; W98-K102 HydrophobicContact CE3-CB 4.49Å; W98-K102 HydrophobicContact CH2-CB 4.38Å; W98-K102 HydrophobicContact CH2-CG 4.19Å; W98-K102 HydrophobicContact CZ2-CB 3.98Å; W98-K102 HydrophobicContact CZ2-CD 3.9Å; W98-K102 HydrophobicContact CZ2-CG 3.6Å; W98-K102 VanDerWaalsContact O-CB 3.28Å; W98-K102 WeakPolarHBondContact O-CB 3.33Å; W98-K102 PolarHBondContact O-N 2.94Å; W98-I105 HydrophobicContact CE3-CD1 4.27Å; W98-I105 HydrophobicContact CH2-CG2 4.44Å; W98-I105 HydrophobicContact CZ3-CB 4.36Å; W98-I105 HydrophobicContact CZ3-CD1 3.84Å; W98-I105 HydrophobicContact CZ3-CG2 4.19Å
99K91.7Very high90.9Very high117 Ų11753 Ų5351%0.50927%0.272SS..Hα-helixtrans-50-39.3173.5-81.5168.5-177.1170.20112.8F69 S95 F97F69-K99 HydrophobicContact CD1-CD 4.5Å; F69-K99 HydrophobicContact CD1-CG 3.78Å; F69-K99 HydrophobicContact CE1-CB 4.03Å; F69-K99 HydrophobicContact CE1-CD 4.24Å; F69-K99 HydrophobicContact CE1-CG 3.13Å; F69-K99 HydrophobicContact CZ-CB 4.44Å; F69-K99 HydrophobicContact CZ-CG 3.8Å; S95-K99 WeakPolarHBondContact O-CB 3.4Å; S95-K99 WeakPolarHBondContact O-CG 3.26Å; S95-K99 PolarHBondContact O-N 2.87Å; F97-K99 PolarHBondContact O-N 2.78Å
100S91.8Very high90.5Very high86 Ų8652.3 Ų52.360%0.60127%0.267SS*.Hα-helixtrans-88-24.5-178-173.10000114.4K96 F97 W98K96-S100 PolarHBondContact O-N 3.42Å; F97-S100 PolarHBondContact O-N 3.14Å; F97-S100 VanDerWaalsContact O-N 3.14Å; W98-S100 PolarHBondContact O-N 3.43Å; W98-S100 VanDerWaalsContact O-N 3.15Å
101H91.7Very high89.9Confident36 Ų3655.7 Ų55.717%0.16729%0.286CS..Hα-helixtrans-114.2-12.8-169.1-66.185.5000114.5N17 F97 W98 T103 K104 I105N17-H101 PolarHBondContact OD1-NE2 3.49Å; F97-H101 AromaticContact CD2-CE1 3.91Å; F97-H101 AromaticContact CD2-ND1 3.54Å; F97-H101 HydrophobicContact CE1-CB 4.17Å; F97-H101 HydrophobicContact CE2-CB 4.31Å; F97-H101 AromaticContact CE2-CE1 3.79Å; F97-H101 AromaticContact CE2-CG 3.72Å; F97-H101 AromaticContact CE2-ND1 3.47Å; F97-H101 WeakPolarHBondContact CE2-ND1 3.35Å; F97-H101 HydrophobicContact CZ-CB 3.94Å; F97-H101 AromaticContact CZ-CG 3.83Å; F97-H101 AromaticContact CZ-ND1 3.99Å; F97-H101 PolarHBondContact O-N 3.22Å; F97-H101 PolarHBondContact O-ND1 3.15Å; W98-H101 PolarHBondContact O-N 2.89Å; W98-H101 VanDerWaalsContact O-N 3.15Å; H101-T103 VanDerWaalsContact C-N 3.32Å; H101-T103 PolarHBondContact O-N 2.89Å; H101-K104 PolarHBondContact O-N 3.47Å; H101-K104 VanDerWaalsContact O-N 3.14Å; H101-I105 HydrophobicContact CB-CD1 3.88Å; H101-I105 HydrophobicContact CB-CG1 4.36Å; H101-I105 WeakPolarHBondContact O-CG1 3.46Å; H101-I105 PolarHBondContact O-N 2.85Å
102K91.8Very high88.9Confident41 Ų4159.9 Ų59.918%0.17830%0.303CS..Hα-helixtrans-47.2-52.5-177.7175.1172.2-176.1161.50112.3D66 M67 W98 K104 I105 R106D66-K102 PolarHBondContact O-NZ 3.34Å; D66-K102 WeakPolarHBondContact OD1-CE 3.35Å; D66-K102 IonicContact OD1-NZ 3.42Å; D66-K102 PolarHBondContact OD1-NZ 3.46Å; M67-K102 PolarHBondContact O-NZ 3.25Å; W98-K102 HydrophobicContact CD2-CB 4.07Å; W98-K102 HydrophobicContact CE3-CB 4.49Å; W98-K102 HydrophobicContact CH2-CB 4.38Å; W98-K102 HydrophobicContact CH2-CG 4.19Å; W98-K102 HydrophobicContact CZ2-CB 3.98Å; W98-K102 HydrophobicContact CZ2-CD 3.9Å; W98-K102 HydrophobicContact CZ2-CG 3.6Å; W98-K102 VanDerWaalsContact O-CB 3.28Å; W98-K102 WeakPolarHBondContact O-CB 3.33Å; W98-K102 PolarHBondContact O-N 2.94Å; K102-K104 PolarHBondContact O-N 2.85Å; K102-I105 PolarHBondContact O-N 3.11Å; K102-R106 VanDerWaalsContact O-CB 3.24Å; K102-R106 WeakPolarHBondContact O-CB 3.32Å; K102-R106 PolarHBondContact O-N 3.33Å
103T90.3Very high87.8Confident81 Ų8162.1 Ų62.150%0.49732%0.315SS..Hα-helixtrans-60.2-46.7-176.5-50.90000112.1H101 R106 E107H101-T103 VanDerWaalsContact C-N 3.32Å; H101-T103 PolarHBondContact O-N 2.89Å; T103-R106 PolarHBondContact O-N 3.31Å; T103-E107 WeakPolarHBondContact O-CB 3.47Å; T103-E107 WeakPolarHBondContact O-CG 3.24Å; T103-E107 PolarHBondContact O-N 3.27Å
104K90.4Very high86.4Confident128 Ų12867.9 Ų67.956%0.55733%0.334SS*.Hα-helixtrans-66.8-41.4179.8-67.4-176178.8-179.30112.3H101 K102 S108H101-K104 PolarHBondContact O-N 3.47Å; H101-K104 VanDerWaalsContact O-N 3.14Å; K102-K104 PolarHBondContact O-N 2.85Å; K104-S108 WeakPolarHBondContact O-CB 3.46Å; K104-S108 PolarHBondContact O-N 3.08Å
105I90.3Very high84.8Confident0 Ų079.6 Ų79.60%038%0.378CS..Hα-helixtrans-64.7-46.4177.1-69.1170.6000109.7A20 F24 A63 F97 W98 H101 K102 S108 L109A20-I105 HydrophobicContact CB-CD1 4.31Å; F24-I105 HydrophobicContact CB-CG2 4.31Å; F24-I105 HydrophobicContact CD1-CG2 4.09Å; F24-I105 HydrophobicContact CD2-CB 4.44Å; F24-I105 HydrophobicContact CD2-CD1 3.92Å; F24-I105 HydrophobicContact CD2-CG1 3.89Å; F24-I105 HydrophobicContact CD2-CG2 3.73Å; F24-I105 HydrophobicContact CE1-CG2 4.33Å; F24-I105 HydrophobicContact CE2-CD1 4.04Å; F24-I105 HydrophobicContact CE2-CG1 4.44Å; F24-I105 HydrophobicContact CE2-CG2 3.99Å; F24-I105 HydrophobicContact CG-CG1 4.46Å; F24-I105 HydrophobicContact CG-CG2 3.79Å; F24-I105 HydrophobicContact CZ-CG2 4.28Å; A63-I105 HydrophobicContact CB-CG2 4.04Å; F97-I105 HydrophobicContact CE1-CD1 4.13Å; F97-I105 HydrophobicContact CZ-CD1 4.29Å; W98-I105 HydrophobicContact CE3-CD1 4.27Å; W98-I105 HydrophobicContact CH2-CG2 4.44Å; W98-I105 HydrophobicContact CZ3-CB 4.36Å; W98-I105 HydrophobicContact CZ3-CD1 3.84Å; W98-I105 HydrophobicContact CZ3-CG2 4.19Å; H101-I105 HydrophobicContact CB-CD1 3.88Å; H101-I105 HydrophobicContact CB-CG1 4.36Å; H101-I105 WeakPolarHBondContact O-CG1 3.46Å; H101-I105 PolarHBondContact O-N 2.85Å; K102-I105 PolarHBondContact O-N 3.11Å; I105-S108 PolarHBondContact O-N 3.37Å; I105-L109 HydrophobicContact CG2-CD1 3.93Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; I105-L109 WeakPolarHBondContact O-CB 3.42Å; I105-L109 WeakPolarHBondContact O-CG 3.48Å; I105-L109 PolarHBondContact O-N 3.3Å
106R89.2Confident83.2Confident92 Ų9282 Ų8235%0.34739%0.391SS..Hα-helixtrans-60-47.3176.7-173.2-174.668.694.55.4111.6K102 T103 S108 L109 M110K102-R106 VanDerWaalsContact O-CB 3.24Å; K102-R106 WeakPolarHBondContact O-CB 3.32Å; K102-R106 PolarHBondContact O-N 3.33Å; T103-R106 PolarHBondContact O-N 3.31Å; R106-S108 VanDerWaalsContact C-N 3.34Å; R106-S108 PolarHBondContact O-N 3.22Å; R106-L109 PolarHBondContact O-N 2.85Å; R106-M110 HydrophobicContact CG-CG 4.44Å; R106-M110 HydrophobicContact CG-SD 4.13Å; R106-M110 PolarHBondContact NH1-SD 2.99Å; R106-M110 WeakPolarHBondContact O-CB 3.27Å; R106-M110 VanDerWaalsContact O-CG 3.24Å; R106-M110 WeakPolarHBondContact O-CG 3.23Å; R106-M110 PolarHBondContact O-N 3.42Å
107E86.7Confident82Confident96 Ų9678 Ų7845%0.44938%0.383SS..Hα-helixtrans-60-43.7175.8-78.5172.2-174.100112T103 M110 N111T103-E107 WeakPolarHBondContact O-CB 3.47Å; T103-E107 WeakPolarHBondContact O-CG 3.24Å; T103-E107 PolarHBondContact O-N 3.27Å; E107-M110 PolarHBondContact O-N 2.82Å; E107-N111 WeakPolarHBondContact O-CB 3.36Å; E107-N111 PolarHBondContact O-N 2.58Å; E107-N111 PolarHBondContact O-ND2 3.33Å
108S85.2Confident81.3Confident19 Ų1979.5 Ų79.513%0.13340%0.399CS..Hα-helixtrans-62.1-45.7177.1-159.50000111.8F24 H25 K104 I105 R106 N111 Q112F24-S108 WeakPolarHBondContact O-CB 3.48Å; F24-S108 PolarHBondContact O-OG 3.27Å; H25-S108 PolarHBondContact ND1-OG 3.49Å; K104-S108 WeakPolarHBondContact O-CB 3.46Å; K104-S108 PolarHBondContact O-N 3.08Å; I105-S108 PolarHBondContact O-N 3.37Å; R106-S108 VanDerWaalsContact C-N 3.34Å; R106-S108 PolarHBondContact O-N 3.22Å; S108-N111 PolarHBondContact O-N 3.01Å; S108-Q112 WeakPolarHBondContact O-CG 3.43Å; S108-Q112 PolarHBondContact O-N 2.89Å
109L83.7Confident81Confident49 Ų4984.2 Ų84.226%0.25742%0.424SS..Hα-helixtrans-62.7-45.8175.7-73.1172.3000111.6F24 A63 I105 R106 N111 Q112 S113F24-L109 HydrophobicContact CD1-CD1 4.36Å; F24-L109 HydrophobicContact CD1-CD2 3.95Å; F24-L109 HydrophobicContact CD1-CG 4.25Å; F24-L109 HydrophobicContact CE1-CD1 4.48Å; F24-L109 HydrophobicContact CE1-CD2 4.48Å; A63-L109 HydrophobicContact CB-CD1 4.2Å; I105-L109 HydrophobicContact CG2-CD1 3.93Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; I105-L109 WeakPolarHBondContact O-CB 3.42Å; I105-L109 WeakPolarHBondContact O-CG 3.48Å; I105-L109 PolarHBondContact O-N 3.3Å; R106-L109 PolarHBondContact O-N 2.85Å; L109-N111 VanDerWaalsContact C-N 3.31Å; L109-N111 PolarHBondContact O-N 3.25Å; L109-Q112 PolarHBondContact O-N 2.92Å; L109-Q112 VanDerWaalsContact O-N 3.15Å; L109-S113 WeakPolarHBondContact O-CB 3.38Å; L109-S113 PolarHBondContact O-N 3.12Å; L109-S113 PolarHBondContact O-OG 2.87Å; L109-S113 VanDerWaalsContact O-OG 3.08Å
110M81.6Confident80.9Confident76 Ų7683.4 Ų83.437%0.37442%0.418SS..Hα-helixtrans-60.6-41.4175.5-73.317977.800111.6R106 E107 Q112 S113 R114R106-M110 HydrophobicContact CG-CG 4.44Å; R106-M110 HydrophobicContact CG-SD 4.13Å; R106-M110 PolarHBondContact NH1-SD 2.99Å; R106-M110 WeakPolarHBondContact O-CB 3.27Å; R106-M110 VanDerWaalsContact O-CG 3.24Å; R106-M110 WeakPolarHBondContact O-CG 3.23Å; R106-M110 PolarHBondContact O-N 3.42Å; E107-M110 PolarHBondContact O-N 2.82Å; M110-Q112 VanDerWaalsContact C-N 3.34Å; M110-S113 PolarHBondContact O-N 3.43Å; M110-R114 WeakPolarHBondContact O-CG 3.47Å; M110-R114 PolarHBondContact O-N 3.2Å
111N76.2Confident80.8Confident79 Ų7980.4 Ų80.442%0.42240%0.4SS..Hα-helixtrans-63.8-41.8175.3-73-21.1000110.7E107 S108 L109 S113 R114 N116E107-N111 WeakPolarHBondContact O-CB 3.36Å; E107-N111 PolarHBondContact O-N 2.58Å; E107-N111 PolarHBondContact O-ND2 3.33Å; S108-N111 PolarHBondContact O-N 3.01Å; L109-N111 VanDerWaalsContact C-N 3.31Å; L109-N111 PolarHBondContact O-N 3.25Å; N111-S113 VanDerWaalsContact C-N 3.34Å; N111-S113 PolarHBondContact O-N 2.67Å; N111-R114 PolarHBondContact O-N 3.13Å; N111-N116 PolarHBondContact O-ND2 3.13Å; N111-N116 PolarHBondContact O-OD1 3.44Å; N111-N116 VanDerWaalsContact O-OD1 3.13Å
112Q71.9Confident81Confident100 Ų10083.4 Ų83.447%0.46742%0.416SS..Hα-helixtrans-66.5-32.7175.6-71.7173.224.500113.6F24 S108 L109 M110F24-Q112 PolarHBondContact O-NE2 2.82Å; S108-Q112 WeakPolarHBondContact O-CG 3.43Å; S108-Q112 PolarHBondContact O-N 2.89Å; L109-Q112 PolarHBondContact O-N 2.92Å; L109-Q112 VanDerWaalsContact O-N 3.15Å; M110-Q112 VanDerWaalsContact C-N 3.34Å
113S68.3Low81.2Confident104 Ų10484.8 Ų84.873%0.72743%0.431SS*.Hα-helixtrans-84.4-17.8178.4-59.10000113.9L109 M110 N111L109-S113 WeakPolarHBondContact O-CB 3.38Å; L109-S113 PolarHBondContact O-N 3.12Å; L109-S113 PolarHBondContact O-OG 2.87Å; L109-S113 VanDerWaalsContact O-OG 3.08Å; M110-S113 PolarHBondContact O-N 3.43Å; N111-S113 VanDerWaalsContact C-N 3.34Å; N111-S113 PolarHBondContact O-N 2.67Å
114R65.1Low81.4Confident147 Ų14789 Ų8956%0.55544%0.438SS*.SBendtrans-66.2142.9167.7-77.6165.7180-171.2-2.9108M110 N111 N116M110-R114 WeakPolarHBondContact O-CG 3.47Å; M110-R114 PolarHBondContact O-N 3.2Å; N111-R114 PolarHBondContact O-N 3.13Å; R114-N116 PolarHBondContact O-N 3.24Å
115W58.4Low81.6Confident247 Ų24790 Ų9094%0.93644%0.439SS*.  trans-58.176.1175.4-60.585.8000110S117W115-S117 VanDerWaalsContact C-N 3.33Å
116N59.7Low81.7Confident58 Ų5894 Ų9431%0.3146%0.463SS..  trans-72-34.8-170.9-86.2-25.2000110.4N111 R114 G118 K151N111-N116 PolarHBondContact O-ND2 3.13Å; N111-N116 PolarHBondContact O-OD1 3.44Å; N111-N116 VanDerWaalsContact O-OD1 3.13Å; R114-N116 PolarHBondContact O-N 3.24Å; N116-G118 PolarHBondContact O-N 2.63Å; N116-K151 HydrophobicContact CB-CB 4.36Å; N116-K151 HydrophobicContact CB-CD 4.01Å; N116-K151 HydrophobicContact CB-CG 3.97Å; N116-K151 VanDerWaalsContact O-CA 3.23Å; N116-K151 WeakPolarHBondContact O-CA 3.45Å
117S68.6Low81.7Confident78 Ų7892.1 Ų92.155%0.54546%0.46SS..EExtended strand (participates in β ladder)trans-80.1111.2171.150.40000108.9W115W115-S117 VanDerWaalsContact C-N 3.33Å
118G81Confident81.6Confident32 Ų3290.1 Ų90.133%0.3346%0.464SS..EExtended strand (participates in β ladder)trans-119.1161.7172.200000111.3N116 R120 G150N116-G118 PolarHBondContact O-N 2.63Å; G118-R120 PolarHBondContact O-N 3.13Å; G118-G150 PolarHBondContact N-O 3.45Å; G118-G150 PolarHBondContact O-N 2.79Å; G118-G150 VanDerWaalsContact O-N 3.13Å
119L87.9Confident81Confident103 Ų10394 Ų9454%0.53948%0.479SS..EExtended strand (participates in β ladder)trans-73116.1160.9-178.967.9000107.9G121 L147 L149L119-G121 WeakPolarHBondContact CD1-O 3.42Å; L119-L147 HydrophobicContact CD1-CB 3.76Å; L119-L147 HydrophobicContact CD1-CD2 3.84Å; L119-L147 HydrophobicContact CD1-CG 4.28Å; L119-L149 HydrophobicContact CB-CD2 4.44Å; L119-L149 HydrophobicContact CD1-CD2 3.89Å
120R88.9Confident79.9Confident100 Ų10097.5 Ų97.538%0.37751%0.507SS..EExtended strand (participates in β ladder)trans-96.9-35.5-175.9-68.4177.1162.9-144.6-21.6112.9G118 E148 G150 K151 Q154 S156G118-R120 PolarHBondContact O-N 3.13Å; R120-E148 HydrophobicContact CB-CB 4.27Å; R120-E148 HydrophobicContact CB-CG 3.96Å; R120-E148 WeakPolarHBondContact CD-OE1 3.15Å; R120-E148 PolarHBondContact N-O 2.67Å; R120-G150 VanDerWaalsContact NE-C 3.32Å; R120-G150 PolarHBondContact NE-O 3.43Å; R120-G150 VanDerWaalsContact NE-O 3.13Å; R120-K151 PolarHBondContact NH2-O 3.47Å; R120-Q154 PolarHBondContact NH1-O 2.81Å; R120-S156 WeakPolarHBondContact CD-OG 3.4Å; R120-S156 PolarHBondContact NH1-OG 2.87Å
121G90.6Very high79.1Confident22 Ų2299.2 Ų99.223%0.22751%0.514CS..EExtended strand (participates in β ladder)trans-148.7147.8-17400000110.1L119 E148L119-G121 WeakPolarHBondContact CD1-O 3.42Å; G121-E148 PolarHBondContact O-N 2.82Å
122L94.7Very high78.2Confident99 Ų9999.6 Ų99.652%0.51852%0.523SS..EExtended strand (participates in β ladder)trans-135119.4171-178.3153.6000107.3I145 E146 L147L122-I145 HydrophobicContact CD1-CG2 4.42Å; L122-I145 HydrophobicContact CG-CG2 4.21Å; L122-E146 WeakPolarHBondContact CA-O 3.34Å; L122-L147 HydrophobicContact CB-CD2 4.33Å; L122-L147 HydrophobicContact CD1-CD2 3.69Å; L122-L147 HydrophobicContact CG-CD2 3.91Å
123S95.9Very high77.6Confident70 Ų70106.6 Ų106.649%0.4955%0.545SS..EExtended strand (participates in β ladder)trans-118.1141.6173.4-65.80000108.4E146S123-E146 PolarHBondContact N-O 3.41Å; S123-E146 PolarHBondContact O-N 2.9Å
124W95.4Very high77.3Confident169 Ų169110.2 Ų110.264%0.6455%0.551SS**EExtended strand (participates in β ladder)trans-146.9156.1176.975.6-71.4000111.8V126 I144 I145W124-V126 HydrophobicContact CE3-CG2 3.94Å; W124-V126 HydrophobicContact CH2-CG2 4.12Å; W124-V126 HydrophobicContact CZ3-CG2 3.28Å; W124-I144 CarbonylContact C-O 3.59Å; W124-I144 WeakPolarHBondContact CA-O 3.34Å; W124-I145 HydrophobicContact CB-CG1 4.04Å
125R94.8Very high76.6Confident150 Ų150106.1 Ų106.157%0.56654%0.544SS*.EExtended strand (participates in β ladder)trans-146.3162.6169.869.2-179.4-163.5-138.3-1.1110.6D127 A143 I144R125-D127 WeakPolarHBondContact CD-OD1 3.24Å; R125-D127 IonicContact CZ-OD2 2.69Å; R125-D127 IonicContact NE-OD1 2.97Å; R125-D127 PolarHBondContact NE-OD1 2.82Å; R125-D127 VanDerWaalsContact NE-OD1 3.13Å; R125-D127 IonicContact NE-OD2 3.3Å; R125-D127 PolarHBondContact NE-OD2 2.86Å; R125-D127 IonicContact NH2-OD2 2.94Å; R125-D127 PolarHBondContact NH2-OD2 3.32Å; R125-A143 WeakPolarHBondContact O-CA 3.21Å; R125-I144 HydrophobicContact CG-CB 4.25Å; R125-I144 PolarHBondContact N-O 3.13Å; R125-I144 PolarHBondContact O-N 2.86Å
126V92Very high76.7Confident83 Ų8399.4 Ų99.450%0.50354%0.541SS..EExtended strand (participates in β ladder)trans-112.5119.2174.9-176.10000108.6W124 P141 V142W124-V126 HydrophobicContact CE3-CG2 3.94Å; W124-V126 HydrophobicContact CH2-CG2 4.12Å; W124-V126 HydrophobicContact CZ3-CG2 3.28Å; V126-P141 HydrophobicContact CG1-CB 3.87Å; V126-V142 CarbonylContact C-O 3.58Å; V126-V142 WeakPolarHBondContact CA-O 3.47Å
127D89.6Confident76.6Confident54 Ų54104.2 Ų104.229%0.28956%0.562SS.*EExtended strand (participates in β ladder)trans-108.6153.9176.9-68.1-3.9000109.3R125 P141 V142 I144R125-D127 WeakPolarHBondContact CD-OD1 3.24Å; R125-D127 IonicContact CZ-OD2 2.69Å; R125-D127 IonicContact NE-OD1 2.97Å; R125-D127 PolarHBondContact NE-OD1 2.82Å; R125-D127 VanDerWaalsContact NE-OD1 3.13Å; R125-D127 IonicContact NE-OD2 3.3Å; R125-D127 PolarHBondContact NE-OD2 2.86Å; R125-D127 IonicContact NH2-OD2 2.94Å; R125-D127 PolarHBondContact NH2-OD2 3.32Å; D127-P141 CarbonylContact O-C 3.55Å; D127-P141 WeakPolarHBondContact O-CA 3.38Å; D127-V142 HydrophobicContact CB-CG1 4.27Å; D127-V142 PolarHBondContact N-O 3.48Å; D127-V142 PolarHBondContact O-N 3.38Å; D127-I144 HydrophobicContact CB-CD1 4.33Å; D127-I144 WeakPolarHBondContact OD2-CD1 3.02Å
128G83.3Confident76.1Confident53 Ų53105.5 Ų105.555%0.54656%0.562SS.*EExtended strand (participates in β ladder)trans-94.2126.3167.600000109.5S130G128-S130 PolarHBondContact O-N 2.79Å
129K73.1Confident75.2Confident102 Ų102112.6 Ų112.644%0.44359%0.586SS.*PPolyproline II helixtrans-65.9122.4173.1-71.2-170.5177.8-178.30109.8T140 V142 E162K129-T140 PolarHBondContact N-O 3.31Å; K129-V142 HydrophobicContact CG-CB 4.38Å; K129-V142 HydrophobicContact CG-CG1 4Å; K129-E162 WeakPolarHBondContact CE-OE1 3.45Å; K129-E162 IonicContact NZ-OE1 3.13Å; K129-E162 PolarHBondContact NZ-OE1 3.34Å
130S61Low74.7Confident121 Ų121111 Ų11185%0.84658%0.581SS**PPolyproline II helixtrans-85.3143.9177-165.90000111.2G128G128-S130 PolarHBondContact O-N 2.79Å
131Q64.3Low74.5Confident112 Ų112109.7 Ų109.752%0.52359%0.585SS.*PPolyproline II helixtrans-58.8148.7-173-72.8179.4-20.700114.6S135Q131-S135 PolarHBondContact NE2-O 2.62Å
132S57Low74.6Confident87 Ų87109 Ų10961%0.60858%0.577SS**PPolyproline II helixtrans-87156.5153.873.80000109.8H134S132-H134 PolarHBondContact O-N 3.34Å
133R59.5Low74.5Confident247 Ų247104.8 Ų104.893%0.93256%0.556SS**THydrogen-bonded Turntrans-60.61.4-164.7-64.9-177.6175-160-1.6117
134H61.6Low74.4Confident181 Ų181103.7 Ų103.784%0.83854%0.544SS*.THydrogen-bonded Turntrans-125.113.1-167.9-65.8-56.2000116.3S132S132-H134 PolarHBondContact O-N 3.34Å
135S51.8Low74.4Confident60 Ų6096.9 Ų96.942%0.4252%0.52SS..  trans-141.6131-180520000113Q131 Q137Q131-S135 PolarHBondContact NE2-O 2.62Å; S135-Q137 PolarHBondContact O-N 2.97Å
136A60.4Low74.5Confident106 Ų10693.2 Ų93.288%0.87651%0.509SS*.SBendtrans-81.41.3-16600000116.4
137Q57.3Low74.7Confident160 Ų16090.9 Ų90.975%0.74849%0.494SS*.  trans-154145176.3-150.7165.11.800109S135S135-Q137 PolarHBondContact O-N 2.97Å
138I58Low74.9Confident104 Ų10491 Ų9153%0.53349%0.492SS..  trans157.7105.8134.7-75.6153.7000109.4T140I138-T140 WeakPolarHBondContact CG2-OG1 3.05Å
139H62.7Low75.3Confident181 Ų18191.7 Ų91.784%0.83848%0.483SS*.  trans-92.767.4161.3-71.7-80.8000108.3P141H139-P141 VanDerWaalsContact O-CD 3.31Å; H139-P141 WeakPolarHBondContact O-CD 3.39Å
140T76.3Confident75.9Confident71 Ų7187.2 Ų87.244%0.43647%0.466SS..  trans-77.5118.8175.5-680000108.3K129 I138K129-T140 PolarHBondContact N-O 3.31Å; I138-T140 WeakPolarHBondContact CG2-OG1 3.05Å
141P85.9Confident76.8Confident72 Ų7286.1 Ų86.147%0.46845%0.446SS..EExtended strand (participates in β ladder)trans-65.4141.2174.328.6-33.7000109.5V126 D127 H139V126-P141 HydrophobicContact CG1-CB 3.87Å; D127-P141 CarbonylContact O-C 3.55Å; D127-P141 WeakPolarHBondContact O-CA 3.38Å; H139-P141 VanDerWaalsContact O-CD 3.31Å; H139-P141 WeakPolarHBondContact O-CD 3.39Å
142V91.2Very high76.9Confident8 Ų891 Ų915%0.04846%0.462CS..EExtended strand (participates in β ladder)trans-134.6133177.776.70000109.8V126 D127 K129 E162 F163V126-V142 CarbonylContact C-O 3.58Å; V126-V142 WeakPolarHBondContact CA-O 3.47Å; D127-V142 HydrophobicContact CB-CG1 4.27Å; D127-V142 PolarHBondContact N-O 3.48Å; D127-V142 PolarHBondContact O-N 3.38Å; K129-V142 HydrophobicContact CG-CB 4.38Å; K129-V142 HydrophobicContact CG-CG1 4Å; V142-E162 HydrophobicContact CB-CG 4.44Å; V142-E162 HydrophobicContact CG1-CG 4.44Å; V142-E162 HydrophobicContact CG2-CG 3.2Å; V142-F163 VanDerWaalsContact CG2-O 3.27Å; V142-F163 WeakPolarHBondContact CG2-O 3.48Å
143A93.7Very high77.5Confident10 Ų1090.5 Ų90.58%0.08347%0.47CS..EExtended strand (participates in β ladder)trans-87.6126.2175.500000109.5R125 E162 F163 V168R125-A143 WeakPolarHBondContact O-CA 3.21Å; A143-E162 CarbonylContact O-C 3.57Å; A143-E162 WeakPolarHBondContact O-CA 3.48Å; A143-F163 HydrophobicContact CB-CB 4.45Å; A143-F163 PolarHBondContact N-O 2.81Å; A143-F163 PolarHBondContact O-N 2.86Å; A143-V168 HydrophobicContact CB-CG2 3.87Å
144I94.3Very high78.2Confident46 Ų4684.4 Ų84.424%0.23645%0.452CS..EExtended strand (participates in β ladder)trans-103.6120.8169.4-56.7179000106.8W124 R125 D127 L161W124-I144 CarbonylContact C-O 3.59Å; W124-I144 WeakPolarHBondContact CA-O 3.34Å; R125-I144 HydrophobicContact CG-CB 4.25Å; R125-I144 PolarHBondContact N-O 3.13Å; R125-I144 PolarHBondContact O-N 2.86Å; D127-I144 HydrophobicContact CB-CD1 4.33Å; D127-I144 WeakPolarHBondContact OD2-CD1 3.02Å; I144-L161 WeakPolarHBondContact CA-O 3.45Å
145I94.8Very high79.3Confident27 Ų2784.9 Ų84.914%0.13845%0.454CS..EExtended strand (participates in β ladder)trans-116.9129.7-179.2-56.5-175.9000108.2L122 W124 L147 C160 L161 F163L122-I145 HydrophobicContact CD1-CG2 4.42Å; L122-I145 HydrophobicContact CG-CG2 4.21Å; W124-I145 HydrophobicContact CB-CG1 4.04Å; I145-L147 HydrophobicContact CG2-CD2 3.8Å; I145-L147 HydrophobicContact CG2-CG 4.25Å; I145-C160 CarbonylContact O-C 3.51Å; I145-C160 WeakPolarHBondContact O-CA 3.34Å; I145-L161 PolarHBondContact N-O 2.97Å; I145-L161 PolarHBondContact O-N 2.96Å; I145-F163 HydrophobicContact CB-CD2 4.38Å; I145-F163 HydrophobicContact CB-CE2 4.25Å; I145-F163 HydrophobicContact CD1-CD2 3.57Å; I145-F163 HydrophobicContact CD1-CE2 3.78Å; I145-F163 HydrophobicContact CG1-CD2 3.94Å; I145-F163 HydrophobicContact CG1-CE2 4.23Å
146E96.8Very high81.2Confident72 Ų7283.3 Ų83.334%0.33644%0.444SS..EExtended strand (participates in β ladder)trans-110.6123.4171.6-177.4-179.178.300108.7L122 S123 F158 L159L122-E146 WeakPolarHBondContact CA-O 3.34Å; S123-E146 PolarHBondContact N-O 3.41Å; S123-E146 PolarHBondContact O-N 2.9Å; E146-F158 HydrophobicContact CG-CB 4.39Å; E146-F158 HydrophobicContact CG-CD1 4.02Å; E146-L159 WeakPolarHBondContact CA-O 3.37Å
147L95.7Very high82.7Confident35 Ų3585.6 Ų85.618%0.18344%0.436CS..EExtended strand (participates in β ladder)trans-106.5123.3176-56.8178.2000108.9L119 L122 I145 L149 F158 L159 L161L119-L147 HydrophobicContact CD1-CB 3.76Å; L119-L147 HydrophobicContact CD1-CD2 3.84Å; L119-L147 HydrophobicContact CD1-CG 4.28Å; L122-L147 HydrophobicContact CB-CD2 4.33Å; L122-L147 HydrophobicContact CD1-CD2 3.69Å; L122-L147 HydrophobicContact CG-CD2 3.91Å; I145-L147 HydrophobicContact CG2-CD2 3.8Å; I145-L147 HydrophobicContact CG2-CG 4.25Å; L147-L149 HydrophobicContact CB-CD2 4.49Å; L147-F158 WeakPolarHBondContact O-CA 2.87Å; L147-L159 HydrophobicContact CB-CB 4.42Å; L147-L159 PolarHBondContact N-O 2.84Å; L147-L159 PolarHBondContact O-N 2.83Å; L147-L161 HydrophobicContact CD1-CD1 4.2Å
148E94.4Very high84.4Confident56 Ų5683.9 Ų83.926%0.26243%0.427SS..EExtended strand (participates in β ladder)trans-89.3114.4170.9-175.7-165.6163.600108.9R120 G121 S156 F158R120-E148 HydrophobicContact CB-CB 4.27Å; R120-E148 HydrophobicContact CB-CG 3.96Å; R120-E148 WeakPolarHBondContact CD-OE1 3.15Å; R120-E148 PolarHBondContact N-O 2.67Å; G121-E148 PolarHBondContact O-N 2.82Å; E148-S156 VanDerWaalsContact CG-CB 3.43Å; E148-S156 VanDerWaalsContact OE1-CB 3.27Å; E148-S156 WeakPolarHBondContact OE1-CB 3.27Å; E148-S156 PolarHBondContact OE1-OG 2.95Å; E148-F158 HydrophobicContact CB-CD1 4.21Å; E148-F158 HydrophobicContact CB-CE1 3.94Å; E148-F158 HydrophobicContact CG-CD1 4.38Å; E148-F158 HydrophobicContact CG-CE1 3.8Å; E148-F158 HydrophobicContact CG-CZ 4.06Å
149L91.3Very high86.2Confident67 Ų6782.6 Ų82.635%0.35142%0.42SS..EExtended strand (participates in β ladder)trans-112.2132.2-179.7-56.4176.4000108.8L119 L147 S156 E157 L159L119-L149 HydrophobicContact CB-CD2 4.44Å; L119-L149 HydrophobicContact CD1-CD2 3.89Å; L147-L149 HydrophobicContact CB-CD2 4.49Å; L149-S156 CarbonylContact O-C 3.56Å; L149-S156 WeakPolarHBondContact O-CA 3.19Å; L149-E157 PolarHBondContact N-O 3.25Å; L149-E157 PolarHBondContact O-N 3.19Å; L149-L159 HydrophobicContact CD1-CB 4.45Å
150G85.8Confident87.7Confident9 Ų977.9 Ų77.99%0.09341%0.407CS..EExtended strand (participates in β ladder)trans-174161.8179.900000115.8G118 R120G118-G150 PolarHBondContact N-O 3.45Å; G118-G150 PolarHBondContact O-N 2.79Å; G118-G150 VanDerWaalsContact O-N 3.13Å; R120-G150 VanDerWaalsContact NE-C 3.32Å; R120-G150 PolarHBondContact NE-O 3.43Å; R120-G150 VanDerWaalsContact NE-O 3.13Å
151K79.9Confident88.5Confident97 Ų9777.3 Ų77.342%0.42240%0.401SS..EExtended strand (participates in β ladder)trans-95.1142.7176.4-59-173.9-172.3163.10112.6N116 R120 G153 Q154N116-K151 HydrophobicContact CB-CB 4.36Å; N116-K151 HydrophobicContact CB-CD 4.01Å; N116-K151 HydrophobicContact CB-CG 3.97Å; N116-K151 VanDerWaalsContact O-CA 3.23Å; N116-K151 WeakPolarHBondContact O-CA 3.45Å; R120-K151 PolarHBondContact NH2-O 3.47Å; K151-G153 PolarHBondContact O-N 3.23Å; K151-Q154 HydrophobicContact CB-CB 4.27Å; K151-Q154 HydrophobicContact CB-CG 4.28Å; K151-Q154 PolarHBondContact O-N 2.85Å
152Y66.2Low88.9Confident216 Ų21678.7 Ų78.785%0.84740%0.401SS*.THydrogen-bonded Turntrans-50.8125.2178.8-165.4-94.1000111.1Q154Y152-Q154 VanDerWaalsContact C-N 3.33Å; Y152-Q154 PolarHBondContact O-N 2.79Å
153G69Low88.9Confident76 Ų7680 Ų8078%0.78441%0.406SS*.THydrogen-bonded Turntrans75.19-177.900000116.7K151K151-G153 PolarHBondContact O-N 3.23Å
154Q76Confident88.8Confident119 Ų11982.6 Ų82.656%0.55642%0.418SS*.SBendtrans-115.7161.3174.2-62.4-172.6-18.600111.2R120 K151 Y152R120-Q154 PolarHBondContact NH1-O 2.81Å; K151-Q154 HydrophobicContact CB-CB 4.27Å; K151-Q154 HydrophobicContact CB-CG 4.28Å; K151-Q154 PolarHBondContact O-N 2.85Å; Y152-Q154 VanDerWaalsContact C-N 3.33Å; Y152-Q154 PolarHBondContact O-N 2.79Å
155E84.1Confident88.6Confident190 Ų19087.2 Ų87.289%0.88844%0.439SS*.PPolyproline II helixtrans-60.9142.8170.3-70.9-173162.700110.4
156S90.7Very high88.6Confident27 Ų2790.2 Ų90.219%0.18946%0.459CS..PPolyproline II helixtrans-87.4148.8-179.8-62.50000111.3R120 E148 L149R120-S156 WeakPolarHBondContact CD-OG 3.4Å; R120-S156 PolarHBondContact NH1-OG 2.87Å; E148-S156 VanDerWaalsContact CG-CB 3.43Å; E148-S156 VanDerWaalsContact OE1-CB 3.27Å; E148-S156 WeakPolarHBondContact OE1-CB 3.27Å; E148-S156 PolarHBondContact OE1-OG 2.95Å; L149-S156 CarbonylContact O-C 3.56Å; L149-S156 WeakPolarHBondContact O-CA 3.19Å
157E92.3Very high88.4Confident155 Ų15591.3 Ų91.372%0.72446%0.462SS*.EExtended strand (participates in β ladder)trans-99.4145.5169.6-65.5175.5-129.800109.3L149L149-E157 PolarHBondContact N-O 3.25Å; L149-E157 PolarHBondContact O-N 3.19Å
158F94.3Very high88.3Confident124 Ų12491.7 Ų91.754%0.54447%0.466SS..EExtended strand (participates in β ladder)trans-117.3126.8-177.2-64-93.2000110.3E146 L147 E148E146-F158 HydrophobicContact CG-CB 4.39Å; E146-F158 HydrophobicContact CG-CD1 4.02Å; L147-F158 WeakPolarHBondContact O-CA 2.87Å; E148-F158 HydrophobicContact CB-CD1 4.21Å; E148-F158 HydrophobicContact CB-CE1 3.94Å; E148-F158 HydrophobicContact CG-CD1 4.38Å; E148-F158 HydrophobicContact CG-CE1 3.8Å; E148-F158 HydrophobicContact CG-CZ 4.06Å
159L94.4Very high88.3Confident77 Ų7793.1 Ų93.140%0.40348%0.475SS..EExtended strand (participates in β ladder)trans-113.6113177.1178.363.7000109.9E146 L147 L149 L161E146-L159 WeakPolarHBondContact CA-O 3.37Å; L147-L159 HydrophobicContact CB-CB 4.42Å; L147-L159 PolarHBondContact N-O 2.84Å; L147-L159 PolarHBondContact O-N 2.83Å; L149-L159 HydrophobicContact CD1-CB 4.45Å; L159-L161 HydrophobicContact CD1-CD2 4.08Å; L159-L161 HydrophobicContact CD2-CD1 4.08Å; L159-L161 HydrophobicContact CD2-CD2 4.28Å; L159-L161 HydrophobicContact CD2-CG 4.3Å; L159-L161 HydrophobicContact CG-CD1 4.29Å; L159-L161 HydrophobicContact CG-CD2 4.04Å; L159-L161 HydrophobicContact CG-CG 4Å
160C94.7Very high88.5Confident81 Ų8195.3 Ų95.355%0.54748%0.484SS..EExtended strand (participates in β ladder)trans-96.8125.3176.5-62.60000110.9I145I145-C160 CarbonylContact O-C 3.51Å; I145-C160 WeakPolarHBondContact O-CA 3.34Å
161L93.8Very high88.8Confident60 Ų6097.7 Ų97.731%0.31449%0.494SS..EExtended strand (participates in β ladder)trans-127.4148.2-177.7-59.6173.4000110I144 I145 L147 L159 F163I144-L161 WeakPolarHBondContact CA-O 3.45Å; I145-L161 PolarHBondContact N-O 2.97Å; I145-L161 PolarHBondContact O-N 2.96Å; L147-L161 HydrophobicContact CD1-CD1 4.2Å; L159-L161 HydrophobicContact CD1-CD2 4.08Å; L159-L161 HydrophobicContact CD2-CD1 4.08Å; L159-L161 HydrophobicContact CD2-CD2 4.28Å; L159-L161 HydrophobicContact CD2-CG 4.3Å; L159-L161 HydrophobicContact CG-CD1 4.29Å; L159-L161 HydrophobicContact CG-CD2 4.04Å; L159-L161 HydrophobicContact CG-CG 4Å; L161-F163 HydrophobicContact CB-CD2 4.18Å; L161-F163 HydrophobicContact CB-CE2 3.37Å; L161-F163 HydrophobicContact CB-CZ 3.72Å; L161-F163 HydrophobicContact CD1-CE2 3.99Å; L161-F163 HydrophobicContact CD1-CZ 3.76Å; L161-F163 HydrophobicContact CG-CE2 4.33Å; L161-F163 HydrophobicContact CG-CZ 4.33Å
162E93.5Very high89.5Confident100 Ų10097.6 Ų97.647%0.46750%0.497SS..EExtended strand (participates in β ladder)trans-117.1128.2178.6-170.3-169.6102.500110K129 V142 A143K129-E162 WeakPolarHBondContact CE-OE1 3.45Å; K129-E162 IonicContact NZ-OE1 3.13Å; K129-E162 PolarHBondContact NZ-OE1 3.34Å; V142-E162 HydrophobicContact CB-CG 4.44Å; V142-E162 HydrophobicContact CG1-CG 4.44Å; V142-E162 HydrophobicContact CG2-CG 3.2Å; A143-E162 CarbonylContact O-C 3.57Å; A143-E162 WeakPolarHBondContact O-CA 3.48Å
163F91.8Very high90.9Very high36 Ų3693.8 Ų93.816%0.15849%0.485CS..EExtended strand (participates in β ladder)trans-130140-176.8-61.1-75.9000111.9V142 A143 I145 L161 K167 V168 I171V142-F163 VanDerWaalsContact CG2-O 3.27Å; V142-F163 WeakPolarHBondContact CG2-O 3.48Å; A143-F163 HydrophobicContact CB-CB 4.45Å; A143-F163 PolarHBondContact N-O 2.81Å; A143-F163 PolarHBondContact O-N 2.86Å; I145-F163 HydrophobicContact CB-CD2 4.38Å; I145-F163 HydrophobicContact CB-CE2 4.25Å; I145-F163 HydrophobicContact CD1-CD2 3.57Å; I145-F163 HydrophobicContact CD1-CE2 3.78Å; I145-F163 HydrophobicContact CG1-CD2 3.94Å; I145-F163 HydrophobicContact CG1-CE2 4.23Å; L161-F163 HydrophobicContact CB-CD2 4.18Å; L161-F163 HydrophobicContact CB-CE2 3.37Å; L161-F163 HydrophobicContact CB-CZ 3.72Å; L161-F163 HydrophobicContact CD1-CE2 3.99Å; L161-F163 HydrophobicContact CD1-CZ 3.76Å; L161-F163 HydrophobicContact CG-CE2 4.33Å; L161-F163 HydrophobicContact CG-CZ 4.33Å; F163-K167 HydrophobicContact CB-CB 4.13Å; F163-K167 HydrophobicContact CD1-CB 3.66Å; F163-K167 HydrophobicContact CD1-CD 3.87Å; F163-K167 HydrophobicContact CD1-CG 4.4Å; F163-K167 HydrophobicContact CG-CB 4.35Å; F163-V168 HydrophobicContact CB-CG2 3.71Å; F163-I171 HydrophobicContact CD1-CD1 3.97Å; F163-I171 HydrophobicContact CD2-CD1 4.44Å; F163-I171 HydrophobicContact CE1-CD1 3.62Å; F163-I171 HydrophobicContact CE2-CD1 4.11Å; F163-I171 HydrophobicContact CG-CD1 4.35Å; F163-I171 HydrophobicContact CZ-CD1 3.68Å
164D91.7Very high92.1Very high64 Ų6496.1 Ų96.134%0.34248%0.477SS..  trans-83.2171.2163.45745.2000110.4V166 K167 V168D164-V166 PolarHBondContact O-N 3.14Å; D164-V166 WeakPolarHBondContact OD1-CB 3.31Å; D164-V166 PolarHBondContact OD1-N 3.23Å; D164-V166 VanDerWaalsContact OD1-N 3.14Å; D164-K167 PolarHBondContact O-N 3.28Å; D164-K167 WeakPolarHBondContact OD1-CG 3.35Å; D164-K167 PolarHBondContact OD1-N 3Å; D164-V168 WeakPolarHBondContact O-CG2 3.41Å; D164-V168 PolarHBondContact O-N 2.86Å
165E90.6Very high93Very high143 Ų14395.4 Ų95.467%0.66848%0.477SS*.Hα-helixtrans-54.3-38.1179.2-178.7-179.6172.600112.9V168 N169E165-V168 PolarHBondContact O-N 3.2Å; E165-N169 WeakPolarHBondContact O-CB 3.43Å; E165-N169 PolarHBondContact O-N 3.22Å; E165-N169 PolarHBondContact O-ND2 3.02Å
166V93.6Very high93.5Very high91 Ų9189.6 Ų89.655%0.55246%0.457SS*.Hα-helixtrans-65.7-47-178.4179.30000110.2D164 N169 Q170D164-V166 PolarHBondContact O-N 3.14Å; D164-V166 WeakPolarHBondContact OD1-CB 3.31Å; D164-V166 PolarHBondContact OD1-N 3.23Å; D164-V166 VanDerWaalsContact OD1-N 3.14Å; V166-N169 PolarHBondContact O-N 3.03Å; V166-Q170 WeakPolarHBondContact O-CG 3.47Å; V166-Q170 PolarHBondContact O-N 3.47Å
167K93.3Very high93.8Very high95 Ų9593 Ų9341%0.41347%0.47SS..Hα-helixtrans-66.6-38.6178.8-67.1175.4-169.6174.60112.4F163 D164 Q170 I171F163-K167 HydrophobicContact CB-CB 4.13Å; F163-K167 HydrophobicContact CD1-CB 3.66Å; F163-K167 HydrophobicContact CD1-CD 3.87Å; F163-K167 HydrophobicContact CD1-CG 4.4Å; F163-K167 HydrophobicContact CG-CB 4.35Å; D164-K167 PolarHBondContact O-N 3.28Å; D164-K167 WeakPolarHBondContact OD1-CG 3.35Å; D164-K167 PolarHBondContact OD1-N 3Å; K167-Q170 PolarHBondContact O-N 3.03Å; K167-I171 WeakPolarHBondContact O-CG1 3.37Å; K167-I171 PolarHBondContact O-N 3.37Å
168V92.9Very high93.8Very high42 Ų4289.5 Ų89.526%0.25546%0.459SS..Hα-helixtrans-60-47.7175.1173.40000110.4A143 F163 D164 E165 Q170 I171 L172A143-V168 HydrophobicContact CB-CG2 3.87Å; F163-V168 HydrophobicContact CB-CG2 3.71Å; D164-V168 WeakPolarHBondContact O-CG2 3.41Å; D164-V168 PolarHBondContact O-N 2.86Å; E165-V168 PolarHBondContact O-N 3.2Å; V168-Q170 VanDerWaalsContact C-N 3.3Å; V168-Q170 PolarHBondContact O-N 3.47Å; V168-I171 PolarHBondContact O-N 2.97Å; V168-L172 HydrophobicContact CG1-CD1 4.15Å; V168-L172 HydrophobicContact CG1-CG 4.47Å; V168-L172 WeakPolarHBondContact O-CG 3.49Å; V168-L172 PolarHBondContact O-N 2.9Å
169N94.3Very high93.7Very high87 Ų8789.7 Ų89.747%0.46546%0.461SS..Hα-helixtrans-62-36.9177.9-78.5-54.4000112.9E165 V166 L172 K173E165-N169 WeakPolarHBondContact O-CB 3.43Å; E165-N169 PolarHBondContact O-N 3.22Å; E165-N169 PolarHBondContact O-ND2 3.02Å; V166-N169 PolarHBondContact O-N 3.03Å; N169-L172 PolarHBondContact O-N 3.04Å; N169-K173 WeakPolarHBondContact O-CB 3.39Å; N169-K173 PolarHBondContact O-N 3.37Å
170Q95.2Very high93.7Very high113 Ų11392.5 Ų92.553%0.52847%0.472SS..Hα-helixtrans-63.7-44.4174.5-73.7172.6-9.100112V166 K167 V168 K173 M174V166-Q170 WeakPolarHBondContact O-CG 3.47Å; V166-Q170 PolarHBondContact O-N 3.47Å; K167-Q170 PolarHBondContact O-N 3.03Å; V168-Q170 VanDerWaalsContact C-N 3.3Å; V168-Q170 PolarHBondContact O-N 3.47Å; Q170-K173 PolarHBondContact O-N 3.26Å; Q170-M174 WeakPolarHBondContact O-CG 3.34Å; Q170-M174 PolarHBondContact O-N 2.97Å
171I92.8Very high93.6Very high59 Ų5992 Ų9230%0.30347%0.47SS..Hα-helixtrans-61.3-46.8176.8-68.8166.9000110.4F163 K167 V168 K173 M174 L175F163-I171 HydrophobicContact CD1-CD1 3.97Å; F163-I171 HydrophobicContact CD2-CD1 4.44Å; F163-I171 HydrophobicContact CE1-CD1 3.62Å; F163-I171 HydrophobicContact CE2-CD1 4.11Å; F163-I171 HydrophobicContact CG-CD1 4.35Å; F163-I171 HydrophobicContact CZ-CD1 3.68Å; K167-I171 WeakPolarHBondContact O-CG1 3.37Å; K167-I171 PolarHBondContact O-N 3.37Å; V168-I171 PolarHBondContact O-N 2.97Å; I171-K173 VanDerWaalsContact C-N 3.31Å; I171-K173 PolarHBondContact O-N 3.45Å; I171-M174 PolarHBondContact O-N 3.26Å; I171-L175 HydrophobicContact CG2-CD1 3.92Å; I171-L175 HydrophobicContact CG2-CG 4.31Å; I171-L175 WeakPolarHBondContact O-CG 3.45Å; I171-L175 PolarHBondContact O-N 3.48Å
172L94.5Very high93.4Very high94 Ų9493.4 Ų93.449%0.49248%0.477SS..Hα-helixtrans-58.2-44.4178.4-71174.3000111.6V168 N169 M174 L175 S176V168-L172 HydrophobicContact CG1-CD1 4.15Å; V168-L172 HydrophobicContact CG1-CG 4.47Å; V168-L172 WeakPolarHBondContact O-CG 3.49Å; V168-L172 PolarHBondContact O-N 2.9Å; N169-L172 PolarHBondContact O-N 3.04Å; L172-M174 PolarHBondContact O-N 2.91Å; L172-L175 PolarHBondContact O-N 3.2Å; L172-S176 PolarHBondContact O-N 3.03Å; L172-S176 PolarHBondContact O-OG 3.05Å
173K95.8Very high93.3Very high137 Ų13791.4 Ų91.460%0.59647%0.474SS*.Hα-helixtrans-60.1-46.6176.7-173.8-178.4176.5-169.20111.9N169 Q170 I171 L175 S176 E177N169-K173 WeakPolarHBondContact O-CB 3.39Å; N169-K173 PolarHBondContact O-N 3.37Å; Q170-K173 PolarHBondContact O-N 3.26Å; I171-K173 VanDerWaalsContact C-N 3.31Å; I171-K173 PolarHBondContact O-N 3.45Å; K173-L175 VanDerWaalsContact C-N 3.33Å; K173-L175 PolarHBondContact O-N 3.39Å; K173-S176 PolarHBondContact O-N 3.34Å; K173-E177 WeakPolarHBondContact CE-OE1 3.3Å; K173-E177 IonicContact NZ-OE1 3.98Å; K173-E177 WeakPolarHBondContact O-CG 3.49Å; K173-E177 PolarHBondContact O-N 3.18Å
174M94.8Very high93.3Very high124 Ų12493.2 Ų93.261%0.61149%0.488SS*.Hα-helixtrans-61.6-41.2177.3-71.9-178.966.400112Q170 I171 L172 S176 E177 V178Q170-M174 WeakPolarHBondContact O-CG 3.34Å; Q170-M174 PolarHBondContact O-N 2.97Å; I171-M174 PolarHBondContact O-N 3.26Å; L172-M174 PolarHBondContact O-N 2.91Å; M174-S176 VanDerWaalsContact C-N 3.33Å; M174-S176 PolarHBondContact O-N 3.44Å; M174-E177 PolarHBondContact O-N 3.36Å; M174-V178 VanDerWaalsContact O-CG2 3.3Å; M174-V178 WeakPolarHBondContact O-CG2 3.47Å; M174-V178 PolarHBondContact O-N 3.36Å
175L94.3Very high93Very high105 Ų10596.1 Ų96.155%0.5550%0.503SS..Hα-helixtrans-64-38.8177.2-71.1174000111.8I171 L172 K173 V178 E179I171-L175 HydrophobicContact CG2-CD1 3.92Å; I171-L175 HydrophobicContact CG2-CG 4.31Å; I171-L175 WeakPolarHBondContact O-CG 3.45Å; I171-L175 PolarHBondContact O-N 3.48Å; L172-L175 PolarHBondContact O-N 3.2Å; K173-L175 VanDerWaalsContact C-N 3.33Å; K173-L175 PolarHBondContact O-N 3.39Å; L175-V178 PolarHBondContact O-N 3.28Å; L175-E179 WeakPolarHBondContact O-CB 3.49Å; L175-E179 PolarHBondContact O-N 3.04Å
176S95.3Very high92.8Very high68 Ų6895.7 Ų95.748%0.47650%0.504SS..Hα-helixtrans-64.7-41.9174.8-62.30000112.9L172 K173 M174 V178 E179 E180L172-S176 PolarHBondContact O-N 3.03Å; L172-S176 PolarHBondContact O-OG 3.05Å; K173-S176 PolarHBondContact O-N 3.34Å; M174-S176 VanDerWaalsContact C-N 3.33Å; M174-S176 PolarHBondContact O-N 3.44Å; S176-V178 VanDerWaalsContact C-N 3.3Å; S176-V178 PolarHBondContact O-N 3.3Å; S176-E179 PolarHBondContact O-N 2.97Å; S176-E180 PolarHBondContact O-N 3.49Å
177E95.4Very high92Very high99 Ų9995.8 Ų95.846%0.46351%0.508SS..Hα-helixtrans-63.1-37.9175.7-70.2172-172.200111.7K173 M174 S181K173-E177 WeakPolarHBondContact CE-OE1 3.3Å; K173-E177 IonicContact NZ-OE1 3.98Å; K173-E177 WeakPolarHBondContact O-CG 3.49Å; K173-E177 PolarHBondContact O-N 3.18Å; M174-E177 PolarHBondContact O-N 3.36Å; E177-S181 WeakPolarHBondContact O-CB 3.2Å; E177-S181 PolarHBondContact O-N 2.89Å; E177-S181 VanDerWaalsContact O-N 3.12Å; E177-S181 PolarHBondContact O-OG 2.88Å
178V92.2Very high90.5Very high80 Ų8097.2 Ų97.249%0.48552%0.517SS..Hα-helixtrans-67-44.4174.5170.90000111.1M174 L175 S176 S181 I182M174-V178 VanDerWaalsContact O-CG2 3.3Å; M174-V178 WeakPolarHBondContact O-CG2 3.47Å; M174-V178 PolarHBondContact O-N 3.36Å; L175-V178 PolarHBondContact O-N 3.28Å; S176-V178 VanDerWaalsContact C-N 3.3Å; S176-V178 PolarHBondContact O-N 3.3Å; V178-S181 WeakPolarHBondContact O-CB 3.45Å; V178-S181 PolarHBondContact O-N 2.99Å; V178-I182 HydrophobicContact CG1-CD1 3.84Å; V178-I182 HydrophobicContact CG1-CG1 4.5Å; V178-I182 WeakPolarHBondContact O-CG1 3.42Å; V178-I182 PolarHBondContact O-N 3.21Å
179E92.9Very high88.6Confident129 Ų129101.1 Ų101.160%0.60354%0.543SS*.Hα-helixtrans-58.3-48.8176.7-177.7178.3-163.400111.2L175 S176 S181 I182 S183L175-E179 WeakPolarHBondContact O-CB 3.49Å; L175-E179 PolarHBondContact O-N 3.04Å; S176-E179 PolarHBondContact O-N 2.97Å; E179-S181 VanDerWaalsContact C-N 3.3Å; E179-S181 PolarHBondContact O-N 3.17Å; E179-I182 PolarHBondContact O-N 3.36Å; E179-S183 PolarHBondContact O-N 3.12Å; E179-S183 PolarHBondContact O-OG 3.2Å
180E93.6Very high86.4Confident136 Ų136108.5 Ų108.564%0.63658%0.582SS**Hα-helixtrans-59.8-41.2178.2-174.6176.9-169.400112.1S176 S183 T184S176-E180 PolarHBondContact O-N 3.49Å; E180-S183 PolarHBondContact O-N 2.81Å; E180-T184 WeakPolarHBondContact O-CB 3.48Å; E180-T184 PolarHBondContact O-N 2.93Å; E180-T184 PolarHBondContact O-OG1 3.43Å
181S92.9Very high86Confident71 Ų71108.3 Ų108.350%0.49759%0.585SS.*Hα-helixtrans-62.4-44.3176.4-60.80000111.7E177 V178 E179 T184 L185E177-S181 WeakPolarHBondContact O-CB 3.2Å; E177-S181 PolarHBondContact O-N 2.89Å; E177-S181 VanDerWaalsContact O-N 3.12Å; E177-S181 PolarHBondContact O-OG 2.88Å; V178-S181 WeakPolarHBondContact O-CB 3.45Å; V178-S181 PolarHBondContact O-N 2.99Å; E179-S181 VanDerWaalsContact C-N 3.3Å; E179-S181 PolarHBondContact O-N 3.17Å; S181-T184 PolarHBondContact O-N 3.13Å; S181-L185 WeakPolarHBondContact O-CG 3.34Å; S181-L185 PolarHBondContact O-N 3.43Å; S181-L185 VanDerWaalsContact O-N 3.13Å
182I89.9Confident85.6Confident89 Ų89110.8 Ų110.846%0.45660%0.6SS.*Hα-helixtrans-63.8-47.9177.4-69.6167.7000110.3V178 E179 T184 L185 I186V178-I182 HydrophobicContact CG1-CD1 3.84Å; V178-I182 HydrophobicContact CG1-CG1 4.5Å; V178-I182 WeakPolarHBondContact O-CG1 3.42Å; V178-I182 PolarHBondContact O-N 3.21Å; E179-I182 PolarHBondContact O-N 3.36Å; I182-T184 VanDerWaalsContact C-N 3.29Å; I182-T184 PolarHBondContact O-N 3.37Å; I182-L185 PolarHBondContact O-N 2.98Å; I182-I186 HydrophobicContact CG2-CD1 3.56Å; I182-I186 HydrophobicContact CG2-CG1 4.33Å; I182-I186 WeakPolarHBondContact O-CG1 3.29Å; I182-I186 PolarHBondContact O-N 2.84Å
183S91.3Very high85.1Confident58 Ų58111.8 Ų111.841%0.40661%0.606SS.*Hα-helixtrans-59.3-40.9178.5-670000112E179 E180 I186 S187E179-S183 PolarHBondContact O-N 3.12Å; E179-S183 PolarHBondContact O-OG 3.2Å; E180-S183 PolarHBondContact O-N 2.81Å; S183-I186 PolarHBondContact O-N 3.4Å; S183-S187 VanDerWaalsContact O-CB 3.29Å; S183-S187 WeakPolarHBondContact O-CB 3.39Å; S183-S187 PolarHBondContact O-N 2.64Å; S183-S187 PolarHBondContact O-OG 3Å
184T91.5Very high84.5Confident74 Ų74110.3 Ų110.345%0.45461%0.606SS.*Hα-helixtrans-61.1-45.7176.6-59.30000111.4E180 S181 I182 S187 Q188E180-T184 WeakPolarHBondContact O-CB 3.48Å; E180-T184 PolarHBondContact O-N 2.93Å; E180-T184 PolarHBondContact O-OG1 3.43Å; S181-T184 PolarHBondContact O-N 3.13Å; I182-T184 VanDerWaalsContact C-N 3.29Å; I182-T184 PolarHBondContact O-N 3.37Å; T184-S187 PolarHBondContact O-N 3.35Å; T184-Q188 WeakPolarHBondContact O-CG 3.49Å; T184-Q188 PolarHBondContact O-N 3.39Å
185L86.7Confident83.9Confident124 Ų124109.4 Ų109.465%0.64961%0.606SS**Hα-helixtrans-65.3-40.5178.9-71.2169.7000112.6S181 I182 S187S181-L185 WeakPolarHBondContact O-CG 3.34Å; S181-L185 PolarHBondContact O-N 3.43Å; S181-L185 VanDerWaalsContact O-N 3.13Å; I182-L185 PolarHBondContact O-N 2.98Å; L185-S187 VanDerWaalsContact C-N 3.3Å; L185-S187 PolarHBondContact O-N 3.48Å
186I85.4Confident83.2Confident134 Ų134109.7 Ų109.769%0.68761%0.61SS**Hα-helixtrans-70.1-29.4179-66171.1000111.6I182 S183I182-I186 HydrophobicContact CG2-CD1 3.56Å; I182-I186 HydrophobicContact CG2-CG1 4.33Å; I182-I186 WeakPolarHBondContact O-CG1 3.29Å; I182-I186 PolarHBondContact O-N 2.84Å; S183-I186 PolarHBondContact O-N 3.4Å
187S77.8Confident82.3Confident93 Ų93112.7 Ų112.765%0.6562%0.619SS**Hα-helixtrans-84.3-7.8-176.9-52.80000113.9S183 T184 L185 P189S183-S187 VanDerWaalsContact O-CB 3.29Å; S183-S187 WeakPolarHBondContact O-CB 3.39Å; S183-S187 PolarHBondContact O-N 2.64Å; S183-S187 PolarHBondContact O-OG 3Å; T184-S187 PolarHBondContact O-N 3.35Å; L185-S187 VanDerWaalsContact C-N 3.3Å; L185-S187 PolarHBondContact O-N 3.48Å; S187-P189 WeakPolarHBondContact O-CD 3.49Å
188Q61.3Low81.3Confident126 Ų126113.8 Ų113.859%0.58963%0.631SS**SBendtrans-76.3122.9175.6-75-177.54.400110.1T184T184-Q188 WeakPolarHBondContact O-CG 3.49Å; T184-Q188 PolarHBondContact O-N 3.39Å
189P52.3Low80.4Confident124 Ų124116.6 Ų116.681%0.80564%0.643SS**  trans-66.6135.817028.2-31.2000109.2S187S187-P189 WeakPolarHBondContact O-CD 3.49Å
190N48.9Very low79.2Confident241 Ų241115.5 Ų115.5100%1.28965%0.647SS**  trans-54.50175.3-74.4-37.4000112.8

Retrieved 190 of 190 residues in 69.9 ms (Link to these results)

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