A0A3Q0KM81_SCHMA Loading...

Calmodulin

AlphaFold DB , UniProt , Accession A0A3Q0KM81, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 164 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
1M33.1Very low49Very low220 Ų220106.8 Ų106.8100%1.08456%0.559SS**  093.10-68177.1179.200106.1
2L41Very low51Low106 Ų106105.2 Ų105.256%0.55555%0.551SS**  trans-144.635.1-176.2-76.7178.2000111.8
3N40.2Very low52.9Low131 Ų131101.7 Ų101.770%0.70153%0.533SS*.SBendtrans-114.23-173.1-66.33000114.1
4G38.5Very low54.6Low44 Ų4494.9 Ų94.945%0.45450%0.498SS..SBendtrans-151.5-27.7-17700000115.5I6G4-I6 VanDerWaalsContact C-N 3.34Å; G4-I6 PolarHBondContact O-N 3.49Å
5D45.8Very low56.3Low119 Ų11997.8 Ų97.864%0.63650%0.499SS*.G310 helixtrans-79.5-14.9-172.5-55.9-44.2000113.8L7 H8 M9D5-L7 PolarHBondContact O-N 3.28Å; D5-H8 PolarHBondContact O-N 3.45Å; D5-M9 PolarHBondContact O-N 3.47Å
6I51.1Low57.9Low28 Ų2898.5 Ų98.514%0.14450%0.5CS..G310 helixtrans-66.3-25.8-179-57.7174.1000111.9G4 H8 M9 M74G4-I6 VanDerWaalsContact C-N 3.34Å; G4-I6 PolarHBondContact O-N 3.49Å; I6-H8 VanDerWaalsContact C-N 3.27Å; I6-H8 PolarHBondContact O-N 3.48Å; I6-M9 HydrophobicContact CG1-SD 4.46Å; I6-M9 HydrophobicContact CG2-SD 4.4Å; I6-M9 VanDerWaalsContact O-CB 3.25Å; I6-M9 WeakPolarHBondContact O-CB 3.36Å; I6-M9 PolarHBondContact O-N 3.19Å; I6-M74 HydrophobicContact CD1-CE 4.02Å; I6-M74 HydrophobicContact CG1-CE 4.32Å; I6-M74 HydrophobicContact CG2-CE 3.74Å
7L44.8Very low59.2Low78 Ų7893.4 Ų93.441%0.40848%0.476SS..G310 helixtrans-69.3-24.7178.1-77170.6000113.5D5 S78 R82D5-L7 PolarHBondContact O-N 3.28Å; L7-S78 WeakPolarHBondContact CD2-OG 3.19Å; L7-S78 WeakPolarHBondContact CG-OG 3.38Å; L7-S78 PolarHBondContact N-OG 2.97Å; L7-R82 HydrophobicContact CD1-CG 3.88Å
8H52.5Low60.7Low164 Ų16488.8 Ų88.876%0.75945%0.452SS*.G310 helixtrans-102.34.8177.9-72.2-67.8000112.6D5 I6 E10D5-H8 PolarHBondContact O-N 3.45Å; I6-H8 VanDerWaalsContact C-N 3.27Å; I6-H8 PolarHBondContact O-N 3.48Å; H8-E10 PolarHBondContact O-N 3.28Å; H8-E10 VanDerWaalsContact O-N 3.07Å
9M57.2Low61.9Low56 Ų5688.7 Ų88.728%0.27645%0.452SS..  trans-66110-179.6-146.1159.7-157.700107.8D5 I6 D13 L14 A17 M74D5-M9 PolarHBondContact O-N 3.47Å; I6-M9 HydrophobicContact CG1-SD 4.46Å; I6-M9 HydrophobicContact CG2-SD 4.4Å; I6-M9 VanDerWaalsContact O-CB 3.25Å; I6-M9 WeakPolarHBondContact O-CB 3.36Å; I6-M9 PolarHBondContact O-N 3.19Å; M9-D13 HydrophobicContact CB-CB 4.2Å; M9-D13 HydrophobicContact CE-CB 3.89Å; M9-D13 HydrophobicContact CG-CB 3.15Å; M9-D13 HydrophobicContact SD-CB 4.35Å; M9-L14 HydrophobicContact CB-CD2 4.27Å; M9-L14 HydrophobicContact CB-CG 4.18Å; M9-L14 HydrophobicContact CG-CD2 4Å; M9-L14 HydrophobicContact CG-CG 4.01Å; M9-L14 HydrophobicContact SD-CD2 3.73Å; M9-L14 HydrophobicContact SD-CG 4.37Å; M9-A17 HydrophobicContact CE-CB 4.41Å; M9-M74 HydrophobicContact SD-CE 4.3Å
10E65.1Low63Low140 Ų14090.6 Ų90.665%0.65446%0.462SS*.  trans-64.8159175.7-67.1-171.9175.300108.8H8 N12 D13 L14H8-E10 PolarHBondContact O-N 3.28Å; H8-E10 VanDerWaalsContact O-N 3.07Å; E10-N12 PolarHBondContact O-N 3.36Å; E10-D13 PolarHBondContact N-OD2 3.16Å; E10-D13 PolarHBondContact O-N 3.17Å; E10-L14 PolarHBondContact O-N 3.31Å; E10-L14 VanDerWaalsContact O-N 3.12Å
11D69.5Low64Low89 Ų8987.8 Ų87.848%0.47645%0.447SS..Hα-helixtrans-53-24.2175.4-74.8-13.2000111.4R15 R75D11-R15 VanDerWaalsContact O-CG 3.28Å; D11-R15 WeakPolarHBondContact O-CG 3.24Å; D11-R15 PolarHBondContact O-N 3.47Å; D11-R15 VanDerWaalsContact O-N 3.11Å; D11-R75 IonicContact OD1-NH2 3.19Å; D11-R75 PolarHBondContact OD1-NH2 3.05Å
12N73.1Confident66.6Low87 Ų8777.7 Ų77.747%0.46540%0.398SS..Hα-helixtrans-67.9-47.1172-169.665.5000113.5E10 L14 R15 E16E10-N12 PolarHBondContact O-N 3.36Å; N12-L14 VanDerWaalsContact C-N 3.27Å; N12-L14 PolarHBondContact O-N 2.78Å; N12-R15 WeakPolarHBondContact O-CB 3.3Å; N12-R15 PolarHBondContact O-N 3.07Å; N12-R15 VanDerWaalsContact O-N 3.12Å; N12-E16 PolarHBondContact ND2-OE1 2.78Å; N12-E16 PolarHBondContact O-N 2.97Å
13D75.9Confident68.6Low60 Ų6077 Ų7732%0.32140%0.398SS..Hα-helixtrans-65.7-34.8179.2-63.8-27.7000111.2M9 E10 E16 A17M9-D13 HydrophobicContact CB-CB 4.2Å; M9-D13 HydrophobicContact CE-CB 3.89Å; M9-D13 HydrophobicContact CG-CB 3.15Å; M9-D13 HydrophobicContact SD-CB 4.35Å; E10-D13 PolarHBondContact N-OD2 3.16Å; E10-D13 PolarHBondContact O-N 3.17Å; D13-E16 PolarHBondContact O-N 2.8Å; D13-A17 PolarHBondContact O-N 3.12Å
14L76.2Confident70.8Confident7 Ų775 Ų754%0.03739%0.387CS..Hα-helixtrans-69-33.3173.7-68171.4000112.2M9 E10 N12 A17 F18 L71 M74M9-L14 HydrophobicContact CB-CD2 4.27Å; M9-L14 HydrophobicContact CB-CG 4.18Å; M9-L14 HydrophobicContact CG-CD2 4Å; M9-L14 HydrophobicContact CG-CG 4.01Å; M9-L14 HydrophobicContact SD-CD2 3.73Å; M9-L14 HydrophobicContact SD-CG 4.37Å; E10-L14 PolarHBondContact O-N 3.31Å; E10-L14 VanDerWaalsContact O-N 3.12Å; N12-L14 VanDerWaalsContact C-N 3.27Å; N12-L14 PolarHBondContact O-N 2.78Å; L14-A17 PolarHBondContact O-N 3.12Å; L14-F18 WeakPolarHBondContact O-CB 3.47Å; L14-F18 PolarHBondContact O-N 3.03Å; L14-L71 HydrophobicContact CB-CD2 3.46Å; L14-L71 VanDerWaalsContact CB-CD2 3.46Å; L14-L71 HydrophobicContact CD1-CD2 3.33Å; L14-L71 HydrophobicContact CG-CD2 3.96Å; L14-M74 HydrophobicContact CD2-CB 3.91Å; L14-M74 HydrophobicContact CD2-CE 3.9Å; L14-M74 HydrophobicContact CD2-CG 4.09Å
15R79.8Confident73Confident138 Ų13882 Ų8252%0.52140%0.399SS..Hα-helixtrans-64.6-43.1169.9-76.2172.6-172.2-87.4-2.2111.5D11 N12 A17 F18 I19 F67D11-R15 VanDerWaalsContact O-CG 3.28Å; D11-R15 WeakPolarHBondContact O-CG 3.24Å; D11-R15 PolarHBondContact O-N 3.47Å; D11-R15 VanDerWaalsContact O-N 3.11Å; N12-R15 WeakPolarHBondContact O-CB 3.3Å; N12-R15 PolarHBondContact O-N 3.07Å; N12-R15 VanDerWaalsContact O-N 3.12Å; R15-A17 VanDerWaalsContact C-N 3.34Å; R15-F18 PolarHBondContact O-N 3.03Å; R15-I19 VanDerWaalsContact O-CG1 3.28Å; R15-I19 WeakPolarHBondContact O-CG1 3.44Å; R15-I19 PolarHBondContact O-N 3.17Å; R15-F67 HydrophobicContact CB-CE2 4.21Å; R15-F67 HydrophobicContact CB-CZ 4.31Å; R15-F67 HydrophobicContact CG-CE1 4.01Å; R15-F67 HydrophobicContact CG-CE2 3.56Å; R15-F67 HydrophobicContact CG-CZ 3.24Å
16E81.7Confident75.1Confident109 Ų10980.4 Ų80.451%0.50939%0.391SS..Hα-helixtrans-62.6-43.8176.5-70.5-175.9-168.400111.1N12 D13 F18 I19 L20N12-E16 PolarHBondContact ND2-OE1 2.78Å; N12-E16 PolarHBondContact O-N 2.97Å; D13-E16 PolarHBondContact O-N 2.8Å; E16-F18 PolarHBondContact O-N 2.9Å; E16-I19 PolarHBondContact O-N 2.89Å; E16-L20 WeakPolarHBondContact O-CG 3.38Å; E16-L20 PolarHBondContact O-N 3.09Å
17A81.3Confident76.9Confident12 Ų1280.6 Ų80.610%0.09940%0.4CS..Hα-helixtrans-58.3-47.8172.700000111.2M9 D13 L14 R15 I19 L20 F21 F70M9-A17 HydrophobicContact CE-CB 4.41Å; D13-A17 PolarHBondContact O-N 3.12Å; L14-A17 PolarHBondContact O-N 3.12Å; R15-A17 VanDerWaalsContact C-N 3.34Å; A17-I19 VanDerWaalsContact C-N 3.35Å; A17-I19 PolarHBondContact O-N 3.29Å; A17-L20 WeakPolarHBondContact O-CB 3.36Å; A17-L20 PolarHBondContact O-N 3.24Å; A17-F21 WeakPolarHBondContact O-CD2 3.48Å; A17-F21 PolarHBondContact O-N 3.22Å; A17-F21 VanDerWaalsContact O-N 3.13Å; A17-F70 HydrophobicContact CB-CE1 4.15Å; A17-F70 HydrophobicContact CB-CZ 4.14Å
18F84.8Confident79.1Confident10 Ų1081.9 Ų81.94%0.04440%0.4CS..Hα-helixtrans-58.4-44.6178-173.5-92.9000112.4L14 R15 E16 L20 F21 D22 G27 I29 F67 F70L14-F18 WeakPolarHBondContact O-CB 3.47Å; L14-F18 PolarHBondContact O-N 3.03Å; R15-F18 PolarHBondContact O-N 3.03Å; E16-F18 PolarHBondContact O-N 2.9Å; F18-L20 PolarHBondContact O-N 3.1Å; F18-F21 CarbonylContact O-C 3.59Å; F18-F21 PolarHBondContact O-N 3.42Å; F18-D22 HydrophobicContact CD1-CB 4.16Å; F18-D22 HydrophobicContact CE1-CB 3.83Å; F18-D22 HydrophobicContact CZ-CB 4.37Å; F18-D22 WeakPolarHBondContact O-CB 3.49Å; F18-D22 PolarHBondContact O-N 3.48Å; F18-G27 VanDerWaalsContact CZ-O 3.31Å; F18-G27 WeakPolarHBondContact CZ-O 3.36Å; F18-I29 HydrophobicContact CD2-CD1 3.43Å; F18-I29 VanDerWaalsContact CD2-CD1 3.43Å; F18-I29 HydrophobicContact CD2-CG1 4.08Å; F18-I29 HydrophobicContact CE2-CD1 3.37Å; F18-I29 HydrophobicContact CE2-CG1 3.6Å; F18-I29 HydrophobicContact CG-CD1 4.35Å; F18-I29 HydrophobicContact CZ-CD1 4.24Å; F18-I29 HydrophobicContact CZ-CG1 3.99Å; F18-F67 HydrophobicContact CB-CD2 3.67Å; F18-F67 HydrophobicContact CB-CE2 4Å; F18-F67 HydrophobicContact CD1-CB 4.39Å; F18-F67 HydrophobicContact CD1-CD2 4.04Å; F18-F67 HydrophobicContact CD2-CB 4.23Å; F18-F67 AromaticContact CD2-CD2 3.84Å; F18-F67 HydrophobicContact CD2-CD2 3.84Å; F18-F67 HydrophobicContact CE1-CB 4.26Å; F18-F67 VanDerWaalsContact CE2-CA 3.47Å; F18-F67 HydrophobicContact CE2-CB 4.08Å; F18-F67 HydrophobicContact CG-CB 4.39Å; F18-F67 AromaticContact CG-CD2 3.57Å; F18-F67 HydrophobicContact CG-CD2 3.57Å; F18-F67 HydrophobicContact CG-CE2 4.39Å; F18-F67 HydrophobicContact CG-CG 4.45Å; F18-F67 HydrophobicContact CZ-CB 4.11Å; F18-F70 HydrophobicContact CB-CD1 4.18Å; F18-F70 HydrophobicContact CB-CE1 4.31Å; F18-F70 HydrophobicContact CD2-CB 3.71Å; F18-F70 AromaticContact CD2-CD1 3.97Å; F18-F70 HydrophobicContact CD2-CD1 3.97Å; F18-F70 HydrophobicContact CD2-CD2 4.32Å; F18-F70 AromaticContact CD2-CG 3.75Å; F18-F70 HydrophobicContact CD2-CG 3.75Å; F18-F70 HydrophobicContact CE2-CB 4.04Å; F18-F70 HydrophobicContact CE2-CG 4.47Å
19I84.7Confident80.9Confident87 Ų8774.2 Ų74.245%0.44636%0.364SS..Hα-helixtrans-63.6-28.3176.9-68164.1000112R15 E16 A17R15-I19 VanDerWaalsContact O-CG1 3.28Å; R15-I19 WeakPolarHBondContact O-CG1 3.44Å; R15-I19 PolarHBondContact O-N 3.17Å; E16-I19 PolarHBondContact O-N 2.89Å; A17-I19 VanDerWaalsContact C-N 3.35Å; A17-I19 PolarHBondContact O-N 3.29Å
20L83.8Confident82.5Confident126 Ų12673.5 Ų73.566%0.6636%0.363SS*.Hα-helixtrans-70.2-37.1172.9-69.2169.8000111.6E16 A17 F18 V37E16-L20 WeakPolarHBondContact O-CG 3.38Å; E16-L20 PolarHBondContact O-N 3.09Å; A17-L20 WeakPolarHBondContact O-CB 3.36Å; A17-L20 PolarHBondContact O-N 3.24Å; F18-L20 PolarHBondContact O-N 3.1Å; L20-V37 WeakPolarHBondContact O-CG2 3.16Å
21F84Confident83.6Confident32 Ų3270.2 Ų70.214%0.1435%0.348CS..Hα-helixtrans-76.5-42.7177.2-72.7-78.6000112.6A17 F18 V23 I29 E33 L34 V37 F70A17-F21 WeakPolarHBondContact O-CD2 3.48Å; A17-F21 PolarHBondContact O-N 3.22Å; A17-F21 VanDerWaalsContact O-N 3.13Å; F18-F21 CarbonylContact O-C 3.59Å; F18-F21 PolarHBondContact O-N 3.42Å; F21-V23 VanDerWaalsContact C-N 3.35Å; F21-V23 PolarHBondContact O-N 2.94Å; F21-I29 HydrophobicContact CB-CD1 3.44Å; F21-I29 VanDerWaalsContact CB-CD1 3.44Å; F21-I29 HydrophobicContact CB-CG1 3.78Å; F21-I29 HydrophobicContact CB-CG2 4.27Å; F21-I29 HydrophobicContact CG-CD1 4.19Å; F21-E33 WeakPolarHBondContact O-CB 3.34Å; F21-L34 HydrophobicContact CD1-CD1 3.72Å; F21-L34 HydrophobicContact CE1-CD1 3.62Å; F21-V37 HydrophobicContact CD1-CB 3.55Å; F21-V37 HydrophobicContact CD1-CG1 3.46Å; F21-V37 VanDerWaalsContact CD1-CG1 3.46Å; F21-V37 HydrophobicContact CD1-CG2 3.93Å; F21-V37 HydrophobicContact CE1-CB 3.75Å; F21-V37 HydrophobicContact CE1-CG1 3.34Å; F21-V37 HydrophobicContact CG-CB 4.47Å; F21-V37 HydrophobicContact CG-CG1 4.18Å; F21-V37 HydrophobicContact CG-CG2 4.49Å; F21-V37 HydrophobicContact CZ-CG1 3.96Å; F21-F70 AromaticContact CD2-CE2 3.78Å; F21-F70 HydrophobicContact CD2-CE2 3.78Å; F21-F70 AromaticContact CD2-CZ 3.85Å; F21-F70 HydrophobicContact CD2-CZ 3.85Å; F21-F70 AromaticContact CE2-CE2 3.99Å; F21-F70 HydrophobicContact CE2-CE2 3.99Å; F21-F70 AromaticContact CE2-CZ 3.92Å; F21-F70 HydrophobicContact CE2-CZ 3.92Å
22D87.4Confident84.5Confident8 Ų870.8 Ų70.84%0.04335%0.354CS..  trans-77.580177.5179.56.9000110.7F18 N24 R25 D26 G27 I29F18-D22 HydrophobicContact CD1-CB 4.16Å; F18-D22 HydrophobicContact CE1-CB 3.83Å; F18-D22 HydrophobicContact CZ-CB 4.37Å; F18-D22 WeakPolarHBondContact O-CB 3.49Å; F18-D22 PolarHBondContact O-N 3.48Å; D22-N24 VanDerWaalsContact C-N 3.3Å; D22-N24 PolarHBondContact O-N 3.32Å; D22-N24 PolarHBondContact OD1-OD1 3.32Å; D22-R25 VanDerWaalsContact CG-CA 3.46Å; D22-R25 PolarHBondContact O-N 3.05Å; D22-R25 WeakPolarHBondContact OD1-CA 3.46Å; D22-R25 PolarHBondContact OD1-N 3.11Å; D22-R25 VanDerWaalsContact OD2-CA 3.28Å; D22-R25 WeakPolarHBondContact OD2-CA 3.23Å; D22-D26 PolarHBondContact OD1-N 2.94Å; D22-D26 PolarHBondContact OD2-N 3.19Å; D22-G27 VanDerWaalsContact OD2-CA 3.27Å; D22-G27 WeakPolarHBondContact OD2-CA 3.42Å; D22-G27 PolarHBondContact OD2-N 2.94Å; D22-I29 HydrophobicContact CB-CG1 4.42Å
23V82.6Confident85.3Confident93 Ų9367.4 Ų67.456%0.56434%0.336SS*.SBendtrans-63.4-37.6-176.2179.20000111.5F21 E33 V37F21-V23 VanDerWaalsContact C-N 3.35Å; F21-V23 PolarHBondContact O-N 2.94Å; V23-E33 HydrophobicContact CB-CG 4.31Å; V23-E33 HydrophobicContact CG2-CG 4.34Å; V23-V37 HydrophobicContact CG2-CG2 4.37Å
24N87.7Confident85.8Confident87 Ų8765.1 Ų65.147%0.46532%0.323SS..SBendtrans-87.1-14.4-175.778.333.4000113D22 D26 E33D22-N24 VanDerWaalsContact C-N 3.3Å; D22-N24 PolarHBondContact O-N 3.32Å; D22-N24 PolarHBondContact OD1-OD1 3.32Å; N24-D26 PolarHBondContact ND2-OD2 2.96Å; N24-D26 WeakPolarHBondContact OD1-CA 3.44Å; N24-D26 WeakPolarHBondContact OD1-CB 3.28Å; N24-D26 PolarHBondContact OD1-N 2.96Å; N24-D26 PolarHBondContact OD1-OD1 3.21Å; N24-D26 PolarHBondContact OD1-OD2 2.68Å; N24-E33 PolarHBondContact N-OE1 2.84Å; N24-E33 PolarHBondContact ND2-OE1 3.37Å
25R84.4Confident86.3Confident191 Ų19167.9 Ų67.972%0.72134%0.336SS*.  trans64.732.6-179.1-56.7-174.7175.9-159.8-2.6114.7D22 G27D22-R25 VanDerWaalsContact CG-CA 3.46Å; D22-R25 PolarHBondContact O-N 3.05Å; D22-R25 WeakPolarHBondContact OD1-CA 3.46Å; D22-R25 PolarHBondContact OD1-N 3.11Å; D22-R25 VanDerWaalsContact OD2-CA 3.28Å; D22-R25 WeakPolarHBondContact OD2-CA 3.23Å; R25-G27 VanDerWaalsContact C-N 3.27Å
26D90.3Very high86.6Confident87 Ų8764.8 Ų64.847%0.46534%0.336SS..SBendtrans-83.5-5.3175.670.614.7000113D22 N24 R28D22-D26 PolarHBondContact OD1-N 2.94Å; D22-D26 PolarHBondContact OD2-N 3.19Å; N24-D26 PolarHBondContact ND2-OD2 2.96Å; N24-D26 WeakPolarHBondContact OD1-CA 3.44Å; N24-D26 WeakPolarHBondContact OD1-CB 3.28Å; N24-D26 PolarHBondContact OD1-N 2.96Å; N24-D26 PolarHBondContact OD1-OD1 3.21Å; N24-D26 PolarHBondContact OD1-OD2 2.68Å; D26-R28 WeakPolarHBondContact OD1-CA 3.29Å; D26-R28 WeakPolarHBondContact OD1-CB 3.45Å; D26-R28 PolarHBondContact OD1-N 3.4Å
27G88.1Confident86.7Confident32 Ų3260.4 Ų60.433%0.3332%0.316SS..SBendtrans88.711.2179.700000113.9F18 D22 R25F18-G27 VanDerWaalsContact CZ-O 3.31Å; F18-G27 WeakPolarHBondContact CZ-O 3.36Å; D22-G27 VanDerWaalsContact OD2-CA 3.27Å; D22-G27 WeakPolarHBondContact OD2-CA 3.42Å; D22-G27 PolarHBondContact OD2-N 2.94Å; R25-G27 VanDerWaalsContact C-N 3.27Å
28R90.9Very high86.7Confident105 Ų10560.8 Ų60.840%0.39632%0.316SS..EExtended strand (participates in β ladder)trans-136.2148.3-178.5-52.6-176.1178.5-114.4-6.8110.1D26 N62 E66D26-R28 WeakPolarHBondContact OD1-CA 3.29Å; D26-R28 WeakPolarHBondContact OD1-CB 3.45Å; D26-R28 PolarHBondContact OD1-N 3.4Å; R28-N62 PolarHBondContact NH1-ND2 2.88Å; R28-E66 WeakPolarHBondContact CD-OE1 3.35Å; R28-E66 HydrophobicContact CG-CG 4.24Å; R28-E66 IonicContact CZ-OE1 3.26Å; R28-E66 VanDerWaalsContact CZ-OE1 3.26Å; R28-E66 IonicContact NE-OE1 3.64Å; R28-E66 IonicContact NH1-OE1 2.6Å; R28-E66 PolarHBondContact NH1-OE1 3.48Å; R28-E66 IonicContact NH1-OE2 3.96Å
29I90Very high86.3Confident3 Ų362.7 Ų62.72%0.01534%0.339CS..EExtended strand (participates in β ladder)trans-106.8116.8173.7-60.4163.9000108F18 F21 D22 E33 L34 V65 F70F18-I29 HydrophobicContact CD2-CD1 3.43Å; F18-I29 VanDerWaalsContact CD2-CD1 3.43Å; F18-I29 HydrophobicContact CD2-CG1 4.08Å; F18-I29 HydrophobicContact CE2-CD1 3.37Å; F18-I29 HydrophobicContact CE2-CG1 3.6Å; F18-I29 HydrophobicContact CG-CD1 4.35Å; F18-I29 HydrophobicContact CZ-CD1 4.24Å; F18-I29 HydrophobicContact CZ-CG1 3.99Å; F21-I29 HydrophobicContact CB-CD1 3.44Å; F21-I29 VanDerWaalsContact CB-CD1 3.44Å; F21-I29 HydrophobicContact CB-CG1 3.78Å; F21-I29 HydrophobicContact CB-CG2 4.27Å; F21-I29 HydrophobicContact CG-CD1 4.19Å; D22-I29 HydrophobicContact CB-CG1 4.42Å; I29-E33 HydrophobicContact CG2-CB 4.32Å; I29-L34 HydrophobicContact CG2-CB 3.95Å; I29-V65 HydrophobicContact CB-CB 4.28Å; I29-V65 PolarHBondContact N-O 2.67Å; I29-V65 PolarHBondContact O-N 2.77Å; I29-F70 HydrophobicContact CD1-CD2 3.65Å; I29-F70 HydrophobicContact CD1-CE2 4.11Å; I29-F70 HydrophobicContact CD1-CG 4.25Å
30T90.1Very high85.9Confident40 Ų4067.4 Ų67.425%0.24536%0.357CS..  trans-85.5162.9172.763.10000111.6T32 E33 L34 T64T30-T32 PolarHBondContact O-N 3.38Å; T30-E33 WeakPolarHBondContact CB-OE2 3.48Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.31Å; T30-E33 PolarHBondContact N-OE2 2.99Å; T30-E33 PolarHBondContact O-N 3.5Å; T30-E33 VanDerWaalsContact O-N 3.16Å; T30-E33 WeakPolarHBondContact OG1-CG 3.5Å; T30-E33 PolarHBondContact OG1-N 2.93Å; T30-E33 PolarHBondContact OG1-OE2 3.13Å; T30-L34 PolarHBondContact O-N 2.79Å; T30-T64 HydrophobicContact CG2-CG2 3.94Å
31E89.4Confident85.5Confident72 Ų7266 Ų6634%0.33635%0.35SS..Hα-helixtrans-50.9-39.5170.7-70.2-179.6-16100112E35 V50 I54E31-E35 VanDerWaalsContact O-CB 3.3Å; E31-E35 WeakPolarHBondContact O-CB 3.49Å; E31-E35 PolarHBondContact O-N 2.77Å; E31-V50 HydrophobicContact CB-CG1 4.15Å; E31-V50 WeakPolarHBondContact O-CG1 3.22Å; E31-I54 HydrophobicContact CG-CB 4.35Å; E31-I54 HydrophobicContact CG-CG1 3.82Å
32T88.6Confident85Confident100 Ų10067.3 Ų67.361%0.61337%0.372SS*.Hα-helixtrans-68.8-40.5-177.9-50.40000111.8T30 S36T30-T32 PolarHBondContact O-N 3.38Å; T32-S36 VanDerWaalsContact O-CB 3.3Å; T32-S36 WeakPolarHBondContact O-CB 3.47Å; T32-S36 PolarHBondContact O-N 2.98Å
33E89.4Confident84.5Confident16 Ų1670.3 Ų70.38%0.07539%0.391CS..Hα-helixtrans-68.8-43.6178.1-79.6160.4153.400111.4F21 V23 N24 I29 T30 S36 V37F21-E33 WeakPolarHBondContact O-CB 3.34Å; V23-E33 HydrophobicContact CB-CG 4.31Å; V23-E33 HydrophobicContact CG2-CG 4.34Å; N24-E33 PolarHBondContact N-OE1 2.84Å; N24-E33 PolarHBondContact ND2-OE1 3.37Å; I29-E33 HydrophobicContact CG2-CB 4.32Å; T30-E33 WeakPolarHBondContact CB-OE2 3.48Å; T30-E33 WeakPolarHBondContact CG2-OE2 3.31Å; T30-E33 PolarHBondContact N-OE2 2.99Å; T30-E33 PolarHBondContact O-N 3.5Å; T30-E33 VanDerWaalsContact O-N 3.16Å; T30-E33 WeakPolarHBondContact OG1-CG 3.5Å; T30-E33 PolarHBondContact OG1-N 2.93Å; T30-E33 PolarHBondContact OG1-OE2 3.13Å; E33-S36 WeakPolarHBondContact O-CB 3.48Å; E33-S36 PolarHBondContact O-N 3.14Å; E33-V37 WeakPolarHBondContact O-CG2 3.21Å; E33-V37 PolarHBondContact O-N 2.83Å
34L86.9Confident84.1Confident13 Ų1375.6 Ų75.67%0.06841%0.406CS..Hα-helixtrans-60.8-47174.7-175.756.9000111.4F21 I29 T30 S36 V37 L38 V50 M53 I54F21-L34 HydrophobicContact CD1-CD1 3.72Å; F21-L34 HydrophobicContact CE1-CD1 3.62Å; I29-L34 HydrophobicContact CG2-CB 3.95Å; T30-L34 PolarHBondContact O-N 2.79Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 2.98Å; L34-V37 PolarHBondContact O-N 3.29Å; L34-L38 HydrophobicContact CD1-CD1 3.88Å; L34-L38 HydrophobicContact CD1-CG 4.11Å; L34-L38 HydrophobicContact CG-CD1 3.82Å; L34-L38 HydrophobicContact CG-CG 4.47Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 WeakPolarHBondContact O-CG 3.32Å; L34-L38 PolarHBondContact O-N 3.29Å; L34-V50 HydrophobicContact CB-CG1 4.09Å; L34-V50 HydrophobicContact CD2-CG1 3.99Å; L34-V50 HydrophobicContact CG-CG1 4.11Å; L34-M53 HydrophobicContact CD2-CB 3.99Å; L34-M53 HydrophobicContact CD2-SD 4.47Å; L34-I54 HydrophobicContact CB-CD1 4.4Å; L34-I54 HydrophobicContact CD2-CD1 3.69Å; L34-I54 HydrophobicContact CD2-CG1 4.03Å
35E86.1Confident83.7Confident64 Ų6473 Ų7330%0.29939%0.393SS..Hα-helixtrans-58.3-44.2175.6-176.2176.2-154.900111.6E31 G39 R47 V50E31-E35 VanDerWaalsContact O-CB 3.3Å; E31-E35 WeakPolarHBondContact O-CB 3.49Å; E31-E35 PolarHBondContact O-N 2.77Å; E35-G39 PolarHBondContact O-N 3.03Å; E35-R47 IonicContact OE2-NE 3.99Å; E35-V50 HydrophobicContact CB-CG1 4.44Å; E35-V50 HydrophobicContact CB-CG2 4.25Å
36S85.8Confident83.7Confident74 Ų7467.4 Ų67.452%0.51738%0.38SS..Hα-helixtrans-61-47.5179-175.50000112T32 E33 L34 G39 F40T32-S36 VanDerWaalsContact O-CB 3.3Å; T32-S36 WeakPolarHBondContact O-CB 3.47Å; T32-S36 PolarHBondContact O-N 2.98Å; E33-S36 WeakPolarHBondContact O-CB 3.48Å; E33-S36 PolarHBondContact O-N 3.14Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 2.98Å; S36-G39 PolarHBondContact O-N 3.27Å; S36-F40 PolarHBondContact O-N 3.17Å
37V83.6Confident83.4Confident16 Ų1671.7 Ų71.710%0.09739%0.39CS..Hα-helixtrans-70.5-41-177.81780000111.4L20 F21 V23 E33 L34 G39 F40 L41L20-V37 WeakPolarHBondContact O-CG2 3.16Å; F21-V37 HydrophobicContact CD1-CB 3.55Å; F21-V37 HydrophobicContact CD1-CG1 3.46Å; F21-V37 VanDerWaalsContact CD1-CG1 3.46Å; F21-V37 HydrophobicContact CD1-CG2 3.93Å; F21-V37 HydrophobicContact CE1-CB 3.75Å; F21-V37 HydrophobicContact CE1-CG1 3.34Å; F21-V37 HydrophobicContact CG-CB 4.47Å; F21-V37 HydrophobicContact CG-CG1 4.18Å; F21-V37 HydrophobicContact CG-CG2 4.49Å; F21-V37 HydrophobicContact CZ-CG1 3.96Å; V23-V37 HydrophobicContact CG2-CG2 4.37Å; E33-V37 WeakPolarHBondContact O-CG2 3.21Å; E33-V37 PolarHBondContact O-N 2.83Å; L34-V37 PolarHBondContact O-N 3.29Å; V37-G39 VanDerWaalsContact C-N 3.31Å; V37-G39 PolarHBondContact O-N 3.44Å; V37-F40 WeakPolarHBondContact O-CB 3.39Å; V37-F40 PolarHBondContact O-N 2.95Å; V37-F40 VanDerWaalsContact O-N 3.15Å; V37-L41 HydrophobicContact CG1-CD1 4.14Å; V37-L41 HydrophobicContact CG1-CG 4.42Å; V37-L41 WeakPolarHBondContact O-CG 3.19Å; V37-L41 PolarHBondContact O-N 2.89Å
38L81.7Confident83.2Confident20 Ų2075.2 Ų75.211%0.10540%0.401CS..Hα-helixtrans-62-41.5175-69.9170.1000111.4L34 F40 L41 G42 V43 T45 V50 M53L34-L38 HydrophobicContact CD1-CD1 3.88Å; L34-L38 HydrophobicContact CD1-CG 4.11Å; L34-L38 HydrophobicContact CG-CD1 3.82Å; L34-L38 HydrophobicContact CG-CG 4.47Å; L34-L38 WeakPolarHBondContact O-CB 3.38Å; L34-L38 WeakPolarHBondContact O-CG 3.32Å; L34-L38 PolarHBondContact O-N 3.29Å; L38-F40 VanDerWaalsContact C-N 3.35Å; L38-F40 PolarHBondContact O-N 3.45Å; L38-L41 PolarHBondContact O-N 3.48Å; L38-G42 PolarHBondContact O-N 3.42Å; L38-G42 VanDerWaalsContact O-N 3.16Å; L38-V43 CarbonylContact C-O 3.56Å; L38-V43 HydrophobicContact CB-CB 4.32Å; L38-V43 HydrophobicContact CD2-CB 4.19Å; L38-V43 HydrophobicContact CD2-CG1 4.36Å; L38-V43 HydrophobicContact CD2-CG2 4.4Å; L38-V43 PolarHBondContact O-N 3.16Å; L38-T45 HydrophobicContact CB-CG2 4.46Å; L38-T45 HydrophobicContact CD1-CG2 3.79Å; L38-V50 HydrophobicContact CD1-CG2 4.22Å; L38-M53 HydrophobicContact CD1-SD 4.28Å
39G76.7Confident82.7Confident51 Ų5174.3 Ų74.353%0.52640%0.402SS..Hα-helixtrans-59.7-42.817200000112.7E35 S36 V37 G42E35-G39 PolarHBondContact O-N 3.03Å; S36-G39 PolarHBondContact O-N 3.27Å; V37-G39 VanDerWaalsContact C-N 3.31Å; V37-G39 PolarHBondContact O-N 3.44Å; G39-G42 PolarHBondContact O-N 3.01Å; G39-G42 VanDerWaalsContact O-N 3.1Å
40F77Confident82.5Confident185 Ų18574.2 Ų74.281%0.81140%0.401SS*.Hα-helixtrans-64.4-38.3176.1-175.2-97.9000112.7S36 V37 L38 G42S36-F40 PolarHBondContact O-N 3.17Å; V37-F40 WeakPolarHBondContact O-CB 3.39Å; V37-F40 PolarHBondContact O-N 2.95Å; V37-F40 VanDerWaalsContact O-N 3.15Å; L38-F40 VanDerWaalsContact C-N 3.35Å; L38-F40 PolarHBondContact O-N 3.45Å; F40-G42 PolarHBondContact O-N 3.19Å
41L74.4Confident82.3Confident97 Ų9779.5 Ų79.551%0.50842%0.417SS..THydrogen-bonded Turntrans-73.6-4.4174.6-66.6175000113.3V37 L38 V43V37-L41 HydrophobicContact CG1-CD1 4.14Å; V37-L41 HydrophobicContact CG1-CG 4.42Å; V37-L41 WeakPolarHBondContact O-CG 3.19Å; V37-L41 PolarHBondContact O-N 2.89Å; L38-L41 PolarHBondContact O-N 3.48Å; L41-V43 VanDerWaalsContact C-N 3.28Å; L41-V43 HydrophobicContact CB-CG2 4.16Å; L41-V43 PolarHBondContact O-N 3.47Å
42G74.7Confident81.9Confident60 Ų6083.5 Ų83.562%0.61943%0.429SS*.THydrogen-bonded Turntrans76.113.1-178.100000114.1L38 G39 F40 K44L38-G42 PolarHBondContact O-N 3.42Å; L38-G42 VanDerWaalsContact O-N 3.16Å; G39-G42 PolarHBondContact O-N 3.01Å; G39-G42 VanDerWaalsContact O-N 3.1Å; F40-G42 PolarHBondContact O-N 3.19Å; G42-K44 PolarHBondContact O-N 2.88Å
43V76Confident81.6Confident70 Ų7082.3 Ų82.342%0.42442%0.417SS..  trans-81116.1174.6-173.20000108L38 L41 T45L38-V43 CarbonylContact C-O 3.56Å; L38-V43 HydrophobicContact CB-CB 4.32Å; L38-V43 HydrophobicContact CD2-CB 4.19Å; L38-V43 HydrophobicContact CD2-CG1 4.36Å; L38-V43 HydrophobicContact CD2-CG2 4.4Å; L38-V43 PolarHBondContact O-N 3.16Å; L41-V43 VanDerWaalsContact C-N 3.28Å; L41-V43 HydrophobicContact CB-CG2 4.16Å; L41-V43 PolarHBondContact O-N 3.47Å; V43-T45 HydrophobicContact CG1-CG2 3.8Å; V43-T45 PolarHBondContact O-N 3.24Å
44K74.9Confident81.4Confident204 Ų20481.8 Ų81.889%0.88742%0.415SS*.  trans-77.4103.8174.2-66.8-173.7-179-178.70108.9G42G42-K44 PolarHBondContact O-N 2.88Å
45T79.3Confident81.3Confident32 Ų3287.6 Ų87.620%0.19644%0.442CS..  trans-116145.7171.852.50000110.8L38 V43 M53L38-T45 HydrophobicContact CB-CG2 4.46Å; L38-T45 HydrophobicContact CD1-CG2 3.79Å; V43-T45 HydrophobicContact CG1-CG2 3.8Å; V43-T45 PolarHBondContact O-N 3.24Å; T45-M53 HydrophobicContact CG2-CE 4.39Å
46T84.7Confident81.1Confident74 Ų7490.4 Ų90.445%0.45446%0.459SS..  trans-87.8156.4169.960.20000110.2D48 E49 V50T46-D48 PolarHBondContact O-N 3.2Å; T46-E49 PolarHBondContact N-OE2 3.14Å; T46-E49 WeakPolarHBondContact O-CB 3.42Å; T46-E49 PolarHBondContact O-N 3.39Å; T46-E49 VanDerWaalsContact OG1-CG 3.28Å; T46-E49 WeakPolarHBondContact OG1-CG 3.37Å; T46-E49 PolarHBondContact OG1-N 2.95Å; T46-E49 PolarHBondContact OG1-OE2 3.48Å; T46-V50 WeakPolarHBondContact O-CG2 3.43Å; T46-V50 PolarHBondContact O-N 3.4Å
47R83.4Confident80.9Confident177 Ų17787 Ų8767%0.66844%0.435SS*.Hα-helixtrans-55.1-36.1173.9-79.2-172.3171.9-169.6-4.4112.9E35 E49 V50 R51E35-R47 IonicContact OE2-NE 3.99Å; R47-E49 VanDerWaalsContact C-N 3.32Å; R47-E49 PolarHBondContact O-N 3.48Å; R47-V50 PolarHBondContact O-N 3.31Å; R47-R51 VanDerWaalsContact O-CB 3.24Å; R47-R51 WeakPolarHBondContact O-CB 3.49Å; R47-R51 PolarHBondContact O-N 3.17Å
48D84.3Confident81Confident106 Ų10687.6 Ų87.657%0.56744%0.438SS*.Hα-helixtrans-68.1-30.5177.4-66.9-42.1000113T46 R52T46-D48 PolarHBondContact O-N 3.2Å; D48-R52 VanDerWaalsContact O-CG 3.27Å; D48-R52 WeakPolarHBondContact O-CG 3.44Å; D48-R52 PolarHBondContact O-N 3.06Å; D48-R52 PolarHBondContact O-NE 2.71Å
49E80.5Confident81Confident86 Ų8690.3 Ų90.340%0.40246%0.458SS..Hα-helixtrans-75-44.8173.7-73.4164.1141.700110.9T46 R47 R51 R52 M53T46-E49 PolarHBondContact N-OE2 3.14Å; T46-E49 WeakPolarHBondContact O-CB 3.42Å; T46-E49 PolarHBondContact O-N 3.39Å; T46-E49 VanDerWaalsContact OG1-CG 3.28Å; T46-E49 WeakPolarHBondContact OG1-CG 3.37Å; T46-E49 PolarHBondContact OG1-N 2.95Å; T46-E49 PolarHBondContact OG1-OE2 3.48Å; R47-E49 VanDerWaalsContact C-N 3.32Å; R47-E49 PolarHBondContact O-N 3.48Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.42Å; E49-R52 WeakPolarHBondContact O-CB 3.45Å; E49-R52 PolarHBondContact O-N 2.9Å; E49-M53 WeakPolarHBondContact O-CG 2.92Å; E49-M53 PolarHBondContact O-N 3.37Å
50V84.1Confident81.3Confident2 Ų292.9 Ų92.91%0.01246%0.459CS..Hα-helixtrans-58.5-47176.1174.50000110.4E31 L34 E35 L38 T46 R47 R52 M53 I54E31-V50 HydrophobicContact CB-CG1 4.15Å; E31-V50 WeakPolarHBondContact O-CG1 3.22Å; L34-V50 HydrophobicContact CB-CG1 4.09Å; L34-V50 HydrophobicContact CD2-CG1 3.99Å; L34-V50 HydrophobicContact CG-CG1 4.11Å; E35-V50 HydrophobicContact CB-CG1 4.44Å; E35-V50 HydrophobicContact CB-CG2 4.25Å; L38-V50 HydrophobicContact CD1-CG2 4.22Å; T46-V50 WeakPolarHBondContact O-CG2 3.43Å; T46-V50 PolarHBondContact O-N 3.4Å; R47-V50 PolarHBondContact O-N 3.31Å; V50-R52 VanDerWaalsContact C-N 3.31Å; V50-R52 PolarHBondContact O-N 3Å; V50-M53 WeakPolarHBondContact O-CB 3.14Å; V50-M53 PolarHBondContact O-N 2.87Å; V50-M53 VanDerWaalsContact O-N 3.1Å; V50-I54 WeakPolarHBondContact O-CG1 3.33Å; V50-I54 PolarHBondContact O-N 2.91Å
51R85.9Confident81.6Confident150 Ų15086.9 Ų86.957%0.56645%0.45SS*.Hα-helixtrans-60.4-39.3177.3-174.2172.5-172.8162.96.8112.6R47 E49 I54 Q55R47-R51 VanDerWaalsContact O-CB 3.24Å; R47-R51 WeakPolarHBondContact O-CB 3.49Å; R47-R51 PolarHBondContact O-N 3.17Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 3.42Å; R51-I54 PolarHBondContact O-N 3.41Å; R51-Q55 VanDerWaalsContact O-CB 3.29Å; R51-Q55 WeakPolarHBondContact O-CB 3.32Å; R51-Q55 PolarHBondContact O-N 2.76Å
52R82.5Confident82.2Confident156 Ų15685.1 Ų85.159%0.58944%0.441SS*.Hα-helixtrans-65.1-42173.2-78.1179.4-128-135.22.2111.9D48 E49 V50 I54 Q55 D56D48-R52 VanDerWaalsContact O-CG 3.27Å; D48-R52 WeakPolarHBondContact O-CG 3.44Å; D48-R52 PolarHBondContact O-N 3.06Å; D48-R52 PolarHBondContact O-NE 2.71Å; E49-R52 WeakPolarHBondContact O-CB 3.45Å; E49-R52 PolarHBondContact O-N 2.9Å; V50-R52 VanDerWaalsContact C-N 3.31Å; V50-R52 PolarHBondContact O-N 3Å; R52-I54 VanDerWaalsContact C-N 3.32Å; R52-I54 PolarHBondContact O-N 3.22Å; R52-Q55 PolarHBondContact O-N 2.9Å; R52-D56 VanDerWaalsContact O-CB 3.3Å; R52-D56 WeakPolarHBondContact O-CB 3.36Å; R52-D56 PolarHBondContact O-N 3.17Å
53M82.4Confident82.8Confident75 Ų7584.1 Ų84.137%0.36943%0.43SS..Hα-helixtrans-61.1-42.4176.8-67.7178.6-170.700111.8L34 L38 T45 E49 V50 A57L34-M53 HydrophobicContact CD2-CB 3.99Å; L34-M53 HydrophobicContact CD2-SD 4.47Å; L38-M53 HydrophobicContact CD1-SD 4.28Å; T45-M53 HydrophobicContact CG2-CE 4.39Å; E49-M53 WeakPolarHBondContact O-CG 2.92Å; E49-M53 PolarHBondContact O-N 3.37Å; V50-M53 WeakPolarHBondContact O-CB 3.14Å; V50-M53 PolarHBondContact O-N 2.87Å; V50-M53 VanDerWaalsContact O-N 3.1Å; M53-A57 WeakPolarHBondContact O-CB 3.24Å; M53-A57 PolarHBondContact O-N 2.95Å
54I85.6Confident83.4Confident5 Ų581.9 Ų81.93%0.02642%0.417CS..Hα-helixtrans-63.5-52.1173.9-63.8-63.1000109.8E31 L34 V50 R51 R52 D56 A57 D58 V65E31-I54 HydrophobicContact CG-CB 4.35Å; E31-I54 HydrophobicContact CG-CG1 3.82Å; L34-I54 HydrophobicContact CB-CD1 4.4Å; L34-I54 HydrophobicContact CD2-CD1 3.69Å; L34-I54 HydrophobicContact CD2-CG1 4.03Å; V50-I54 WeakPolarHBondContact O-CG1 3.33Å; V50-I54 PolarHBondContact O-N 2.91Å; R51-I54 PolarHBondContact O-N 3.41Å; R52-I54 VanDerWaalsContact C-N 3.32Å; R52-I54 PolarHBondContact O-N 3.22Å; I54-D56 VanDerWaalsContact C-N 3.28Å; I54-D56 PolarHBondContact O-N 3.23Å; I54-A57 PolarHBondContact O-N 3.5Å; I54-D58 HydrophobicContact CG2-CB 4.44Å; I54-D58 WeakPolarHBondContact O-CB 3.47Å; I54-D58 PolarHBondContact O-N 2.81Å; I54-V65 HydrophobicContact CB-CG2 4.42Å; I54-V65 HydrophobicContact CD1-CB 4.37Å; I54-V65 HydrophobicContact CD1-CG2 3.52Å; I54-V65 HydrophobicContact CG2-CG2 4.15Å
55Q83.7Confident84Confident135 Ų13572.3 Ų72.363%0.63138%0.376SS*.Hα-helixtrans-59.1-35.9-179.5-17517814.200113.5R51 R52 A57R51-Q55 VanDerWaalsContact O-CB 3.29Å; R51-Q55 WeakPolarHBondContact O-CB 3.32Å; R51-Q55 PolarHBondContact O-N 2.76Å; R52-Q55 PolarHBondContact O-N 2.9Å; Q55-A57 VanDerWaalsContact C-N 3.26Å; Q55-A57 PolarHBondContact O-N 2.86Å
56D82Confident84.5Confident123 Ų12372.2 Ų72.266%0.65837%0.373SS*.Hα-helixtrans-72.1-22.6178.3-74-14.9000112.3R52 I54R52-D56 VanDerWaalsContact O-CB 3.3Å; R52-D56 WeakPolarHBondContact O-CB 3.36Å; R52-D56 PolarHBondContact O-N 3.17Å; I54-D56 VanDerWaalsContact C-N 3.28Å; I54-D56 PolarHBondContact O-N 3.23Å
57A82Confident84.5Confident3 Ų370.4 Ų70.43%0.02536%0.359CS..Hα-helixtrans-97.6-37.9-179.400000113.1M53 I54 Q55 C59 V65 E69 M73M53-A57 WeakPolarHBondContact O-CB 3.24Å; M53-A57 PolarHBondContact O-N 2.95Å; I54-A57 PolarHBondContact O-N 3.5Å; Q55-A57 VanDerWaalsContact C-N 3.26Å; Q55-A57 PolarHBondContact O-N 2.86Å; A57-C59 PolarHBondContact O-N 2.86Å; A57-C59 PolarHBondContact O-SG 2.95Å; A57-V65 HydrophobicContact CB-CG1 4.09Å; A57-V65 HydrophobicContact CB-CG2 3.67Å; A57-E69 WeakPolarHBondContact O-CB 3.45Å; A57-M73 HydrophobicContact CB-CB 3.89Å; A57-M73 HydrophobicContact CB-CG 4.06Å; A57-M73 HydrophobicContact CB-SD 3.8Å
58D85.7Confident84.5Confident29 Ų2967.4 Ų67.416%0.15536%0.356CS..  trans-64.890.5-179.7179.710.6000110.3I54 D60 G61 N62 G63I54-D58 HydrophobicContact CG2-CB 4.44Å; I54-D58 WeakPolarHBondContact O-CB 3.47Å; I54-D58 PolarHBondContact O-N 2.81Å; D58-D60 VanDerWaalsContact OD1-OD1 3.07Å; D58-G61 WeakPolarHBondContact OD1-CA 3.48Å; D58-G61 PolarHBondContact OD1-N 3.09Å; D58-G61 VanDerWaalsContact OD2-C 3.32Å; D58-G61 WeakPolarHBondContact OD2-CA 3.48Å; D58-N62 PolarHBondContact OD1-N 3.19Å; D58-N62 PolarHBondContact OD2-N 3.45Å; D58-G63 VanDerWaalsContact OD2-CA 3.27Å; D58-G63 WeakPolarHBondContact OD2-CA 3.49Å; D58-G63 PolarHBondContact OD2-N 2.74Å
59C80.5Confident84.6Confident77 Ų7762.8 Ų62.852%0.5233%0.331SS..SBendtrans-81.1-27.1-176.6-68.90000111.7A57 E69A57-C59 PolarHBondContact O-N 2.86Å; A57-C59 PolarHBondContact O-SG 2.95Å; C59-E69 PolarHBondContact N-OE1 3.28Å
60D83.8Confident84.7Confident104 Ų10458.9 Ų58.956%0.55631%0.313SS*.SBendtrans-94.4-11.6-179.180.9-3.7000113.5D58 N62 E69D58-D60 VanDerWaalsContact OD1-OD1 3.07Å; D60-N62 VanDerWaalsContact CG-ND2 3.27Å; D60-N62 WeakPolarHBondContact OD1-CB 3.18Å; D60-N62 PolarHBondContact OD1-N 3.38Å; D60-N62 PolarHBondContact OD1-ND2 2.91Å; D60-N62 PolarHBondContact OD2-ND2 2.82Å; D60-E69 PolarHBondContact N-OE1 2.91Å
61G83Confident84.5Confident60 Ų6059.7 Ų59.762%0.61932%0.317SS*.  trans78.121.4177.500000113.7D58 G63D58-G61 WeakPolarHBondContact OD1-CA 3.48Å; D58-G61 PolarHBondContact OD1-N 3.09Å; D58-G61 VanDerWaalsContact OD2-C 3.32Å; D58-G61 WeakPolarHBondContact OD2-CA 3.48Å; G61-G63 VanDerWaalsContact C-N 3.27Å; G61-G63 PolarHBondContact O-N 3.33Å
62N87.1Confident83.9Confident60 Ų6059.8 Ų59.832%0.32132%0.317SS..SBendtrans-80.1-6.8-177.573.931.5000113.7R28 D58 D60 T64 E66R28-N62 PolarHBondContact NH1-ND2 2.88Å; D58-N62 PolarHBondContact OD1-N 3.19Å; D58-N62 PolarHBondContact OD2-N 3.45Å; D60-N62 VanDerWaalsContact CG-ND2 3.27Å; D60-N62 WeakPolarHBondContact OD1-CB 3.18Å; D60-N62 PolarHBondContact OD1-N 3.38Å; D60-N62 PolarHBondContact OD1-ND2 2.91Å; D60-N62 PolarHBondContact OD2-ND2 2.82Å; N62-T64 VanDerWaalsContact C-N 3.34Å; N62-T64 WeakPolarHBondContact OD1-CA 3.49Å; N62-T64 WeakPolarHBondContact OD1-CB 3.25Å; N62-T64 PolarHBondContact OD1-N 2.9Å; N62-T64 PolarHBondContact OD1-O 2.73Å; N62-T64 VanDerWaalsContact OD1-O 3.1Å; N62-T64 PolarHBondContact OD1-OG1 3.08Å; N62-E66 PolarHBondContact ND2-OE1 2.85Å; N62-E66 PolarHBondContact ND2-OE2 2.61Å
63G86.5Confident83.6Confident38 Ų3854.7 Ų54.739%0.39230%0.301SS..SBendtrans83.28178.500000114.4D58 G61D58-G63 VanDerWaalsContact OD2-CA 3.27Å; D58-G63 WeakPolarHBondContact OD2-CA 3.49Å; D58-G63 PolarHBondContact OD2-N 2.74Å; G61-G63 VanDerWaalsContact C-N 3.27Å; G61-G63 PolarHBondContact O-N 3.33Å
64T88.9Confident83.1Confident24 Ų2452.5 Ų52.515%0.14729%0.29CS..SBendtrans-131.8167.617660.70000109.7T30 N62 E66T30-T64 HydrophobicContact CG2-CG2 3.94Å; N62-T64 VanDerWaalsContact C-N 3.34Å; N62-T64 WeakPolarHBondContact OD1-CA 3.49Å; N62-T64 WeakPolarHBondContact OD1-CB 3.25Å; N62-T64 PolarHBondContact OD1-N 2.9Å; N62-T64 PolarHBondContact OD1-O 2.73Å; N62-T64 VanDerWaalsContact OD1-O 3.1Å; N62-T64 PolarHBondContact OD1-OG1 3.08Å; T64-E66 PolarHBondContact OG1-OE1 3.09Å; T64-E66 VanDerWaalsContact OG1-OE1 3.05Å
65V89Confident82.2Confident3 Ų358.8 Ų58.82%0.01831%0.313CS..EExtended strand (participates in β ladder)trans-113.6110.7176.91770000109I29 I54 A57 E69 F70I29-V65 HydrophobicContact CB-CB 4.28Å; I29-V65 PolarHBondContact N-O 2.67Å; I29-V65 PolarHBondContact O-N 2.77Å; I54-V65 HydrophobicContact CB-CG2 4.42Å; I54-V65 HydrophobicContact CD1-CB 4.37Å; I54-V65 HydrophobicContact CD1-CG2 3.52Å; I54-V65 HydrophobicContact CG2-CG2 4.15Å; A57-V65 HydrophobicContact CB-CG1 4.09Å; A57-V65 HydrophobicContact CB-CG2 3.67Å; V65-E69 WeakPolarHBondContact CA-OE2 3.13Å; V65-E69 HydrophobicContact CG1-CB 3.85Å; V65-F70 HydrophobicContact CG1-CB 3.83Å
66E89.9Confident81.3Confident30 Ų3060.5 Ų60.514%0.1431%0.314CS..EExtended strand (participates in β ladder)trans-73.8164.7171.2-76.277.3-127.100111.7R28 N62 T64 D68 E69 F70R28-E66 WeakPolarHBondContact CD-OE1 3.35Å; R28-E66 HydrophobicContact CG-CG 4.24Å; R28-E66 IonicContact CZ-OE1 3.26Å; R28-E66 VanDerWaalsContact CZ-OE1 3.26Å; R28-E66 IonicContact NE-OE1 3.64Å; R28-E66 IonicContact NH1-OE1 2.6Å; R28-E66 PolarHBondContact NH1-OE1 3.48Å; R28-E66 IonicContact NH1-OE2 3.96Å; N62-E66 PolarHBondContact ND2-OE1 2.85Å; N62-E66 PolarHBondContact ND2-OE2 2.61Å; T64-E66 PolarHBondContact OG1-OE1 3.09Å; T64-E66 VanDerWaalsContact OG1-OE1 3.05Å; E66-D68 VanDerWaalsContact C-N 3.26Å; E66-D68 PolarHBondContact O-N 3.26Å; E66-E69 HydrophobicContact CB-CG 4.47Å; E66-E69 PolarHBondContact N-OE2 3.04Å; E66-E69 WeakPolarHBondContact O-CB 3.46Å; E66-E69 PolarHBondContact O-N 2.8Å; E66-F70 PolarHBondContact O-N 2.96Å
67F84.7Confident80.3Confident36 Ų3660.7 Ų60.716%0.15831%0.306CS..Hα-helixtrans-51.8-42.9176.5-179-111.2000113.4R15 F18 E69 F70 L71R15-F67 HydrophobicContact CB-CE2 4.21Å; R15-F67 HydrophobicContact CB-CZ 4.31Å; R15-F67 HydrophobicContact CG-CE1 4.01Å; R15-F67 HydrophobicContact CG-CE2 3.56Å; R15-F67 HydrophobicContact CG-CZ 3.24Å; F18-F67 HydrophobicContact CB-CD2 3.67Å; F18-F67 HydrophobicContact CB-CE2 4Å; F18-F67 HydrophobicContact CD1-CB 4.39Å; F18-F67 HydrophobicContact CD1-CD2 4.04Å; F18-F67 HydrophobicContact CD2-CB 4.23Å; F18-F67 AromaticContact CD2-CD2 3.84Å; F18-F67 HydrophobicContact CD2-CD2 3.84Å; F18-F67 HydrophobicContact CE1-CB 4.26Å; F18-F67 VanDerWaalsContact CE2-CA 3.47Å; F18-F67 HydrophobicContact CE2-CB 4.08Å; F18-F67 HydrophobicContact CG-CB 4.39Å; F18-F67 AromaticContact CG-CD2 3.57Å; F18-F67 HydrophobicContact CG-CD2 3.57Å; F18-F67 HydrophobicContact CG-CE2 4.39Å; F18-F67 HydrophobicContact CG-CG 4.45Å; F18-F67 HydrophobicContact CZ-CB 4.11Å; F67-E69 VanDerWaalsContact C-N 3.3Å; F67-E69 PolarHBondContact O-N 3.3Å; F67-F70 PolarHBondContact O-N 3.16Å; F67-L71 HydrophobicContact CD1-CD1 4.04Å; F67-L71 HydrophobicContact CD1-CG 4.42Å; F67-L71 HydrophobicContact CE1-CD1 3.43Å; F67-L71 VanDerWaalsContact CE1-CD1 3.43Å; F67-L71 HydrophobicContact CE1-CD2 4.43Å; F67-L71 HydrophobicContact CE1-CG 3.95Å; F67-L71 HydrophobicContact CE2-CD1 4.4Å; F67-L71 HydrophobicContact CE2-CD2 4.05Å; F67-L71 HydrophobicContact CE2-CG 4.04Å; F67-L71 HydrophobicContact CZ-CD1 3.62Å; F67-L71 HydrophobicContact CZ-CD2 3.75Å; F67-L71 HydrophobicContact CZ-CG 3.72Å; F67-L71 WeakPolarHBondContact O-CG 3.18Å; F67-L71 PolarHBondContact O-N 2.76Å
68D83.4Confident79.1Confident113 Ų11361.2 Ų61.260%0.60431%0.31SS*.Hα-helixtrans-64.6-34.7178.7-74.1-44.4000112.6E66 R72E66-D68 VanDerWaalsContact C-N 3.26Å; E66-D68 PolarHBondContact O-N 3.26Å; D68-R72 WeakPolarHBondContact O-CG 3.37Å; D68-R72 PolarHBondContact O-N 3Å
69E84.5Confident77.5Confident10 Ų1065.5 Ų65.55%0.04733%0.329CS..Hα-helixtrans-75.2-41.2177.2-63.5-177.613700111.4A57 C59 D60 V65 E66 F67 L71 R72 M73A57-E69 WeakPolarHBondContact O-CB 3.45Å; C59-E69 PolarHBondContact N-OE1 3.28Å; D60-E69 PolarHBondContact N-OE1 2.91Å; V65-E69 WeakPolarHBondContact CA-OE2 3.13Å; V65-E69 HydrophobicContact CG1-CB 3.85Å; E66-E69 HydrophobicContact CB-CG 4.47Å; E66-E69 PolarHBondContact N-OE2 3.04Å; E66-E69 WeakPolarHBondContact O-CB 3.46Å; E66-E69 PolarHBondContact O-N 2.8Å; F67-E69 VanDerWaalsContact C-N 3.3Å; F67-E69 PolarHBondContact O-N 3.3Å; E69-L71 VanDerWaalsContact C-N 3.31Å; E69-L71 PolarHBondContact O-N 3.44Å; E69-R72 WeakPolarHBondContact O-CB 3.44Å; E69-R72 PolarHBondContact O-N 2.91Å; E69-R72 VanDerWaalsContact O-N 3.13Å; E69-M73 WeakPolarHBondContact O-CB 3.35Å; E69-M73 PolarHBondContact O-N 3.18Å
70F83.9Confident76.1Confident4 Ų465.8 Ų65.82%0.01833%0.325CS..Hα-helixtrans-58-43.7172.3-177.9-97.8000111.4A17 F18 F21 I29 V65 E66 F67 R72 M73 M74A17-F70 HydrophobicContact CB-CE1 4.15Å; A17-F70 HydrophobicContact CB-CZ 4.14Å; F18-F70 HydrophobicContact CB-CD1 4.18Å; F18-F70 HydrophobicContact CB-CE1 4.31Å; F18-F70 HydrophobicContact CD2-CB 3.71Å; F18-F70 AromaticContact CD2-CD1 3.97Å; F18-F70 HydrophobicContact CD2-CD1 3.97Å; F18-F70 HydrophobicContact CD2-CD2 4.32Å; F18-F70 AromaticContact CD2-CG 3.75Å; F18-F70 HydrophobicContact CD2-CG 3.75Å; F18-F70 HydrophobicContact CE2-CB 4.04Å; F18-F70 HydrophobicContact CE2-CG 4.47Å; F21-F70 AromaticContact CD2-CE2 3.78Å; F21-F70 HydrophobicContact CD2-CE2 3.78Å; F21-F70 AromaticContact CD2-CZ 3.85Å; F21-F70 HydrophobicContact CD2-CZ 3.85Å; F21-F70 AromaticContact CE2-CE2 3.99Å; F21-F70 HydrophobicContact CE2-CE2 3.99Å; F21-F70 AromaticContact CE2-CZ 3.92Å; F21-F70 HydrophobicContact CE2-CZ 3.92Å; I29-F70 HydrophobicContact CD1-CD2 3.65Å; I29-F70 HydrophobicContact CD1-CE2 4.11Å; I29-F70 HydrophobicContact CD1-CG 4.25Å; V65-F70 HydrophobicContact CG1-CB 3.83Å; E66-F70 PolarHBondContact O-N 2.96Å; F67-F70 PolarHBondContact O-N 3.16Å; F70-R72 PolarHBondContact O-N 2.7Å; F70-M73 HydrophobicContact CD2-CE 3.77Å; F70-M73 HydrophobicContact CE2-CE 3.9Å; F70-M73 PolarHBondContact O-N 3.1Å; F70-M74 HydrophobicContact CD1-CG 4.08Å; F70-M74 HydrophobicContact CE1-CG 3.67Å; F70-M74 HydrophobicContact CE2-CG 4.16Å; F70-M74 HydrophobicContact CG-CG 4.5Å; F70-M74 HydrophobicContact CZ-CG 3.71Å; F70-M74 HydrophobicContact CZ-SD 4.12Å; F70-M74 WeakPolarHBondContact O-CB 3.38Å; F70-M74 WeakPolarHBondContact O-CG 3.38Å; F70-M74 PolarHBondContact O-N 3.14Å
71L79.8Confident74.4Confident18 Ų1864.5 Ų64.59%0.09432%0.316CS..Hα-helixtrans-60.2-44.7174.4-74.5-178.4000111.9L14 F67 E69 R75L14-L71 HydrophobicContact CB-CD2 3.46Å; L14-L71 VanDerWaalsContact CB-CD2 3.46Å; L14-L71 HydrophobicContact CD1-CD2 3.33Å; L14-L71 HydrophobicContact CG-CD2 3.96Å; F67-L71 HydrophobicContact CD1-CD1 4.04Å; F67-L71 HydrophobicContact CD1-CG 4.42Å; F67-L71 HydrophobicContact CE1-CD1 3.43Å; F67-L71 VanDerWaalsContact CE1-CD1 3.43Å; F67-L71 HydrophobicContact CE1-CD2 4.43Å; F67-L71 HydrophobicContact CE1-CG 3.95Å; F67-L71 HydrophobicContact CE2-CD1 4.4Å; F67-L71 HydrophobicContact CE2-CD2 4.05Å; F67-L71 HydrophobicContact CE2-CG 4.04Å; F67-L71 HydrophobicContact CZ-CD1 3.62Å; F67-L71 HydrophobicContact CZ-CD2 3.75Å; F67-L71 HydrophobicContact CZ-CG 3.72Å; F67-L71 WeakPolarHBondContact O-CG 3.18Å; F67-L71 PolarHBondContact O-N 2.76Å; E69-L71 VanDerWaalsContact C-N 3.31Å; E69-L71 PolarHBondContact O-N 3.44Å; L71-R75 WeakPolarHBondContact O-CB 3.24Å; L71-R75 VanDerWaalsContact O-CG 3.24Å; L71-R75 WeakPolarHBondContact O-CG 3.16Å; L71-R75 PolarHBondContact O-N 3.19Å
72R73.8Confident72.7Confident152 Ų15268.1 Ų68.157%0.57431%0.311SS*.Hα-helixtrans-61.8-44.7176.6-74174.3-179.2-175.62.6111.3D68 E69 F70 R75 R76D68-R72 WeakPolarHBondContact O-CG 3.37Å; D68-R72 PolarHBondContact O-N 3Å; E69-R72 WeakPolarHBondContact O-CB 3.44Å; E69-R72 PolarHBondContact O-N 2.91Å; E69-R72 VanDerWaalsContact O-N 3.13Å; F70-R72 PolarHBondContact O-N 2.7Å; R72-R75 PolarHBondContact O-N 3.32Å; R72-R76 WeakPolarHBondContact O-CG 3.28Å; R72-R76 PolarHBondContact O-N 3.25Å
73M75.3Confident70.8Confident50 Ų5071.5 Ų71.525%0.24634%0.336CS..Hα-helixtrans-60.7-51.5177.3-175.6-169.86800111.3A57 E69 F70 R75 R76 Y77A57-M73 HydrophobicContact CB-CB 3.89Å; A57-M73 HydrophobicContact CB-CG 4.06Å; A57-M73 HydrophobicContact CB-SD 3.8Å; E69-M73 WeakPolarHBondContact O-CB 3.35Å; E69-M73 PolarHBondContact O-N 3.18Å; F70-M73 HydrophobicContact CD2-CE 3.77Å; F70-M73 HydrophobicContact CE2-CE 3.9Å; F70-M73 PolarHBondContact O-N 3.1Å; M73-R75 VanDerWaalsContact C-N 3.32Å; M73-R75 PolarHBondContact O-N 2.75Å; M73-R76 PolarHBondContact O-N 3.17Å; M73-R76 VanDerWaalsContact O-N 3.16Å; M73-Y77 PolarHBondContact O-N 3.4Å
74M72.1Confident69.1Low28 Ų2873.3 Ų73.314%0.13833%0.333CS..Hα-helixtrans-62.5-38.8-178.9-74.5-68.6-78.300112.1I6 M9 L14 F70 Y77 S78I6-M74 HydrophobicContact CD1-CE 4.02Å; I6-M74 HydrophobicContact CG1-CE 4.32Å; I6-M74 HydrophobicContact CG2-CE 3.74Å; M9-M74 HydrophobicContact SD-CE 4.3Å; L14-M74 HydrophobicContact CD2-CB 3.91Å; L14-M74 HydrophobicContact CD2-CE 3.9Å; L14-M74 HydrophobicContact CD2-CG 4.09Å; F70-M74 HydrophobicContact CD1-CG 4.08Å; F70-M74 HydrophobicContact CE1-CG 3.67Å; F70-M74 HydrophobicContact CE2-CG 4.16Å; F70-M74 HydrophobicContact CG-CG 4.5Å; F70-M74 HydrophobicContact CZ-CG 3.71Å; F70-M74 HydrophobicContact CZ-SD 4.12Å; F70-M74 WeakPolarHBondContact O-CB 3.38Å; F70-M74 WeakPolarHBondContact O-CG 3.38Å; F70-M74 PolarHBondContact O-N 3.14Å; M74-Y77 PolarHBondContact O-N 2.94Å; M74-S78 WeakPolarHBondContact O-CB 3.43Å; M74-S78 PolarHBondContact O-N 3.03Å
75R67.4Low68Low138 Ų13874.6 Ų74.652%0.52134%0.343SS..Hα-helixtrans-63.3-42.1174.6-73.6174.7-178.2-171.53.2111.8D11 L71 R72 M73 Q79D11-R75 IonicContact OD1-NH2 3.19Å; D11-R75 PolarHBondContact OD1-NH2 3.05Å; L71-R75 WeakPolarHBondContact O-CB 3.24Å; L71-R75 VanDerWaalsContact O-CG 3.24Å; L71-R75 WeakPolarHBondContact O-CG 3.16Å; L71-R75 PolarHBondContact O-N 3.19Å; R72-R75 PolarHBondContact O-N 3.32Å; M73-R75 VanDerWaalsContact C-N 3.32Å; M73-R75 PolarHBondContact O-N 2.75Å; R75-Q79 VanDerWaalsContact O-CG 3.23Å; R75-Q79 WeakPolarHBondContact O-CG 3.46Å; R75-Q79 PolarHBondContact O-N 2.74Å; R75-Q79 VanDerWaalsContact O-N 3.14Å
76R64.3Low67.2Low170 Ų17078.4 Ų78.464%0.64237%0.37SS*.Hα-helixtrans-65.4-46.1174.4-75.9-173.8167.4-175.7-3.4112.3R72 M73 S78 Q79 N80R72-R76 WeakPolarHBondContact O-CG 3.28Å; R72-R76 PolarHBondContact O-N 3.25Å; M73-R76 PolarHBondContact O-N 3.17Å; M73-R76 VanDerWaalsContact O-N 3.16Å; R76-S78 VanDerWaalsContact C-N 3.33Å; R76-S78 PolarHBondContact O-N 2.89Å; R76-Q79 WeakPolarHBondContact O-CB 3.24Å; R76-Q79 PolarHBondContact O-N 2.96Å; R76-N80 PolarHBondContact O-N 3.21Å; R76-N80 PolarHBondContact O-OD1 3.25Å; R76-N80 VanDerWaalsContact O-OD1 3.14Å
77Y60.7Low66.8Low128 Ų12879.7 Ų79.750%0.50238%0.378SS..Hα-helixtrans-62.8-41.2179.7-163.4-95.2000112.2M73 M74 Q79 N80 Q81M73-Y77 PolarHBondContact O-N 3.4Å; M74-Y77 PolarHBondContact O-N 2.94Å; Y77-Q79 VanDerWaalsContact C-N 3.32Å; Y77-Q79 PolarHBondContact O-N 3.3Å; Y77-N80 PolarHBondContact O-N 3.26Å; Y77-N80 VanDerWaalsContact O-N 3.15Å; Y77-Q81 HydrophobicContact CD1-CG 3.95Å; Y77-Q81 HydrophobicContact CE1-CG 3.67Å; Y77-Q81 VanDerWaalsContact CZ-NE2 3.27Å; Y77-Q81 WeakPolarHBondContact O-CG 3.48Å; Y77-Q81 PolarHBondContact O-N 3.21Å; Y77-Q81 PolarHBondContact OH-NE2 3.17Å
78S56.3Low66.4Low13 Ų1379.8 Ų79.89%0.09138%0.38CS..Hα-helixtrans-63.5-36176.1-166.40000112.6L7 M74 R76L7-S78 WeakPolarHBondContact CD2-OG 3.19Å; L7-S78 WeakPolarHBondContact CG-OG 3.38Å; L7-S78 PolarHBondContact N-OG 2.97Å; M74-S78 WeakPolarHBondContact O-CB 3.43Å; M74-S78 PolarHBondContact O-N 3.03Å; R76-S78 VanDerWaalsContact C-N 3.33Å; R76-S78 PolarHBondContact O-N 2.89Å
79Q52.6Low66.3Low119 Ų11978.4 Ų78.456%0.55637%0.37SS*.Hα-helixtrans-67.2-37.2172.4-72.6170.3-6.500112R75 R76 Y77R75-Q79 VanDerWaalsContact O-CG 3.23Å; R75-Q79 WeakPolarHBondContact O-CG 3.46Å; R75-Q79 PolarHBondContact O-N 2.74Å; R75-Q79 VanDerWaalsContact O-N 3.14Å; R76-Q79 WeakPolarHBondContact O-CB 3.24Å; R76-Q79 PolarHBondContact O-N 2.96Å; Y77-Q79 VanDerWaalsContact C-N 3.32Å; Y77-Q79 PolarHBondContact O-N 3.3Å
80N51.2Low66.4Low84 Ų8478.3 Ų78.345%0.44937%0.369SS..Hα-helixtrans-78-20.4-176-71.920.9000114.8R76 Y77 E92R76-N80 PolarHBondContact O-N 3.21Å; R76-N80 PolarHBondContact O-OD1 3.25Å; R76-N80 VanDerWaalsContact O-OD1 3.14Å; Y77-N80 PolarHBondContact O-N 3.26Å; Y77-N80 VanDerWaalsContact O-N 3.15Å; N80-E92 PolarHBondContact OD1-OE1 3.1Å
81Q47.6Very low66.6Low76 Ų7683.3 Ų83.336%0.35539%0.388SS..THydrogen-bonded Turntrans-89.5-10.1-176.6-77.3-104.1-2.400114.8Y77Y77-Q81 HydrophobicContact CD1-CG 3.95Å; Y77-Q81 HydrophobicContact CE1-CG 3.67Å; Y77-Q81 VanDerWaalsContact CZ-NE2 3.27Å; Y77-Q81 WeakPolarHBondContact O-CG 3.48Å; Y77-Q81 PolarHBondContact O-N 3.21Å; Y77-Q81 PolarHBondContact OH-NE2 3.17Å
82R48.2Very low66.7Low137 Ų13785.4 Ų85.452%0.51740%0.398SS..SBendtrans-63.5144.4171.5-64.3177.872.4133.2-0.7108.6L7 K84L7-R82 HydrophobicContact CD1-CG 3.88Å; R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 2.98Å
83P47.6Very low67.4Low130 Ų13079.9 Ų79.984%0.84438%0.384SS*.  trans-54.1105.4160.422.7-30.5000106.7S85P83-S85 PolarHBondContact O-N 2.94Å; P83-S85 VanDerWaalsContact O-N 3.08Å
84K49.9Very low68.1Low76 Ų7677.7 Ų77.733%0.3337%0.373SS..  trans-61.6119.3-168.5-63.1-171.1-178.1-171.50107.1R82 D88 E89 E92R82-K84 VanDerWaalsContact C-N 3.31Å; R82-K84 PolarHBondContact O-N 2.98Å; K84-D88 HydrophobicContact CB-CB 4.28Å; K84-E89 HydrophobicContact CB-CG 3.81Å; K84-E89 HydrophobicContact CD-CG 3.94Å; K84-E92 VanDerWaalsContact CE-OE1 3.24Å; K84-E92 WeakPolarHBondContact CE-OE1 3.48Å; K84-E92 IonicContact NZ-OE1 3.76Å; K84-E92 PolarHBondContact NZ-OE1 3.45Å; K84-E92 IonicContact NZ-OE2 2.98Å; K84-E92 PolarHBondContact NZ-OE2 3.29Å
85S66.3Low68.9Low51 Ų5181 Ų8136%0.35739%0.391SS..  trans-62.4155.1164.569.50000107.4P83 D87 D88 E89P83-S85 PolarHBondContact O-N 2.94Å; P83-S85 VanDerWaalsContact O-N 3.08Å; S85-D87 PolarHBondContact O-N 3.19Å; S85-D87 PolarHBondContact OG-N 3.07Å; S85-D88 WeakPolarHBondContact CB-OD2 3.43Å; S85-D88 PolarHBondContact N-OD2 3.14Å; S85-D88 VanDerWaalsContact N-OD2 3.09Å; S85-D88 PolarHBondContact O-N 3.37Å; S85-D88 PolarHBondContact OG-N 3.15Å; S85-D88 PolarHBondContact OG-OD2 3.21Å; S85-E89 PolarHBondContact O-N 2.85Å
86S72.7Confident70Confident84 Ų8478.4 Ų78.459%0.58739%0.391SS*.Hα-helixtrans-55.4-21.1173.5-54.90000112.4L90S86-L90 WeakPolarHBondContact O-CD1 3.5Å; S86-L90 WeakPolarHBondContact O-CG 3.5Å; S86-L90 PolarHBondContact O-N 3.42Å
87D80.2Confident71.2Confident57 Ų5772.4 Ų72.431%0.30537%0.37SS..Hα-helixtrans-78.2-31.5176.1-702.1000112.8S85 R91 K147S85-D87 PolarHBondContact O-N 3.19Å; S85-D87 PolarHBondContact OG-N 3.07Å; D87-R91 WeakPolarHBondContact O-CB 3.49Å; D87-R91 PolarHBondContact O-N 2.93Å; D87-K147 WeakPolarHBondContact OD1-CE 3.4Å; D87-K147 IonicContact OD1-NZ 3.78Å; D87-K147 PolarHBondContact OD1-NZ 2.89Å; D87-K147 IonicContact OD2-NZ 2.68Å; D87-K147 PolarHBondContact OD2-NZ 3.39Å
88D77.3Confident72.7Confident37 Ų3767 Ų6720%0.19835%0.349CS..Hα-helixtrans-73.5-42.4178.3-60-44.9000111.1K84 S85 L90 R91 E92K84-D88 HydrophobicContact CB-CB 4.28Å; S85-D88 WeakPolarHBondContact CB-OD2 3.43Å; S85-D88 PolarHBondContact N-OD2 3.14Å; S85-D88 VanDerWaalsContact N-OD2 3.09Å; S85-D88 PolarHBondContact O-N 3.37Å; S85-D88 PolarHBondContact OG-N 3.15Å; S85-D88 PolarHBondContact OG-OD2 3.21Å; D88-L90 VanDerWaalsContact C-N 3.28Å; D88-L90 PolarHBondContact O-N 3.22Å; D88-R91 PolarHBondContact O-N 3.01Å; D88-R91 VanDerWaalsContact O-N 3.1Å; D88-R91 IonicContact OD1-NH2 3.69Å; D88-R91 PolarHBondContact OD1-NH2 2.9Å; D88-E92 PolarHBondContact O-N 3.47Å
89E80.2Confident74.2Confident85 Ų8571 Ų7140%0.39737%0.367SS..Hα-helixtrans-58.1-41.9172.2-68.3-177.9177.600111.7K84 S85 R91 A93 R154K84-E89 HydrophobicContact CB-CG 3.81Å; K84-E89 HydrophobicContact CD-CG 3.94Å; S85-E89 PolarHBondContact O-N 2.85Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 2.77Å; E89-A93 PolarHBondContact O-N 3.32Å; E89-A93 VanDerWaalsContact O-N 3.14Å; E89-R154 IonicContact OE2-NH2 3.12Å
90L86.8Confident75.9Confident7 Ų769.9 Ų69.94%0.03737%0.365CS..Hα-helixtrans-68-31.6178-72.5173.1000112S86 D88 F94 F143 F146 K147 M150S86-L90 WeakPolarHBondContact O-CD1 3.5Å; S86-L90 WeakPolarHBondContact O-CG 3.5Å; S86-L90 PolarHBondContact O-N 3.42Å; D88-L90 VanDerWaalsContact C-N 3.28Å; D88-L90 PolarHBondContact O-N 3.22Å; L90-F94 WeakPolarHBondContact O-CB 3.3Å; L90-F94 PolarHBondContact O-N 3Å; L90-F143 HydrophobicContact CB-CE2 4.25Å; L90-F143 HydrophobicContact CB-CZ 4.45Å; L90-F146 HydrophobicContact CD2-CE1 4.25Å; L90-F146 WeakPolarHBondContact O-CE1 3.16Å; L90-K147 HydrophobicContact CD1-CB 4.27Å; L90-K147 HydrophobicContact CD1-CG 3.84Å; L90-M150 HydrophobicContact CD2-CB 3.43Å; L90-M150 VanDerWaalsContact CD2-CB 3.43Å; L90-M150 HydrophobicContact CD2-CE 4.05Å; L90-M150 HydrophobicContact CD2-CG 3.61Å
91R87.3Confident77.6Confident109 Ų10968.4 Ų68.441%0.41137%0.369SS..Hα-helixtrans-74.2-38.9179.1-169.8129.248.984.613.3112.3D87 D88 E89 A93 F94 N95 F143D87-R91 WeakPolarHBondContact O-CB 3.49Å; D87-R91 PolarHBondContact O-N 2.93Å; D88-R91 PolarHBondContact O-N 3.01Å; D88-R91 VanDerWaalsContact O-N 3.1Å; D88-R91 IonicContact OD1-NH2 3.69Å; D88-R91 PolarHBondContact OD1-NH2 2.9Å; E89-R91 VanDerWaalsContact C-N 3.29Å; E89-R91 PolarHBondContact O-N 2.77Å; R91-A93 VanDerWaalsContact C-N 3.35Å; R91-F94 WeakPolarHBondContact O-CB 3.04Å; R91-F94 PolarHBondContact O-N 3.43Å; R91-N95 WeakPolarHBondContact O-CB 3.47Å; R91-N95 PolarHBondContact O-N 3.44Å; R91-N95 PolarHBondContact O-OD1 3.19Å; R91-F143 HydrophobicContact CB-CE2 3.78Å; R91-F143 HydrophobicContact CB-CZ 3.87Å; R91-F143 HydrophobicContact CG-CE2 4.26Å; R91-F143 HydrophobicContact CG-CZ 4.42Å
92E83.5Confident79.7Confident63 Ų6368.7 Ų68.729%0.29437%0.373SS..Hα-helixtrans-61.2-46.3170.5-72.6175.2-164.200111.1N80 K84 D88 F94 N95 V96N80-E92 PolarHBondContact OD1-OE1 3.1Å; K84-E92 VanDerWaalsContact CE-OE1 3.24Å; K84-E92 WeakPolarHBondContact CE-OE1 3.48Å; K84-E92 IonicContact NZ-OE1 3.76Å; K84-E92 PolarHBondContact NZ-OE1 3.45Å; K84-E92 IonicContact NZ-OE2 2.98Å; K84-E92 PolarHBondContact NZ-OE2 3.29Å; D88-E92 PolarHBondContact O-N 3.47Å; E92-F94 VanDerWaalsContact C-N 3.3Å; E92-F94 PolarHBondContact O-N 3.16Å; E92-N95 PolarHBondContact O-N 3.23Å; E92-V96 WeakPolarHBondContact O-CG2 3.34Å; E92-V96 PolarHBondContact O-N 2.88Å; E92-V96 VanDerWaalsContact O-N 3.14Å
93A87.3Confident81.8Confident35 Ų3566 Ų6629%0.28938%0.375SS..Hα-helixtrans-59.3-43.7175.800000111.5E89 R91 N95 V96 F97 F146E89-A93 PolarHBondContact O-N 3.32Å; E89-A93 VanDerWaalsContact O-N 3.14Å; R91-A93 VanDerWaalsContact C-N 3.35Å; A93-N95 PolarHBondContact O-N 2.82Å; A93-V96 WeakPolarHBondContact O-CB 3.26Å; A93-V96 PolarHBondContact O-N 3.4Å; A93-F97 VanDerWaalsContact O-CD2 3.25Å; A93-F97 WeakPolarHBondContact O-CD2 3.28Å; A93-F146 HydrophobicContact CB-CE1 4.12Å; A93-F146 HydrophobicContact CB-CZ 4.07Å
94F91.1Very high84Confident5 Ų561.6 Ų61.62%0.02235%0.346CS..Hα-helixtrans-58.4-47.7175.8-174.8-85.8000111.9L90 R91 E92 V96 F97 D98 S103 I105 F143 F146L90-F94 WeakPolarHBondContact O-CB 3.3Å; L90-F94 PolarHBondContact O-N 3Å; R91-F94 WeakPolarHBondContact O-CB 3.04Å; R91-F94 PolarHBondContact O-N 3.43Å; E92-F94 VanDerWaalsContact C-N 3.3Å; E92-F94 PolarHBondContact O-N 3.16Å; F94-V96 PolarHBondContact O-N 3.26Å; F94-F97 WeakPolarHBondContact O-CA 3.48Å; F94-F97 WeakPolarHBondContact O-CB 3.5Å; F94-F97 PolarHBondContact O-N 2.78Å; F94-D98 HydrophobicContact CD1-CB 4.1Å; F94-D98 HydrophobicContact CE1-CB 3.78Å; F94-D98 PolarHBondContact O-N 2.88Å; F94-S103 VanDerWaalsContact CZ-O 3.3Å; F94-S103 WeakPolarHBondContact CZ-O 3.29Å; F94-I105 HydrophobicContact CD2-CD1 3.33Å; F94-I105 HydrophobicContact CD2-CG1 4.08Å; F94-I105 HydrophobicContact CE1-CG1 4.3Å; F94-I105 HydrophobicContact CE2-CD1 3.35Å; F94-I105 HydrophobicContact CE2-CG1 3.66Å; F94-I105 HydrophobicContact CG-CD1 3.96Å; F94-I105 HydrophobicContact CZ-CD1 3.97Å; F94-I105 HydrophobicContact CZ-CG1 3.77Å; F94-F143 HydrophobicContact CB-CD2 3.93Å; F94-F143 HydrophobicContact CB-CE2 4.27Å; F94-F143 HydrophobicContact CD1-CD2 4.46Å; F94-F143 HydrophobicContact CD2-CB 4.35Å; F94-F143 AromaticContact CD2-CD2 3.95Å; F94-F143 HydrophobicContact CD2-CD2 3.95Å; F94-F143 HydrophobicContact CE2-CB 4.23Å; F94-F143 AromaticContact CG-CD2 3.85Å; F94-F143 HydrophobicContact CG-CD2 3.85Å; F94-F143 HydrophobicContact CZ-CB 4.43Å; F94-F146 HydrophobicContact CB-CD1 4.17Å; F94-F146 HydrophobicContact CB-CE1 4.25Å; F94-F146 HydrophobicContact CD2-CB 3.69Å; F94-F146 HydrophobicContact CD2-CD1 4.05Å; F94-F146 HydrophobicContact CD2-CD2 4.19Å; F94-F146 AromaticContact CD2-CG 3.73Å; F94-F146 HydrophobicContact CD2-CG 3.73Å; F94-F146 HydrophobicContact CE2-CB 4.08Å
95N89.3Confident86.2Confident96 Ų9658.1 Ų58.151%0.51333%0.331SS..Hα-helixtrans-67-15.9179.8-66.2-0.8000114R91 E92 A93R91-N95 WeakPolarHBondContact O-CB 3.47Å; R91-N95 PolarHBondContact O-N 3.44Å; R91-N95 PolarHBondContact O-OD1 3.19Å; E92-N95 PolarHBondContact O-N 3.23Å; A93-N95 PolarHBondContact O-N 2.82Å
96V89.1Confident87.5Confident85 Ų8558 Ų5852%0.51533%0.326SS..Hα-helixtrans-75.8-32.2170.81710000110.7E92 A93 F94 T113E92-V96 WeakPolarHBondContact O-CG2 3.34Å; E92-V96 PolarHBondContact O-N 2.88Å; E92-V96 VanDerWaalsContact O-N 3.14Å; A93-V96 WeakPolarHBondContact O-CB 3.26Å; A93-V96 PolarHBondContact O-N 3.4Å; F94-V96 PolarHBondContact O-N 3.26Å; V96-T113 HydrophobicContact CG1-CG2 4.01Å; V96-T113 PolarHBondContact O-OG1 3.35Å
97F90.5Very high88.6Confident44 Ų4456.9 Ų56.919%0.19331%0.311CS..Hα-helixtrans-82.2-45.3175.7-73.6-82.7000112A93 F94 Q99 I105 E109 T113 M114 F146A93-F97 VanDerWaalsContact O-CD2 3.25Å; A93-F97 WeakPolarHBondContact O-CD2 3.28Å; F94-F97 WeakPolarHBondContact O-CA 3.48Å; F94-F97 WeakPolarHBondContact O-CB 3.5Å; F94-F97 PolarHBondContact O-N 2.78Å; F97-Q99 WeakPolarHBondContact O-CG 3.49Å; F97-Q99 PolarHBondContact O-N 3.46Å; F97-I105 HydrophobicContact CB-CD1 3.44Å; F97-I105 VanDerWaalsContact CB-CD1 3.44Å; F97-I105 HydrophobicContact CB-CG1 3.7Å; F97-I105 HydrophobicContact CB-CG2 3.98Å; F97-I105 HydrophobicContact CG-CD1 4.19Å; F97-E109 WeakPolarHBondContact O-CB 3.38Å; F97-T113 HydrophobicContact CD1-CG2 3.55Å; F97-T113 HydrophobicContact CE1-CG2 3.7Å; F97-T113 HydrophobicContact CG-CG2 4.07Å; F97-T113 HydrophobicContact CZ-CG2 4.31Å; F97-M114 HydrophobicContact CE1-SD 4.45Å; F97-F146 HydrophobicContact CD2-CE2 4.12Å; F97-F146 HydrophobicContact CD2-CZ 4.37Å; F97-F146 HydrophobicContact CE2-CE2 4.29Å; F97-F146 HydrophobicContact CE2-CZ 4.44Å
98D92.3Very high89.3Confident14 Ų1456.7 Ų56.78%0.07531%0.314CS..  trans-7291177175.67.6000110F94 N100 G101 D102 S103 I105F94-D98 HydrophobicContact CD1-CB 4.1Å; F94-D98 HydrophobicContact CE1-CB 3.78Å; F94-D98 PolarHBondContact O-N 2.88Å; D98-N100 PolarHBondContact OD1-OD1 3.48Å; D98-G101 WeakPolarHBondContact OD1-CA 3.3Å; D98-G101 PolarHBondContact OD1-N 3.48Å; D98-D102 PolarHBondContact OD1-N 2.89Å; D98-S103 VanDerWaalsContact OD2-CA 3.26Å; D98-S103 WeakPolarHBondContact OD2-CA 3.11Å; D98-S103 PolarHBondContact OD2-N 2.92Å; D98-I105 HydrophobicContact CB-CG1 4.23Å
99Q87.3Confident90.1Very high97 Ų9755.2 Ų55.245%0.45331%0.306SS..SBendtrans-83.5-27.5-173.3-65-168.9-6.900112F97 E109 T113F97-Q99 WeakPolarHBondContact O-CG 3.49Å; F97-Q99 PolarHBondContact O-N 3.46Å; Q99-E109 PolarHBondContact N-OE1 3.43Å; Q99-T113 PolarHBondContact NE2-OG1 3Å
100N88.7Confident90.7Very high96 Ų9651.5 Ų51.551%0.51329%0.289SS..SBendtrans-91.2-15.3-17875.723.6000112.7D98 D102 E109D98-N100 PolarHBondContact OD1-OD1 3.48Å; N100-D102 PolarHBondContact ND2-OD2 3.39Å; N100-D102 VanDerWaalsContact ND2-OD2 3.16Å; N100-D102 WeakPolarHBondContact OD1-CB 3.24Å; N100-D102 PolarHBondContact OD1-N 2.85Å; N100-D102 PolarHBondContact OD1-OD1 3.14Å; N100-D102 PolarHBondContact OD1-OD2 3.16Å; N100-E109 PolarHBondContact N-OE1 3.48Å
101G87.6Confident90.9Very high53 Ų5354.1 Ų54.155%0.54630%0.3SS..  trans79.319.217900000114.8D98 S103D98-G101 WeakPolarHBondContact OD1-CA 3.3Å; D98-G101 PolarHBondContact OD1-N 3.48Å; G101-S103 PolarHBondContact O-N 3.32Å
102D91.4Very high91.1Very high81 Ų8153.5 Ų53.543%0.43330%0.302SS..SBendtrans-80.92.2-178.6746.2000113.5D98 N100 V104D98-D102 PolarHBondContact OD1-N 2.89Å; N100-D102 PolarHBondContact ND2-OD2 3.39Å; N100-D102 VanDerWaalsContact ND2-OD2 3.16Å; N100-D102 WeakPolarHBondContact OD1-CB 3.24Å; N100-D102 PolarHBondContact OD1-N 2.85Å; N100-D102 PolarHBondContact OD1-OD1 3.14Å; N100-D102 PolarHBondContact OD1-OD2 3.16Å; D102-V104 PolarHBondContact O-N 2.84Å; D102-V104 WeakPolarHBondContact OD1-CG2 3.27Å; D102-V104 PolarHBondContact OD1-N 3.06Å; D102-V104 VanDerWaalsContact OD1-O 3.13Å
103S91.3Very high91.5Very high81 Ų8150.6 Ų50.657%0.56629%0.288SS*.SBendtrans68.814.2179.1-50.60000115F94 D98 G101F94-S103 VanDerWaalsContact CZ-O 3.3Å; F94-S103 WeakPolarHBondContact CZ-O 3.29Å; D98-S103 VanDerWaalsContact OD2-CA 3.26Å; D98-S103 WeakPolarHBondContact OD2-CA 3.11Å; D98-S103 PolarHBondContact OD2-N 2.92Å; G101-S103 PolarHBondContact O-N 3.32Å
104V94.7Very high91.6Very high38 Ų3850.6 Ų50.623%0.2328%0.283CS..EExtended strand (participates in β ladder)trans-122.8162.7165.5-62.40000109.5D102 I141D102-V104 PolarHBondContact O-N 2.84Å; D102-V104 WeakPolarHBondContact OD1-CG2 3.27Å; D102-V104 PolarHBondContact OD1-N 3.06Å; D102-V104 VanDerWaalsContact OD1-O 3.13Å; V104-I141 CarbonylContact C-O 3.58Å; V104-I141 WeakPolarHBondContact CA-O 3.22Å
105I94.7Very high91.5Very high2 Ų255.2 Ų55.21%0.0130%0.304CS..EExtended strand (participates in β ladder)trans-115.6115.3172-65.7162.3000107.6F94 F97 D98 E109 I110 S140 I141 F146F94-I105 HydrophobicContact CD2-CD1 3.33Å; F94-I105 HydrophobicContact CD2-CG1 4.08Å; F94-I105 HydrophobicContact CE1-CG1 4.3Å; F94-I105 HydrophobicContact CE2-CD1 3.35Å; F94-I105 HydrophobicContact CE2-CG1 3.66Å; F94-I105 HydrophobicContact CG-CD1 3.96Å; F94-I105 HydrophobicContact CZ-CD1 3.97Å; F94-I105 HydrophobicContact CZ-CG1 3.77Å; F97-I105 HydrophobicContact CB-CD1 3.44Å; F97-I105 VanDerWaalsContact CB-CD1 3.44Å; F97-I105 HydrophobicContact CB-CG1 3.7Å; F97-I105 HydrophobicContact CB-CG2 3.98Å; F97-I105 HydrophobicContact CG-CD1 4.19Å; D98-I105 HydrophobicContact CB-CG1 4.23Å; I105-E109 WeakPolarHBondContact CA-OE2 3.12Å; I105-E109 HydrophobicContact CG2-CB 4.32Å; I105-I110 HydrophobicContact CG2-CD1 4.08Å; I105-I110 HydrophobicContact CG2-CG1 3.42Å; I105-I110 VanDerWaalsContact CG2-CG1 3.42Å; I105-S140 WeakPolarHBondContact O-CA 3.12Å; I105-I141 HydrophobicContact CB-CB 4.28Å; I105-I141 PolarHBondContact N-O 3.22Å; I105-I141 PolarHBondContact O-N 3.07Å; I105-F146 HydrophobicContact CD1-CD2 3.89Å; I105-F146 HydrophobicContact CD1-CE2 4.22Å
106D94.6Very high91.3Very high49 Ų4958.9 Ų58.926%0.26232%0.316SS..  trans-94.1175.6178.281.725.9000113.4S108 E109 I110D106-S108 VanDerWaalsContact C-N 3.31Å; D106-S108 PolarHBondContact O-N 3.38Å; D106-S108 VanDerWaalsContact OD1-CA 3.28Å; D106-S108 WeakPolarHBondContact OD1-CA 3.2Å; D106-S108 WeakPolarHBondContact OD1-CB 3.14Å; D106-S108 PolarHBondContact OD1-N 3.48Å; D106-E109 PolarHBondContact N-OE2 3.48Å; D106-E109 PolarHBondContact O-N 2.94Å; D106-E109 PolarHBondContact OD1-N 3Å; D106-I110 WeakPolarHBondContact O-CG1 3.21Å; D106-I110 PolarHBondContact O-N 2.77Å; D106-I110 VanDerWaalsContact O-N 3.09Å
107F95.2Very high91.2Very high60 Ų6059.6 Ų59.626%0.26332%0.316SS..Hα-helixtrans-57-41.3177.8177.1-84.3000114K111 D123 V126 R127 I130F107-K111 HydrophobicContact CE1-CD 4.25Å; F107-K111 WeakPolarHBondContact O-CB 3.47Å; F107-K111 PolarHBondContact O-N 2.97Å; F107-D123 HydrophobicContact CE2-CB 4.39Å; F107-D123 WeakPolarHBondContact CE2-O 3.27Å; F107-D123 HydrophobicContact CZ-CB 3.83Å; F107-V126 HydrophobicContact CD2-CB 3.98Å; F107-V126 HydrophobicContact CD2-CG1 3.35Å; F107-V126 HydrophobicContact CE2-CB 3.59Å; F107-V126 HydrophobicContact CE2-CG1 3.51Å; F107-V126 HydrophobicContact CG-CG1 4Å; F107-V126 HydrophobicContact CZ-CB 4.25Å; F107-V126 HydrophobicContact CZ-CG1 4.28Å; F107-R127 HydrophobicContact CD2-CG 4.23Å; F107-R127 HydrophobicContact CE2-CG 3.9Å; F107-I130 HydrophobicContact CB-CD1 3.74Å; F107-I130 HydrophobicContact CD2-CD1 3.99Å; F107-I130 HydrophobicContact CG-CD1 4.37Å
108S94.3Very high91Very high53 Ų5360.7 Ų60.737%0.37134%0.34SS..Hα-helixtrans-66.7-43.2-179.4-170.50000110.2D106 K111 Q112D106-S108 VanDerWaalsContact C-N 3.31Å; D106-S108 PolarHBondContact O-N 3.38Å; D106-S108 VanDerWaalsContact OD1-CA 3.28Å; D106-S108 WeakPolarHBondContact OD1-CA 3.2Å; D106-S108 WeakPolarHBondContact OD1-CB 3.14Å; D106-S108 PolarHBondContact OD1-N 3.48Å; S108-K111 PolarHBondContact O-N 2.78Å; S108-Q112 WeakPolarHBondContact O-CB 3.33Å; S108-Q112 VanDerWaalsContact O-CG 3.24Å; S108-Q112 WeakPolarHBondContact O-CG 3.23Å; S108-Q112 PolarHBondContact O-N 3.36Å; S108-Q112 PolarHBondContact OG-NE2 3.29Å
109E94.3Very high90.8Very high6 Ų665.6 Ų65.63%0.02836%0.362CS..Hα-helixtrans-65.1-42.6-179.6-76.2179.8138.200113.1F97 Q99 N100 I105 D106 K111 T113F97-E109 WeakPolarHBondContact O-CB 3.38Å; Q99-E109 PolarHBondContact N-OE1 3.43Å; N100-E109 PolarHBondContact N-OE1 3.48Å; I105-E109 WeakPolarHBondContact CA-OE2 3.12Å; I105-E109 HydrophobicContact CG2-CB 4.32Å; D106-E109 PolarHBondContact N-OE2 3.48Å; D106-E109 PolarHBondContact O-N 2.94Å; D106-E109 PolarHBondContact OD1-N 3Å; E109-K111 VanDerWaalsContact C-N 3.33Å; E109-K111 PolarHBondContact O-N 3.48Å; E109-T113 WeakPolarHBondContact O-CB 3.47Å; E109-T113 PolarHBondContact O-N 2.8Å; E109-T113 PolarHBondContact O-OG1 3.43Å
110I92.8Very high90.8Very high7 Ų765 Ų654%0.03637%0.374CS..Hα-helixtrans-59.5-49.1172.3-63.4171.7000109.8I105 D106 T113 M114 V126 M129 I130 I141I105-I110 HydrophobicContact CG2-CD1 4.08Å; I105-I110 HydrophobicContact CG2-CG1 3.42Å; I105-I110 VanDerWaalsContact CG2-CG1 3.42Å; D106-I110 WeakPolarHBondContact O-CG1 3.21Å; D106-I110 PolarHBondContact O-N 2.77Å; D106-I110 VanDerWaalsContact O-N 3.09Å; I110-T113 PolarHBondContact O-N 3.27Å; I110-M114 HydrophobicContact CG2-CG 4.14Å; I110-M114 WeakPolarHBondContact O-CB 3.41Å; I110-M114 WeakPolarHBondContact O-CG 3.14Å; I110-M114 PolarHBondContact O-N 3.26Å; I110-V126 HydrophobicContact CB-CG1 3.84Å; I110-V126 HydrophobicContact CD1-CG1 4.2Å; I110-V126 HydrophobicContact CG2-CB 4.48Å; I110-V126 HydrophobicContact CG2-CG1 3.82Å; I110-V126 HydrophobicContact CG2-CG2 4.09Å; I110-M129 HydrophobicContact CG2-SD 4.24Å; I110-I130 HydrophobicContact CD1-CD1 4.07Å; I110-I130 HydrophobicContact CD1-CG1 3.52Å; I110-I141 HydrophobicContact CD1-CD1 3.92Å
111K92.6Very high90.9Very high63 Ų6361.2 Ų61.227%0.27435%0.354SS..Hα-helixtrans-63.5-46.3-176.2-173.9169.8-177.8176.20111.6F107 S108 E109 H115 V121 D123 V126F107-K111 HydrophobicContact CE1-CD 4.25Å; F107-K111 WeakPolarHBondContact O-CB 3.47Å; F107-K111 PolarHBondContact O-N 2.97Å; S108-K111 PolarHBondContact O-N 2.78Å; E109-K111 VanDerWaalsContact C-N 3.33Å; E109-K111 PolarHBondContact O-N 3.48Å; K111-H115 WeakPolarHBondContact O-CB 3.48Å; K111-H115 PolarHBondContact O-CD2 2.72Å; K111-H115 PolarHBondContact O-N 3.32Å; K111-V121 HydrophobicContact CG-CG2 4.46Å; K111-D123 IonicContact NZ-OD1 2.76Å; K111-D123 PolarHBondContact NZ-OD1 2.96Å; K111-V126 HydrophobicContact CB-CG2 4.42Å
112Q91.1Very high91.2Very high96 Ų9662.4 Ų62.445%0.44935%0.351SS..Hα-helixtrans-62.8-44.7178.4-72.8-178.743.100111.3S108 H115 F116S108-Q112 WeakPolarHBondContact O-CB 3.33Å; S108-Q112 VanDerWaalsContact O-CG 3.24Å; S108-Q112 WeakPolarHBondContact O-CG 3.23Å; S108-Q112 PolarHBondContact O-N 3.36Å; S108-Q112 PolarHBondContact OG-NE2 3.29Å; Q112-H115 PolarHBondContact O-N 3.4Å; Q112-F116 WeakPolarHBondContact O-CB 3.35Å; Q112-F116 PolarHBondContact O-N 3.21Å
113T90.7Very high91.3Very high2 Ų261.6 Ų61.61%0.01235%0.347CS..Hα-helixtrans-66.3-43.4179.9-570000111.6V96 F97 Q99 E109 I110 H115 F116 L117V96-T113 HydrophobicContact CG1-CG2 4.01Å; V96-T113 PolarHBondContact O-OG1 3.35Å; F97-T113 HydrophobicContact CD1-CG2 3.55Å; F97-T113 HydrophobicContact CE1-CG2 3.7Å; F97-T113 HydrophobicContact CG-CG2 4.07Å; F97-T113 HydrophobicContact CZ-CG2 4.31Å; Q99-T113 PolarHBondContact NE2-OG1 3Å; E109-T113 WeakPolarHBondContact O-CB 3.47Å; E109-T113 PolarHBondContact O-N 2.8Å; E109-T113 PolarHBondContact O-OG1 3.43Å; I110-T113 PolarHBondContact O-N 3.27Å; T113-H115 PolarHBondContact O-N 3.39Å; T113-F116 WeakPolarHBondContact O-CB 3.43Å; T113-F116 PolarHBondContact O-N 3.28Å; T113-L117 HydrophobicContact CG2-CD1 4.34Å; T113-L117 VanDerWaalsContact O-CG 3.32Å; T113-L117 WeakPolarHBondContact O-CG 3.14Å; T113-L117 PolarHBondContact O-N 3.1Å
114M90.8Very high91.5Very high35 Ų3563 Ų6317%0.17235%0.348CS..Hα-helixtrans-63.9-42.1176.9-69.4-64.7-77.400112F97 I110 F116 L117 G118 E119 V121F97-M114 HydrophobicContact CE1-SD 4.45Å; I110-M114 HydrophobicContact CG2-CG 4.14Å; I110-M114 WeakPolarHBondContact O-CB 3.41Å; I110-M114 WeakPolarHBondContact O-CG 3.14Å; I110-M114 PolarHBondContact O-N 3.26Å; M114-F116 VanDerWaalsContact C-N 3.33Å; M114-F116 PolarHBondContact O-N 3.16Å; M114-L117 CarbonylContact O-C 3.58Å; M114-L117 PolarHBondContact O-N 3.28Å; M114-G118 PolarHBondContact O-N 3.49Å; M114-E119 CarbonylContact C-O 3.3Å; M114-E119 VanDerWaalsContact C-O 3.3Å; M114-E119 HydrophobicContact CE-CB 3.9Å; M114-E119 HydrophobicContact CE-CG 4.35Å; M114-E119 PolarHBondContact O-N 3.45Å; M114-E119 VanDerWaalsContact O-O 3.08Å; M114-V121 HydrophobicContact CB-CB 4.36Å; M114-V121 HydrophobicContact CB-CG1 3.8Å; M114-V121 HydrophobicContact CB-CG2 3.57Å; M114-V121 HydrophobicContact CE-CG1 3.48Å; M114-V121 VanDerWaalsContact CE-CG1 3.48Å; M114-V121 HydrophobicContact CG-CG1 3.93Å; M114-V121 HydrophobicContact CG-CG2 4.13Å
115H88.5Confident91.3Very high101 Ų10165.8 Ų65.847%0.46836%0.358SS..Hα-helixtrans-62-39.8172.9-85.2-64.2000112.5K111 Q112 T113 L117 G118K111-H115 WeakPolarHBondContact O-CB 3.48Å; K111-H115 PolarHBondContact O-CD2 2.72Å; K111-H115 PolarHBondContact O-N 3.32Å; Q112-H115 PolarHBondContact O-N 3.4Å; T113-H115 PolarHBondContact O-N 3.39Å; H115-L117 VanDerWaalsContact C-N 3.28Å; H115-L117 PolarHBondContact O-N 2.88Å; H115-G118 PolarHBondContact O-N 3.15Å
116F85.8Confident91.2Very high174 Ų17465.7 Ų65.776%0.76336%0.358SS*.Hα-helixtrans-62.9-35.5175.2-177.1-96.4000112Q112 T113 M114 G118Q112-F116 WeakPolarHBondContact O-CB 3.35Å; Q112-F116 PolarHBondContact O-N 3.21Å; T113-F116 WeakPolarHBondContact O-CB 3.43Å; T113-F116 PolarHBondContact O-N 3.28Å; M114-F116 VanDerWaalsContact C-N 3.33Å; M114-F116 PolarHBondContact O-N 3.16Å; F116-G118 PolarHBondContact O-N 2.93Å
117L86.1Confident91.1Very high100 Ų10069.9 Ų69.952%0.52437%0.37SS..THydrogen-bonded Turntrans-74.8-1.2173.7-65.2174000113.7T113 M114 H115 E119T113-L117 HydrophobicContact CG2-CD1 4.34Å; T113-L117 VanDerWaalsContact O-CG 3.32Å; T113-L117 WeakPolarHBondContact O-CG 3.14Å; T113-L117 PolarHBondContact O-N 3.1Å; M114-L117 CarbonylContact O-C 3.58Å; M114-L117 PolarHBondContact O-N 3.28Å; H115-L117 VanDerWaalsContact C-N 3.28Å; H115-L117 PolarHBondContact O-N 2.88Å; L117-E119 VanDerWaalsContact C-N 3.3Å
118G87.1Confident90.9Very high66 Ų6671 Ų7168%0.6838%0.376SS*.THydrogen-bonded Turntrans80.86.9-179.100000114.4M114 H115 F116M114-G118 PolarHBondContact O-N 3.49Å; H115-G118 PolarHBondContact O-N 3.15Å; F116-G118 PolarHBondContact O-N 2.93Å
119E87.4Confident90.7Very high117 Ų11771.9 Ų71.955%0.54738%0.375SS..  trans-91.8121.5177.6-67.4-66.2162.100109.9M114 L117 V121M114-E119 CarbonylContact C-O 3.3Å; M114-E119 VanDerWaalsContact C-O 3.3Å; M114-E119 HydrophobicContact CE-CB 3.9Å; M114-E119 HydrophobicContact CE-CG 4.35Å; M114-E119 PolarHBondContact O-N 3.45Å; M114-E119 VanDerWaalsContact O-O 3.08Å; L117-E119 VanDerWaalsContact C-N 3.3Å; E119-V121 PolarHBondContact O-N 3.39Å
120A87.8Confident90.6Very high86 Ų8672.3 Ų72.371%0.71138%0.377SS*.  trans-80.8108.8173.700000109.1
121V90Very high90.5Very high16 Ų1679.5 Ų79.510%0.09741%0.408CS..  trans-108.3139174.8-66.50000111K111 M114 E119 V126 M129K111-V121 HydrophobicContact CG-CG2 4.46Å; M114-V121 HydrophobicContact CB-CB 4.36Å; M114-V121 HydrophobicContact CB-CG1 3.8Å; M114-V121 HydrophobicContact CB-CG2 3.57Å; M114-V121 HydrophobicContact CE-CG1 3.48Å; M114-V121 VanDerWaalsContact CE-CG1 3.48Å; M114-V121 HydrophobicContact CG-CG1 3.93Å; M114-V121 HydrophobicContact CG-CG2 4.13Å; E119-V121 PolarHBondContact O-N 3.39Å; V121-V126 HydrophobicContact CB-CG2 4.07Å; V121-V126 HydrophobicContact CG2-CG2 3.7Å; V121-M129 HydrophobicContact CG1-CE 4.27Å
122T93.5Very high90.4Very high77 Ų7782.1 Ų82.147%0.47242%0.422SS..  trans-84.9157173.461.80000111.2D124 E125 V126T122-D124 PolarHBondContact O-N 2.95Å; T122-E125 WeakPolarHBondContact CB-OE2 3.34Å; T122-E125 PolarHBondContact N-OE2 3.01Å; T122-E125 PolarHBondContact O-N 2.93Å; T122-E125 VanDerWaalsContact O-N 3.12Å; T122-E125 VanDerWaalsContact OG1-CD 3.27Å; T122-E125 VanDerWaalsContact OG1-CG 3.24Å; T122-E125 WeakPolarHBondContact OG1-CG 3.25Å; T122-E125 PolarHBondContact OG1-N 3.41Å; T122-E125 PolarHBondContact OG1-OE2 3.18Å; T122-V126 PolarHBondContact O-N 3.13Å
123D94.3Very high90.4Very high64 Ų6477.7 Ų77.734%0.34240%0.402SS..Hα-helixtrans-58-33.8177.2-69.71.4000112.2F107 K111 R127F107-D123 HydrophobicContact CE2-CB 4.39Å; F107-D123 WeakPolarHBondContact CE2-O 3.27Å; F107-D123 HydrophobicContact CZ-CB 3.83Å; K111-D123 IonicContact NZ-OD1 2.76Å; K111-D123 PolarHBondContact NZ-OD1 2.96Å; D123-R127 WeakPolarHBondContact O-CB 3.45Å; D123-R127 VanDerWaalsContact O-CG 3.28Å; D123-R127 WeakPolarHBondContact O-CG 3.38Å; D123-R127 PolarHBondContact O-N 2.97Å
124D94.2Very high90.5Very high112 Ų11278.4 Ų78.460%0.59941%0.405SS*.Hα-helixtrans-73.4-34.9178.9-67.6-31.2000112.2T122 R127 Q128T122-D124 PolarHBondContact O-N 2.95Å; D124-R127 IonicContact OD1-NH1 2.7Å; D124-R127 PolarHBondContact OD1-NH1 2.87Å; D124-R127 VanDerWaalsContact OD1-NH1 3.12Å; D124-Q128 VanDerWaalsContact O-CB 3.3Å; D124-Q128 WeakPolarHBondContact O-CB 3.44Å; D124-Q128 PolarHBondContact O-N 2.95Å
125E91.5Very high90.6Very high95 Ų9581.5 Ų81.544%0.44442%0.422SS..Hα-helixtrans-65.1-44.7172.3-75.1165.2142.200111.3T122 Q128 M129T122-E125 WeakPolarHBondContact CB-OE2 3.34Å; T122-E125 PolarHBondContact N-OE2 3.01Å; T122-E125 PolarHBondContact O-N 2.93Å; T122-E125 VanDerWaalsContact O-N 3.12Å; T122-E125 VanDerWaalsContact OG1-CD 3.27Å; T122-E125 VanDerWaalsContact OG1-CG 3.24Å; T122-E125 WeakPolarHBondContact OG1-CG 3.25Å; T122-E125 PolarHBondContact OG1-N 3.41Å; T122-E125 PolarHBondContact OG1-OE2 3.18Å; E125-Q128 PolarHBondContact O-N 3.49Å; E125-M129 HydrophobicContact CB-CE 4.35Å; E125-M129 WeakPolarHBondContact O-CG 3.3Å; E125-M129 PolarHBondContact O-N 3.43Å
126V92.7Very high90.8Very high0 Ų080.8 Ų80.80%042%0.422CS..Hα-helixtrans-63.5-45177.2178.40000110.9F107 I110 K111 V121 T122 Q128 M129 I130F107-V126 HydrophobicContact CD2-CB 3.98Å; F107-V126 HydrophobicContact CD2-CG1 3.35Å; F107-V126 HydrophobicContact CE2-CB 3.59Å; F107-V126 HydrophobicContact CE2-CG1 3.51Å; F107-V126 HydrophobicContact CG-CG1 4Å; F107-V126 HydrophobicContact CZ-CB 4.25Å; F107-V126 HydrophobicContact CZ-CG1 4.28Å; I110-V126 HydrophobicContact CB-CG1 3.84Å; I110-V126 HydrophobicContact CD1-CG1 4.2Å; I110-V126 HydrophobicContact CG2-CB 4.48Å; I110-V126 HydrophobicContact CG2-CG1 3.82Å; I110-V126 HydrophobicContact CG2-CG2 4.09Å; K111-V126 HydrophobicContact CB-CG2 4.42Å; V121-V126 HydrophobicContact CB-CG2 4.07Å; V121-V126 HydrophobicContact CG2-CG2 3.7Å; T122-V126 PolarHBondContact O-N 3.13Å; V126-Q128 VanDerWaalsContact C-N 3.25Å; V126-Q128 PolarHBondContact O-N 3.37Å; V126-M129 WeakPolarHBondContact O-CB 3.39Å; V126-M129 PolarHBondContact O-N 3.28Å; V126-I130 HydrophobicContact CG1-CD1 4.19Å; V126-I130 WeakPolarHBondContact O-CG1 3.24Å; V126-I130 PolarHBondContact O-N 2.92Å
127R93Very high91Very high137 Ų13781 Ų8152%0.51742%0.422SS..Hα-helixtrans-58.7-38.7174.2-77.3174.1-173.1139.54.1112.2F107 D123 D124 K131F107-R127 HydrophobicContact CD2-CG 4.23Å; F107-R127 HydrophobicContact CE2-CG 3.9Å; D123-R127 WeakPolarHBondContact O-CB 3.45Å; D123-R127 VanDerWaalsContact O-CG 3.28Å; D123-R127 WeakPolarHBondContact O-CG 3.38Å; D123-R127 PolarHBondContact O-N 2.97Å; D124-R127 IonicContact OD1-NH1 2.7Å; D124-R127 PolarHBondContact OD1-NH1 2.87Å; D124-R127 VanDerWaalsContact OD1-NH1 3.12Å; R127-K131 VanDerWaalsContact O-CB 3.23Å; R127-K131 WeakPolarHBondContact O-CB 3.47Å; R127-K131 PolarHBondContact O-N 2.98Å
128Q91Very high91.4Very high85 Ų8580.3 Ų80.340%0.39742%0.419SS..Hα-helixtrans-68.9-39.3178.2-174.558.231.500111.4D124 E125 V126 K131 E132D124-Q128 VanDerWaalsContact O-CB 3.3Å; D124-Q128 WeakPolarHBondContact O-CB 3.44Å; D124-Q128 PolarHBondContact O-N 2.95Å; E125-Q128 PolarHBondContact O-N 3.49Å; V126-Q128 VanDerWaalsContact C-N 3.25Å; V126-Q128 PolarHBondContact O-N 3.37Å; Q128-K131 PolarHBondContact O-N 3.37Å; Q128-E132 PolarHBondContact NE2-OE1 3.29Å; Q128-E132 WeakPolarHBondContact O-CG 3.44Å; Q128-E132 PolarHBondContact O-N 3.41Å; Q128-E132 VanDerWaalsContact O-N 3.09Å
129M89.2Confident91.5Very high70 Ų7079.1 Ų79.135%0.34541%0.407SS..Hα-helixtrans-60.3-49173.5-69179.8-150.600111.6I110 V121 E125 V126 K131 E132 A133I110-M129 HydrophobicContact CG2-SD 4.24Å; V121-M129 HydrophobicContact CG1-CE 4.27Å; E125-M129 HydrophobicContact CB-CE 4.35Å; E125-M129 WeakPolarHBondContact O-CG 3.3Å; E125-M129 PolarHBondContact O-N 3.43Å; V126-M129 WeakPolarHBondContact O-CB 3.39Å; V126-M129 PolarHBondContact O-N 3.28Å; M129-K131 PolarHBondContact O-N 2.82Å; M129-E132 PolarHBondContact O-N 3.01Å; M129-A133 PolarHBondContact O-N 3.18Å; M129-A133 VanDerWaalsContact O-N 3.14Å
130I92.9Very high91.9Very high15 Ų1574.8 Ų74.88%0.07739%0.39CS..Hα-helixtrans-59.9-49.6177.6-63.3170.3000109.8F107 I110 V126 E132 A133 D134 I141F107-I130 HydrophobicContact CB-CD1 3.74Å; F107-I130 HydrophobicContact CD2-CD1 3.99Å; F107-I130 HydrophobicContact CG-CD1 4.37Å; I110-I130 HydrophobicContact CD1-CD1 4.07Å; I110-I130 HydrophobicContact CD1-CG1 3.52Å; V126-I130 HydrophobicContact CG1-CD1 4.19Å; V126-I130 WeakPolarHBondContact O-CG1 3.24Å; V126-I130 PolarHBondContact O-N 2.92Å; I130-E132 PolarHBondContact O-N 3.16Å; I130-E132 VanDerWaalsContact O-N 3.1Å; I130-A133 PolarHBondContact O-N 2.87Å; I130-D134 HydrophobicContact CG2-CB 3.91Å; I130-D134 WeakPolarHBondContact O-CB 3.48Å; I130-D134 PolarHBondContact O-N 2.9Å; I130-I141 HydrophobicContact CG1-CD1 4.33Å
131K90.9Very high92.2Very high158 Ų15871 Ų7169%0.68736%0.357SS*.Hα-helixtrans-58.1-28.9-179.7-176.8-179.3175.8-173.50113.8R127 Q128 M129R127-K131 VanDerWaalsContact O-CB 3.23Å; R127-K131 WeakPolarHBondContact O-CB 3.47Å; R127-K131 PolarHBondContact O-N 2.98Å; Q128-K131 PolarHBondContact O-N 3.37Å; M129-K131 PolarHBondContact O-N 2.82Å
132E89.3Confident92.4Very high119 Ų11971.7 Ų71.756%0.55636%0.36SS*.Hα-helixtrans-82.1-26.7177.1-74.8-178.3-160.200113.3Q128 M129 I130Q128-E132 PolarHBondContact NE2-OE1 3.29Å; Q128-E132 WeakPolarHBondContact O-CG 3.44Å; Q128-E132 PolarHBondContact O-N 3.41Å; Q128-E132 VanDerWaalsContact O-N 3.09Å; M129-E132 PolarHBondContact O-N 3.01Å; I130-E132 PolarHBondContact O-N 3.16Å; I130-E132 VanDerWaalsContact O-N 3.1Å
133A91.6Very high92.4Very high3 Ų370.7 Ų70.73%0.02535%0.349CS..Hα-helixtrans-97.3-42.5-175.800000113.3M129 I130 L135 I141 E145 M149M129-A133 PolarHBondContact O-N 3.18Å; M129-A133 VanDerWaalsContact O-N 3.14Å; I130-A133 PolarHBondContact O-N 2.87Å; A133-L135 WeakPolarHBondContact O-CG 3.38Å; A133-L135 PolarHBondContact O-N 3.27Å; A133-L135 VanDerWaalsContact O-N 3.13Å; A133-I141 HydrophobicContact CB-CD1 3.6Å; A133-I141 HydrophobicContact CB-CG1 3.87Å; A133-I141 HydrophobicContact CB-CG2 4.08Å; A133-E145 WeakPolarHBondContact O-CB 3.44Å; A133-M149 HydrophobicContact CB-CB 4.27Å; A133-M149 HydrophobicContact CB-CG 4.38Å; A133-M149 HydrophobicContact CB-SD 3.81Å
134D93.5Very high92.3Very high16 Ų1674.6 Ų74.69%0.08636%0.359CS..  trans-70.997.1-178.8179.26.9000110.2I130 K137 N138 G139I130-D134 HydrophobicContact CG2-CB 3.91Å; I130-D134 WeakPolarHBondContact O-CB 3.48Å; I130-D134 PolarHBondContact O-N 2.9Å; D134-K137 VanDerWaalsContact CG-CA 3.45Å; D134-K137 WeakPolarHBondContact OD1-CA 3.49Å; D134-K137 PolarHBondContact OD1-N 2.88Å; D134-K137 WeakPolarHBondContact OD2-CA 3.36Å; D134-N138 PolarHBondContact OD1-N 2.97Å; D134-N138 PolarHBondContact OD2-N 2.96Å; D134-G139 WeakPolarHBondContact OD2-CA 3.39Å; D134-G139 PolarHBondContact OD2-N 3.1Å
135L91.4Very high92.3Very high101 Ų10169.2 Ų69.253%0.52933%0.331SS..SBendtrans-83.6-31.8-174.7-65.6179.3000111.5A133 E145 M148A133-L135 WeakPolarHBondContact O-CG 3.38Å; A133-L135 PolarHBondContact O-N 3.27Å; A133-L135 VanDerWaalsContact O-N 3.13Å; L135-E145 HydrophobicContact CB-CG 4.33Å; L135-E145 HydrophobicContact CD1-CG 4.48Å; L135-E145 HydrophobicContact CG-CG 4.3Å; L135-E145 PolarHBondContact N-OE1 3.05Å; L135-M148 HydrophobicContact CD1-CE 3.71Å; L135-M148 HydrophobicContact CD1-SD 3.55Å; L135-M148 VanDerWaalsContact CD1-SD 3.55Å
136D92.8Very high92.3Very high86 Ų8665.2 Ų65.246%0.4631%0.312SS..SBendtrans-89.6-12.117977.712.3000113.7N138 E145D136-N138 WeakPolarHBondContact OD1-CB 3.36Å; D136-N138 PolarHBondContact OD1-N 2.68Å; D136-N138 PolarHBondContact OD1-ND2 2.8Å; D136-N138 PolarHBondContact OD2-ND2 2.92Å; D136-E145 PolarHBondContact N-OE1 3.19Å
137K91Very high92.2Very high178 Ų17867.1 Ų67.177%0.77432%0.32SS*.  trans68.333177.5-55.4180-178.3174.30113.7D134 G139D134-K137 VanDerWaalsContact CG-CA 3.45Å; D134-K137 WeakPolarHBondContact OD1-CA 3.49Å; D134-K137 PolarHBondContact OD1-N 2.88Å; D134-K137 WeakPolarHBondContact OD2-CA 3.36Å; K137-G139 VanDerWaalsContact C-N 3.26Å
138N93.3Very high91.9Very high86 Ų8665.5 Ų65.546%0.4632%0.32SS..SBendtrans-78.3-10.717772.536.3000113.3D134 D136 S140D134-N138 PolarHBondContact OD1-N 2.97Å; D134-N138 PolarHBondContact OD2-N 2.96Å; D136-N138 WeakPolarHBondContact OD1-CB 3.36Å; D136-N138 PolarHBondContact OD1-N 2.68Å; D136-N138 PolarHBondContact OD1-ND2 2.8Å; D136-N138 PolarHBondContact OD2-ND2 2.92Å; N138-S140 WeakPolarHBondContact OD1-CA 3.41Å; N138-S140 PolarHBondContact OD1-N 2.89Å; N138-S140 PolarHBondContact OD1-O 2.9Å
139G90.9Very high91.7Very high41 Ų4163.7 Ų63.742%0.42331%0.312SS..SBendtrans96.8-3.8178.600000114.9D134 K137D134-G139 WeakPolarHBondContact OD2-CA 3.39Å; D134-G139 PolarHBondContact OD2-N 3.1Å; K137-G139 VanDerWaalsContact C-N 3.26Å
140S94.1Very high91.6Very high26 Ų2662.6 Ų62.618%0.18231%0.306CS..SBendtrans-132162.2177.9-58.30000110I105 N138I105-S140 WeakPolarHBondContact O-CA 3.12Å; N138-S140 WeakPolarHBondContact OD1-CA 3.41Å; N138-S140 PolarHBondContact OD1-N 2.89Å; N138-S140 PolarHBondContact OD1-O 2.9Å
141I94.8Very high91.1Very high6 Ų667.6 Ų67.63%0.03133%0.328CS..EExtended strand (participates in β ladder)trans-105.4115.5-179-55.2170.1000108.9V104 I105 I110 I130 A133 E145 F146V104-I141 CarbonylContact C-O 3.58Å; V104-I141 WeakPolarHBondContact CA-O 3.22Å; I105-I141 HydrophobicContact CB-CB 4.28Å; I105-I141 PolarHBondContact N-O 3.22Å; I105-I141 PolarHBondContact O-N 3.07Å; I110-I141 HydrophobicContact CD1-CD1 3.92Å; I130-I141 HydrophobicContact CG1-CD1 4.33Å; A133-I141 HydrophobicContact CB-CD1 3.6Å; A133-I141 HydrophobicContact CB-CG1 3.87Å; A133-I141 HydrophobicContact CB-CG2 4.08Å; I141-E145 WeakPolarHBondContact CA-OE2 3.32Å; I141-E145 HydrophobicContact CG2-CB 3.82Å; I141-F146 HydrophobicContact CG2-CB 3.92Å
142D95Very high90.7Very high31 Ų3163.2 Ų63.217%0.16632%0.317CS..EExtended strand (participates in β ladder)trans-77.7166172.579.435.9000111.9R144 E145 F146D142-R144 PolarHBondContact O-N 3.12Å; D142-R144 VanDerWaalsContact OD1-CA 3.24Å; D142-R144 WeakPolarHBondContact OD1-CA 3.33Å; D142-R144 WeakPolarHBondContact OD1-CB 3.1Å; D142-R144 PolarHBondContact OD1-N 3.39Å; D142-R144 IonicContact OD1-NE 3.16Å; D142-R144 IonicContact OD2-CZ 2.61Å; D142-R144 IonicContact OD2-NE 3.79Å; D142-R144 IonicContact OD2-NH2 2.8Å; D142-R144 PolarHBondContact OD2-NH2 3.33Å; D142-R144 VanDerWaalsContact OD2-NH2 3.16Å; D142-E145 PolarHBondContact N-OE2 3.03Å; D142-E145 PolarHBondContact O-N 2.87Å; D142-E145 WeakPolarHBondContact OD1-CG 3.4Å; D142-E145 PolarHBondContact OD1-N 2.91Å; D142-F146 WeakPolarHBondContact O-CB 3.3Å; D142-F146 PolarHBondContact O-N 3.13Å
143F92.4Very high90.2Very high55 Ų5561.2 Ų61.224%0.24131%0.309CS..Hα-helixtrans-58.9-33.4179.7-179.8-115.7000113.9L90 R91 F94 K147L90-F143 HydrophobicContact CB-CE2 4.25Å; L90-F143 HydrophobicContact CB-CZ 4.45Å; R91-F143 HydrophobicContact CB-CE2 3.78Å; R91-F143 HydrophobicContact CB-CZ 3.87Å; R91-F143 HydrophobicContact CG-CE2 4.26Å; R91-F143 HydrophobicContact CG-CZ 4.42Å; F94-F143 HydrophobicContact CB-CD2 3.93Å; F94-F143 HydrophobicContact CB-CE2 4.27Å; F94-F143 HydrophobicContact CD1-CD2 4.46Å; F94-F143 HydrophobicContact CD2-CB 4.35Å; F94-F143 AromaticContact CD2-CD2 3.95Å; F94-F143 HydrophobicContact CD2-CD2 3.95Å; F94-F143 HydrophobicContact CE2-CB 4.23Å; F94-F143 AromaticContact CG-CD2 3.85Å; F94-F143 HydrophobicContact CG-CD2 3.85Å; F94-F143 HydrophobicContact CZ-CB 4.43Å; F143-K147 WeakPolarHBondContact O-CB 3.43Å; F143-K147 PolarHBondContact O-N 3.48Å
144R92.3Very high89.2Confident146 Ų14668 Ų6855%0.55133%0.334SS*.Hα-helixtrans-69.7-41.3178.2169.9-165.364.9176.2-2.2110.4D142 K147 M148D142-R144 PolarHBondContact O-N 3.12Å; D142-R144 VanDerWaalsContact OD1-CA 3.24Å; D142-R144 WeakPolarHBondContact OD1-CA 3.33Å; D142-R144 WeakPolarHBondContact OD1-CB 3.1Å; D142-R144 PolarHBondContact OD1-N 3.39Å; D142-R144 IonicContact OD1-NE 3.16Å; D142-R144 IonicContact OD2-CZ 2.61Å; D142-R144 IonicContact OD2-NE 3.79Å; D142-R144 IonicContact OD2-NH2 2.8Å; D142-R144 PolarHBondContact OD2-NH2 3.33Å; D142-R144 VanDerWaalsContact OD2-NH2 3.16Å; R144-K147 WeakPolarHBondContact O-CB 3.31Å; R144-K147 PolarHBondContact O-N 2.91Å; R144-M148 WeakPolarHBondContact O-CG 3.41Å; R144-M148 PolarHBondContact O-N 3.04Å
145E93.6Very high88.3Confident0 Ų070.7 Ų70.70%035%0.354CS..Hα-helixtrans-65.5-48.1176.3-72.8174.8149.100111.4A133 L135 D136 I141 D142 K147 M148 M149A133-E145 WeakPolarHBondContact O-CB 3.44Å; L135-E145 HydrophobicContact CB-CG 4.33Å; L135-E145 HydrophobicContact CD1-CG 4.48Å; L135-E145 HydrophobicContact CG-CG 4.3Å; L135-E145 PolarHBondContact N-OE1 3.05Å; D136-E145 PolarHBondContact N-OE1 3.19Å; I141-E145 WeakPolarHBondContact CA-OE2 3.32Å; I141-E145 HydrophobicContact CG2-CB 3.82Å; D142-E145 PolarHBondContact N-OE2 3.03Å; D142-E145 PolarHBondContact O-N 2.87Å; D142-E145 WeakPolarHBondContact OD1-CG 3.4Å; D142-E145 PolarHBondContact OD1-N 2.91Å; E145-K147 VanDerWaalsContact C-N 3.28Å; E145-K147 PolarHBondContact O-N 3.26Å; E145-M148 PolarHBondContact O-N 2.79Å; E145-M149 WeakPolarHBondContact O-CB 3.46Å; E145-M149 PolarHBondContact O-N 3.21Å
146F92.1Very high87.1Confident10 Ų1073.6 Ų73.64%0.04436%0.358CS..Hα-helixtrans-55.2-45.1173.4-175.3-95.2000111.6L90 A93 F94 F97 I105 I141 D142 M148 M149 M150L90-F146 HydrophobicContact CD2-CE1 4.25Å; L90-F146 WeakPolarHBondContact O-CE1 3.16Å; A93-F146 HydrophobicContact CB-CE1 4.12Å; A93-F146 HydrophobicContact CB-CZ 4.07Å; F94-F146 HydrophobicContact CB-CD1 4.17Å; F94-F146 HydrophobicContact CB-CE1 4.25Å; F94-F146 HydrophobicContact CD2-CB 3.69Å; F94-F146 HydrophobicContact CD2-CD1 4.05Å; F94-F146 HydrophobicContact CD2-CD2 4.19Å; F94-F146 AromaticContact CD2-CG 3.73Å; F94-F146 HydrophobicContact CD2-CG 3.73Å; F94-F146 HydrophobicContact CE2-CB 4.08Å; F97-F146 HydrophobicContact CD2-CE2 4.12Å; F97-F146 HydrophobicContact CD2-CZ 4.37Å; F97-F146 HydrophobicContact CE2-CE2 4.29Å; F97-F146 HydrophobicContact CE2-CZ 4.44Å; I105-F146 HydrophobicContact CD1-CD2 3.89Å; I105-F146 HydrophobicContact CD1-CE2 4.22Å; I141-F146 HydrophobicContact CG2-CB 3.92Å; D142-F146 WeakPolarHBondContact O-CB 3.3Å; D142-F146 PolarHBondContact O-N 3.13Å; F146-M148 PolarHBondContact O-N 2.99Å; F146-M149 HydrophobicContact CD2-CE 3.67Å; F146-M149 HydrophobicContact CE2-CE 3.79Å; F146-M149 HydrophobicContact CG-CE 4.41Å; F146-M149 WeakPolarHBondContact O-CB 3.4Å; F146-M149 PolarHBondContact O-N 2.72Å; F146-M150 HydrophobicContact CD1-CG 4.17Å; F146-M150 HydrophobicContact CE1-CG 3.86Å; F146-M150 HydrophobicContact CZ-CG 4.11Å; F146-M150 WeakPolarHBondContact O-CB 3.46Å; F146-M150 VanDerWaalsContact O-CG 3.31Å; F146-M150 WeakPolarHBondContact O-CG 3.36Å; F146-M150 PolarHBondContact O-N 2.78Å
147K90.1Very high85.4Confident41 Ų4174.5 Ų74.518%0.17836%0.363CS..Hα-helixtrans-62.7-41.2175.9176.7177.2-174.4176.50112.5D87 L90 F143 R144 E145 M150 K151D87-K147 WeakPolarHBondContact OD1-CE 3.4Å; D87-K147 IonicContact OD1-NZ 3.78Å; D87-K147 PolarHBondContact OD1-NZ 2.89Å; D87-K147 IonicContact OD2-NZ 2.68Å; D87-K147 PolarHBondContact OD2-NZ 3.39Å; L90-K147 HydrophobicContact CD1-CB 4.27Å; L90-K147 HydrophobicContact CD1-CG 3.84Å; F143-K147 WeakPolarHBondContact O-CB 3.43Å; F143-K147 PolarHBondContact O-N 3.48Å; R144-K147 WeakPolarHBondContact O-CB 3.31Å; R144-K147 PolarHBondContact O-N 2.91Å; E145-K147 VanDerWaalsContact C-N 3.28Å; E145-K147 PolarHBondContact O-N 3.26Å; K147-M150 PolarHBondContact O-N 3.49Å; K147-K151 HydrophobicContact CG-CD 4.39Å; K147-K151 WeakPolarHBondContact O-CB 3.28Å; K147-K151 VanDerWaalsContact O-CG 3.29Å; K147-K151 WeakPolarHBondContact O-CG 3.37Å; K147-K151 PolarHBondContact O-N 2.83Å
148M87.4Confident83.5Confident102 Ų10268.3 Ų68.350%0.50235%0.35SS..Hα-helixtrans-65.8-43.4176.7-75.6-172.665.800111.7L135 R144 E145 F146 K151 S152L135-M148 HydrophobicContact CD1-CE 3.71Å; L135-M148 HydrophobicContact CD1-SD 3.55Å; L135-M148 VanDerWaalsContact CD1-SD 3.55Å; R144-M148 WeakPolarHBondContact O-CG 3.41Å; R144-M148 PolarHBondContact O-N 3.04Å; E145-M148 PolarHBondContact O-N 2.79Å; F146-M148 PolarHBondContact O-N 2.99Å; M148-K151 PolarHBondContact O-N 2.84Å; M148-S152 WeakPolarHBondContact O-CB 3.28Å; M148-S152 PolarHBondContact O-N 2.6Å
149M88.1Confident81.3Confident47 Ų4771.6 Ų71.623%0.23236%0.36CS..Hα-helixtrans-55.8-51.7173.2179.1-170.268.700110.8A133 E145 F146 K151 S152 L153A133-M149 HydrophobicContact CB-CB 4.27Å; A133-M149 HydrophobicContact CB-CG 4.38Å; A133-M149 HydrophobicContact CB-SD 3.81Å; E145-M149 WeakPolarHBondContact O-CB 3.46Å; E145-M149 PolarHBondContact O-N 3.21Å; F146-M149 HydrophobicContact CD2-CE 3.67Å; F146-M149 HydrophobicContact CE2-CE 3.79Å; F146-M149 HydrophobicContact CG-CE 4.41Å; F146-M149 WeakPolarHBondContact O-CB 3.4Å; F146-M149 PolarHBondContact O-N 2.72Å; M149-K151 PolarHBondContact O-N 2.9Å; M149-S152 WeakPolarHBondContact O-CB 3.27Å; M149-S152 PolarHBondContact O-N 3.49Å; M149-S152 VanDerWaalsContact O-N 3.11Å; M149-L153 HydrophobicContact CG-CD1 4.22Å; M149-L153 WeakPolarHBondContact O-CG 3.46Å; M149-L153 PolarHBondContact O-N 3.12Å
150M85.5Confident79Confident47 Ų4777.7 Ų77.723%0.23238%0.375CS..Hα-helixtrans-65.5-36.2-178.3-70.8-64.4-77.500113.1L90 F146 K147 L153 R154L90-M150 HydrophobicContact CD2-CB 3.43Å; L90-M150 VanDerWaalsContact CD2-CB 3.43Å; L90-M150 HydrophobicContact CD2-CE 4.05Å; L90-M150 HydrophobicContact CD2-CG 3.61Å; F146-M150 HydrophobicContact CD1-CG 4.17Å; F146-M150 HydrophobicContact CE1-CG 3.86Å; F146-M150 HydrophobicContact CZ-CG 4.11Å; F146-M150 WeakPolarHBondContact O-CB 3.46Å; F146-M150 VanDerWaalsContact O-CG 3.31Å; F146-M150 WeakPolarHBondContact O-CG 3.36Å; F146-M150 PolarHBondContact O-N 2.78Å; K147-M150 PolarHBondContact O-N 3.49Å; M150-L153 HydrophobicContact SD-CD1 4.09Å; M150-R154 WeakPolarHBondContact O-CG 3.28Å; M150-R154 PolarHBondContact O-N 2.96Å
151K82.6Confident76.6Confident121 Ų12185.8 Ų85.853%0.52641%0.407SS..Hα-helixtrans-64.8-40.2171.9-75.7179.7178.4-171.80111.9K147 M148 M149 S155K147-K151 HydrophobicContact CG-CD 4.39Å; K147-K151 WeakPolarHBondContact O-CB 3.28Å; K147-K151 VanDerWaalsContact O-CG 3.29Å; K147-K151 WeakPolarHBondContact O-CG 3.37Å; K147-K151 PolarHBondContact O-N 2.83Å; M148-K151 PolarHBondContact O-N 2.84Å; M149-K151 PolarHBondContact O-N 2.9Å; K151-S155 WeakPolarHBondContact O-CB 3.03Å; K151-S155 PolarHBondContact O-N 3.11Å
152S82.4Confident73.9Confident65 Ų6594.8 Ų94.846%0.45545%0.445SS..Hα-helixtrans-64-45.8176.3-172.50000111.4M148 M149 S155 R156M148-S152 WeakPolarHBondContact O-CB 3.28Å; M148-S152 PolarHBondContact O-N 2.6Å; M149-S152 WeakPolarHBondContact O-CB 3.27Å; M149-S152 PolarHBondContact O-N 3.49Å; M149-S152 VanDerWaalsContact O-N 3.11Å; S152-S155 WeakPolarHBondContact O-CB 3.44Å; S152-S155 PolarHBondContact O-N 3.29Å; S152-R156 WeakPolarHBondContact O-CG 3.15Å; S152-R156 PolarHBondContact O-N 3.32Å
153L78.8Confident71.1Confident77 Ų7798 Ų9840%0.40347%0.47SS..Hα-helixtrans-59.1-50.3176.3-72.2172.3000111.9M149 M150 S155 R156 D157M149-L153 HydrophobicContact CG-CD1 4.22Å; M149-L153 WeakPolarHBondContact O-CG 3.46Å; M149-L153 PolarHBondContact O-N 3.12Å; M150-L153 HydrophobicContact SD-CD1 4.09Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.06Å; L153-R156 PolarHBondContact O-N 2.91Å; L153-D157 PolarHBondContact O-N 3.41Å
154R72Confident68.6Low146 Ų146108.6 Ų108.655%0.55152%0.516SS*.Hα-helixtrans-60.2-36.3177.1-70.5-179.2-174.1-124.511.9112.5E89 M150 G158E89-R154 IonicContact OE2-NH2 3.12Å; M150-R154 WeakPolarHBondContact O-CG 3.28Å; M150-R154 PolarHBondContact O-N 2.96Å; R154-G158 PolarHBondContact O-N 3.43Å; R154-G158 VanDerWaalsContact O-N 3.17Å
155S74.1Confident67.4Low72 Ų72106.7 Ų106.750%0.50351%0.514SS..Hα-helixtrans-68.3-35.5175.5-1730000112.7K151 S152 L153 K159K151-S155 WeakPolarHBondContact O-CB 3.03Å; K151-S155 PolarHBondContact O-N 3.11Å; S152-S155 WeakPolarHBondContact O-CB 3.44Å; S152-S155 PolarHBondContact O-N 3.29Å; L153-S155 VanDerWaalsContact C-N 3.27Å; L153-S155 PolarHBondContact O-N 3.06Å; S155-K159 PolarHBondContact O-N 3.45Å
156R65.5Low66Low163 Ų163112.3 Ų112.362%0.61554%0.542SS*.Hα-helixtrans-70.2-41.7176.9-70.4175.682.6177.84.4112.1S152 L153 G158 K159 K160S152-R156 WeakPolarHBondContact O-CG 3.15Å; S152-R156 PolarHBondContact O-N 3.32Å; L153-R156 PolarHBondContact O-N 2.91Å; R156-G158 VanDerWaalsContact C-N 3.32Å; R156-G158 PolarHBondContact O-N 2.85Å; R156-K159 PolarHBondContact O-N 2.75Å; R156-K159 VanDerWaalsContact O-N 3.16Å; R156-K160 PolarHBondContact O-N 3.29Å
157D58.1Low64.6Low105 Ų105118 Ų11856%0.56157%0.569SS**Hα-helixtrans-65.2-35.5174.9-87.5-58.3000112.5L153 K159 K160 K161L153-D157 PolarHBondContact O-N 3.41Å; D157-K159 PolarHBondContact O-N 3.16Å; D157-K160 PolarHBondContact O-N 2.74Å; D157-K161 PolarHBondContact O-N 3.25Å
158G50.6Low63.1Low47 Ų47122.5 Ų122.549%0.48559%0.592SS.*Hα-helixtrans-59.8-30.8172.300000113.8R154 R156R154-G158 PolarHBondContact O-N 3.43Å; R154-G158 VanDerWaalsContact O-N 3.17Å; R156-G158 VanDerWaalsContact C-N 3.32Å; R156-G158 PolarHBondContact O-N 2.85Å
159K46.4Very low61.5Low156 Ų156123.8 Ų123.868%0.67860%0.598SS**Hα-helixtrans-80.9-27.7176.1-72.2-173.1-178175.80113.5S155 R156 D157 K161 K162S155-K159 PolarHBondContact O-N 3.45Å; R156-K159 PolarHBondContact O-N 2.75Å; R156-K159 VanDerWaalsContact O-N 3.16Å; D157-K159 PolarHBondContact O-N 3.16Å; K159-K161 VanDerWaalsContact C-N 3.32Å; K159-K161 PolarHBondContact O-N 2.99Å; K159-K162 PolarHBondContact O-N 3.24Å
160K43.7Very low59.8Low169 Ų169128.9 Ų128.974%0.73562%0.622SS**Hα-helixtrans-69-28.7176.4-77.3-171.3178.6174.80113R156 D157 K162R156-K160 PolarHBondContact O-N 3.29Å; D157-K160 PolarHBondContact O-N 2.74Å; K160-K162 PolarHBondContact O-N 3.34Å
161K42.3Very low57.9Low195 Ų195134.8 Ų134.885%0.84865%0.65SS**THydrogen-bonded Turntrans-79.3-7.9177.9-73.4-166.7177.1-179.30115.5D157 K159D157-K161 PolarHBondContact O-N 3.25Å; K159-K161 VanDerWaalsContact C-N 3.32Å; K159-K161 PolarHBondContact O-N 2.99Å
162K39.4Very low56Low195 Ų195135.8 Ų135.885%0.84866%0.66SS**THydrogen-bonded Turntrans-105.32.9175.1-75-161.7175.8-174.20114.8K159 K160K159-K162 PolarHBondContact O-N 3.24Å; K160-K162 PolarHBondContact O-N 3.34Å
163S36Very low53.8Low98 Ų98141.8 Ų141.869%0.68568%0.677SS**  trans-113.570.3171.8-68.50000110.3
164K39.2Very low51.6Low278 Ų278147.6 Ų147.6100%1.20970%0.702SS**  trans-165.90149-105.7174.1-170.7-1740109.4

Retrieved 164 of 164 residues in 113.5 ms (Link to these results)

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