A0A077YVN4_TRITR Loading...

Zf-MYND domain containing protein

AlphaFold DB , UniProt , Accession A0A077YVN4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 440 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
1M43.1Very low76.8Confident186 Ų18672.1 Ų72.192%0.91642%0.415SS*.  0140.30-62.9179.9-160.500108.2K5M1-K5 CarbonylContact C-O 3.51Å; M1-K5 WeakPolarHBondContact CA-O 3.4Å; M1-K5 VanDerWaalsContact CB-O 3.3Å; M1-K5 WeakPolarHBondContact CB-O 3.42Å
2Q54Low78.4Confident75 Ų7570.9 Ų70.935%0.3540%0.399SS..BIsolated β-bridgetrans-110124.7163.7-79.6178.6-5.200106.2G4 K5Q2-G4 PolarHBondContact O-N 3.39Å; Q2-G4 VanDerWaalsContact O-N 3.14Å; Q2-K5 PolarHBondContact N-O 3.25Å; Q2-K5 VanDerWaalsContact N-O 3.16Å; Q2-K5 PolarHBondContact O-N 2.85Å
3N58.7Low79.8Confident143 Ų14366.6 Ų66.677%0.76538%0.376SS*.THydrogen-bonded Turntrans50.238.1-178.9-61.3-11.1000115.1K5N3-K5 PolarHBondContact O-N 3.17Å
4G61.9Low81Confident64 Ų6462.5 Ų62.566%0.6635%0.352SS*.THydrogen-bonded Turntrans79.1-5-17900000115.5Q2Q2-G4 PolarHBondContact O-N 3.39Å; Q2-G4 VanDerWaalsContact O-N 3.14Å
5K73.5Confident82.1Confident76 Ų7658.3 Ų58.333%0.3333%0.329SS..BIsolated β-bridgetrans-93.9157.6176.4-61.9-169.4178.6-161.10112.4M1 Q2 N3 A7 D217 V218 D219M1-K5 CarbonylContact C-O 3.51Å; M1-K5 WeakPolarHBondContact CA-O 3.4Å; M1-K5 VanDerWaalsContact CB-O 3.3Å; M1-K5 WeakPolarHBondContact CB-O 3.42Å; Q2-K5 PolarHBondContact N-O 3.25Å; Q2-K5 VanDerWaalsContact N-O 3.16Å; Q2-K5 PolarHBondContact O-N 2.85Å; N3-K5 PolarHBondContact O-N 3.17Å; K5-A7 PolarHBondContact O-N 3.37Å; K5-D217 PolarHBondContact NZ-O 2.9Å; K5-V218 VanDerWaalsContact CD-O 3.28Å; K5-V218 WeakPolarHBondContact CD-O 3.45Å; K5-D219 HydrophobicContact CD-CB 4.36Å
6V80.4Confident83.1Confident62 Ų6255.1 Ų55.138%0.37631%0.31SS..  trans-61.7118.81741790000108.8S8 I9 T221V6-S8 VanDerWaalsContact C-N 3.32Å; V6-S8 WeakPolarHBondContact CG1-O 3.39Å; V6-S8 PolarHBondContact O-N 3.31Å; V6-I9 HydrophobicContact CG1-CG1 3.83Å; V6-T221 HydrophobicContact CB-CG2 4.42Å; V6-T221 HydrophobicContact CG2-CG2 3.85Å
7A89Confident84Confident24 Ų2451.9 Ų51.920%0.19829%0.292CS..SBendtrans-75.6-22.7-175.100000113.2K5 P213K5-A7 PolarHBondContact O-N 3.37Å; A7-P213 WeakPolarHBondContact O-CD 3.45Å
8S95.1Very high84.8Confident40 Ų4049.3 Ų49.328%0.2828%0.277SS..  trans-165.1151176.756.50000111.1V6 L211V6-S8 VanDerWaalsContact C-N 3.32Å; V6-S8 WeakPolarHBondContact CG1-O 3.39Å; V6-S8 PolarHBondContact O-N 3.31Å; S8-L211 CarbonylContact C-O 3.55Å; S8-L211 WeakPolarHBondContact CA-O 3.27Å; S8-L211 WeakPolarHBondContact CB-O 3.39Å
9I96.2Very high85.5Confident38 Ų3848.9 Ų48.920%0.19527%0.274CS..EExtended strand (participates in β ladder)trans-118.4134.4170.7-56.6177.2000108.5V6 F11 T210 L211 L220 T221V6-I9 HydrophobicContact CG1-CG1 3.83Å; I9-F11 HydrophobicContact CB-CE2 3.76Å; I9-F11 HydrophobicContact CB-CZ 3.83Å; I9-F11 HydrophobicContact CG2-CD2 4.41Å; I9-F11 HydrophobicContact CG2-CE1 3.9Å; I9-F11 HydrophobicContact CG2-CE2 3.6Å; I9-F11 HydrophobicContact CG2-CZ 3.32Å; I9-F11 WeakPolarHBondContact O-CD2 3.13Å; I9-F11 WeakPolarHBondContact O-CE2 3.02Å; I9-T210 CarbonylContact O-C 3.47Å; I9-T210 WeakPolarHBondContact O-CA 3.48Å; I9-L211 PolarHBondContact N-O 3.21Å; I9-L211 PolarHBondContact O-N 2.92Å; I9-L220 HydrophobicContact CD1-CB 3.62Å; I9-L220 VanDerWaalsContact CD1-O 3.29Å; I9-L220 WeakPolarHBondContact CD1-O 3.45Å; I9-L220 HydrophobicContact CG1-CB 4.04Å; I9-L220 HydrophobicContact CG1-CD1 4.27Å; I9-T221 HydrophobicContact CD1-CG2 4.32Å
10V96.1Very high86.1Confident72 Ų7249.8 Ų49.844%0.43628%0.278SS..EExtended strand (participates in β ladder)trans-103139-177.6179.20000110.1Y12 V208 A209 T210V10-Y12 HydrophobicContact CG1-CD2 4.37Å; V10-Y12 HydrophobicContact CG1-CE2 3.83Å; V10-V208 HydrophobicContact CG1-CG1 3.21Å; V10-A209 CarbonylContact C-O 3.57Å; V10-A209 WeakPolarHBondContact CA-O 3.26Å; V10-T210 HydrophobicContact CG2-CG2 4.36Å
11F97Very high86.6Confident13 Ų1354 Ų546%0.05730%0.3CS..EExtended strand (participates in β ladder)trans-130135.4-176.7-56.9-87.1000110.9I9 Y186 D188 L189 Y192 A209 L211I9-F11 HydrophobicContact CB-CE2 3.76Å; I9-F11 HydrophobicContact CB-CZ 3.83Å; I9-F11 HydrophobicContact CG2-CD2 4.41Å; I9-F11 HydrophobicContact CG2-CE1 3.9Å; I9-F11 HydrophobicContact CG2-CE2 3.6Å; I9-F11 HydrophobicContact CG2-CZ 3.32Å; I9-F11 WeakPolarHBondContact O-CD2 3.13Å; I9-F11 WeakPolarHBondContact O-CE2 3.02Å; F11-Y186 HydrophobicContact CB-CD1 4.06Å; F11-D188 HydrophobicContact CD1-CB 3.78Å; F11-D188 HydrophobicContact CE1-CB 3.95Å; F11-L189 HydrophobicContact CB-CB 4.19Å; F11-L189 HydrophobicContact CD1-CB 4.05Å; F11-L189 HydrophobicContact CD2-CB 4.26Å; F11-L189 HydrophobicContact CD2-CD1 3.91Å; F11-L189 HydrophobicContact CE1-CB 4.49Å; F11-L189 HydrophobicContact CE2-CD1 3.87Å; F11-L189 HydrophobicContact CG-CB 3.9Å; F11-L189 HydrophobicContact CG-CD1 4.41Å; F11-L189 HydrophobicContact CZ-CD1 4.3Å; F11-Y192 HydrophobicContact CE1-CE2 4.06Å; F11-Y192 AromaticContact CZ-CE2 3.62Å; F11-Y192 HydrophobicContact CZ-CE2 3.62Å; F11-A209 HydrophobicContact CB-CB 4.35Å; F11-A209 PolarHBondContact N-O 2.87Å; F11-A209 PolarHBondContact O-N 3.47Å; F11-L211 HydrophobicContact CD2-CB 4.38Å; F11-L211 HydrophobicContact CE2-CB 3.61Å; F11-L211 HydrophobicContact CE2-CD2 4.3Å; F11-L211 HydrophobicContact CZ-CD2 4.46Å
12Y96.2Very high89.2Confident58 Ų5845.7 Ų45.723%0.22726%0.259CS..  trans-106.9140.7175.3-72.6-97.1000110.2V10 L108 N109 F207 V208V10-Y12 HydrophobicContact CG1-CD2 4.37Å; V10-Y12 HydrophobicContact CG1-CE2 3.83Å; Y12-L108 WeakPolarHBondContact CB-O 3.35Å; Y12-L108 HydrophobicContact CD1-CB 4.23Å; Y12-L108 HydrophobicContact CD1-CD2 3.55Å; Y12-L108 HydrophobicContact CD1-CG 3.66Å; Y12-L108 HydrophobicContact CE1-CD2 3.7Å; Y12-L108 HydrophobicContact CE1-CG 3.86Å; Y12-L108 HydrophobicContact CG-CG 4.37Å; Y12-L108 VanDerWaalsContact CG-O 3.28Å; Y12-N109 HydrophobicContact CD2-CB 3.64Å; Y12-N109 HydrophobicContact CE1-CB 4.35Å; Y12-N109 HydrophobicContact CE2-CB 3.39Å; Y12-N109 HydrophobicContact CG-CB 4.24Å; Y12-N109 PolarHBondContact OH-ND2 3.36Å; Y12-F207 HydrophobicContact CD1-CE2 4.02Å; Y12-F207 HydrophobicContact CE1-CE2 4.26Å; Y12-V208 HydrophobicContact CD1-CG2 3.98Å; Y12-V208 HydrophobicContact CE1-CG1 4.45Å; Y12-V208 HydrophobicContact CE1-CG2 3.53Å; Y12-V208 HydrophobicContact CE2-CG1 4.38Å
13P96.7Very high91.3Very high15 Ų1542.8 Ų42.810%0.09725%0.246CC..  trans-78140.9-175.729.3-31.8000111.1A15 Y16 L185 Y186 F207P13-A15 VanDerWaalsContact C-N 3.27Å; P13-Y16 HydrophobicContact CB-CD1 4.18Å; P13-Y16 HydrophobicContact CG-CD1 3.51Å; P13-Y16 HydrophobicContact CG-CE1 4.17Å; P13-Y16 HydrophobicContact CG-CG 4.2Å; P13-L185 CarbonylContact C-O 3.54Å; P13-L185 WeakPolarHBondContact CA-O 3.22Å; P13-Y186 HydrophobicContact CB-CD1 3.88Å; P13-Y186 HydrophobicContact CB-CD2 4.3Å; P13-Y186 HydrophobicContact CB-CE1 3.67Å; P13-Y186 HydrophobicContact CB-CE2 4.11Å; P13-Y186 HydrophobicContact CB-CG 4.2Å; P13-Y186 HydrophobicContact CG-CE1 3.96Å; P13-F207 VanDerWaalsContact CD-O 3.23Å; P13-F207 WeakPolarHBondContact CD-O 3.32Å; P13-F207 HydrophobicContact CG-CB 4.14Å; P13-F207 HydrophobicContact CG-CD2 3.96Å; P13-F207 HydrophobicContact CG-CG 4.4Å
14F96.3Very high93.1Very high9 Ų940.3 Ų40.34%0.03924%0.238CC..SBendtrans-68.9-25.7165.6178.9-100.2000112.6I88 R91 I95 F106 Y107 L116 L185 L187F14-I88 HydrophobicContact CD1-CG1 4.45Å; F14-I88 HydrophobicContact CD1-CG2 4.36Å; F14-I88 HydrophobicContact CE1-CB 4.45Å; F14-I88 HydrophobicContact CE1-CG2 3.95Å; F14-R91 HydrophobicContact CE1-CB 3.87Å; F14-R91 HydrophobicContact CE2-CB 4.18Å; F14-R91 HydrophobicContact CZ-CB 3.46Å; F14-R91 VanDerWaalsContact CZ-CB 3.46Å; F14-R91 HydrophobicContact CZ-CG 4.45Å; F14-R91 WeakPolarHBondContact O-CD 3.48Å; F14-R91 PolarHBondContact O-NE 2.87Å; F14-R91 VanDerWaalsContact O-NE 3.13Å; F14-R91 PolarHBondContact O-NH1 3.24Å; F14-I95 HydrophobicContact CE2-CD1 3.9Å; F14-I95 HydrophobicContact CZ-CD1 3.88Å; F14-F106 HydrophobicContact CE2-CE1 4.09Å; F14-Y107 AromaticContact CD2-CE1 4Å; F14-Y107 HydrophobicContact CD2-CE1 4Å; F14-Y107 AromaticContact CE2-CE1 3.96Å; F14-Y107 HydrophobicContact CE2-CE1 3.96Å; F14-L116 HydrophobicContact CE1-CD2 4.21Å; F14-L185 WeakPolarHBondContact CB-O 3.04Å; F14-L185 HydrophobicContact CD1-CD2 4.26Å; F14-L185 PolarHBondContact N-O 3.32Å; F14-L187 HydrophobicContact CB-CD1 3.86Å; F14-L187 HydrophobicContact CB-CD2 4.38Å; F14-L187 HydrophobicContact CB-CG 3.74Å; F14-L187 HydrophobicContact CD2-CD1 3.78Å; F14-L187 HydrophobicContact CG-CD1 3.9Å; F14-L187 HydrophobicContact CG-CG 4.2Å
15A96.9Very high94.7Very high0 Ų040.2 Ų40.20%022%0.223CC..EExtended strand (participates in β ladder)trans-165.1153.6167.300000108P13 L84 R87 I88 G184 L185P13-A15 VanDerWaalsContact C-N 3.27Å; A15-L84 HydrophobicContact CB-CD1 3.97Å; A15-R87 HydrophobicContact CB-CB 4.11Å; A15-I88 HydrophobicContact CB-CG1 3.55Å; A15-G184 CarbonylContact O-C 3.57Å; A15-G184 WeakPolarHBondContact O-CA 3.4Å; A15-L185 PolarHBondContact O-N 2.83Å
16Y98.1Very high95.9Very high7 Ų737.4 Ų37.43%0.02721%0.21CC..EExtended strand (participates in β ladder)trans-150.416217563.5-80.4000110.9P13 Y29 L31 R87 I172 K183 F207P13-Y16 HydrophobicContact CB-CD1 4.18Å; P13-Y16 HydrophobicContact CG-CD1 3.51Å; P13-Y16 HydrophobicContact CG-CE1 4.17Å; P13-Y16 HydrophobicContact CG-CG 4.2Å; Y16-Y29 VanDerWaalsContact CE2-O 3.26Å; Y16-Y29 WeakPolarHBondContact CE2-O 3.45Å; Y16-Y29 VanDerWaalsContact OH-CD2 3.23Å; Y16-Y29 WeakPolarHBondContact OH-CD2 3.35Å; Y16-Y29 PolarHBondContact OH-O 3.08Å; Y16-L31 HydrophobicContact CD2-CD1 4.03Å; Y16-L31 HydrophobicContact CD2-CD2 4.05Å; Y16-L31 HydrophobicContact CD2-CG 4.3Å; Y16-L31 HydrophobicContact CE2-CD1 4.22Å; Y16-L31 HydrophobicContact CE2-CD2 3.79Å; Y16-L31 HydrophobicContact CE2-CG 4.01Å; Y16-R87 VanDerWaalsContact O-CD 3.31Å; Y16-R87 WeakPolarHBondContact O-CD 3.31Å; Y16-R87 PolarHBondContact O-NH1 2.78Å; Y16-I172 HydrophobicContact CG-CD1 4.4Å; Y16-K183 CarbonylContact C-O 3.58Å; Y16-K183 WeakPolarHBondContact CA-O 3.41Å; Y16-K183 WeakPolarHBondContact CB-O 3.44Å; Y16-F207 HydrophobicContact CD1-CB 4.16Å; Y16-F207 HydrophobicContact CD1-CG 4.42Å; Y16-F207 HydrophobicContact CD2-CB 4.01Å; Y16-F207 HydrophobicContact CE1-CB 4.15Å; Y16-F207 HydrophobicContact CE1-CD1 4.11Å; Y16-F207 HydrophobicContact CE1-CD2 4.38Å; Y16-F207 AromaticContact CE1-CG 3.96Å; Y16-F207 HydrophobicContact CE1-CG 3.96Å; Y16-F207 HydrophobicContact CE2-CB 3.98Å; Y16-F207 AromaticContact CE2-CD1 3.98Å; Y16-F207 HydrophobicContact CE2-CD1 3.98Å; Y16-F207 HydrophobicContact CE2-CG 4.23Å; Y16-F207 HydrophobicContact CG-CB 4.09Å; Y16-F207 AromaticContact CZ-CD1 3.57Å; Y16-F207 AromaticContact CZ-CG 3.84Å; Y16-F207 WeakPolarHBondContact OH-CD1 3.44Å
17A98.4Very high96.7Very high0 Ų034.5 Ų34.50%019%0.192CC..EExtended strand (participates in β ladder)trans-152.2144.8177.600000110.3I80 R83 L84 G182 K183A17-I80 HydrophobicContact CB-CG1 4.06Å; A17-I80 WeakPolarHBondContact O-CD1 3.3Å; A17-R83 HydrophobicContact CB-CB 4.39Å; A17-L84 HydrophobicContact CB-CB 4.07Å; A17-G182 CarbonylContact O-C 3.58Å; A17-G182 WeakPolarHBondContact O-CA 3.3Å; A17-K183 PolarHBondContact N-O 2.95Å; A17-K183 PolarHBondContact O-N 3.28Å
18L98.4Very high97.1Very high6 Ų634.1 Ų34.13%0.03119%0.186CC..EExtended strand (participates in β ladder)trans-65.8151.2171.2-76.5166.8000110.9E22 L23 Y26 W28 L31 I80 R83 I181L18-E22 HydrophobicContact CD2-CB 4.24Å; L18-L23 HydrophobicContact CB-CD2 4.03Å; L18-Y26 HydrophobicContact CD2-CD2 4.27Å; L18-Y26 HydrophobicContact CD2-CG 4.04Å; L18-W28 HydrophobicContact CD1-CG 4.24Å; L18-L31 HydrophobicContact CD1-CD2 4.44Å; L18-L31 HydrophobicContact CD2-CD2 3.68Å; L18-L31 HydrophobicContact CG-CD2 3.8Å; L18-I80 WeakPolarHBondContact O-CD1 3.32Å; L18-R83 VanDerWaalsContact O-CZ 3.27Å; L18-R83 PolarHBondContact O-NH1 3.31Å; L18-R83 PolarHBondContact O-NH2 3.46Å; L18-I181 WeakPolarHBondContact CA-O 3.45Å; L18-I181 WeakPolarHBondContact CD2-O 3.47Å
19L98.4Very high97.2Very high42 Ų4234 Ų3422%0.2218%0.179CC..  trans-63154.8163.5-73.9172.6000110.3D21 E22 L23 I80 E180 I181L19-D21 VanDerWaalsContact C-N 3.34Å; L19-D21 PolarHBondContact O-N 3.18Å; L19-E22 HydrophobicContact CB-CB 4.4Å; L19-E22 HydrophobicContact CB-CG 4.07Å; L19-E22 PolarHBondContact O-N 3.12Å; L19-L23 PolarHBondContact O-N 3.05Å; L19-I80 HydrophobicContact CD2-CD1 3.72Å; L19-I80 HydrophobicContact CD2-CG2 4.26Å; L19-I80 HydrophobicContact CG-CD1 4.19Å; L19-E180 HydrophobicContact CD1-CB 4.22Å; L19-E180 HydrophobicContact CD1-CG 3.9Å; L19-E180 VanDerWaalsContact CD1-O 3.26Å; L19-E180 WeakPolarHBondContact CD1-O 3.4Å; L19-I181 PolarHBondContact N-O 3.48Å
20D98.1Very high97.2Very high66 Ų6633.1 Ų33.135%0.35318%0.177SC..G310 helixtrans-60.5-44.1-173-60.3-34.3000112E22 L23 D79 I80 R83D20-E22 PolarHBondContact O-N 3.26Å; D20-L23 WeakPolarHBondContact O-CB 3.15Å; D20-L23 WeakPolarHBondContact O-CD1 3.5Å; D20-L23 VanDerWaalsContact O-CG 3.29Å; D20-L23 WeakPolarHBondContact O-CG 3.37Å; D20-L23 PolarHBondContact O-N 2.83Å; D20-D79 VanDerWaalsContact OD1-CA 3.25Å; D20-D79 WeakPolarHBondContact OD1-CA 3.47Å; D20-D79 WeakPolarHBondContact OD2-CA 3.27Å; D20-D79 WeakPolarHBondContact OD2-CB 3.46Å; D20-I80 PolarHBondContact OD1-N 3.48Å; D20-R83 IonicContact OD1-CZ 2.78Å; D20-R83 IonicContact OD1-NE 2.68Å; D20-R83 IonicContact OD1-NH2 3.8Å; D20-R83 PolarHBondContact OD1-NH2 3.39Å
21D97Very high97.2Very high139 Ų13930 Ų3074%0.74316%0.158SC*.G310 helixtrans-69.5-14.2178.6-63.8-27000113.3L19 N25L19-D21 VanDerWaalsContact C-N 3.34Å; L19-D21 PolarHBondContact O-N 3.18Å; D21-N25 PolarHBondContact O-ND2 3.2Å
22E97.4Very high97.1Very high11 Ų1133.7 Ų33.75%0.05117%0.173CC..G310 helixtrans-99.9-3.5-178-58.4-40.5133.700113.8L18 L19 D20 C24 N25 Y26 K179 I181L18-E22 HydrophobicContact CD2-CB 4.24Å; L19-E22 HydrophobicContact CB-CB 4.4Å; L19-E22 HydrophobicContact CB-CG 4.07Å; L19-E22 PolarHBondContact O-N 3.12Å; D20-E22 PolarHBondContact O-N 3.26Å; E22-C24 PolarHBondContact O-N 3.23Å; E22-C24 VanDerWaalsContact O-N 3.09Å; E22-N25 PolarHBondContact O-N 3.14Å; E22-N25 PolarHBondContact OE2-ND2 2.86Å; E22-Y26 HydrophobicContact CB-CD2 3.8Å; E22-Y26 HydrophobicContact CB-CE2 4.12Å; E22-Y26 HydrophobicContact CG-CD2 4.41Å; E22-Y26 HydrophobicContact CG-CE2 4.23Å; E22-Y26 PolarHBondContact O-N 2.85Å; E22-Y26 VanDerWaalsContact OE2-CE2 3.28Å; E22-Y26 WeakPolarHBondContact OE2-CE2 3.39Å; E22-K179 WeakPolarHBondContact OE1-CE 3.31Å; E22-K179 IonicContact OE1-NZ 3.66Å; E22-K179 PolarHBondContact OE1-NZ 3.25Å; E22-K179 IonicContact OE2-NZ 3.13Å; E22-K179 PolarHBondContact OE2-NZ 2.81Å; E22-I181 HydrophobicContact CG-CB 4.37Å
23L97.3Very high97Very high14 Ų1432.3 Ų32.37%0.07317%0.17CC..THydrogen-bonded Turntrans-58.9-26.3-177.8-69.3173.2000113.7L18 L19 D20 W28 L49 I77L18-L23 HydrophobicContact CB-CD2 4.03Å; L19-L23 PolarHBondContact O-N 3.05Å; D20-L23 WeakPolarHBondContact O-CB 3.15Å; D20-L23 WeakPolarHBondContact O-CD1 3.5Å; D20-L23 VanDerWaalsContact O-CG 3.29Å; D20-L23 WeakPolarHBondContact O-CG 3.37Å; D20-L23 PolarHBondContact O-N 2.83Å; L23-W28 HydrophobicContact CB-CZ2 4.14Å; L23-W28 HydrophobicContact CD2-CH2 4.15Å; L23-W28 HydrophobicContact CD2-CZ2 3.62Å; L23-W28 HydrophobicContact CG-CZ2 4.34Å; L23-W28 PolarHBondContact O-NE1 3.39Å; L23-L49 WeakPolarHBondContact O-CD1 3.33Å; L23-I77 HydrophobicContact CD1-CD1 4.18Å; L23-I77 HydrophobicContact CD1-CG2 3.89Å
24C96.1Very high96.9Very high90 Ų9033.9 Ų33.961%0.60818%0.182SC*.THydrogen-bonded Turntrans-93.8-13.9179.7-67.10000113.8E22 L49E22-C24 PolarHBondContact O-N 3.23Å; E22-C24 VanDerWaalsContact O-N 3.09Å; C24-L49 WeakPolarHBondContact O-CD1 3.39Å
25N96.3Very high96.6Very high62 Ų6242.2 Ų42.233%0.33222%0.218SC..THydrogen-bonded Turntrans-103.8-16.7-169.2-57.6-34000112.8D21 E22 S34D21-N25 PolarHBondContact O-ND2 3.2Å; E22-N25 PolarHBondContact O-N 3.14Å; E22-N25 PolarHBondContact OE2-ND2 2.86Å; N25-S34 VanDerWaalsContact O-CB 3.31Å; N25-S34 WeakPolarHBondContact O-CB 3.33Å; N25-S34 PolarHBondContact O-N 3.26Å; N25-S34 PolarHBondContact O-OG 2.77Å
26Y97.6Very high96.1Very high18 Ų1847.8 Ų47.87%0.07124%0.239CC..BIsolated β-bridgetrans-130.2150.8-171.5-67.8-90.7000112.8L18 E22 W28 L31 K32 D33 I181L18-Y26 HydrophobicContact CD2-CD2 4.27Å; L18-Y26 HydrophobicContact CD2-CG 4.04Å; E22-Y26 HydrophobicContact CB-CD2 3.8Å; E22-Y26 HydrophobicContact CB-CE2 4.12Å; E22-Y26 HydrophobicContact CG-CD2 4.41Å; E22-Y26 HydrophobicContact CG-CE2 4.23Å; E22-Y26 PolarHBondContact O-N 2.85Å; E22-Y26 VanDerWaalsContact OE2-CE2 3.28Å; E22-Y26 WeakPolarHBondContact OE2-CE2 3.39Å; Y26-W28 PolarHBondContact O-N 3.46Å; Y26-L31 VanDerWaalsContact CD1-O 3.24Å; Y26-L31 WeakPolarHBondContact CD1-O 3.23Å; Y26-K32 WeakPolarHBondContact CA-O 3.42Å; Y26-D33 HydrophobicContact CD1-CB 4.11Å; Y26-D33 HydrophobicContact CE1-CB 3.69Å; Y26-I181 HydrophobicContact CD1-CD1 4.08Å; Y26-I181 HydrophobicContact CE1-CD1 3.87Å; Y26-I181 HydrophobicContact CE1-CG2 4.24Å; Y26-I181 HydrophobicContact CE2-CB 4.29Å; Y26-I181 HydrophobicContact CE2-CG2 3.92Å; Y26-I181 WeakPolarHBondContact OH-CG2 3.14Å
27C98Very high95.7Very high0 Ų048.9 Ų48.90%025%0.252CS..  trans-61.8129.9165.91760000110.5Y29 C30 L31 K32 L39 L49 C51C27-Y29 PolarHBondContact O-N 3.37Å; C27-Y29 VanDerWaalsContact O-N 3.17Å; C27-Y29 PolarHBondContact SG-N 2.84Å; C27-Y29 VanDerWaalsContact SG-N 3.42Å; C27-C30 PolarHBondContact SG-N 3.2Å; C27-C30 VanDerWaalsContact SG-SG 3.6Å; C27-L31 VanDerWaalsContact O-CA 3.22Å; C27-L31 WeakPolarHBondContact O-CA 3.26Å; C27-L31 PolarHBondContact O-N 3.13Å; C27-K32 PolarHBondContact N-O 3.47Å; C27-L39 HydrophobicContact CB-CD2 3.96Å; C27-L49 CarbonylContact C-O 3.59Å; C27-L49 WeakPolarHBondContact CA-O 3.19Å; C27-C51 HydrophobicContact CB-CB 4.36Å
28W97.6Very high95.5Very high16 Ų1655.8 Ų55.86%0.06129%0.285CS..THydrogen-bonded Turntrans-71.5-8.4-178.6-73.232.5000114.1L18 L23 Y26 T47 A48 L49 F50 L70L18-W28 HydrophobicContact CD1-CG 4.24Å; L23-W28 HydrophobicContact CB-CZ2 4.14Å; L23-W28 HydrophobicContact CD2-CH2 4.15Å; L23-W28 HydrophobicContact CD2-CZ2 3.62Å; L23-W28 HydrophobicContact CG-CZ2 4.34Å; L23-W28 PolarHBondContact O-NE1 3.39Å; Y26-W28 PolarHBondContact O-N 3.46Å; W28-T47 HydrophobicContact CH2-CG2 3.97Å; W28-T47 HydrophobicContact CZ2-CG2 4.24Å; W28-A48 HydrophobicContact CD2-CB 3.73Å; W28-A48 HydrophobicContact CE3-CB 3.41Å; W28-A48 VanDerWaalsContact CE3-CB 3.41Å; W28-A48 HydrophobicContact CG-CB 4.33Å; W28-A48 HydrophobicContact CH2-CB 4.27Å; W28-A48 HydrophobicContact CZ3-CB 3.72Å; W28-L49 WeakPolarHBondContact CB-O 3.39Å; W28-L49 PolarHBondContact N-O 3.33Å; W28-F50 HydrophobicContact CB-CE1 4.18Å; W28-F50 HydrophobicContact CB-CZ 4.49Å; W28-L70 HydrophobicContact CH2-CD1 4.24Å; W28-L70 HydrophobicContact CH2-CD2 4.41Å; W28-L70 HydrophobicContact CZ3-CD1 3.83Å
29Y97.2Very high95.5Very high37 Ų3757 Ų5715%0.14529%0.291CS..THydrogen-bonded Turntrans-103.3-75.4169.7177.6-112.2000110.7Y16 C27 L31 C55 L58 G59 F207Y16-Y29 VanDerWaalsContact CE2-O 3.26Å; Y16-Y29 WeakPolarHBondContact CE2-O 3.45Å; Y16-Y29 VanDerWaalsContact OH-CD2 3.23Å; Y16-Y29 WeakPolarHBondContact OH-CD2 3.35Å; Y16-Y29 PolarHBondContact OH-O 3.08Å; C27-Y29 PolarHBondContact O-N 3.37Å; C27-Y29 VanDerWaalsContact O-N 3.17Å; C27-Y29 PolarHBondContact SG-N 2.84Å; C27-Y29 VanDerWaalsContact SG-N 3.42Å; Y29-L31 PolarHBondContact O-N 3.3Å; Y29-C55 VanDerWaalsContact CB-O 3.32Å; Y29-C55 WeakPolarHBondContact CB-O 3.47Å; Y29-C55 HydrophobicContact CD1-CB 3.95Å; Y29-C55 HydrophobicContact CG-CB 4.49Å; Y29-L58 HydrophobicContact CD1-CB 3.92Å; Y29-L58 HydrophobicContact CD1-CD1 4.39Å; Y29-L58 HydrophobicContact CD2-CB 4.17Å; Y29-L58 HydrophobicContact CE1-CB 3.43Å; Y29-L58 VanDerWaalsContact CE1-CB 3.43Å; Y29-L58 HydrophobicContact CE1-CD1 3.51Å; Y29-L58 HydrophobicContact CE1-CG 4.1Å; Y29-L58 HydrophobicContact CE2-CB 3.7Å; Y29-L58 HydrophobicContact CG-CB 4.26Å; Y29-G59 VanDerWaalsContact CD2-CA 3.49Å; Y29-F207 HydrophobicContact CE1-CE1 4.32Å; Y29-F207 HydrophobicContact CE2-CE1 4.2Å; Y29-F207 HydrophobicContact CE2-CZ 4.38Å; Y29-F207 VanDerWaalsContact O-CD1 3.26Å; Y29-F207 WeakPolarHBondContact O-CD1 3.44Å
30C96.2Very high95.4Very high20 Ų2059.4 Ų59.414%0.13530%0.301CS..THydrogen-bonded Turntrans-79.90.8-171.170.20000114.3C27 K32 C55 S206C27-C30 PolarHBondContact SG-N 3.2Å; C27-C30 VanDerWaalsContact SG-SG 3.6Å; C30-K32 PolarHBondContact O-N 3.42Å; C30-K32 VanDerWaalsContact SG-CB 3.56Å; C30-C55 VanDerWaalsContact SG-SG 3.68Å; C30-S206 WeakPolarHBondContact O-CB 3.45Å; C30-S206 PolarHBondContact O-OG 3.36Å
31L97.1Very high95.4Very high7 Ų763.5 Ų63.54%0.03731%0.311CS..  trans53.127.7-180-45.7-172.8000113.7Y16 L18 Y26 C27 Y29 I172 I181 F207Y16-L31 HydrophobicContact CD2-CD1 4.03Å; Y16-L31 HydrophobicContact CD2-CD2 4.05Å; Y16-L31 HydrophobicContact CD2-CG 4.3Å; Y16-L31 HydrophobicContact CE2-CD1 4.22Å; Y16-L31 HydrophobicContact CE2-CD2 3.79Å; Y16-L31 HydrophobicContact CE2-CG 4.01Å; L18-L31 HydrophobicContact CD1-CD2 4.44Å; L18-L31 HydrophobicContact CD2-CD2 3.68Å; L18-L31 HydrophobicContact CG-CD2 3.8Å; Y26-L31 VanDerWaalsContact CD1-O 3.24Å; Y26-L31 WeakPolarHBondContact CD1-O 3.23Å; C27-L31 VanDerWaalsContact O-CA 3.22Å; C27-L31 WeakPolarHBondContact O-CA 3.26Å; C27-L31 PolarHBondContact O-N 3.13Å; Y29-L31 PolarHBondContact O-N 3.3Å; L31-I172 HydrophobicContact CD1-CD1 4.15Å; L31-I172 HydrophobicContact CD1-CG2 3.8Å; L31-I181 HydrophobicContact CB-CD1 4.12Å; L31-I181 HydrophobicContact CD1-CD1 4.49Å; L31-F207 HydrophobicContact CD1-CB 3.81Å; L31-F207 HydrophobicContact CG-CB 4.33Å
32K94.7Very high95.4Very high90 Ų9057 Ų5739%0.39128%0.277SS..  trans-78.5133.6173-174.9179.5176.2-171.10109.5Y26 C27 C30 R36Y26-K32 WeakPolarHBondContact CA-O 3.42Å; C27-K32 PolarHBondContact N-O 3.47Å; C30-K32 PolarHBondContact O-N 3.42Å; C30-K32 VanDerWaalsContact SG-CB 3.56Å; K32-R36 WeakPolarHBondContact CE-O 3.24Å; K32-R36 HydrophobicContact CG-CB 4.5Å; K32-R36 PolarHBondContact NZ-O 3.21Å
33D93.4Very high95.3Very high30 Ų3060.5 Ų60.516%0.1630%0.302CS..BIsolated β-bridgetrans-66.2136.1177.2-175.5-6.4000111.7Y26 K35 R36Y26-D33 HydrophobicContact CD1-CB 4.11Å; Y26-D33 HydrophobicContact CE1-CB 3.69Å; D33-K35 PolarHBondContact O-N 3.02Å; D33-K35 PolarHBondContact OD1-N 3.03Å; D33-K35 WeakPolarHBondContact OD2-CD 3.49Å; D33-R36 PolarHBondContact O-N 2.96Å
34S93.7Very high95.3Very high48 Ų4863.5 Ų63.534%0.33632%0.324SS..G310 helixtrans-47.8-31167.963.80000114.6N25 R36 G37N25-S34 VanDerWaalsContact O-CB 3.31Å; N25-S34 WeakPolarHBondContact O-CB 3.33Å; N25-S34 PolarHBondContact O-N 3.26Å; N25-S34 PolarHBondContact O-OG 2.77Å; S34-R36 PolarHBondContact O-N 3.06Å; S34-G37 CarbonylContact C-O 3.6Å; S34-G37 WeakPolarHBondContact CA-O 3.38Å; S34-G37 CarbonylContact O-C 3.49Å; S34-G37 PolarHBondContact O-N 3.11Å
35K90.9Very high95.3Very high184 Ų18459.2 Ų59.280%0.830%0.295SS*.G310 helixtrans-65.2-18.8176.1-63.8177.7-170.7167.60113.2D33D33-K35 PolarHBondContact O-N 3.02Å; D33-K35 PolarHBondContact OD1-N 3.03Å; D33-K35 WeakPolarHBondContact OD2-CD 3.49Å
36R86.7Confident95.4Very high116 Ų11661.5 Ų61.544%0.43830%0.302SS..G310 helixtrans-10810.4-177.8-59.8-176.2-178.7-1681.2112.9K32 D33 S34 E430K32-R36 WeakPolarHBondContact CE-O 3.24Å; K32-R36 HydrophobicContact CG-CB 4.5Å; K32-R36 PolarHBondContact NZ-O 3.21Å; D33-R36 PolarHBondContact O-N 2.96Å; S34-R36 PolarHBondContact O-N 3.06Å; R36-E430 IonicContact CZ-OE2 3.53Å; R36-E430 IonicContact NH1-OE2 3.71Å; R36-E430 VanDerWaalsContact NH2-CD 3.26Å; R36-E430 IonicContact NH2-OE1 3.39Å; R36-E430 PolarHBondContact NH2-OE1 3.3Å; R36-E430 VanDerWaalsContact NH2-OE1 3.13Å; R36-E430 IonicContact NH2-OE2 2.85Å; R36-E430 PolarHBondContact NH2-OE2 3Å
37G89.8Confident95.3Very high30 Ų3061.6 Ų61.631%0.30931%0.305SS..SBendtrans160.9153.4177.200000112.7S34S34-G37 CarbonylContact C-O 3.6Å; S34-G37 WeakPolarHBondContact CA-O 3.38Å; S34-G37 CarbonylContact O-C 3.49Å; S34-G37 PolarHBondContact O-N 3.11Å
38E94.7Very high95.3Very high146 Ų14661.6 Ų61.668%0.68231%0.305SS*.  trans-63.4146.9179.7-165.1176174.200112.1H40 C51E38-H40 VanDerWaalsContact CD-CE1 3.49Å; E38-H40 IonicContact OE1-CE1 3.58Å; E38-H40 IonicContact OE1-ND1 3.77Å; E38-H40 IonicContact OE2-CE1 3.56Å; E38-C51 WeakPolarHBondContact O-CA 3.35Å
39L97.3Very high95.3Very high30 Ų3061.5 Ų61.516%0.15731%0.305CS..  trans-117.6131.6175.1-61-177.7000110C27 L49 C51C27-L39 HydrophobicContact CB-CD2 3.96Å; L39-L49 HydrophobicContact CB-CB 4.2Å; L39-L49 HydrophobicContact CB-CD1 4.49Å; L39-L49 HydrophobicContact CB-CD2 4.37Å; L39-L49 HydrophobicContact CD1-CB 4.23Å; L39-L49 HydrophobicContact CD1-CD1 4.04Å; L39-C51 HydrophobicContact CD2-CB 3.74Å
40H96.9Very high95.4Very high93 Ų9359.9 Ų59.943%0.43130%0.299SS..EExtended strand (participates in β ladder)trans-107.6138.3179.5-53.8-68.6000111.1E38 L49 F50E38-H40 VanDerWaalsContact CD-CE1 3.49Å; E38-H40 IonicContact OE1-CE1 3.58Å; E38-H40 IonicContact OE1-ND1 3.77Å; E38-H40 IonicContact OE2-CE1 3.56Å; H40-L49 CarbonylContact O-C 3.51Å; H40-L49 WeakPolarHBondContact O-CA 3.36Å; H40-F50 PolarHBondContact N-O 2.94Å; H40-F50 PolarHBondContact O-N 3.29Å
41R97.3Very high95.4Very high153 Ų15360.1 Ų60.158%0.57730%0.301SS*.EExtended strand (participates in β ladder)trans-74.5138.9176.6-70.2172.2-177.6-85.1-4.5110.6S43 K46 A48 L49R41-S43 PolarHBondContact O-N 3.4Å; R41-K46 WeakPolarHBondContact CD-O 3.27Å; R41-K46 PolarHBondContact NH1-O 3.42Å; R41-A48 CarbonylContact C-O 3.6Å; R41-A48 VanDerWaalsContact CA-O 3.3Å; R41-A48 WeakPolarHBondContact CA-O 2.98Å; R41-L49 HydrophobicContact CB-CD2 4.4Å; R41-L49 HydrophobicContact CG-CD2 3.49Å; R41-L49 VanDerWaalsContact CG-CD2 3.49Å
42C97.9Very high95.4Very high3 Ų363.1 Ų63.12%0.0232%0.317CS..  trans-51128167.9173.30000110.3S44 C45 K46 A48 F50 H63C42-S44 PolarHBondContact O-N 3.07Å; C42-C45 VanDerWaalsContact CB-SG 3.58Å; C42-K46 WeakPolarHBondContact O-CA 3.16Å; C42-K46 PolarHBondContact O-N 3.08Å; C42-A48 HydrophobicContact CB-CB 4.2Å; C42-A48 PolarHBondContact N-O 2.64Å; C42-F50 HydrophobicContact CB-CE2 4.13Å; C42-H63 PolarHBondContact SG-NE2 3.37Å
43S95.7Very high95.5Very high84 Ų8465.1 Ų65.159%0.58733%0.332SS*.THydrogen-bonded Turntrans-64-25.4-175.258.80000113.7R41 K46R41-S43 PolarHBondContact O-N 3.4Å; S43-K46 WeakPolarHBondContact O-CD 3.07Å; S43-K46 WeakPolarHBondContact O-CE 3.42Å; S43-K46 PolarHBondContact O-NZ 2.97Å
44S96.1Very high95.7Very high76 Ų7668 Ų6853%0.53135%0.347SS..THydrogen-bonded Turntrans-84.7-64.6178.6-179.20000111.7C42C42-S44 PolarHBondContact O-N 3.07Å
45C97.2Very high95.8Very high0 Ų066.1 Ų66.10%033%0.334CS..THydrogen-bonded Turntrans-78.8-21.3-175.671.30000114.2C42 T47 A48 H63 C67 L70 T71 K74C42-C45 VanDerWaalsContact CB-SG 3.58Å; C45-T47 PolarHBondContact O-N 3.1Å; C45-T47 VanDerWaalsContact O-N 3.09Å; C45-T47 PolarHBondContact O-OG1 3.01Å; C45-T47 PolarHBondContact SG-N 2.92Å; C45-T47 VanDerWaalsContact SG-N 3.41Å; C45-A48 PolarHBondContact SG-N 2.85Å; C45-H63 VanDerWaalsContact SG-CE1 3.53Å; C45-C67 VanDerWaalsContact CB-O 3.27Å; C45-C67 WeakPolarHBondContact CB-O 3.37Å; C45-L70 HydrophobicContact CB-CB 3.87Å; C45-T71 WeakPolarHBondContact CA-OG1 3.49Å; C45-K74 WeakPolarHBondContact O-CE 3.43Å; C45-K74 PolarHBondContact O-NZ 3.31Å
46K96.6Very high96.1Very high110 Ų11060 Ų6048%0.47831%0.308SS..SBendtrans56.914.5-172.3-44.1-61-166-172.90114.9R41 C42 S43R41-K46 WeakPolarHBondContact CD-O 3.27Å; R41-K46 PolarHBondContact NH1-O 3.42Å; C42-K46 WeakPolarHBondContact O-CA 3.16Å; C42-K46 PolarHBondContact O-N 3.08Å; S43-K46 WeakPolarHBondContact O-CD 3.07Å; S43-K46 WeakPolarHBondContact O-CE 3.42Å; S43-K46 PolarHBondContact O-NZ 2.97Å
47T96.8Very high96.6Very high21 Ų2162.1 Ų62.113%0.12932%0.316CS..  trans-111.2-56.3-176.3-55.40000111.6W28 C45 L70 K74 I77W28-T47 HydrophobicContact CH2-CG2 3.97Å; W28-T47 HydrophobicContact CZ2-CG2 4.24Å; C45-T47 PolarHBondContact O-N 3.1Å; C45-T47 VanDerWaalsContact O-N 3.09Å; C45-T47 PolarHBondContact O-OG1 3.01Å; C45-T47 PolarHBondContact SG-N 2.92Å; C45-T47 VanDerWaalsContact SG-N 3.41Å; T47-L70 HydrophobicContact CG2-CD2 4.2Å; T47-K74 WeakPolarHBondContact OG1-CE 3.3Å; T47-I77 HydrophobicContact CG2-CD1 3.45Å; T47-I77 VanDerWaalsContact CG2-CD1 3.45Å; T47-I77 HydrophobicContact CG2-CG1 4.15Å
48A97.6Very high96.8Very high0 Ų063.5 Ų63.50%032%0.316CS..  trans-64.7141.8-178.500000112.4W28 R41 C42 C45 F50 H63W28-A48 HydrophobicContact CD2-CB 3.73Å; W28-A48 HydrophobicContact CE3-CB 3.41Å; W28-A48 VanDerWaalsContact CE3-CB 3.41Å; W28-A48 HydrophobicContact CG-CB 4.33Å; W28-A48 HydrophobicContact CH2-CB 4.27Å; W28-A48 HydrophobicContact CZ3-CB 3.72Å; R41-A48 CarbonylContact C-O 3.6Å; R41-A48 VanDerWaalsContact CA-O 3.3Å; R41-A48 WeakPolarHBondContact CA-O 2.98Å; C42-A48 HydrophobicContact CB-CB 4.2Å; C42-A48 PolarHBondContact N-O 2.64Å; C45-A48 PolarHBondContact SG-N 2.85Å; A48-F50 HydrophobicContact CB-CE2 3.76Å; A48-F50 HydrophobicContact CB-CZ 4.05Å; A48-H63 WeakPolarHBondContact CB-CE1 3.48Å
49L98.1Very high96.8Very high13 Ų1356.8 Ų56.87%0.06829%0.287CS..EExtended strand (participates in β ladder)trans-112.4134-176.7-67.8178.3000112.3L23 C24 C27 W28 L39 H40 R41L23-L49 WeakPolarHBondContact O-CD1 3.33Å; C24-L49 WeakPolarHBondContact O-CD1 3.39Å; C27-L49 CarbonylContact C-O 3.59Å; C27-L49 WeakPolarHBondContact CA-O 3.19Å; W28-L49 WeakPolarHBondContact CB-O 3.39Å; W28-L49 PolarHBondContact N-O 3.33Å; L39-L49 HydrophobicContact CB-CB 4.2Å; L39-L49 HydrophobicContact CB-CD1 4.49Å; L39-L49 HydrophobicContact CB-CD2 4.37Å; L39-L49 HydrophobicContact CD1-CB 4.23Å; L39-L49 HydrophobicContact CD1-CD1 4.04Å; H40-L49 CarbonylContact O-C 3.51Å; H40-L49 WeakPolarHBondContact O-CA 3.36Å; R41-L49 HydrophobicContact CB-CD2 4.4Å; R41-L49 HydrophobicContact CG-CD2 3.49Å; R41-L49 VanDerWaalsContact CG-CD2 3.49Å
50F98.3Very high96.7Very high3 Ų360.7 Ų60.71%0.01330%0.299CS..EExtended strand (participates in β ladder)trans-135.1137.9179-57.7-78.3000111.1W28 H40 C42 A48 N52 C55 Q56 H63W28-F50 HydrophobicContact CB-CE1 4.18Å; W28-F50 HydrophobicContact CB-CZ 4.49Å; H40-F50 PolarHBondContact N-O 2.94Å; H40-F50 PolarHBondContact O-N 3.29Å; C42-F50 HydrophobicContact CB-CE2 4.13Å; A48-F50 HydrophobicContact CB-CE2 3.76Å; A48-F50 HydrophobicContact CB-CZ 4.05Å; F50-N52 VanDerWaalsContact C-N 3.31Å; F50-N52 PolarHBondContact O-N 3.46Å; F50-C55 HydrophobicContact CB-CB 4.42Å; F50-C55 HydrophobicContact CD1-CB 4.39Å; F50-C55 WeakPolarHBondContact CD1-O 3.42Å; F50-Q56 HydrophobicContact CB-CB 4.03Å; F50-Q56 HydrophobicContact CD1-CB 4.23Å; F50-Q56 HydrophobicContact CD2-CB 3.89Å; F50-Q56 HydrophobicContact CD2-CG 3.81Å; F50-Q56 HydrophobicContact CE2-CB 4.41Å; F50-Q56 HydrophobicContact CE2-CG 3.97Å; F50-Q56 HydrophobicContact CG-CB 3.78Å; F50-Q56 HydrophobicContact CG-CG 4.23Å; F50-H63 HydrophobicContact CZ-CB 4.34Å
51C97.3Very high96.4Very high25 Ų2558.2 Ų58.217%0.16929%0.289CS..SBendtrans-77.5-15.6-178.862.80000114.1C27 E38 L39 C55C27-C51 HydrophobicContact CB-CB 4.36Å; E38-C51 WeakPolarHBondContact O-CA 3.35Å; L39-C51 HydrophobicContact CD2-CB 3.74Å; C51-C55 PolarHBondContact SG-SG 3.33Å
52N96.8Very high96.2Very high70 Ų7051.4 Ų51.437%0.37426%0.264SS..SBendtrans-166.5173.917554.944.5000110.8F50 D54 C55 Q56F50-N52 VanDerWaalsContact C-N 3.31Å; F50-N52 PolarHBondContact O-N 3.46Å; N52-D54 VanDerWaalsContact C-N 3.29Å; N52-D54 PolarHBondContact O-N 3.21Å; N52-D54 PolarHBondContact OD1-N 2.78Å; N52-C55 PolarHBondContact O-N 3.17Å; N52-C55 WeakPolarHBondContact OD1-CB 3.19Å; N52-C55 PolarHBondContact OD1-N 3.42Å; N52-C55 PolarHBondContact OD1-SG 3.41Å; N52-C55 VanDerWaalsContact OD1-SG 3.37Å; N52-Q56 PolarHBondContact O-N 3.44Å; N52-Q56 VanDerWaalsContact O-N 3.13Å
53N96.8Very high96.1Very high133 Ų13351.5 Ų51.571%0.71126%0.264SS*.Hα-helixtrans-61.8-33.7179.5-69.6-22.9000113Q56 R57N53-Q56 PolarHBondContact O-N 3.35Å; N53-R57 WeakPolarHBondContact O-CB 3.29Å; N53-R57 PolarHBondContact O-N 2.99Å
54D96.7Very high96Very high89 Ų8954 Ų5448%0.47626%0.264SS..Hα-helixtrans-65.6-43.8177.1-76.9-47000111.9N52 Q56 R57 L58N52-D54 VanDerWaalsContact C-N 3.29Å; N52-D54 PolarHBondContact O-N 3.21Å; N52-D54 PolarHBondContact OD1-N 2.78Å; D54-Q56 VanDerWaalsContact C-N 3.29Å; D54-Q56 PolarHBondContact O-N 3.48Å; D54-R57 PolarHBondContact O-N 3.23Å; D54-R57 IonicContact OD1-CZ 3.67Å; D54-R57 IonicContact OD1-NE 3.97Å; D54-R57 IonicContact OD1-NH2 2.85Å; D54-R57 PolarHBondContact OD1-NH2 3.41Å; D54-L58 WeakPolarHBondContact O-CB 2.96Å; D54-L58 VanDerWaalsContact O-CG 3.27Å; D54-L58 WeakPolarHBondContact O-CG 3.07Å; D54-L58 PolarHBondContact O-N 3.43Å
55C97.2Very high95.9Very high10 Ų1051.9 Ų51.97%0.06825%0.248CC..Hα-helixtrans-64.6-35175.1-72.30000112.1Y29 C30 F50 C51 N52 G59Y29-C55 VanDerWaalsContact CB-O 3.32Å; Y29-C55 WeakPolarHBondContact CB-O 3.47Å; Y29-C55 HydrophobicContact CD1-CB 3.95Å; Y29-C55 HydrophobicContact CG-CB 4.49Å; C30-C55 VanDerWaalsContact SG-SG 3.68Å; F50-C55 HydrophobicContact CB-CB 4.42Å; F50-C55 HydrophobicContact CD1-CB 4.39Å; F50-C55 WeakPolarHBondContact CD1-O 3.42Å; C51-C55 PolarHBondContact SG-SG 3.33Å; N52-C55 PolarHBondContact O-N 3.17Å; N52-C55 WeakPolarHBondContact OD1-CB 3.19Å; N52-C55 PolarHBondContact OD1-N 3.42Å; N52-C55 PolarHBondContact OD1-SG 3.41Å; N52-C55 VanDerWaalsContact OD1-SG 3.37Å; C55-G59 WeakPolarHBondContact O-CA 3.11Å; C55-G59 PolarHBondContact O-N 3.27Å
56Q97.2Very high95.9Very high54 Ų5451.9 Ų51.925%0.25225%0.248SC..Hα-helixtrans-66.2-41.6173.3-174176.7-5.100111.8F50 N52 N53 D54 W60F50-Q56 HydrophobicContact CB-CB 4.03Å; F50-Q56 HydrophobicContact CD1-CB 4.23Å; F50-Q56 HydrophobicContact CD2-CB 3.89Å; F50-Q56 HydrophobicContact CD2-CG 3.81Å; F50-Q56 HydrophobicContact CE2-CB 4.41Å; F50-Q56 HydrophobicContact CE2-CG 3.97Å; F50-Q56 HydrophobicContact CG-CB 3.78Å; F50-Q56 HydrophobicContact CG-CG 4.23Å; N52-Q56 PolarHBondContact O-N 3.44Å; N52-Q56 VanDerWaalsContact O-N 3.13Å; N53-Q56 PolarHBondContact O-N 3.35Å; D54-Q56 VanDerWaalsContact C-N 3.29Å; D54-Q56 PolarHBondContact O-N 3.48Å; Q56-W60 PolarHBondContact O-N 2.84Å; Q56-W60 VanDerWaalsContact O-N 3.14Å
57R95.8Very high95.9Very high161 Ų16146.9 Ų46.961%0.60823%0.227SC*.Hα-helixtrans-65.8-49.3177.5178.517660.289.6-1.1111.9N53 D54 W60N53-R57 WeakPolarHBondContact O-CB 3.29Å; N53-R57 PolarHBondContact O-N 2.99Å; D54-R57 PolarHBondContact O-N 3.23Å; D54-R57 IonicContact OD1-CZ 3.67Å; D54-R57 IonicContact OD1-NE 3.97Å; D54-R57 IonicContact OD1-NH2 2.85Å; D54-R57 PolarHBondContact OD1-NH2 3.41Å; R57-W60 WeakPolarHBondContact O-CB 3.44Å; R57-W60 PolarHBondContact O-N 2.78Å
58L94.3Very high95.9Very high59 Ų5951.5 Ų51.531%0.30925%0.247SC..Hα-helixtrans-68.8-40.5179.8-66166.5000111.6Y29 D54 W60Y29-L58 HydrophobicContact CD1-CB 3.92Å; Y29-L58 HydrophobicContact CD1-CD1 4.39Å; Y29-L58 HydrophobicContact CD2-CB 4.17Å; Y29-L58 HydrophobicContact CE1-CB 3.43Å; Y29-L58 VanDerWaalsContact CE1-CB 3.43Å; Y29-L58 HydrophobicContact CE1-CD1 3.51Å; Y29-L58 HydrophobicContact CE1-CG 4.1Å; Y29-L58 HydrophobicContact CE2-CB 3.7Å; Y29-L58 HydrophobicContact CG-CB 4.26Å; D54-L58 WeakPolarHBondContact O-CB 2.96Å; D54-L58 VanDerWaalsContact O-CG 3.27Å; D54-L58 WeakPolarHBondContact O-CG 3.07Å; D54-L58 PolarHBondContact O-N 3.43Å; L58-W60 PolarHBondContact O-N 2.87Å
59G94.8Very high95.9Very high6 Ų652 Ų526%0.06225%0.25CS..THydrogen-bonded Turntrans-68.6-10.6174.700000114.3Y29 C55 M61 D62 H63Y29-G59 VanDerWaalsContact CD2-CA 3.49Å; C55-G59 WeakPolarHBondContact O-CA 3.11Å; C55-G59 PolarHBondContact O-N 3.27Å; G59-M61 PolarHBondContact O-N 3.45Å; G59-D62 PolarHBondContact O-N 3.27Å; G59-H63 VanDerWaalsContact O-CB 3.24Å; G59-H63 WeakPolarHBondContact O-CB 3.16Å; G59-H63 PolarHBondContact O-N 2.71Å
60W95Very high95.8Very high111 Ų11151.5 Ų51.542%0.4225%0.248SC..Hα-helixtrans-61.4-28.1179.9-169.8-122.1000112.7Q56 R57 L58 D62 H63 K64 C67Q56-W60 PolarHBondContact O-N 2.84Å; Q56-W60 VanDerWaalsContact O-N 3.14Å; R57-W60 WeakPolarHBondContact O-CB 3.44Å; R57-W60 PolarHBondContact O-N 2.78Å; L58-W60 PolarHBondContact O-N 2.87Å; W60-D62 VanDerWaalsContact C-N 3.31Å; W60-D62 PolarHBondContact O-N 2.82Å; W60-H63 HydrophobicContact CE3-CB 4.36Å; W60-H63 AromaticContact CE3-CD2 3.78Å; W60-H63 AromaticContact CZ3-CD2 3.66Å; W60-H63 PolarHBondContact O-N 2.85Å; W60-K64 HydrophobicContact CD2-CB 3.91Å; W60-K64 HydrophobicContact CE3-CB 4.4Å; W60-K64 HydrophobicContact CG-CB 4.29Å; W60-K64 HydrophobicContact CH2-CB 4.46Å; W60-K64 HydrophobicContact CZ2-CB 3.98Å; W60-K64 HydrophobicContact CZ2-CD 4.48Å; W60-K64 HydrophobicContact CZ2-CG 3.86Å; W60-K64 WeakPolarHBondContact O-CB 3.34Å; W60-K64 PolarHBondContact O-N 3.41Å; W60-C67 HydrophobicContact CH2-CB 4.42Å; W60-C67 HydrophobicContact CZ3-CB 4.2Å
61M91Very high95.8Very high42 Ų4254.1 Ų54.121%0.20726%0.264CS..Hα-helixtrans-54-47.3178.5-179171.560.200112.3G59 R91 F106G59-M61 PolarHBondContact O-N 3.45Å; M61-R91 VanDerWaalsContact CE-CZ 3.49Å; M61-R91 VanDerWaalsContact CE-NH2 3.32Å; M61-F106 HydrophobicContact SD-CD2 4.43Å
62D93.1Very high95.7Very high10 Ų1058.6 Ų58.65%0.05329%0.285CS..Hα-helixtrans-88-41.2177.2-64.2-40.8000111.2G59 W60 K64 T65 R87 R91G59-D62 PolarHBondContact O-N 3.27Å; W60-D62 VanDerWaalsContact C-N 3.31Å; W60-D62 PolarHBondContact O-N 2.82Å; D62-K64 VanDerWaalsContact C-N 3.3Å; D62-K64 PolarHBondContact O-N 2.93Å; D62-T65 PolarHBondContact O-N 3.09Å; D62-T65 PolarHBondContact O-OG1 3.2Å; D62-R87 HydrophobicContact CB-CG 4.11Å; D62-R91 VanDerWaalsContact CG-NH2 3.28Å; D62-R91 IonicContact OD1-CZ 3.93Å; D62-R91 IonicContact OD1-NE 2.85Å; D62-R91 PolarHBondContact OD1-NE 2.78Å; D62-R91 VanDerWaalsContact OD1-NE 3.08Å; D62-R91 IonicContact OD1-NH2 3.98Å; D62-R91 PolarHBondContact OD1-NH2 2.98Å; D62-R91 IonicContact OD2-CZ 3.43Å; D62-R91 IonicContact OD2-NH2 2.92Å; D62-R91 PolarHBondContact OD2-NH2 3.19Å
63H95.8Very high95.6Very high4 Ų456 Ų562%0.01927%0.272CS..Hα-helixtrans-65.3-30.9-175.5-174.850000113C42 C45 A48 F50 G59 W60 T65 E66 C67C42-H63 PolarHBondContact SG-NE2 3.37Å; C45-H63 VanDerWaalsContact SG-CE1 3.53Å; A48-H63 WeakPolarHBondContact CB-CE1 3.48Å; F50-H63 HydrophobicContact CZ-CB 4.34Å; G59-H63 VanDerWaalsContact O-CB 3.24Å; G59-H63 WeakPolarHBondContact O-CB 3.16Å; G59-H63 PolarHBondContact O-N 2.71Å; W60-H63 HydrophobicContact CE3-CB 4.36Å; W60-H63 AromaticContact CE3-CD2 3.78Å; W60-H63 AromaticContact CZ3-CD2 3.66Å; W60-H63 PolarHBondContact O-N 2.85Å; H63-T65 PolarHBondContact O-N 2.64Å; H63-E66 CarbonylContact O-C 3.5Å; H63-E66 PolarHBondContact O-N 3.24Å; H63-C67 WeakPolarHBondContact NE2-CB 3.43Å; H63-C67 PolarHBondContact NE2-SG 2.68Å; H63-C67 VanDerWaalsContact NE2-SG 3.41Å; H63-C67 WeakPolarHBondContact O-CB 3.44Å; H63-C67 PolarHBondContact O-N 3.28Å
64K94.6Very high95.4Very high137 Ų13754.3 Ų54.360%0.59626%0.258SS*.Hα-helixtrans-55.2-39.3-178.2178.4179-177.1178.10112.7W60 D62 E66W60-K64 HydrophobicContact CD2-CB 3.91Å; W60-K64 HydrophobicContact CE3-CB 4.4Å; W60-K64 HydrophobicContact CG-CB 4.29Å; W60-K64 HydrophobicContact CH2-CB 4.46Å; W60-K64 HydrophobicContact CZ2-CB 3.98Å; W60-K64 HydrophobicContact CZ2-CD 4.48Å; W60-K64 HydrophobicContact CZ2-CG 3.86Å; W60-K64 WeakPolarHBondContact O-CB 3.34Å; W60-K64 PolarHBondContact O-N 3.41Å; D62-K64 VanDerWaalsContact C-N 3.3Å; D62-K64 PolarHBondContact O-N 2.93Å; K64-E66 VanDerWaalsContact C-N 3.32Å
65T93.2Very high95.3Very high32 Ų3256.4 Ų56.420%0.19628%0.277CS..Hα-helixtrans-75.9-22.8-18043.30000113.2D62 H63 A90D62-T65 PolarHBondContact O-N 3.09Å; D62-T65 PolarHBondContact O-OG1 3.2Å; H63-T65 PolarHBondContact O-N 2.64Å; T65-A90 HydrophobicContact CG2-CB 4.27Å
66E96.5Very high95.3Very high0 Ų059.5 Ų59.50%029%0.287CS..Hα-helixtrans-99.6-30.6-174.6-57.6176.7163.600112.7H63 K64 H68 S69 L70 R87 F146 Y147H63-E66 CarbonylContact O-C 3.5Å; H63-E66 PolarHBondContact O-N 3.24Å; K64-E66 VanDerWaalsContact C-N 3.32Å; E66-H68 PolarHBondContact O-N 3.44Å; E66-S69 WeakPolarHBondContact O-CB 2.94Å; E66-S69 PolarHBondContact O-N 3.35Å; E66-L70 HydrophobicContact CB-CD1 4.13Å; E66-L70 WeakPolarHBondContact O-CG 3.41Å; E66-L70 PolarHBondContact O-N 3.34Å; E66-R87 WeakPolarHBondContact OE1-CG 3.2Å; E66-R87 IonicContact OE1-CZ 3.52Å; E66-R87 IonicContact OE1-NE 2.86Å; E66-R87 PolarHBondContact OE1-NE 2.81Å; E66-R87 IonicContact OE1-NH2 2.73Å; E66-R87 PolarHBondContact OE1-NH2 3.01Å; E66-R87 IonicContact OE2-CZ 3.08Å; E66-R87 IonicContact OE2-NE 3.7Å; E66-R87 IonicContact OE2-NH2 3.44Å; E66-R87 PolarHBondContact OE2-NH2 3.25Å; E66-F146 HydrophobicContact CB-CE1 4.01Å; E66-F146 HydrophobicContact CB-CZ 4.08Å; E66-F146 HydrophobicContact CG-CE1 3.96Å; E66-F146 HydrophobicContact CG-CZ 4.49Å; E66-Y147 HydrophobicContact CG-CE1 4.05Å; E66-Y147 PolarHBondContact OE1-OH 3.24Å
67C97.7Very high95.3Very high5 Ų559.6 Ų59.63%0.03429%0.289CS..Hα-helixtrans-54.9-49.1-166.1-177.30000113.4C45 W60 H63 L70 T71C45-C67 VanDerWaalsContact CB-O 3.27Å; C45-C67 WeakPolarHBondContact CB-O 3.37Å; W60-C67 HydrophobicContact CH2-CB 4.42Å; W60-C67 HydrophobicContact CZ3-CB 4.2Å; H63-C67 WeakPolarHBondContact NE2-CB 3.43Å; H63-C67 PolarHBondContact NE2-SG 2.68Å; H63-C67 VanDerWaalsContact NE2-SG 3.41Å; H63-C67 WeakPolarHBondContact O-CB 3.44Å; H63-C67 PolarHBondContact O-N 3.28Å; C67-L70 PolarHBondContact O-N 3.14Å; C67-T71 PolarHBondContact O-N 3.31Å; C67-T71 PolarHBondContact O-OG1 2.96Å
68H96.3Very high95.4Very high118 Ų11852 Ų5255%0.54626%0.26SS..Hα-helixtrans-65.4-41.6179.8-179.667.5000111.9E66 L70 T71 I72E66-H68 PolarHBondContact O-N 3.44Å; H68-L70 VanDerWaalsContact C-N 3.35Å; H68-L70 PolarHBondContact O-N 2.71Å; H68-T71 VanDerWaalsContact O-CB 3.31Å; H68-T71 WeakPolarHBondContact O-CB 3.41Å; H68-T71 PolarHBondContact O-N 2.73Å; H68-T71 VanDerWaalsContact O-N 3.07Å; H68-I72 WeakPolarHBondContact NE2-CD1 3.37Å; H68-I72 PolarHBondContact O-N 2.61Å; H68-I72 VanDerWaalsContact O-N 3.16Å
69S97Very high95.6Very high11 Ų1152.2 Ų52.28%0.07726%0.262CS..Hα-helixtrans-66.1-37.8179-55.90000112E66 T71 I72 C73 F146E66-S69 WeakPolarHBondContact O-CB 2.94Å; E66-S69 PolarHBondContact O-N 3.35Å; S69-T71 PolarHBondContact O-N 2.86Å; S69-I72 PolarHBondContact O-N 3.07Å; S69-I72 VanDerWaalsContact O-N 3.16Å; S69-C73 WeakPolarHBondContact O-CB 3.46Å; S69-C73 PolarHBondContact O-N 3.34Å; S69-C73 PolarHBondContact O-SG 3.32Å; S69-C73 VanDerWaalsContact O-SG 3.39Å; S69-F146 WeakPolarHBondContact CB-O 3.47Å; S69-F146 PolarHBondContact OG-O 2.99Å
70L97.6Very high95.8Very high2 Ų252.4 Ų52.41%0.0126%0.261CS..Hα-helixtrans-59.7-24.5172.1-71.9166.2000113W28 C45 T47 E66 C67 H68 K74 I77 F146W28-L70 HydrophobicContact CH2-CD1 4.24Å; W28-L70 HydrophobicContact CH2-CD2 4.41Å; W28-L70 HydrophobicContact CZ3-CD1 3.83Å; C45-L70 HydrophobicContact CB-CB 3.87Å; T47-L70 HydrophobicContact CG2-CD2 4.2Å; E66-L70 HydrophobicContact CB-CD1 4.13Å; E66-L70 WeakPolarHBondContact O-CG 3.41Å; E66-L70 PolarHBondContact O-N 3.34Å; C67-L70 PolarHBondContact O-N 3.14Å; H68-L70 VanDerWaalsContact C-N 3.35Å; H68-L70 PolarHBondContact O-N 2.71Å; L70-K74 WeakPolarHBondContact O-CG 3.23Å; L70-I77 HydrophobicContact CD2-CG1 4.32Å; L70-I77 HydrophobicContact CD2-CG2 4.18Å; L70-F146 HydrophobicContact CD2-CE2 3.85Å; L70-F146 HydrophobicContact CD2-CZ 3.7Å; L70-F146 HydrophobicContact CG-CE2 4.03Å; L70-F146 HydrophobicContact CG-CZ 3.75Å
71T97.1Very high95.9Very high58 Ų5848.5 Ų48.536%0.35625%0.248SC..Hα-helixtrans-78.6-48.7172.4-55.30000111.4C45 C67 H68 S69C45-T71 WeakPolarHBondContact CA-OG1 3.49Å; C67-T71 PolarHBondContact O-N 3.31Å; C67-T71 PolarHBondContact O-OG1 2.96Å; H68-T71 VanDerWaalsContact O-CB 3.31Å; H68-T71 WeakPolarHBondContact O-CB 3.41Å; H68-T71 PolarHBondContact O-N 2.73Å; H68-T71 VanDerWaalsContact O-N 3.07Å; S69-T71 PolarHBondContact O-N 2.86Å
72I95.5Very high96.3Very high118 Ų11846.6 Ų46.661%0.60524%0.238SC*.Hα-helixtrans-67.2-39.4-176.7-68.5176.4000111.6H68 S69 K74H68-I72 WeakPolarHBondContact NE2-CD1 3.37Å; H68-I72 PolarHBondContact O-N 2.61Å; H68-I72 VanDerWaalsContact O-N 3.16Å; S69-I72 PolarHBondContact O-N 3.07Å; S69-I72 VanDerWaalsContact O-N 3.16Å; I72-K74 VanDerWaalsContact C-N 3.3Å; I72-K74 PolarHBondContact O-N 2.9Å
73C95.1Very high96.5Very high16 Ų1646.2 Ų46.211%0.10824%0.236CC..THydrogen-bonded Turntrans-81.9-2.8-172.6-71.50000114.2S69 W76 F146S69-C73 WeakPolarHBondContact O-CB 3.46Å; S69-C73 PolarHBondContact O-N 3.34Å; S69-C73 PolarHBondContact O-SG 3.32Å; S69-C73 VanDerWaalsContact O-SG 3.39Å; C73-W76 HydrophobicContact CB-CE3 3.74Å; C73-W76 HydrophobicContact CB-CZ3 4.31Å; C73-W76 WeakPolarHBondContact O-CA 3.38Å; C73-W76 VanDerWaalsContact O-CB 3.28Å; C73-W76 WeakPolarHBondContact O-CB 3.33Å; C73-W76 PolarHBondContact O-N 3.16Å; C73-F146 HydrophobicContact CB-CD2 4.43Å
74K93.2Very high96.6Very high97 Ų9746 Ų4642%0.42224%0.235SC..THydrogen-bonded Turntrans-53.6140.6-175.9-72.2-170.1178.4175.10112.6C45 T47 L70 I72 W76C45-K74 WeakPolarHBondContact O-CE 3.43Å; C45-K74 PolarHBondContact O-NZ 3.31Å; T47-K74 WeakPolarHBondContact OG1-CE 3.3Å; L70-K74 WeakPolarHBondContact O-CG 3.23Å; I72-K74 VanDerWaalsContact C-N 3.3Å; I72-K74 PolarHBondContact O-N 2.9Å; K74-W76 VanDerWaalsContact C-N 3.34Å
75P94.5Very high96.8Very high133 Ų13339.5 Ų39.586%0.86421%0.207SC*.THydrogen-bonded Turncis-84.82.70.335.1-36.3000114.1I77P75-I77 PolarHBondContact O-N 3.23Å
76W97.1Very high97.1Very high75 Ų7538 Ų3828%0.28420%0.198SC..  trans-71.5125.8-175.8176.166.5000112C73 K74 P78 A142 R145 F146C73-W76 HydrophobicContact CB-CE3 3.74Å; C73-W76 HydrophobicContact CB-CZ3 4.31Å; C73-W76 WeakPolarHBondContact O-CA 3.38Å; C73-W76 VanDerWaalsContact O-CB 3.28Å; C73-W76 WeakPolarHBondContact O-CB 3.33Å; C73-W76 PolarHBondContact O-N 3.16Å; K74-W76 VanDerWaalsContact C-N 3.34Å; W76-P78 HydrophobicContact CH2-CB 4.09Å; W76-P78 HydrophobicContact CH2-CG 3.64Å; W76-P78 HydrophobicContact CZ2-CB 3.8Å; W76-P78 HydrophobicContact CZ2-CG 3.79Å; W76-P78 HydrophobicContact CZ3-CG 4.07Å; W76-A142 HydrophobicContact CH2-CB 4.3Å; W76-A142 HydrophobicContact CZ2-CB 4.18Å; W76-R145 HydrophobicContact CH2-CB 4.34Å; W76-R145 HydrophobicContact CH2-CG 4.22Å; W76-R145 HydrophobicContact CZ3-CB 4.37Å; W76-R145 HydrophobicContact CZ3-CG 3.82Å; W76-F146 HydrophobicContact CH2-CB 4.01Å; W76-F146 HydrophobicContact CZ3-CB 4.02Å; W76-F146 HydrophobicContact CZ3-CD2 4.16Å
77I97.4Very high97.1Very high56 Ų5638.5 Ų38.529%0.28720%0.2SC..  trans-114.6128.5166.9-55.2174.3000106L23 T47 L70 P75L23-I77 HydrophobicContact CD1-CD1 4.18Å; L23-I77 HydrophobicContact CD1-CG2 3.89Å; T47-I77 HydrophobicContact CG2-CD1 3.45Å; T47-I77 VanDerWaalsContact CG2-CD1 3.45Å; T47-I77 HydrophobicContact CG2-CG1 4.15Å; L70-I77 HydrophobicContact CD2-CG1 4.32Å; L70-I77 HydrophobicContact CD2-CG2 4.18Å; P75-I77 PolarHBondContact O-N 3.23Å
78P97.6Very high97.1Very high1 Ų138.2 Ų38.21%0.00620%0.198CC..  trans-62.2153.2175.3-13.422.9000111.8W76 V82 R83 F146W76-P78 HydrophobicContact CH2-CB 4.09Å; W76-P78 HydrophobicContact CH2-CG 3.64Å; W76-P78 HydrophobicContact CZ2-CB 3.8Å; W76-P78 HydrophobicContact CZ2-CG 3.79Å; W76-P78 HydrophobicContact CZ3-CG 4.07Å; P78-V82 HydrophobicContact CB-CB 3.66Å; P78-V82 HydrophobicContact CB-CG1 3.53Å; P78-V82 HydrophobicContact CB-CG2 4.33Å; P78-V82 HydrophobicContact CG-CG1 4.17Å; P78-R83 HydrophobicContact CB-CG 4.31Å; P78-R83 WeakPolarHBondContact O-CD 3.26Å; P78-R83 PolarHBondContact O-NE 2.96Å; P78-F146 HydrophobicContact CG-CB 3.74Å; P78-F146 HydrophobicContact CG-CD1 3.66Å; P78-F146 HydrophobicContact CG-CD2 3.41Å; P78-F146 VanDerWaalsContact CG-CD2 3.41Å; P78-F146 HydrophobicContact CG-CE1 4.01Å; P78-F146 HydrophobicContact CG-CE2 3.8Å; P78-F146 HydrophobicContact CG-CG 3.32Å; P78-F146 HydrophobicContact CG-CZ 4.07Å
79D97.9Very high97.2Very high65 Ų6532.6 Ų32.635%0.34817%0.172SC..  trans-62.5170.5175.666.341.6000112.6D20 E81 V82 R83D20-D79 VanDerWaalsContact OD1-CA 3.25Å; D20-D79 WeakPolarHBondContact OD1-CA 3.47Å; D20-D79 WeakPolarHBondContact OD2-CA 3.27Å; D20-D79 WeakPolarHBondContact OD2-CB 3.46Å; D79-E81 VanDerWaalsContact C-N 3.26Å; D79-E81 PolarHBondContact O-N 2.83Å; D79-E81 WeakPolarHBondContact OD1-CA 3.37Å; D79-E81 WeakPolarHBondContact OD1-CB 3.44Å; D79-E81 PolarHBondContact OD1-N 3.01Å; D79-V82 PolarHBondContact O-N 2.63Å; D79-V82 WeakPolarHBondContact OD1-CG2 3.18Å; D79-V82 PolarHBondContact OD1-N 3.13Å; D79-R83 PolarHBondContact O-N 3.19Å
80I98.2Very high97.1Very high9 Ų932.6 Ų32.65%0.04617%0.172CC..Hα-helixtrans-58.4-35.2179.1-170.8172.7000113.4A17 L18 L19 D20 V82 R83 L84 K183A17-I80 HydrophobicContact CB-CG1 4.06Å; A17-I80 WeakPolarHBondContact O-CD1 3.3Å; L18-I80 WeakPolarHBondContact O-CD1 3.32Å; L19-I80 HydrophobicContact CD2-CD1 3.72Å; L19-I80 HydrophobicContact CD2-CG2 4.26Å; L19-I80 HydrophobicContact CG-CD1 4.19Å; D20-I80 PolarHBondContact OD1-N 3.48Å; I80-V82 VanDerWaalsContact C-N 3.33Å; I80-V82 PolarHBondContact O-N 2.88Å; I80-R83 PolarHBondContact O-N 3.28Å; I80-L84 WeakPolarHBondContact O-CB 3.46Å; I80-L84 PolarHBondContact O-N 2.89Å; I80-K183 HydrophobicContact CD1-CB 3.73Å; I80-K183 HydrophobicContact CD1-CD 3.93Å; I80-K183 HydrophobicContact CD1-CG 3.63Å
81E98.2Very high97Very high30 Ų3032.9 Ų32.914%0.1417%0.173CC..Hα-helixtrans-67.1-39.2-177.2-60.3-65.515400110D79 L85 I139 R169 K183D79-E81 VanDerWaalsContact C-N 3.26Å; D79-E81 PolarHBondContact O-N 2.83Å; D79-E81 WeakPolarHBondContact OD1-CA 3.37Å; D79-E81 WeakPolarHBondContact OD1-CB 3.44Å; D79-E81 PolarHBondContact OD1-N 3.01Å; E81-L85 WeakPolarHBondContact O-CB 3.31Å; E81-L85 PolarHBondContact O-N 3.44Å; E81-L85 VanDerWaalsContact O-N 3.16Å; E81-I139 HydrophobicContact CB-CD1 4.12Å; E81-I139 HydrophobicContact CB-CG1 4.46Å; E81-R169 IonicContact OE1-CZ 3.4Å; E81-R169 IonicContact OE1-NE 2.66Å; E81-R169 PolarHBondContact OE1-NE 2.82Å; E81-R169 IonicContact OE1-NH2 3.43Å; E81-R169 PolarHBondContact OE1-NH2 3.46Å; E81-R169 VanDerWaalsContact OE1-NH2 3.07Å; E81-R169 IonicContact OE2-CZ 2.94Å; E81-R169 IonicContact OE2-NE 3.59Å; E81-R169 PolarHBondContact OE2-NE 2.74Å; E81-R169 IonicContact OE2-NH2 2.86Å; E81-R169 PolarHBondContact OE2-NH2 2.73Å; E81-K183 IonicContact OE1-NZ 3.73Å; E81-K183 PolarHBondContact OE1-NZ 3.37Å
82V98.4Very high96.9Very high1 Ų131.1 Ų31.11%0.00616%0.161CC..Hα-helixtrans-70.4-46.8174.3177.90000111.6P78 D79 I80 G86 I139 A142 L143P78-V82 HydrophobicContact CB-CB 3.66Å; P78-V82 HydrophobicContact CB-CG1 3.53Å; P78-V82 HydrophobicContact CB-CG2 4.33Å; P78-V82 HydrophobicContact CG-CG1 4.17Å; D79-V82 PolarHBondContact O-N 2.63Å; D79-V82 WeakPolarHBondContact OD1-CG2 3.18Å; D79-V82 PolarHBondContact OD1-N 3.13Å; I80-V82 VanDerWaalsContact C-N 3.33Å; I80-V82 PolarHBondContact O-N 2.88Å; V82-G86 PolarHBondContact O-N 3.5Å; V82-I139 HydrophobicContact CG2-CG2 4.17Å; V82-A142 HydrophobicContact CB-CB 4.48Å; V82-A142 HydrophobicContact CG1-CB 4.13Å; V82-A142 HydrophobicContact CG2-CB 3.53Å; V82-L143 HydrophobicContact CG1-CD2 3.87Å; V82-L143 HydrophobicContact CG1-CG 4.06Å; V82-L143 WeakPolarHBondContact O-CD2 3.22Å
83R98.1Very high96.9Very high2 Ų226.8 Ų26.81%0.00814%0.139CC..Hα-helixtrans-63.7-48.1-177.9-72.9-177.6-69.9105.5-2111.5A17 L18 D20 P78 D79 I80 G86 R87 Y147A17-R83 HydrophobicContact CB-CB 4.39Å; L18-R83 VanDerWaalsContact O-CZ 3.27Å; L18-R83 PolarHBondContact O-NH1 3.31Å; L18-R83 PolarHBondContact O-NH2 3.46Å; D20-R83 IonicContact OD1-CZ 2.78Å; D20-R83 IonicContact OD1-NE 2.68Å; D20-R83 IonicContact OD1-NH2 3.8Å; D20-R83 PolarHBondContact OD1-NH2 3.39Å; P78-R83 HydrophobicContact CB-CG 4.31Å; P78-R83 WeakPolarHBondContact O-CD 3.26Å; P78-R83 PolarHBondContact O-NE 2.96Å; D79-R83 PolarHBondContact O-N 3.19Å; I80-R83 PolarHBondContact O-N 3.28Å; R83-G86 PolarHBondContact O-N 2.87Å; R83-R87 WeakPolarHBondContact O-CG 2.99Å; R83-R87 PolarHBondContact O-N 3.29Å; R83-R87 VanDerWaalsContact O-N 3.11Å; R83-Y147 PolarHBondContact O-OH 2.83Å
84L98.5Very high96.8Very high1 Ų127.1 Ų27.11%0.00514%0.138CC..Hα-helixtrans-64.1-49.9179.4-179.957.6000111.6A15 A17 I80 G86 R87 I88 R169 K183A15-L84 HydrophobicContact CB-CD1 3.97Å; A17-L84 HydrophobicContact CB-CB 4.07Å; I80-L84 WeakPolarHBondContact O-CB 3.46Å; I80-L84 PolarHBondContact O-N 2.89Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 3.37Å; L84-R87 PolarHBondContact O-N 2.95Å; L84-I88 HydrophobicContact CD1-CD1 4.13Å; L84-I88 HydrophobicContact CD1-CG1 4.42Å; L84-I88 HydrophobicContact CG-CD1 3.98Å; L84-I88 WeakPolarHBondContact O-CG1 2.95Å; L84-I88 PolarHBondContact O-N 3.06Å; L84-R169 HydrophobicContact CD2-CB 4.47Å; L84-K183 HydrophobicContact CD2-CB 3.86Å
85L98.5Very high96.9Very high0 Ų024.3 Ų24.30%013%0.128CC..Hα-helixtrans-60.7-40.3179.8-178.956.8000111.5E81 R87 I88 V89 I139 L143 I158 I161 H162E81-L85 WeakPolarHBondContact O-CB 3.31Å; E81-L85 PolarHBondContact O-N 3.44Å; E81-L85 VanDerWaalsContact O-N 3.16Å; L85-R87 PolarHBondContact O-N 3.23Å; L85-I88 PolarHBondContact O-N 3.48Å; L85-V89 HydrophobicContact CD1-CG2 4.19Å; L85-V89 HydrophobicContact CG-CG2 4.4Å; L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.22Å; L85-V89 PolarHBondContact O-N 3.11Å; L85-I139 HydrophobicContact CD2-CG2 3.77Å; L85-L143 HydrophobicContact CD2-CD1 3.66Å; L85-L143 HydrophobicContact CG-CD1 3.95Å; L85-I158 HydrophobicContact CD2-CG2 4.29Å; L85-I161 HydrophobicContact CD1-CB 4.44Å; L85-I161 HydrophobicContact CD1-CG2 3.71Å; L85-H162 HydrophobicContact CD1-CB 4.16Å; L85-H162 HydrophobicContact CD2-CB 3.82Å
86G98.1Very high96.8Very high0 Ų023.6 Ų23.60%011%0.113CC..Hα-helixtrans-62.9-39.8177.100000113.5V82 R83 L84 V89 A90 Y147V82-G86 PolarHBondContact O-N 3.5Å; R83-G86 PolarHBondContact O-N 2.87Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 3.37Å; G86-V89 PolarHBondContact O-N 3.34Å; G86-A90 VanDerWaalsContact O-CB 3.27Å; G86-A90 WeakPolarHBondContact O-CB 3.5Å; G86-A90 PolarHBondContact O-N 3.05Å; G86-Y147 VanDerWaalsContact CA-CZ 3.49Å
87R97.3Very high96.7Very high10 Ų1026.2 Ų26.24%0.03813%0.126CC..Hα-helixtrans-62.4-43.7172.8-69.9173.7-174.6-154.5-7.9111.6A15 Y16 D62 E66 R83 L84 L85 A90 R91 Y147A15-R87 HydrophobicContact CB-CB 4.11Å; Y16-R87 VanDerWaalsContact O-CD 3.31Å; Y16-R87 WeakPolarHBondContact O-CD 3.31Å; Y16-R87 PolarHBondContact O-NH1 2.78Å; D62-R87 HydrophobicContact CB-CG 4.11Å; E66-R87 WeakPolarHBondContact OE1-CG 3.2Å; E66-R87 IonicContact OE1-CZ 3.52Å; E66-R87 IonicContact OE1-NE 2.86Å; E66-R87 PolarHBondContact OE1-NE 2.81Å; E66-R87 IonicContact OE1-NH2 2.73Å; E66-R87 PolarHBondContact OE1-NH2 3.01Å; E66-R87 IonicContact OE2-CZ 3.08Å; E66-R87 IonicContact OE2-NE 3.7Å; E66-R87 IonicContact OE2-NH2 3.44Å; E66-R87 PolarHBondContact OE2-NH2 3.25Å; R83-R87 WeakPolarHBondContact O-CG 2.99Å; R83-R87 PolarHBondContact O-N 3.29Å; R83-R87 VanDerWaalsContact O-N 3.11Å; L84-R87 PolarHBondContact O-N 2.95Å; L85-R87 PolarHBondContact O-N 3.23Å; R87-A90 PolarHBondContact O-N 2.97Å; R87-R91 WeakPolarHBondContact O-CG 3.4Å; R87-R91 PolarHBondContact O-N 3.28Å; R87-Y147 PolarHBondContact N-OH 3.11Å
88I97.8Very high96.4Very high0 Ų024.6 Ų24.60%012%0.123CC..Hα-helixtrans-62.3-47.6177.7-63.9166.4000110.5F14 A15 L84 L85 A90 R91 Q92 L116 I161 N165 L185F14-I88 HydrophobicContact CD1-CG1 4.45Å; F14-I88 HydrophobicContact CD1-CG2 4.36Å; F14-I88 HydrophobicContact CE1-CB 4.45Å; F14-I88 HydrophobicContact CE1-CG2 3.95Å; A15-I88 HydrophobicContact CB-CG1 3.55Å; L84-I88 HydrophobicContact CD1-CD1 4.13Å; L84-I88 HydrophobicContact CD1-CG1 4.42Å; L84-I88 HydrophobicContact CG-CD1 3.98Å; L84-I88 WeakPolarHBondContact O-CG1 2.95Å; L84-I88 PolarHBondContact O-N 3.06Å; L85-I88 PolarHBondContact O-N 3.48Å; I88-A90 PolarHBondContact O-N 3.19Å; I88-R91 PolarHBondContact O-N 2.74Å; I88-Q92 PolarHBondContact O-N 2.58Å; I88-L116 HydrophobicContact CG2-CD1 3.99Å; I88-L116 HydrophobicContact CG2-CD2 3.61Å; I88-L116 HydrophobicContact CG2-CG 4.49Å; I88-I161 HydrophobicContact CB-CG2 4.28Å; I88-I161 HydrophobicContact CG2-CG2 3.38Å; I88-N165 HydrophobicContact CD1-CB 3.85Å; I88-N165 WeakPolarHBondContact CD1-OD1 3.24Å; I88-L185 HydrophobicContact CD1-CB 4.13Å; I88-L185 HydrophobicContact CD1-CD2 3.87Å; I88-L185 HydrophobicContact CG1-CD2 4.33Å; I88-L185 HydrophobicContact CG2-CD2 4.41Å
89V97.8Very high96.2Very high0 Ų028.1 Ų28.10%014%0.139CC..Hα-helixtrans-61.3-44.9177.11710000111L85 G86 R91 Q92 M93 L152 L153 I158 I161L85-V89 HydrophobicContact CD1-CG2 4.19Å; L85-V89 HydrophobicContact CG-CG2 4.4Å; L85-V89 VanDerWaalsContact O-CG2 3.31Å; L85-V89 WeakPolarHBondContact O-CG2 3.22Å; L85-V89 PolarHBondContact O-N 3.11Å; G86-V89 PolarHBondContact O-N 3.34Å; V89-R91 VanDerWaalsContact C-N 3.31Å; V89-R91 PolarHBondContact O-N 2.85Å; V89-Q92 PolarHBondContact O-N 2.94Å; V89-M93 HydrophobicContact CG1-SD 4.44Å; V89-M93 WeakPolarHBondContact O-CG 3.16Å; V89-M93 PolarHBondContact O-N 3.21Å; V89-L152 HydrophobicContact CG1-CD2 3.91Å; V89-L153 HydrophobicContact CG1-CB 4.32Å; V89-L153 HydrophobicContact CG1-CD1 4.1Å; V89-L153 HydrophobicContact CG1-CG 4.02Å; V89-I158 HydrophobicContact CG1-CG1 4.29Å; V89-I158 HydrophobicContact CG2-CG1 4.07Å; V89-I158 HydrophobicContact CG2-CG2 4.4Å; V89-I161 HydrophobicContact CG2-CD1 4.1Å; V89-I161 HydrophobicContact CG2-CG2 4.27Å
90A95.7Very high95.8Very high10 Ų1026.1 Ų26.18%0.08313%0.129CC..Hα-helixtrans-62.6-36.3178.300000112.6T65 G86 R87 I88 Q94T65-A90 HydrophobicContact CG2-CB 4.27Å; G86-A90 VanDerWaalsContact O-CB 3.27Å; G86-A90 WeakPolarHBondContact O-CB 3.5Å; G86-A90 PolarHBondContact O-N 3.05Å; R87-A90 PolarHBondContact O-N 2.97Å; I88-A90 PolarHBondContact O-N 3.19Å; A90-Q94 WeakPolarHBondContact O-CG 3.41Å; A90-Q94 PolarHBondContact O-N 2.94Å; A90-Q94 PolarHBondContact O-NE2 2.58Å; A90-Q94 VanDerWaalsContact O-NE2 3.1Å
91R95.1Very high95.2Very high9 Ų933.7 Ų33.73%0.03416%0.164CC..Hα-helixtrans-70.5-41.9172.9-71.7-178.2-171.9-151.912.4111.3F14 M61 D62 R87 I88 V89 M93 Q94 I95 F106F14-R91 HydrophobicContact CE1-CB 3.87Å; F14-R91 HydrophobicContact CE2-CB 4.18Å; F14-R91 HydrophobicContact CZ-CB 3.46Å; F14-R91 VanDerWaalsContact CZ-CB 3.46Å; F14-R91 HydrophobicContact CZ-CG 4.45Å; F14-R91 WeakPolarHBondContact O-CD 3.48Å; F14-R91 PolarHBondContact O-NE 2.87Å; F14-R91 VanDerWaalsContact O-NE 3.13Å; F14-R91 PolarHBondContact O-NH1 3.24Å; M61-R91 VanDerWaalsContact CE-CZ 3.49Å; M61-R91 VanDerWaalsContact CE-NH2 3.32Å; D62-R91 VanDerWaalsContact CG-NH2 3.28Å; D62-R91 IonicContact OD1-CZ 3.93Å; D62-R91 IonicContact OD1-NE 2.85Å; D62-R91 PolarHBondContact OD1-NE 2.78Å; D62-R91 VanDerWaalsContact OD1-NE 3.08Å; D62-R91 IonicContact OD1-NH2 3.98Å; D62-R91 PolarHBondContact OD1-NH2 2.98Å; D62-R91 IonicContact OD2-CZ 3.43Å; D62-R91 IonicContact OD2-NH2 2.92Å; D62-R91 PolarHBondContact OD2-NH2 3.19Å; R87-R91 WeakPolarHBondContact O-CG 3.4Å; R87-R91 PolarHBondContact O-N 3.28Å; I88-R91 PolarHBondContact O-N 2.74Å; V89-R91 VanDerWaalsContact C-N 3.31Å; V89-R91 PolarHBondContact O-N 2.85Å; R91-M93 VanDerWaalsContact C-N 3.29Å; R91-M93 PolarHBondContact O-N 3.1Å; R91-Q94 WeakPolarHBondContact O-CA 3.31Å; R91-Q94 WeakPolarHBondContact O-CB 3.43Å; R91-Q94 PolarHBondContact O-N 3.39Å; R91-I95 WeakPolarHBondContact O-CG1 3.5Å; R91-I95 PolarHBondContact O-N 3Å; R91-F106 HydrophobicContact CB-CE2 4.39Å; R91-F106 HydrophobicContact CB-CZ 3.82Å; R91-F106 HydrophobicContact CG-CE2 4.36Å; R91-F106 HydrophobicContact CG-CZ 4.17Å
92Q95.9Very high94.5Very high21 Ų2142.3 Ų42.310%0.09820%0.195CC..Hα-helixtrans-60.3-38.6175.4-174.759.519.900112.6I88 V89 Q94 I95 Q96 L116 L153 I161I88-Q92 PolarHBondContact O-N 2.58Å; V89-Q92 PolarHBondContact O-N 2.94Å; Q92-Q94 VanDerWaalsContact C-N 3.29Å; Q92-Q94 PolarHBondContact O-N 3.43Å; Q92-I95 PolarHBondContact O-N 2.94Å; Q92-Q96 WeakPolarHBondContact O-CG 3.43Å; Q92-Q96 PolarHBondContact O-N 2.8Å; Q92-L116 HydrophobicContact CB-CD2 4.1Å; Q92-L116 HydrophobicContact CG-CD2 4.31Å; Q92-L153 HydrophobicContact CB-CD1 4.12Å; Q92-L153 HydrophobicContact CG-CD1 3.86Å; Q92-I161 HydrophobicContact CB-CD1 4.08Å; Q92-I161 HydrophobicContact CG-CD1 3.95Å
93M94.7Very high93.8Very high27 Ų2746 Ų4613%0.13321%0.211CC..Hα-helixtrans-63.2-33.9173.1-72.2179.278.900113.2V89 R91 K97 L153V89-M93 HydrophobicContact CG1-SD 4.44Å; V89-M93 WeakPolarHBondContact O-CG 3.16Å; V89-M93 PolarHBondContact O-N 3.21Å; R91-M93 VanDerWaalsContact C-N 3.29Å; R91-M93 PolarHBondContact O-N 3.1Å; M93-K97 WeakPolarHBondContact O-CD 3.31Å; M93-K97 VanDerWaalsContact O-CG 3.3Å; M93-K97 WeakPolarHBondContact O-CG 3.14Å; M93-K97 PolarHBondContact O-N 2.86Å; M93-L153 HydrophobicContact CG-CD1 4.19Å; M93-L153 HydrophobicContact CG-CD2 3.48Å; M93-L153 VanDerWaalsContact CG-CD2 3.48Å; M93-L153 HydrophobicContact CG-CG 3.56Å; M93-L153 HydrophobicContact SD-CG 4.35Å
94Q93.5Very high93Very high22 Ų2255.5 Ų55.510%0.10326%0.256CS..Hα-helixtrans-70-41.7176.1-70.5171.365.800110.7A90 R91 Q92 K97 G98 Q99 F106A90-Q94 WeakPolarHBondContact O-CG 3.41Å; A90-Q94 PolarHBondContact O-N 2.94Å; A90-Q94 PolarHBondContact O-NE2 2.58Å; A90-Q94 VanDerWaalsContact O-NE2 3.1Å; R91-Q94 WeakPolarHBondContact O-CA 3.31Å; R91-Q94 WeakPolarHBondContact O-CB 3.43Å; R91-Q94 PolarHBondContact O-N 3.39Å; Q92-Q94 VanDerWaalsContact C-N 3.29Å; Q92-Q94 PolarHBondContact O-N 3.43Å; Q94-K97 CarbonylContact O-C 3.52Å; Q94-K97 PolarHBondContact O-N 3.07Å; Q94-K97 VanDerWaalsContact O-N 3.11Å; Q94-G98 PolarHBondContact O-N 3.07Å; Q94-Q99 HydrophobicContact CB-CB 4.1Å; Q94-Q99 WeakPolarHBondContact O-CB 3.45Å; Q94-Q99 PolarHBondContact O-N 3.5Å; Q94-F106 HydrophobicContact CB-CE2 3.81Å; Q94-F106 HydrophobicContact CB-CZ 4.28Å
95I94.3Very high92.2Very high39 Ų3959.4 Ų59.420%0.228%0.276CS..Hα-helixtrans-60.9-47.1175.2-64.8164.1000111F14 R91 Q92 K97 G98 D100 F106 Y107F14-I95 HydrophobicContact CE2-CD1 3.9Å; F14-I95 HydrophobicContact CZ-CD1 3.88Å; R91-I95 WeakPolarHBondContact O-CG1 3.5Å; R91-I95 PolarHBondContact O-N 3Å; Q92-I95 PolarHBondContact O-N 2.94Å; I95-K97 PolarHBondContact O-N 3.41Å; I95-G98 PolarHBondContact O-N 2.82Å; I95-D100 HydrophobicContact CG1-CB 3.92Å; I95-F106 HydrophobicContact CD1-CE1 3.93Å; I95-F106 HydrophobicContact CD1-CZ 4.1Å; I95-F106 HydrophobicContact CG1-CE1 3.74Å; I95-F106 HydrophobicContact CG1-CZ 3.71Å; I95-Y107 VanDerWaalsContact CD1-OH 3.31Å; I95-Y107 WeakPolarHBondContact CD1-OH 3.28Å
96Q93.7Very high91.8Very high117 Ų11759.5 Ų59.555%0.54728%0.277SS..Hα-helixtrans-60.7-20.3177-74.5-179.1-14.100113.5Q92Q92-Q96 WeakPolarHBondContact O-CG 3.43Å; Q92-Q96 PolarHBondContact O-N 2.8Å
97K93.6Very high91.3Very high131 Ų13162.7 Ų62.757%0.5729%0.289SS*.THydrogen-bonded Turntrans-96.84.3175.2-66.5171.9-174.2176.70113.1M93 Q94 I95 Q99M93-K97 WeakPolarHBondContact O-CD 3.31Å; M93-K97 VanDerWaalsContact O-CG 3.3Å; M93-K97 WeakPolarHBondContact O-CG 3.14Å; M93-K97 PolarHBondContact O-N 2.86Å; Q94-K97 CarbonylContact O-C 3.52Å; Q94-K97 PolarHBondContact O-N 3.07Å; Q94-K97 VanDerWaalsContact O-N 3.11Å; I95-K97 PolarHBondContact O-N 3.41Å; K97-Q99 HydrophobicContact CB-CG 3.85Å; K97-Q99 PolarHBondContact O-N 3.39Å
98G92.5Very high90.9Very high21 Ų2165 Ų6522%0.21630%0.302CS..THydrogen-bonded Turntrans62.525.8-175.600000113.9Q94 I95Q94-G98 PolarHBondContact O-N 3.07Å; I95-G98 PolarHBondContact O-N 2.82Å
99Q92Very high90.5Very high75 Ų7570.5 Ų70.535%0.3533%0.331SS..  trans-85-19.3-177.3-65.2179.9-11.100113Q94 K97 R102 K103Q94-Q99 HydrophobicContact CB-CB 4.1Å; Q94-Q99 WeakPolarHBondContact O-CB 3.45Å; Q94-Q99 PolarHBondContact O-N 3.5Å; K97-Q99 HydrophobicContact CB-CG 3.85Å; K97-Q99 PolarHBondContact O-N 3.39Å; Q99-R102 PolarHBondContact O-N 3.18Å; Q99-K103 WeakPolarHBondContact O-CG 3.38Å
100D90.9Very high90Very high23 Ų2372.7 Ų72.712%0.12334%0.34CS..SBendtrans-62.2-42.2172.261.3-45.7000111.4I95 R102 K103 F106 Y107I95-D100 HydrophobicContact CG1-CB 3.92Å; D100-R102 PolarHBondContact O-N 3.16Å; D100-K103 PolarHBondContact O-N 3.16Å; D100-F106 HydrophobicContact CB-CD1 3.55Å; D100-F106 HydrophobicContact CB-CD2 4.17Å; D100-F106 HydrophobicContact CB-CE1 3.65Å; D100-F106 HydrophobicContact CB-CE2 4.26Å; D100-F106 HydrophobicContact CB-CG 3.82Å; D100-F106 HydrophobicContact CB-CZ 4.01Å; D100-Y107 HydrophobicContact CB-CE2 4Å
101Q85.8Confident89.4Confident168 Ų16878.9 Ų78.979%0.78538%0.377SS*.THydrogen-bonded Turntrans-65.9-19.2178.8-61.517511.100113.8
102R83.3Confident89Confident212 Ų21280.1 Ų80.180%0.839%0.387SS*.THydrogen-bonded Turntrans-97.2-4.3-178.1-58.7-178.8-172.8-175.60.4113Q99 D100Q99-R102 PolarHBondContact O-N 3.18Å; D100-R102 PolarHBondContact O-N 3.16Å
103K82.6Confident88.7Confident78 Ų7886.7 Ų86.734%0.33942%0.422SS..  trans-121.5105.4-174.5-74.7-179.5178.2-172.70109Q99 D100 D105 F106Q99-K103 WeakPolarHBondContact O-CG 3.38Å; D100-K103 PolarHBondContact O-N 3.16Å; K103-D105 PolarHBondContact O-N 3.07Å; K103-F106 HydrophobicContact CB-CB 3.87Å; K103-F106 HydrophobicContact CD-CD2 4.17Å; K103-F106 WeakPolarHBondContact O-CB 3.31Å; K103-F106 PolarHBondContact O-N 2.68Å; K103-F106 VanDerWaalsContact O-N 3.12Å
104E80.9Confident88.6Confident202 Ų20288.1 Ų88.194%0.94443%0.426SS*.THydrogen-bonded Turntrans-57-32.4-179.2-169.2176.3-176.900112.6
105D83.3Confident88.6Confident82 Ų8289 Ų8944%0.43944%0.435SS..THydrogen-bonded Turntrans-93.94.4-177.966.7-24.9000114.7K103 Y107K103-D105 PolarHBondContact O-N 3.07Å; D105-Y107 PolarHBondContact O-N 2.66Å
106F88.5Confident88.7Confident2 Ų287.3 Ų87.31%0.00943%0.426CS..THydrogen-bonded Turntrans-63.5-42.8-178.7-170.2-86.8000112.2F14 M61 R91 Q94 I95 D100 K103F14-F106 HydrophobicContact CE2-CE1 4.09Å; M61-F106 HydrophobicContact SD-CD2 4.43Å; R91-F106 HydrophobicContact CB-CE2 4.39Å; R91-F106 HydrophobicContact CB-CZ 3.82Å; R91-F106 HydrophobicContact CG-CE2 4.36Å; R91-F106 HydrophobicContact CG-CZ 4.17Å; Q94-F106 HydrophobicContact CB-CE2 3.81Å; Q94-F106 HydrophobicContact CB-CZ 4.28Å; I95-F106 HydrophobicContact CD1-CE1 3.93Å; I95-F106 HydrophobicContact CD1-CZ 4.1Å; I95-F106 HydrophobicContact CG1-CE1 3.74Å; I95-F106 HydrophobicContact CG1-CZ 3.71Å; D100-F106 HydrophobicContact CB-CD1 3.55Å; D100-F106 HydrophobicContact CB-CD2 4.17Å; D100-F106 HydrophobicContact CB-CE1 3.65Å; D100-F106 HydrophobicContact CB-CE2 4.26Å; D100-F106 HydrophobicContact CB-CG 3.82Å; D100-F106 HydrophobicContact CB-CZ 4.01Å; K103-F106 HydrophobicContact CB-CB 3.87Å; K103-F106 HydrophobicContact CD-CD2 4.17Å; K103-F106 WeakPolarHBondContact O-CB 3.31Å; K103-F106 PolarHBondContact O-N 2.68Å; K103-F106 VanDerWaalsContact O-N 3.12Å
107Y88.8Confident88.7Confident67 Ų6784.7 Ų84.726%0.26342%0.415SS..THydrogen-bonded Turntrans-11074.8173.8-65.5-70000109.5F14 I95 D100 D105 N109 R110F14-Y107 AromaticContact CD2-CE1 4Å; F14-Y107 HydrophobicContact CD2-CE1 4Å; F14-Y107 AromaticContact CE2-CE1 3.96Å; F14-Y107 HydrophobicContact CE2-CE1 3.96Å; I95-Y107 VanDerWaalsContact CD1-OH 3.31Å; I95-Y107 WeakPolarHBondContact CD1-OH 3.28Å; D100-Y107 HydrophobicContact CB-CE2 4Å; D105-Y107 PolarHBondContact O-N 2.66Å; Y107-N109 PolarHBondContact O-N 2.98Å; Y107-N109 VanDerWaalsContact O-N 3.08Å; Y107-R110 PolarHBondContact O-N 3.13Å
108L88.8Confident88.7Confident58 Ų5883.6 Ų83.630%0.30442%0.415SS..THydrogen-bonded Turntrans-52.1118.2-177-177.761.3000111.6Y12 R110 F207Y12-L108 WeakPolarHBondContact CB-O 3.35Å; Y12-L108 HydrophobicContact CD1-CB 4.23Å; Y12-L108 HydrophobicContact CD1-CD2 3.55Å; Y12-L108 HydrophobicContact CD1-CG 3.66Å; Y12-L108 HydrophobicContact CE1-CD2 3.7Å; Y12-L108 HydrophobicContact CE1-CG 3.86Å; Y12-L108 HydrophobicContact CG-CG 4.37Å; Y12-L108 VanDerWaalsContact CG-O 3.28Å; L108-R110 PolarHBondContact O-N 2.84Å; L108-F207 HydrophobicContact CD2-CE2 3.93Å; L108-F207 HydrophobicContact CD2-CZ 4.16Å
109N88.7Confident88.9Confident116 Ų11682.7 Ų82.762%0.6241%0.405SS*.THydrogen-bonded Turntrans48.436.2174.9-66.5-14.8000114.5Y12 Y107Y12-N109 HydrophobicContact CD2-CB 3.64Å; Y12-N109 HydrophobicContact CE1-CB 4.35Å; Y12-N109 HydrophobicContact CE2-CB 3.39Å; Y12-N109 HydrophobicContact CG-CB 4.24Å; Y12-N109 PolarHBondContact OH-ND2 3.36Å; Y107-N109 PolarHBondContact O-N 2.98Å; Y107-N109 VanDerWaalsContact O-N 3.08Å
110R88.5Confident89Confident46 Ų4687.3 Ų87.317%0.17442%0.42CS..  trans-114.8126.2-178.3-177.7-179.6-174.7-108.1-6.6111Y107 L108 S112 R114 D188Y107-R110 PolarHBondContact O-N 3.13Å; L108-R110 PolarHBondContact O-N 2.84Å; R110-S112 PolarHBondContact NH1-O 3.18Å; R110-S112 PolarHBondContact NH2-OG 2.97Å; R110-R114 VanDerWaalsContact CZ-O 3.27Å; R110-R114 PolarHBondContact NH1-O 3.4Å; R110-R114 PolarHBondContact NH2-O 2.91Å; R110-D188 WeakPolarHBondContact CG-OD2 3.41Å; R110-D188 IonicContact CZ-OD1 3.79Å; R110-D188 IonicContact CZ-OD2 3.88Å; R110-D188 IonicContact NE-OD1 2.96Å; R110-D188 IonicContact NE-OD2 2.89Å; R110-D188 PolarHBondContact NE-OD2 2.9Å; R110-D188 IonicContact NH2-OD1 3.9Å; R110-D188 PolarHBondContact NH2-OD1 2.8Å; R110-D188 IonicContact NH2-OD2 2.75Å; R110-D188 PolarHBondContact NH2-OD2 3.37Å
111T82.9Confident89.1Confident141 Ų14189.6 Ų89.687%0.86543%0.429SS*.  trans-104.7-14.2-179.254.60000113.8
112S86.4Confident89.6Confident34 Ų3482.5 Ų82.524%0.23840%0.396CS..  trans-75.9144.5180172.90000112R110 R114 D188R110-S112 PolarHBondContact NH1-O 3.18Å; R110-S112 PolarHBondContact NH2-OG 2.97Å; S112-R114 PolarHBondContact OG-N 3.2Å; S112-D188 VanDerWaalsContact CB-CG 3.41Å; S112-D188 WeakPolarHBondContact CB-OD1 3.42Å; S112-D188 WeakPolarHBondContact CB-OD2 3.32Å; S112-D188 PolarHBondContact OG-OD1 2.81Å
113N88.8Confident90.2Very high159 Ų15973.9 Ų73.985%0.8537%0.365SS*.  trans-91.51.7176-67.4-35.8000113.8S115N113-S115 PolarHBondContact O-N 2.94Å
114R92.7Very high90.8Very high57 Ų5775.3 Ų75.322%0.21538%0.381CS..  trans-58.5124.3-178.1-170.7175.7-174.3-1589.2109.9R110 S112 D118 I119 L187 C190 S191R110-R114 VanDerWaalsContact CZ-O 3.27Å; R110-R114 PolarHBondContact NH1-O 3.4Å; R110-R114 PolarHBondContact NH2-O 2.91Å; S112-R114 PolarHBondContact OG-N 3.2Å; R114-D118 HydrophobicContact CG-CB 4.4Å; R114-I119 HydrophobicContact CG-CG2 4.34Å; R114-L187 VanDerWaalsContact CD-O 3.31Å; R114-L187 WeakPolarHBondContact CD-O 3.38Å; R114-L187 PolarHBondContact NH1-O 3.34Å; R114-C190 VanDerWaalsContact NH1-C 3.34Å; R114-C190 PolarHBondContact NH1-O 3.24Å; R114-C190 PolarHBondContact NH1-SG 2.81Å; R114-S191 VanDerWaalsContact NH1-CA 3.28Å; R114-S191 VanDerWaalsContact NH1-N 3.14Å
115S94.1Very high91.6Very high41 Ų4169.5 Ų69.529%0.28735%0.353SS..  trans-90.5163.9-17983.20000111.3N113 M117 D118N113-S115 PolarHBondContact O-N 2.94Å; S115-M117 PolarHBondContact O-N 3.49Å; S115-M117 PolarHBondContact OG-N 3.4Å; S115-D118 WeakPolarHBondContact CB-OD2 3.36Å; S115-D118 PolarHBondContact N-OD2 3.31Å; S115-D118 PolarHBondContact O-N 2.87Å; S115-D118 PolarHBondContact OG-N 3.04Å; S115-D118 PolarHBondContact OG-OD1 3.3Å; S115-D118 PolarHBondContact OG-OD2 2.62Å
116L96.1Very high92.2Very high3 Ų365.8 Ų65.82%0.01633%0.334CS..G310 helixtrans-54.1-40.3170.4173.463.8000110.9F14 I88 Q92 D118 I119 I161 R164 L185 L187F14-L116 HydrophobicContact CE1-CD2 4.21Å; I88-L116 HydrophobicContact CG2-CD1 3.99Å; I88-L116 HydrophobicContact CG2-CD2 3.61Å; I88-L116 HydrophobicContact CG2-CG 4.49Å; Q92-L116 HydrophobicContact CB-CD2 4.1Å; Q92-L116 HydrophobicContact CG-CD2 4.31Å; L116-D118 VanDerWaalsContact C-N 3.27Å; L116-D118 PolarHBondContact O-N 3.06Å; L116-I119 HydrophobicContact CD1-CD1 4.1Å; L116-I119 WeakPolarHBondContact O-CG1 3.47Å; L116-I119 PolarHBondContact O-N 3.33Å; L116-I161 HydrophobicContact CD2-CD1 4.4Å; L116-I161 HydrophobicContact CD2-CG1 4.14Å; L116-I161 HydrophobicContact CD2-CG2 4.19Å; L116-R164 WeakPolarHBondContact O-CD 3.17Å; L116-L185 HydrophobicContact CD1-CD2 3.57Å; L116-L187 HydrophobicContact CD1-CD2 4.37Å
117M94.1Very high92.5Very high63 Ų6370.8 Ų70.831%0.3136%0.355SS..G310 helixtrans-76.9-15-173.8-61.5-54.3-65.900113.3S115 I161 R164S115-M117 PolarHBondContact O-N 3.49Å; S115-M117 PolarHBondContact OG-N 3.4Å; M117-I161 HydrophobicContact SD-CG1 4.4Å; M117-R164 PolarHBondContact O-NE 3.37Å; M117-R164 PolarHBondContact O-NH2 3.25Å
118D93.6Very high92.8Very high107 Ų10771.5 Ų71.557%0.57238%0.375SS*.G310 helixtrans-87.7-11179-53.2-37.6000113.6R114 S115 L116R114-D118 HydrophobicContact CG-CB 4.4Å; S115-D118 WeakPolarHBondContact CB-OD2 3.36Å; S115-D118 PolarHBondContact N-OD2 3.31Å; S115-D118 PolarHBondContact O-N 2.87Å; S115-D118 PolarHBondContact OG-N 3.04Å; S115-D118 PolarHBondContact OG-OD1 3.3Å; S115-D118 PolarHBondContact OG-OD2 2.62Å; L116-D118 VanDerWaalsContact C-N 3.27Å; L116-D118 PolarHBondContact O-N 3.06Å
119I96.2Very high93.2Very high2 Ų272 Ų721%0.0138%0.378CS..SBendtrans-77.6154.2178.779.9-171.8000110.8R114 L116 R164 N168 L185 L187R114-I119 HydrophobicContact CG-CG2 4.34Å; L116-I119 HydrophobicContact CD1-CD1 4.1Å; L116-I119 WeakPolarHBondContact O-CG1 3.47Å; L116-I119 PolarHBondContact O-N 3.33Å; I119-R164 HydrophobicContact CD1-CB 3.98Å; I119-R164 HydrophobicContact CG1-CB 3.79Å; I119-R164 HydrophobicContact CG1-CG 3.91Å; I119-R164 PolarHBondContact O-NE 2.91Å; I119-N168 HydrophobicContact CD1-CB 3.88Å; I119-L185 HydrophobicContact CD1-CD1 3.84Å; I119-L185 HydrophobicContact CD1-CD2 4.15Å; I119-L185 HydrophobicContact CD1-CG 4.46Å; I119-L187 HydrophobicContact CD1-CD2 3.94Å; I119-L187 HydrophobicContact CG2-CD2 3.79Å
120W93.4Very high93.5Very high173 Ų17370.9 Ų70.966%0.65537%0.372SS*.  trans-61150.6-172.6-159.2-103000112.3H122 N168W120-H122 AromaticContact CD1-CD2 3.88Å; W120-H122 AromaticContact CD1-NE2 3.47Å; W120-H122 AromaticContact NE1-CD2 3.81Å; W120-H122 AromaticContact NE1-CE1 3.48Å; W120-H122 PolarHBondContact NE1-CE1 2.66Å; W120-H122 AromaticContact NE1-NE2 3.02Å; W120-H122 PolarHBondContact NE1-NE2 2.91Å; W120-N168 PolarHBondContact O-ND2 3.11Å
121H94.7Very high93.9Very high70 Ų7073.2 Ų73.232%0.32438%0.384SS..  trans-151.4161.5176.76175.5000111.2R164H121-R164 HydrophobicContact CB-CG 3.7Å; H121-R164 PolarHBondContact CD2-NH1 2.9Å; H121-R164 PolarHBondContact CD2-NH2 3.11Å; H121-R164 PolarHBondContact NE2-NH2 3.4Å
122H94.4Very high94.5Very high20 Ų2067.2 Ų67.29%0.09335%0.349CS..  trans-125.147.2173-75.3-75.1000109.8W120 T124 E125 M126 S163 I167 W248 Y249W120-H122 AromaticContact CD1-CD2 3.88Å; W120-H122 AromaticContact CD1-NE2 3.47Å; W120-H122 AromaticContact NE1-CD2 3.81Å; W120-H122 AromaticContact NE1-CE1 3.48Å; W120-H122 PolarHBondContact NE1-CE1 2.66Å; W120-H122 AromaticContact NE1-NE2 3.02Å; W120-H122 PolarHBondContact NE1-NE2 2.91Å; H122-T124 VanDerWaalsContact C-N 3.25Å; H122-T124 PolarHBondContact O-N 3Å; H122-E125 VanDerWaalsContact C-OE2 3.24Å; H122-E125 VanDerWaalsContact CA-OE2 3.25Å; H122-E125 WeakPolarHBondContact CA-OE2 3.49Å; H122-E125 HydrophobicContact CB-CB 4.25Å; H122-E125 WeakPolarHBondContact CB-OE2 3.49Å; H122-E125 IonicContact CE1-OE1 3.44Å; H122-E125 IonicContact CG-OE1 3.66Å; H122-E125 IonicContact CG-OE2 3.16Å; H122-E125 VanDerWaalsContact ND1-CD 3.34Å; H122-E125 IonicContact ND1-OE1 2.8Å; H122-E125 PolarHBondContact ND1-OE1 3.4Å; H122-E125 IonicContact ND1-OE2 2.69Å; H122-E125 PolarHBondContact O-N 3.32Å; H122-M126 WeakPolarHBondContact O-CB 3.17Å; H122-M126 VanDerWaalsContact O-CG 3.3Å; H122-M126 WeakPolarHBondContact O-CG 3.35Å; H122-M126 PolarHBondContact O-N 3.46Å; H122-S163 PolarHBondContact N-OG 3.04Å; H122-I167 HydrophobicContact CB-CD1 4.44Å; H122-W248 PolarHBondContact NE2-O 3.5Å; H122-Y249 HydrophobicContact CB-CD2 3.46Å; H122-Y249 VanDerWaalsContact CB-CD2 3.46Å; H122-Y249 HydrophobicContact CB-CE2 3.81Å; H122-Y249 HydrophobicContact CB-CG 3.95Å; H122-Y249 AromaticContact CD2-CD2 3.71Å; H122-Y249 AromaticContact CG-CD2 3.55Å; H122-Y249 AromaticContact CG-CG 3.82Å
123E96Very high95Very high30 Ų3071 Ų7114%0.1436%0.358CS..Hα-helixtrans-58-38.3-174.9-166.4-178146.200112K127 F159 S160 S163E123-K127 HydrophobicContact CG-CD 4.47Å; E123-K127 WeakPolarHBondContact O-CB 3.24Å; E123-K127 VanDerWaalsContact O-CG 3.28Å; E123-K127 WeakPolarHBondContact O-CG 3.5Å; E123-K127 PolarHBondContact O-N 2.84Å; E123-K127 WeakPolarHBondContact OE1-CE 3.31Å; E123-K127 IonicContact OE1-NZ 3.64Å; E123-K127 PolarHBondContact OE1-NZ 3.45Å; E123-F159 HydrophobicContact CG-CD1 3.64Å; E123-F159 HydrophobicContact CG-CE1 3.51Å; E123-S160 WeakPolarHBondContact OE2-CA 3.39Å; E123-S160 WeakPolarHBondContact OE2-CB 3.45Å; E123-S160 PolarHBondContact OE2-OG 3.09Å; E123-S163 PolarHBondContact N-OG 3Å
124T96.4Very high95.4Very high109 Ų10968.9 Ų68.967%0.66934%0.341SS*.Hα-helixtrans-65.6-47.3178.7-58.20000111.2H122 K127 A128H122-T124 VanDerWaalsContact C-N 3.25Å; H122-T124 PolarHBondContact O-N 3Å; T124-K127 PolarHBondContact O-N 2.75Å; T124-A128 PolarHBondContact O-N 3.36Å
125E96.2Very high95.6Very high79 Ų7971.7 Ų71.737%0.36936%0.355SS..Hα-helixtrans-67.5-41.4179.6-59.687.6152.200110.9H122 K127 A128 N129 Y249H122-E125 VanDerWaalsContact C-OE2 3.24Å; H122-E125 VanDerWaalsContact CA-OE2 3.25Å; H122-E125 WeakPolarHBondContact CA-OE2 3.49Å; H122-E125 HydrophobicContact CB-CB 4.25Å; H122-E125 WeakPolarHBondContact CB-OE2 3.49Å; H122-E125 IonicContact CE1-OE1 3.44Å; H122-E125 IonicContact CG-OE1 3.66Å; H122-E125 IonicContact CG-OE2 3.16Å; H122-E125 VanDerWaalsContact ND1-CD 3.34Å; H122-E125 IonicContact ND1-OE1 2.8Å; H122-E125 PolarHBondContact ND1-OE1 3.4Å; H122-E125 IonicContact ND1-OE2 2.69Å; H122-E125 PolarHBondContact O-N 3.32Å; E125-K127 VanDerWaalsContact C-N 3.34Å; E125-K127 PolarHBondContact O-N 2.96Å; E125-A128 PolarHBondContact O-N 3.33Å; E125-N129 WeakPolarHBondContact O-CB 3.49Å; E125-N129 PolarHBondContact O-N 3.44Å; E125-Y249 HydrophobicContact CB-CD1 3.68Å; E125-Y249 HydrophobicContact CB-CE1 3.65Å; E125-Y249 HydrophobicContact CB-CG 4.34Å; E125-Y249 HydrophobicContact CG-CD1 4.15Å
126M95.9Very high95.8Very high5 Ų570 Ų703%0.02534%0.342CS..Hα-helixtrans-64.3-35.7174.1-71.5-175.79200112.2H122 N129 A132 F159 S163 Y166 Y249H122-M126 WeakPolarHBondContact O-CB 3.17Å; H122-M126 VanDerWaalsContact O-CG 3.3Å; H122-M126 WeakPolarHBondContact O-CG 3.35Å; H122-M126 PolarHBondContact O-N 3.46Å; M126-N129 PolarHBondContact O-N 3.43Å; M126-A132 HydrophobicContact CB-CB 4.43Å; M126-F159 HydrophobicContact CB-CE1 4.41Å; M126-F159 HydrophobicContact CB-CZ 3.85Å; M126-S163 VanDerWaalsContact SD-CA 3.54Å; M126-S163 VanDerWaalsContact SD-CB 3.56Å; M126-S163 PolarHBondContact SD-OG 3.37Å; M126-Y166 HydrophobicContact CE-CD1 4.14Å; M126-Y166 HydrophobicContact CE-CG 4.1Å; M126-Y249 HydrophobicContact CG-CE2 4.19Å; M126-Y249 WeakPolarHBondContact CG-OH 3.25Å
127K95.9Very high95.9Very high107 Ų10773.8 Ų73.847%0.46536%0.36SS..Hα-helixtrans-66.6-40.8172.8-79.7173-175.2169.70111.9E123 T124 E125 N129 R133 F159E123-K127 HydrophobicContact CG-CD 4.47Å; E123-K127 WeakPolarHBondContact O-CB 3.24Å; E123-K127 VanDerWaalsContact O-CG 3.28Å; E123-K127 WeakPolarHBondContact O-CG 3.5Å; E123-K127 PolarHBondContact O-N 2.84Å; E123-K127 WeakPolarHBondContact OE1-CE 3.31Å; E123-K127 IonicContact OE1-NZ 3.64Å; E123-K127 PolarHBondContact OE1-NZ 3.45Å; T124-K127 PolarHBondContact O-N 2.75Å; E125-K127 VanDerWaalsContact C-N 3.34Å; E125-K127 PolarHBondContact O-N 2.96Å; K127-N129 VanDerWaalsContact C-N 3.29Å; K127-N129 PolarHBondContact O-N 3.22Å; K127-R133 WeakPolarHBondContact O-CD 3.39Å; K127-R133 PolarHBondContact O-NE 2.78Å; K127-F159 HydrophobicContact CD-CE1 4.21Å; K127-F159 HydrophobicContact CG-CD1 4.31Å; K127-F159 HydrophobicContact CG-CE1 3.49Å; K127-F159 VanDerWaalsContact CG-CE1 3.49Å; K127-F159 HydrophobicContact CG-CZ 3.83Å
128A95.9Very high96.1Very high81 Ų8175.5 Ų75.567%0.66937%0.374SS*.Hα-helixtrans-68.1-30.617800000112.2T124 E125 L130T124-A128 PolarHBondContact O-N 3.36Å; E125-A128 PolarHBondContact O-N 3.33Å; A128-L130 PolarHBondContact O-N 2.97Å
129N95.1Very high96.3Very high70 Ų7071.3 Ų71.337%0.37435%0.351SS..  trans-79114.8-179.1-174-37.5000112.4E125 M126 K127 E131 A132 R133E125-N129 WeakPolarHBondContact O-CB 3.49Å; E125-N129 PolarHBondContact O-N 3.44Å; M126-N129 PolarHBondContact O-N 3.43Å; K127-N129 VanDerWaalsContact C-N 3.29Å; K127-N129 PolarHBondContact O-N 3.22Å; N129-E131 VanDerWaalsContact C-N 3.35Å; N129-E131 PolarHBondContact O-N 2.89Å; N129-E131 WeakPolarHBondContact OD1-CB 2.94Å; N129-E131 PolarHBondContact OD1-N 3.05Å; N129-A132 HydrophobicContact CB-CB 3.86Å; N129-A132 PolarHBondContact O-N 3.25Å; N129-A132 PolarHBondContact OD1-N 3.23Å; N129-R133 WeakPolarHBondContact O-CG 3.5Å; N129-R133 PolarHBondContact O-N 3.09Å; N129-R133 VanDerWaalsContact O-N 3.08Å
130L96.6Very high96.5Very high92 Ų9273 Ų7348%0.48236%0.358SS..Hα-helixtrans-60.2-40.6179.9177.662.6000113.1A128 R133 K134A128-L130 PolarHBondContact O-N 2.97Å; L130-R133 PolarHBondContact O-N 3.26Å; L130-K134 HydrophobicContact CG-CD 4.48Å; L130-K134 WeakPolarHBondContact O-CG 3.18Å; L130-K134 PolarHBondContact O-N 2.91Å
131E95.7Very high96.7Very high95 Ų9568.2 Ų68.244%0.44435%0.35SS..Hα-helixtrans-71.2-40.8-177.7-174.454-149.800111.1N129 R133 K134 K135N129-E131 VanDerWaalsContact C-N 3.35Å; N129-E131 PolarHBondContact O-N 2.89Å; N129-E131 WeakPolarHBondContact OD1-CB 2.94Å; N129-E131 PolarHBondContact OD1-N 3.05Å; E131-R133 VanDerWaalsContact C-N 3.32Å; E131-R133 PolarHBondContact O-N 2.8Å; E131-K134 PolarHBondContact O-N 3.34Å; E131-K135 HydrophobicContact CG-CD 4.46Å; E131-K135 WeakPolarHBondContact O-CG 3.26Å; E131-K135 PolarHBondContact O-N 2.95Å; E131-K135 VanDerWaalsContact OE1-CE 3.24Å; E131-K135 WeakPolarHBondContact OE1-CE 3.45Å
132A95.3Very high96.9Very high14 Ų1465.8 Ų65.812%0.11634%0.342CS..Hα-helixtrans-59.9-42.5173.100000111.7M126 N129 K135 F136M126-A132 HydrophobicContact CB-CB 4.43Å; N129-A132 HydrophobicContact CB-CB 3.86Å; N129-A132 PolarHBondContact O-N 3.25Å; N129-A132 PolarHBondContact OD1-N 3.23Å; A132-K135 PolarHBondContact O-N 2.97Å; A132-F136 WeakPolarHBondContact O-CB 3.46Å; A132-F136 PolarHBondContact O-N 3.44Å
133R96.9Very high97Very high113 Ų11364.8 Ų64.843%0.42634%0.338SS..Hα-helixtrans-61.5-46.7174.6-74.3-171.9-72.6132.8-4.1112.3K127 N129 L130 E131 K135 F136 E137K127-R133 WeakPolarHBondContact O-CD 3.39Å; K127-R133 PolarHBondContact O-NE 2.78Å; N129-R133 WeakPolarHBondContact O-CG 3.5Å; N129-R133 PolarHBondContact O-N 3.09Å; N129-R133 VanDerWaalsContact O-N 3.08Å; L130-R133 PolarHBondContact O-N 3.26Å; E131-R133 VanDerWaalsContact C-N 3.32Å; E131-R133 PolarHBondContact O-N 2.8Å; R133-K135 PolarHBondContact O-N 3.07Å; R133-F136 PolarHBondContact O-N 2.81Å; R133-E137 WeakPolarHBondContact O-CG 3.41Å; R133-E137 PolarHBondContact O-N 2.84Å
134K98Very high97.1Very high116 Ų11665.5 Ų65.550%0.50434%0.344SS..Hα-helixtrans-59.6-46.4177.6-75.2177.5178.7178.90111.7L130 E131 F136 E137 V138L130-K134 HydrophobicContact CG-CD 4.48Å; L130-K134 WeakPolarHBondContact O-CG 3.18Å; L130-K134 PolarHBondContact O-N 2.91Å; E131-K134 PolarHBondContact O-N 3.34Å; K134-F136 VanDerWaalsContact C-N 3.33Å; K134-F136 PolarHBondContact O-N 2.93Å; K134-E137 PolarHBondContact O-N 2.79Å; K134-V138 PolarHBondContact O-N 3.28Å
135K97.1Very high97.2Very high116 Ų11668.4 Ų68.450%0.50434%0.343SS..Hα-helixtrans-58.6-44.4175.6-72.7176.9179.5176.60111.6E131 A132 R133 E137 V138 I139E131-K135 HydrophobicContact CG-CD 4.46Å; E131-K135 WeakPolarHBondContact O-CG 3.26Å; E131-K135 PolarHBondContact O-N 2.95Å; E131-K135 VanDerWaalsContact OE1-CE 3.24Å; E131-K135 WeakPolarHBondContact OE1-CE 3.45Å; A132-K135 PolarHBondContact O-N 2.97Å; R133-K135 PolarHBondContact O-N 3.07Å; K135-E137 PolarHBondContact O-N 3.46Å; K135-V138 PolarHBondContact O-N 3.16Å; K135-I139 WeakPolarHBondContact O-CG1 3.21Å; K135-I139 PolarHBondContact O-N 3.48Å; K135-I139 VanDerWaalsContact O-N 3.09Å
136F98.3Very high97.3Very high5 Ų564.8 Ų64.82%0.02233%0.326CS..Hα-helixtrans-61.7-41.3176.4176-102.4000112.9A132 R133 K134 V138 I139 Y140 K155 I158 F159 H162A132-F136 WeakPolarHBondContact O-CB 3.46Å; A132-F136 PolarHBondContact O-N 3.44Å; R133-F136 PolarHBondContact O-N 2.81Å; K134-F136 VanDerWaalsContact C-N 3.33Å; K134-F136 PolarHBondContact O-N 2.93Å; F136-V138 VanDerWaalsContact C-N 3.29Å; F136-V138 PolarHBondContact O-N 3.45Å; F136-I139 PolarHBondContact O-N 3.35Å; F136-Y140 HydrophobicContact CZ-CD2 4.33Å; F136-Y140 VanDerWaalsContact O-CB 3.3Å; F136-Y140 WeakPolarHBondContact O-CB 3.21Å; F136-Y140 PolarHBondContact O-N 3.21Å; F136-K155 HydrophobicContact CE1-CG 4.08Å; F136-K155 HydrophobicContact CZ-CG 4.36Å; F136-I158 HydrophobicContact CE2-CG2 4.03Å; F136-I158 HydrophobicContact CZ-CG2 4.11Å; F136-F159 HydrophobicContact CB-CD2 4.21Å; F136-F159 HydrophobicContact CB-CE2 4.11Å; F136-F159 AromaticContact CD1-CD2 3.49Å; F136-F159 HydrophobicContact CD1-CD2 3.49Å; F136-F159 VanDerWaalsContact CD1-CD2 3.49Å; F136-F159 HydrophobicContact CD1-CE2 4.1Å; F136-F159 AromaticContact CD2-CD2 3.72Å; F136-F159 HydrophobicContact CD2-CD2 3.72Å; F136-F159 HydrophobicContact CD2-CE2 4.36Å; F136-F159 HydrophobicContact CE1-CB 4Å; F136-F159 AromaticContact CE1-CD2 3.64Å; F136-F159 HydrophobicContact CE1-CD2 3.64Å; F136-F159 HydrophobicContact CE1-CG 4.3Å; F136-F159 HydrophobicContact CE2-CB 4.04Å; F136-F159 AromaticContact CE2-CD2 3.87Å; F136-F159 HydrophobicContact CE2-CD2 3.87Å; F136-F159 HydrophobicContact CE2-CG 4.44Å; F136-F159 AromaticContact CG-CD2 3.51Å; F136-F159 HydrophobicContact CG-CD2 3.51Å; F136-F159 AromaticContact CG-CE2 3.91Å; F136-F159 HydrophobicContact CG-CE2 3.91Å; F136-F159 HydrophobicContact CZ-CB 3.63Å; F136-F159 AromaticContact CZ-CD2 3.82Å; F136-F159 HydrophobicContact CZ-CD2 3.82Å; F136-F159 HydrophobicContact CZ-CG 4.24Å; F136-H162 HydrophobicContact CD2-CB 3.96Å; F136-H162 AromaticContact CD2-CD2 3.6Å; F136-H162 AromaticContact CD2-CG 3.69Å; F136-H162 HydrophobicContact CE2-CB 3.86Å
137E98.4Very high97.3Very high83 Ų8364.7 Ų64.739%0.38833%0.326SS..Hα-helixtrans-60.9-38.1178.3-71.2-59.5155.200112.6R133 K134 K135 S141 K155R133-E137 WeakPolarHBondContact O-CG 3.41Å; R133-E137 PolarHBondContact O-N 2.84Å; K134-E137 PolarHBondContact O-N 2.79Å; K135-E137 PolarHBondContact O-N 3.46Å; E137-S141 WeakPolarHBondContact O-CB 3.33Å; E137-S141 PolarHBondContact O-N 3.38Å; E137-S141 PolarHBondContact O-OG 3.38Å; E137-K155 VanDerWaalsContact OE1-CE 3.3Å; E137-K155 WeakPolarHBondContact OE1-CE 3.49Å; E137-K155 IonicContact OE1-NZ 3.88Å; E137-K155 PolarHBondContact OE1-NZ 2.72Å; E137-K155 WeakPolarHBondContact OE2-CE 3.24Å; E137-K155 IonicContact OE2-NZ 2.63Å; E137-K155 PolarHBondContact OE2-NZ 2.86Å
138V98.4Very high97.2Very high99 Ų9961 Ų6160%0.632%0.317SS*.Hα-helixtrans-64.3-49.9174.1176.10000110.6K134 K135 F136 Y140 S141 A142K134-V138 PolarHBondContact O-N 3.28Å; K135-V138 PolarHBondContact O-N 3.16Å; F136-V138 VanDerWaalsContact C-N 3.29Å; F136-V138 PolarHBondContact O-N 3.45Å; V138-Y140 PolarHBondContact O-N 3.31Å; V138-S141 PolarHBondContact O-N 2.98Å; V138-A142 PolarHBondContact O-N 3.46Å
139I98.4Very high97Very high18 Ų1862.5 Ų62.59%0.09231%0.313CS..Hα-helixtrans-60.3-45.4178.7-66.6167.5000110.8E81 V82 L85 K135 F136 S141 A142 L143E81-I139 HydrophobicContact CB-CD1 4.12Å; E81-I139 HydrophobicContact CB-CG1 4.46Å; V82-I139 HydrophobicContact CG2-CG2 4.17Å; L85-I139 HydrophobicContact CD2-CG2 3.77Å; K135-I139 WeakPolarHBondContact O-CG1 3.21Å; K135-I139 PolarHBondContact O-N 3.48Å; K135-I139 VanDerWaalsContact O-N 3.09Å; F136-I139 PolarHBondContact O-N 3.35Å; I139-S141 PolarHBondContact O-N 3.05Å; I139-A142 PolarHBondContact O-N 3.25Å; I139-L143 HydrophobicContact CG2-CD1 4.24Å; I139-L143 HydrophobicContact CG2-CG 4.45Å; I139-L143 WeakPolarHBondContact O-CG 3.42Å; I139-L143 PolarHBondContact O-N 3.35Å
140Y98.6Very high96.8Very high38 Ų3869 Ų6915%0.14934%0.338CS..Hα-helixtrans-62.5-43.7179.2177.9-100.9000111.8F136 V138 A142 L143 V144 K155 I158F136-Y140 HydrophobicContact CZ-CD2 4.33Å; F136-Y140 VanDerWaalsContact O-CB 3.3Å; F136-Y140 WeakPolarHBondContact O-CB 3.21Å; F136-Y140 PolarHBondContact O-N 3.21Å; V138-Y140 PolarHBondContact O-N 3.31Å; Y140-A142 VanDerWaalsContact C-N 3.32Å; Y140-A142 PolarHBondContact O-N 2.86Å; Y140-L143 WeakPolarHBondContact O-CB 3.42Å; Y140-L143 PolarHBondContact O-N 2.91Å; Y140-V144 HydrophobicContact CD1-CG2 4.31Å; Y140-V144 HydrophobicContact CE1-CG2 3.83Å; Y140-V144 HydrophobicContact CE2-CG2 4.07Å; Y140-V144 WeakPolarHBondContact O-CG2 3.4Å; Y140-V144 PolarHBondContact O-N 3Å; Y140-K155 HydrophobicContact CD1-CD 4Å; Y140-K155 HydrophobicContact CD1-CG 4.33Å; Y140-K155 HydrophobicContact CD2-CD 4.44Å; Y140-K155 HydrophobicContact CD2-CG 3.88Å; Y140-K155 HydrophobicContact CE1-CD 3.73Å; Y140-K155 HydrophobicContact CE1-CG 4.11Å; Y140-K155 HydrophobicContact CE2-CB 3.8Å; Y140-K155 HydrophobicContact CE2-CD 4.2Å; Y140-K155 HydrophobicContact CE2-CG 3.64Å; Y140-K155 HydrophobicContact CG-CD 4.34Å; Y140-K155 HydrophobicContact CG-CG 4.22Å; Y140-I158 HydrophobicContact CD2-CD1 4.4Å; Y140-I158 HydrophobicContact CD2-CG2 4.4Å; Y140-I158 HydrophobicContact CE2-CD1 4.04Å
141S98.3Very high96.4Very high72 Ų7269 Ų6950%0.50334%0.335SS..Hα-helixtrans-61.7-41.6176.9-60.20000111.5E137 V138 I139 V144 R145E137-S141 WeakPolarHBondContact O-CB 3.33Å; E137-S141 PolarHBondContact O-N 3.38Å; E137-S141 PolarHBondContact O-OG 3.38Å; V138-S141 PolarHBondContact O-N 2.98Å; I139-S141 PolarHBondContact O-N 3.05Å; S141-V144 PolarHBondContact O-N 2.91Å; S141-R145 WeakPolarHBondContact O-CB 3.36Å; S141-R145 PolarHBondContact O-N 3.01Å
142A98.3Very high96.3Very high19 Ų1965.2 Ų65.216%0.15732%0.317CS..Hα-helixtrans-67.6-38.3175.200000112.7W76 V82 V138 I139 Y140 R145 F146W76-A142 HydrophobicContact CH2-CB 4.3Å; W76-A142 HydrophobicContact CZ2-CB 4.18Å; V82-A142 HydrophobicContact CB-CB 4.48Å; V82-A142 HydrophobicContact CG1-CB 4.13Å; V82-A142 HydrophobicContact CG2-CB 3.53Å; V138-A142 PolarHBondContact O-N 3.46Å; I139-A142 PolarHBondContact O-N 3.25Å; Y140-A142 VanDerWaalsContact C-N 3.32Å; Y140-A142 PolarHBondContact O-N 2.86Å; A142-R145 PolarHBondContact O-N 3.13Å; A142-F146 VanDerWaalsContact O-CB 3.32Å; A142-F146 WeakPolarHBondContact O-CB 3.4Å; A142-F146 PolarHBondContact O-N 2.84Å
143L98.3Very high96.4Very high0 Ų065.5 Ų65.50%032%0.317CS..Hα-helixtrans-59-48.9172.3-80.8172.7000111.4V82 L85 I139 Y140 R145 F146 Y147 L152 I158V82-L143 HydrophobicContact CG1-CD2 3.87Å; V82-L143 HydrophobicContact CG1-CG 4.06Å; V82-L143 WeakPolarHBondContact O-CD2 3.22Å; L85-L143 HydrophobicContact CD2-CD1 3.66Å; L85-L143 HydrophobicContact CG-CD1 3.95Å; I139-L143 HydrophobicContact CG2-CD1 4.24Å; I139-L143 HydrophobicContact CG2-CG 4.45Å; I139-L143 WeakPolarHBondContact O-CG 3.42Å; I139-L143 PolarHBondContact O-N 3.35Å; Y140-L143 WeakPolarHBondContact O-CB 3.42Å; Y140-L143 PolarHBondContact O-N 2.91Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 2.91Å; L143-F146 PolarHBondContact O-N 2.88Å; L143-Y147 HydrophobicContact CD2-CD2 3.75Å; L143-Y147 HydrophobicContact CD2-CE2 3.88Å; L143-Y147 WeakPolarHBondContact O-CB 3.49Å; L143-Y147 PolarHBondContact O-N 3.41Å; L143-L152 HydrophobicContact CB-CD1 4.11Å; L143-I158 HydrophobicContact CD1-CG2 3.99Å
144V97.9Very high96.4Very high45 Ų4564.3 Ų64.327%0.27332%0.319SS..Hα-helixtrans-61.7-43.6178.9172.40000110.7Y140 S141 F146 G148 L149 L152Y140-V144 HydrophobicContact CD1-CG2 4.31Å; Y140-V144 HydrophobicContact CE1-CG2 3.83Å; Y140-V144 HydrophobicContact CE2-CG2 4.07Å; Y140-V144 WeakPolarHBondContact O-CG2 3.4Å; Y140-V144 PolarHBondContact O-N 3Å; S141-V144 PolarHBondContact O-N 2.91Å; V144-F146 PolarHBondContact O-N 3.38Å; V144-G148 WeakPolarHBondContact O-CA 3.48Å; V144-G148 PolarHBondContact O-N 3.28Å; V144-L149 HydrophobicContact CG2-CD1 4.3Å; V144-L152 HydrophobicContact CG2-CD1 4.08Å
145R97.3Very high96.4Very high170 Ų17062.3 Ų62.364%0.64231%0.31SS*.Hα-helixtrans-61.9-40.9177.2-177.5179.8176.4179.6-1.7112.4W76 S141 A142 L143W76-R145 HydrophobicContact CH2-CB 4.34Å; W76-R145 HydrophobicContact CH2-CG 4.22Å; W76-R145 HydrophobicContact CZ3-CB 4.37Å; W76-R145 HydrophobicContact CZ3-CG 3.82Å; S141-R145 WeakPolarHBondContact O-CB 3.36Å; S141-R145 PolarHBondContact O-N 3.01Å; A142-R145 PolarHBondContact O-N 3.13Å; L143-R145 VanDerWaalsContact C-N 3.33Å; L143-R145 PolarHBondContact O-N 2.91Å
146F97.8Very high96.3Very high2 Ų260 Ų601%0.00931%0.313CS..Hα-helixtrans-88.8-52.4-173.2-172.7-113.6000113.1E66 S69 L70 C73 W76 P78 A142 L143 V144E66-F146 HydrophobicContact CB-CE1 4.01Å; E66-F146 HydrophobicContact CB-CZ 4.08Å; E66-F146 HydrophobicContact CG-CE1 3.96Å; E66-F146 HydrophobicContact CG-CZ 4.49Å; S69-F146 WeakPolarHBondContact CB-O 3.47Å; S69-F146 PolarHBondContact OG-O 2.99Å; L70-F146 HydrophobicContact CD2-CE2 3.85Å; L70-F146 HydrophobicContact CD2-CZ 3.7Å; L70-F146 HydrophobicContact CG-CE2 4.03Å; L70-F146 HydrophobicContact CG-CZ 3.75Å; C73-F146 HydrophobicContact CB-CD2 4.43Å; W76-F146 HydrophobicContact CH2-CB 4.01Å; W76-F146 HydrophobicContact CZ3-CB 4.02Å; W76-F146 HydrophobicContact CZ3-CD2 4.16Å; P78-F146 HydrophobicContact CG-CB 3.74Å; P78-F146 HydrophobicContact CG-CD1 3.66Å; P78-F146 HydrophobicContact CG-CD2 3.41Å; P78-F146 VanDerWaalsContact CG-CD2 3.41Å; P78-F146 HydrophobicContact CG-CE1 4.01Å; P78-F146 HydrophobicContact CG-CE2 3.8Å; P78-F146 HydrophobicContact CG-CG 3.32Å; P78-F146 HydrophobicContact CG-CZ 4.07Å; A142-F146 VanDerWaalsContact O-CB 3.32Å; A142-F146 WeakPolarHBondContact O-CB 3.4Å; A142-F146 PolarHBondContact O-N 2.84Å; L143-F146 PolarHBondContact O-N 2.88Å; V144-F146 PolarHBondContact O-N 3.38Å
147Y96.2Very high96.3Very high4 Ų461.5 Ų61.52%0.01632%0.322CS..Hα-helixtrans-82-28.6-178.3-75.2-92.1000112.9E66 R83 G86 R87 L143 K151 L152E66-Y147 HydrophobicContact CG-CE1 4.05Å; E66-Y147 PolarHBondContact OE1-OH 3.24Å; R83-Y147 PolarHBondContact O-OH 2.83Å; G86-Y147 VanDerWaalsContact CA-CZ 3.49Å; R87-Y147 PolarHBondContact N-OH 3.11Å; L143-Y147 HydrophobicContact CD2-CD2 3.75Å; L143-Y147 HydrophobicContact CD2-CE2 3.88Å; L143-Y147 WeakPolarHBondContact O-CB 3.49Å; L143-Y147 PolarHBondContact O-N 3.41Å; Y147-K151 WeakPolarHBondContact O-CD 3.12Å; Y147-L152 HydrophobicContact CG-CD2 4.35Å
148G94.1Very high96.3Very high28 Ų2857.6 Ų57.629%0.28930%0.304SS..  trans82.6138.8-173.800000112.5V144 K150 K151V144-G148 WeakPolarHBondContact O-CA 3.48Å; V144-G148 PolarHBondContact O-N 3.28Å; G148-K150 VanDerWaalsContact C-N 3.26Å; G148-K150 PolarHBondContact O-N 3.2Å; G148-K150 VanDerWaalsContact O-N 3.11Å; G148-K151 PolarHBondContact O-N 3.2Å
149L92.3Very high96.3Very high113 Ų11353.6 Ų53.659%0.59228%0.279SS*.G310 helixtrans-54.2-36.9-172.4-168.468.2000114.1V144 K151 L152V144-L149 HydrophobicContact CG2-CD1 4.3Å; L149-K151 PolarHBondContact O-N 3.24Å; L149-L152 PolarHBondContact O-N 3.47Å
150K89.8Confident96.3Very high207 Ų20753.5 Ų53.590%0.928%0.279SS*.G310 helixtrans-67.8-16.2-179.9-64.8-176.5179-179.40114.1G148G148-K150 VanDerWaalsContact C-N 3.26Å; G148-K150 PolarHBondContact O-N 3.2Å; G148-K150 VanDerWaalsContact O-N 3.11Å
151K88.7Confident96.3Very high92 Ų9251.7 Ų51.740%0.427%0.272SS..G310 helixtrans-107.817.7-179.2-55.9-173.1-165.1160.90112.2Y147 G148 L149Y147-K151 WeakPolarHBondContact O-CD 3.12Å; G148-K151 PolarHBondContact O-N 3.2Å; L149-K151 PolarHBondContact O-N 3.24Å
152L94.2Very high96.3Very high15 Ų1548.6 Ų48.68%0.07925%0.25CC..SBendtrans-124.9158.1-179-70.7178.3000109.9V89 L143 V144 Y147 L149 I158V89-L152 HydrophobicContact CG1-CD2 3.91Å; L143-L152 HydrophobicContact CB-CD1 4.11Å; V144-L152 HydrophobicContact CG2-CD1 4.08Å; Y147-L152 HydrophobicContact CG-CD2 4.35Å; L149-L152 PolarHBondContact O-N 3.47Å; L152-I158 HydrophobicContact CB-CD1 3.98Å; L152-I158 HydrophobicContact CD2-CD1 4.41Å
153L96.4Very high96.2Very high21 Ų2147.7 Ų47.711%0.1124%0.242CC..  trans-76.3174.4167.8-64.2169.5000110V89 Q92 M93 T157 I158 I161V89-L153 HydrophobicContact CG1-CB 4.32Å; V89-L153 HydrophobicContact CG1-CD1 4.1Å; V89-L153 HydrophobicContact CG1-CG 4.02Å; Q92-L153 HydrophobicContact CB-CD1 4.12Å; Q92-L153 HydrophobicContact CG-CD1 3.86Å; M93-L153 HydrophobicContact CG-CD1 4.19Å; M93-L153 HydrophobicContact CG-CD2 3.48Å; M93-L153 VanDerWaalsContact CG-CD2 3.48Å; M93-L153 HydrophobicContact CG-CG 3.56Å; M93-L153 HydrophobicContact SD-CG 4.35Å; L153-T157 HydrophobicContact CB-CG2 4.15Å; L153-T157 HydrophobicContact CD1-CG2 3.71Å; L153-T157 HydrophobicContact CG-CG2 4.45Å; L153-I158 HydrophobicContact CB-CD1 4.49Å; L153-I158 HydrophobicContact CB-CG1 4.03Å; L153-I158 WeakPolarHBondContact O-CD1 3.36Å; L153-I161 HydrophobicContact CD1-CD1 3.72Å
154D96.9Very high96.2Very high87 Ų8748.5 Ų48.547%0.46525%0.245SC..  trans-63.3155.6171.271.288.9000111.2A156 T157 I158D154-A156 VanDerWaalsContact C-N 3.27Å; D154-A156 PolarHBondContact O-N 3.06Å; D154-A156 WeakPolarHBondContact OD1-CA 3.5Å; D154-A156 WeakPolarHBondContact OD1-CB 3.36Å; D154-A156 PolarHBondContact OD1-N 2.85Å; D154-T157 VanDerWaalsContact CG-OG1 3.31Å; D154-T157 PolarHBondContact O-N 3.23Å; D154-T157 PolarHBondContact OD1-N 2.87Å; D154-T157 PolarHBondContact OD1-OG1 2.89Å; D154-T157 VanDerWaalsContact OD2-CB 3.24Å; D154-T157 WeakPolarHBondContact OD2-CB 3.44Å; D154-T157 PolarHBondContact OD2-OG1 3.49Å; D154-I158 WeakPolarHBondContact O-CG1 3.32Å; D154-I158 PolarHBondContact O-N 3.39Å
155K97.6Very high96.2Very high75 Ų7546.3 Ų46.333%0.32623%0.232SC..Hα-helixtrans-60.2-34.8-173.9-171.5176.1-171.7-174.30113.2F136 E137 Y140 I158 F159F136-K155 HydrophobicContact CE1-CG 4.08Å; F136-K155 HydrophobicContact CZ-CG 4.36Å; E137-K155 VanDerWaalsContact OE1-CE 3.3Å; E137-K155 WeakPolarHBondContact OE1-CE 3.49Å; E137-K155 IonicContact OE1-NZ 3.88Å; E137-K155 PolarHBondContact OE1-NZ 2.72Å; E137-K155 WeakPolarHBondContact OE2-CE 3.24Å; E137-K155 IonicContact OE2-NZ 2.63Å; E137-K155 PolarHBondContact OE2-NZ 2.86Å; Y140-K155 HydrophobicContact CD1-CD 4Å; Y140-K155 HydrophobicContact CD1-CG 4.33Å; Y140-K155 HydrophobicContact CD2-CD 4.44Å; Y140-K155 HydrophobicContact CD2-CG 3.88Å; Y140-K155 HydrophobicContact CE1-CD 3.73Å; Y140-K155 HydrophobicContact CE1-CG 4.11Å; Y140-K155 HydrophobicContact CE2-CB 3.8Å; Y140-K155 HydrophobicContact CE2-CD 4.2Å; Y140-K155 HydrophobicContact CE2-CG 3.64Å; Y140-K155 HydrophobicContact CG-CD 4.34Å; Y140-K155 HydrophobicContact CG-CG 4.22Å; K155-I158 PolarHBondContact O-N 2.98Å; K155-F159 PolarHBondContact O-N 2.87Å
156A97.1Very high96.2Very high68 Ų6841.2 Ų41.256%0.56221%0.213SC*.Hα-helixtrans-70.1-43.7-179.800000110.8D154 I158 F159 S160D154-A156 VanDerWaalsContact C-N 3.27Å; D154-A156 PolarHBondContact O-N 3.06Å; D154-A156 WeakPolarHBondContact OD1-CA 3.5Å; D154-A156 WeakPolarHBondContact OD1-CB 3.36Å; D154-A156 PolarHBondContact OD1-N 2.85Å; A156-I158 VanDerWaalsContact C-N 3.34Å; A156-I158 PolarHBondContact O-N 3.02Å; A156-F159 WeakPolarHBondContact O-CB 3.44Å; A156-F159 PolarHBondContact O-N 3.18Å; A156-S160 PolarHBondContact O-N 3.27Å
157T97.5Very high96.1Very high36 Ų3641.7 Ų41.722%0.22122%0.216CC..Hα-helixtrans-62-41.1173-59.40000111.6L153 D154 F159 S160 I161L153-T157 HydrophobicContact CB-CG2 4.15Å; L153-T157 HydrophobicContact CD1-CG2 3.71Å; L153-T157 HydrophobicContact CG-CG2 4.45Å; D154-T157 VanDerWaalsContact CG-OG1 3.31Å; D154-T157 PolarHBondContact O-N 3.23Å; D154-T157 PolarHBondContact OD1-N 2.87Å; D154-T157 PolarHBondContact OD1-OG1 2.89Å; D154-T157 VanDerWaalsContact OD2-CB 3.24Å; D154-T157 WeakPolarHBondContact OD2-CB 3.44Å; D154-T157 PolarHBondContact OD2-OG1 3.49Å; T157-F159 VanDerWaalsContact C-N 3.33Å; T157-F159 PolarHBondContact O-N 2.63Å; T157-S160 WeakPolarHBondContact O-CB 3.36Å; T157-S160 PolarHBondContact O-N 2.89Å; T157-I161 HydrophobicContact CG2-CD1 4.1Å; T157-I161 WeakPolarHBondContact O-CG1 3.35Å; T157-I161 PolarHBondContact O-N 3.33Å
158I98.3Very high96.2Very high0 Ų042 Ų420%022%0.218CC..Hα-helixtrans-63.2-39.4175.7-67172000111.3L85 V89 F136 Y140 L143 L152 L153 D154 K155 A156 S160 I161 H162L85-I158 HydrophobicContact CD2-CG2 4.29Å; V89-I158 HydrophobicContact CG1-CG1 4.29Å; V89-I158 HydrophobicContact CG2-CG1 4.07Å; V89-I158 HydrophobicContact CG2-CG2 4.4Å; F136-I158 HydrophobicContact CE2-CG2 4.03Å; F136-I158 HydrophobicContact CZ-CG2 4.11Å; Y140-I158 HydrophobicContact CD2-CD1 4.4Å; Y140-I158 HydrophobicContact CD2-CG2 4.4Å; Y140-I158 HydrophobicContact CE2-CD1 4.04Å; L143-I158 HydrophobicContact CD1-CG2 3.99Å; L152-I158 HydrophobicContact CB-CD1 3.98Å; L152-I158 HydrophobicContact CD2-CD1 4.41Å; L153-I158 HydrophobicContact CB-CD1 4.49Å; L153-I158 HydrophobicContact CB-CG1 4.03Å; L153-I158 WeakPolarHBondContact O-CD1 3.36Å; D154-I158 WeakPolarHBondContact O-CG1 3.32Å; D154-I158 PolarHBondContact O-N 3.39Å; K155-I158 PolarHBondContact O-N 2.98Å; A156-I158 VanDerWaalsContact C-N 3.34Å; A156-I158 PolarHBondContact O-N 3.02Å; I158-S160 VanDerWaalsContact C-N 3.34Å; I158-I161 PolarHBondContact O-N 3.35Å; I158-H162 VanDerWaalsContact O-CB 3.28Å; I158-H162 WeakPolarHBondContact O-CB 3.28Å; I158-H162 PolarHBondContact O-N 3.44Å
159F98.2Very high96.4Very high16 Ų1643.1 Ų43.17%0.0721%0.214CC..Hα-helixtrans-62.2-42.9174.4-173.4-93.9000111.8E123 M126 K127 F136 K155 A156 T157 I161 H162 S163E123-F159 HydrophobicContact CG-CD1 3.64Å; E123-F159 HydrophobicContact CG-CE1 3.51Å; M126-F159 HydrophobicContact CB-CE1 4.41Å; M126-F159 HydrophobicContact CB-CZ 3.85Å; K127-F159 HydrophobicContact CD-CE1 4.21Å; K127-F159 HydrophobicContact CG-CD1 4.31Å; K127-F159 HydrophobicContact CG-CE1 3.49Å; K127-F159 VanDerWaalsContact CG-CE1 3.49Å; K127-F159 HydrophobicContact CG-CZ 3.83Å; F136-F159 HydrophobicContact CB-CD2 4.21Å; F136-F159 HydrophobicContact CB-CE2 4.11Å; F136-F159 AromaticContact CD1-CD2 3.49Å; F136-F159 HydrophobicContact CD1-CD2 3.49Å; F136-F159 VanDerWaalsContact CD1-CD2 3.49Å; F136-F159 HydrophobicContact CD1-CE2 4.1Å; F136-F159 AromaticContact CD2-CD2 3.72Å; F136-F159 HydrophobicContact CD2-CD2 3.72Å; F136-F159 HydrophobicContact CD2-CE2 4.36Å; F136-F159 HydrophobicContact CE1-CB 4Å; F136-F159 AromaticContact CE1-CD2 3.64Å; F136-F159 HydrophobicContact CE1-CD2 3.64Å; F136-F159 HydrophobicContact CE1-CG 4.3Å; F136-F159 HydrophobicContact CE2-CB 4.04Å; F136-F159 AromaticContact CE2-CD2 3.87Å; F136-F159 HydrophobicContact CE2-CD2 3.87Å; F136-F159 HydrophobicContact CE2-CG 4.44Å; F136-F159 AromaticContact CG-CD2 3.51Å; F136-F159 HydrophobicContact CG-CD2 3.51Å; F136-F159 AromaticContact CG-CE2 3.91Å; F136-F159 HydrophobicContact CG-CE2 3.91Å; F136-F159 HydrophobicContact CZ-CB 3.63Å; F136-F159 AromaticContact CZ-CD2 3.82Å; F136-F159 HydrophobicContact CZ-CD2 3.82Å; F136-F159 HydrophobicContact CZ-CG 4.24Å; K155-F159 PolarHBondContact O-N 2.87Å; A156-F159 WeakPolarHBondContact O-CB 3.44Å; A156-F159 PolarHBondContact O-N 3.18Å; T157-F159 VanDerWaalsContact C-N 3.33Å; T157-F159 PolarHBondContact O-N 2.63Å; F159-I161 VanDerWaalsContact C-N 3.33Å; F159-I161 PolarHBondContact O-N 3.04Å; F159-H162 WeakPolarHBondContact O-CB 3.36Å; F159-H162 PolarHBondContact O-N 3.28Å; F159-S163 PolarHBondContact O-N 2.83Å
160S98Very high96.7Very high15 Ų1538.1 Ų38.111%0.10519%0.187CC..Hα-helixtrans-62.6-39.2177.3-158.80000112.5E123 A156 T157 I158 R164E123-S160 WeakPolarHBondContact OE2-CA 3.39Å; E123-S160 WeakPolarHBondContact OE2-CB 3.45Å; E123-S160 PolarHBondContact OE2-OG 3.09Å; A156-S160 PolarHBondContact O-N 3.27Å; T157-S160 WeakPolarHBondContact O-CB 3.36Å; T157-S160 PolarHBondContact O-N 2.89Å; I158-S160 VanDerWaalsContact C-N 3.34Å; S160-R164 PolarHBondContact O-N 2.66Å; S160-R164 PolarHBondContact O-NH1 3.36Å; S160-R164 VanDerWaalsContact O-NH1 3.1Å; S160-R164 PolarHBondContact OG-NH1 3.25Å
161I98.4Very high97Very high0 Ų030 Ų300%016%0.159CC..Hα-helixtrans-69.6-42.4173.4-66.9169000111.1L85 I88 V89 Q92 L116 M117 L153 T157 I158 F159 S163 R164 N165L85-I161 HydrophobicContact CD1-CB 4.44Å; L85-I161 HydrophobicContact CD1-CG2 3.71Å; I88-I161 HydrophobicContact CB-CG2 4.28Å; I88-I161 HydrophobicContact CG2-CG2 3.38Å; V89-I161 HydrophobicContact CG2-CD1 4.1Å; V89-I161 HydrophobicContact CG2-CG2 4.27Å; Q92-I161 HydrophobicContact CB-CD1 4.08Å; Q92-I161 HydrophobicContact CG-CD1 3.95Å; L116-I161 HydrophobicContact CD2-CD1 4.4Å; L116-I161 HydrophobicContact CD2-CG1 4.14Å; L116-I161 HydrophobicContact CD2-CG2 4.19Å; M117-I161 HydrophobicContact SD-CG1 4.4Å; L153-I161 HydrophobicContact CD1-CD1 3.72Å; T157-I161 HydrophobicContact CG2-CD1 4.1Å; T157-I161 WeakPolarHBondContact O-CG1 3.35Å; T157-I161 PolarHBondContact O-N 3.33Å; I158-I161 PolarHBondContact O-N 3.35Å; F159-I161 VanDerWaalsContact C-N 3.33Å; F159-I161 PolarHBondContact O-N 3.04Å; I161-S163 VanDerWaalsContact C-N 3.31Å; I161-S163 PolarHBondContact O-N 3.1Å; I161-R164 PolarHBondContact O-N 3.41Å; I161-N165 WeakPolarHBondContact O-CB 3.28Å; I161-N165 PolarHBondContact O-N 3.49Å
162H98.2Very high97.5Very high7 Ų725.6 Ų25.63%0.03214%0.139CC..Hα-helixtrans-58-45177.9171.871.8000111.2L85 F136 I158 F159 R164 N165 Y166L85-H162 HydrophobicContact CD1-CB 4.16Å; L85-H162 HydrophobicContact CD2-CB 3.82Å; F136-H162 HydrophobicContact CD2-CB 3.96Å; F136-H162 AromaticContact CD2-CD2 3.6Å; F136-H162 AromaticContact CD2-CG 3.69Å; F136-H162 HydrophobicContact CE2-CB 3.86Å; I158-H162 VanDerWaalsContact O-CB 3.28Å; I158-H162 WeakPolarHBondContact O-CB 3.28Å; I158-H162 PolarHBondContact O-N 3.44Å; F159-H162 WeakPolarHBondContact O-CB 3.36Å; F159-H162 PolarHBondContact O-N 3.28Å; H162-R164 PolarHBondContact O-N 3.4Å; H162-N165 PolarHBondContact O-N 2.8Å; H162-Y166 VanDerWaalsContact O-CB 3.32Å; H162-Y166 WeakPolarHBondContact O-CB 3.32Å; H162-Y166 PolarHBondContact O-N 2.6Å
163S97.8Very high97.6Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-59.1-47177.3-175.50000111.8H122 E123 M126 F159 I161 Y166 I167H122-S163 PolarHBondContact N-OG 3.04Å; E123-S163 PolarHBondContact N-OG 3Å; M126-S163 VanDerWaalsContact SD-CA 3.54Å; M126-S163 VanDerWaalsContact SD-CB 3.56Å; M126-S163 PolarHBondContact SD-OG 3.37Å; F159-S163 PolarHBondContact O-N 2.83Å; I161-S163 VanDerWaalsContact C-N 3.31Å; I161-S163 PolarHBondContact O-N 3.1Å; S163-Y166 PolarHBondContact O-N 3.24Å; S163-I167 VanDerWaalsContact O-CG1 3.31Å; S163-I167 WeakPolarHBondContact O-CG1 3.4Å; S163-I167 PolarHBondContact O-N 3.44Å; S163-I167 VanDerWaalsContact O-N 3.1Å
164R98.1Very high97.5Very high17 Ų1725.9 Ų25.96%0.06414%0.142CC..Hα-helixtrans-61.5-47.9176.1-73.7175.9173.276.4-4.5112.7L116 M117 I119 H121 S160 I161 H162 Y166 I167 N168L116-R164 WeakPolarHBondContact O-CD 3.17Å; M117-R164 PolarHBondContact O-NE 3.37Å; M117-R164 PolarHBondContact O-NH2 3.25Å; I119-R164 HydrophobicContact CD1-CB 3.98Å; I119-R164 HydrophobicContact CG1-CB 3.79Å; I119-R164 HydrophobicContact CG1-CG 3.91Å; I119-R164 PolarHBondContact O-NE 2.91Å; H121-R164 HydrophobicContact CB-CG 3.7Å; H121-R164 PolarHBondContact CD2-NH1 2.9Å; H121-R164 PolarHBondContact CD2-NH2 3.11Å; H121-R164 PolarHBondContact NE2-NH2 3.4Å; S160-R164 PolarHBondContact O-N 2.66Å; S160-R164 PolarHBondContact O-NH1 3.36Å; S160-R164 VanDerWaalsContact O-NH1 3.1Å; S160-R164 PolarHBondContact OG-NH1 3.25Å; I161-R164 PolarHBondContact O-N 3.41Å; H162-R164 PolarHBondContact O-N 3.4Å; R164-Y166 VanDerWaalsContact C-N 3.32Å; R164-Y166 PolarHBondContact O-N 3.39Å; R164-I167 PolarHBondContact O-N 2.65Å; R164-N168 VanDerWaalsContact O-CB 3.3Å; R164-N168 WeakPolarHBondContact O-CB 3.47Å; R164-N168 PolarHBondContact O-N 2.83Å; R164-N168 PolarHBondContact O-ND2 2.85Å
165N98.1Very high97.1Very high0 Ų024.5 Ų24.50%013%0.134CC..Hα-helixtrans-58.5-45.5176.517261000111.3I88 I161 H162 I167 N168 R169I88-N165 HydrophobicContact CD1-CB 3.85Å; I88-N165 WeakPolarHBondContact CD1-OD1 3.24Å; I161-N165 WeakPolarHBondContact O-CB 3.28Å; I161-N165 PolarHBondContact O-N 3.49Å; H162-N165 PolarHBondContact O-N 2.8Å; N165-I167 VanDerWaalsContact C-N 3.34Å; N165-I167 PolarHBondContact O-N 3.1Å; N165-N168 PolarHBondContact O-N 2.92Å; N165-R169 WeakPolarHBondContact O-CB 3.49Å; N165-R169 WeakPolarHBondContact O-CD 3.29Å; N165-R169 VanDerWaalsContact O-CG 3.29Å; N165-R169 WeakPolarHBondContact O-CG 3.47Å; N165-R169 PolarHBondContact O-N 3.36Å
166Y96.7Very high96.6Very high62 Ų6221.6 Ų21.624%0.24312%0.123CC..Hα-helixtrans-61.3-44.8-178.2-169-94.2000111.3M126 H162 S163 R164 R169M126-Y166 HydrophobicContact CE-CD1 4.14Å; M126-Y166 HydrophobicContact CE-CG 4.1Å; H162-Y166 VanDerWaalsContact O-CB 3.32Å; H162-Y166 WeakPolarHBondContact O-CB 3.32Å; H162-Y166 PolarHBondContact O-N 2.6Å; S163-Y166 PolarHBondContact O-N 3.24Å; R164-Y166 VanDerWaalsContact C-N 3.32Å; R164-Y166 PolarHBondContact O-N 3.39Å; Y166-R169 PolarHBondContact O-NH1 2.74Å
167I96.4Very high96.2Very high12 Ų1221.9 Ų21.96%0.06211%0.111CC..Hα-helixtrans-72.3-33.5-179.2-62-58.2000112.9H122 S163 R164 N165 S247 W248 Y249H122-I167 HydrophobicContact CB-CD1 4.44Å; S163-I167 VanDerWaalsContact O-CG1 3.31Å; S163-I167 WeakPolarHBondContact O-CG1 3.4Å; S163-I167 PolarHBondContact O-N 3.44Å; S163-I167 VanDerWaalsContact O-N 3.1Å; R164-I167 PolarHBondContact O-N 2.65Å; N165-I167 VanDerWaalsContact C-N 3.34Å; N165-I167 PolarHBondContact O-N 3.1Å; I167-S247 WeakPolarHBondContact CD1-O 3.28Å; I167-W248 PolarHBondContact O-NE1 3.47Å; I167-Y249 HydrophobicContact CD1-CD2 3.85Å; I167-Y249 HydrophobicContact CD1-CE2 3.9Å
168N97.8Very high95.6Very high11 Ų1125 Ų256%0.05913%0.125CC..Hα-helixtrans-112.8-1-165.5-63.8-97.1000115.1I119 W120 R164 N165 H170 L185 C190I119-N168 HydrophobicContact CD1-CB 3.88Å; W120-N168 PolarHBondContact O-ND2 3.11Å; R164-N168 VanDerWaalsContact O-CB 3.3Å; R164-N168 WeakPolarHBondContact O-CB 3.47Å; R164-N168 PolarHBondContact O-N 2.83Å; R164-N168 PolarHBondContact O-ND2 2.85Å; N165-N168 PolarHBondContact O-N 2.92Å; N168-H170 PolarHBondContact O-CE1 3.37Å; N168-H170 VanDerWaalsContact O-CE1 3.28Å; N168-H170 PolarHBondContact O-ND1 3.26Å; N168-L185 HydrophobicContact CB-CD1 3.66Å; N168-C190 HydrophobicContact CB-CB 3.76Å; N168-C190 WeakPolarHBondContact OD1-CB 3.44Å; N168-C190 PolarHBondContact OD1-SG 3.44Å
169R97.7Very high95.3Very high52 Ų5229.6 Ų29.620%0.19615%0.145CC..EExtended strand (participates in β ladder)trans-71.4144177.968.1-166-170.3-56.18.3111.6E81 L84 N165 Y166E81-R169 IonicContact OE1-CZ 3.4Å; E81-R169 IonicContact OE1-NE 2.66Å; E81-R169 PolarHBondContact OE1-NE 2.82Å; E81-R169 IonicContact OE1-NH2 3.43Å; E81-R169 PolarHBondContact OE1-NH2 3.46Å; E81-R169 VanDerWaalsContact OE1-NH2 3.07Å; E81-R169 IonicContact OE2-CZ 2.94Å; E81-R169 IonicContact OE2-NE 3.59Å; E81-R169 PolarHBondContact OE2-NE 2.74Å; E81-R169 IonicContact OE2-NH2 2.86Å; E81-R169 PolarHBondContact OE2-NH2 2.73Å; L84-R169 HydrophobicContact CD2-CB 4.47Å; N165-R169 WeakPolarHBondContact O-CB 3.49Å; N165-R169 WeakPolarHBondContact O-CD 3.29Å; N165-R169 VanDerWaalsContact O-CG 3.29Å; N165-R169 WeakPolarHBondContact O-CG 3.47Å; N165-R169 PolarHBondContact O-N 3.36Å; Y166-R169 PolarHBondContact O-NH1 2.74Å
170H98Very high95.3Very high8 Ų832.4 Ų32.44%0.03716%0.159CC..EExtended strand (participates in β ladder)trans-110.1144.9179-59.188.5000110.8N168 K183 G184 Y186 C190 Y202 Y228N168-H170 PolarHBondContact O-CE1 3.37Å; N168-H170 VanDerWaalsContact O-CE1 3.28Å; N168-H170 PolarHBondContact O-ND1 3.26Å; H170-K183 CarbonylContact O-C 3.57Å; H170-K183 VanDerWaalsContact O-CA 3.27Å; H170-K183 WeakPolarHBondContact O-CA 3.4Å; H170-G184 PolarHBondContact N-O 3.44Å; H170-G184 PolarHBondContact O-N 2.99Å; H170-Y186 HydrophobicContact CB-CD2 3.88Å; H170-Y186 HydrophobicContact CB-CE2 4.06Å; H170-Y186 AromaticContact CG-CD2 3.94Å; H170-Y186 AromaticContact ND1-CD2 3.49Å; H170-Y186 WeakPolarHBondContact ND1-CD2 3.42Å; H170-C190 PolarHBondContact CE1-N 3.4Å; H170-Y202 HydrophobicContact CB-CE2 4.49Å; H170-Y228 PolarHBondContact CD2-OH 3.1Å; H170-Y228 AromaticContact NE2-CZ 3.65Å; H170-Y228 PolarHBondContact NE2-OH 3.33Å
171A97.5Very high95.2Very high36 Ų3631.8 Ų31.830%0.29815%0.154SC..EExtended strand (participates in β ladder)trans-64.7135.9163.500000109.6E180 Y202A171-E180 HydrophobicContact CB-CG 3.86Å; A171-Y202 PolarHBondContact N-OH 2.97Å; A171-Y202 WeakPolarHBondContact O-CE2 3.41Å; A171-Y202 PolarHBondContact O-OH 2.91Å
172I98.3Very high95.2Very high0 Ų031.8 Ų31.80%015%0.154CC..EExtended strand (participates in β ladder)trans-102.6116170.1-58.8-178000107.1Y16 L31 I181 G182 Y186 C204 S206Y16-I172 HydrophobicContact CG-CD1 4.4Å; L31-I172 HydrophobicContact CD1-CD1 4.15Å; L31-I172 HydrophobicContact CD1-CG2 3.8Å; I172-I181 HydrophobicContact CG2-CG1 4.22Å; I172-I181 WeakPolarHBondContact O-CG1 3.46Å; I172-I181 PolarHBondContact O-N 3.42Å; I172-G182 WeakPolarHBondContact CB-O 3.21Å; I172-G182 PolarHBondContact N-O 2.93Å; I172-G182 PolarHBondContact O-N 3.44Å; I172-Y186 HydrophobicContact CD1-CE2 4.42Å; I172-Y186 WeakPolarHBondContact CD1-OH 3.2Å; I172-Y186 HydrophobicContact CG1-CE2 4.22Å; I172-Y186 WeakPolarHBondContact CG1-OH 3.29Å; I172-C204 HydrophobicContact CG2-CB 3.94Å; I172-S206 VanDerWaalsContact CG2-O 3.22Å; I172-S206 WeakPolarHBondContact CG2-O 3.46Å
173S95.7Very high95.3Very high13 Ų1333.3 Ų33.39%0.09116%0.161CC..EExtended strand (participates in β ladder)trans-82159.5177.169.70000112.2K179 C204S173-K179 CarbonylContact C-O 3.36Å; S173-K179 VanDerWaalsContact CA-O 3.28Å; S173-K179 WeakPolarHBondContact CA-O 3.39Å; S173-C204 PolarHBondContact OG-N 3.46Å
174D94.1Very high95.3Very high28 Ų2833.3 Ų33.315%0.1516%0.161CC..PPolyproline II helixtrans-63.3172.7159.574.4-34.8000111.4S176 Y177 L178 K179 I181D174-S176 PolarHBondContact O-N 3.22Å; D174-Y177 PolarHBondContact O-N 2.99Å; D174-Y177 PolarHBondContact OD1-N 3.29Å; D174-Y177 VanDerWaalsContact OD1-N 3.14Å; D174-L178 PolarHBondContact OD1-N 2.75Å; D174-K179 PolarHBondContact N-O 3.37Å; D174-K179 PolarHBondContact OD1-N 2.97Å; D174-I181 HydrophobicContact CB-CG2 3.89Å
175L89.2Confident95.3Very high59 Ų5932.5 Ų32.531%0.30916%0.158SC..THydrogen-bonded Turntrans-61.9-30.4-177.8-170.366.4000112.4Y177 Q205 H429 E430L175-Y177 VanDerWaalsContact C-N 3.27Å; L175-Y177 PolarHBondContact O-N 3.22Å; L175-Q205 HydrophobicContact CD1-CB 4.17Å; L175-Q205 HydrophobicContact CD1-CG 3.91Å; L175-H429 PolarHBondContact O-CE1 3.45Å; L175-H429 PolarHBondContact O-NE2 3.46Å; L175-E430 WeakPolarHBondContact CD2-OE2 3.4Å
176S88.1Confident95.3Very high13 Ų1332.5 Ų32.59%0.09116%0.158CC..THydrogen-bonded Turntrans-83.1-2.2-179.8-61.10000113.1D174 L178 L431D174-S176 PolarHBondContact O-N 3.22Å; S176-L178 PolarHBondContact O-N 2.93Å; S176-L431 WeakPolarHBondContact O-CD1 3.22Å
177Y87.3Confident95.3Very high75 Ų7529.7 Ų29.729%0.29415%0.147SC..SBendtrans60.420.5-175.7-177.2-103.5000113.6D174 L175 I201 T203 P389D174-Y177 PolarHBondContact O-N 2.99Å; D174-Y177 PolarHBondContact OD1-N 3.29Å; D174-Y177 VanDerWaalsContact OD1-N 3.14Å; L175-Y177 VanDerWaalsContact C-N 3.27Å; L175-Y177 PolarHBondContact O-N 3.22Å; Y177-I201 HydrophobicContact CE1-CD1 4.31Å; Y177-I201 HydrophobicContact CE2-CD1 4.47Å; Y177-T203 HydrophobicContact CD2-CG2 3.73Å; Y177-T203 HydrophobicContact CE2-CG2 4.21Å; Y177-T203 HydrophobicContact CG-CG2 4.08Å; Y177-P389 HydrophobicContact CD1-CB 4.05Å; Y177-P389 HydrophobicContact CE1-CB 4.1Å
178L86.3Confident95.3Very high101 Ų10130 Ų3053%0.52915%0.149SC..SBendtrans-97.3-20.5-175.8-63.4-179.1000113D174 S176 Y393D174-L178 PolarHBondContact OD1-N 2.75Å; S176-L178 PolarHBondContact O-N 2.93Å; L178-Y393 HydrophobicContact CD2-CD2 4.23Å; L178-Y393 HydrophobicContact CD2-CE2 4.06Å
179K92.2Very high95.2Very high96 Ų9629.5 Ų29.542%0.41715%0.146SC..SBendtrans-143.5135.7-173.6-179178.2178.2-175.80111.5E22 S173 D174 I181E22-K179 WeakPolarHBondContact OE1-CE 3.31Å; E22-K179 IonicContact OE1-NZ 3.66Å; E22-K179 PolarHBondContact OE1-NZ 3.25Å; E22-K179 IonicContact OE2-NZ 3.13Å; E22-K179 PolarHBondContact OE2-NZ 2.81Å; S173-K179 CarbonylContact C-O 3.36Å; S173-K179 VanDerWaalsContact CA-O 3.28Å; S173-K179 WeakPolarHBondContact CA-O 3.39Å; D174-K179 PolarHBondContact N-O 3.37Å; D174-K179 PolarHBondContact OD1-N 2.97Å; K179-I181 HydrophobicContact CG-CG2 4.42Å
180E96.4Very high95.2Very high76 Ų7627.6 Ų27.636%0.35514%0.14SC..EExtended strand (participates in β ladder)trans-70.7128.4164.5-173.8-179.3151.800109.4L19 A171 G182 K183L19-E180 HydrophobicContact CD1-CB 4.22Å; L19-E180 HydrophobicContact CD1-CG 3.9Å; L19-E180 VanDerWaalsContact CD1-O 3.26Å; L19-E180 WeakPolarHBondContact CD1-O 3.4Å; A171-E180 HydrophobicContact CB-CG 3.86Å; E180-G182 WeakPolarHBondContact CG-O 3.49Å; E180-K183 WeakPolarHBondContact OE1-CE 3.27Å; E180-K183 WeakPolarHBondContact OE1-CG 3.5Å
181I97.8Very high95.1Very high2 Ų228.2 Ų28.21%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-116.3-12.3179.963.2167.6000112.8L18 L19 E22 Y26 L31 I172 D174 K179L18-I181 WeakPolarHBondContact CA-O 3.45Å; L18-I181 WeakPolarHBondContact CD2-O 3.47Å; L19-I181 PolarHBondContact N-O 3.48Å; E22-I181 HydrophobicContact CG-CB 4.37Å; Y26-I181 HydrophobicContact CD1-CD1 4.08Å; Y26-I181 HydrophobicContact CE1-CD1 3.87Å; Y26-I181 HydrophobicContact CE1-CG2 4.24Å; Y26-I181 HydrophobicContact CE2-CB 4.29Å; Y26-I181 HydrophobicContact CE2-CG2 3.92Å; Y26-I181 WeakPolarHBondContact OH-CG2 3.14Å; L31-I181 HydrophobicContact CB-CD1 4.12Å; L31-I181 HydrophobicContact CD1-CD1 4.49Å; I172-I181 HydrophobicContact CG2-CG1 4.22Å; I172-I181 WeakPolarHBondContact O-CG1 3.46Å; I172-I181 PolarHBondContact O-N 3.42Å; D174-I181 HydrophobicContact CB-CG2 3.89Å; K179-I181 HydrophobicContact CG-CG2 4.42Å
182G98.4Very high95.1Very high0 Ų026.7 Ų26.70%013%0.132CC..EExtended strand (participates in β ladder)trans-172.2179.7-178.100000112.6A17 I172 E180A17-G182 CarbonylContact O-C 3.58Å; A17-G182 WeakPolarHBondContact O-CA 3.3Å; I172-G182 WeakPolarHBondContact CB-O 3.21Å; I172-G182 PolarHBondContact N-O 2.93Å; I172-G182 PolarHBondContact O-N 3.44Å; E180-G182 WeakPolarHBondContact CG-O 3.49Å
183K98.6Very high95Very high39 Ų3931.2 Ų31.217%0.1716%0.156CC..EExtended strand (participates in β ladder)trans-126.8144.9173.9-63.5179.7-168-178.80109.8Y16 A17 I80 E81 L84 H170 E180Y16-K183 CarbonylContact C-O 3.58Å; Y16-K183 WeakPolarHBondContact CA-O 3.41Å; Y16-K183 WeakPolarHBondContact CB-O 3.44Å; A17-K183 PolarHBondContact N-O 2.95Å; A17-K183 PolarHBondContact O-N 3.28Å; I80-K183 HydrophobicContact CD1-CB 3.73Å; I80-K183 HydrophobicContact CD1-CD 3.93Å; I80-K183 HydrophobicContact CD1-CG 3.63Å; E81-K183 IonicContact OE1-NZ 3.73Å; E81-K183 PolarHBondContact OE1-NZ 3.37Å; L84-K183 HydrophobicContact CD2-CB 3.86Å; H170-K183 CarbonylContact O-C 3.57Å; H170-K183 VanDerWaalsContact O-CA 3.27Å; H170-K183 WeakPolarHBondContact O-CA 3.4Å; E180-K183 WeakPolarHBondContact OE1-CE 3.27Å; E180-K183 WeakPolarHBondContact OE1-CG 3.5Å
184G98.3Very high95.1Very high0 Ų031.2 Ų31.20%016%0.155CC..EExtended strand (participates in β ladder)trans-140.3146.2176.300000112.3A15 H170 Y186A15-G184 CarbonylContact O-C 3.57Å; A15-G184 WeakPolarHBondContact O-CA 3.4Å; H170-G184 PolarHBondContact N-O 3.44Å; H170-G184 PolarHBondContact O-N 2.99Å; G184-Y186 WeakPolarHBondContact O-CD2 3.3Å
185L98.3Very high95.3Very high0 Ų030.3 Ų30.30%015%0.151CC..EExtended strand (participates in β ladder)trans-94.9110.3170.7-179.363.2000108.8P13 F14 A15 I88 L116 I119 N168 L187P13-L185 CarbonylContact C-O 3.54Å; P13-L185 WeakPolarHBondContact CA-O 3.22Å; F14-L185 WeakPolarHBondContact CB-O 3.04Å; F14-L185 HydrophobicContact CD1-CD2 4.26Å; F14-L185 PolarHBondContact N-O 3.32Å; A15-L185 PolarHBondContact O-N 2.83Å; I88-L185 HydrophobicContact CD1-CB 4.13Å; I88-L185 HydrophobicContact CD1-CD2 3.87Å; I88-L185 HydrophobicContact CG1-CD2 4.33Å; I88-L185 HydrophobicContact CG2-CD2 4.41Å; L116-L185 HydrophobicContact CD1-CD2 3.57Å; I119-L185 HydrophobicContact CD1-CD1 3.84Å; I119-L185 HydrophobicContact CD1-CD2 4.15Å; I119-L185 HydrophobicContact CD1-CG 4.46Å; N168-L185 HydrophobicContact CB-CD1 3.66Å; L185-L187 HydrophobicContact CD2-CD2 4.17Å; L185-L187 HydrophobicContact CG-CD2 4.25Å
186Y97.8Very high95.8Very high0 Ų027.5 Ų27.50%014%0.136CC..  trans-108.897.7-179.9-63.6-103.9000109.4F11 P13 H170 I172 G184 D188 L189 C190 F207 A209F11-Y186 HydrophobicContact CB-CD1 4.06Å; P13-Y186 HydrophobicContact CB-CD1 3.88Å; P13-Y186 HydrophobicContact CB-CD2 4.3Å; P13-Y186 HydrophobicContact CB-CE1 3.67Å; P13-Y186 HydrophobicContact CB-CE2 4.11Å; P13-Y186 HydrophobicContact CB-CG 4.2Å; P13-Y186 HydrophobicContact CG-CE1 3.96Å; H170-Y186 HydrophobicContact CB-CD2 3.88Å; H170-Y186 HydrophobicContact CB-CE2 4.06Å; H170-Y186 AromaticContact CG-CD2 3.94Å; H170-Y186 AromaticContact ND1-CD2 3.49Å; H170-Y186 WeakPolarHBondContact ND1-CD2 3.42Å; I172-Y186 HydrophobicContact CD1-CE2 4.42Å; I172-Y186 WeakPolarHBondContact CD1-OH 3.2Å; I172-Y186 HydrophobicContact CG1-CE2 4.22Å; I172-Y186 WeakPolarHBondContact CG1-OH 3.29Å; G184-Y186 WeakPolarHBondContact O-CD2 3.3Å; Y186-D188 PolarHBondContact O-N 3.39Å; Y186-L189 HydrophobicContact CG-CB 4.43Å; Y186-L189 HydrophobicContact CG-CD2 4.45Å; Y186-L189 PolarHBondContact O-N 2.97Å; Y186-L189 VanDerWaalsContact O-N 3.09Å; Y186-C190 PolarHBondContact O-N 3.43Å; Y186-C190 PolarHBondContact O-SG 2.78Å; Y186-C190 VanDerWaalsContact O-SG 3.4Å; Y186-F207 WeakPolarHBondContact CE1-O 3.49Å; Y186-F207 PolarHBondContact OH-O 3.42Å; Y186-A209 HydrophobicContact CD1-CB 4.1Å; Y186-A209 HydrophobicContact CE1-CB 3.69Å
187L97Very high96.2Very high3 Ų330.6 Ų30.62%0.01615%0.146CC..THydrogen-bonded Turntrans-56.2-31.4-171.8-62.9176.3000113.4F14 R114 L116 I119 L185 C190F14-L187 HydrophobicContact CB-CD1 3.86Å; F14-L187 HydrophobicContact CB-CD2 4.38Å; F14-L187 HydrophobicContact CB-CG 3.74Å; F14-L187 HydrophobicContact CD2-CD1 3.78Å; F14-L187 HydrophobicContact CG-CD1 3.9Å; F14-L187 HydrophobicContact CG-CG 4.2Å; R114-L187 VanDerWaalsContact CD-O 3.31Å; R114-L187 WeakPolarHBondContact CD-O 3.38Å; R114-L187 PolarHBondContact NH1-O 3.34Å; L116-L187 HydrophobicContact CD1-CD2 4.37Å; I119-L187 HydrophobicContact CD1-CD2 3.94Å; I119-L187 HydrophobicContact CG2-CD2 3.79Å; L185-L187 HydrophobicContact CD2-CD2 4.17Å; L185-L187 HydrophobicContact CG-CD2 4.25Å; L187-C190 PolarHBondContact O-SG 2.87Å; L187-C190 VanDerWaalsContact O-SG 3.36Å
188D95.8Very high96.8Very high19 Ų1927 Ų2710%0.10213%0.132CC..THydrogen-bonded Turntrans-96.8-21.2-179.4-54.6-48.6000113.4F11 R110 S112 Y186 S191F11-D188 HydrophobicContact CD1-CB 3.78Å; F11-D188 HydrophobicContact CE1-CB 3.95Å; R110-D188 WeakPolarHBondContact CG-OD2 3.41Å; R110-D188 IonicContact CZ-OD1 3.79Å; R110-D188 IonicContact CZ-OD2 3.88Å; R110-D188 IonicContact NE-OD1 2.96Å; R110-D188 IonicContact NE-OD2 2.89Å; R110-D188 PolarHBondContact NE-OD2 2.9Å; R110-D188 IonicContact NH2-OD1 3.9Å; R110-D188 PolarHBondContact NH2-OD1 2.8Å; R110-D188 IonicContact NH2-OD2 2.75Å; R110-D188 PolarHBondContact NH2-OD2 3.37Å; S112-D188 VanDerWaalsContact CB-CG 3.41Å; S112-D188 WeakPolarHBondContact CB-OD1 3.42Å; S112-D188 WeakPolarHBondContact CB-OD2 3.32Å; S112-D188 PolarHBondContact OG-OD1 2.81Å; Y186-D188 PolarHBondContact O-N 3.39Å; D188-S191 PolarHBondContact O-OG 3.29Å
189L97.4Very high97.3Very high0 Ų023.8 Ų23.80%012%0.115CC..G310 helixtrans-79.3-33.2173.9-177.961.1000110.9F11 Y186 S191 Y192 Y202 A209 L211 Y228F11-L189 HydrophobicContact CB-CB 4.19Å; F11-L189 HydrophobicContact CD1-CB 4.05Å; F11-L189 HydrophobicContact CD2-CB 4.26Å; F11-L189 HydrophobicContact CD2-CD1 3.91Å; F11-L189 HydrophobicContact CE1-CB 4.49Å; F11-L189 HydrophobicContact CE2-CD1 3.87Å; F11-L189 HydrophobicContact CG-CB 3.9Å; F11-L189 HydrophobicContact CG-CD1 4.41Å; F11-L189 HydrophobicContact CZ-CD1 4.3Å; Y186-L189 HydrophobicContact CG-CB 4.43Å; Y186-L189 HydrophobicContact CG-CD2 4.45Å; Y186-L189 PolarHBondContact O-N 2.97Å; Y186-L189 VanDerWaalsContact O-N 3.09Å; L189-S191 PolarHBondContact O-N 3.44Å; L189-Y192 HydrophobicContact CD1-CD2 4.33Å; L189-Y192 WeakPolarHBondContact O-CD2 3.3Å; L189-Y192 PolarHBondContact O-N 2.83Å; L189-Y202 HydrophobicContact CD2-CD1 4.15Å; L189-Y202 HydrophobicContact CD2-CD2 4.1Å; L189-Y202 HydrophobicContact CD2-CG 3.9Å; L189-A209 HydrophobicContact CD2-CB 3.79Å; L189-L211 HydrophobicContact CD1-CD1 4.33Å; L189-Y228 HydrophobicContact CD1-CD1 4.42Å; L189-Y228 HydrophobicContact CD1-CE1 4.02Å; L189-Y228 HydrophobicContact CG-CE1 4.24Å; L189-Y228 WeakPolarHBondContact O-CE1 3.28Å
190C96.6Very high97.6Very high12 Ų1219.3 Ų19.38%0.08110%0.096CC..G310 helixtrans-72.612.917469.50000113.5R114 N168 H170 Y186 L187R114-C190 VanDerWaalsContact NH1-C 3.34Å; R114-C190 PolarHBondContact NH1-O 3.24Å; R114-C190 PolarHBondContact NH1-SG 2.81Å; N168-C190 HydrophobicContact CB-CB 3.76Å; N168-C190 WeakPolarHBondContact OD1-CB 3.44Å; N168-C190 PolarHBondContact OD1-SG 3.44Å; H170-C190 PolarHBondContact CE1-N 3.4Å; Y186-C190 PolarHBondContact O-N 3.43Å; Y186-C190 PolarHBondContact O-SG 2.78Å; Y186-C190 VanDerWaalsContact O-SG 3.4Å; L187-C190 PolarHBondContact O-SG 2.87Å; L187-C190 VanDerWaalsContact O-SG 3.36Å
191S95.3Very high97.6Very high20 Ų2016.2 Ų16.214%0.148%0.082CC..G310 helixtrans-91.3-7.4171.3690000113.6R114 D188 L189 R223R114-S191 VanDerWaalsContact NH1-CA 3.28Å; R114-S191 VanDerWaalsContact NH1-N 3.14Å; D188-S191 PolarHBondContact O-OG 3.29Å; L189-S191 PolarHBondContact O-N 3.44Å; S191-R223 WeakPolarHBondContact OG-CD 3.27Å; S191-R223 PolarHBondContact OG-NE 3.06Å
192Y97.5Very high97.6Very high4 Ų417.8 Ų17.82%0.0169%0.088CC..SBendtrans-96137.4177-61.4-96.9000109.1F11 L189 L211 L220 R223 T226 Y230F11-Y192 HydrophobicContact CE1-CE2 4.06Å; F11-Y192 AromaticContact CZ-CE2 3.62Å; F11-Y192 HydrophobicContact CZ-CE2 3.62Å; L189-Y192 HydrophobicContact CD1-CD2 4.33Å; L189-Y192 WeakPolarHBondContact O-CD2 3.3Å; L189-Y192 PolarHBondContact O-N 2.83Å; Y192-L211 HydrophobicContact CD1-CD2 4.11Å; Y192-L211 HydrophobicContact CD2-CD2 4.3Å; Y192-L211 HydrophobicContact CE1-CD2 3.74Å; Y192-L211 HydrophobicContact CE2-CD2 3.97Å; Y192-L211 HydrophobicContact CG-CD2 4.37Å; Y192-L220 WeakPolarHBondContact CE1-O 3.14Å; Y192-L220 PolarHBondContact OH-O 2.94Å; Y192-R223 HydrophobicContact CD1-CB 4.45Å; Y192-R223 HydrophobicContact CD1-CG 4.19Å; Y192-R223 HydrophobicContact CE1-CB 4.45Å; Y192-R223 HydrophobicContact CE1-CG 3.81Å; Y192-T226 HydrophobicContact CD1-CG2 3.54Å; Y192-T226 HydrophobicContact CE1-CG2 3.73Å; Y192-Y230 PolarHBondContact O-OH 3.49Å
193D97.5Very high97.4Very high95 Ų9518.3 Ų18.351%0.5089%0.091SC..EExtended strand (participates in β ladder)trans-82163.6-175.1-75.6-35.2000113F227 Y228 Y230D193-F227 HydrophobicContact CB-CD1 3.83Å; D193-F227 HydrophobicContact CB-CE1 4Å; D193-F227 VanDerWaalsContact O-CA 3.27Å; D193-F227 WeakPolarHBondContact O-CA 3.31Å; D193-Y228 PolarHBondContact O-N 3.24Å; D193-Y230 WeakPolarHBondContact CA-OH 3.31Å
194H98Very high97.3Very high14 Ų1416.6 Ų16.67%0.0658%0.084CC..EExtended strand (participates in β ladder)trans-74.5141.8175-17955.4000112.3C196 Y228 S229 Y230 L244 F250H194-C196 PolarHBondContact NE2-N 3.43Å; H194-C196 PolarHBondContact NE2-SG 3.42Å; H194-Y228 WeakPolarHBondContact CA-O 3.49Å; H194-Y228 PolarHBondContact ND1-O 3.29Å; H194-S229 PolarHBondContact CE1-OG 2.98Å; H194-S229 WeakPolarHBondContact ND1-CA 3.41Å; H194-Y230 HydrophobicContact CB-CD1 3.89Å; H194-Y230 HydrophobicContact CB-CD2 3.68Å; H194-Y230 HydrophobicContact CB-CE1 3.81Å; H194-Y230 HydrophobicContact CB-CE2 3.61Å; H194-Y230 HydrophobicContact CB-CG 3.82Å; H194-Y230 PolarHBondContact CE1-N 3.31Å; H194-Y230 AromaticContact CG-CG 4Å; H194-Y230 PolarHBondContact N-OH 3.32Å; H194-Y230 AromaticContact ND1-CD1 3.95Å; H194-Y230 AromaticContact ND1-CG 3.83Å; H194-Y230 PolarHBondContact ND1-N 3.2Å; H194-L244 VanDerWaalsContact CD2-CD1 3.45Å; H194-L244 WeakPolarHBondContact CD2-CD1 3.38Å; H194-L244 WeakPolarHBondContact NE2-CD1 3.34Å; H194-F250 HydrophobicContact CB-CZ 3.81Å; H194-F250 AromaticContact CD2-CZ 3.94Å
195S98.5Very high97Very high9 Ų922.9 Ų22.96%0.06311%0.113CC..  trans-135.5138.6154.4175.60000109.8W197 P198 F227 Y228 C254S195-W197 PolarHBondContact O-N 2.8Å; S195-W197 PolarHBondContact OG-N 2.77Å; S195-W197 PolarHBondContact OG-O 3.47Å; S195-P198 WeakPolarHBondContact O-CD 3.41Å; S195-F227 VanDerWaalsContact CB-CB 3.47Å; S195-Y228 PolarHBondContact N-O 3.34Å; S195-C254 WeakPolarHBondContact OG-CB 3.45Å
196C98.2Very high96.7Very high0 Ų024.7 Ų24.70%013%0.126CC..SBendtrans-75.60.4169.3-46.10000112.7H194 L233 R240 C252 C254 R256 C257H194-C196 PolarHBondContact NE2-N 3.43Å; H194-C196 PolarHBondContact NE2-SG 3.42Å; C196-L233 WeakPolarHBondContact O-CD2 3.27Å; C196-R240 PolarHBondContact O-NH1 2.92Å; C196-C252 VanDerWaalsContact SG-SG 3.61Å; C196-C254 PolarHBondContact N-SG 3.22Å; C196-R256 WeakPolarHBondContact O-CD 3.14Å; C196-R256 PolarHBondContact O-NH1 3.35Å; C196-C257 PolarHBondContact SG-SG 3.23Å
197W97.8Very high96.7Very high77 Ų7725.5 Ų25.529%0.29213%0.129SC..SBendtrans-131.376.1164.1-165.2-101.6000108.5S195 Y215 R256 R382 F384 P385S195-W197 PolarHBondContact O-N 2.8Å; S195-W197 PolarHBondContact OG-N 2.77Å; S195-W197 PolarHBondContact OG-O 3.47Å; W197-Y215 PolarHBondContact NE1-OH 3.36Å; W197-R256 HydrophobicContact CB-CB 3.74Å; W197-R256 HydrophobicContact CE3-CB 4.44Å; W197-R256 HydrophobicContact CG-CB 4.44Å; W197-R382 WeakPolarHBondContact CZ3-O 3.42Å; W197-F384 WeakPolarHBondContact CH2-O 3.22Å; W197-P385 HydrophobicContact CD2-CG 4.41Å
198P98.4Very high96.6Very high1 Ų126.6 Ų26.61%0.00614%0.136CC..  trans-69.8150.4-171.929.8-35000111S195 L214 F227 L233 P385S195-P198 WeakPolarHBondContact O-CD 3.41Å; P198-L214 HydrophobicContact CG-CD1 4.34Å; P198-F227 WeakPolarHBondContact CA-O 3.16Å; P198-F227 VanDerWaalsContact CB-O 3.29Å; P198-F227 WeakPolarHBondContact CB-O 3.29Å; P198-L233 HydrophobicContact CG-CD1 3.87Å; P198-P385 HydrophobicContact CG-CG 4.01Å; P198-P385 WeakPolarHBondContact O-CG 3.02Å
199N98.1Very high96.7Very high33 Ų3325.7 Ų25.718%0.17613%0.131CC..SBendtrans-107.2-1171.467.6-4.9000112L214 Y215 V218 S225 F227N199-L214 WeakPolarHBondContact O-CB 3.5Å; N199-L214 PolarHBondContact O-N 3.29Å; N199-Y215 HydrophobicContact CB-CD2 3.99Å; N199-Y215 HydrophobicContact CB-CE2 4.41Å; N199-V218 HydrophobicContact CB-CG2 3.76Å; N199-S225 PolarHBondContact ND2-O 3.3Å; N199-F227 PolarHBondContact N-O 2.92Å; N199-F227 VanDerWaalsContact N-O 3.13Å; N199-F227 PolarHBondContact OD1-N 3.26Å; N199-F227 PolarHBondContact OD1-O 2.92Å
200A98.1Very high96.6Very high2 Ų226.8 Ų26.82%0.01714%0.138CC..EExtended strand (participates in β ladder)trans-137.2162.1171.800000111.1L211 R212 L220 T226 F227A200-L211 HydrophobicContact CB-CD1 3.85Å; A200-L211 HydrophobicContact CB-CG 4.24Å; A200-R212 CarbonylContact C-O 3.54Å; A200-R212 WeakPolarHBondContact CA-O 3.38Å; A200-R212 WeakPolarHBondContact CB-O 3.5Å; A200-L220 HydrophobicContact CB-CD2 3.96Å; A200-T226 HydrophobicContact CB-CG2 3.71Å; A200-F227 PolarHBondContact N-O 3.31Å
201I97.1Very high96.7Very high11 Ų1126.2 Ų26.26%0.05613%0.134CC..EExtended strand (participates in β ladder)trans-140.7147.7174.8-168.1169.6000109.1Y177 L211 R212 L214 P389Y177-I201 HydrophobicContact CE1-CD1 4.31Å; Y177-I201 HydrophobicContact CE2-CD1 4.47Å; I201-L211 CarbonylContact O-C 3.46Å; I201-L211 WeakPolarHBondContact O-CA 3.42Å; I201-R212 PolarHBondContact N-O 3.14Å; I201-R212 PolarHBondContact O-N 2.81Å; I201-L214 HydrophobicContact CB-CD1 4.43Å; I201-L214 HydrophobicContact CB-CD2 4.2Å; I201-L214 HydrophobicContact CB-CG 4.43Å; I201-L214 HydrophobicContact CG2-CD2 3.72Å; I201-L214 HydrophobicContact CG2-CG 4.33Å; I201-P389 HydrophobicContact CD1-CG 3.84Å
202Y96.7Very high96.8Very high35 Ų3527.6 Ų27.614%0.13714%0.136CC..EExtended strand (participates in β ladder)trans-108.8142.5167.778.7-91.5000110.4H170 A171 L189 A209 T210 Y228H170-Y202 HydrophobicContact CB-CE2 4.49Å; A171-Y202 PolarHBondContact N-OH 2.97Å; A171-Y202 WeakPolarHBondContact O-CE2 3.41Å; A171-Y202 PolarHBondContact O-OH 2.91Å; L189-Y202 HydrophobicContact CD2-CD1 4.15Å; L189-Y202 HydrophobicContact CD2-CD2 4.1Å; L189-Y202 HydrophobicContact CD2-CG 3.9Å; Y202-A209 HydrophobicContact CD2-CB 4.17Å; Y202-T210 VanDerWaalsContact CA-O 3.26Å; Y202-T210 WeakPolarHBondContact CA-O 3.34Å; Y202-Y228 AromaticContact CD1-CD2 3.98Å; Y202-Y228 HydrophobicContact CD1-CD2 3.98Å; Y202-Y228 HydrophobicContact CD1-CE2 4.25Å; Y202-Y228 HydrophobicContact CD1-CG 4.23Å; Y202-Y228 AromaticContact CE1-CD2 3.99Å; Y202-Y228 HydrophobicContact CE1-CD2 3.99Å; Y202-Y228 AromaticContact CE1-CE2 3.99Å; Y202-Y228 HydrophobicContact CE1-CE2 3.99Å
203T95.2Very high96.8Very high11 Ų1127.7 Ų27.77%0.06714%0.138CC..EExtended strand (participates in β ladder)trans-125159.816862.90000109.9Y177 A209 T210 L425Y177-T203 HydrophobicContact CD2-CG2 3.73Å; Y177-T203 HydrophobicContact CE2-CG2 4.21Å; Y177-T203 HydrophobicContact CG-CG2 4.08Å; T203-A209 CarbonylContact O-C 3.31Å; T203-A209 WeakPolarHBondContact O-CA 3.28Å; T203-T210 PolarHBondContact N-O 2.97Å; T203-T210 PolarHBondContact O-N 3.21Å; T203-L425 HydrophobicContact CG2-CD2 3.57Å
204C95.3Very high96.8Very high3 Ų323.2 Ų23.22%0.0211%0.113CC..EExtended strand (participates in β ladder)trans-110.1131.3-178.8-65.80000111.3I172 S173 V208I172-C204 HydrophobicContact CG2-CB 3.94Å; S173-C204 PolarHBondContact OG-N 3.46Å; C204-V208 WeakPolarHBondContact CA-O 3.16Å
205Q91.9Very high96.7Very high131 Ų13125.6 Ų25.661%0.61212%0.122SC*.EExtended strand (participates in β ladder)trans-105.8114.2156.3178.6174.73.900106.9L175 F207 V208L175-Q205 HydrophobicContact CD1-CB 4.17Å; L175-Q205 HydrophobicContact CD1-CG 3.91Å; Q205-F207 PolarHBondContact O-N 3.2Å; Q205-V208 PolarHBondContact N-O 2.91Å; Q205-V208 WeakPolarHBondContact O-CB 3.29Å; Q205-V208 PolarHBondContact O-N 3.32Å
206S93.6Very high96.5Very high38 Ų3828.4 Ų28.427%0.26614%0.142SC..THydrogen-bonded Turntrans55.8-128-170.1-71.40000110C30 I172C30-S206 WeakPolarHBondContact O-CB 3.45Å; C30-S206 PolarHBondContact O-OG 3.36Å; I172-S206 VanDerWaalsContact CG2-O 3.22Å; I172-S206 WeakPolarHBondContact CG2-O 3.46Å
207F95.7Very high96.4Very high17 Ų1733.9 Ų33.98%0.07517%0.172CC..THydrogen-bonded Turntrans-93.18.3175.159-104.7000113.1Y12 P13 Y16 Y29 L31 L108 Y186 Q205Y12-F207 HydrophobicContact CD1-CE2 4.02Å; Y12-F207 HydrophobicContact CE1-CE2 4.26Å; P13-F207 VanDerWaalsContact CD-O 3.23Å; P13-F207 WeakPolarHBondContact CD-O 3.32Å; P13-F207 HydrophobicContact CG-CB 4.14Å; P13-F207 HydrophobicContact CG-CD2 3.96Å; P13-F207 HydrophobicContact CG-CG 4.4Å; Y16-F207 HydrophobicContact CD1-CB 4.16Å; Y16-F207 HydrophobicContact CD1-CG 4.42Å; Y16-F207 HydrophobicContact CD2-CB 4.01Å; Y16-F207 HydrophobicContact CE1-CB 4.15Å; Y16-F207 HydrophobicContact CE1-CD1 4.11Å; Y16-F207 HydrophobicContact CE1-CD2 4.38Å; Y16-F207 AromaticContact CE1-CG 3.96Å; Y16-F207 HydrophobicContact CE1-CG 3.96Å; Y16-F207 HydrophobicContact CE2-CB 3.98Å; Y16-F207 AromaticContact CE2-CD1 3.98Å; Y16-F207 HydrophobicContact CE2-CD1 3.98Å; Y16-F207 HydrophobicContact CE2-CG 4.23Å; Y16-F207 HydrophobicContact CG-CB 4.09Å; Y16-F207 AromaticContact CZ-CD1 3.57Å; Y16-F207 AromaticContact CZ-CG 3.84Å; Y16-F207 WeakPolarHBondContact OH-CD1 3.44Å; Y29-F207 HydrophobicContact CE1-CE1 4.32Å; Y29-F207 HydrophobicContact CE2-CE1 4.2Å; Y29-F207 HydrophobicContact CE2-CZ 4.38Å; Y29-F207 VanDerWaalsContact O-CD1 3.26Å; Y29-F207 WeakPolarHBondContact O-CD1 3.44Å; L31-F207 HydrophobicContact CD1-CB 3.81Å; L31-F207 HydrophobicContact CG-CB 4.33Å; L108-F207 HydrophobicContact CD2-CE2 3.93Å; L108-F207 HydrophobicContact CD2-CZ 4.16Å; Y186-F207 WeakPolarHBondContact CE1-O 3.49Å; Y186-F207 PolarHBondContact OH-O 3.42Å; Q205-F207 PolarHBondContact O-N 3.2Å
208V96.4Very high96.3Very high26 Ų2630.8 Ų30.816%0.15816%0.161CC..EExtended strand (participates in β ladder)trans-97.7116.9-177.2-1790000108.8V10 Y12 C204 Q205V10-V208 HydrophobicContact CG1-CG1 3.21Å; Y12-V208 HydrophobicContact CD1-CG2 3.98Å; Y12-V208 HydrophobicContact CE1-CG1 4.45Å; Y12-V208 HydrophobicContact CE1-CG2 3.53Å; Y12-V208 HydrophobicContact CE2-CG1 4.38Å; C204-V208 WeakPolarHBondContact CA-O 3.16Å; Q205-V208 PolarHBondContact N-O 2.91Å; Q205-V208 WeakPolarHBondContact O-CB 3.29Å; Q205-V208 PolarHBondContact O-N 3.32Å
209A97.1Very high96.2Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-89.6133.6178.400000110.3V10 F11 Y186 L189 Y202 T203V10-A209 CarbonylContact C-O 3.57Å; V10-A209 WeakPolarHBondContact CA-O 3.26Å; F11-A209 HydrophobicContact CB-CB 4.35Å; F11-A209 PolarHBondContact N-O 2.87Å; F11-A209 PolarHBondContact O-N 3.47Å; Y186-A209 HydrophobicContact CD1-CB 4.1Å; Y186-A209 HydrophobicContact CE1-CB 3.69Å; L189-A209 HydrophobicContact CD2-CB 3.79Å; Y202-A209 HydrophobicContact CD2-CB 4.17Å; T203-A209 CarbonylContact O-C 3.31Å; T203-A209 WeakPolarHBondContact O-CA 3.28Å
210T96.3Very high96.2Very high23 Ų2331.7 Ų31.714%0.14117%0.166CC..EExtended strand (participates in β ladder)trans-120.5113.3178.3-580000109.3I9 V10 Y202 T203 R212I9-T210 CarbonylContact O-C 3.47Å; I9-T210 WeakPolarHBondContact O-CA 3.48Å; V10-T210 HydrophobicContact CG2-CG2 4.36Å; Y202-T210 VanDerWaalsContact CA-O 3.26Å; Y202-T210 WeakPolarHBondContact CA-O 3.34Å; T203-T210 PolarHBondContact N-O 2.97Å; T203-T210 PolarHBondContact O-N 3.21Å; T210-R212 HydrophobicContact CG2-CG 4.22Å
211L97.5Very high96Very high0 Ų035.4 Ų35.40%019%0.188CC..EExtended strand (participates in β ladder)trans-82.3132.8174.2-172.572.8000109.8S8 I9 F11 L189 Y192 A200 I201 L220 T226 Y228S8-L211 CarbonylContact C-O 3.55Å; S8-L211 WeakPolarHBondContact CA-O 3.27Å; S8-L211 WeakPolarHBondContact CB-O 3.39Å; I9-L211 PolarHBondContact N-O 3.21Å; I9-L211 PolarHBondContact O-N 2.92Å; F11-L211 HydrophobicContact CD2-CB 4.38Å; F11-L211 HydrophobicContact CE2-CB 3.61Å; F11-L211 HydrophobicContact CE2-CD2 4.3Å; F11-L211 HydrophobicContact CZ-CD2 4.46Å; L189-L211 HydrophobicContact CD1-CD1 4.33Å; Y192-L211 HydrophobicContact CD1-CD2 4.11Å; Y192-L211 HydrophobicContact CD2-CD2 4.3Å; Y192-L211 HydrophobicContact CE1-CD2 3.74Å; Y192-L211 HydrophobicContact CE2-CD2 3.97Å; Y192-L211 HydrophobicContact CG-CD2 4.37Å; A200-L211 HydrophobicContact CB-CD1 3.85Å; A200-L211 HydrophobicContact CB-CG 4.24Å; I201-L211 CarbonylContact O-C 3.46Å; I201-L211 WeakPolarHBondContact O-CA 3.42Å; L211-L220 HydrophobicContact CD2-CD2 3.97Å; L211-L220 HydrophobicContact CG-CD2 4.02Å; L211-T226 HydrophobicContact CD2-CG2 4.14Å; L211-Y228 HydrophobicContact CD1-CD1 4.34Å
212R97.1Very high96Very high49 Ų4937.6 Ų37.619%0.18520%0.2CC..EExtended strand (participates in β ladder)trans-134.6149.7-179.5-71.5-178.4171.6-78.81.7110.6A200 I201 T210 S424 L425A200-R212 CarbonylContact C-O 3.54Å; A200-R212 WeakPolarHBondContact CA-O 3.38Å; A200-R212 WeakPolarHBondContact CB-O 3.5Å; I201-R212 PolarHBondContact N-O 3.14Å; I201-R212 PolarHBondContact O-N 2.81Å; T210-R212 HydrophobicContact CG2-CG 4.22Å; R212-S424 WeakPolarHBondContact CB-O 3.25Å; R212-S424 WeakPolarHBondContact CD-O 3.38Å; R212-L425 PolarHBondContact NE-O 2.81Å
213P97.4Very high95.9Very high7 Ų741.2 Ų41.25%0.04521%0.214CC..EExtended strand (participates in β ladder)trans-75.3156.117734.8-35.5000111A7 Y215 V218 L220 F423A7-P213 WeakPolarHBondContact O-CD 3.45Å; P213-Y215 WeakPolarHBondContact CB-O 3.47Å; P213-V218 HydrophobicContact CB-CB 3.8Å; P213-V218 HydrophobicContact CB-CG1 4.12Å; P213-V218 HydrophobicContact CB-CG2 4.36Å; P213-L220 HydrophobicContact CB-CD2 4.41Å; P213-F423 HydrophobicContact CG-CE1 4.36Å; P213-F423 VanDerWaalsContact O-CE1 3.31Å; P213-F423 WeakPolarHBondContact O-CE1 3.35Å
214L97.6Very high96Very high0 Ų046.2 Ų46.20%024%0.244CC..SBendtrans-104.4-9169.3-62.6177.3000112P198 N199 I201 P385 N387 F423P198-L214 HydrophobicContact CG-CD1 4.34Å; N199-L214 WeakPolarHBondContact O-CB 3.5Å; N199-L214 PolarHBondContact O-N 3.29Å; I201-L214 HydrophobicContact CB-CD1 4.43Å; I201-L214 HydrophobicContact CB-CD2 4.2Å; I201-L214 HydrophobicContact CB-CG 4.43Å; I201-L214 HydrophobicContact CG2-CD2 3.72Å; I201-L214 HydrophobicContact CG2-CG 4.33Å; L214-P385 HydrophobicContact CB-CB 4.47Å; L214-P385 HydrophobicContact CD1-CB 3.94Å; L214-P385 HydrophobicContact CD1-CG 3.93Å; L214-N387 HydrophobicContact CD2-CB 4.46Å; L214-N387 WeakPolarHBondContact O-CB 3.44Å; L214-N387 PolarHBondContact O-ND2 3.22Å; L214-F423 VanDerWaalsContact C-CE1 3.41Å
215Y96.7Very high96.1Very high64 Ų6448.1 Ų48.125%0.25126%0.258SS..SBendtrans-138.9150.4175.3-57.1-86.5000110.7W197 N199 P213 D217 V218 P385 K386W197-Y215 PolarHBondContact NE1-OH 3.36Å; N199-Y215 HydrophobicContact CB-CD2 3.99Å; N199-Y215 HydrophobicContact CB-CE2 4.41Å; P213-Y215 WeakPolarHBondContact CB-O 3.47Å; Y215-D217 WeakPolarHBondContact CB-OD1 3.44Å; Y215-D217 PolarHBondContact O-N 2.82Å; Y215-V218 WeakPolarHBondContact O-CG2 3.44Å; Y215-V218 PolarHBondContact O-N 3.05Å; Y215-P385 HydrophobicContact CE2-CB 4.1Å; Y215-K386 HydrophobicContact CE1-CB 4.37Å
216S94.7Very high96.3Very high69 Ų6941.9 Ų41.948%0.48323%0.229SC..THydrogen-bonded Turntrans-71.1-18.2-171.351.10000114.4
217D94.8Very high96.6Very high115 Ų11542.8 Ų42.862%0.61523%0.228SC*.THydrogen-bonded Turntrans-90.2-3.6-178.462.9-37.7000113.3K5 Y215 D219K5-D217 PolarHBondContact NZ-O 2.9Å; Y215-D217 WeakPolarHBondContact CB-OD1 3.44Å; Y215-D217 PolarHBondContact O-N 2.82Å; D217-D219 PolarHBondContact O-N 3.4Å
218V96.4Very high96.7Very high11 Ų1142.5 Ų42.57%0.06723%0.226CC..  trans-72.3129.3-179.6177.30000111.1K5 N199 P213 Y215 L220K5-V218 VanDerWaalsContact CD-O 3.28Å; K5-V218 WeakPolarHBondContact CD-O 3.45Å; N199-V218 HydrophobicContact CB-CG2 3.76Å; P213-V218 HydrophobicContact CB-CB 3.8Å; P213-V218 HydrophobicContact CB-CG1 4.12Å; P213-V218 HydrophobicContact CB-CG2 4.36Å; Y215-V218 WeakPolarHBondContact O-CG2 3.44Å; Y215-V218 PolarHBondContact O-N 3.05Å; V218-L220 HydrophobicContact CG1-CD2 3.92Å
219D96.8Very high96.7Very high54 Ų5442.4 Ų42.429%0.28923%0.227SC..  trans-100.2100166.7-177-4.2000109.8K5 D217 T221 D222 T226K5-D219 HydrophobicContact CD-CB 4.36Å; D217-D219 PolarHBondContact O-N 3.4Å; D219-T221 PolarHBondContact O-N 3.38Å; D219-T221 WeakPolarHBondContact OD1-CB 3.45Å; D219-T221 PolarHBondContact OD1-N 3.22Å; D219-T221 PolarHBondContact OD1-OG1 3.1Å; D219-T221 PolarHBondContact OD2-OG1 3.42Å; D219-D222 HydrophobicContact CB-CB 4.42Å; D219-D222 PolarHBondContact O-N 3.34Å; D219-T226 PolarHBondContact O-OG1 3.12Å
220L96.9Very high96.7Very high0 Ų045.1 Ų45.10%024%0.238CC..THydrogen-bonded Turntrans-59.9-18179.8-64.9-178.7000113.8I9 Y192 A200 L211 P213 V218 T226I9-L220 HydrophobicContact CD1-CB 3.62Å; I9-L220 VanDerWaalsContact CD1-O 3.29Å; I9-L220 WeakPolarHBondContact CD1-O 3.45Å; I9-L220 HydrophobicContact CG1-CB 4.04Å; I9-L220 HydrophobicContact CG1-CD1 4.27Å; Y192-L220 WeakPolarHBondContact CE1-O 3.14Å; Y192-L220 PolarHBondContact OH-O 2.94Å; A200-L220 HydrophobicContact CB-CD2 3.96Å; L211-L220 HydrophobicContact CD2-CD2 3.97Å; L211-L220 HydrophobicContact CG-CD2 4.02Å; P213-L220 HydrophobicContact CB-CD2 4.41Å; V218-L220 HydrophobicContact CG1-CD2 3.92Å; L220-T226 HydrophobicContact CD2-CG2 3.9Å
221T95.6Very high96.7Very high80 Ų8045 Ų4549%0.49124%0.236SC..THydrogen-bonded Turntrans-81.7-21.2178.870.40000112.5V6 I9 D219 R223V6-T221 HydrophobicContact CB-CG2 4.42Å; V6-T221 HydrophobicContact CG2-CG2 3.85Å; I9-T221 HydrophobicContact CD1-CG2 4.32Å; D219-T221 PolarHBondContact O-N 3.38Å; D219-T221 WeakPolarHBondContact OD1-CB 3.45Å; D219-T221 PolarHBondContact OD1-N 3.22Å; D219-T221 PolarHBondContact OD1-OG1 3.1Å; D219-T221 PolarHBondContact OD2-OG1 3.42Å; T221-R223 PolarHBondContact O-N 2.56Å
222D96.2Very high96.6Very high57 Ų5750 Ų5031%0.30526%0.263SS..  trans-87.5101.1172.5179.410.4000110.5D219 T224 S225 T226D219-D222 HydrophobicContact CB-CB 4.42Å; D219-D222 PolarHBondContact O-N 3.34Å; D222-T224 PolarHBondContact O-N 3.21Å; D222-T224 WeakPolarHBondContact OD1-CB 3.28Å; D222-T224 PolarHBondContact OD1-N 3.37Å; D222-T224 PolarHBondContact OD1-OG1 3.48Å; D222-T224 PolarHBondContact OD2-OG1 3.21Å; D222-S225 PolarHBondContact O-N 3.02Å; D222-S225 WeakPolarHBondContact OD2-CB 3.15Å; D222-S225 PolarHBondContact OD2-OG 2.93Å; D222-T226 VanDerWaalsContact O-CB 3.27Å; D222-T226 WeakPolarHBondContact O-CB 3.4Å; D222-T226 PolarHBondContact O-N 3.21Å; D222-T226 VanDerWaalsContact O-N 3.11Å; D222-T226 PolarHBondContact O-OG1 2.64Å
223R94.9Very high96.6Very high111 Ų11147.9 Ų47.942%0.41926%0.255SS..THydrogen-bonded Turntrans-70.2-18.9179.4-62.4172.4-175.5172.90.8113.3S191 Y192 T221 S225S191-R223 WeakPolarHBondContact OG-CD 3.27Å; S191-R223 PolarHBondContact OG-NE 3.06Å; Y192-R223 HydrophobicContact CD1-CB 4.45Å; Y192-R223 HydrophobicContact CD1-CG 4.19Å; Y192-R223 HydrophobicContact CE1-CB 4.45Å; Y192-R223 HydrophobicContact CE1-CG 3.81Å; T221-R223 PolarHBondContact O-N 2.56Å; R223-S225 VanDerWaalsContact C-N 3.32Å
224T96.4Very high96.6Very high115 Ų11547.8 Ų47.871%0.70625%0.254SS*.THydrogen-bonded Turntrans-80.2-18.9-179.771.30000112.4D222 F227D222-T224 PolarHBondContact O-N 3.21Å; D222-T224 WeakPolarHBondContact OD1-CB 3.28Å; D222-T224 PolarHBondContact OD1-N 3.37Å; D222-T224 PolarHBondContact OD1-OG1 3.48Å; D222-T224 PolarHBondContact OD2-OG1 3.21Å; T224-F227 VanDerWaalsContact O-CZ 3.27Å; T224-F227 WeakPolarHBondContact O-CZ 3.41Å
225S96.8Very high96.5Very high44 Ų4447.9 Ų47.931%0.30825%0.254SS..THydrogen-bonded Turntrans-118.2-1.9178.764.40000113.8N199 D222 R223 F227N199-S225 PolarHBondContact ND2-O 3.3Å; D222-S225 PolarHBondContact O-N 3.02Å; D222-S225 WeakPolarHBondContact OD2-CB 3.15Å; D222-S225 PolarHBondContact OD2-OG 2.93Å; R223-S225 VanDerWaalsContact C-N 3.32Å; S225-F227 VanDerWaalsContact C-CE2 3.44Å; S225-F227 WeakPolarHBondContact O-CD2 3.27Å; S225-F227 VanDerWaalsContact O-CE2 3.31Å; S225-F227 WeakPolarHBondContact O-CE2 3.33Å
226T98.2Very high96.5Very high0 Ų044.9 Ų44.90%024%0.243CC..  trans-105.1124.2178.7-630000111.7Y192 A200 L211 D219 L220 D222Y192-T226 HydrophobicContact CD1-CG2 3.54Å; Y192-T226 HydrophobicContact CE1-CG2 3.73Å; A200-T226 HydrophobicContact CB-CG2 3.71Å; L211-T226 HydrophobicContact CD2-CG2 4.14Å; D219-T226 PolarHBondContact O-OG1 3.12Å; L220-T226 HydrophobicContact CD2-CG2 3.9Å; D222-T226 VanDerWaalsContact O-CB 3.27Å; D222-T226 WeakPolarHBondContact O-CB 3.4Å; D222-T226 PolarHBondContact O-N 3.21Å; D222-T226 VanDerWaalsContact O-N 3.11Å; D222-T226 PolarHBondContact O-OG1 2.64Å
227F98.3Very high96.6Very high57 Ų5742.7 Ų42.725%0.2522%0.224CC..EExtended strand (participates in β ladder)trans-134.4136.2-174.1-50.1-83.3000112D193 S195 P198 N199 A200 T224 S225D193-F227 HydrophobicContact CB-CD1 3.83Å; D193-F227 HydrophobicContact CB-CE1 4Å; D193-F227 VanDerWaalsContact O-CA 3.27Å; D193-F227 WeakPolarHBondContact O-CA 3.31Å; S195-F227 VanDerWaalsContact CB-CB 3.47Å; P198-F227 WeakPolarHBondContact CA-O 3.16Å; P198-F227 VanDerWaalsContact CB-O 3.29Å; P198-F227 WeakPolarHBondContact CB-O 3.29Å; N199-F227 PolarHBondContact N-O 2.92Å; N199-F227 VanDerWaalsContact N-O 3.13Å; N199-F227 PolarHBondContact OD1-N 3.26Å; N199-F227 PolarHBondContact OD1-O 2.92Å; A200-F227 PolarHBondContact N-O 3.31Å; T224-F227 VanDerWaalsContact O-CZ 3.27Å; T224-F227 WeakPolarHBondContact O-CZ 3.41Å; S225-F227 VanDerWaalsContact C-CE2 3.44Å; S225-F227 WeakPolarHBondContact O-CD2 3.27Å; S225-F227 VanDerWaalsContact O-CE2 3.31Å; S225-F227 WeakPolarHBondContact O-CE2 3.33Å
228Y97.9Very high96.5Very high10 Ų1040.3 Ų40.34%0.03921%0.211CC..EExtended strand (participates in β ladder)trans-117.3167.4167.870.2-101.6000111H170 L189 D193 H194 S195 Y202 L211 Y230H170-Y228 PolarHBondContact CD2-OH 3.1Å; H170-Y228 AromaticContact NE2-CZ 3.65Å; H170-Y228 PolarHBondContact NE2-OH 3.33Å; L189-Y228 HydrophobicContact CD1-CD1 4.42Å; L189-Y228 HydrophobicContact CD1-CE1 4.02Å; L189-Y228 HydrophobicContact CG-CE1 4.24Å; L189-Y228 WeakPolarHBondContact O-CE1 3.28Å; D193-Y228 PolarHBondContact O-N 3.24Å; H194-Y228 WeakPolarHBondContact CA-O 3.49Å; H194-Y228 PolarHBondContact ND1-O 3.29Å; S195-Y228 PolarHBondContact N-O 3.34Å; Y202-Y228 AromaticContact CD1-CD2 3.98Å; Y202-Y228 HydrophobicContact CD1-CD2 3.98Å; Y202-Y228 HydrophobicContact CD1-CE2 4.25Å; Y202-Y228 HydrophobicContact CD1-CG 4.23Å; Y202-Y228 AromaticContact CE1-CD2 3.99Å; Y202-Y228 HydrophobicContact CE1-CD2 3.99Å; Y202-Y228 AromaticContact CE1-CE2 3.99Å; Y202-Y228 HydrophobicContact CE1-CE2 3.99Å; L211-Y228 HydrophobicContact CD1-CD1 4.34Å; Y228-Y230 AromaticContact CD2-CD1 3.85Å; Y228-Y230 HydrophobicContact CD2-CD1 3.85Å; Y228-Y230 HydrophobicContact CD2-CE1 4.04Å; Y228-Y230 HydrophobicContact CE1-CE1 4.35Å; Y228-Y230 AromaticContact CE2-CD1 3.31Å; Y228-Y230 HydrophobicContact CE2-CD1 3.31Å; Y228-Y230 AromaticContact CE2-CE1 3.38Å; Y228-Y230 HydrophobicContact CE2-CE1 3.38Å; Y228-Y230 AromaticContact CZ-CD1 3.96Å; Y228-Y230 AromaticContact CZ-CE1 3.53Å
229S97.8Very high96.4Very high25 Ų2541.2 Ų41.218%0.17521%0.214CC..  trans-89.3135179-168.30000112.2H194 I231 L233H194-S229 PolarHBondContact CE1-OG 2.98Å; H194-S229 WeakPolarHBondContact ND1-CA 3.41Å; S229-I231 PolarHBondContact OG-N 3.28Å; S229-I231 PolarHBondContact OG-O 3.13Å; S229-L233 WeakPolarHBondContact OG-CD2 3.32Å
230Y97Very high96.5Very high57 Ų5738.6 Ų38.622%0.22420%0.2CC..SBendtrans-89.3-16.6175.1-62.80.2000111.9Y192 D193 H194 Y228 W248 F250Y192-Y230 PolarHBondContact O-OH 3.49Å; D193-Y230 WeakPolarHBondContact CA-OH 3.31Å; H194-Y230 HydrophobicContact CB-CD1 3.89Å; H194-Y230 HydrophobicContact CB-CD2 3.68Å; H194-Y230 HydrophobicContact CB-CE1 3.81Å; H194-Y230 HydrophobicContact CB-CE2 3.61Å; H194-Y230 HydrophobicContact CB-CG 3.82Å; H194-Y230 PolarHBondContact CE1-N 3.31Å; H194-Y230 AromaticContact CG-CG 4Å; H194-Y230 PolarHBondContact N-OH 3.32Å; H194-Y230 AromaticContact ND1-CD1 3.95Å; H194-Y230 AromaticContact ND1-CG 3.83Å; H194-Y230 PolarHBondContact ND1-N 3.2Å; Y228-Y230 AromaticContact CD2-CD1 3.85Å; Y228-Y230 HydrophobicContact CD2-CD1 3.85Å; Y228-Y230 HydrophobicContact CD2-CE1 4.04Å; Y228-Y230 HydrophobicContact CE1-CE1 4.35Å; Y228-Y230 AromaticContact CE2-CD1 3.31Å; Y228-Y230 HydrophobicContact CE2-CD1 3.31Å; Y228-Y230 AromaticContact CE2-CE1 3.38Å; Y228-Y230 HydrophobicContact CE2-CE1 3.38Å; Y228-Y230 AromaticContact CZ-CD1 3.96Å; Y228-Y230 AromaticContact CZ-CE1 3.53Å; Y230-W248 AromaticContact CD2-CD1 3.83Å; Y230-W248 HydrophobicContact CD2-CD2 4.04Å; Y230-W248 AromaticContact CD2-CE2 3.76Å; Y230-W248 HydrophobicContact CD2-CG 4.12Å; Y230-W248 HydrophobicContact CD2-CZ2 4.31Å; Y230-W248 AromaticContact CD2-NE1 3.62Å; Y230-W248 HydrophobicContact CG-CZ2 4.37Å; Y230-W248 WeakPolarHBondContact O-CH2 3.48Å; Y230-F250 HydrophobicContact CD2-CE1 4.42Å; Y230-F250 HydrophobicContact CE2-CE1 4.37Å
231I96.5Very high96.5Very high21 Ų2140.2 Ų40.211%0.10821%0.207CC..SBendtrans-126.4167-173.157.2169.9000109.9S229 R240 M243 L244 W248S229-I231 PolarHBondContact OG-N 3.28Å; S229-I231 PolarHBondContact OG-O 3.13Å; I231-R240 HydrophobicContact CD1-CB 3.65Å; I231-R240 HydrophobicContact CD1-CG 3.63Å; I231-M243 HydrophobicContact CB-CE 4.35Å; I231-M243 HydrophobicContact CD1-CE 3.94Å; I231-M243 HydrophobicContact CG2-CB 4.09Å; I231-L244 HydrophobicContact CD1-CD1 4.19Å; I231-L244 HydrophobicContact CD1-CD2 4.35Å; I231-L244 HydrophobicContact CD1-CG 4.1Å; I231-L244 HydrophobicContact CG1-CD2 4.5Å; I231-L244 HydrophobicContact CG2-CD2 3.88Å; I231-L244 HydrophobicContact CG2-CG 4.4Å; I231-W248 HydrophobicContact CG2-CE3 4.46Å; I231-W248 HydrophobicContact CG2-CH2 4.03Å; I231-W248 HydrophobicContact CG2-CZ3 3.58Å
232D93.8Very high96.5Very high104 Ų10441.1 Ų41.156%0.55621%0.205SC*.  trans-62.6136.4165-163.6-30.7000110.2L234D232-L234 PolarHBondContact OD1-N 3.5Å
233L97.3Very high96.5Very high4 Ų441.2 Ų41.22%0.02121%0.205CC..SBendtrans-83.4-20-179-67.2177.7000113.2C196 P198 S229 A235 R256 F384C196-L233 WeakPolarHBondContact O-CD2 3.27Å; P198-L233 HydrophobicContact CG-CD1 3.87Å; S229-L233 WeakPolarHBondContact OG-CD2 3.32Å; L233-A235 PolarHBondContact O-N 3.04Å; L233-R256 PolarHBondContact O-NH1 3.46Å; L233-R256 PolarHBondContact O-NH2 3.48Å; L233-R256 VanDerWaalsContact O-NH2 3.09Å; L233-F384 HydrophobicContact CB-CD1 4.05Å; L233-F384 HydrophobicContact CB-CE1 3.72Å; L233-F384 HydrophobicContact CB-CZ 4.23Å; L233-F384 HydrophobicContact CD1-CD1 3.81Å; L233-F384 HydrophobicContact CD1-CE1 4.09Å; L233-F384 HydrophobicContact CG-CE1 4.39Å
234L97.1Very high96.6Very high6 Ų636 Ų363%0.03119%0.185CC..SBendtrans-80.663.6178.2-168.867.4000110.3D232 V348 R352 M380 C383 F384D232-L234 PolarHBondContact OD1-N 3.5Å; L234-V348 HydrophobicContact CD1-CG2 3.9Å; L234-V348 HydrophobicContact CG-CG2 3.86Å; L234-V348 WeakPolarHBondContact O-CG2 3.49Å; L234-R352 HydrophobicContact CD2-CG 4.11Å; L234-R352 HydrophobicContact CG-CG 4.46Å; L234-R352 VanDerWaalsContact O-CZ 3.28Å; L234-R352 PolarHBondContact O-NE 3.03Å; L234-R352 PolarHBondContact O-NH2 3.44Å; L234-M380 HydrophobicContact CD1-SD 3.9Å; L234-M380 HydrophobicContact CD2-SD 4.24Å; L234-C383 HydrophobicContact CD1-CB 4.12Å; L234-F384 HydrophobicContact CB-CE2 4.16Å; L234-F384 HydrophobicContact CB-CZ 4.1Å; L234-F384 HydrophobicContact CD1-CE2 4.31Å
235A97.1Very high96.6Very high1 Ų135.2 Ų35.21%0.00818%0.176CC..SBendtrans-148.7154.2-179.200000111.2L233 Q239 R240 M243 R256L233-A235 PolarHBondContact O-N 3.04Å; A235-Q239 HydrophobicContact CB-CB 4.03Å; A235-R240 HydrophobicContact CB-CG 3.7Å; A235-R240 PolarHBondContact O-NE 3.07Å; A235-M243 HydrophobicContact CB-CE 3.83Å; A235-R256 PolarHBondContact O-NH2 2.95Å
236S96.1Very high96.5Very high2 Ų238.6 Ų38.61%0.01419%0.187CC..  trans-68.4164.4177.271.20000112.1I238 Q239 R240S236-I238 PolarHBondContact O-N 2.62Å; S236-Q239 PolarHBondContact O-N 3.19Å; S236-Q239 WeakPolarHBondContact OG-CG 3.46Å; S236-Q239 PolarHBondContact OG-N 3.4Å; S236-Q239 PolarHBondContact OG-OE1 3.03Å; S236-R240 WeakPolarHBondContact O-CB 3.2Å; S236-R240 VanDerWaalsContact O-CG 3.27Å; S236-R240 WeakPolarHBondContact O-CG 3.35Å; S236-R240 PolarHBondContact O-N 2.99Å; S236-R240 PolarHBondContact O-NE 3.23Å
237R95.8Very high96.2Very high22 Ų2240.4 Ų40.48%0.08320%0.199CC..Hα-helixtrans-50.9-44.4173.3-167.3-178-72-173.5-12.5112.7R241 C257 D259 D262 G282R237-R241 WeakPolarHBondContact O-CB 3.3Å; R237-R241 PolarHBondContact O-N 3.44Å; R237-C257 PolarHBondContact NE-O 3.39Å; R237-D259 VanDerWaalsContact NH2-C 3.34Å; R237-D259 PolarHBondContact NH2-O 2.87Å; R237-D262 VanDerWaalsContact CB-OD2 3.31Å; R237-D262 WeakPolarHBondContact CB-OD2 3.43Å; R237-D262 IonicContact NE-OD2 2.84Å; R237-G282 PolarHBondContact NH1-O 2.68Å
238I93.4Very high96.1Very high65 Ų6539.9 Ų39.933%0.33320%0.196SC..Hα-helixtrans-69-48.9-176-66.4170.8000109.8S236 R240 R241 Q242 Y280S236-I238 PolarHBondContact O-N 2.62Å; I238-R240 VanDerWaalsContact C-N 3.34Å; I238-R240 PolarHBondContact O-N 2.67Å; I238-R241 PolarHBondContact O-N 3.31Å; I238-Q242 VanDerWaalsContact O-CB 3.27Å; I238-Q242 WeakPolarHBondContact O-CB 3.4Å; I238-Q242 PolarHBondContact O-N 3.23Å; I238-Y280 HydrophobicContact CD1-CD1 4.04Å; I238-Y280 HydrophobicContact CD1-CD2 4.29Å; I238-Y280 HydrophobicContact CD1-CE1 3.34Å; I238-Y280 HydrophobicContact CD1-CE2 3.64Å; I238-Y280 HydrophobicContact CD1-CG 4.48Å; I238-Y280 WeakPolarHBondContact CD1-OH 3.4Å
239Q95.6Very high96Very high30 Ų3041.9 Ų41.914%0.1420%0.204CC..Hα-helixtrans-57.4-46.2175.8-74.5172.7-40.600111.5A235 S236 Q242 M243 D314 Y349A235-Q239 HydrophobicContact CB-CB 4.03Å; S236-Q239 PolarHBondContact O-N 3.19Å; S236-Q239 WeakPolarHBondContact OG-CG 3.46Å; S236-Q239 PolarHBondContact OG-N 3.4Å; S236-Q239 PolarHBondContact OG-OE1 3.03Å; Q239-Q242 PolarHBondContact O-N 3.22Å; Q239-M243 HydrophobicContact CB-CE 4.42Å; Q239-M243 WeakPolarHBondContact O-CE 3.43Å; Q239-M243 WeakPolarHBondContact O-CG 3.38Å; Q239-M243 PolarHBondContact O-N 3.28Å; Q239-D314 PolarHBondContact NE2-OD2 3.16Å; Q239-Y349 VanDerWaalsContact CD-OH 3.24Å; Q239-Y349 PolarHBondContact NE2-OH 3.24Å
240R97.7Very high95.9Very high0 Ų043.9 Ų43.90%021%0.209CC..Hα-helixtrans-62.1-48.4179.4-68.1-177.8-64.1162.7-0.5112.5C196 I231 A235 S236 I238 Q242 M243 L244 R256 D262C196-R240 PolarHBondContact O-NH1 2.92Å; I231-R240 HydrophobicContact CD1-CB 3.65Å; I231-R240 HydrophobicContact CD1-CG 3.63Å; A235-R240 HydrophobicContact CB-CG 3.7Å; A235-R240 PolarHBondContact O-NE 3.07Å; S236-R240 WeakPolarHBondContact O-CB 3.2Å; S236-R240 VanDerWaalsContact O-CG 3.27Å; S236-R240 WeakPolarHBondContact O-CG 3.35Å; S236-R240 PolarHBondContact O-N 2.99Å; S236-R240 PolarHBondContact O-NE 3.23Å; I238-R240 VanDerWaalsContact C-N 3.34Å; I238-R240 PolarHBondContact O-N 2.67Å; R240-Q242 VanDerWaalsContact C-N 3.31Å; R240-Q242 PolarHBondContact O-N 2.58Å; R240-M243 HydrophobicContact CG-CE 4.21Å; R240-M243 PolarHBondContact O-N 3.08Å; R240-L244 WeakPolarHBondContact O-CD1 3.49Å; R240-L244 VanDerWaalsContact O-CG 3.23Å; R240-L244 WeakPolarHBondContact O-CG 3.22Å; R240-L244 PolarHBondContact O-N 2.97Å; R240-L244 VanDerWaalsContact O-N 3.07Å; R240-R256 VanDerWaalsContact CZ-NE 3.34Å; R240-R256 VanDerWaalsContact NH1-CG 3.33Å; R240-D262 IonicContact CZ-OD1 2.56Å; R240-D262 IonicContact CZ-OD2 3.21Å; R240-D262 IonicContact NH2-OD1 2.62Å; R240-D262 PolarHBondContact NH2-OD1 3.09Å; R240-D262 IonicContact NH2-OD2 2.64Å; R240-D262 PolarHBondContact NH2-OD2 3.38Å
241R96.3Very high95.9Very high34 Ų3446.7 Ų46.713%0.12822%0.224CC..Hα-helixtrans-63.5-37.9177.3-78-177.8167.4153.11.9112.1R237 I238 L245 Q251 C252 C257 N283R237-R241 WeakPolarHBondContact O-CB 3.3Å; R237-R241 PolarHBondContact O-N 3.44Å; I238-R241 PolarHBondContact O-N 3.31Å; R241-L245 VanDerWaalsContact O-CB 3.26Å; R241-L245 WeakPolarHBondContact O-CB 3.38Å; R241-L245 PolarHBondContact O-N 3.46Å; R241-Q251 HydrophobicContact CG-CG 4.37Å; R241-C252 PolarHBondContact NE-O 3.07Å; R241-C252 VanDerWaalsContact NE-O 3.09Å; R241-C252 PolarHBondContact NH2-O 2.84Å; R241-C257 PolarHBondContact NH2-O 3.32Å; R241-N283 PolarHBondContact NH1-ND2 2.77Å; R241-N283 VanDerWaalsContact NH1-ND2 3.14Å; R241-N283 PolarHBondContact NH1-OD1 3.03Å
242Q95.6Very high95.9Very high98 Ų9846 Ų4646%0.45822%0.221SC..Hα-helixtrans-63.4-51.6176-177.3176.11.600111.4I238 Q239 R240 L244 L245 E246I238-Q242 VanDerWaalsContact O-CB 3.27Å; I238-Q242 WeakPolarHBondContact O-CB 3.4Å; I238-Q242 PolarHBondContact O-N 3.23Å; Q239-Q242 PolarHBondContact O-N 3.22Å; R240-Q242 VanDerWaalsContact C-N 3.31Å; R240-Q242 PolarHBondContact O-N 2.58Å; Q242-L244 VanDerWaalsContact C-N 3.28Å; Q242-L244 PolarHBondContact O-N 3.2Å; Q242-L245 PolarHBondContact O-N 3.21Å; Q242-E246 HydrophobicContact CG-CG 4.25Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.35Å; Q242-E246 PolarHBondContact NE2-OE1 2.76Å; Q242-E246 WeakPolarHBondContact O-CB 3.38Å; Q242-E246 WeakPolarHBondContact O-CG 3.26Å; Q242-E246 PolarHBondContact O-N 2.8Å
243M97.2Very high96Very high60 Ų6045.3 Ų45.330%0.29622%0.224SC..Hα-helixtrans-55.8-43.2177.4-72.2-176.2-72.500112.1I231 A235 Q239 R240 S247I231-M243 HydrophobicContact CB-CE 4.35Å; I231-M243 HydrophobicContact CD1-CE 3.94Å; I231-M243 HydrophobicContact CG2-CB 4.09Å; A235-M243 HydrophobicContact CB-CE 3.83Å; Q239-M243 HydrophobicContact CB-CE 4.42Å; Q239-M243 WeakPolarHBondContact O-CE 3.43Å; Q239-M243 WeakPolarHBondContact O-CG 3.38Å; Q239-M243 PolarHBondContact O-N 3.28Å; R240-M243 HydrophobicContact CG-CE 4.21Å; R240-M243 PolarHBondContact O-N 3.08Å; M243-S247 WeakPolarHBondContact O-CB 3.43Å; M243-S247 PolarHBondContact O-N 3.44Å
244L98Very high96Very high0 Ų046.2 Ų46.20%023%0.23CC..Hα-helixtrans-69.4-39.8179.6-66.2169.4000112.7H194 I231 R240 Q242 W248 Y249 F250 C252H194-L244 VanDerWaalsContact CD2-CD1 3.45Å; H194-L244 WeakPolarHBondContact CD2-CD1 3.38Å; H194-L244 WeakPolarHBondContact NE2-CD1 3.34Å; I231-L244 HydrophobicContact CD1-CD1 4.19Å; I231-L244 HydrophobicContact CD1-CD2 4.35Å; I231-L244 HydrophobicContact CD1-CG 4.1Å; I231-L244 HydrophobicContact CG1-CD2 4.5Å; I231-L244 HydrophobicContact CG2-CD2 3.88Å; I231-L244 HydrophobicContact CG2-CG 4.4Å; R240-L244 WeakPolarHBondContact O-CD1 3.49Å; R240-L244 VanDerWaalsContact O-CG 3.23Å; R240-L244 WeakPolarHBondContact O-CG 3.22Å; R240-L244 PolarHBondContact O-N 2.97Å; R240-L244 VanDerWaalsContact O-N 3.07Å; Q242-L244 VanDerWaalsContact C-N 3.28Å; Q242-L244 PolarHBondContact O-N 3.2Å; L244-W248 HydrophobicContact CD2-CE3 3.92Å; L244-W248 HydrophobicContact CD2-CZ3 4.35Å; L244-W248 CarbonylContact O-C 3.52Å; L244-W248 VanDerWaalsContact O-C 3.31Å; L244-W248 VanDerWaalsContact O-CA 3.27Å; L244-W248 WeakPolarHBondContact O-CA 3.24Å; L244-W248 WeakPolarHBondContact O-CB 3.45Å; L244-W248 PolarHBondContact O-N 2.91Å; L244-Y249 PolarHBondContact O-N 2.94Å; L244-F250 CarbonylContact C-O 3.55Å; L244-F250 HydrophobicContact CB-CE1 4.39Å; L244-F250 HydrophobicContact CB-CE2 4.4Å; L244-F250 HydrophobicContact CB-CZ 4.18Å; L244-F250 HydrophobicContact CD1-CE2 4.14Å; L244-F250 HydrophobicContact CD1-CZ 4.12Å; L244-F250 HydrophobicContact CD2-CE1 4.07Å; L244-F250 HydrophobicContact CD2-CZ 3.69Å; L244-F250 HydrophobicContact CG-CZ 4.21Å; L244-C252 HydrophobicContact CD1-CB 3.53Å
245L96.2Very high95.9Very high100 Ų10052.4 Ų52.452%0.52426%0.263SS..Hα-helixtrans-67.8-42.6176.9-17763.3000111.5R241 Q242 Y249 F250R241-L245 VanDerWaalsContact O-CB 3.26Å; R241-L245 WeakPolarHBondContact O-CB 3.38Å; R241-L245 PolarHBondContact O-N 3.46Å; Q242-L245 PolarHBondContact O-N 3.21Å; L245-Y249 VanDerWaalsContact O-CA 3.26Å; L245-Y249 WeakPolarHBondContact O-CA 3.41Å; L245-Y249 PolarHBondContact O-N 3.21Å; L245-Y249 VanDerWaalsContact O-N 3.13Å; L245-F250 WeakPolarHBondContact CA-O 3.49Å; L245-F250 PolarHBondContact N-O 3.27Å
246E94Very high95.9Very high115 Ų11552.8 Ų52.854%0.53727%0.265SS..Hα-helixtrans-72.1-38.3-176.7-72.6174.1177.800112.9Q242Q242-E246 HydrophobicContact CG-CG 4.25Å; Q242-E246 WeakPolarHBondContact CG-OE1 3.35Å; Q242-E246 PolarHBondContact NE2-OE1 2.76Å; Q242-E246 WeakPolarHBondContact O-CB 3.38Å; Q242-E246 WeakPolarHBondContact O-CG 3.26Å; Q242-E246 PolarHBondContact O-N 2.8Å
247S92.7Very high95.8Very high37 Ų3752.8 Ų52.826%0.25926%0.264SS..Hα-helixtrans-100.5-30.6-174.2-630000113.9I167 M243I167-S247 WeakPolarHBondContact CD1-O 3.28Å; M243-S247 WeakPolarHBondContact O-CB 3.43Å; M243-S247 PolarHBondContact O-N 3.44Å
248W95.7Very high95.8Very high47 Ų4755.1 Ų55.118%0.17828%0.284CS..Hα-helixtrans-121.51.3-176.9-70.1-90.8000114.5H122 I167 Y230 I231 L244 F250H122-W248 PolarHBondContact NE2-O 3.5Å; I167-W248 PolarHBondContact O-NE1 3.47Å; Y230-W248 AromaticContact CD2-CD1 3.83Å; Y230-W248 HydrophobicContact CD2-CD2 4.04Å; Y230-W248 AromaticContact CD2-CE2 3.76Å; Y230-W248 HydrophobicContact CD2-CG 4.12Å; Y230-W248 HydrophobicContact CD2-CZ2 4.31Å; Y230-W248 AromaticContact CD2-NE1 3.62Å; Y230-W248 HydrophobicContact CG-CZ2 4.37Å; Y230-W248 WeakPolarHBondContact O-CH2 3.48Å; I231-W248 HydrophobicContact CG2-CE3 4.46Å; I231-W248 HydrophobicContact CG2-CH2 4.03Å; I231-W248 HydrophobicContact CG2-CZ3 3.58Å; L244-W248 HydrophobicContact CD2-CE3 3.92Å; L244-W248 HydrophobicContact CD2-CZ3 4.35Å; L244-W248 CarbonylContact O-C 3.52Å; L244-W248 VanDerWaalsContact O-C 3.31Å; L244-W248 VanDerWaalsContact O-CA 3.27Å; L244-W248 WeakPolarHBondContact O-CA 3.24Å; L244-W248 WeakPolarHBondContact O-CB 3.45Å; L244-W248 PolarHBondContact O-N 2.91Å; W248-F250 VanDerWaalsContact C-N 3.25Å; W248-F250 HydrophobicContact CB-CD1 3.53Å; W248-F250 HydrophobicContact CB-CE1 3.45Å; W248-F250 VanDerWaalsContact CB-CE1 3.45Å; W248-F250 HydrophobicContact CG-CE1 4.11Å; W248-F250 PolarHBondContact O-N 3.4Å
249Y95.2Very high95.8Very high52 Ų5255.4 Ų55.420%0.20429%0.286CS..SBendtrans60.726.8173.7-53.9-89.4000115.1H122 E125 M126 I167 L244 L245H122-Y249 HydrophobicContact CB-CD2 3.46Å; H122-Y249 VanDerWaalsContact CB-CD2 3.46Å; H122-Y249 HydrophobicContact CB-CE2 3.81Å; H122-Y249 HydrophobicContact CB-CG 3.95Å; H122-Y249 AromaticContact CD2-CD2 3.71Å; H122-Y249 AromaticContact CG-CD2 3.55Å; H122-Y249 AromaticContact CG-CG 3.82Å; E125-Y249 HydrophobicContact CB-CD1 3.68Å; E125-Y249 HydrophobicContact CB-CE1 3.65Å; E125-Y249 HydrophobicContact CB-CG 4.34Å; E125-Y249 HydrophobicContact CG-CD1 4.15Å; M126-Y249 HydrophobicContact CG-CE2 4.19Å; M126-Y249 WeakPolarHBondContact CG-OH 3.25Å; I167-Y249 HydrophobicContact CD1-CD2 3.85Å; I167-Y249 HydrophobicContact CD1-CE2 3.9Å; L244-Y249 PolarHBondContact O-N 2.94Å; L245-Y249 VanDerWaalsContact O-CA 3.26Å; L245-Y249 WeakPolarHBondContact O-CA 3.41Å; L245-Y249 PolarHBondContact O-N 3.21Å; L245-Y249 VanDerWaalsContact O-N 3.13Å
250F95.9Very high95.6Very high67 Ų6759.7 Ų59.729%0.29431%0.31SS..  trans-135.5155.717478.2-89.1000112.7H194 Y230 L244 L245 W248 C252H194-F250 HydrophobicContact CB-CZ 3.81Å; H194-F250 AromaticContact CD2-CZ 3.94Å; Y230-F250 HydrophobicContact CD2-CE1 4.42Å; Y230-F250 HydrophobicContact CE2-CE1 4.37Å; L244-F250 CarbonylContact C-O 3.55Å; L244-F250 HydrophobicContact CB-CE1 4.39Å; L244-F250 HydrophobicContact CB-CE2 4.4Å; L244-F250 HydrophobicContact CB-CZ 4.18Å; L244-F250 HydrophobicContact CD1-CE2 4.14Å; L244-F250 HydrophobicContact CD1-CZ 4.12Å; L244-F250 HydrophobicContact CD2-CE1 4.07Å; L244-F250 HydrophobicContact CD2-CZ 3.69Å; L244-F250 HydrophobicContact CG-CZ 4.21Å; L245-F250 WeakPolarHBondContact CA-O 3.49Å; L245-F250 PolarHBondContact N-O 3.27Å; W248-F250 VanDerWaalsContact C-N 3.25Å; W248-F250 HydrophobicContact CB-CD1 3.53Å; W248-F250 HydrophobicContact CB-CE1 3.45Å; W248-F250 VanDerWaalsContact CB-CE1 3.45Å; W248-F250 HydrophobicContact CG-CE1 4.11Å; W248-F250 PolarHBondContact O-N 3.4Å; F250-C252 HydrophobicContact CE2-CB 4Å
251Q96.1Very high95.4Very high115 Ų11562.5 Ų62.554%0.53733%0.328SS..  trans-101123.1172.2-178.3177.1-17.800110R241R241-Q251 HydrophobicContact CG-CG 4.37Å
252C97.2Very high95.4Very high6 Ų661 Ų614%0.04132%0.322CS..  trans-76135.4-179.7-1710000113.1C196 R241 L244 F250 C257C196-C252 VanDerWaalsContact SG-SG 3.61Å; R241-C252 PolarHBondContact NE-O 3.07Å; R241-C252 VanDerWaalsContact NE-O 3.09Å; R241-C252 PolarHBondContact NH2-O 2.84Å; L244-C252 HydrophobicContact CD1-CB 3.53Å; F250-C252 HydrophobicContact CE2-CB 4Å; C252-C257 WeakPolarHBondContact O-CB 3.26Å
253C96.1Very high95.2Very high91 Ų9159 Ų5962%0.61531%0.313SS*.  trans-125.422.3177.6-61.30000112.6S258C253-S258 PolarHBondContact O-OG 2.89Å; C253-S258 VanDerWaalsContact O-OG 3.1Å
254C97.2Very high95.1Very high22 Ų2257.5 Ų57.515%0.14931%0.305CS..SBendtrans-61.9169.3176.975.50000112.5S195 C196 R256 C257 S258S195-C254 WeakPolarHBondContact OG-CB 3.45Å; C196-C254 PolarHBondContact N-SG 3.22Å; C254-R256 VanDerWaalsContact C-N 3.28Å; C254-R256 PolarHBondContact O-N 3.19Å; C254-R256 VanDerWaalsContact O-N 3.12Å; C254-C257 WeakPolarHBondContact O-CA 3.28Å; C254-C257 PolarHBondContact O-N 3.26Å; C254-S258 PolarHBondContact O-N 3.33Å; C254-S258 PolarHBondContact O-OG 3.44Å
255N94.9Very high95.1Very high137 Ų13757.5 Ų57.573%0.73331%0.305SS*.Hα-helixtrans-48.8-43.9-177.9-67.1-6.9000113.5S258 D259N255-S258 CarbonylContact O-C 3.56Å; N255-S258 PolarHBondContact O-N 3.03Å; N255-D259 WeakPolarHBondContact O-CB 3.46Å; N255-D259 PolarHBondContact O-N 3.37Å
256R96.4Very high95.2Very high9 Ų953.1 Ų53.13%0.03428%0.283CS..Hα-helixtrans-73.4-31178179.7173.6162.5-144.81.4113.7C196 W197 L233 A235 R240 C254 S258 D262 C383C196-R256 WeakPolarHBondContact O-CD 3.14Å; C196-R256 PolarHBondContact O-NH1 3.35Å; W197-R256 HydrophobicContact CB-CB 3.74Å; W197-R256 HydrophobicContact CE3-CB 4.44Å; W197-R256 HydrophobicContact CG-CB 4.44Å; L233-R256 PolarHBondContact O-NH1 3.46Å; L233-R256 PolarHBondContact O-NH2 3.48Å; L233-R256 VanDerWaalsContact O-NH2 3.09Å; A235-R256 PolarHBondContact O-NH2 2.95Å; R240-R256 VanDerWaalsContact CZ-NE 3.34Å; R240-R256 VanDerWaalsContact NH1-CG 3.33Å; C254-R256 VanDerWaalsContact C-N 3.28Å; C254-R256 PolarHBondContact O-N 3.19Å; C254-R256 VanDerWaalsContact O-N 3.12Å; R256-S258 PolarHBondContact O-N 2.91Å; R256-D262 WeakPolarHBondContact CG-OD1 3.49Å; R256-D262 IonicContact CZ-OD1 3.69Å; R256-D262 IonicContact NE-OD1 2.71Å; R256-D262 PolarHBondContact NE-OD1 3.29Å; R256-C383 PolarHBondContact NH1-O 3.36Å; R256-C383 PolarHBondContact NH2-SG 3.12Å; R256-C383 VanDerWaalsContact NH2-SG 3.36Å
257C95.9Very high95.3Very high1 Ų147.6 Ų47.61%0.00726%0.257CS..Hα-helixtrans-73.1-20.1174.4-72.10000112.9C196 R237 R241 C252 C254C196-C257 PolarHBondContact SG-SG 3.23Å; R237-C257 PolarHBondContact NE-O 3.39Å; R241-C257 PolarHBondContact NH2-O 3.32Å; C252-C257 WeakPolarHBondContact O-CB 3.26Å; C254-C257 WeakPolarHBondContact O-CA 3.28Å; C254-C257 PolarHBondContact O-N 3.26Å
258S94.5Very high95.5Very high71 Ų7145.9 Ų45.950%0.49725%0.245SC..Hα-helixtrans-102.1-9.6179.2-56.30000113.1C253 C254 N255 R256 D260C253-S258 PolarHBondContact O-OG 2.89Å; C253-S258 VanDerWaalsContact O-OG 3.1Å; C254-S258 PolarHBondContact O-N 3.33Å; C254-S258 PolarHBondContact O-OG 3.44Å; N255-S258 CarbonylContact O-C 3.56Å; N255-S258 PolarHBondContact O-N 3.03Å; R256-S258 PolarHBondContact O-N 2.91Å; S258-D260 PolarHBondContact O-N 3.29Å
259D94.2Very high95.6Very high71 Ų7147.5 Ų47.538%0.3825%0.251SS..  trans-77.9110.7176.9176.5-9.2000110.9R237 N255 T261 D262R237-D259 VanDerWaalsContact NH2-C 3.34Å; R237-D259 PolarHBondContact NH2-O 2.87Å; N255-D259 WeakPolarHBondContact O-CB 3.46Å; N255-D259 PolarHBondContact O-N 3.37Å; D259-T261 VanDerWaalsContact CG-OG1 3.25Å; D259-T261 PolarHBondContact O-N 3.02Å; D259-T261 WeakPolarHBondContact OD1-CB 3.32Å; D259-T261 PolarHBondContact OD1-N 3.45Å; D259-T261 PolarHBondContact OD1-OG1 3.46Å; D259-T261 PolarHBondContact OD2-OG1 2.9Å; D259-D262 VanDerWaalsContact O-CB 3.29Å; D259-D262 WeakPolarHBondContact O-CB 3.25Å; D259-D262 PolarHBondContact O-N 3.45Å
260D91.4Very high95.7Very high120 Ų12045.1 Ų45.164%0.64224%0.242SC*.G310 helixtrans-54.8-27.4-178.9-73.6-30.9000113.9S258 D262 H263S258-D260 PolarHBondContact O-N 3.29Å; D260-D262 PolarHBondContact O-N 3.47Å; D260-H263 PolarHBondContact O-ND1 3.29Å
261T93Very high95.6Very high60 Ų6046.2 Ų46.237%0.36826%0.263SS..G310 helixtrans-72.4-12.6178.973.30000113.5D259 H263 L264 R382D259-T261 VanDerWaalsContact CG-OG1 3.25Å; D259-T261 PolarHBondContact O-N 3.02Å; D259-T261 WeakPolarHBondContact OD1-CB 3.32Å; D259-T261 PolarHBondContact OD1-N 3.45Å; D259-T261 PolarHBondContact OD1-OG1 3.46Å; D259-T261 PolarHBondContact OD2-OG1 2.9Å; T261-H263 PolarHBondContact O-N 3.43Å; T261-H263 VanDerWaalsContact O-N 3.08Å; T261-L264 WeakPolarHBondContact O-CB 3.48Å; T261-L264 VanDerWaalsContact O-CG 3.31Å; T261-L264 WeakPolarHBondContact O-CG 3.47Å; T261-L264 PolarHBondContact O-N 2.89Å; T261-L264 VanDerWaalsContact O-N 3.07Å; T261-R382 PolarHBondContact O-NH2 3.02Å; T261-R382 PolarHBondContact OG1-NH2 3.33Å
262D95.1Very high95.6Very high3 Ų348.4 Ų48.42%0.01627%0.271CS..G310 helixtrans-61.5-17.8178-166.285.1000112.8R237 R240 R256 D259 D260 L264 L265R237-D262 VanDerWaalsContact CB-OD2 3.31Å; R237-D262 WeakPolarHBondContact CB-OD2 3.43Å; R237-D262 IonicContact NE-OD2 2.84Å; R240-D262 IonicContact CZ-OD1 2.56Å; R240-D262 IonicContact CZ-OD2 3.21Å; R240-D262 IonicContact NH2-OD1 2.62Å; R240-D262 PolarHBondContact NH2-OD1 3.09Å; R240-D262 IonicContact NH2-OD2 2.64Å; R240-D262 PolarHBondContact NH2-OD2 3.38Å; R256-D262 WeakPolarHBondContact CG-OD1 3.49Å; R256-D262 IonicContact CZ-OD1 3.69Å; R256-D262 IonicContact NE-OD1 2.71Å; R256-D262 PolarHBondContact NE-OD1 3.29Å; D259-D262 VanDerWaalsContact O-CB 3.29Å; D259-D262 WeakPolarHBondContact O-CB 3.25Å; D259-D262 PolarHBondContact O-N 3.45Å; D260-D262 PolarHBondContact O-N 3.47Å; D262-L264 PolarHBondContact O-N 2.9Å; D262-L264 VanDerWaalsContact O-N 3.1Å; D262-L265 WeakPolarHBondContact O-CB 3.26Å; D262-L265 PolarHBondContact O-N 3.14Å; D262-L265 VanDerWaalsContact O-N 3.13Å; D262-L265 WeakPolarHBondContact OD1-CD1 3.25Å
263H92.8Very high95.5Very high55 Ų5550.7 Ų50.726%0.25529%0.287SS..G310 helixtrans-56.2-24.5171.673.9-98.9000113.5D260 T261 L265 T266 A267 A278D260-H263 PolarHBondContact O-ND1 3.29Å; T261-H263 PolarHBondContact O-N 3.43Å; T261-H263 VanDerWaalsContact O-N 3.08Å; H263-L265 PolarHBondContact O-N 3.39Å; H263-T266 CarbonylContact O-C 3.59Å; H263-T266 PolarHBondContact O-N 3.4Å; H263-T266 PolarHBondContact O-OG1 2.95Å; H263-A267 PolarHBondContact O-N 3.15Å; H263-A278 HydrophobicContact CB-CB 4.46Å; H263-A278 WeakPolarHBondContact CD2-CB 3.49Å
264L95.3Very high95.5Very high28 Ų2848.7 Ų48.715%0.14728%0.277CS..G310 helixtrans-58.5-27178.1-71.1170.7000112.5T261 D262 T266 A267 E346 R382T261-L264 WeakPolarHBondContact O-CB 3.48Å; T261-L264 VanDerWaalsContact O-CG 3.31Å; T261-L264 WeakPolarHBondContact O-CG 3.47Å; T261-L264 PolarHBondContact O-N 2.89Å; T261-L264 VanDerWaalsContact O-N 3.07Å; D262-L264 PolarHBondContact O-N 2.9Å; D262-L264 VanDerWaalsContact O-N 3.1Å; L264-T266 PolarHBondContact O-N 3.15Å; L264-T266 VanDerWaalsContact O-N 3.12Å; L264-A267 HydrophobicContact CD2-CB 4.29Å; L264-A267 WeakPolarHBondContact O-CB 3.38Å; L264-A267 PolarHBondContact O-N 3.48Å; L264-A267 VanDerWaalsContact O-N 3.13Å; L264-E346 HydrophobicContact CB-CB 4.25Å; L264-R382 VanDerWaalsContact CD1-NH1 3.33Å
265L97.3Very high95.5Very high0 Ų048.6 Ų48.60%028%0.277CS..G310 helixtrans-65.9-13.2175.9-61179.6000113.5D262 H263 E346 N347 V348 R382D262-L265 WeakPolarHBondContact O-CB 3.26Å; D262-L265 PolarHBondContact O-N 3.14Å; D262-L265 VanDerWaalsContact O-N 3.13Å; D262-L265 WeakPolarHBondContact OD1-CD1 3.25Å; H263-L265 PolarHBondContact O-N 3.39Å; L265-E346 WeakPolarHBondContact CD2-O 3.44Å; L265-N347 WeakPolarHBondContact O-CA 3.35Å; L265-V348 HydrophobicContact CB-CB 4.45Å; L265-V348 WeakPolarHBondContact O-CG1 3.3Å; L265-V348 PolarHBondContact O-N 3.28Å; L265-R382 HydrophobicContact CD2-CB 3.94Å
266T97.4Very high95.6Very high8 Ų843.6 Ų43.65%0.04925%0.253CS..G310 helixtrans-124.38.9176.651.60000112.3H263 L264 I279 Y280 M310 Y349H263-T266 CarbonylContact O-C 3.59Å; H263-T266 PolarHBondContact O-N 3.4Å; H263-T266 PolarHBondContact O-OG1 2.95Å; L264-T266 PolarHBondContact O-N 3.15Å; L264-T266 VanDerWaalsContact O-N 3.12Å; T266-I279 WeakPolarHBondContact O-CD1 3.38Å; T266-Y280 HydrophobicContact CG2-CE2 4.43Å; T266-M310 HydrophobicContact CG2-SD 4.44Å; T266-Y349 HydrophobicContact CG2-CE2 4.25Å
267A97.3Very high95.6Very high0 Ų043.5 Ų43.50%025%0.254CS..PPolyproline II helixtrans-70.8153.6-176.600000111.7H263 L264 V277 A344 N347H263-A267 PolarHBondContact O-N 3.15Å; L264-A267 HydrophobicContact CD2-CB 4.29Å; L264-A267 WeakPolarHBondContact O-CB 3.38Å; L264-A267 PolarHBondContact O-N 3.48Å; L264-A267 VanDerWaalsContact O-N 3.13Å; A267-V277 WeakPolarHBondContact CA-O 3.45Å; A267-V277 WeakPolarHBondContact CB-O 3.11Å; A267-A344 HydrophobicContact CB-CB 3.75Å; A267-A344 VanDerWaalsContact O-CB 3.3Å; A267-A344 WeakPolarHBondContact O-CB 3.46Å; A267-A344 PolarHBondContact O-N 2.9Å; A267-N347 PolarHBondContact O-ND2 3.03Å
268I97.7Very high95.6Very high0 Ų044.1 Ų44.10%026%0.259CS..EExtended strand (participates in β ladder)trans-101.6158.3173.762.8171.7000109.9V277 I279 L290 F299 M301 A306 L342 L343I268-V277 HydrophobicContact CG1-CB 4.1Å; I268-V277 PolarHBondContact N-O 3.48Å; I268-V277 PolarHBondContact O-N 3.47Å; I268-I279 HydrophobicContact CB-CG2 4.38Å; I268-I279 HydrophobicContact CD1-CG2 4.14Å; I268-I279 HydrophobicContact CG1-CG2 3.95Å; I268-I279 HydrophobicContact CG2-CG2 3.69Å; I268-L290 HydrophobicContact CD1-CD1 3.43Å; I268-L290 VanDerWaalsContact CD1-CD1 3.43Å; I268-L290 HydrophobicContact CG1-CD1 4.47Å; I268-F299 HydrophobicContact CD1-CD1 3.38Å; I268-F299 HydrophobicContact CD1-CE1 3.47Å; I268-F299 VanDerWaalsContact CD1-CE1 3.47Å; I268-F299 HydrophobicContact CD1-CG 4.07Å; I268-F299 HydrophobicContact CD1-CZ 4.21Å; I268-F299 HydrophobicContact CG1-CD1 4.25Å; I268-F299 HydrophobicContact CG1-CE1 3.81Å; I268-F299 HydrophobicContact CG1-CZ 4.33Å; I268-M301 HydrophobicContact CB-CE 3.94Å; I268-M301 HydrophobicContact CD1-CE 3.86Å; I268-M301 HydrophobicContact CG2-CE 3.6Å; I268-A306 HydrophobicContact CG2-CB 3.72Å; I268-L342 CarbonylContact C-O 3.6Å; I268-L342 WeakPolarHBondContact CA-O 3.48Å; I268-L342 WeakPolarHBondContact CB-O 3.46Å; I268-L343 HydrophobicContact CG2-CD2 4.3Å
269R97.2Very high95.7Very high81 Ų8140.8 Ų40.831%0.30624%0.235SC..EExtended strand (participates in β ladder)trans-95.5127.6-177.2-178.9175.6-178.1-87.1-1.2110.7A271 F299 L342 L343R269-A271 PolarHBondContact O-N 3.3Å; R269-F299 WeakPolarHBondContact O-CE1 3.01Å; R269-L342 PolarHBondContact N-O 3.27Å; R269-L343 WeakPolarHBondContact CB-O 3.38Å
270C97Very high95.7Very high3 Ų339.1 Ų39.12%0.0222%0.224CC..PPolyproline II helixtrans-67.9121170.7-1760000110.9K272 A274 A275 V277 C292 F299C270-K272 PolarHBondContact O-N 3Å; C270-A274 WeakPolarHBondContact O-CA 3.37Å; C270-A274 PolarHBondContact O-N 3.22Å; C270-A275 HydrophobicContact CB-CB 4.42Å; C270-A275 WeakPolarHBondContact CB-O 3.46Å; C270-A275 PolarHBondContact N-O 3.13Å; C270-V277 HydrophobicContact CB-CG2 4.4Å; C270-C292 HydrophobicContact CB-CB 4.41Å; C270-F299 VanDerWaalsContact CA-CZ 3.49Å; C270-F299 HydrophobicContact CB-CE1 4.49Å; C270-F299 HydrophobicContact CB-CE2 4.46Å; C270-F299 HydrophobicContact CB-CZ 3.74Å
271A94.1Very high95.5Very high89 Ų8940.4 Ų40.474%0.73623%0.226SC*.THydrogen-bonded Turntrans-61.8-28.4178.500000113.6R269R269-A271 PolarHBondContact O-N 3.3Å
272K95.2Very high95.1Very high162 Ų16239.5 Ų39.570%0.70423%0.229SC*.THydrogen-bonded Turntrans-85.8-36.1-176.8-59.4-157.4-160.1158.90114.8C270 S297C270-K272 PolarHBondContact O-N 3Å; K272-S297 WeakPolarHBondContact CD-OG 3.45Å; K272-S297 VanDerWaalsContact CE-OG 3.24Å; K272-S297 WeakPolarHBondContact CE-OG 3.26Å; K272-S297 PolarHBondContact NZ-OG 3.04Å
273C96.2Very high94.5Very high54 Ų5443.5 Ų43.537%0.36525%0.25SS..THydrogen-bonded Turntrans-129.83.7-173.6680000114.5A275 C295C273-A275 PolarHBondContact O-N 3.32Å; C273-A275 VanDerWaalsContact SG-CB 3.56Å; C273-C295 HydrophobicContact CB-CB 4.1Å
274A95.5Very high94.4Very high49 Ų4945.5 Ų45.541%0.40527%0.266SS..  trans61.93.2-177.900000116.3C270C270-A274 WeakPolarHBondContact O-CA 3.37Å; C270-A274 PolarHBondContact O-N 3.22Å
275A96.8Very high94.4Very high20 Ų2046.7 Ų46.717%0.16527%0.272CS..  trans-60.3145.1176.800000112.3C270 C273 E294C270-A275 HydrophobicContact CB-CB 4.42Å; C270-A275 WeakPolarHBondContact CB-O 3.46Å; C270-A275 PolarHBondContact N-O 3.13Å; C273-A275 PolarHBondContact O-N 3.32Å; C273-A275 VanDerWaalsContact SG-CB 3.56Å; A275-E294 HydrophobicContact CB-CB 4.09Å; A275-E294 HydrophobicContact CB-CG 3.54Å
276S97Very high94.3Very high32 Ų3250.4 Ų50.422%0.22429%0.289CS..EExtended strand (participates in β ladder)trans-81.7117.7175.5-56.30000109.8A344 E346S276-A344 WeakPolarHBondContact OG-CB 3.48Å; S276-E346 PolarHBondContact OG-OE2 3.04Å
277V96.9Very high94Very high7 Ų759.3 Ų59.34%0.04233%0.327CS..EExtended strand (participates in β ladder)trans-109.8123.5-175.11790000110.4A267 I268 C270 I279 C292 F299A267-V277 WeakPolarHBondContact CA-O 3.45Å; A267-V277 WeakPolarHBondContact CB-O 3.11Å; I268-V277 HydrophobicContact CG1-CB 4.1Å; I268-V277 PolarHBondContact N-O 3.48Å; I268-V277 PolarHBondContact O-N 3.47Å; C270-V277 HydrophobicContact CB-CG2 4.4Å; V277-I279 PolarHBondContact O-N 2.85Å; V277-C292 HydrophobicContact CG2-CB 4.16Å; V277-F299 HydrophobicContact CB-CE2 4.14Å; V277-F299 HydrophobicContact CB-CZ 3.82Å; V277-F299 HydrophobicContact CG1-CE2 4.06Å; V277-F299 HydrophobicContact CG1-CZ 4.22Å; V277-F299 HydrophobicContact CG2-CE2 3.78Å; V277-F299 HydrophobicContact CG2-CZ 3.52Å
278A95.8Very high93.8Very high14 Ų1461.5 Ų61.512%0.11635%0.349CS..  trans-67126.5179.200000111.9H263 K286H263-A278 HydrophobicContact CB-CB 4.46Å; H263-A278 WeakPolarHBondContact CD2-CB 3.49Å; A278-K286 WeakPolarHBondContact O-CD 3.48Å; A278-K286 WeakPolarHBondContact O-CE 3.32Å; A278-K286 PolarHBondContact O-NZ 2.98Å
279I96.4Very high93.6Very high0 Ų065.6 Ų65.60%037%0.374CS..SBendtrans-91.7-14.2170.970.5173.7000112.8T266 I268 V277 L285 K286 L290 A303 A306 V307 M310T266-I279 WeakPolarHBondContact O-CD1 3.38Å; I268-I279 HydrophobicContact CB-CG2 4.38Å; I268-I279 HydrophobicContact CD1-CG2 4.14Å; I268-I279 HydrophobicContact CG1-CG2 3.95Å; I268-I279 HydrophobicContact CG2-CG2 3.69Å; V277-I279 PolarHBondContact O-N 2.85Å; I279-L285 HydrophobicContact CD1-CD1 4.44Å; I279-L285 HydrophobicContact CG1-CD1 4.42Å; I279-K286 WeakPolarHBondContact O-CB 3.23Å; I279-K286 PolarHBondContact O-N 2.95Å; I279-L290 HydrophobicContact CG2-CD1 3.87Å; I279-A303 HydrophobicContact CB-CB 4Å; I279-A306 HydrophobicContact CD1-CB 4.17Å; I279-A306 HydrophobicContact CG2-CB 4.37Å; I279-V307 HydrophobicContact CD1-CG2 3.85Å; I279-M310 HydrophobicContact CD1-CE 3.43Å; I279-M310 VanDerWaalsContact CD1-CE 3.43Å
280Y93.9Very high93.6Very high36 Ų3662 Ų6214%0.14136%0.361CS..EExtended strand (participates in β ladder)trans-110.1147.8174.1-70.8-79.4000110.7I238 T266 T284 L285 V307I238-Y280 HydrophobicContact CD1-CD1 4.04Å; I238-Y280 HydrophobicContact CD1-CD2 4.29Å; I238-Y280 HydrophobicContact CD1-CE1 3.34Å; I238-Y280 HydrophobicContact CD1-CE2 3.64Å; I238-Y280 HydrophobicContact CD1-CG 4.48Å; I238-Y280 WeakPolarHBondContact CD1-OH 3.4Å; T266-Y280 HydrophobicContact CG2-CE2 4.43Å; Y280-T284 CarbonylContact C-O 3.54Å; Y280-T284 WeakPolarHBondContact CA-O 3.37Å; Y280-L285 HydrophobicContact CD1-CB 4.27Å; Y280-L285 HydrophobicContact CD1-CD1 4.04Å; Y280-L285 HydrophobicContact CE1-CB 3.96Å; Y280-L285 HydrophobicContact CE1-CD1 3.55Å; Y280-L285 HydrophobicContact CE1-CG 4.39Å; Y280-L285 HydrophobicContact CE2-CD1 4.19Å; Y280-V307 HydrophobicContact CE2-CG2 4.31Å; Y280-V307 VanDerWaalsContact OH-CG2 3.25Å; Y280-V307 WeakPolarHBondContact OH-CG2 3.27Å
281E88Confident93.5Very high148 Ų14869.3 Ų69.369%0.69239%0.388SS*.EExtended strand (participates in β ladder)trans-114.9109160.6-176.7174.7-160.100107.7N283 T284 K286E281-N283 PolarHBondContact O-N 3.48Å; E281-T284 PolarHBondContact N-O 3.25Å; E281-T284 PolarHBondContact O-N 3Å; E281-K286 HydrophobicContact CB-CG 4.46Å
282G83.6Confident93.7Very high41 Ų4165.1 Ų65.142%0.42335%0.354SS..THydrogen-bonded Turntrans61.3-106.4-168.500000111.8R237R237-G282 PolarHBondContact NH1-O 2.68Å
283N83.2Confident93.6Very high87 Ų8762.2 Ų62.247%0.46535%0.353SS..THydrogen-bonded Turntrans-112.1-1.6174.6-65.8-27.7000112.9R241 E281R241-N283 PolarHBondContact NH1-ND2 2.77Å; R241-N283 VanDerWaalsContact NH1-ND2 3.14Å; R241-N283 PolarHBondContact NH1-OD1 3.03Å; E281-N283 PolarHBondContact O-N 3.48Å
284T91Very high93.6Very high97 Ų9766.3 Ų66.360%0.59537%0.367SS*.EExtended strand (participates in β ladder)trans-94.5127.5-175.2-56.70000109.1Y280 E281 K286Y280-T284 CarbonylContact C-O 3.54Å; Y280-T284 WeakPolarHBondContact CA-O 3.37Å; E281-T284 PolarHBondContact N-O 3.25Å; E281-T284 PolarHBondContact O-N 3Å; T284-K286 PolarHBondContact O-N 2.84Å
285L94.5Very high93.7Very high52 Ų5266.5 Ų66.527%0.27237%0.365SS..EExtended strand (participates in β ladder)trans-66.1129.2173.1-167.971.1000109.1I279 Y280 A303 D304 V307I279-L285 HydrophobicContact CD1-CD1 4.44Å; I279-L285 HydrophobicContact CG1-CD1 4.42Å; Y280-L285 HydrophobicContact CD1-CB 4.27Å; Y280-L285 HydrophobicContact CD1-CD1 4.04Å; Y280-L285 HydrophobicContact CE1-CB 3.96Å; Y280-L285 HydrophobicContact CE1-CD1 3.55Å; Y280-L285 HydrophobicContact CE1-CG 4.39Å; Y280-L285 HydrophobicContact CE2-CD1 4.19Å; L285-A303 HydrophobicContact CD1-CB 3.62Å; L285-A303 HydrophobicContact CD2-CB 4.22Å; L285-A303 HydrophobicContact CG-CB 3.67Å; L285-D304 HydrophobicContact CD2-CB 3.93Å; L285-V307 HydrophobicContact CD1-CG2 3.74Å
286K95.1Very high93.7Very high78 Ų7867.4 Ų67.434%0.33938%0.376SS..PPolyproline II helixtrans-62.4138.8176.5-71.9-175.1-179.2173.10109.7A278 I279 E281 T284 L290 A303A278-K286 WeakPolarHBondContact O-CD 3.48Å; A278-K286 WeakPolarHBondContact O-CE 3.32Å; A278-K286 PolarHBondContact O-NZ 2.98Å; I279-K286 WeakPolarHBondContact O-CB 3.23Å; I279-K286 PolarHBondContact O-N 2.95Å; E281-K286 HydrophobicContact CB-CG 4.46Å; T284-K286 PolarHBondContact O-N 2.84Å; K286-L290 HydrophobicContact CB-CD2 3.77Å; K286-L290 HydrophobicContact CD-CD2 3.85Å; K286-L290 HydrophobicContact CG-CD2 4.46Å; K286-A303 VanDerWaalsContact O-CB 3.27Å; K286-A303 WeakPolarHBondContact O-CB 3.35Å
287K92.7Very high93.6Very high196 Ų19666.5 Ų66.585%0.85237%0.37SS*.PPolyproline II helixtrans-102.5148.4178.6-63.1-176.7179.9-179.30110.2
288G91.8Very high93.6Very high45 Ų4570.4 Ų70.446%0.46439%0.39SS..SBendtrans79.1-158177.300000113.5L290 H302G288-L290 PolarHBondContact O-N 3.27Å; G288-H302 PolarHBondContact O-ND1 3.24Å
289T94.6Very high93.6Very high86 Ų8671 Ų7153%0.52839%0.391SS..  trans-70.5124-177.6-550000110.8D298T289-D298 HydrophobicContact CG2-CB 3.64Å
290L95.9Very high93.3Very high6 Ų680.1 Ų80.13%0.03143%0.433CS..  trans-74.5140171.8-62171.9000109.1I268 I279 K286 G288 D298 F299 A303I268-L290 HydrophobicContact CD1-CD1 3.43Å; I268-L290 VanDerWaalsContact CD1-CD1 3.43Å; I268-L290 HydrophobicContact CG1-CD1 4.47Å; I279-L290 HydrophobicContact CG2-CD1 3.87Å; K286-L290 HydrophobicContact CB-CD2 3.77Å; K286-L290 HydrophobicContact CD-CD2 3.85Å; K286-L290 HydrophobicContact CG-CD2 4.46Å; G288-L290 PolarHBondContact O-N 3.27Å; L290-D298 CarbonylContact O-C 3.5Å; L290-D298 WeakPolarHBondContact O-CA 3.43Å; L290-F299 HydrophobicContact CB-CB 4.05Å; L290-F299 HydrophobicContact CB-CD2 4.09Å; L290-F299 HydrophobicContact CB-CG 4.19Å; L290-F299 WeakPolarHBondContact O-CD2 3.33Å; L290-F299 PolarHBondContact O-N 3.43Å; L290-A303 HydrophobicContact CD1-CB 4.28Å; L290-A303 HydrophobicContact CD2-CB 4.35Å
291R96Very high93.3Very high156 Ų15680 Ų8059%0.58943%0.434SS*.BIsolated β-bridgetrans-125.4134.7177.4-179.3169.9-84.2-160.9-7.8110.3G296 S297 D298R291-G296 PolarHBondContact NE-O 2.88Å; R291-S297 WeakPolarHBondContact CA-O 3.39Å; R291-D298 IonicContact CZ-OD1 3.81Å; R291-D298 IonicContact CZ-OD2 3.98Å; R291-D298 IonicContact NE-OD1 3.67Å; R291-D298 PolarHBondContact NE-OD1 3.43Å; R291-D298 IonicContact NE-OD2 3.56Å; R291-D298 IonicContact NH2-OD1 3.93Å; R291-D298 PolarHBondContact NH2-OD1 3Å; R291-D298 IonicContact NH2-OD2 2.88Å; R291-D298 PolarHBondContact NH2-OD2 3.27Å
292C97.2Very high93.6Very high2 Ų276.3 Ų76.31%0.01442%0.417CS..  trans-70.4127.1175-174.60000110.6C270 V277 E294 G296 S297 F299C270-C292 HydrophobicContact CB-CB 4.41Å; V277-C292 HydrophobicContact CG2-CB 4.16Å; C292-E294 VanDerWaalsContact C-N 3.28Å; C292-E294 PolarHBondContact O-N 3.1Å; C292-E294 PolarHBondContact SG-N 3.47Å; C292-E294 VanDerWaalsContact SG-N 3.45Å; C292-G296 WeakPolarHBondContact O-CA 3.24Å; C292-G296 PolarHBondContact O-N 3.32Å; C292-S297 PolarHBondContact N-O 3.25Å; C292-F299 HydrophobicContact CB-CE2 3.96Å
293S93.8Very high94.2Very high100 Ų10074.4 Ų74.470%0.69940%0.397SS*.THydrogen-bonded Turntrans-65.8-31174.7520000112.9
294E96.3Very high94.8Very high141 Ų14175 Ų7566%0.65940%0.4SS*.THydrogen-bonded Turntrans-82.2-42.9-173.2-55-51.5125.300113.1A275 C292A275-E294 HydrophobicContact CB-CB 4.09Å; A275-E294 HydrophobicContact CB-CG 3.54Å; C292-E294 VanDerWaalsContact C-N 3.28Å; C292-E294 PolarHBondContact O-N 3.1Å; C292-E294 PolarHBondContact SG-N 3.47Å; C292-E294 VanDerWaalsContact SG-N 3.45Å
295C97.2Very high95.1Very high52 Ų5275 Ų7535%0.35139%0.394SS..THydrogen-bonded Turntrans-118.71.3-17575.10000114.4C273 S297C273-C295 HydrophobicContact CB-CB 4.1Å; C295-S297 PolarHBondContact O-N 3.37Å; C295-S297 VanDerWaalsContact O-N 3.08Å; C295-S297 VanDerWaalsContact SG-CB 3.59Å; C295-S297 PolarHBondContact SG-OG 3.06Å; C295-S297 VanDerWaalsContact SG-OG 3.38Å
296G96.1Very high95.2Very high39 Ų3972.5 Ų72.540%0.40238%0.381SS..  trans67.17.3178.600000115.3R291 C292R291-G296 PolarHBondContact NE-O 2.88Å; C292-G296 WeakPolarHBondContact O-CA 3.24Å; C292-G296 PolarHBondContact O-N 3.32Å
297S96.2Very high95.3Very high14 Ų1469.9 Ų69.910%0.09837%0.371CS..PPolyproline II helixtrans-77.7138.6-178.3-64.30000112.2K272 R291 C292 C295K272-S297 WeakPolarHBondContact CD-OG 3.45Å; K272-S297 VanDerWaalsContact CE-OG 3.24Å; K272-S297 WeakPolarHBondContact CE-OG 3.26Å; K272-S297 PolarHBondContact NZ-OG 3.04Å; R291-S297 WeakPolarHBondContact CA-O 3.39Å; C292-S297 PolarHBondContact N-O 3.25Å; C295-S297 PolarHBondContact O-N 3.37Å; C295-S297 VanDerWaalsContact O-N 3.08Å; C295-S297 VanDerWaalsContact SG-CB 3.59Å; C295-S297 PolarHBondContact SG-OG 3.06Å; C295-S297 VanDerWaalsContact SG-OG 3.38Å
298D96.4Very high95.6Very high88 Ų8865 Ų6547%0.47135%0.351SS..BIsolated β-bridgetrans-80.6146174.1-66.2-30.5000110.7T289 L290 R291T289-D298 HydrophobicContact CG2-CB 3.64Å; L290-D298 CarbonylContact O-C 3.5Å; L290-D298 WeakPolarHBondContact O-CA 3.43Å; R291-D298 IonicContact CZ-OD1 3.81Å; R291-D298 IonicContact CZ-OD2 3.98Å; R291-D298 IonicContact NE-OD1 3.67Å; R291-D298 PolarHBondContact NE-OD1 3.43Å; R291-D298 IonicContact NE-OD2 3.56Å; R291-D298 IonicContact NH2-OD1 3.93Å; R291-D298 PolarHBondContact NH2-OD1 3Å; R291-D298 IonicContact NH2-OD2 2.88Å; R291-D298 PolarHBondContact NH2-OD2 3.27Å
299F95.7Very high95.8Very high28 Ų2864.6 Ų64.612%0.12334%0.338CS..PPolyproline II helixtrans-98.8138.9176.3-71.9-112.2000109.7I268 R269 C270 V277 L290 C292I268-F299 HydrophobicContact CD1-CD1 3.38Å; I268-F299 HydrophobicContact CD1-CE1 3.47Å; I268-F299 VanDerWaalsContact CD1-CE1 3.47Å; I268-F299 HydrophobicContact CD1-CG 4.07Å; I268-F299 HydrophobicContact CD1-CZ 4.21Å; I268-F299 HydrophobicContact CG1-CD1 4.25Å; I268-F299 HydrophobicContact CG1-CE1 3.81Å; I268-F299 HydrophobicContact CG1-CZ 4.33Å; R269-F299 WeakPolarHBondContact O-CE1 3.01Å; C270-F299 VanDerWaalsContact CA-CZ 3.49Å; C270-F299 HydrophobicContact CB-CE1 4.49Å; C270-F299 HydrophobicContact CB-CE2 4.46Å; C270-F299 HydrophobicContact CB-CZ 3.74Å; V277-F299 HydrophobicContact CB-CE2 4.14Å; V277-F299 HydrophobicContact CB-CZ 3.82Å; V277-F299 HydrophobicContact CG1-CE2 4.06Å; V277-F299 HydrophobicContact CG1-CZ 4.22Å; V277-F299 HydrophobicContact CG2-CE2 3.78Å; V277-F299 HydrophobicContact CG2-CZ 3.52Å; L290-F299 HydrophobicContact CB-CB 4.05Å; L290-F299 HydrophobicContact CB-CD2 4.09Å; L290-F299 HydrophobicContact CB-CG 4.19Å; L290-F299 WeakPolarHBondContact O-CD2 3.33Å; L290-F299 PolarHBondContact O-N 3.43Å; C292-F299 HydrophobicContact CB-CE2 3.96Å
300E91.2Very high96Very high191 Ų19160.7 Ų60.789%0.89331%0.314SS*.SBendtrans-69.9-42.2169.1-65.9179.3175.900111
301M92.8Very high96.1Very high33 Ų3365.6 Ų65.616%0.16334%0.335CS..SBendtrans-71.7128.8178.3-179.2176.258.900111.6I268 E305 A306 L342I268-M301 HydrophobicContact CB-CE 3.94Å; I268-M301 HydrophobicContact CD1-CE 3.86Å; I268-M301 HydrophobicContact CG2-CE 3.6Å; M301-E305 WeakPolarHBondContact CA-OE2 3.4Å; M301-E305 HydrophobicContact CG-CB 3.99Å; M301-A306 HydrophobicContact CE-CB 4.1Å; M301-A306 HydrophobicContact CG-CB 4.43Å; M301-A306 HydrophobicContact SD-CB 3.96Å; M301-L342 HydrophobicContact CE-CB 4.44Å
302H94.2Very high96.2Very high71 Ų7161.6 Ų61.633%0.32933%0.326SS..  trans-84.4163.7173.3-65.2-62.8000112.6G288 D304 E305 A306G288-H302 PolarHBondContact O-ND1 3.24Å; H302-D304 VanDerWaalsContact C-N 3.32Å; H302-D304 WeakPolarHBondContact CB-OD1 3.32Å; H302-D304 PolarHBondContact O-N 3.08Å; H302-E305 HydrophobicContact CB-CG 4.38Å; H302-E305 IonicContact CD2-OE2 3.93Å; H302-E305 IonicContact CG-OE2 2.95Å; H302-E305 PolarHBondContact N-OE2 3.44Å; H302-E305 PolarHBondContact O-N 3.48Å; H302-A306 PolarHBondContact O-N 2.95Å
303A96Very high96.2Very high1 Ų161.7 Ų61.71%0.00833%0.326CS..Hα-helixtrans-64.1-35.9-176.200000112.8I279 L285 K286 L290 A306 V307I279-A303 HydrophobicContact CB-CB 4Å; L285-A303 HydrophobicContact CD1-CB 3.62Å; L285-A303 HydrophobicContact CD2-CB 4.22Å; L285-A303 HydrophobicContact CG-CB 3.67Å; K286-A303 VanDerWaalsContact O-CB 3.27Å; K286-A303 WeakPolarHBondContact O-CB 3.35Å; L290-A303 HydrophobicContact CD1-CB 4.28Å; L290-A303 HydrophobicContact CD2-CB 4.35Å; A303-A306 PolarHBondContact O-N 2.97Å; A303-V307 WeakPolarHBondContact O-CG2 3.03Å; A303-V307 PolarHBondContact O-N 3.41Å
304D96.6Very high96.3Very high99 Ų9958.4 Ų58.453%0.52930%0.3SS..Hα-helixtrans-70.7-37.8177.457.8-39.2000112.4L285 H302 V307 Q308L285-D304 HydrophobicContact CD2-CB 3.93Å; H302-D304 VanDerWaalsContact C-N 3.32Å; H302-D304 WeakPolarHBondContact CB-OD1 3.32Å; H302-D304 PolarHBondContact O-N 3.08Å; D304-V307 PolarHBondContact O-N 2.64Å; D304-Q308 PolarHBondContact O-N 3.02Å
305E96.7Very high96.4Very high97 Ų9755.9 Ų55.945%0.45329%0.292SS..Hα-helixtrans-62.9-42.6171.7-63.1177.8121.900111.3M301 H302 V307 Q308 L309M301-E305 WeakPolarHBondContact CA-OE2 3.4Å; M301-E305 HydrophobicContact CG-CB 3.99Å; H302-E305 HydrophobicContact CB-CG 4.38Å; H302-E305 IonicContact CD2-OE2 3.93Å; H302-E305 IonicContact CG-OE2 2.95Å; H302-E305 PolarHBondContact N-OE2 3.44Å; H302-E305 PolarHBondContact O-N 3.48Å; E305-V307 VanDerWaalsContact C-N 3.32Å; E305-V307 PolarHBondContact O-N 3.37Å; E305-Q308 PolarHBondContact O-N 3.2Å; E305-L309 PolarHBondContact O-N 3.42Å
306A97.1Very high96.4Very high0 Ų060 Ų600%030%0.3CS..Hα-helixtrans-61.8-40.1174.400000112I268 I279 M301 H302 A303 M310I268-A306 HydrophobicContact CG2-CB 3.72Å; I279-A306 HydrophobicContact CD1-CB 4.17Å; I279-A306 HydrophobicContact CG2-CB 4.37Å; M301-A306 HydrophobicContact CE-CB 4.1Å; M301-A306 HydrophobicContact CG-CB 4.43Å; M301-A306 HydrophobicContact SD-CB 3.96Å; H302-A306 PolarHBondContact O-N 2.95Å; A303-A306 PolarHBondContact O-N 2.97Å; A306-M310 VanDerWaalsContact O-CE 3.31Å; A306-M310 WeakPolarHBondContact O-CE 3.38Å; A306-M310 WeakPolarHBondContact O-CG 3.34Å; A306-M310 PolarHBondContact O-N 3.06Å
307V97.2Very high96.4Very high22 Ų2259.4 Ų59.413%0.13329%0.287CS..Hα-helixtrans-64.5-42.1174.3170.30000111.5I279 Y280 L285 A303 D304 E305 M310 K311I279-V307 HydrophobicContact CD1-CG2 3.85Å; Y280-V307 HydrophobicContact CE2-CG2 4.31Å; Y280-V307 VanDerWaalsContact OH-CG2 3.25Å; Y280-V307 WeakPolarHBondContact OH-CG2 3.27Å; L285-V307 HydrophobicContact CD1-CG2 3.74Å; A303-V307 WeakPolarHBondContact O-CG2 3.03Å; A303-V307 PolarHBondContact O-N 3.41Å; D304-V307 PolarHBondContact O-N 2.64Å; E305-V307 VanDerWaalsContact C-N 3.32Å; E305-V307 PolarHBondContact O-N 3.37Å; V307-M310 HydrophobicContact CG2-CE 4.29Å; V307-M310 PolarHBondContact O-N 2.94Å; V307-K311 HydrophobicContact CG1-CD 4.36Å; V307-K311 WeakPolarHBondContact O-CG 3.35Å; V307-K311 PolarHBondContact O-N 3.24Å
308Q97.7Very high96.4Very high94 Ų9466.6 Ų66.644%0.43932%0.319SS..Hα-helixtrans-64.4-45.2178.2-171.157.44700111.1D304 E305 M310 K311 D312D304-Q308 PolarHBondContact O-N 3.02Å; E305-Q308 PolarHBondContact O-N 3.2Å; Q308-M310 VanDerWaalsContact C-N 3.32Å; Q308-M310 PolarHBondContact O-N 2.88Å; Q308-K311 PolarHBondContact O-N 2.74Å; Q308-K311 VanDerWaalsContact O-N 3.17Å; Q308-D312 PolarHBondContact NE2-OD1 3.34Å; Q308-D312 PolarHBondContact O-N 3.3Å
309L97.5Very high96.4Very high37 Ų3767.6 Ų67.619%0.19433%0.328CS..Hα-helixtrans-53-50.2172.4172.563.3000111E305 K311 D312 L313 L342 L343E305-L309 PolarHBondContact O-N 3.42Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 3.45Å; L309-D312 PolarHBondContact O-N 3.27Å; L309-L313 HydrophobicContact CD1-CD1 4.4Å; L309-L313 HydrophobicContact CD1-CD2 4.41Å; L309-L313 HydrophobicContact CD1-CG 4.18Å; L309-L313 HydrophobicContact CG-CD1 4.31Å; L309-L313 HydrophobicContact CG-CG 4.48Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.33Å; L309-L313 PolarHBondContact O-N 2.75Å; L309-L342 HydrophobicContact CD2-CB 4.39Å; L309-L342 HydrophobicContact CD2-CD1 3.82Å; L309-L343 HydrophobicContact CD2-CD2 4.19Å
310M97.9Very high96.5Very high3 Ų367.1 Ų67.12%0.01533%0.329CS..Hα-helixtrans-61-38.6-179.5-76.2-175.1-72.800112.9T266 I279 A306 V307 Q308 L313 D314 L343 N347 Y349T266-M310 HydrophobicContact CG2-SD 4.44Å; I279-M310 HydrophobicContact CD1-CE 3.43Å; I279-M310 VanDerWaalsContact CD1-CE 3.43Å; A306-M310 VanDerWaalsContact O-CE 3.31Å; A306-M310 WeakPolarHBondContact O-CE 3.38Å; A306-M310 WeakPolarHBondContact O-CG 3.34Å; A306-M310 PolarHBondContact O-N 3.06Å; V307-M310 HydrophobicContact CG2-CE 4.29Å; V307-M310 PolarHBondContact O-N 2.94Å; Q308-M310 VanDerWaalsContact C-N 3.32Å; Q308-M310 PolarHBondContact O-N 2.88Å; M310-L313 PolarHBondContact O-N 3.38Å; M310-D314 PolarHBondContact O-N 3.13Å; M310-L343 HydrophobicContact CG-CD1 4.4Å; M310-L343 HydrophobicContact CG-CD2 4.38Å; M310-N347 PolarHBondContact SD-ND2 3.45Å; M310-N347 VanDerWaalsContact SD-ND2 3.4Å; M310-Y349 HydrophobicContact CB-CD1 3.72Å; M310-Y349 HydrophobicContact CB-CD2 3.76Å; M310-Y349 HydrophobicContact CB-CE1 3.75Å; M310-Y349 HydrophobicContact CB-CE2 3.84Å; M310-Y349 HydrophobicContact CB-CG 3.71Å; M310-Y349 HydrophobicContact CG-CD1 4.27Å; M310-Y349 HydrophobicContact CG-CD2 3.55Å; M310-Y349 HydrophobicContact CG-CE2 3.98Å; M310-Y349 HydrophobicContact CG-CG 3.72Å; M310-Y349 WeakPolarHBondContact O-CD1 3.38Å; M310-Y349 WeakPolarHBondContact O-CE1 3.22Å; M310-Y349 HydrophobicContact SD-CD2 3.28Å; M310-Y349 WeakPolarHBondContact SD-CD2 3.17Å; M310-Y349 HydrophobicContact SD-CE2 3.45Å; M310-Y349 WeakPolarHBondContact SD-CE2 3.34Å; M310-Y349 HydrophobicContact SD-CG 4.09Å
311K97.4Very high96.7Very high109 Ų10962.5 Ų62.547%0.47431%0.31SS..Hα-helixtrans-65.1-46.7173.4-70.9174179.7177.20111.8V307 Q308 L309 L313 D314 D315V307-K311 HydrophobicContact CG1-CD 4.36Å; V307-K311 WeakPolarHBondContact O-CG 3.35Å; V307-K311 PolarHBondContact O-N 3.24Å; Q308-K311 PolarHBondContact O-N 2.74Å; Q308-K311 VanDerWaalsContact O-N 3.17Å; L309-K311 VanDerWaalsContact C-N 3.32Å; L309-K311 PolarHBondContact O-N 3.45Å; K311-L313 PolarHBondContact O-N 3.49Å; K311-D314 PolarHBondContact O-N 2.88Å; K311-D314 VanDerWaalsContact O-N 3.17Å; K311-D315 PolarHBondContact O-N 3.49Å
312D98Very high96.7Very high73 Ų7364 Ų6439%0.3932%0.316SS..Hα-helixtrans-60.7-35.9179.3-64.3-16.4000111.4Q308 L309 R316Q308-D312 PolarHBondContact NE2-OD1 3.34Å; Q308-D312 PolarHBondContact O-N 3.3Å; L309-D312 PolarHBondContact O-N 3.27Å; D312-R316 WeakPolarHBondContact O-CB 3.5Å; D312-R316 WeakPolarHBondContact O-CG 3.36Å; D312-R316 PolarHBondContact O-N 3.06Å
313L98.1Very high96.8Very high4 Ų469.9 Ų69.92%0.02134%0.34CS..Hα-helixtrans-64.3-47.9174.6-69.2178.6000112.3L309 M310 K311 R316 I317 L335 L343 L353L309-L313 HydrophobicContact CD1-CD1 4.4Å; L309-L313 HydrophobicContact CD1-CD2 4.41Å; L309-L313 HydrophobicContact CD1-CG 4.18Å; L309-L313 HydrophobicContact CG-CD1 4.31Å; L309-L313 HydrophobicContact CG-CG 4.48Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.33Å; L309-L313 PolarHBondContact O-N 2.75Å; M310-L313 PolarHBondContact O-N 3.38Å; K311-L313 PolarHBondContact O-N 3.49Å; L313-R316 PolarHBondContact O-N 3.22Å; L313-I317 WeakPolarHBondContact O-CG1 3.16Å; L313-I317 PolarHBondContact O-N 3.16Å; L313-L335 HydrophobicContact CD2-CB 4.26Å; L313-L335 HydrophobicContact CD2-CD1 4.44Å; L313-L335 HydrophobicContact CD2-CD2 4.07Å; L313-L335 HydrophobicContact CD2-CG 4.49Å; L313-L343 HydrophobicContact CD1-CD1 3.84Å; L313-L353 HydrophobicContact CD1-CD1 3.92Å; L313-L353 HydrophobicContact CD2-CD1 3.93Å; L313-L353 HydrophobicContact CD2-CD2 4.34Å; L313-L353 HydrophobicContact CG-CD1 4.4Å
314D96.5Very high96.8Very high30 Ų3072.6 Ų72.616%0.1636%0.355CS..Hα-helixtrans-61.2-45.8176.8-91.8-7.1000110.3Q239 M310 K311 R316 I317 E318 Y349 R352Q239-D314 PolarHBondContact NE2-OD2 3.16Å; M310-D314 PolarHBondContact O-N 3.13Å; K311-D314 PolarHBondContact O-N 2.88Å; K311-D314 VanDerWaalsContact O-N 3.17Å; D314-R316 VanDerWaalsContact C-N 3.32Å; D314-R316 PolarHBondContact O-N 3.26Å; D314-I317 PolarHBondContact O-N 3.06Å; D314-I317 VanDerWaalsContact O-N 3.13Å; D314-E318 PolarHBondContact O-N 3.21Å; D314-Y349 HydrophobicContact CB-CD1 4.45Å; D314-Y349 HydrophobicContact CB-CE1 4.46Å; D314-Y349 WeakPolarHBondContact OD1-CD1 3.49Å; D314-Y349 WeakPolarHBondContact OD2-CD1 3.43Å; D314-Y349 WeakPolarHBondContact OD2-CE1 3.48Å; D314-R352 VanDerWaalsContact CG-NH1 3.28Å; D314-R352 IonicContact OD1-NH1 2.67Å; D314-R352 PolarHBondContact OD1-NH1 3.41Å; D314-R352 IonicContact OD2-NH1 3.71Å; D314-R352 PolarHBondContact OD2-NH1 2.92Å
315D97.6Very high96.8Very high89 Ų8970.5 Ų70.548%0.47635%0.346SS..Hα-helixtrans-60.6-39.8178-72.4-9.4000111.9K311 E318 T319K311-D315 PolarHBondContact O-N 3.49Å; D315-E318 PolarHBondContact O-N 2.86Å; D315-T319 WeakPolarHBondContact O-CB 3.46Å; D315-T319 WeakPolarHBondContact O-CG2 3.49Å; D315-T319 PolarHBondContact O-N 3.1Å; D315-T319 PolarHBondContact O-OG1 2.9Å
316R97.4Very high96.7Very high138 Ų13873.3 Ų73.352%0.52136%0.356SS..Hα-helixtrans-65.5-39.6175.1-75.7-76.7-171.9-95.3-3.4112.1D312 L313 D314 T319 S320 L335D312-R316 WeakPolarHBondContact O-CB 3.5Å; D312-R316 WeakPolarHBondContact O-CG 3.36Å; D312-R316 PolarHBondContact O-N 3.06Å; L313-R316 PolarHBondContact O-N 3.22Å; D314-R316 VanDerWaalsContact C-N 3.32Å; D314-R316 PolarHBondContact O-N 3.26Å; R316-T319 PolarHBondContact O-OG1 2.92Å; R316-S320 PolarHBondContact O-N 3.02Å; R316-S320 PolarHBondContact O-OG 3.05Å; R316-L335 HydrophobicContact CB-CD1 3.96Å; R316-L335 HydrophobicContact CG-CD1 4.38Å
317I97Very high96.7Very high27 Ų2777.7 Ų77.714%0.13838%0.38CS..Hα-helixtrans-66.7-46175.9-67.7168000110.2L313 D314 T319 S320 F322 L332 R352 L353 A356L313-I317 WeakPolarHBondContact O-CG1 3.16Å; L313-I317 PolarHBondContact O-N 3.16Å; D314-I317 PolarHBondContact O-N 3.06Å; D314-I317 VanDerWaalsContact O-N 3.13Å; I317-T319 VanDerWaalsContact C-N 3.31Å; I317-T319 PolarHBondContact O-N 3Å; I317-S320 WeakPolarHBondContact O-CB 3.26Å; I317-S320 PolarHBondContact O-N 2.98Å; I317-F322 HydrophobicContact CG2-CZ 4.42Å; I317-L332 HydrophobicContact CG1-CD2 4.37Å; I317-R352 HydrophobicContact CD1-CB 4.1Å; I317-L353 HydrophobicContact CD1-CD2 3.82Å; I317-L353 HydrophobicContact CD1-CG 4.14Å; I317-L353 HydrophobicContact CG1-CD2 3.95Å; I317-A356 HydrophobicContact CG1-CB 4.33Å; I317-A356 HydrophobicContact CG2-CB 4.11Å
318E95.6Very high96.8Very high165 Ų16577 Ų7777%0.77138%0.376SS*.Hα-helixtrans-64.4-37-177.7-173172.3178.200112D314 D315 S320D314-E318 PolarHBondContact O-N 3.21Å; D315-E318 PolarHBondContact O-N 2.86Å; E318-S320 VanDerWaalsContact C-N 3.33Å
319T96.5Very high96.8Very high108 Ų10874.5 Ų74.566%0.66336%0.364SS*.THydrogen-bonded Turntrans-84.5-3.3179.754.50000114.1D315 R316 I317D315-T319 WeakPolarHBondContact O-CB 3.46Å; D315-T319 WeakPolarHBondContact O-CG2 3.49Å; D315-T319 PolarHBondContact O-N 3.1Å; D315-T319 PolarHBondContact O-OG1 2.9Å; R316-T319 PolarHBondContact O-OG1 2.92Å; I317-T319 VanDerWaalsContact C-N 3.31Å; I317-T319 PolarHBondContact O-N 3Å
320S96.6Very high96.8Very high19 Ų1977.4 Ų77.413%0.13338%0.379CS..  trans-71.5136.1-177.3-75.40000113.3R316 I317 E318 F322R316-S320 PolarHBondContact O-N 3.02Å; R316-S320 PolarHBondContact O-OG 3.05Å; I317-S320 WeakPolarHBondContact O-CB 3.26Å; I317-S320 PolarHBondContact O-N 2.98Å; E318-S320 VanDerWaalsContact C-N 3.33Å; S320-F322 WeakPolarHBondContact O-CD2 3.32Å; S320-F322 PolarHBondContact O-N 3.28Å
321N95.4Very high96.8Very high93 Ų9380.2 Ų80.250%0.49739%0.393SS..  trans-8785.1175.5-178.915.8000111.7K323 D324 T328N321-K323 PolarHBondContact O-N 3Å; N321-K323 WeakPolarHBondContact OD1-CB 3.38Å; N321-K323 PolarHBondContact OD1-N 3.47Å; N321-D324 PolarHBondContact O-N 3.12Å; N321-T328 PolarHBondContact O-OG1 3.33Å
322F94.8Very high96.8Very high64 Ų6475 Ų7528%0.28137%0.371SS..THydrogen-bonded Turntrans-60.4-7.8178.3-70.3-85.1000115.4I317 S320 T328 A356 R359 C360I317-F322 HydrophobicContact CG2-CZ 4.42Å; S320-F322 WeakPolarHBondContact O-CD2 3.32Å; S320-F322 PolarHBondContact O-N 3.28Å; F322-T328 HydrophobicContact CD1-CG2 4.37Å; F322-T328 HydrophobicContact CE1-CG2 4.31Å; F322-A356 HydrophobicContact CE1-CB 4.16Å; F322-A356 HydrophobicContact CZ-CB 4.01Å; F322-R359 HydrophobicContact CD1-CB 4.14Å; F322-R359 HydrophobicContact CE1-CB 4.24Å; F322-C360 WeakPolarHBondContact CD1-SG 3.42Å
323K94.7Very high96.8Very high195 Ų19574.9 Ų74.985%0.84837%0.368SS*.THydrogen-bonded Turntrans-77.3-27.3169.5-60.7-179.9178.4175.80112.5N321 T325N321-K323 PolarHBondContact O-N 3Å; N321-K323 WeakPolarHBondContact OD1-CB 3.38Å; N321-K323 PolarHBondContact OD1-N 3.47Å; K323-T325 PolarHBondContact O-N 3.28Å
324D96Very high96.8Very high59 Ų5981 Ų8132%0.31640%0.397SS..SBendtrans-94.476.5170.6-174.3-7.5000108.9N321 K326 N327 T328N321-D324 PolarHBondContact O-N 3.12Å; D324-K326 VanDerWaalsContact C-N 3.31Å; D324-K326 PolarHBondContact O-N 2.9Å; D324-N327 PolarHBondContact OD1-N 3.18Å; D324-N327 PolarHBondContact OD1-ND2 2.89Å; D324-N327 PolarHBondContact OD2-ND2 3.07Å; D324-T328 WeakPolarHBondContact O-CB 3.49Å; D324-T328 PolarHBondContact O-N 3.23Å; D324-T328 VanDerWaalsContact O-N 3.08Å; D324-T328 PolarHBondContact O-OG1 3.09Å
325T96.3Very high96.8Very high55 Ų5581.1 Ų81.134%0.33740%0.397SS..Hα-helixtrans-60.8-39.6-172.6530000112.1K323 F329K323-T325 PolarHBondContact O-N 3.28Å; T325-F329 WeakPolarHBondContact O-CB 3.42Å; T325-F329 PolarHBondContact O-N 3.43Å
326K96.3Very high96.9Very high155 Ų15577.3 Ų77.367%0.67438%0.376SS*.Hα-helixtrans-65.6-52.7-176.9-176.3-179.2177.4-177.50112.3D324 F329 L330D324-K326 VanDerWaalsContact C-N 3.31Å; D324-K326 PolarHBondContact O-N 2.9Å; K326-F329 PolarHBondContact O-N 3.43Å; K326-L330 WeakPolarHBondContact O-CG 3.27Å; K326-L330 PolarHBondContact O-N 2.88Å
327N97Very high96.8Very high93 Ų9374.1 Ų74.150%0.49738%0.379SS..Hα-helixtrans-69.9-37.1-178.4-69.5-32.5000111.3D324 F329 L330 L331D324-N327 PolarHBondContact OD1-N 3.18Å; D324-N327 PolarHBondContact OD1-ND2 2.89Å; D324-N327 PolarHBondContact OD2-ND2 3.07Å; N327-F329 PolarHBondContact O-N 2.91Å; N327-L330 PolarHBondContact O-N 3.33Å; N327-L331 PolarHBondContact O-N 2.75Å
328T97.8Very high96.8Very high8 Ų876.4 Ų76.45%0.04940%0.395CS..Hα-helixtrans-64.4-39.6175.5-55.30000111.7N321 F322 D324 L331 L332 C360N321-T328 PolarHBondContact O-OG1 3.33Å; F322-T328 HydrophobicContact CD1-CG2 4.37Å; F322-T328 HydrophobicContact CE1-CG2 4.31Å; D324-T328 WeakPolarHBondContact O-CB 3.49Å; D324-T328 PolarHBondContact O-N 3.23Å; D324-T328 VanDerWaalsContact O-N 3.08Å; D324-T328 PolarHBondContact O-OG1 3.09Å; T328-L331 PolarHBondContact O-N 3.29Å; T328-L332 HydrophobicContact CG2-CD1 3.82Å; T328-L332 HydrophobicContact CG2-CG 4.35Å; T328-L332 WeakPolarHBondContact O-CB 3.33Å; T328-L332 WeakPolarHBondContact O-CG 3.37Å; T328-L332 PolarHBondContact O-N 2.93Å; T328-C360 VanDerWaalsContact CG2-SG 3.57Å
329F98.2Very high96.8Very high41 Ų4168.6 Ų68.618%0.1836%0.358CS..Hα-helixtrans-59.6-47.6174.5179.3-88.4000112T325 K326 N327 L331 L332 E333 R357 C360 T361T325-F329 WeakPolarHBondContact O-CB 3.42Å; T325-F329 PolarHBondContact O-N 3.43Å; K326-F329 PolarHBondContact O-N 3.43Å; N327-F329 PolarHBondContact O-N 2.91Å; F329-L331 PolarHBondContact O-N 3.45Å; F329-L332 PolarHBondContact O-N 3.36Å; F329-E333 HydrophobicContact CD1-CG 4.08Å; F329-E333 HydrophobicContact CE1-CG 3.59Å; F329-E333 HydrophobicContact CE2-CG 4.43Å; F329-E333 HydrophobicContact CZ-CG 3.78Å; F329-E333 WeakPolarHBondContact O-CG 3.48Å; F329-E333 PolarHBondContact O-N 2.88Å; F329-R357 HydrophobicContact CD2-CG 3.83Å; F329-R357 HydrophobicContact CE2-CG 3.79Å; F329-C360 HydrophobicContact CB-CB 4.05Å; F329-T361 HydrophobicContact CE2-CG2 4.37Å; F329-T361 WeakPolarHBondContact CE2-OG1 3.47Å
330L97.7Very high96.8Very high98 Ų9865.1 Ų65.151%0.51334%0.339SS..Hα-helixtrans-62.5-43.5179.7-68.2174.2000112.4K326 N327 L332 E333 E334K326-L330 WeakPolarHBondContact O-CG 3.27Å; K326-L330 PolarHBondContact O-N 2.88Å; N327-L330 PolarHBondContact O-N 3.33Å; L330-L332 PolarHBondContact O-N 3.01Å; L330-E333 PolarHBondContact O-N 3.2Å; L330-E334 PolarHBondContact O-N 3.09Å
331L97.5Very high96.7Very high61 Ų6167.2 Ų67.232%0.31935%0.353SS..Hα-helixtrans-58.3-47.7174.3172.364.6000111.3N327 T328 F329 E333 E334 L335N327-L331 PolarHBondContact O-N 2.75Å; T328-L331 PolarHBondContact O-N 3.29Å; F329-L331 PolarHBondContact O-N 3.45Å; L331-E333 VanDerWaalsContact C-N 3.33Å; L331-E333 PolarHBondContact O-N 2.93Å; L331-E334 PolarHBondContact O-N 3.36Å; L331-L335 HydrophobicContact CD1-CD1 4.3Å; L331-L335 HydrophobicContact CD1-CG 4.37Å; L331-L335 HydrophobicContact CG-CD1 4.24Å; L331-L335 WeakPolarHBondContact O-CG 3.44Å; L331-L335 PolarHBondContact O-N 3.23Å; L331-L335 VanDerWaalsContact O-N 3.07Å
332L98.2Very high96.8Very high0 Ų065.5 Ų65.50%034%0.344CS..Hα-helixtrans-66.5-35.3-178-69.9169.1000112.1I317 T328 F329 L330 L335 I336 L353 A356 R357I317-L332 HydrophobicContact CG1-CD2 4.37Å; T328-L332 HydrophobicContact CG2-CD1 3.82Å; T328-L332 HydrophobicContact CG2-CG 4.35Å; T328-L332 WeakPolarHBondContact O-CB 3.33Å; T328-L332 WeakPolarHBondContact O-CG 3.37Å; T328-L332 PolarHBondContact O-N 2.93Å; F329-L332 PolarHBondContact O-N 3.36Å; L330-L332 PolarHBondContact O-N 3.01Å; L332-L335 PolarHBondContact O-N 3.01Å; L332-I336 VanDerWaalsContact O-CB 3.32Å; L332-I336 WeakPolarHBondContact O-CB 3.33Å; L332-I336 WeakPolarHBondContact O-CD1 3.36Å; L332-I336 WeakPolarHBondContact O-CG1 3.3Å; L332-I336 PolarHBondContact O-N 3.4Å; L332-L353 HydrophobicContact CD2-CD2 3.93Å; L332-A356 HydrophobicContact CD1-CB 3.92Å; L332-A356 HydrophobicContact CD2-CB 4.06Å; L332-R357 HydrophobicContact CB-CB 4.11Å; L332-R357 HydrophobicContact CB-CG 4.24Å; L332-R357 HydrophobicContact CD1-CB 4.23Å
333E97.7Very high96.9Very high71 Ų7162.5 Ų62.533%0.33233%0.331SS..Hα-helixtrans-63-41.7173.7-76.6-76.1102.900112.1F329 L330 L331 I336 A337 R357F329-E333 HydrophobicContact CD1-CG 4.08Å; F329-E333 HydrophobicContact CE1-CG 3.59Å; F329-E333 HydrophobicContact CE2-CG 4.43Å; F329-E333 HydrophobicContact CZ-CG 3.78Å; F329-E333 WeakPolarHBondContact O-CG 3.48Å; F329-E333 PolarHBondContact O-N 2.88Å; L330-E333 PolarHBondContact O-N 3.2Å; L331-E333 VanDerWaalsContact C-N 3.33Å; L331-E333 PolarHBondContact O-N 2.93Å; E333-I336 PolarHBondContact O-N 3.41Å; E333-A337 WeakPolarHBondContact O-CB 3.48Å; E333-A337 PolarHBondContact O-N 3.05Å; E333-R357 WeakPolarHBondContact OE1-CD 3.46Å; E333-R357 IonicContact OE1-CZ 3.07Å; E333-R357 IonicContact OE1-NE 3.82Å; E333-R357 IonicContact OE1-NH1 2.8Å; E333-R357 PolarHBondContact OE1-NH1 2.86Å
334E97.4Very high97Very high133 Ų13353.3 Ų53.362%0.62129%0.291SS*.Hα-helixtrans-62.8-44.8175.5-175-178.417700111.7L330 L331 A337 T338L330-E334 PolarHBondContact O-N 3.09Å; L331-E334 PolarHBondContact O-N 3.36Å; E334-A337 PolarHBondContact O-N 3.42Å; E334-T338 PolarHBondContact O-N 3.35Å; E334-T338 VanDerWaalsContact O-N 3.14Å; E334-T338 PolarHBondContact O-OG1 3.13Å; E334-T338 VanDerWaalsContact O-OG1 3.12Å
335L98.1Very high97.1Very high31 Ų3154 Ų5416%0.16230%0.297CS..Hα-helixtrans-63.8-41.4176.4-66.7178.2000111.6L313 R316 L331 L332 S339 L353L313-L335 HydrophobicContact CD2-CB 4.26Å; L313-L335 HydrophobicContact CD2-CD1 4.44Å; L313-L335 HydrophobicContact CD2-CD2 4.07Å; L313-L335 HydrophobicContact CD2-CG 4.49Å; R316-L335 HydrophobicContact CB-CD1 3.96Å; R316-L335 HydrophobicContact CG-CD1 4.38Å; L331-L335 HydrophobicContact CD1-CD1 4.3Å; L331-L335 HydrophobicContact CD1-CG 4.37Å; L331-L335 HydrophobicContact CG-CD1 4.24Å; L331-L335 WeakPolarHBondContact O-CG 3.44Å; L331-L335 PolarHBondContact O-N 3.23Å; L331-L335 VanDerWaalsContact O-N 3.07Å; L332-L335 PolarHBondContact O-N 3.01Å; L335-S339 WeakPolarHBondContact O-CB 3.43Å; L335-S339 PolarHBondContact O-N 2.95Å; L335-S339 PolarHBondContact O-OG 3.29Å; L335-L353 HydrophobicContact CB-CD1 4.37Å; L335-L353 HydrophobicContact CB-CD2 4.01Å; L335-L353 HydrophobicContact CD1-CD2 4.12Å
336I98.3Very high97.2Very high9 Ų953.3 Ų53.35%0.04629%0.29CS..Hα-helixtrans-65.3-43.8177.1-75.6165.5000110.9L332 E333 T338 S339 S340 L353 Y354 R357L332-I336 VanDerWaalsContact O-CB 3.32Å; L332-I336 WeakPolarHBondContact O-CB 3.33Å; L332-I336 WeakPolarHBondContact O-CD1 3.36Å; L332-I336 WeakPolarHBondContact O-CG1 3.3Å; L332-I336 PolarHBondContact O-N 3.4Å; E333-I336 PolarHBondContact O-N 3.41Å; I336-T338 VanDerWaalsContact C-N 3.32Å; I336-T338 PolarHBondContact O-N 3.39Å; I336-S339 PolarHBondContact O-N 2.92Å; I336-S340 WeakPolarHBondContact O-CB 3.46Å; I336-S340 PolarHBondContact O-N 2.98Å; I336-S340 PolarHBondContact O-OG 3.05Å; I336-L353 HydrophobicContact CD1-CB 4.36Å; I336-L353 HydrophobicContact CG1-CB 3.81Å; I336-L353 HydrophobicContact CG1-CD1 4.33Å; I336-Y354 HydrophobicContact CD1-CD1 3.97Å; I336-Y354 HydrophobicContact CD1-CE1 4.18Å; I336-Y354 HydrophobicContact CD1-CG 4.45Å; I336-Y354 HydrophobicContact CG2-CD1 4.5Å; I336-Y354 HydrophobicContact CG2-CE1 3.67Å; I336-Y354 HydrophobicContact CG2-CE2 4.43Å; I336-Y354 WeakPolarHBondContact CG2-OH 3.31Å; I336-R357 HydrophobicContact CD1-CB 3.85Å; I336-R357 HydrophobicContact CD1-CG 4.21Å
337A96.8Very high97.3Very high71 Ų7146 Ų4659%0.58726%0.258SS*.Hα-helixtrans-59.2-45.8179.600000111.1E333 E334E333-A337 WeakPolarHBondContact O-CB 3.48Å; E333-A337 PolarHBondContact O-N 3.05Å; E334-A337 PolarHBondContact O-N 3.42Å
338T95Very high97.3Very high75 Ų7541.5 Ų41.546%0.4623%0.234SC..Hα-helixtrans-67.8-51.2177.4-55.10000110.9E334 I336 S340 S341 L342E334-T338 PolarHBondContact O-N 3.35Å; E334-T338 VanDerWaalsContact O-N 3.14Å; E334-T338 PolarHBondContact O-OG1 3.13Å; E334-T338 VanDerWaalsContact O-OG1 3.12Å; I336-T338 VanDerWaalsContact C-N 3.32Å; I336-T338 PolarHBondContact O-N 3.39Å; T338-S340 PolarHBondContact O-N 2.7Å; T338-S341 PolarHBondContact O-N 3.14Å; T338-S341 PolarHBondContact O-OG 2.93Å; T338-L342 HydrophobicContact CG2-CD1 4.31Å
339S97.3Very high97.4Very high1 Ų142.1 Ų42.11%0.00724%0.236CC..Hα-helixtrans-69.5-33.6-172.5-55.80000113.5L335 I336 S341 L342 L343L335-S339 WeakPolarHBondContact O-CB 3.43Å; L335-S339 PolarHBondContact O-N 2.95Å; L335-S339 PolarHBondContact O-OG 3.29Å; I336-S339 PolarHBondContact O-N 2.92Å; S339-S341 PolarHBondContact O-N 3.06Å; S339-L342 PolarHBondContact O-N 3.35Å; S339-L343 WeakPolarHBondContact O-CB 3.26Å; S339-L343 PolarHBondContact O-N 3.45Å
340S96.1Very high97.4Very high36 Ų3640.5 Ų40.525%0.25223%0.229SC..Hα-helixtrans-65.9-21.4-180-62.20000113.1I336 T338 Y354I336-S340 WeakPolarHBondContact O-CB 3.46Å; I336-S340 PolarHBondContact O-N 2.98Å; I336-S340 PolarHBondContact O-OG 3.05Å; T338-S340 PolarHBondContact O-N 2.7Å; S340-Y354 PolarHBondContact OG-OH 3.28Å
341S94.3Very high97.4Very high62 Ų6236 Ų3643%0.43421%0.206SC..Hα-helixtrans-81.3-26.6174.474.30000112.8T338 S339T338-S341 PolarHBondContact O-N 3.14Å; T338-S341 PolarHBondContact O-OG 2.93Å; S339-S341 PolarHBondContact O-N 3.06Å
342L96.5Very high97.4Very high58 Ų5835.5 Ų35.530%0.30420%0.2SC..Hα-helixtrans-103.3-34.5-171.6-62.4176.1000113.7I268 R269 M301 L309 T338 S339I268-L342 CarbonylContact C-O 3.6Å; I268-L342 WeakPolarHBondContact CA-O 3.48Å; I268-L342 WeakPolarHBondContact CB-O 3.46Å; R269-L342 PolarHBondContact N-O 3.27Å; M301-L342 HydrophobicContact CE-CB 4.44Å; L309-L342 HydrophobicContact CD2-CB 4.39Å; L309-L342 HydrophobicContact CD2-CD1 3.82Å; T338-L342 HydrophobicContact CG2-CD1 4.31Å; S339-L342 PolarHBondContact O-N 3.35Å
343L97.8Very high97.4Very high1 Ų135.5 Ų35.51%0.00520%0.2CC..BIsolated β-bridgetrans-102.3143.3-172.7-57.5-175000111.4I268 R269 L309 M310 L313 S339 N347 L350I268-L343 HydrophobicContact CG2-CD2 4.3Å; R269-L343 WeakPolarHBondContact CB-O 3.38Å; L309-L343 HydrophobicContact CD2-CD2 4.19Å; M310-L343 HydrophobicContact CG-CD1 4.4Å; M310-L343 HydrophobicContact CG-CD2 4.38Å; L313-L343 HydrophobicContact CD1-CD1 3.84Å; S339-L343 WeakPolarHBondContact O-CB 3.26Å; S339-L343 PolarHBondContact O-N 3.45Å; L343-N347 HydrophobicContact CB-CB 4Å; L343-L350 HydrophobicContact CB-CB 4.35Å; L343-L350 HydrophobicContact CB-CD2 4.4Å; L343-L350 HydrophobicContact CD1-CB 4.32Å
344A97.5Very high97.5Very high1 Ų132.5 Ų32.51%0.00819%0.185CC..  trans-61.4155.7175.900000111.8A267 S276 E346 N347A267-A344 HydrophobicContact CB-CB 3.75Å; A267-A344 VanDerWaalsContact O-CB 3.3Å; A267-A344 WeakPolarHBondContact O-CB 3.46Å; A267-A344 PolarHBondContact O-N 2.9Å; S276-A344 WeakPolarHBondContact OG-CB 3.48Å; A344-E346 PolarHBondContact O-N 3.25Å; A344-N347 WeakPolarHBondContact O-CB 3.4Å; A344-N347 PolarHBondContact O-N 3.17Å
345V97.3Very high97.5Very high75 Ų7528.4 Ų28.446%0.45517%0.166SC..THydrogen-bonded Turntrans-66.1-23.5-179.2-60.80000112.9N347 P378V345-N347 VanDerWaalsContact C-N 3.34Å; V345-P378 HydrophobicContact CG2-CB 4.35Å; V345-P378 HydrophobicContact CG2-CG 4.49Å
346E97.8Very high97.5Very high40 Ų4027.1 Ų27.119%0.18716%0.16CC..THydrogen-bonded Turntrans-83.9-7.5174.5-57.686.4174.700113.8L264 L265 S276 A344 V348 P378 C379L264-E346 HydrophobicContact CB-CB 4.25Å; L265-E346 WeakPolarHBondContact CD2-O 3.44Å; S276-E346 PolarHBondContact OG-OE2 3.04Å; A344-E346 PolarHBondContact O-N 3.25Å; E346-V348 PolarHBondContact O-N 3.45Å; E346-P378 HydrophobicContact CG-CB 4.35Å; E346-C379 WeakPolarHBondContact O-CB 3.34Å; E346-C379 PolarHBondContact O-SG 3.4Å
347N98.3Very high97.5Very high0 Ų026.9 Ų26.90%016%0.158CC..  trans-63.6127.4-172.9-172.6-60000111L265 A267 M310 L343 A344 V345 Y349 L350 A351L265-N347 WeakPolarHBondContact O-CA 3.35Å; A267-N347 PolarHBondContact O-ND2 3.03Å; M310-N347 PolarHBondContact SD-ND2 3.45Å; M310-N347 VanDerWaalsContact SD-ND2 3.4Å; L343-N347 HydrophobicContact CB-CB 4Å; A344-N347 WeakPolarHBondContact O-CB 3.4Å; A344-N347 PolarHBondContact O-N 3.17Å; V345-N347 VanDerWaalsContact C-N 3.34Å; N347-Y349 VanDerWaalsContact C-N 3.33Å; N347-Y349 PolarHBondContact O-N 3.17Å; N347-Y349 WeakPolarHBondContact OD1-CB 3.37Å; N347-Y349 WeakPolarHBondContact OD1-CD2 3.19Å; N347-Y349 PolarHBondContact OD1-N 2.97Å; N347-L350 HydrophobicContact CB-CB 4.19Å; N347-L350 PolarHBondContact O-N 3.29Å; N347-L350 PolarHBondContact OD1-N 3.45Å; N347-A351 PolarHBondContact O-N 2.82Å
348V98.4Very high97.5Very high0 Ų025.1 Ų25.10%014%0.139CC..Hα-helixtrans-67.9-32.6-173.371.10000113.2L234 L265 E346 A351 R352 C379L234-V348 HydrophobicContact CD1-CG2 3.9Å; L234-V348 HydrophobicContact CG-CG2 3.86Å; L234-V348 WeakPolarHBondContact O-CG2 3.49Å; L265-V348 HydrophobicContact CB-CB 4.45Å; L265-V348 WeakPolarHBondContact O-CG1 3.3Å; L265-V348 PolarHBondContact O-N 3.28Å; E346-V348 PolarHBondContact O-N 3.45Å; V348-A351 PolarHBondContact O-N 3.27Å; V348-R352 VanDerWaalsContact O-CG 3.3Å; V348-R352 WeakPolarHBondContact O-CG 3.31Å; V348-R352 PolarHBondContact O-N 3.47Å; V348-C379 VanDerWaalsContact CA-SG 3.51Å
349Y98.4Very high97.6Very high20 Ų2030 Ų308%0.07815%0.149CC..Hα-helixtrans-70.2-38.9178.3-58.9-96.4000110.5Q239 T266 M310 D314 N347 R352 L353Q239-Y349 VanDerWaalsContact CD-OH 3.24Å; Q239-Y349 PolarHBondContact NE2-OH 3.24Å; T266-Y349 HydrophobicContact CG2-CE2 4.25Å; M310-Y349 HydrophobicContact CB-CD1 3.72Å; M310-Y349 HydrophobicContact CB-CD2 3.76Å; M310-Y349 HydrophobicContact CB-CE1 3.75Å; M310-Y349 HydrophobicContact CB-CE2 3.84Å; M310-Y349 HydrophobicContact CB-CG 3.71Å; M310-Y349 HydrophobicContact CG-CD1 4.27Å; M310-Y349 HydrophobicContact CG-CD2 3.55Å; M310-Y349 HydrophobicContact CG-CE2 3.98Å; M310-Y349 HydrophobicContact CG-CG 3.72Å; M310-Y349 WeakPolarHBondContact O-CD1 3.38Å; M310-Y349 WeakPolarHBondContact O-CE1 3.22Å; M310-Y349 HydrophobicContact SD-CD2 3.28Å; M310-Y349 WeakPolarHBondContact SD-CD2 3.17Å; M310-Y349 HydrophobicContact SD-CE2 3.45Å; M310-Y349 WeakPolarHBondContact SD-CE2 3.34Å; M310-Y349 HydrophobicContact SD-CG 4.09Å; D314-Y349 HydrophobicContact CB-CD1 4.45Å; D314-Y349 HydrophobicContact CB-CE1 4.46Å; D314-Y349 WeakPolarHBondContact OD1-CD1 3.49Å; D314-Y349 WeakPolarHBondContact OD2-CD1 3.43Å; D314-Y349 WeakPolarHBondContact OD2-CE1 3.48Å; N347-Y349 VanDerWaalsContact C-N 3.33Å; N347-Y349 PolarHBondContact O-N 3.17Å; N347-Y349 WeakPolarHBondContact OD1-CB 3.37Å; N347-Y349 WeakPolarHBondContact OD1-CD2 3.19Å; N347-Y349 PolarHBondContact OD1-N 2.97Å; Y349-R352 PolarHBondContact O-N 3.4Å; Y349-L353 PolarHBondContact O-N 2.94Å
350L98.4Very high97.5Very high8 Ų830.3 Ų30.34%0.04215%0.151CC..Hα-helixtrans-64.2-44.8172.9-176.560.3000111.5L343 N347 R352 L353 Y354L343-L350 HydrophobicContact CB-CB 4.35Å; L343-L350 HydrophobicContact CB-CD2 4.4Å; L343-L350 HydrophobicContact CD1-CB 4.32Å; N347-L350 HydrophobicContact CB-CB 4.19Å; N347-L350 PolarHBondContact O-N 3.29Å; N347-L350 PolarHBondContact OD1-N 3.45Å; L350-R352 VanDerWaalsContact C-N 3.32Å; L350-R352 PolarHBondContact O-N 3.47Å; L350-L353 HydrophobicContact CD1-CD1 4.44Å; L350-L353 WeakPolarHBondContact O-CB 3.29Å; L350-L353 PolarHBondContact O-N 3.33Å; L350-Y354 HydrophobicContact CD1-CD2 4.22Å; L350-Y354 HydrophobicContact CD1-CE2 3.64Å; L350-Y354 HydrophobicContact CD2-CE2 4.32Å; L350-Y354 HydrophobicContact CG-CD2 4.14Å; L350-Y354 HydrophobicContact CG-CE2 3.73Å; L350-Y354 WeakPolarHBondContact O-CD2 3.27Å; L350-Y354 PolarHBondContact O-N 2.79Å
351A98.4Very high97.6Very high2 Ų229.1 Ų29.12%0.01714%0.142CC..Hα-helixtrans-61.2-39.5176.500000112.6N347 V348 Y354 Q355 A376 C379N347-A351 PolarHBondContact O-N 2.82Å; V348-A351 PolarHBondContact O-N 3.27Å; A351-Y354 PolarHBondContact O-N 3.4Å; A351-Q355 WeakPolarHBondContact O-CG 3.47Å; A351-Q355 PolarHBondContact O-N 3.11Å; A351-A376 HydrophobicContact CB-CB 4.22Å; A351-C379 HydrophobicContact CB-CB 3.45Å; A351-C379 VanDerWaalsContact CB-CB 3.45Å
352R98.3Very high97.7Very high52 Ų5231.6 Ų31.620%0.19615%0.147CC..Hα-helixtrans-65.6-36.6175-74.2175.2-175.7177.6-1.6112.9L234 D314 I317 V348 Y349 L350 Q355 A356L234-R352 HydrophobicContact CD2-CG 4.11Å; L234-R352 HydrophobicContact CG-CG 4.46Å; L234-R352 VanDerWaalsContact O-CZ 3.28Å; L234-R352 PolarHBondContact O-NE 3.03Å; L234-R352 PolarHBondContact O-NH2 3.44Å; D314-R352 VanDerWaalsContact CG-NH1 3.28Å; D314-R352 IonicContact OD1-NH1 2.67Å; D314-R352 PolarHBondContact OD1-NH1 3.41Å; D314-R352 IonicContact OD2-NH1 3.71Å; D314-R352 PolarHBondContact OD2-NH1 2.92Å; I317-R352 HydrophobicContact CD1-CB 4.1Å; V348-R352 VanDerWaalsContact O-CG 3.3Å; V348-R352 WeakPolarHBondContact O-CG 3.31Å; V348-R352 PolarHBondContact O-N 3.47Å; Y349-R352 PolarHBondContact O-N 3.4Å; L350-R352 VanDerWaalsContact C-N 3.32Å; L350-R352 PolarHBondContact O-N 3.47Å; R352-Q355 PolarHBondContact O-N 3.03Å; R352-A356 WeakPolarHBondContact O-CB 3.37Å; R352-A356 PolarHBondContact O-N 3.12Å
353L98.2Very high97.7Very high0 Ų033 Ų330%016%0.16CC..Hα-helixtrans-59.2-47.6171.9-77.8172.8000111.4L313 I317 L332 L335 I336 Y349 L350 Q355 A356 R357L313-L353 HydrophobicContact CD1-CD1 3.92Å; L313-L353 HydrophobicContact CD2-CD1 3.93Å; L313-L353 HydrophobicContact CD2-CD2 4.34Å; L313-L353 HydrophobicContact CG-CD1 4.4Å; I317-L353 HydrophobicContact CD1-CD2 3.82Å; I317-L353 HydrophobicContact CD1-CG 4.14Å; I317-L353 HydrophobicContact CG1-CD2 3.95Å; L332-L353 HydrophobicContact CD2-CD2 3.93Å; L335-L353 HydrophobicContact CB-CD1 4.37Å; L335-L353 HydrophobicContact CB-CD2 4.01Å; L335-L353 HydrophobicContact CD1-CD2 4.12Å; I336-L353 HydrophobicContact CD1-CB 4.36Å; I336-L353 HydrophobicContact CG1-CB 3.81Å; I336-L353 HydrophobicContact CG1-CD1 4.33Å; Y349-L353 PolarHBondContact O-N 2.94Å; L350-L353 HydrophobicContact CD1-CD1 4.44Å; L350-L353 WeakPolarHBondContact O-CB 3.29Å; L350-L353 PolarHBondContact O-N 3.33Å; L353-Q355 VanDerWaalsContact C-N 3.34Å; L353-Q355 PolarHBondContact O-N 2.74Å; L353-A356 PolarHBondContact O-N 3.22Å; L353-R357 WeakPolarHBondContact O-CB 3.41Å; L353-R357 PolarHBondContact O-N 2.91Å
354Y98.5Very high97.7Very high7 Ų738 Ų383%0.02719%0.194CC..Hα-helixtrans-61.6-41.9175.9-75.2-71.3000111.9I336 S340 L350 A351 R357 I358 E371 K375I336-Y354 HydrophobicContact CD1-CD1 3.97Å; I336-Y354 HydrophobicContact CD1-CE1 4.18Å; I336-Y354 HydrophobicContact CD1-CG 4.45Å; I336-Y354 HydrophobicContact CG2-CD1 4.5Å; I336-Y354 HydrophobicContact CG2-CE1 3.67Å; I336-Y354 HydrophobicContact CG2-CE2 4.43Å; I336-Y354 WeakPolarHBondContact CG2-OH 3.31Å; S340-Y354 PolarHBondContact OG-OH 3.28Å; L350-Y354 HydrophobicContact CD1-CD2 4.22Å; L350-Y354 HydrophobicContact CD1-CE2 3.64Å; L350-Y354 HydrophobicContact CD2-CE2 4.32Å; L350-Y354 HydrophobicContact CG-CD2 4.14Å; L350-Y354 HydrophobicContact CG-CE2 3.73Å; L350-Y354 WeakPolarHBondContact O-CD2 3.27Å; L350-Y354 PolarHBondContact O-N 2.79Å; A351-Y354 PolarHBondContact O-N 3.4Å; Y354-R357 PolarHBondContact O-N 3.42Å; Y354-I358 VanDerWaalsContact O-CG1 3.26Å; Y354-I358 WeakPolarHBondContact O-CG1 3.48Å; Y354-I358 PolarHBondContact O-N 3.01Å; Y354-E371 WeakPolarHBondContact CE1-OE1 3.15Å; Y354-K375 HydrophobicContact CD1-CB 3.85Å; Y354-K375 HydrophobicContact CD1-CG 4.29Å; Y354-K375 HydrophobicContact CD2-CB 3.63Å; Y354-K375 HydrophobicContact CE1-CB 3.69Å; Y354-K375 HydrophobicContact CE1-CG 3.7Å; Y354-K375 HydrophobicContact CE2-CB 3.5Å; Y354-K375 HydrophobicContact CE2-CD 4.48Å; Y354-K375 HydrophobicContact CE2-CG 4.1Å; Y354-K375 HydrophobicContact CG-CB 3.83Å
355Q97.6Very high97.7Very high48 Ų4841.2 Ų41.222%0.22421%0.211CC..Hα-helixtrans-62.6-41.9175.1-74.5-173.1-19.700112.8A351 R352 L353 I358 R359 M380A351-Q355 WeakPolarHBondContact O-CG 3.47Å; A351-Q355 PolarHBondContact O-N 3.11Å; R352-Q355 PolarHBondContact O-N 3.03Å; L353-Q355 VanDerWaalsContact C-N 3.34Å; L353-Q355 PolarHBondContact O-N 2.74Å; Q355-I358 PolarHBondContact O-N 3.2Å; Q355-R359 WeakPolarHBondContact O-CG 3.34Å; Q355-R359 PolarHBondContact O-N 3.35Å; Q355-M380 PolarHBondContact NE2-SD 3.38Å
356A98.1Very high97.7Very high3 Ų338.4 Ų38.43%0.02519%0.194CC..Hα-helixtrans-62-45174.700000110.6I317 F322 L332 R352 L353 I358 R359I317-A356 HydrophobicContact CG1-CB 4.33Å; I317-A356 HydrophobicContact CG2-CB 4.11Å; F322-A356 HydrophobicContact CE1-CB 4.16Å; F322-A356 HydrophobicContact CZ-CB 4.01Å; L332-A356 HydrophobicContact CD1-CB 3.92Å; L332-A356 HydrophobicContact CD2-CB 4.06Å; R352-A356 WeakPolarHBondContact O-CB 3.37Å; R352-A356 PolarHBondContact O-N 3.12Å; L353-A356 PolarHBondContact O-N 3.22Å; A356-I358 VanDerWaalsContact C-N 3.35Å; A356-I358 PolarHBondContact O-N 2.76Å; A356-R359 WeakPolarHBondContact O-CB 3.48Å; A356-R359 PolarHBondContact O-N 2.87Å; A356-R359 VanDerWaalsContact O-N 3.11Å
357R98.2Very high97.7Very high4 Ų439.3 Ų39.32%0.01521%0.208CC..Hα-helixtrans-64.5-38.9-179.9-168.7-153.160.5174.8-4.9112.1F329 L332 E333 I336 L353 Y354 R359 C360 T361 C368 E371 G372F329-R357 HydrophobicContact CD2-CG 3.83Å; F329-R357 HydrophobicContact CE2-CG 3.79Å; L332-R357 HydrophobicContact CB-CB 4.11Å; L332-R357 HydrophobicContact CB-CG 4.24Å; L332-R357 HydrophobicContact CD1-CB 4.23Å; E333-R357 WeakPolarHBondContact OE1-CD 3.46Å; E333-R357 IonicContact OE1-CZ 3.07Å; E333-R357 IonicContact OE1-NE 3.82Å; E333-R357 IonicContact OE1-NH1 2.8Å; E333-R357 PolarHBondContact OE1-NH1 2.86Å; I336-R357 HydrophobicContact CD1-CB 3.85Å; I336-R357 HydrophobicContact CD1-CG 4.21Å; L353-R357 WeakPolarHBondContact O-CB 3.41Å; L353-R357 PolarHBondContact O-N 2.91Å; Y354-R357 PolarHBondContact O-N 3.42Å; R357-R359 PolarHBondContact O-N 3.21Å; R357-C360 CarbonylContact O-C 3.55Å; R357-C360 PolarHBondContact O-N 2.92Å; R357-T361 PolarHBondContact O-N 3.24Å; R357-T361 PolarHBondContact O-OG1 3.31Å; R357-C368 PolarHBondContact NH1-SG 3.42Å; R357-C368 PolarHBondContact NH2-O 3.14Å; R357-E371 IonicContact CZ-OE2 3.39Å; R357-E371 IonicContact NH1-OE2 3.87Å; R357-E371 PolarHBondContact NH1-OE2 2.96Å; R357-E371 IonicContact NH2-OE2 3.22Å; R357-E371 PolarHBondContact NH2-OE2 3.26Å; R357-G372 VanDerWaalsContact NH2-CA 3.3Å; R357-G372 VanDerWaalsContact NH2-N 3.18Å
358I97.9Very high97.7Very high34 Ų3439.9 Ų39.917%0.17421%0.213CC..Hα-helixtrans-54.7-40.5174-72.9162.7000111Y354 Q355 A356 C360 T361 L369Y354-I358 VanDerWaalsContact O-CG1 3.26Å; Y354-I358 WeakPolarHBondContact O-CG1 3.48Å; Y354-I358 PolarHBondContact O-N 3.01Å; Q355-I358 PolarHBondContact O-N 3.2Å; A356-I358 VanDerWaalsContact C-N 3.35Å; A356-I358 PolarHBondContact O-N 2.76Å; I358-C360 PolarHBondContact O-N 3.08Å; I358-T361 PolarHBondContact O-N 3.37Å; I358-T361 VanDerWaalsContact O-N 3.16Å; I358-L369 HydrophobicContact CG2-CD2 3.96Å
359R95.8Very high97.8Very high178 Ų17840.3 Ų40.367%0.67222%0.215SC*.Hα-helixtrans-62.9-24.9178.6-61.3172-174.2-170.80.8113.4F322 Q355 A356 R357F322-R359 HydrophobicContact CD1-CB 4.14Å; F322-R359 HydrophobicContact CE1-CB 4.24Å; Q355-R359 WeakPolarHBondContact O-CG 3.34Å; Q355-R359 PolarHBondContact O-N 3.35Å; A356-R359 WeakPolarHBondContact O-CB 3.48Å; A356-R359 PolarHBondContact O-N 2.87Å; A356-R359 VanDerWaalsContact O-N 3.11Å; R357-R359 PolarHBondContact O-N 3.21Å
360C96.6Very high97.8Very high7 Ų739.9 Ų39.95%0.04721%0.214CC..Hα-helixtrans-1040.3179.6-62.40000113.4F322 T328 F329 R357 I358F322-C360 WeakPolarHBondContact CD1-SG 3.42Å; T328-C360 VanDerWaalsContact CG2-SG 3.57Å; F329-C360 HydrophobicContact CB-CB 4.05Å; R357-C360 CarbonylContact O-C 3.55Å; R357-C360 PolarHBondContact O-N 2.92Å; I358-C360 PolarHBondContact O-N 3.08Å
361T97.9Very high97.8Very high12 Ų1242.5 Ų42.57%0.07423%0.226CC..SBendtrans-83.2129.4-177.6-58.90000109.8F329 R357 I358 N365 C368 L369F329-T361 HydrophobicContact CE2-CG2 4.37Å; F329-T361 WeakPolarHBondContact CE2-OG1 3.47Å; R357-T361 PolarHBondContact O-N 3.24Å; R357-T361 PolarHBondContact O-OG1 3.31Å; I358-T361 PolarHBondContact O-N 3.37Å; I358-T361 VanDerWaalsContact O-N 3.16Å; T361-N365 HydrophobicContact CG2-CB 4.05Å; T361-C368 HydrophobicContact CG2-CB 3.86Å; T361-L369 HydrophobicContact CG2-CD2 3.75Å; T361-L369 HydrophobicContact CG2-CG 3.72Å
362E96.4Very high97.8Very high113 Ų11342.4 Ų42.453%0.52823%0.225SC..  trans-54.7132.7175.7-72.5-63.1155.600111.2S364 N365E362-S364 PolarHBondContact O-N 3.4Å; E362-N365 PolarHBondContact O-N 2.91Å
363P96Very high97.8Very high89 Ų8940.1 Ų40.158%0.57822%0.217SC*.THydrogen-bonded Turntrans-58.9-17.9-178.5-27.335.2000115.4R404P363-R404 PolarHBondContact O-NH1 3.03Å; P363-R404 VanDerWaalsContact O-NH1 3.15Å
364S96.7Very high97.8Very high104 Ų10443.9 Ų43.973%0.72724%0.236SC*.THydrogen-bonded Turntrans-79.6-23.6174.356.80000113.1E362 V366E362-S364 PolarHBondContact O-N 3.4Å; S364-V366 PolarHBondContact O-N 3.5Å
365N97.8Very high97.8Very high69 Ų6948.5 Ų48.537%0.36926%0.257SS..  trans-84.964.8178.1-167.6-8.8000111.1T361 E362 A367 C368 L369T361-N365 HydrophobicContact CG2-CB 4.05Å; E362-N365 PolarHBondContact O-N 2.91Å; N365-A367 VanDerWaalsContact C-N 3.27Å; N365-A367 PolarHBondContact O-N 3.17Å; N365-C368 HydrophobicContact CB-CB 4.26Å; N365-C368 WeakPolarHBondContact ND2-CB 3.07Å; N365-C368 PolarHBondContact O-N 3.28Å; N365-C368 WeakPolarHBondContact OD1-CB 3.5Å; N365-C368 PolarHBondContact OD1-N 2.83Å; N365-L369 WeakPolarHBondContact O-CG 3.49Å; N365-L369 PolarHBondContact O-N 2.98Å; N365-L369 VanDerWaalsContact O-N 3.12Å
366V98.3Very high97.9Very high17 Ų1746.2 Ų46.210%0.10325%0.246CC..Hα-helixtrans-61.6-34.5-175.1-175.10000112.4S364 L369 L370 Y401 R404 L405S364-V366 PolarHBondContact O-N 3.5Å; V366-L369 PolarHBondContact O-N 3.29Å; V366-L370 WeakPolarHBondContact O-CB 3.47Å; V366-L370 PolarHBondContact O-N 2.69Å; V366-Y401 HydrophobicContact CG1-CD1 4.14Å; V366-Y401 HydrophobicContact CG1-CG 4.31Å; V366-Y401 WeakPolarHBondContact CG1-O 3.31Å; V366-R404 HydrophobicContact CG1-CB 3.81Å; V366-R404 HydrophobicContact CG2-CB 4.34Å; V366-L405 HydrophobicContact CB-CD2 4.22Å; V366-L405 HydrophobicContact CB-CG 4.29Å; V366-L405 HydrophobicContact CG1-CD1 4.03Å; V366-L405 HydrophobicContact CG1-CD2 4.24Å; V366-L405 HydrophobicContact CG1-CG 3.77Å
367A98.5Very high97.9Very high58 Ų5847.5 Ų47.548%0.47925%0.253SS..Hα-helixtrans-62.5-43.8177.500000112N365 L370 E371N365-A367 VanDerWaalsContact C-N 3.27Å; N365-A367 PolarHBondContact O-N 3.17Å; A367-L370 PolarHBondContact O-N 2.78Å; A367-E371 VanDerWaalsContact O-CB 3.32Å; A367-E371 WeakPolarHBondContact O-CB 3.37Å; A367-E371 PolarHBondContact O-N 3.06Å
368C98.3Very high97.9Very high13 Ų1349.3 Ų49.39%0.08827%0.265CS..Hα-helixtrans-66.9-40176.2-176.40000112R357 T361 N365 E371 G372R357-C368 PolarHBondContact NH1-SG 3.42Å; R357-C368 PolarHBondContact NH2-O 3.14Å; T361-C368 HydrophobicContact CG2-CB 3.86Å; N365-C368 HydrophobicContact CB-CB 4.26Å; N365-C368 WeakPolarHBondContact ND2-CB 3.07Å; N365-C368 PolarHBondContact O-N 3.28Å; N365-C368 WeakPolarHBondContact OD1-CB 3.5Å; N365-C368 PolarHBondContact OD1-N 2.83Å; C368-E371 PolarHBondContact O-N 2.61Å; C368-G372 PolarHBondContact O-N 3.4Å
369L98.7Very high97.9Very high8 Ų847.7 Ų47.74%0.04226%0.257CS..Hα-helixtrans-60.6-47.1174.5-70169.4000111.7I358 T361 N365 V366 G372 C373 Y401I358-L369 HydrophobicContact CG2-CD2 3.96Å; T361-L369 HydrophobicContact CG2-CD2 3.75Å; T361-L369 HydrophobicContact CG2-CG 3.72Å; N365-L369 WeakPolarHBondContact O-CG 3.49Å; N365-L369 PolarHBondContact O-N 2.98Å; N365-L369 VanDerWaalsContact O-N 3.12Å; V366-L369 PolarHBondContact O-N 3.29Å; L369-G372 PolarHBondContact O-N 2.88Å; L369-C373 PolarHBondContact O-N 3.18Å; L369-C373 PolarHBondContact O-SG 3.35Å; L369-Y401 HydrophobicContact CB-CD1 4.11Å; L369-Y401 HydrophobicContact CB-CD2 3.83Å; L369-Y401 HydrophobicContact CB-CE1 3.95Å; L369-Y401 HydrophobicContact CB-CE2 3.66Å; L369-Y401 HydrophobicContact CB-CG 4.06Å; L369-Y401 HydrophobicContact CD1-CD1 4.3Å; L369-Y401 HydrophobicContact CD1-CE1 3.76Å; L369-Y401 HydrophobicContact CG-CE1 4.39Å
370L98.7Very high98Very high12 Ų1239.5 Ų39.56%0.06323%0.226CC..Hα-helixtrans-61.9-46.8176.7178.457.1000111.8V366 A367 G372 C373 L374 I398 Q402 L405 I407V366-L370 WeakPolarHBondContact O-CB 3.47Å; V366-L370 PolarHBondContact O-N 2.69Å; A367-L370 PolarHBondContact O-N 2.78Å; L370-G372 VanDerWaalsContact C-N 3.33Å; L370-G372 PolarHBondContact O-N 2.81Å; L370-C373 PolarHBondContact O-N 3.1Å; L370-C373 VanDerWaalsContact O-N 3.17Å; L370-L374 HydrophobicContact CD1-CD1 3.9Å; L370-L374 HydrophobicContact CD1-CD2 4.41Å; L370-L374 HydrophobicContact CD1-CG 3.88Å; L370-L374 HydrophobicContact CD2-CD1 4.41Å; L370-L374 HydrophobicContact CG-CD1 3.8Å; L370-L374 HydrophobicContact CG-CG 4.24Å; L370-L374 WeakPolarHBondContact O-CG 3.19Å; L370-L374 PolarHBondContact O-N 2.8Å; L370-I398 HydrophobicContact CD1-CB 4.49Å; L370-I398 HydrophobicContact CD1-CG2 3.97Å; L370-Q402 HydrophobicContact CD1-CG 3.79Å; L370-Q402 HydrophobicContact CD2-CG 3.85Å; L370-L405 HydrophobicContact CB-CD1 4.36Å; L370-L405 HydrophobicContact CD2-CD1 3.7Å; L370-I407 HydrophobicContact CD2-CD1 3.62Å
371E98.5Very high98.1Very high62 Ų6243 Ų4329%0.2924%0.244SC..Hα-helixtrans-57.7-45.7180-177-93.8160.400111.3Y354 R357 A367 C368 C373 L374 K375Y354-E371 WeakPolarHBondContact CE1-OE1 3.15Å; R357-E371 IonicContact CZ-OE2 3.39Å; R357-E371 IonicContact NH1-OE2 3.87Å; R357-E371 PolarHBondContact NH1-OE2 2.96Å; R357-E371 IonicContact NH2-OE2 3.22Å; R357-E371 PolarHBondContact NH2-OE2 3.26Å; A367-E371 VanDerWaalsContact O-CB 3.32Å; A367-E371 WeakPolarHBondContact O-CB 3.37Å; A367-E371 PolarHBondContact O-N 3.06Å; C368-E371 PolarHBondContact O-N 2.61Å; E371-C373 PolarHBondContact O-N 3.29Å; E371-L374 PolarHBondContact O-N 3.33Å; E371-K375 HydrophobicContact CG-CG 4.36Å; E371-K375 WeakPolarHBondContact O-CB 3.39Å; E371-K375 WeakPolarHBondContact O-CG 3.44Å; E371-K375 PolarHBondContact O-N 3.17Å; E371-K375 WeakPolarHBondContact OE1-CE 3.43Å; E371-K375 WeakPolarHBondContact OE1-CG 3.21Å
372G98.5Very high98Very high0 Ų045.7 Ų45.70%025%0.252CS..Hα-helixtrans-61-42.4176.300000112.8R357 C368 L369 L370 K375 A376R357-G372 VanDerWaalsContact NH2-CA 3.3Å; R357-G372 VanDerWaalsContact NH2-N 3.18Å; C368-G372 PolarHBondContact O-N 3.4Å; L369-G372 PolarHBondContact O-N 2.88Å; L370-G372 VanDerWaalsContact C-N 3.33Å; L370-G372 PolarHBondContact O-N 2.81Å; G372-K375 PolarHBondContact O-N 3.07Å; G372-A376 WeakPolarHBondContact O-CB 3.46Å; G372-A376 PolarHBondContact O-N 3.13Å
373C98.6Very high98.1Very high4 Ų440.3 Ų40.33%0.02723%0.227CC..Hα-helixtrans-64.4-43.8176.8-71.70000111.8L369 L370 E371 A376 L377 H394 I398L369-C373 PolarHBondContact O-N 3.18Å; L369-C373 PolarHBondContact O-SG 3.35Å; L370-C373 PolarHBondContact O-N 3.1Å; L370-C373 VanDerWaalsContact O-N 3.17Å; E371-C373 PolarHBondContact O-N 3.29Å; C373-A376 PolarHBondContact O-N 3.21Å; C373-L377 PolarHBondContact O-N 3.32Å; C373-L377 VanDerWaalsContact O-N 3.14Å; C373-H394 PolarHBondContact O-CE1 2.84Å; C373-H394 PolarHBondContact O-NE2 3.2Å; C373-I398 HydrophobicContact CB-CD1 4.29Å; C373-I398 HydrophobicContact CB-CG1 3.52Å
374L98.6Very high98.2Very high79 Ų7936.6 Ų36.641%0.41420%0.202SC..Hα-helixtrans-65.4-39.7178.5-69174.1000111.8L370 E371 L377 P378 I398L370-L374 HydrophobicContact CD1-CD1 3.9Å; L370-L374 HydrophobicContact CD1-CD2 4.41Å; L370-L374 HydrophobicContact CD1-CG 3.88Å; L370-L374 HydrophobicContact CD2-CD1 4.41Å; L370-L374 HydrophobicContact CG-CD1 3.8Å; L370-L374 HydrophobicContact CG-CG 4.24Å; L370-L374 WeakPolarHBondContact O-CG 3.19Å; L370-L374 PolarHBondContact O-N 2.8Å; E371-L374 PolarHBondContact O-N 3.33Å; L374-L377 WeakPolarHBondContact O-CB 3.34Å; L374-L377 PolarHBondContact O-N 3.34Å; L374-P378 WeakPolarHBondContact O-CD 3.39Å; L374-I398 HydrophobicContact CD2-CD1 4.28Å; L374-I398 HydrophobicContact CD2-CG2 4.21Å
375K98.5Very high98.2Very high104 Ų10431.7 Ų31.745%0.45217%0.168SC..Hα-helixtrans-69.6-32.9178.4-69.4-71.8-172.6175.60113.6Y354 E371 G372 P378Y354-K375 HydrophobicContact CD1-CB 3.85Å; Y354-K375 HydrophobicContact CD1-CG 4.29Å; Y354-K375 HydrophobicContact CD2-CB 3.63Å; Y354-K375 HydrophobicContact CE1-CB 3.69Å; Y354-K375 HydrophobicContact CE1-CG 3.7Å; Y354-K375 HydrophobicContact CE2-CB 3.5Å; Y354-K375 HydrophobicContact CE2-CD 4.48Å; Y354-K375 HydrophobicContact CE2-CG 4.1Å; Y354-K375 HydrophobicContact CG-CB 3.83Å; E371-K375 HydrophobicContact CG-CG 4.36Å; E371-K375 WeakPolarHBondContact O-CB 3.39Å; E371-K375 WeakPolarHBondContact O-CG 3.44Å; E371-K375 PolarHBondContact O-N 3.17Å; E371-K375 WeakPolarHBondContact OE1-CE 3.43Å; E371-K375 WeakPolarHBondContact OE1-CG 3.21Å; G372-K375 PolarHBondContact O-N 3.07Å; K375-P378 WeakPolarHBondContact O-CD 3.37Å
376A98.5Very high98.1Very high0 Ų034.4 Ų34.40%018%0.176CC..Hα-helixtrans-77.9-22.4175.100000113.2A351 G372 C373 C379 M380A351-A376 HydrophobicContact CB-CB 4.22Å; G372-A376 WeakPolarHBondContact O-CB 3.46Å; G372-A376 PolarHBondContact O-N 3.13Å; C373-A376 PolarHBondContact O-N 3.21Å; A376-C379 PolarHBondContact O-N 2.9Å; A376-M380 HydrophobicContact CB-CG 4.46Å; A376-M380 WeakPolarHBondContact O-CG 2.85Å; A376-M380 PolarHBondContact O-N 2.8Å
377L98.6Very high98.1Very high31 Ų3134.4 Ų34.416%0.16218%0.176CC..Hα-helixtrans-55.2-43-171.8-178.463.6000114.8C373 L374 C379 M380 L381 L391 F395 I398C373-L377 PolarHBondContact O-N 3.32Å; C373-L377 VanDerWaalsContact O-N 3.14Å; L374-L377 WeakPolarHBondContact O-CB 3.34Å; L374-L377 PolarHBondContact O-N 3.34Å; L377-C379 VanDerWaalsContact C-N 3.3Å; L377-C379 PolarHBondContact O-N 2.94Å; L377-M380 PolarHBondContact O-N 3.19Å; L377-M380 VanDerWaalsContact O-N 3.13Å; L377-L381 HydrophobicContact CD1-CD1 4.13Å; L377-L381 HydrophobicContact CD1-CD2 4.32Å; L377-L381 HydrophobicContact CD1-CG 3.9Å; L377-L381 HydrophobicContact CG-CD1 3.94Å; L377-L381 HydrophobicContact CG-CG 4.2Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.39Å; L377-L391 HydrophobicContact CD1-CD1 4.41Å; L377-F395 HydrophobicContact CD1-CE1 4.28Å; L377-F395 HydrophobicContact CD1-CE2 4.38Å; L377-F395 HydrophobicContact CD1-CZ 3.96Å; L377-F395 HydrophobicContact CD2-CE1 4.48Å; L377-I398 HydrophobicContact CD1-CD1 4.43Å; L377-I398 HydrophobicContact CD2-CD1 4.15Å
378P98.1Very high98Very high42 Ų4232.2 Ų32.227%0.27316%0.155SC..Hα-helixtrans-57-42.6178.4-25.635.2000112.7V345 E346 L374 K375 R382V345-P378 HydrophobicContact CG2-CB 4.35Å; V345-P378 HydrophobicContact CG2-CG 4.49Å; E346-P378 HydrophobicContact CG-CB 4.35Å; L374-P378 WeakPolarHBondContact O-CD 3.39Å; K375-P378 WeakPolarHBondContact O-CD 3.37Å; P378-R382 PolarHBondContact O-N 3.3Å
379C98.4Very high97.9Very high0 Ų031.7 Ų31.70%015%0.152CC..Hα-helixtrans-68.1-43.1175.3-172.20000111.9E346 V348 A351 A376 L377 L381 R382 C383E346-C379 WeakPolarHBondContact O-CB 3.34Å; E346-C379 PolarHBondContact O-SG 3.4Å; V348-C379 VanDerWaalsContact CA-SG 3.51Å; A351-C379 HydrophobicContact CB-CB 3.45Å; A351-C379 VanDerWaalsContact CB-CB 3.45Å; A376-C379 PolarHBondContact O-N 2.9Å; L377-C379 VanDerWaalsContact C-N 3.3Å; L377-C379 PolarHBondContact O-N 2.94Å; C379-L381 VanDerWaalsContact C-N 3.3Å; C379-L381 PolarHBondContact O-N 3.04Å; C379-R382 PolarHBondContact O-N 3.41Å; C379-C383 PolarHBondContact O-N 3.13Å; C379-C383 PolarHBondContact O-SG 2.86Å
380M98.2Very high97.8Very high5 Ų532.8 Ų32.83%0.02516%0.162CC..Hα-helixtrans-57.7-43.1178.6-64.7-63.1-72.400111.7L234 Q355 A376 L377 R382 C383 F384 L391 H394L234-M380 HydrophobicContact CD1-SD 3.9Å; L234-M380 HydrophobicContact CD2-SD 4.24Å; Q355-M380 PolarHBondContact NE2-SD 3.38Å; A376-M380 HydrophobicContact CB-CG 4.46Å; A376-M380 WeakPolarHBondContact O-CG 2.85Å; A376-M380 PolarHBondContact O-N 2.8Å; L377-M380 PolarHBondContact O-N 3.19Å; L377-M380 VanDerWaalsContact O-N 3.13Å; M380-R382 VanDerWaalsContact C-N 3.26Å; M380-R382 PolarHBondContact O-N 2.95Å; M380-C383 PolarHBondContact O-N 3.41Å; M380-F384 HydrophobicContact CB-CD2 4.49Å; M380-F384 HydrophobicContact CE-CD2 3.67Å; M380-F384 HydrophobicContact CE-CE2 3.39Å; M380-F384 HydrophobicContact CE-CZ 4.32Å; M380-F384 WeakPolarHBondContact O-CD2 3.32Å; M380-F384 PolarHBondContact O-N 2.88Å; M380-F384 HydrophobicContact SD-CD2 4.1Å; M380-F384 HydrophobicContact SD-CE2 3.69Å; M380-L391 HydrophobicContact CB-CD1 4.05Å; M380-H394 HydrophobicContact CE-CB 4.22Å
381L97.7Very high97.7Very high81 Ų8132.3 Ų32.342%0.42416%0.16SC..Hα-helixtrans-64.2-28.4177.6-70.5170.7000113.2L377 C379 L391 F395L377-L381 HydrophobicContact CD1-CD1 4.13Å; L377-L381 HydrophobicContact CD1-CD2 4.32Å; L377-L381 HydrophobicContact CD1-CG 3.9Å; L377-L381 HydrophobicContact CG-CD1 3.94Å; L377-L381 HydrophobicContact CG-CG 4.2Å; L377-L381 WeakPolarHBondContact O-CG 3.45Å; L377-L381 PolarHBondContact O-N 3.39Å; C379-L381 VanDerWaalsContact C-N 3.3Å; C379-L381 PolarHBondContact O-N 3.04Å; L381-L391 HydrophobicContact CD2-CD1 4.16Å; L381-L391 HydrophobicContact CD2-CD2 4.16Å; L381-F395 HydrophobicContact CD2-CE2 4.32Å; L381-F395 HydrophobicContact CD2-CZ 4.23Å
382R96.7Very high97.7Very high68 Ų6829.4 Ų29.426%0.25715%0.146SC..Hα-helixtrans-84-24175-67.3-168.27279.412.6113.7W197 T261 L264 L265 P378 C379 M380W197-R382 WeakPolarHBondContact CZ3-O 3.42Å; T261-R382 PolarHBondContact O-NH2 3.02Å; T261-R382 PolarHBondContact OG1-NH2 3.33Å; L264-R382 VanDerWaalsContact CD1-NH1 3.33Å; L265-R382 HydrophobicContact CD2-CB 3.94Å; P378-R382 PolarHBondContact O-N 3.3Å; C379-R382 PolarHBondContact O-N 3.41Å; M380-R382 VanDerWaalsContact C-N 3.26Å; M380-R382 PolarHBondContact O-N 2.95Å
383C97.9Very high97.6Very high0 Ų033.9 Ų33.90%016%0.164CC..Hα-helixtrans-92.8-32-175-67.90000113.2L234 R256 C379 M380L234-C383 HydrophobicContact CD1-CB 4.12Å; R256-C383 PolarHBondContact NH1-O 3.36Å; R256-C383 PolarHBondContact NH2-SG 3.12Å; R256-C383 VanDerWaalsContact NH2-SG 3.36Å; C379-C383 PolarHBondContact O-N 3.13Å; C379-C383 PolarHBondContact O-SG 2.86Å; M380-C383 PolarHBondContact O-N 3.41Å
384F98Very high97.6Very high12 Ų1234.3 Ų34.35%0.05317%0.165CC..SBendtrans-113.9134.6-170.7-67.5-76.4000112.7W197 L233 L234 M380 H388 A390 L391W197-F384 WeakPolarHBondContact CH2-O 3.22Å; L233-F384 HydrophobicContact CB-CD1 4.05Å; L233-F384 HydrophobicContact CB-CE1 3.72Å; L233-F384 HydrophobicContact CB-CZ 4.23Å; L233-F384 HydrophobicContact CD1-CD1 3.81Å; L233-F384 HydrophobicContact CD1-CE1 4.09Å; L233-F384 HydrophobicContact CG-CE1 4.39Å; L234-F384 HydrophobicContact CB-CE2 4.16Å; L234-F384 HydrophobicContact CB-CZ 4.1Å; L234-F384 HydrophobicContact CD1-CE2 4.31Å; M380-F384 HydrophobicContact CB-CD2 4.49Å; M380-F384 HydrophobicContact CE-CD2 3.67Å; M380-F384 HydrophobicContact CE-CE2 3.39Å; M380-F384 HydrophobicContact CE-CZ 4.32Å; M380-F384 WeakPolarHBondContact O-CD2 3.32Å; M380-F384 PolarHBondContact O-N 2.88Å; M380-F384 HydrophobicContact SD-CD2 4.1Å; M380-F384 HydrophobicContact SD-CE2 3.69Å; F384-H388 HydrophobicContact CB-CB 4.09Å; F384-H388 HydrophobicContact CD1-CB 4.33Å; F384-H388 AromaticContact CD1-CE1 3.66Å; F384-H388 AromaticContact CD1-CG 3.71Å; F384-H388 AromaticContact CD1-ND1 3.38Å; F384-H388 WeakPolarHBondContact CD1-ND1 3.19Å; F384-H388 AromaticContact CE1-CE1 3.77Å; F384-H388 AromaticContact CE1-ND1 3.86Å; F384-A390 HydrophobicContact CD1-CB 3.96Å; F384-A390 HydrophobicContact CE1-CB 3.66Å; F384-A390 HydrophobicContact CE2-CB 4.46Å; F384-A390 HydrophobicContact CG-CB 4.46Å; F384-A390 HydrophobicContact CZ-CB 3.95Å; F384-L391 HydrophobicContact CB-CB 3.98Å; F384-L391 HydrophobicContact CB-CD2 4.33Å
385P97.7Very high97.6Very high0 Ų031.4 Ų31.40%015%0.149CC..  trans-54.5154.2168.1-25.333.4000112W197 P198 L214 Y215 N387 H388W197-P385 HydrophobicContact CD2-CG 4.41Å; P198-P385 HydrophobicContact CG-CG 4.01Å; P198-P385 WeakPolarHBondContact O-CG 3.02Å; L214-P385 HydrophobicContact CB-CB 4.47Å; L214-P385 HydrophobicContact CD1-CB 3.94Å; L214-P385 HydrophobicContact CD1-CG 3.93Å; Y215-P385 HydrophobicContact CE2-CB 4.1Å; P385-N387 PolarHBondContact O-N 3.18Å; P385-H388 HydrophobicContact CB-CB 4.4Å; P385-H388 WeakPolarHBondContact O-CB 3.44Å; P385-H388 PolarHBondContact O-N 2.93Å
386K96.1Very high97.5Very high127 Ų12726.8 Ų26.855%0.55213%0.13SC*.THydrogen-bonded Turntrans-46.9-57.2-175.9-177.3-177.2174.6-179.20112.2Y215 H388 R420Y215-K386 HydrophobicContact CE1-CB 4.37Å; K386-H388 VanDerWaalsContact C-N 3.27Å; K386-H388 PolarHBondContact O-N 2.88Å; K386-R420 WeakPolarHBondContact O-CD 3.38Å; K386-R420 PolarHBondContact O-NH1 2.79Å
387N97.4Very high97.5Very high17 Ų1727.4 Ų27.49%0.09113%0.134CC..THydrogen-bonded Turntrans-87.711.2-174.4-61-42.6000114L214 P385 F423 S424L214-N387 HydrophobicContact CD2-CB 4.46Å; L214-N387 WeakPolarHBondContact O-CB 3.44Å; L214-N387 PolarHBondContact O-ND2 3.22Å; P385-N387 PolarHBondContact O-N 3.18Å; N387-F423 HydrophobicContact CB-CB 4.24Å; N387-F423 HydrophobicContact CB-CD1 3.62Å; N387-F423 HydrophobicContact CB-CE1 4.35Å; N387-F423 HydrophobicContact CB-CG 4.1Å; N387-F423 WeakPolarHBondContact ND2-CD1 3.5Å; N387-S424 WeakPolarHBondContact O-CB 3.36Å; N387-S424 PolarHBondContact O-OG 3.32Å
388H97.3Very high97.5Very high11 Ų1126 Ų265%0.05113%0.126CC..  trans-62.8131.4-177.1-165.6-80.7000111.4F384 P385 K386 A390 L391 A392F384-H388 HydrophobicContact CB-CB 4.09Å; F384-H388 HydrophobicContact CD1-CB 4.33Å; F384-H388 AromaticContact CD1-CE1 3.66Å; F384-H388 AromaticContact CD1-CG 3.71Å; F384-H388 AromaticContact CD1-ND1 3.38Å; F384-H388 WeakPolarHBondContact CD1-ND1 3.19Å; F384-H388 AromaticContact CE1-CE1 3.77Å; F384-H388 AromaticContact CE1-ND1 3.86Å; P385-H388 HydrophobicContact CB-CB 4.4Å; P385-H388 WeakPolarHBondContact O-CB 3.44Å; P385-H388 PolarHBondContact O-N 2.93Å; K386-H388 VanDerWaalsContact C-N 3.27Å; K386-H388 PolarHBondContact O-N 2.88Å; H388-A390 VanDerWaalsContact C-N 3.28Å; H388-A390 WeakPolarHBondContact ND1-CB 3.37Å; H388-A390 PolarHBondContact ND1-N 3.01Å; H388-A390 PolarHBondContact O-N 2.88Å; H388-L391 WeakPolarHBondContact O-CB 3.49Å; H388-L391 PolarHBondContact O-N 3.24Å; H388-A392 PolarHBondContact O-N 3.42Å; H388-A392 VanDerWaalsContact O-N 3.08Å
389P95.7Very high97.6Very high2 Ų224 Ų241%0.01311%0.113CC..Hα-helixtrans-55.1-36.7-177.7-30.437000114.9Y177 I201 L391 A392 Y393 F421 L425Y177-P389 HydrophobicContact CD1-CB 4.05Å; Y177-P389 HydrophobicContact CE1-CB 4.1Å; I201-P389 HydrophobicContact CD1-CG 3.84Å; P389-L391 VanDerWaalsContact C-N 3.29Å; P389-L391 PolarHBondContact O-N 2.67Å; P389-A392 WeakPolarHBondContact O-CB 3.37Å; P389-A392 PolarHBondContact O-N 3.47Å; P389-Y393 WeakPolarHBondContact O-CB 3.38Å; P389-Y393 PolarHBondContact O-N 3.48Å; P389-F421 HydrophobicContact CB-CE1 4.42Å; P389-L425 HydrophobicContact CB-CD1 4.29Å; P389-L425 HydrophobicContact CB-CD2 4.24Å; P389-L425 HydrophobicContact CB-CG 4.41Å; P389-L425 HydrophobicContact CG-CD1 4.42Å; P389-L425 HydrophobicContact CG-CD2 3.61Å; P389-L425 HydrophobicContact CG-CG 4.01Å
390A95.8Very high97.5Very high32 Ų3226.2 Ų26.226%0.26413%0.125SC..Hα-helixtrans-59-39.7175.300000112.7F384 H388 H394F384-A390 HydrophobicContact CD1-CB 3.96Å; F384-A390 HydrophobicContact CE1-CB 3.66Å; F384-A390 HydrophobicContact CE2-CB 4.46Å; F384-A390 HydrophobicContact CG-CB 4.46Å; F384-A390 HydrophobicContact CZ-CB 3.95Å; H388-A390 VanDerWaalsContact C-N 3.28Å; H388-A390 WeakPolarHBondContact ND1-CB 3.37Å; H388-A390 PolarHBondContact ND1-N 3.01Å; H388-A390 PolarHBondContact O-N 2.88Å; A390-H394 WeakPolarHBondContact O-CB 3.48Å; A390-H394 PolarHBondContact O-N 2.69Å; A390-H394 VanDerWaalsContact O-N 3.07Å
391L97.5Very high97.6Very high2 Ų227.9 Ų27.91%0.0113%0.131CC..Hα-helixtrans-73.8-37.5177-174.757.8000111.2L377 M380 L381 F384 H388 P389 H394 F395L377-L391 HydrophobicContact CD1-CD1 4.41Å; M380-L391 HydrophobicContact CB-CD1 4.05Å; L381-L391 HydrophobicContact CD2-CD1 4.16Å; L381-L391 HydrophobicContact CD2-CD2 4.16Å; F384-L391 HydrophobicContact CB-CB 3.98Å; F384-L391 HydrophobicContact CB-CD2 4.33Å; H388-L391 WeakPolarHBondContact O-CB 3.49Å; H388-L391 PolarHBondContact O-N 3.24Å; P389-L391 VanDerWaalsContact C-N 3.29Å; P389-L391 PolarHBondContact O-N 2.67Å; L391-H394 WeakPolarHBondContact O-CB 3.4Å; L391-H394 PolarHBondContact O-N 2.8Å; L391-F395 HydrophobicContact CD1-CD2 4.12Å; L391-F395 HydrophobicContact CD1-CE2 3.77Å; L391-F395 HydrophobicContact CD2-CE2 4.43Å; L391-F395 HydrophobicContact CG-CD2 4.06Å; L391-F395 HydrophobicContact CG-CE2 3.85Å; L391-F395 VanDerWaalsContact O-CD2 3.25Å; L391-F395 WeakPolarHBondContact O-CD2 3.25Å; L391-F395 PolarHBondContact O-N 3.25Å
392A97.5Very high97.6Very high0 Ų024.7 Ų24.70%011%0.114CC..Hα-helixtrans-59.6-46.5172.800000111.8H388 P389 H394 F395 M396 A417 R420 F421H388-A392 PolarHBondContact O-N 3.42Å; H388-A392 VanDerWaalsContact O-N 3.08Å; P389-A392 WeakPolarHBondContact O-CB 3.37Å; P389-A392 PolarHBondContact O-N 3.47Å; A392-H394 VanDerWaalsContact C-N 3.29Å; A392-H394 PolarHBondContact O-N 3.3Å; A392-F395 PolarHBondContact O-N 2.65Å; A392-M396 PolarHBondContact O-N 3.01Å; A392-A417 VanDerWaalsContact O-CB 3.24Å; A392-A417 WeakPolarHBondContact O-CB 3.3Å; A392-R420 HydrophobicContact CB-CB 3.57Å; A392-F421 HydrophobicContact CB-CD1 3.58Å; A392-F421 HydrophobicContact CB-CD2 4.08Å; A392-F421 HydrophobicContact CB-CE1 3.53Å; A392-F421 HydrophobicContact CB-CE2 4.02Å; A392-F421 HydrophobicContact CB-CG 3.87Å; A392-F421 HydrophobicContact CB-CZ 3.77Å
393Y96.8Very high97.6Very high94 Ų9426.1 Ų26.137%0.36913%0.126SC..Hα-helixtrans-62-37.6176-170.8-85.2000112.2L178 P389 M396 S397 F421 L431L178-Y393 HydrophobicContact CD2-CD2 4.23Å; L178-Y393 HydrophobicContact CD2-CE2 4.06Å; P389-Y393 WeakPolarHBondContact O-CB 3.38Å; P389-Y393 PolarHBondContact O-N 3.48Å; Y393-M396 HydrophobicContact CD2-CE 3.51Å; Y393-M396 HydrophobicContact CE2-CE 3.5Å; Y393-M396 HydrophobicContact CG-CE 4.29Å; Y393-M396 WeakPolarHBondContact O-CB 3.08Å; Y393-M396 PolarHBondContact O-N 3.5Å; Y393-S397 WeakPolarHBondContact CE1-OG 3.34Å; Y393-S397 PolarHBondContact O-N 3.47Å; Y393-S397 PolarHBondContact O-OG 3.29Å; Y393-F421 HydrophobicContact CD2-CZ 4.42Å; Y393-L431 HydrophobicContact CD2-CD2 4.33Å; Y393-L431 HydrophobicContact CE2-CD2 4.38Å
394H97.9Very high97.6Very high14 Ų1433.6 Ų33.67%0.06516%0.155CC..Hα-helixtrans-62.1-46.7175.2-162.386000111.9C373 M380 A390 L391 A392 S397 I398C373-H394 PolarHBondContact O-CE1 2.84Å; C373-H394 PolarHBondContact O-NE2 3.2Å; M380-H394 HydrophobicContact CE-CB 4.22Å; A390-H394 WeakPolarHBondContact O-CB 3.48Å; A390-H394 PolarHBondContact O-N 2.69Å; A390-H394 VanDerWaalsContact O-N 3.07Å; L391-H394 WeakPolarHBondContact O-CB 3.4Å; L391-H394 PolarHBondContact O-N 2.8Å; A392-H394 VanDerWaalsContact C-N 3.29Å; A392-H394 PolarHBondContact O-N 3.3Å; H394-S397 PolarHBondContact O-N 3.06Å; H394-I398 WeakPolarHBondContact O-CG1 3.28Å; H394-I398 PolarHBondContact O-N 2.74Å
395F98.5Very high97.6Very high18 Ų1836.7 Ų36.78%0.07917%0.171CC..Hα-helixtrans-63-39.8173.6-82.5-68.7000112.5L377 L381 L391 A392 S397 I398 G399 N413 T416 A417L377-F395 HydrophobicContact CD1-CE1 4.28Å; L377-F395 HydrophobicContact CD1-CE2 4.38Å; L377-F395 HydrophobicContact CD1-CZ 3.96Å; L377-F395 HydrophobicContact CD2-CE1 4.48Å; L381-F395 HydrophobicContact CD2-CE2 4.32Å; L381-F395 HydrophobicContact CD2-CZ 4.23Å; L391-F395 HydrophobicContact CD1-CD2 4.12Å; L391-F395 HydrophobicContact CD1-CE2 3.77Å; L391-F395 HydrophobicContact CD2-CE2 4.43Å; L391-F395 HydrophobicContact CG-CD2 4.06Å; L391-F395 HydrophobicContact CG-CE2 3.85Å; L391-F395 VanDerWaalsContact O-CD2 3.25Å; L391-F395 WeakPolarHBondContact O-CD2 3.25Å; L391-F395 PolarHBondContact O-N 3.25Å; A392-F395 PolarHBondContact O-N 2.65Å; F395-S397 VanDerWaalsContact C-N 3.31Å; F395-S397 PolarHBondContact O-N 3.35Å; F395-I398 PolarHBondContact O-N 3.5Å; F395-G399 PolarHBondContact O-N 3.4Å; F395-N413 VanDerWaalsContact CD1-OD1 3.26Å; F395-N413 WeakPolarHBondContact CD1-OD1 3.38Å; F395-T416 HydrophobicContact CD1-CG2 4.14Å; F395-T416 HydrophobicContact CD2-CG2 4.01Å; F395-T416 HydrophobicContact CE1-CG2 4.32Å; F395-T416 HydrophobicContact CE2-CG2 4.21Å; F395-T416 HydrophobicContact CG-CG2 3.98Å; F395-T416 HydrophobicContact CZ-CG2 4.36Å; F395-A417 HydrophobicContact CB-CB 3.93Å
396M98.2Very high97.6Very high7 Ų739.9 Ų39.93%0.03420%0.204CC..Hα-helixtrans-60.4-43.3175.5-173.6179.67000111A392 Y393 G399 I400 L414 A417 F421 C435 L438A392-M396 PolarHBondContact O-N 3.01Å; Y393-M396 HydrophobicContact CD2-CE 3.51Å; Y393-M396 HydrophobicContact CE2-CE 3.5Å; Y393-M396 HydrophobicContact CG-CE 4.29Å; Y393-M396 WeakPolarHBondContact O-CB 3.08Å; Y393-M396 PolarHBondContact O-N 3.5Å; M396-G399 PolarHBondContact O-N 3.42Å; M396-I400 HydrophobicContact CG-CD1 3.94Å; M396-I400 HydrophobicContact CG-CG1 4.49Å; M396-I400 VanDerWaalsContact O-CG1 3.25Å; M396-I400 WeakPolarHBondContact O-CG1 3.49Å; M396-I400 PolarHBondContact O-N 2.97Å; M396-L414 HydrophobicContact CG-CD2 4.34Å; M396-A417 HydrophobicContact CB-CB 3.79Å; M396-F421 HydrophobicContact CB-CE2 4.24Å; M396-F421 HydrophobicContact CE-CE2 4.48Å; M396-F421 HydrophobicContact SD-CE2 3.86Å; M396-C435 HydrophobicContact SD-CB 3.8Å; M396-L438 HydrophobicContact CG-CD1 4.19Å; M396-L438 HydrophobicContact SD-CD1 4.34Å
397S98.1Very high97.7Very high13 Ų1336.4 Ų36.49%0.09119%0.191CC..Hα-helixtrans-62.5-46.7177.8-56.30000111.4Y393 H394 F395 G399 I400 Y401Y393-S397 WeakPolarHBondContact CE1-OG 3.34Å; Y393-S397 PolarHBondContact O-N 3.47Å; Y393-S397 PolarHBondContact O-OG 3.29Å; H394-S397 PolarHBondContact O-N 3.06Å; F395-S397 VanDerWaalsContact C-N 3.31Å; F395-S397 PolarHBondContact O-N 3.35Å; S397-G399 VanDerWaalsContact C-N 3.33Å; S397-G399 PolarHBondContact O-N 3Å; S397-I400 PolarHBondContact O-N 3.12Å; S397-Y401 WeakPolarHBondContact O-CD2 3.45Å; S397-Y401 VanDerWaalsContact O-CG 3.24Å; S397-Y401 PolarHBondContact O-N 2.78Å
398I98.7Very high97.6Very high1 Ų140.8 Ų40.81%0.00522%0.22CC..Hα-helixtrans-55-50.4173.6-68.7170.1000110.3L370 C373 L374 L377 H394 F395 I400 Y401 Q402 N413L370-I398 HydrophobicContact CD1-CB 4.49Å; L370-I398 HydrophobicContact CD1-CG2 3.97Å; C373-I398 HydrophobicContact CB-CD1 4.29Å; C373-I398 HydrophobicContact CB-CG1 3.52Å; L374-I398 HydrophobicContact CD2-CD1 4.28Å; L374-I398 HydrophobicContact CD2-CG2 4.21Å; L377-I398 HydrophobicContact CD1-CD1 4.43Å; L377-I398 HydrophobicContact CD2-CD1 4.15Å; H394-I398 WeakPolarHBondContact O-CG1 3.28Å; H394-I398 PolarHBondContact O-N 2.74Å; F395-I398 PolarHBondContact O-N 3.5Å; I398-I400 PolarHBondContact O-N 3.22Å; I398-Y401 PolarHBondContact O-N 2.99Å; I398-Q402 HydrophobicContact CG2-CG 4.25Å; I398-Q402 WeakPolarHBondContact O-CB 3.36Å; I398-Q402 WeakPolarHBondContact O-CG 3.43Å; I398-Q402 PolarHBondContact O-N 3.23Å; I398-N413 HydrophobicContact CG2-CB 4.19Å
399G98.5Very high97.5Very high0 Ų044.9 Ų44.90%024%0.239CC..Hα-helixtrans-60.9-42.9-179.300000113.4F395 M396 S397 Y401 Q402 L403F395-G399 PolarHBondContact O-N 3.4Å; M396-G399 PolarHBondContact O-N 3.42Å; S397-G399 VanDerWaalsContact C-N 3.33Å; S397-G399 PolarHBondContact O-N 3Å; G399-Y401 PolarHBondContact O-N 2.66Å; G399-Q402 PolarHBondContact O-N 3.08Å; G399-L403 VanDerWaalsContact O-CB 3.32Å; G399-L403 WeakPolarHBondContact O-CB 3.08Å; G399-L403 PolarHBondContact O-N 2.89Å
400I98.2Very high97.7Very high47 Ų4745 Ų4524%0.24124%0.24CC..Hα-helixtrans-59.7-46.1175.4-71164.5000111M396 S397 I398 L403 R404 L414 L438M396-I400 HydrophobicContact CG-CD1 3.94Å; M396-I400 HydrophobicContact CG-CG1 4.49Å; M396-I400 VanDerWaalsContact O-CG1 3.25Å; M396-I400 WeakPolarHBondContact O-CG1 3.49Å; M396-I400 PolarHBondContact O-N 2.97Å; S397-I400 PolarHBondContact O-N 3.12Å; I398-I400 PolarHBondContact O-N 3.22Å; I400-L403 PolarHBondContact O-N 3.05Å; I400-R404 WeakPolarHBondContact O-CG 3.43Å; I400-R404 PolarHBondContact O-N 2.97Å; I400-R404 VanDerWaalsContact O-N 3.14Å; I400-L414 HydrophobicContact CG1-CD2 4.37Å; I400-L438 HydrophobicContact CD1-CD1 3.7Å; I400-L438 HydrophobicContact CG1-CD1 3.66Å; I400-L438 HydrophobicContact CG1-CD2 4.49Å
401Y98.6Very high97.7Very high40 Ų4050.2 Ų50.216%0.15726%0.257CS..Hα-helixtrans-72.2-38-177.8-56.1-37.9000112.1V366 L369 S397 I398 G399 R404 L405V366-Y401 HydrophobicContact CG1-CD1 4.14Å; V366-Y401 HydrophobicContact CG1-CG 4.31Å; V366-Y401 WeakPolarHBondContact CG1-O 3.31Å; L369-Y401 HydrophobicContact CB-CD1 4.11Å; L369-Y401 HydrophobicContact CB-CD2 3.83Å; L369-Y401 HydrophobicContact CB-CE1 3.95Å; L369-Y401 HydrophobicContact CB-CE2 3.66Å; L369-Y401 HydrophobicContact CB-CG 4.06Å; L369-Y401 HydrophobicContact CD1-CD1 4.3Å; L369-Y401 HydrophobicContact CD1-CE1 3.76Å; L369-Y401 HydrophobicContact CG-CE1 4.39Å; S397-Y401 WeakPolarHBondContact O-CD2 3.45Å; S397-Y401 VanDerWaalsContact O-CG 3.24Å; S397-Y401 PolarHBondContact O-N 2.78Å; I398-Y401 PolarHBondContact O-N 2.99Å; G399-Y401 PolarHBondContact O-N 2.66Å; Y401-R404 PolarHBondContact O-N 3.02Å; Y401-L405 WeakPolarHBondContact O-CG 3.27Å; Y401-L405 PolarHBondContact O-N 3.37Å; Y401-L405 VanDerWaalsContact O-N 3.16Å
402Q98.5Very high97.7Very high13 Ų1355 Ų556%0.06128%0.283CS..Hα-helixtrans-61.9-43.6172.4-76.3176.3-31.500111.9L370 I398 G399 R404 L405 G406 I407 E409 A410 N413L370-Q402 HydrophobicContact CD1-CG 3.79Å; L370-Q402 HydrophobicContact CD2-CG 3.85Å; I398-Q402 HydrophobicContact CG2-CG 4.25Å; I398-Q402 WeakPolarHBondContact O-CB 3.36Å; I398-Q402 WeakPolarHBondContact O-CG 3.43Å; I398-Q402 PolarHBondContact O-N 3.23Å; G399-Q402 PolarHBondContact O-N 3.08Å; Q402-R404 VanDerWaalsContact C-N 3.31Å; Q402-R404 PolarHBondContact O-N 3.4Å; Q402-L405 CarbonylContact O-C 3.57Å; Q402-L405 PolarHBondContact O-N 3.17Å; Q402-G406 PolarHBondContact O-N 3.17Å; Q402-I407 HydrophobicContact CB-CB 3.86Å; Q402-I407 HydrophobicContact CB-CG2 4.15Å; Q402-I407 HydrophobicContact CG-CB 4.06Å; Q402-I407 HydrophobicContact CG-CD1 4.23Å; Q402-I407 HydrophobicContact CG-CG2 3.92Å; Q402-I407 PolarHBondContact O-N 3.21Å; Q402-E409 VanDerWaalsContact OE1-C 3.31Å; Q402-E409 PolarHBondContact OE1-O 3.2Å; Q402-A410 HydrophobicContact CB-CB 3.63Å; Q402-N413 PolarHBondContact NE2-ND2 2.69Å; Q402-N413 PolarHBondContact OE1-ND2 2.87Å
403L97.4Very high97.8Very high99 Ų9956.3 Ų56.352%0.51829%0.29SS..Hα-helixtrans-59.1-44.8177.5-177.563.5000111.1G399 I400 L405 G406 A410G399-L403 VanDerWaalsContact O-CB 3.32Å; G399-L403 WeakPolarHBondContact O-CB 3.08Å; G399-L403 PolarHBondContact O-N 2.89Å; I400-L403 PolarHBondContact O-N 3.05Å; L403-L405 PolarHBondContact O-N 3.13Å; L403-G406 PolarHBondContact O-N 3.45Å; L403-G406 VanDerWaalsContact O-N 3.15Å; L403-A410 HydrophobicContact CB-CB 3.96Å
404R97.5Very high97.9Very high157 Ų15752 Ų5259%0.59227%0.273SS*.Hα-helixtrans-64.4-22.9176.4-79.2179.7142.9-154.5-5.2114.1P363 V366 I400 Y401 Q402P363-R404 PolarHBondContact O-NH1 3.03Å; P363-R404 VanDerWaalsContact O-NH1 3.15Å; V366-R404 HydrophobicContact CG1-CB 3.81Å; V366-R404 HydrophobicContact CG2-CB 4.34Å; I400-R404 WeakPolarHBondContact O-CG 3.43Å; I400-R404 PolarHBondContact O-N 2.97Å; I400-R404 VanDerWaalsContact O-N 3.14Å; Y401-R404 PolarHBondContact O-N 3.02Å; Q402-R404 VanDerWaalsContact C-N 3.31Å; Q402-R404 PolarHBondContact O-N 3.4Å
405L98Very high97.9Very high77 Ų7754 Ų5440%0.40328%0.284SS..THydrogen-bonded Turntrans-98.4-0176.8-67.2170.9000113.2V366 L370 Y401 Q402 L403 I407V366-L405 HydrophobicContact CB-CD2 4.22Å; V366-L405 HydrophobicContact CB-CG 4.29Å; V366-L405 HydrophobicContact CG1-CD1 4.03Å; V366-L405 HydrophobicContact CG1-CD2 4.24Å; V366-L405 HydrophobicContact CG1-CG 3.77Å; L370-L405 HydrophobicContact CB-CD1 4.36Å; L370-L405 HydrophobicContact CD2-CD1 3.7Å; Y401-L405 WeakPolarHBondContact O-CG 3.27Å; Y401-L405 PolarHBondContact O-N 3.37Å; Y401-L405 VanDerWaalsContact O-N 3.16Å; Q402-L405 CarbonylContact O-C 3.57Å; Q402-L405 PolarHBondContact O-N 3.17Å; L403-L405 PolarHBondContact O-N 3.13Å; L405-I407 VanDerWaalsContact C-N 3.31Å; L405-I407 HydrophobicContact CB-CD1 3.89Å; L405-I407 HydrophobicContact CB-CG1 3.99Å; L405-I407 HydrophobicContact CD1-CD1 4.09Å; L405-I407 PolarHBondContact O-N 3.3Å
406G97.1Very high97.8Very high66 Ų6655.2 Ų55.268%0.6829%0.293SS*.THydrogen-bonded Turntrans69.825-17700000114.3Q402 L403Q402-G406 PolarHBondContact O-N 3.17Å; L403-G406 PolarHBondContact O-N 3.45Å; L403-G406 VanDerWaalsContact O-N 3.15Å
407I97.8Very high97.8Very high54 Ų5454.9 Ų54.928%0.27729%0.292SS..  trans-84122.9-179.7-65.4172.2000109.4L370 Q402 L405 E409 A410L370-I407 HydrophobicContact CD2-CD1 3.62Å; Q402-I407 HydrophobicContact CB-CB 3.86Å; Q402-I407 HydrophobicContact CB-CG2 4.15Å; Q402-I407 HydrophobicContact CG-CB 4.06Å; Q402-I407 HydrophobicContact CG-CD1 4.23Å; Q402-I407 HydrophobicContact CG-CG2 3.92Å; Q402-I407 PolarHBondContact O-N 3.21Å; L405-I407 VanDerWaalsContact C-N 3.31Å; L405-I407 HydrophobicContact CB-CD1 3.89Å; L405-I407 HydrophobicContact CB-CG1 3.99Å; L405-I407 HydrophobicContact CD1-CD1 4.09Å; L405-I407 PolarHBondContact O-N 3.3Å; I407-E409 VanDerWaalsContact C-N 3.28Å; I407-E409 HydrophobicContact CG2-CB 4.28Å; I407-E409 WeakPolarHBondContact CG2-OE2 3.13Å; I407-E409 PolarHBondContact O-N 2.94Å; I407-A410 VanDerWaalsContact O-CB 3.26Å; I407-A410 WeakPolarHBondContact O-CB 3.34Å; I407-A410 PolarHBondContact O-N 2.99Å; I407-A410 VanDerWaalsContact O-N 3.13Å
408P95.2Very high97.9Very high109 Ų10955.4 Ų55.471%0.70829%0.293SS*.THydrogen-bonded Turntrans-57.7-34-173.8-27.435.4000115.3A410 K411P408-A410 PolarHBondContact O-N 3.5Å; P408-K411 PolarHBondContact O-N 2.93Å
409E97.1Very high97.8Very high98 Ų9860.7 Ų60.746%0.45832%0.321SS..THydrogen-bonded Turntrans-63.5-9.7-179.7-65.585164.800113.2Q402 I407 K411 D412 N413Q402-E409 VanDerWaalsContact OE1-C 3.31Å; Q402-E409 PolarHBondContact OE1-O 3.2Å; I407-E409 VanDerWaalsContact C-N 3.28Å; I407-E409 HydrophobicContact CG2-CB 4.28Å; I407-E409 WeakPolarHBondContact CG2-OE2 3.13Å; I407-E409 PolarHBondContact O-N 2.94Å; E409-K411 PolarHBondContact O-N 2.9Å; E409-D412 PolarHBondContact O-N 2.74Å; E409-N413 PolarHBondContact O-N 3.4Å; E409-N413 VanDerWaalsContact O-N 3.12Å; E409-N413 PolarHBondContact O-ND2 3.34Å
410A97.9Very high97.8Very high4 Ų462.1 Ų62.13%0.03333%0.327CS..Hα-helixtrans-50.6-45.6174.400000112.1Q402 L403 I407 P408 D412 N413 L414Q402-A410 HydrophobicContact CB-CB 3.63Å; L403-A410 HydrophobicContact CB-CB 3.96Å; I407-A410 VanDerWaalsContact O-CB 3.26Å; I407-A410 WeakPolarHBondContact O-CB 3.34Å; I407-A410 PolarHBondContact O-N 2.99Å; I407-A410 VanDerWaalsContact O-N 3.13Å; P408-A410 PolarHBondContact O-N 3.5Å; A410-D412 PolarHBondContact O-N 2.85Å; A410-N413 PolarHBondContact O-N 3.44Å; A410-L414 WeakPolarHBondContact O-CB 3.49Å; A410-L414 VanDerWaalsContact O-CG 3.28Å; A410-L414 WeakPolarHBondContact O-CG 3.14Å; A410-L414 PolarHBondContact O-N 2.87Å
411K97.1Very high97.7Very high141 Ų14159.9 Ų59.961%0.61332%0.315SS*.Hα-helixtrans-63.6-41.8-177.5-174.5175.1-178.8177.40111.6P408 E409 L414 N415P408-K411 PolarHBondContact O-N 2.93Å; E409-K411 PolarHBondContact O-N 2.9Å; K411-L414 PolarHBondContact O-N 3.4Å; K411-N415 WeakPolarHBondContact O-CB 3.18Å; K411-N415 VanDerWaalsContact O-CG 3.26Å; K411-N415 PolarHBondContact O-N 3.36Å; K411-N415 PolarHBondContact O-ND2 3.07Å; K411-N415 VanDerWaalsContact O-ND2 3.12Å
412D97.9Very high97.6Very high103 Ų10359.5 Ų59.555%0.55132%0.318SS*.Hα-helixtrans-68.2-40.3-179.2-65.4-25.1000111.5E409 A410 T416E409-D412 PolarHBondContact O-N 2.74Å; A410-D412 PolarHBondContact O-N 2.85Å; D412-T416 VanDerWaalsContact O-CB 3.26Å; D412-T416 WeakPolarHBondContact O-CB 3.32Å; D412-T416 PolarHBondContact O-N 3.28Å; D412-T416 PolarHBondContact O-OG1 3.39Å
413N98.3Very high97.5Very high27 Ų2760.8 Ų60.814%0.14432%0.323CS..Hα-helixtrans-69.3-39.2176.9-75.3-54.1000112.5F395 I398 Q402 E409 A410 T416 A417F395-N413 VanDerWaalsContact CD1-OD1 3.26Å; F395-N413 WeakPolarHBondContact CD1-OD1 3.38Å; I398-N413 HydrophobicContact CG2-CB 4.19Å; Q402-N413 PolarHBondContact NE2-ND2 2.69Å; Q402-N413 PolarHBondContact OE1-ND2 2.87Å; E409-N413 PolarHBondContact O-N 3.4Å; E409-N413 VanDerWaalsContact O-N 3.12Å; E409-N413 PolarHBondContact O-ND2 3.34Å; A410-N413 PolarHBondContact O-N 3.44Å; N413-T416 PolarHBondContact O-N 3.17Å; N413-A417 WeakPolarHBondContact O-CB 3.48Å; N413-A417 PolarHBondContact O-N 2.96Å
414L98.5Very high97.3Very high4 Ų456 Ų562%0.02130%0.299CS..Hα-helixtrans-66-44.4174.7-70.8172.1000112M396 I400 A410 K411 T416 A417 L418 L438M396-L414 HydrophobicContact CG-CD2 4.34Å; I400-L414 HydrophobicContact CG1-CD2 4.37Å; A410-L414 WeakPolarHBondContact O-CB 3.49Å; A410-L414 VanDerWaalsContact O-CG 3.28Å; A410-L414 WeakPolarHBondContact O-CG 3.14Å; A410-L414 PolarHBondContact O-N 2.87Å; K411-L414 PolarHBondContact O-N 3.4Å; L414-T416 VanDerWaalsContact C-N 3.34Å; L414-T416 PolarHBondContact O-N 3.46Å; L414-A417 WeakPolarHBondContact O-CB 3.18Å; L414-A417 PolarHBondContact O-N 3.5Å; L414-L418 WeakPolarHBondContact O-CB 3.38Å; L414-L418 PolarHBondContact O-N 3.27Å; L414-L438 HydrophobicContact CD1-CB 4.21Å; L414-L438 WeakPolarHBondContact CD1-O 3.48Å; L414-L438 HydrophobicContact CD2-CB 4.06Å; L414-L438 HydrophobicContact CD2-CD1 4.26Å
415N98.1Very high97.1Very high56 Ų5648.8 Ų48.830%0.29927%0.272SS..Hα-helixtrans-62.1-43.1174.5-73.8-32.5000111.6K411 A417 L418 D419K411-N415 WeakPolarHBondContact O-CB 3.18Å; K411-N415 VanDerWaalsContact O-CG 3.26Å; K411-N415 PolarHBondContact O-N 3.36Å; K411-N415 PolarHBondContact O-ND2 3.07Å; K411-N415 VanDerWaalsContact O-ND2 3.12Å; N415-A417 VanDerWaalsContact C-N 3.28Å; N415-A417 PolarHBondContact O-N 2.84Å; N415-L418 PolarHBondContact O-N 3.41Å; N415-D419 PolarHBondContact O-N 2.92Å
416T98Very high96.9Very high44 Ų4445.5 Ų45.527%0.2726%0.256SS..Hα-helixtrans-59.5-39.8175.5-64.40000111.9F395 D412 N413 L414 R420F395-T416 HydrophobicContact CD1-CG2 4.14Å; F395-T416 HydrophobicContact CD2-CG2 4.01Å; F395-T416 HydrophobicContact CE1-CG2 4.32Å; F395-T416 HydrophobicContact CE2-CG2 4.21Å; F395-T416 HydrophobicContact CG-CG2 3.98Å; F395-T416 HydrophobicContact CZ-CG2 4.36Å; D412-T416 VanDerWaalsContact O-CB 3.26Å; D412-T416 WeakPolarHBondContact O-CB 3.32Å; D412-T416 PolarHBondContact O-N 3.28Å; D412-T416 PolarHBondContact O-OG1 3.39Å; N413-T416 PolarHBondContact O-N 3.17Å; L414-T416 VanDerWaalsContact C-N 3.34Å; L414-T416 PolarHBondContact O-N 3.46Å; T416-R420 VanDerWaalsContact CG2-NE 3.33Å; T416-R420 WeakPolarHBondContact O-CD 3.43Å; T416-R420 VanDerWaalsContact O-CG 3.22Å; T416-R420 WeakPolarHBondContact O-CG 3.15Å; T416-R420 PolarHBondContact O-N 2.87Å
417A98.3Very high96.6Very high0 Ų047.6 Ų47.60%025%0.252CS..Hα-helixtrans-67.4-45.717500000111.9A392 F395 M396 N413 L414 N415 D419 R420 F421A392-A417 VanDerWaalsContact O-CB 3.24Å; A392-A417 WeakPolarHBondContact O-CB 3.3Å; F395-A417 HydrophobicContact CB-CB 3.93Å; M396-A417 HydrophobicContact CB-CB 3.79Å; N413-A417 WeakPolarHBondContact O-CB 3.48Å; N413-A417 PolarHBondContact O-N 2.96Å; L414-A417 WeakPolarHBondContact O-CB 3.18Å; L414-A417 PolarHBondContact O-N 3.5Å; N415-A417 VanDerWaalsContact C-N 3.28Å; N415-A417 PolarHBondContact O-N 2.84Å; A417-D419 PolarHBondContact O-N 2.85Å; A417-R420 PolarHBondContact O-N 3.42Å; A417-F421 HydrophobicContact CB-CE2 4.46Å; A417-F421 VanDerWaalsContact O-CD2 3.29Å; A417-F421 WeakPolarHBondContact O-CD2 3.35Å; A417-F421 PolarHBondContact O-N 3.47Å
418L98.3Very high96.3Very high23 Ų2350.1 Ų50.112%0.1227%0.274CS..Hα-helixtrans-60.1-45.3-179.9179.859.7000111.6L414 N415 R420 F421 C422 T432 C435 R436 C439L414-L418 WeakPolarHBondContact O-CB 3.38Å; L414-L418 PolarHBondContact O-N 3.27Å; N415-L418 PolarHBondContact O-N 3.41Å; L418-R420 VanDerWaalsContact C-N 3.32Å; L418-R420 PolarHBondContact O-N 3Å; L418-F421 PolarHBondContact O-N 3.05Å; L418-C422 WeakPolarHBondContact O-CB 3.34Å; L418-C422 PolarHBondContact O-N 3.03Å; L418-C422 PolarHBondContact O-SG 2.81Å; L418-T432 HydrophobicContact CD1-CG2 4.01Å; L418-C435 HydrophobicContact CD1-CB 4.41Å; L418-C435 PolarHBondContact N-SG 3Å; L418-R436 HydrophobicContact CD1-CB 3.85Å; L418-R436 HydrophobicContact CD1-CG 4.43Å; L418-R436 HydrophobicContact CD2-CB 4.43Å; L418-R436 HydrophobicContact CD2-CG 4.31Å; L418-C439 HydrophobicContact CD2-CB 4.34Å
419D97.8Very high96.1Very high112 Ų11245.9 Ų45.960%0.59925%0.245SC*.Hα-helixtrans-59.8-43.9177.5-75.1-16.5000111.4N415 A417 F423N415-D419 PolarHBondContact O-N 2.92Å; A417-D419 PolarHBondContact O-N 2.85Å; D419-F423 WeakPolarHBondContact O-CB 3.33Å; D419-F423 PolarHBondContact O-N 3.43Å
420R97.6Very high95.9Very high31 Ų3143.5 Ų43.512%0.11723%0.234CC..Hα-helixtrans-66.3-42.9178.8-68.6171.5-164.6-111.32.4111.6K386 A392 T416 A417 L418 F423 S424K386-R420 WeakPolarHBondContact O-CD 3.38Å; K386-R420 PolarHBondContact O-NH1 2.79Å; A392-R420 HydrophobicContact CB-CB 3.57Å; T416-R420 VanDerWaalsContact CG2-NE 3.33Å; T416-R420 WeakPolarHBondContact O-CD 3.43Å; T416-R420 VanDerWaalsContact O-CG 3.22Å; T416-R420 WeakPolarHBondContact O-CG 3.15Å; T416-R420 PolarHBondContact O-N 2.87Å; A417-R420 PolarHBondContact O-N 3.42Å; L418-R420 VanDerWaalsContact C-N 3.32Å; L418-R420 PolarHBondContact O-N 3Å; R420-F423 PolarHBondContact O-N 3.26Å; R420-S424 PolarHBondContact O-N 2.87Å; R420-S424 PolarHBondContact O-OG 3.46Å
421F96.8Very high95.7Very high0 Ų043.5 Ų43.50%023%0.233CC..Hα-helixtrans-65.8-45.4176.6-77.1-46.2000112.5P389 A392 Y393 M396 A417 L418 F423 S424 L425 G426 L431 T432 C435P389-F421 HydrophobicContact CB-CE1 4.42Å; A392-F421 HydrophobicContact CB-CD1 3.58Å; A392-F421 HydrophobicContact CB-CD2 4.08Å; A392-F421 HydrophobicContact CB-CE1 3.53Å; A392-F421 HydrophobicContact CB-CE2 4.02Å; A392-F421 HydrophobicContact CB-CG 3.87Å; A392-F421 HydrophobicContact CB-CZ 3.77Å; Y393-F421 HydrophobicContact CD2-CZ 4.42Å; M396-F421 HydrophobicContact CB-CE2 4.24Å; M396-F421 HydrophobicContact CE-CE2 4.48Å; M396-F421 HydrophobicContact SD-CE2 3.86Å; A417-F421 HydrophobicContact CB-CE2 4.46Å; A417-F421 VanDerWaalsContact O-CD2 3.29Å; A417-F421 WeakPolarHBondContact O-CD2 3.35Å; A417-F421 PolarHBondContact O-N 3.47Å; L418-F421 PolarHBondContact O-N 3.05Å; F421-F423 PolarHBondContact O-N 3.04Å; F421-S424 PolarHBondContact O-N 3.22Å; F421-L425 HydrophobicContact CD1-CD1 3.47Å; F421-L425 VanDerWaalsContact CD1-CD1 3.47Å; F421-L425 HydrophobicContact CD1-CG 4.23Å; F421-L425 HydrophobicContact CE1-CD1 3.92Å; F421-L425 HydrophobicContact CG-CD1 4.45Å; F421-L425 WeakPolarHBondContact O-CA 3.19Å; F421-L425 WeakPolarHBondContact O-CB 3.39Å; F421-L425 PolarHBondContact O-N 2.77Å; F421-G426 PolarHBondContact O-N 3.06Å; F421-L431 HydrophobicContact CD1-CB 4.33Å; F421-L431 HydrophobicContact CE1-CB 4.04Å; F421-L431 HydrophobicContact CE1-CD1 3.86Å; F421-L431 HydrophobicContact CZ-CB 4.14Å; F421-L431 HydrophobicContact CZ-CD1 4.17Å; F421-T432 HydrophobicContact CB-CG2 4.21Å; F421-T432 WeakPolarHBondContact CB-OG1 3.47Å; F421-C435 HydrophobicContact CD2-CB 3.79Å; F421-C435 HydrophobicContact CE2-CB 4.09Å
422C96.1Very high95.6Very high31 Ų3136.8 Ų36.821%0.20920%0.204CC..Hα-helixtrans-56-39.3174.8-69.60000111.2L418 G426 T432L418-C422 WeakPolarHBondContact O-CB 3.34Å; L418-C422 PolarHBondContact O-N 3.03Å; L418-C422 PolarHBondContact O-SG 2.81Å; C422-G426 WeakPolarHBondContact O-CA 3.41Å; C422-G426 PolarHBondContact O-N 2.87Å; C422-T432 HydrophobicContact CB-CG2 4.47Å; C422-T432 WeakPolarHBondContact SG-CG2 3.43Å
423F95.9Very high95.5Very high40 Ų4035.4 Ų35.418%0.17520%0.197CC..Hα-helixtrans-68.2-57.1177.8-166.9-80.2000112.5P213 L214 N387 D419 R420 F421P213-F423 HydrophobicContact CG-CE1 4.36Å; P213-F423 VanDerWaalsContact O-CE1 3.31Å; P213-F423 WeakPolarHBondContact O-CE1 3.35Å; L214-F423 VanDerWaalsContact C-CE1 3.41Å; N387-F423 HydrophobicContact CB-CB 4.24Å; N387-F423 HydrophobicContact CB-CD1 3.62Å; N387-F423 HydrophobicContact CB-CE1 4.35Å; N387-F423 HydrophobicContact CB-CG 4.1Å; N387-F423 WeakPolarHBondContact ND2-CD1 3.5Å; D419-F423 WeakPolarHBondContact O-CB 3.33Å; D419-F423 PolarHBondContact O-N 3.43Å; R420-F423 PolarHBondContact O-N 3.26Å; F421-F423 PolarHBondContact O-N 3.04Å
424S94.6Very high95.3Very high0 Ų038.2 Ų38.20%021%0.209CC..Hα-helixtrans-90.3-22.2-167.158.60000115.2R212 N387 R420 F421R212-S424 WeakPolarHBondContact CB-O 3.25Å; R212-S424 WeakPolarHBondContact CD-O 3.38Å; N387-S424 WeakPolarHBondContact O-CB 3.36Å; N387-S424 PolarHBondContact O-OG 3.32Å; R420-S424 PolarHBondContact O-N 2.87Å; R420-S424 PolarHBondContact O-OG 3.46Å; F421-S424 PolarHBondContact O-N 3.22Å
425L93.7Very high95.2Very high5 Ų538 Ų383%0.02621%0.208CC..THydrogen-bonded Turntrans-112.8-24.4-179.8-58.6-176.4000112.6T203 R212 P389 F421 H429 L431T203-L425 HydrophobicContact CG2-CD2 3.57Å; R212-L425 PolarHBondContact NE-O 2.81Å; P389-L425 HydrophobicContact CB-CD1 4.29Å; P389-L425 HydrophobicContact CB-CD2 4.24Å; P389-L425 HydrophobicContact CB-CG 4.41Å; P389-L425 HydrophobicContact CG-CD1 4.42Å; P389-L425 HydrophobicContact CG-CD2 3.61Å; P389-L425 HydrophobicContact CG-CG 4.01Å; F421-L425 HydrophobicContact CD1-CD1 3.47Å; F421-L425 VanDerWaalsContact CD1-CD1 3.47Å; F421-L425 HydrophobicContact CD1-CG 4.23Å; F421-L425 HydrophobicContact CE1-CD1 3.92Å; F421-L425 HydrophobicContact CG-CD1 4.45Å; F421-L425 WeakPolarHBondContact O-CA 3.19Å; F421-L425 WeakPolarHBondContact O-CB 3.39Å; F421-L425 PolarHBondContact O-N 2.77Å; L425-H429 HydrophobicContact CB-CB 3.64Å; L425-L431 HydrophobicContact CD1-CB 4.13Å; L425-L431 HydrophobicContact CD1-CD1 4.11Å
426G92.1Very high95.2Very high8 Ų839.3 Ų39.38%0.08221%0.209CC..  trans88.6161.4-17800000113.2F421 C422 S428 H429 T432F421-G426 PolarHBondContact O-N 3.06Å; C422-G426 WeakPolarHBondContact O-CA 3.41Å; C422-G426 PolarHBondContact O-N 2.87Å; G426-S428 PolarHBondContact O-N 3.33Å; G426-S428 VanDerWaalsContact O-N 3.1Å; G426-H429 PolarHBondContact O-N 3.43Å; G426-T432 PolarHBondContact O-OG1 3.22Å; G426-T432 VanDerWaalsContact O-OG1 3.07Å
427N92.3Very high95.1Very high110 Ų11040.7 Ų40.759%0.58822%0.224SC*.THydrogen-bonded Turntrans-63.7-21.1-167.6-70.3-35000116.1D433 R436N427-D433 VanDerWaalsContact O-OD1 3.13Å; N427-R436 PolarHBondContact O-NH1 3.36Å; N427-R436 PolarHBondContact O-NH2 3.38Å
428S89.8Confident94.9Very high106 Ų10643.5 Ų43.574%0.74124%0.239SC*.THydrogen-bonded Turntrans-105.28.7-175.964.80000113.4G426G426-S428 PolarHBondContact O-N 3.33Å; G426-S428 VanDerWaalsContact O-N 3.1Å
429H92.6Very high94.5Very high21 Ų2144.1 Ų44.110%0.09725%0.245CC..SBendtrans-78140.8176.8-170.3-76.1000109.7L175 L425 G426 L431 T432 D433L175-H429 PolarHBondContact O-CE1 3.45Å; L175-H429 PolarHBondContact O-NE2 3.46Å; L425-H429 HydrophobicContact CB-CB 3.64Å; G426-H429 PolarHBondContact O-N 3.43Å; H429-L431 PolarHBondContact ND1-N 2.98Å; H429-L431 PolarHBondContact O-N 2.75Å; H429-T432 WeakPolarHBondContact O-CA 3.13Å; H429-T432 VanDerWaalsContact O-CB 3.24Å; H429-T432 WeakPolarHBondContact O-CB 3.44Å; H429-T432 PolarHBondContact O-N 3.14Å; H429-D433 PolarHBondContact O-N 3.12Å
430E91.4Very high93.8Very high48 Ų4847.3 Ų47.322%0.22427%0.268CS..Hα-helixtrans-52.5-49.5-175.9175.6170.817900113.5R36 L175 T432 D433 Q434R36-E430 IonicContact CZ-OE2 3.53Å; R36-E430 IonicContact NH1-OE2 3.71Å; R36-E430 VanDerWaalsContact NH2-CD 3.26Å; R36-E430 IonicContact NH2-OE1 3.39Å; R36-E430 PolarHBondContact NH2-OE1 3.3Å; R36-E430 VanDerWaalsContact NH2-OE1 3.13Å; R36-E430 IonicContact NH2-OE2 2.85Å; R36-E430 PolarHBondContact NH2-OE2 3Å; L175-E430 WeakPolarHBondContact CD2-OE2 3.4Å; E430-T432 PolarHBondContact O-N 2.88Å; E430-D433 PolarHBondContact O-N 3.4Å; E430-Q434 HydrophobicContact CG-CG 4.47Å; E430-Q434 VanDerWaalsContact CG-NE2 3.35Å; E430-Q434 WeakPolarHBondContact O-CG 3.37Å; E430-Q434 PolarHBondContact O-N 2.88Å; E430-Q434 PolarHBondContact OE1-NE2 2.97Å
431L93.7Very high93.6Very high4 Ų448.1 Ų48.12%0.02128%0.275CS..Hα-helixtrans-59-32.7174.2-69.9-177.8000113.9S176 Y393 F421 L425 H429 C435S176-L431 WeakPolarHBondContact O-CD1 3.22Å; Y393-L431 HydrophobicContact CD2-CD2 4.33Å; Y393-L431 HydrophobicContact CE2-CD2 4.38Å; F421-L431 HydrophobicContact CD1-CB 4.33Å; F421-L431 HydrophobicContact CE1-CB 4.04Å; F421-L431 HydrophobicContact CE1-CD1 3.86Å; F421-L431 HydrophobicContact CZ-CB 4.14Å; F421-L431 HydrophobicContact CZ-CD1 4.17Å; L425-L431 HydrophobicContact CD1-CB 4.13Å; L425-L431 HydrophobicContact CD1-CD1 4.11Å; H429-L431 PolarHBondContact ND1-N 2.98Å; H429-L431 PolarHBondContact O-N 2.75Å; L431-C435 VanDerWaalsContact O-CB 3.28Å; L431-C435 WeakPolarHBondContact O-CB 3.27Å; L431-C435 PolarHBondContact O-N 3.34Å
432T95.9Very high93.4Very high0 Ų050.6 Ų50.60%029%0.29CS..Hα-helixtrans-70.2-43.3177.1-520000110.1L418 F421 C422 G426 H429 E430 C435 R436L418-T432 HydrophobicContact CD1-CG2 4.01Å; F421-T432 HydrophobicContact CB-CG2 4.21Å; F421-T432 WeakPolarHBondContact CB-OG1 3.47Å; C422-T432 HydrophobicContact CB-CG2 4.47Å; C422-T432 WeakPolarHBondContact SG-CG2 3.43Å; G426-T432 PolarHBondContact O-OG1 3.22Å; G426-T432 VanDerWaalsContact O-OG1 3.07Å; H429-T432 WeakPolarHBondContact O-CA 3.13Å; H429-T432 VanDerWaalsContact O-CB 3.24Å; H429-T432 WeakPolarHBondContact O-CB 3.44Å; H429-T432 PolarHBondContact O-N 3.14Å; E430-T432 PolarHBondContact O-N 2.88Å; T432-C435 PolarHBondContact O-N 2.84Å; T432-R436 WeakPolarHBondContact O-CB 3.18Å; T432-R436 PolarHBondContact O-N 3.39Å
433D94.9Very high93.3Very high73 Ų7351.7 Ų51.739%0.3929%0.294SS..Hα-helixtrans-65.2-42.7177.2-67.4-25.7000111.8N427 H429 E430 R436 A437N427-D433 VanDerWaalsContact O-OD1 3.13Å; H429-D433 PolarHBondContact O-N 3.12Å; E430-D433 PolarHBondContact O-N 3.4Å; D433-R436 PolarHBondContact O-N 2.71Å; D433-R436 IonicContact OD1-CZ 3.67Å; D433-R436 IonicContact OD1-NH1 3.71Å; D433-R436 PolarHBondContact OD1-NH1 3.04Å; D433-A437 PolarHBondContact O-N 3.06Å
434Q94.4Very high93.1Very high87 Ų8752.4 Ų52.441%0.40730%0.301SS..Hα-helixtrans-59.7-47.1174.1-72177.414.400111.5E430 R436 A437 L438E430-Q434 HydrophobicContact CG-CG 4.47Å; E430-Q434 VanDerWaalsContact CG-NE2 3.35Å; E430-Q434 WeakPolarHBondContact O-CG 3.37Å; E430-Q434 PolarHBondContact O-N 2.88Å; E430-Q434 PolarHBondContact OE1-NE2 2.97Å; Q434-R436 PolarHBondContact O-N 3.22Å; Q434-A437 PolarHBondContact O-N 2.91Å; Q434-L438 WeakPolarHBondContact O-CG 3.37Å; Q434-L438 PolarHBondContact O-N 2.79Å
435C96.8Very high93Very high0 Ų055.7 Ų55.70%032%0.32CS..Hα-helixtrans-64.7-40.1178.2-171.30000111.9M396 L418 F421 L431 T432 A437 L438 C439M396-C435 HydrophobicContact SD-CB 3.8Å; L418-C435 HydrophobicContact CD1-CB 4.41Å; L418-C435 PolarHBondContact N-SG 3Å; F421-C435 HydrophobicContact CD2-CB 3.79Å; F421-C435 HydrophobicContact CE2-CB 4.09Å; L431-C435 VanDerWaalsContact O-CB 3.28Å; L431-C435 WeakPolarHBondContact O-CB 3.27Å; L431-C435 PolarHBondContact O-N 3.34Å; T432-C435 PolarHBondContact O-N 2.84Å; C435-A437 VanDerWaalsContact C-N 3.33Å; C435-A437 PolarHBondContact O-N 3.24Å; C435-L438 WeakPolarHBondContact O-CB 3.24Å; C435-L438 PolarHBondContact O-N 3.31Å; C435-L438 VanDerWaalsContact O-N 3.1Å; C435-C439 PolarHBondContact O-N 3.08Å; C435-C439 PolarHBondContact O-SG 2.88Å
436R97.1Very high93Very high83 Ų8359.1 Ų59.131%0.31334%0.34SS..Hα-helixtrans-61.3-41.4177.3-167.6179.3-58.6112.2-0.5111.9L418 N427 T432 D433 Q434 L438 C439L418-R436 HydrophobicContact CD1-CB 3.85Å; L418-R436 HydrophobicContact CD1-CG 4.43Å; L418-R436 HydrophobicContact CD2-CB 4.43Å; L418-R436 HydrophobicContact CD2-CG 4.31Å; N427-R436 PolarHBondContact O-NH1 3.36Å; N427-R436 PolarHBondContact O-NH2 3.38Å; T432-R436 WeakPolarHBondContact O-CB 3.18Å; T432-R436 PolarHBondContact O-N 3.39Å; D433-R436 PolarHBondContact O-N 2.71Å; D433-R436 IonicContact OD1-CZ 3.67Å; D433-R436 IonicContact OD1-NH1 3.71Å; D433-R436 PolarHBondContact OD1-NH1 3.04Å; Q434-R436 PolarHBondContact O-N 3.22Å; R436-L438 PolarHBondContact O-N 2.85Å; R436-C439 PolarHBondContact O-N 3.45Å; R436-C439 VanDerWaalsContact O-N 3.1Å
437A96.3Very high93Very high72 Ų7262.7 Ų62.760%0.59536%0.358SS*.Hα-helixtrans-63.6-21.9177.300000113.5D433 Q434 C435D433-A437 PolarHBondContact O-N 3.06Å; Q434-A437 PolarHBondContact O-N 2.91Å; C435-A437 VanDerWaalsContact C-N 3.33Å; C435-A437 PolarHBondContact O-N 3.24Å
438L94.8Very high93.1Very high60 Ų6059.1 Ų59.131%0.31434%0.34SS..Hα-helixtrans-86.2-17.9175.7-63.8166.2000113.2M396 I400 L414 Q434 C435 R436M396-L438 HydrophobicContact CG-CD1 4.19Å; M396-L438 HydrophobicContact SD-CD1 4.34Å; I400-L438 HydrophobicContact CD1-CD1 3.7Å; I400-L438 HydrophobicContact CG1-CD1 3.66Å; I400-L438 HydrophobicContact CG1-CD2 4.49Å; L414-L438 HydrophobicContact CD1-CB 4.21Å; L414-L438 WeakPolarHBondContact CD1-O 3.48Å; L414-L438 HydrophobicContact CD2-CB 4.06Å; L414-L438 HydrophobicContact CD2-CD1 4.26Å; Q434-L438 WeakPolarHBondContact O-CG 3.37Å; Q434-L438 PolarHBondContact O-N 2.79Å; C435-L438 WeakPolarHBondContact O-CB 3.24Å; C435-L438 PolarHBondContact O-N 3.31Å; C435-L438 VanDerWaalsContact O-N 3.1Å; R436-L438 PolarHBondContact O-N 2.85Å
439C90.1Very high93.4Very high36 Ų3655.2 Ų55.224%0.24331%0.307CS..Hα-helixtrans-86.7-13-178.7-61.40000113.4L418 C435 R436L418-C439 HydrophobicContact CD2-CB 4.34Å; C435-C439 PolarHBondContact O-N 3.08Å; C435-C439 PolarHBondContact O-SG 2.88Å; R436-C439 PolarHBondContact O-N 3.45Å; R436-C439 VanDerWaalsContact O-N 3.1Å
440V82.2Confident93.4Very high178 Ų17858.3 Ų58.3100%1.07933%0.326SS*.  trans-82.90175.1-176.80000109

Retrieved 440 of 440 residues in 93.4 ms (Link to these results)

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