A0A077ZG02_TRITR Loading...

Deoxyribonuclease TATDN1

Deoxyribonuclease which catalyzes (in vitro) the decatenation of kinetoplast DNA, which are circular DNA catenated to each other, producing linear DNA molecules. Plays an important role in chromosomal segregation and cell cycle progression during eye development probably via its DNA decatenation activity.

AlphaFold DB , UniProt , Accession A0A077ZG02, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 294 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
1M38.9Very low70.1Confident242 Ų24278.6 Ų78.6100%1.19248%0.479SS*.  01230-101171.7164.200106.5L3M1-L3 PolarHBondContact O-N 2.84Å
2A45.3Very low72.5Confident103 Ų10372.1 Ų72.185%0.85144%0.439SS*.PPolyproline II helixtrans-60.6127.1166.100000107S4A2-S4 PolarHBondContact O-N 3.04Å
3L51Low74.5Confident96 Ų9666.5 Ų66.550%0.50341%0.405SS..PPolyproline II helixtrans-57.3130168.7-73.9159.7000106.6M1 F244M1-L3 PolarHBondContact O-N 2.84Å; L3-F244 HydrophobicContact CD1-CZ 4.24Å; L3-F244 HydrophobicContact CD2-CE2 4.38Å; L3-F244 HydrophobicContact CD2-CZ 4.44Å
4S54.4Low76.3Confident79 Ų7961.8 Ų61.855%0.55238%0.376SS*.PPolyproline II helixtrans-56.3148.7169.755.60000108.5A2 A6A2-S4 PolarHBondContact O-N 3.04Å; S4-A6 PolarHBondContact O-N 3.13Å
5A62.1Low77.8Confident92 Ų9257.7 Ų57.776%0.7635%0.351SS*.PPolyproline II helixtrans-47.7137.3169.400000109.4
6A63.6Low79Confident39 Ų3955.2 Ų55.232%0.32234%0.335SS..PPolyproline II helixtrans-55.7130-178.600000109.4S4 Y8 G38S4-A6 PolarHBondContact O-N 3.13Å; A6-Y8 PolarHBondContact O-N 3.15Å; A6-G38 VanDerWaalsContact CB-CA 3.46Å
7P78.3Confident80.2Confident57 Ų5752.1 Ų52.137%0.3732%0.316SS..SBendtrans-69.2-22.2-172.726.1-33.5000112.5
8Y87.3Confident81Confident32 Ų3251.8 Ų51.813%0.12531%0.314CS..  trans-136.2156.1-175.6-32.8-65.5000111.8A6 G38 E264 P274 D275 A278A6-Y8 PolarHBondContact O-N 3.15Å; Y8-G38 WeakPolarHBondContact O-CA 3.42Å; Y8-E264 HydrophobicContact CE2-CG 4.44Å; Y8-P274 HydrophobicContact CE1-CB 4.05Å; Y8-P274 HydrophobicContact CE2-CB 4.31Å; Y8-P274 VanDerWaalsContact OH-CB 3.22Å; Y8-P274 WeakPolarHBondContact OH-CB 3.33Å; Y8-D275 WeakPolarHBondContact CD1-OD1 3.19Å; Y8-D275 HydrophobicContact CE1-CB 4.48Å; Y8-D275 WeakPolarHBondContact CE1-OD1 3.4Å; Y8-A278 HydrophobicContact CD1-CB 3.93Å; Y8-A278 HydrophobicContact CD2-CB 4.43Å; Y8-A278 HydrophobicContact CG-CB 3.74Å
9Q93.2Very high81.6Confident123 Ų12350 Ų5058%0.57531%0.308SS*.  trans-100.5123162.8-64.9-172.7-38.800108.4G38 C40 T282 F293Q9-G38 CarbonylContact C-O 3.51Å; Q9-G38 WeakPolarHBondContact CA-O 3.41Å; Q9-C40 VanDerWaalsContact CB-SG 3.59Å; Q9-T282 PolarHBondContact O-OG1 3.33Å; Q9-F293 HydrophobicContact CB-CE1 4.41Å
10L98.3Very high82.1Confident0 Ų054.4 Ų54.40%034%0.337CS..EExtended strand (participates in β ladder)trans-124.3151.6-173.2-58176.5000111.9G38 C40 K41 L259 P260 V263 A278L10-G38 PolarHBondContact N-O 2.83Å; L10-C40 PolarHBondContact O-N 3.07Å; L10-K41 PolarHBondContact O-N 2.88Å; L10-L259 HydrophobicContact CB-CD2 3.77Å; L10-L259 HydrophobicContact CD1-CB 4.37Å; L10-L259 HydrophobicContact CD1-CD2 4.22Å; L10-L259 HydrophobicContact CD1-CG 4.18Å; L10-P260 HydrophobicContact CD1-CB 4.27Å; L10-P260 HydrophobicContact CD1-CG 3.86Å; L10-V263 HydrophobicContact CD1-CG2 4.08Å; L10-V263 HydrophobicContact CD2-CG2 3.87Å; L10-A278 HydrophobicContact CD2-CB 3.55Å
11V98.7Very high82.6Confident2 Ų253.1 Ų53.11%0.01233%0.332CS..EExtended strand (participates in β ladder)trans-114121.9168.9176.90000108.3I13 K41 T282 A285 L291 F293V11-I13 HydrophobicContact CG1-CG2 4.11Å; V11-K41 WeakPolarHBondContact CA-O 3.24Å; V11-K41 HydrophobicContact CG1-CB 4.18Å; V11-K41 HydrophobicContact CG2-CB 4.06Å; V11-K41 HydrophobicContact CG2-CG 4.16Å; V11-T282 HydrophobicContact CG2-CG2 4.06Å; V11-A285 HydrophobicContact CB-CB 3.82Å; V11-A285 HydrophobicContact CG1-CB 3.76Å; V11-A285 HydrophobicContact CG2-CB 4.2Å; V11-L291 HydrophobicContact CB-CD1 4.49Å; V11-L291 HydrophobicContact CG1-CD1 3.63Å; V11-L291 HydrophobicContact CG2-CD1 4.05Å; V11-F293 HydrophobicContact CG2-CE2 4.19Å; V11-F293 HydrophobicContact CG2-CZ 3.94Å
12D98.9Very high85.3Confident0 Ų042.2 Ų42.20%028%0.278CS..EExtended strand (participates in β ladder)trans-85109.1168.6-167-14.9000108.5G14 V39 K41 I42 I43 E214 T215 L259D12-G14 VanDerWaalsContact C-N 3.26Å; D12-G14 PolarHBondContact O-N 3.2Å; D12-G14 PolarHBondContact OD1-N 2.74Å; D12-V39 HydrophobicContact CB-CG1 4.04Å; D12-K41 PolarHBondContact N-O 3.44Å; D12-I42 HydrophobicContact CB-CB 4.38Å; D12-I42 HydrophobicContact CB-CG1 4.07Å; D12-I42 HydrophobicContact CB-CG2 4.2Å; D12-I42 CarbonylContact O-C 3.5Å; D12-I42 WeakPolarHBondContact O-CA 3.09Å; D12-I43 PolarHBondContact O-N 3.27Å; D12-E214 WeakPolarHBondContact OD1-CA 3.38Å; D12-T215 PolarHBondContact OD1-N 3.16Å; D12-T215 WeakPolarHBondContact OD2-CB 2.96Å; D12-T215 VanDerWaalsContact OD2-CG2 3.3Å; D12-T215 WeakPolarHBondContact OD2-CG2 3.46Å; D12-T215 PolarHBondContact OD2-OG1 2.93Å; D12-L259 HydrophobicContact CB-CD2 3.85Å
13I98.9Very high87.3Confident0 Ų041 Ų410%026%0.257CS..EExtended strand (participates in β ladder)trans-80.8-4.3-174.471.9159.2000114V11 I43 F136 V161 L212 V213 E214 A285 F289V11-I13 HydrophobicContact CG1-CG2 4.11Å; I13-I43 HydrophobicContact CB-CD1 4.26Å; I13-I43 HydrophobicContact CG2-CD1 4.5Å; I13-I43 WeakPolarHBondContact O-CB 3.39Å; I13-F136 HydrophobicContact CB-CE2 4.48Å; I13-F136 HydrophobicContact CD1-CD2 4.45Å; I13-F136 HydrophobicContact CD1-CE2 3.76Å; I13-F136 HydrophobicContact CG1-CE2 3.99Å; I13-F136 VanDerWaalsContact O-CE2 3.29Å; I13-F136 WeakPolarHBondContact O-CE2 3.4Å; I13-V161 HydrophobicContact CD1-CG1 3.7Å; I13-L212 HydrophobicContact CD1-CB 3.57Å; I13-L212 HydrophobicContact CD1-CD1 3.82Å; I13-L212 HydrophobicContact CD1-CG 4.25Å; I13-L212 HydrophobicContact CG1-CB 4.34Å; I13-L212 HydrophobicContact CG2-CB 4.35Å; I13-L212 HydrophobicContact CG2-CD2 4.26Å; I13-V213 PolarHBondContact N-O 3.38Å; I13-E214 HydrophobicContact CG1-CB 3.66Å; I13-E214 HydrophobicContact CG1-CG 4.45Å; I13-A285 HydrophobicContact CG2-CB 3.96Å; I13-F289 HydrophobicContact CB-CE2 4.02Å; I13-F289 HydrophobicContact CB-CZ 4.47Å; I13-F289 HydrophobicContact CG2-CD2 4.42Å; I13-F289 HydrophobicContact CG2-CE2 3.78Å
14G98.7Very high88.8Confident0 Ų044 Ų440%027%0.274CS..EExtended strand (participates in β ladder)trans-162.1107.3-176.900000112.5D12 D216D12-G14 VanDerWaalsContact C-N 3.26Å; D12-G14 PolarHBondContact O-N 3.2Å; D12-G14 PolarHBondContact OD1-N 2.74Å; G14-D216 VanDerWaalsContact O-CA 3.23Å; G14-D216 WeakPolarHBondContact O-CA 3.44Å; G14-D216 PolarHBondContact O-N 3.14Å
15A98.8Very high90.2Very high0 Ų051.7 Ų51.70%029%0.291CS..EExtended strand (participates in β ladder)trans-139.6131.217100000111.4L17 I42 I43 V44 T45 A217 P256A15-L17 HydrophobicContact CB-CD2 4.14Å; A15-L17 HydrophobicContact CB-CG 3.94Å; A15-L17 PolarHBondContact O-N 2.61Å; A15-I42 HydrophobicContact CB-CG2 3.75Å; A15-I43 PolarHBondContact N-O 3.02Å; A15-V44 WeakPolarHBondContact O-CA 3.32Å; A15-T45 PolarHBondContact N-OG1 3.2Å; A15-T45 PolarHBondContact O-N 2.99Å; A15-A217 HydrophobicContact CB-CB 4.41Å; A15-P256 HydrophobicContact CB-CG 4.36Å
16N98.2Very high91.6Very high18 Ų1849 Ų4910%0.09626%0.263CS..  trans-83.755.4-178.6-58.1-83.3000111.6T18 G19 D216 A217N16-T18 PolarHBondContact O-N 3.43Å; N16-G19 PolarHBondContact O-N 3.33Å; N16-D216 PolarHBondContact ND2-OD1 2.91Å; N16-A217 WeakPolarHBondContact CA-O 3.35Å; N16-A217 VanDerWaalsContact CB-O 3.25Å; N16-A217 WeakPolarHBondContact CB-O 2.96Å; N16-A217 PolarHBondContact N-O 3.05Å; N16-A217 PolarHBondContact ND2-O 2.79Å
17L98.3Very high93.1Very high3 Ų347.6 Ų47.62%0.01625%0.25CS..THydrogen-bonded Turntrans-68.2-13.4-172-64.1-173.5000115.1A15 F22 L27 L31 I42 V44 L58 L66 P256A15-L17 HydrophobicContact CB-CD2 4.14Å; A15-L17 HydrophobicContact CB-CG 3.94Å; A15-L17 PolarHBondContact O-N 2.61Å; L17-F22 HydrophobicContact CD2-CD2 4.01Å; L17-F22 HydrophobicContact CD2-CE2 3.9Å; L17-F22 HydrophobicContact CD2-CG 4.4Å; L17-F22 HydrophobicContact CD2-CZ 4.22Å; L17-L27 HydrophobicContact CB-CD1 4.4Å; L17-L31 HydrophobicContact CD1-CD2 3.75Å; L17-I42 HydrophobicContact CD1-CD1 4.42Å; L17-I42 HydrophobicContact CD1-CG2 4.01Å; L17-V44 HydrophobicContact CB-CG1 4.25Å; L17-V44 HydrophobicContact CB-CG2 4.38Å; L17-V44 HydrophobicContact CD1-CG2 4.16Å; L17-L58 HydrophobicContact CB-CD2 3.99Å; L17-L66 HydrophobicContact CD1-CD2 4.37Å; L17-P256 HydrophobicContact CD2-CG 4Å
18T96Very high94Very high46 Ų4652 Ų5228%0.28227%0.266SS..THydrogen-bonded Turntrans-93.3-2.7174.351.50000112.8N16 V44 E54 A55 L58N16-T18 PolarHBondContact O-N 3.43Å; T18-V44 HydrophobicContact CG2-CG1 4.05Å; T18-E54 HydrophobicContact CG2-CB 4Å; T18-A55 HydrophobicContact CG2-CB 4.24Å; T18-L58 HydrophobicContact CG2-CD2 4.16Å
19G91.2Very high94.5Very high18 Ų1852.9 Ų52.919%0.18628%0.28CS..SBendtrans-73.4162176.200000112.7N16 A21 F22N16-G19 PolarHBondContact O-N 3.33Å; G19-A21 PolarHBondContact O-N 3.33Å; G19-F22 PolarHBondContact O-N 3.09Å; G19-F22 VanDerWaalsContact O-N 3.08Å
20P91.5Very high94.7Very high138 Ų13847 Ų4790%0.89625%0.252SS*.THydrogen-bonded Turntrans-64.9-13.3-172.826.8-36.3000114.9F22P20-F22 PolarHBondContact O-N 3.22Å
21A93.9Very high94.7Very high28 Ų2847.1 Ų47.123%0.23125%0.253CS..THydrogen-bonded Turntrans-69.7-19.9175.400000113G19 P218 R253G19-A21 PolarHBondContact O-N 3.33Å; A21-P218 HydrophobicContact CB-CB 3.54Å; A21-P218 HydrophobicContact CB-CG 3.55Å; A21-R253 PolarHBondContact O-NH1 3.16Å
22F94.3Very high94.7Very high12 Ų1248.2 Ų48.25%0.05327%0.265CS..SBendtrans-118.9134.6177.7-55-67.4000108.8L17 G19 P20 L27 V30 A217 P218 R253 N254 E255L17-F22 HydrophobicContact CD2-CD2 4.01Å; L17-F22 HydrophobicContact CD2-CE2 3.9Å; L17-F22 HydrophobicContact CD2-CG 4.4Å; L17-F22 HydrophobicContact CD2-CZ 4.22Å; G19-F22 PolarHBondContact O-N 3.09Å; G19-F22 VanDerWaalsContact O-N 3.08Å; P20-F22 PolarHBondContact O-N 3.22Å; F22-L27 HydrophobicContact CB-CD1 4.39Å; F22-V30 HydrophobicContact CD1-CG1 4.31Å; F22-V30 HydrophobicContact CD1-CG2 4.01Å; F22-V30 HydrophobicContact CE1-CG1 4.1Å; F22-V30 HydrophobicContact CE1-CG2 4.27Å; F22-A217 HydrophobicContact CE2-CB 4.33Å; F22-A217 HydrophobicContact CZ-CB 4Å; F22-P218 HydrophobicContact CE2-CB 3.95Å; F22-P218 HydrophobicContact CE2-CG 4.36Å; F22-P218 HydrophobicContact CZ-CB 3.97Å; F22-R253 HydrophobicContact CE1-CG 4.37Å; F22-N254 WeakPolarHBondContact CZ-O 3.46Å; F22-E255 HydrophobicContact CE1-CG 4.24Å
23N87.1Confident94.6Very high78 Ų7850.1 Ų50.142%0.41727%0.272SS..  trans-128.1164.5178.96673.1000110.5R25 D26 L27N23-R25 PolarHBondContact O-N 3.4Å; N23-R25 WeakPolarHBondContact OD1-CA 3.19Å; N23-R25 VanDerWaalsContact OD1-CB 3.31Å; N23-R25 WeakPolarHBondContact OD1-CB 3.2Å; N23-R25 PolarHBondContact OD1-N 3.39Å; N23-D26 PolarHBondContact N-OD1 3.08Å; N23-D26 PolarHBondContact ND2-OD1 3.21Å; N23-D26 PolarHBondContact O-N 3.25Å; N23-D26 VanDerWaalsContact O-N 3.14Å; N23-D26 PolarHBondContact OD1-N 2.65Å; N23-D26 PolarHBondContact OD1-OD1 3.36Å; N23-L27 WeakPolarHBondContact O-CB 3.22Å; N23-L27 PolarHBondContact O-N 3.37Å
24N82.2Confident94.6Very high159 Ų15950.1 Ų50.185%0.8527%0.272SS*.THydrogen-bonded Turntrans-60.9-18.6-175.2-66.3-14.4000114.1
25R85.6Confident94.5Very high241 Ų24155.2 Ų55.291%0.90929%0.294SS*.THydrogen-bonded Turntrans-84.9-25.8-179.2-57.6-177.3-178.4179.90.8113.1N23N23-R25 PolarHBondContact O-N 3.4Å; N23-R25 WeakPolarHBondContact OD1-CA 3.19Å; N23-R25 VanDerWaalsContact OD1-CB 3.31Å; N23-R25 WeakPolarHBondContact OD1-CB 3.2Å; N23-R25 PolarHBondContact OD1-N 3.39Å
26D91.8Very high94.4Very high34 Ų3460.1 Ų60.118%0.18232%0.317CS..THydrogen-bonded Turntrans-112.3-14.2-176.872.4-17.1000114N23 E28 A29 V30 R253N23-D26 PolarHBondContact N-OD1 3.08Å; N23-D26 PolarHBondContact ND2-OD1 3.21Å; N23-D26 PolarHBondContact O-N 3.25Å; N23-D26 VanDerWaalsContact O-N 3.14Å; N23-D26 PolarHBondContact OD1-N 2.65Å; N23-D26 PolarHBondContact OD1-OD1 3.36Å; D26-E28 VanDerWaalsContact C-N 3.32Å; D26-E28 PolarHBondContact O-N 3.29Å; D26-A29 WeakPolarHBondContact O-CB 3.28Å; D26-A29 PolarHBondContact O-N 3.09Å; D26-V30 WeakPolarHBondContact O-CG2 3.24Å; D26-V30 PolarHBondContact O-N 3.4Å; D26-R253 IonicContact OD2-CZ 2.83Å; D26-R253 IonicContact OD2-NH1 3Å; D26-R253 PolarHBondContact OD2-NH1 2.97Å; D26-R253 IonicContact OD2-NH2 3.44Å; D26-R253 PolarHBondContact OD2-NH2 3.38Å
27L95.1Very high94.3Very high10 Ų1059.3 Ų59.35%0.05231%0.313CS..Hα-helixtrans-57.4-40.8-177.9-173.660.1000113.1L17 F22 N23 A29 V30 L31 L58L17-L27 HydrophobicContact CB-CD1 4.4Å; F22-L27 HydrophobicContact CB-CD1 4.39Å; N23-L27 WeakPolarHBondContact O-CB 3.22Å; N23-L27 PolarHBondContact O-N 3.37Å; L27-A29 VanDerWaalsContact C-N 3.28Å; L27-A29 PolarHBondContact O-N 2.93Å; L27-V30 WeakPolarHBondContact O-CB 3.47Å; L27-V30 PolarHBondContact O-N 2.99Å; L27-V30 VanDerWaalsContact O-N 3.13Å; L27-L31 HydrophobicContact CD1-CD2 4.41Å; L27-L31 HydrophobicContact CD1-CG 4.25Å; L27-L31 HydrophobicContact CG-CD1 4.29Å; L27-L31 HydrophobicContact CG-CG 4.35Å; L27-L31 WeakPolarHBondContact O-CG 3.46Å; L27-L31 PolarHBondContact O-N 3.43Å; L27-L58 HydrophobicContact CD2-CD1 3.4Å; L27-L58 HydrophobicContact CD2-CD2 3.95Å; L27-L58 HydrophobicContact CD2-CG 4.33Å
28E95.9Very high94.3Very high150 Ų15059.3 Ų59.370%0.70131%0.314SS*.Hα-helixtrans-58.5-41.9176.6-175.1177.1-171.200111.7D26 L31 G32D26-E28 VanDerWaalsContact C-N 3.32Å; D26-E28 PolarHBondContact O-N 3.29Å; E28-L31 PolarHBondContact O-N 3.46Å; E28-G32 PolarHBondContact O-N 2.72Å
29A97.5Very high94.3Very high50 Ų5057.1 Ų57.141%0.41330%0.3SS..Hα-helixtrans-69.1-36.917700000112.1D26 L27 G32 R33D26-A29 WeakPolarHBondContact O-CB 3.28Å; D26-A29 PolarHBondContact O-N 3.09Å; L27-A29 VanDerWaalsContact C-N 3.28Å; L27-A29 PolarHBondContact O-N 2.93Å; A29-G32 PolarHBondContact O-N 2.95Å; A29-R33 WeakPolarHBondContact O-CG 3.32Å; A29-R33 PolarHBondContact O-N 3.12Å; A29-R33 PolarHBondContact O-NH1 3.46Å
30V98.6Very high94.6Very high0 Ų058 Ų580%030%0.303CS..Hα-helixtrans-60.1-48.2173.6175.90000110.5F22 D26 L27 R33 A34 E255F22-V30 HydrophobicContact CD1-CG1 4.31Å; F22-V30 HydrophobicContact CD1-CG2 4.01Å; F22-V30 HydrophobicContact CE1-CG1 4.1Å; F22-V30 HydrophobicContact CE1-CG2 4.27Å; D26-V30 WeakPolarHBondContact O-CG2 3.24Å; D26-V30 PolarHBondContact O-N 3.4Å; L27-V30 WeakPolarHBondContact O-CB 3.47Å; L27-V30 PolarHBondContact O-N 2.99Å; L27-V30 VanDerWaalsContact O-N 3.13Å; V30-R33 PolarHBondContact O-N 2.96Å; V30-A34 PolarHBondContact O-N 3.26Å; V30-E255 HydrophobicContact CG1-CB 4.45Å; V30-E255 WeakPolarHBondContact CG2-OE1 3.33Å
31L98.3Very high94.9Very high2 Ų251.9 Ų51.91%0.0126%0.262CS..Hα-helixtrans-68.6-35.9179.4-62.2-176.5000111.9L17 L27 E28 A34 K35 I42 Y62 Y65 L66L17-L31 HydrophobicContact CD1-CD2 3.75Å; L27-L31 HydrophobicContact CD1-CD2 4.41Å; L27-L31 HydrophobicContact CD1-CG 4.25Å; L27-L31 HydrophobicContact CG-CD1 4.29Å; L27-L31 HydrophobicContact CG-CG 4.35Å; L27-L31 WeakPolarHBondContact O-CG 3.46Å; L27-L31 PolarHBondContact O-N 3.43Å; E28-L31 PolarHBondContact O-N 3.46Å; L31-A34 WeakPolarHBondContact O-CB 3.44Å; L31-A34 PolarHBondContact O-N 2.86Å; L31-K35 WeakPolarHBondContact O-CG 3.32Å; L31-K35 PolarHBondContact O-N 3.48Å; L31-I42 HydrophobicContact CD2-CD1 3.92Å; L31-Y62 HydrophobicContact CD1-CD1 3.81Å; L31-Y62 HydrophobicContact CD1-CD2 3.86Å; L31-Y62 HydrophobicContact CD1-CE1 3.59Å; L31-Y62 HydrophobicContact CD1-CE2 3.67Å; L31-Y62 HydrophobicContact CD1-CG 3.93Å; L31-Y65 HydrophobicContact CB-CE1 4.2Å; L31-Y65 HydrophobicContact CD1-CE1 4.5Å; L31-Y65 HydrophobicContact CD2-CE1 4.1Å; L31-Y65 HydrophobicContact CG-CE1 4.48Å; L31-L66 HydrophobicContact CD1-CD1 4.1Å; L31-L66 HydrophobicContact CD2-CD2 4.23Å
32G97.5Very high95.1Very high26 Ų2650.6 Ų50.627%0.26825%0.251SS..Hα-helixtrans-58.1-50.3172.900000111.7E28 A29 A34 K35 E36E28-G32 PolarHBondContact O-N 2.72Å; A29-G32 PolarHBondContact O-N 2.95Å; G32-A34 VanDerWaalsContact C-N 3.32Å; G32-A34 PolarHBondContact O-N 2.74Å; G32-K35 PolarHBondContact O-N 3.38Å; G32-E36 WeakPolarHBondContact O-CG 3.26Å; G32-E36 PolarHBondContact O-N 3.11Å
33R97.9Very high95.4Very high39 Ų3950 Ų5015%0.14725%0.249CC..Hα-helixtrans-61.5-38.8175.4-69.7-172.9-66.4-85.311.1112.9A29 V30 E36 S37 F244 Y248 E255 C257A29-R33 WeakPolarHBondContact O-CG 3.32Å; A29-R33 PolarHBondContact O-N 3.12Å; A29-R33 PolarHBondContact O-NH1 3.46Å; V30-R33 PolarHBondContact O-N 2.96Å; R33-E36 PolarHBondContact O-N 3.39Å; R33-S37 WeakPolarHBondContact O-CB 3.32Å; R33-S37 PolarHBondContact O-N 3.02Å; R33-S37 PolarHBondContact O-OG 3.35Å; R33-F244 HydrophobicContact CB-CD1 4.47Å; R33-F244 HydrophobicContact CB-CE1 4.39Å; R33-F244 WeakPolarHBondContact O-CE1 3.4Å; R33-Y248 VanDerWaalsContact CD-CD2 3.42Å; R33-Y248 VanDerWaalsContact CD-CE1 3.49Å; R33-Y248 HydrophobicContact CG-CD2 4.39Å; R33-Y248 HydrophobicContact CG-CE2 4.33Å; R33-E255 IonicContact CZ-OE1 2.61Å; R33-E255 IonicContact CZ-OE2 3.99Å; R33-E255 IonicContact NE-OE2 2.72Å; R33-E255 PolarHBondContact NE-OE2 3.04Å; R33-E255 IonicContact NH2-OE1 3.18Å; R33-E255 PolarHBondContact NH2-OE1 3.4Å; R33-E255 IonicContact NH2-OE2 2.88Å; R33-E255 PolarHBondContact NH2-OE2 2.93Å; R33-C257 HydrophobicContact CB-CB 3.97Å; R33-C257 WeakPolarHBondContact O-CB 3.4Å
34A98.3Very high95.9Very high0 Ų046.3 Ų46.30%023%0.229CC..Hα-helixtrans-58.6-48.9175.700000110.8V30 L31 G32 S37 G38 V39 I42 Y65 P256V30-A34 PolarHBondContact O-N 3.26Å; L31-A34 WeakPolarHBondContact O-CB 3.44Å; L31-A34 PolarHBondContact O-N 2.86Å; G32-A34 VanDerWaalsContact C-N 3.32Å; G32-A34 PolarHBondContact O-N 2.74Å; A34-S37 PolarHBondContact O-N 3.44Å; A34-S37 PolarHBondContact O-OG 3.01Å; A34-G38 PolarHBondContact O-N 3.1Å; A34-V39 HydrophobicContact CB-CB 4.16Å; A34-V39 WeakPolarHBondContact O-CB 3.22Å; A34-V39 PolarHBondContact O-N 3.48Å; A34-I42 HydrophobicContact CB-CD1 4.05Å; A34-Y65 WeakPolarHBondContact CB-OH 3.18Å; A34-P256 HydrophobicContact CB-CB 3.82Å
35K96.7Very high96.7Very high108 Ų10838.8 Ų38.847%0.4719%0.189SC..Hα-helixtrans-60-48.4175.9-69.2176.9-179-179.20112.3L31 G32 S37 G38 Y65L31-K35 WeakPolarHBondContact O-CG 3.32Å; L31-K35 PolarHBondContact O-N 3.48Å; G32-K35 PolarHBondContact O-N 3.38Å; K35-S37 PolarHBondContact O-N 3.08Å; K35-G38 PolarHBondContact O-N 3.06Å; K35-Y65 HydrophobicContact CD-CE2 4.21Å; K35-Y65 HydrophobicContact CG-CD2 4.49Å; K35-Y65 HydrophobicContact CG-CE1 4.32Å; K35-Y65 HydrophobicContact CG-CE2 3.62Å; K35-Y65 WeakPolarHBondContact CG-OH 3.39Å
36E96.4Very high97.3Very high103 Ų10327.3 Ų27.348%0.48115%0.145SC..Hα-helixtrans-60.4-31.9178.6-71.2172.5-173.300112.7G32 R33 G38 F244G32-E36 WeakPolarHBondContact O-CG 3.26Å; G32-E36 PolarHBondContact O-N 3.11Å; R33-E36 PolarHBondContact O-N 3.39Å; E36-G38 VanDerWaalsContact C-N 3.31Å; E36-F244 HydrophobicContact CB-CE1 4.03Å; E36-F244 HydrophobicContact CB-CZ 3.8Å
37S97.2Very high97.6Very high1 Ų126.8 Ų26.81%0.00714%0.143CC..Hα-helixtrans-76.6-16.117776.50000113.9R33 A34 K35 H240 C257 P260R33-S37 WeakPolarHBondContact O-CB 3.32Å; R33-S37 PolarHBondContact O-N 3.02Å; R33-S37 PolarHBondContact O-OG 3.35Å; A34-S37 PolarHBondContact O-N 3.44Å; A34-S37 PolarHBondContact O-OG 3.01Å; K35-S37 PolarHBondContact O-N 3.08Å; S37-H240 PolarHBondContact O-NE2 3.15Å; S37-C257 WeakPolarHBondContact OG-CA 3.29Å; S37-P260 VanDerWaalsContact O-CG 3.29Å; S37-P260 WeakPolarHBondContact O-CG 3.29Å
38G96.7Very high97.7Very high3 Ų327.7 Ų27.73%0.03115%0.151CC..THydrogen-bonded Turntrans110.54.2-177.700000115.2A6 Y8 Q9 L10 A34 K35 E36 C40A6-G38 VanDerWaalsContact CB-CA 3.46Å; Y8-G38 WeakPolarHBondContact O-CA 3.42Å; Q9-G38 CarbonylContact C-O 3.51Å; Q9-G38 WeakPolarHBondContact CA-O 3.41Å; L10-G38 PolarHBondContact N-O 2.83Å; A34-G38 PolarHBondContact O-N 3.1Å; K35-G38 PolarHBondContact O-N 3.06Å; E36-G38 VanDerWaalsContact C-N 3.31Å; G38-C40 PolarHBondContact O-N 3.41Å; G38-C40 PolarHBondContact O-SG 3.23Å
39V97.9Very high97.8Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-79.1109.5175.1-175.20000109D12 A34 K41 I42 Y65 P256 L259D12-V39 HydrophobicContact CB-CG1 4.04Å; A34-V39 HydrophobicContact CB-CB 4.16Å; A34-V39 WeakPolarHBondContact O-CB 3.22Å; A34-V39 PolarHBondContact O-N 3.48Å; V39-K41 WeakPolarHBondContact CG1-O 3.43Å; V39-I42 HydrophobicContact CG1-CD1 4.15Å; V39-I42 HydrophobicContact CG1-CG1 3.59Å; V39-Y65 WeakPolarHBondContact O-CE2 3.32Å; V39-Y65 PolarHBondContact O-OH 2.82Å; V39-P256 WeakPolarHBondContact CG2-O 3.34Å; V39-L259 HydrophobicContact CG1-CD2 4.46Å; V39-L259 HydrophobicContact CG2-CB 3.87Å; V39-L259 HydrophobicContact CG2-CD2 4Å
40C96.2Very high97.8Very high35 Ų3523.3 Ų23.324%0.23613%0.126CC..EExtended strand (participates in β ladder)trans-95.7-21.3-173.7-60.90000113.4Q9 L10 G38 Y65 F293Q9-C40 VanDerWaalsContact CB-SG 3.59Å; L10-C40 PolarHBondContact O-N 3.07Å; G38-C40 PolarHBondContact O-N 3.41Å; G38-C40 PolarHBondContact O-SG 3.23Å; C40-Y65 WeakPolarHBondContact O-CD2 3.31Å; C40-Y65 VanDerWaalsContact O-CE2 3.28Å; C40-Y65 WeakPolarHBondContact O-CE2 3.5Å; C40-F293 HydrophobicContact CB-CE1 3.95Å; C40-F293 HydrophobicContact CB-CZ 4.4Å
41K98.2Very high97.8Very high11 Ų1125.3 Ų25.35%0.04814%0.138CC..EExtended strand (participates in β ladder)trans-144.7147.1174.6-47.1-74.9164.3169.30109.2L10 V11 D12 V39 D64 Y65 Y67 L291 T292 F293L10-K41 PolarHBondContact O-N 2.88Å; V11-K41 WeakPolarHBondContact CA-O 3.24Å; V11-K41 HydrophobicContact CG1-CB 4.18Å; V11-K41 HydrophobicContact CG2-CB 4.06Å; V11-K41 HydrophobicContact CG2-CG 4.16Å; D12-K41 PolarHBondContact N-O 3.44Å; V39-K41 WeakPolarHBondContact CG1-O 3.43Å; K41-D64 WeakPolarHBondContact CD-O 3.49Å; K41-D64 PolarHBondContact NZ-O 3.48Å; K41-Y65 WeakPolarHBondContact CA-O 3.47Å; K41-Y67 HydrophobicContact CD-CE2 4.02Å; K41-L291 HydrophobicContact CB-CD1 4.36Å; K41-L291 HydrophobicContact CG-CD1 4.46Å; K41-T292 VanDerWaalsContact CE-O 3.29Å; K41-T292 WeakPolarHBondContact CE-O 3.39Å; K41-T292 PolarHBondContact NZ-O 3.16Å; K41-F293 HydrophobicContact CG-CE2 4.23Å; K41-F293 HydrophobicContact CG-CZ 4.16Å
42I98.8Very high97.8Very high0 Ų025.2 Ų25.20%014%0.137CC..EExtended strand (participates in β ladder)trans-132.5132.6174.4-56.6170.4000108.6D12 A15 L17 L31 A34 V39 Y65 L66 Y67 P256D12-I42 HydrophobicContact CB-CB 4.38Å; D12-I42 HydrophobicContact CB-CG1 4.07Å; D12-I42 HydrophobicContact CB-CG2 4.2Å; D12-I42 CarbonylContact O-C 3.5Å; D12-I42 WeakPolarHBondContact O-CA 3.09Å; A15-I42 HydrophobicContact CB-CG2 3.75Å; L17-I42 HydrophobicContact CD1-CD1 4.42Å; L17-I42 HydrophobicContact CD1-CG2 4.01Å; L31-I42 HydrophobicContact CD2-CD1 3.92Å; A34-I42 HydrophobicContact CB-CD1 4.05Å; V39-I42 HydrophobicContact CG1-CD1 4.15Å; V39-I42 HydrophobicContact CG1-CG1 3.59Å; I42-Y65 HydrophobicContact CD1-CE1 4.2Å; I42-Y65 PolarHBondContact N-O 2.97Å; I42-L66 HydrophobicContact CB-CD2 3.7Å; I42-L66 HydrophobicContact CD1-CD2 4.3Å; I42-L66 HydrophobicContact CG1-CD2 4.39Å; I42-L66 HydrophobicContact CG2-CD2 4.4Å; I42-L66 WeakPolarHBondContact O-CA 3.08Å; I42-Y67 PolarHBondContact O-N 3.5Å; I42-P256 HydrophobicContact CD1-CB 3.72Å; I42-P256 HydrophobicContact CD1-CG 3.9Å; I42-P256 HydrophobicContact CG1-CB 4.47Å
43I98.9Very high97.9Very high0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-96.5115170.5-54.9177.3000108.1D12 I13 A15 Y67 T69 V98 F289D12-I43 PolarHBondContact O-N 3.27Å; I13-I43 HydrophobicContact CB-CD1 4.26Å; I13-I43 HydrophobicContact CG2-CD1 4.5Å; I13-I43 WeakPolarHBondContact O-CB 3.39Å; A15-I43 PolarHBondContact N-O 3.02Å; I43-Y67 CarbonylContact C-O 3.52Å; I43-Y67 WeakPolarHBondContact CA-O 3.48Å; I43-T69 HydrophobicContact CG2-CG2 3.51Å; I43-V98 HydrophobicContact CD1-CG2 3.87Å; I43-V98 HydrophobicContact CG1-CG2 4.22Å; I43-V98 HydrophobicContact CG2-CG2 3.93Å; I43-F289 HydrophobicContact CD1-CB 4.15Å; I43-F289 HydrophobicContact CD1-CD1 3.98Å; I43-F289 HydrophobicContact CD1-CD2 3.47Å; I43-F289 VanDerWaalsContact CD1-CD2 3.47Å; I43-F289 HydrophobicContact CD1-CE1 4.22Å; I43-F289 HydrophobicContact CD1-CE2 3.75Å; I43-F289 HydrophobicContact CD1-CG 3.59Å; I43-F289 HydrophobicContact CD1-CZ 4.1Å
44V98.8Very high97.9Very high0 Ų030.4 Ų30.40%016%0.155CC..EExtended strand (participates in β ladder)trans-79.4120.4178.2-174.80000109.4A15 L17 T18 G46 A55 L58 L66 Y67 F68 T69A15-V44 WeakPolarHBondContact O-CA 3.32Å; L17-V44 HydrophobicContact CB-CG1 4.25Å; L17-V44 HydrophobicContact CB-CG2 4.38Å; L17-V44 HydrophobicContact CD1-CG2 4.16Å; T18-V44 HydrophobicContact CG2-CG1 4.05Å; V44-G46 PolarHBondContact O-N 3.33Å; V44-A55 HydrophobicContact CB-CB 4.16Å; V44-A55 HydrophobicContact CG1-CB 3.67Å; V44-L58 HydrophobicContact CG2-CD2 4.31Å; V44-L66 HydrophobicContact CG2-CB 4.46Å; V44-L66 HydrophobicContact CG2-CD1 4.41Å; V44-L66 HydrophobicContact CG2-CD2 4.48Å; V44-Y67 PolarHBondContact N-O 3.36Å; V44-F68 HydrophobicContact CB-CB 4.28Å; V44-F68 WeakPolarHBondContact O-CA 3.38Å; V44-F68 WeakPolarHBondContact O-CB 3.47Å; V44-T69 PolarHBondContact O-N 2.76Å; V44-T69 VanDerWaalsContact O-N 3.1Å
45T98.7Very high97.9Very high1 Ų130.4 Ų30.41%0.00616%0.155CC..PPolyproline II helixtrans-74.2121-174.3-49.60000111.5A15 T47 E102 F136A15-T45 PolarHBondContact N-OG1 3.2Å; A15-T45 PolarHBondContact O-N 2.99Å; T45-T47 HydrophobicContact CG2-CG2 4.11Å; T45-E102 HydrophobicContact CG2-CB 3.58Å; T45-E102 HydrophobicContact CG2-CG 4.4Å; T45-E102 VanDerWaalsContact CG2-OE2 3.25Å; T45-E102 WeakPolarHBondContact CG2-OE2 3.3Å; T45-F136 HydrophobicContact CG2-CE1 4.1Å
46G98.3Very high97.9Very high0 Ų026.1 Ų26.10%014%0.137CC..PPolyproline II helixtrans-91.4122.7169.800000111.4V44 T69 G101 E102V44-G46 PolarHBondContact O-N 3.33Å; G46-T69 VanDerWaalsContact CA-O 3.3Å; G46-T69 WeakPolarHBondContact CA-O 3.12Å; G46-T69 PolarHBondContact N-O 3.36Å; G46-T69 PolarHBondContact N-OG1 3.4Å; G46-G101 CarbonylContact O-C 3.35Å; G46-G101 VanDerWaalsContact O-C 3.25Å; G46-E102 PolarHBondContact O-N 2.97Å
47T97.7Very high98Very high23 Ų2326.4 Ų26.414%0.14113%0.133CC..  trans-115.7-5.9-176.453.80000113.9T45 G71 T72 H73 E102T45-T47 HydrophobicContact CG2-CG2 4.11Å; T47-G71 CarbonylContact C-O 3.16Å; T47-T72 CarbonylContact O-C 3.38Å; T47-T72 VanDerWaalsContact O-CA 3.3Å; T47-T72 WeakPolarHBondContact O-CA 3.44Å; T47-H73 HydrophobicContact CG2-CB 4.21Å; T47-H73 PolarHBondContact O-N 3.1Å; T47-E102 HydrophobicContact CG2-CB 4.27Å
48S98Very high98Very high30 Ų3027 Ų2721%0.2114%0.137CC..SBendtrans-157.7172.3171.969.60000109.4D50 V51 T52 G71S48-D50 VanDerWaalsContact C-N 3.3Å; S48-D50 PolarHBondContact O-N 3.31Å; S48-V51 PolarHBondContact O-N 2.85Å; S48-V51 WeakPolarHBondContact OG-CG2 3.2Å; S48-V51 PolarHBondContact OG-N 3.01Å; S48-T52 VanDerWaalsContact O-CB 3.22Å; S48-T52 WeakPolarHBondContact O-CB 3.34Å; S48-T52 PolarHBondContact O-N 2.94Å; S48-T52 PolarHBondContact O-OG1 2.73Å; S48-G71 CarbonylContact C-O 3.49Å; S48-G71 WeakPolarHBondContact CA-O 3.28Å; S48-G71 PolarHBondContact N-O 3.16Å; S48-G71 VanDerWaalsContact N-O 3.11Å
49V98.3Very high98Very high11 Ų1126.9 Ų26.97%0.06714%0.135CC..Hα-helixtrans-56.9-44.2176.5178.10000111.9T52 K53 C84 R87 L88 L91V49-T52 PolarHBondContact O-N 3.24Å; V49-K53 PolarHBondContact O-N 3.5Å; V49-C84 HydrophobicContact CG2-CB 4Å; V49-R87 HydrophobicContact CG1-CB 3.78Å; V49-R87 VanDerWaalsContact CG1-CZ 3.49Å; V49-R87 HydrophobicContact CG2-CB 4.3Å; V49-L88 HydrophobicContact CG2-CD2 3.97Å; V49-L88 HydrophobicContact CG2-CG 3.97Å; V49-L91 HydrophobicContact CG1-CD1 4.08Å
50D97.5Very high98Very high97 Ų9733.3 Ų33.352%0.51916%0.159SC..Hα-helixtrans-72.5-42.1-177.3-67-25.7000111.2S48 T52 K53 E54 R87S48-D50 VanDerWaalsContact C-N 3.3Å; S48-D50 PolarHBondContact O-N 3.31Å; D50-T52 VanDerWaalsContact C-N 3.32Å; D50-T52 PolarHBondContact O-N 3.47Å; D50-K53 WeakPolarHBondContact O-CB 3.14Å; D50-K53 PolarHBondContact O-N 3.22Å; D50-E54 PolarHBondContact O-N 2.92Å; D50-R87 IonicContact OD1-NH2 3.46Å; D50-R87 PolarHBondContact OD1-NH2 3.39Å
51V97.8Very high98Very high42 Ų4237.8 Ų37.826%0.25518%0.18SC..Hα-helixtrans-62-41174.6175.20000111.1S48 K53 E54 A55S48-V51 PolarHBondContact O-N 2.85Å; S48-V51 WeakPolarHBondContact OG-CG2 3.2Å; S48-V51 PolarHBondContact OG-N 3.01Å; V51-K53 VanDerWaalsContact C-N 3.32Å; V51-K53 PolarHBondContact O-N 3.4Å; V51-E54 PolarHBondContact O-N 3.23Å; V51-A55 WeakPolarHBondContact O-CB 3.31Å; V51-A55 PolarHBondContact O-N 3.47Å
52T98.6Very high97.9Very high0 Ų039.9 Ų39.90%019%0.188CC..Hα-helixtrans-62.1-40.3176.1-58.90000111.1S48 V49 D50 A55 M56 F68 A70 L91S48-T52 VanDerWaalsContact O-CB 3.22Å; S48-T52 WeakPolarHBondContact O-CB 3.34Å; S48-T52 PolarHBondContact O-N 2.94Å; S48-T52 PolarHBondContact O-OG1 2.73Å; V49-T52 PolarHBondContact O-N 3.24Å; D50-T52 VanDerWaalsContact C-N 3.32Å; D50-T52 PolarHBondContact O-N 3.47Å; T52-A55 PolarHBondContact O-N 3.46Å; T52-M56 PolarHBondContact O-N 2.93Å; T52-F68 HydrophobicContact CG2-CD2 3.92Å; T52-F68 HydrophobicContact CG2-CE2 3.7Å; T52-A70 HydrophobicContact CG2-CB 3.49Å; T52-A70 VanDerWaalsContact CG2-CB 3.49Å; T52-L91 HydrophobicContact CG2-CB 3.89Å; T52-L91 HydrophobicContact CG2-CD1 3.74Å; T52-L91 HydrophobicContact CG2-CG 4.3Å
53K98.3Very high97.7Very high83 Ų8344.1 Ų44.136%0.36122%0.216SC..Hα-helixtrans-64-40.2176-170178.6-172176.70112V49 D50 V51 M56 R57 L91V49-K53 PolarHBondContact O-N 3.5Å; D50-K53 WeakPolarHBondContact O-CB 3.14Å; D50-K53 PolarHBondContact O-N 3.22Å; V51-K53 VanDerWaalsContact C-N 3.32Å; V51-K53 PolarHBondContact O-N 3.4Å; K53-M56 HydrophobicContact CG-CE 4.38Å; K53-R57 VanDerWaalsContact CE-NH2 3.31Å; K53-R57 WeakPolarHBondContact O-CG 3.32Å; K53-R57 PolarHBondContact O-N 3.06Å; K53-R57 VanDerWaalsContact O-N 3.1Å; K53-L91 HydrophobicContact CB-CD2 4.39Å
54E97.7Very high97.5Very high91 Ų9148.8 Ų48.843%0.42524%0.241SC..Hα-helixtrans-66.7-39.8173.4-60.2-48.9151.100111.9T18 D50 V51 M56 R57 L58T18-E54 HydrophobicContact CG2-CB 4Å; D50-E54 PolarHBondContact O-N 2.92Å; V51-E54 PolarHBondContact O-N 3.23Å; E54-M56 VanDerWaalsContact C-N 3.34Å; E54-M56 PolarHBondContact O-N 3.35Å; E54-R57 PolarHBondContact O-N 3.27Å; E54-R57 IonicContact OE1-CZ 3.36Å; E54-R57 IonicContact OE1-NH1 3.93Å; E54-R57 PolarHBondContact OE1-NH1 2.92Å; E54-R57 IonicContact OE2-CZ 2.7Å; E54-R57 IonicContact OE2-NH1 3.24Å; E54-R57 PolarHBondContact OE2-NH1 3.45Å; E54-L58 WeakPolarHBondContact O-CB 3.37Å; E54-L58 PolarHBondContact O-N 2.99Å
55A98.3Very high97.4Very high0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans-61.2-43.6176.500000111.3T18 V44 V51 T52 R57 L58 C59 F68T18-A55 HydrophobicContact CG2-CB 4.24Å; V44-A55 HydrophobicContact CB-CB 4.16Å; V44-A55 HydrophobicContact CG1-CB 3.67Å; V51-A55 WeakPolarHBondContact O-CB 3.31Å; V51-A55 PolarHBondContact O-N 3.47Å; T52-A55 PolarHBondContact O-N 3.46Å; A55-R57 PolarHBondContact O-N 2.97Å; A55-L58 PolarHBondContact O-N 3.25Å; A55-C59 PolarHBondContact O-N 3.42Å; A55-C59 PolarHBondContact O-SG 3.39Å; A55-F68 HydrophobicContact CB-CB 3.79Å; A55-F68 HydrophobicContact CB-CD2 4.46Å; A55-F68 HydrophobicContact CB-CG 4.27Å
56M98.4Very high97.4Very high18 Ų1849.6 Ų49.69%0.08924%0.244CC..Hα-helixtrans-58.1-47.4173-179.2-165.16800111.9T52 K53 E54 L58 C59 R60 F68 L91 Q94T52-M56 PolarHBondContact O-N 2.93Å; K53-M56 HydrophobicContact CG-CE 4.38Å; E54-M56 VanDerWaalsContact C-N 3.34Å; E54-M56 PolarHBondContact O-N 3.35Å; M56-L58 VanDerWaalsContact C-N 3.31Å; M56-L58 PolarHBondContact O-N 2.92Å; M56-C59 PolarHBondContact O-N 3.46Å; M56-R60 WeakPolarHBondContact O-CG 3.37Å; M56-R60 PolarHBondContact O-N 3.24Å; M56-F68 HydrophobicContact CB-CD1 4.34Å; M56-F68 HydrophobicContact CB-CE1 3.73Å; M56-F68 HydrophobicContact CB-CE2 4.16Å; M56-F68 HydrophobicContact CB-CZ 3.62Å; M56-F68 HydrophobicContact CG-CE1 3.86Å; M56-F68 HydrophobicContact CG-CZ 3.84Å; M56-L91 HydrophobicContact CE-CD2 4.33Å; M56-L91 HydrophobicContact SD-CD2 3.91Å; M56-Q94 HydrophobicContact CG-CG 4.36Å; M56-Q94 HydrophobicContact SD-CG 3.73Å
57R97.6Very high97.4Very high108 Ų10850.5 Ų50.541%0.40825%0.248SC..Hα-helixtrans-61.5-41.6177.8-72.7-175.4-172124.3-8.2111.6K53 E54 A55 R60K53-R57 VanDerWaalsContact CE-NH2 3.31Å; K53-R57 WeakPolarHBondContact O-CG 3.32Å; K53-R57 PolarHBondContact O-N 3.06Å; K53-R57 VanDerWaalsContact O-N 3.1Å; E54-R57 PolarHBondContact O-N 3.27Å; E54-R57 IonicContact OE1-CZ 3.36Å; E54-R57 IonicContact OE1-NH1 3.93Å; E54-R57 PolarHBondContact OE1-NH1 2.92Å; E54-R57 IonicContact OE2-CZ 2.7Å; E54-R57 IonicContact OE2-NH1 3.24Å; E54-R57 PolarHBondContact OE2-NH1 3.45Å; A55-R57 PolarHBondContact O-N 2.97Å; R57-R60 PolarHBondContact O-N 3.07Å
58L96.9Very high97.4Very high15 Ų1549.4 Ų49.48%0.07924%0.241CC..Hα-helixtrans-63.1-43.5176.8176.757.7000111.4L17 T18 L27 V44 E54 A55 M56 R60 L61 Y62 L66L17-L58 HydrophobicContact CB-CD2 3.99Å; T18-L58 HydrophobicContact CG2-CD2 4.16Å; L27-L58 HydrophobicContact CD2-CD1 3.4Å; L27-L58 HydrophobicContact CD2-CD2 3.95Å; L27-L58 HydrophobicContact CD2-CG 4.33Å; V44-L58 HydrophobicContact CG2-CD2 4.31Å; E54-L58 WeakPolarHBondContact O-CB 3.37Å; E54-L58 PolarHBondContact O-N 2.99Å; A55-L58 PolarHBondContact O-N 3.25Å; M56-L58 VanDerWaalsContact C-N 3.31Å; M56-L58 PolarHBondContact O-N 2.92Å; L58-R60 VanDerWaalsContact C-N 3.26Å; L58-R60 PolarHBondContact O-N 3.03Å; L58-L61 WeakPolarHBondContact O-CB 3.43Å; L58-L61 PolarHBondContact O-N 2.85Å; L58-Y62 HydrophobicContact CD1-CD2 3.85Å; L58-Y62 HydrophobicContact CD1-CE2 3.75Å; L58-L66 HydrophobicContact CD1-CD1 4.1Å; L58-L66 HydrophobicContact CD2-CD1 4.13Å; L58-L66 HydrophobicContact CG-CD1 3.7Å
59C97.4Very high97.5Very high0 Ų048 Ų480%023%0.231CC..Hα-helixtrans-60.8-35.7178.7-65.70000112.5A55 M56 L61 Y62 L66 Y67 F68 E96A55-C59 PolarHBondContact O-N 3.42Å; A55-C59 PolarHBondContact O-SG 3.39Å; M56-C59 PolarHBondContact O-N 3.46Å; C59-L61 PolarHBondContact O-N 3.33Å; C59-Y62 CarbonylContact O-C 3.53Å; C59-Y62 PolarHBondContact O-N 3.26Å; C59-L66 HydrophobicContact CB-CB 4.25Å; C59-Y67 PolarHBondContact SG-O 3.42Å; C59-Y67 VanDerWaalsContact SG-O 3.37Å; C59-F68 HydrophobicContact CB-CD1 4.24Å; C59-E96 HydrophobicContact CB-CB 4.21Å; C59-E96 HydrophobicContact CB-CG 4.48Å
60R96.7Very high97.5Very high134 Ų13447.5 Ų47.551%0.50623%0.228SC..Hα-helixtrans-65.4-21.2175.7-69.9178177.7-178.61.1114.2M56 R57 L58M56-R60 WeakPolarHBondContact O-CG 3.37Å; M56-R60 PolarHBondContact O-N 3.24Å; R57-R60 PolarHBondContact O-N 3.07Å; L58-R60 VanDerWaalsContact C-N 3.26Å; L58-R60 PolarHBondContact O-N 3.03Å
61L96.1Very high97.5Very high129 Ų12942.9 Ų42.968%0.67520%0.203SC*.Hα-helixtrans-81.7-20.1173.8-61.3176.3000112.5L58 C59 P63L58-L61 WeakPolarHBondContact O-CB 3.43Å; L58-L61 PolarHBondContact O-N 2.85Å; C59-L61 PolarHBondContact O-N 3.33Å; L61-P63 VanDerWaalsContact C-CD 3.47Å
62Y96.2Very high97.6Very high55 Ų5541.2 Ų41.222%0.21619%0.193CC..SBendtrans-132.861.8-176.5-61.5-84.8000110.5L31 L58 C59 Y65 L66L31-Y62 HydrophobicContact CD1-CD1 3.81Å; L31-Y62 HydrophobicContact CD1-CD2 3.86Å; L31-Y62 HydrophobicContact CD1-CE1 3.59Å; L31-Y62 HydrophobicContact CD1-CE2 3.67Å; L31-Y62 HydrophobicContact CD1-CG 3.93Å; L58-Y62 HydrophobicContact CD1-CD2 3.85Å; L58-Y62 HydrophobicContact CD1-CE2 3.75Å; C59-Y62 CarbonylContact O-C 3.53Å; C59-Y62 PolarHBondContact O-N 3.26Å; Y62-Y65 PolarHBondContact O-N 2.91Å; Y62-L66 HydrophobicContact CD2-CD1 3.69Å; Y62-L66 HydrophobicContact CG-CD1 3.96Å; Y62-L66 HydrophobicContact CG-CG 4.32Å; Y62-L66 PolarHBondContact O-N 2.79Å
63P95.4Very high97.6Very high90 Ų9041.9 Ų41.958%0.58420%0.196SC*.THydrogen-bonded Turntrans-58.5149.9-179.527.8-36.1000110.8L61 Y65L61-P63 VanDerWaalsContact C-CD 3.47Å; P63-Y65 PolarHBondContact O-N 3.24Å
64D93.9Very high97.6Very high98 Ų9838 Ų3852%0.52418%0.18SC..THydrogen-bonded Turntrans56.612.4-176.3-54.5-48.1000114.6K41K41-D64 WeakPolarHBondContact CD-O 3.49Å; K41-D64 PolarHBondContact NZ-O 3.48Å
65Y96.9Very high97.6Very high16 Ų1635.8 Ų35.86%0.06317%0.169CC..THydrogen-bonded Turntrans-127.6-45.7178.2-175.7-113.1000111.8L31 A34 K35 V39 C40 K41 I42 Y62 P63L31-Y65 HydrophobicContact CB-CE1 4.2Å; L31-Y65 HydrophobicContact CD1-CE1 4.5Å; L31-Y65 HydrophobicContact CD2-CE1 4.1Å; L31-Y65 HydrophobicContact CG-CE1 4.48Å; A34-Y65 WeakPolarHBondContact CB-OH 3.18Å; K35-Y65 HydrophobicContact CD-CE2 4.21Å; K35-Y65 HydrophobicContact CG-CD2 4.49Å; K35-Y65 HydrophobicContact CG-CE1 4.32Å; K35-Y65 HydrophobicContact CG-CE2 3.62Å; K35-Y65 WeakPolarHBondContact CG-OH 3.39Å; V39-Y65 WeakPolarHBondContact O-CE2 3.32Å; V39-Y65 PolarHBondContact O-OH 2.82Å; C40-Y65 WeakPolarHBondContact O-CD2 3.31Å; C40-Y65 VanDerWaalsContact O-CE2 3.28Å; C40-Y65 WeakPolarHBondContact O-CE2 3.5Å; K41-Y65 WeakPolarHBondContact CA-O 3.47Å; I42-Y65 HydrophobicContact CD1-CE1 4.2Å; I42-Y65 PolarHBondContact N-O 2.97Å; Y62-Y65 PolarHBondContact O-N 2.91Å; P63-Y65 PolarHBondContact O-N 3.24Å
66L98.2Very high97.6Very high2 Ų238.6 Ų38.61%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-104.5136.3176.2-59.1-173.6000111L17 L31 I42 V44 L58 C59 Y62L17-L66 HydrophobicContact CD1-CD2 4.37Å; L31-L66 HydrophobicContact CD1-CD1 4.1Å; L31-L66 HydrophobicContact CD2-CD2 4.23Å; I42-L66 HydrophobicContact CB-CD2 3.7Å; I42-L66 HydrophobicContact CD1-CD2 4.3Å; I42-L66 HydrophobicContact CG1-CD2 4.39Å; I42-L66 HydrophobicContact CG2-CD2 4.4Å; I42-L66 WeakPolarHBondContact O-CA 3.08Å; V44-L66 HydrophobicContact CG2-CB 4.46Å; V44-L66 HydrophobicContact CG2-CD1 4.41Å; V44-L66 HydrophobicContact CG2-CD2 4.48Å; L58-L66 HydrophobicContact CD1-CD1 4.1Å; L58-L66 HydrophobicContact CD2-CD1 4.13Å; L58-L66 HydrophobicContact CG-CD1 3.7Å; C59-L66 HydrophobicContact CB-CB 4.25Å; Y62-L66 HydrophobicContact CD2-CD1 3.69Å; Y62-L66 HydrophobicContact CG-CD1 3.96Å; Y62-L66 HydrophobicContact CG-CG 4.32Å; Y62-L66 PolarHBondContact O-N 2.79Å
67Y98.7Very high97.5Very high19 Ų1937.8 Ų37.88%0.07518%0.18CC..EExtended strand (participates in β ladder)trans-125.1172.2169.5-63.5-96.7000107.7K41 I42 I43 V44 C59 E96 V98 L291K41-Y67 HydrophobicContact CD-CE2 4.02Å; I42-Y67 PolarHBondContact O-N 3.5Å; I43-Y67 CarbonylContact C-O 3.52Å; I43-Y67 WeakPolarHBondContact CA-O 3.48Å; V44-Y67 PolarHBondContact N-O 3.36Å; C59-Y67 PolarHBondContact SG-O 3.42Å; C59-Y67 VanDerWaalsContact SG-O 3.37Å; Y67-E96 WeakPolarHBondContact CA-O 3.22Å; Y67-E96 WeakPolarHBondContact CB-O 3.35Å; Y67-V98 HydrophobicContact CD1-CG1 3.5Å; Y67-V98 HydrophobicContact CE1-CG1 4.39Å; Y67-V98 HydrophobicContact CG-CG1 3.98Å; Y67-L291 HydrophobicContact CD1-CD2 3.96Å; Y67-L291 HydrophobicContact CD2-CD2 3.74Å; Y67-L291 HydrophobicContact CE1-CD2 4.07Å; Y67-L291 HydrophobicContact CE2-CD2 3.89Å; Y67-L291 HydrophobicContact CG-CD2 3.78Å
68F98.8Very high97.5Very high0 Ų037.8 Ų37.80%018%0.183CC..EExtended strand (participates in β ladder)trans-142162.7177.769.6-83.4000113.4V44 T52 A55 M56 C59 Q94 E96 C97 V98V44-F68 HydrophobicContact CB-CB 4.28Å; V44-F68 WeakPolarHBondContact O-CA 3.38Å; V44-F68 WeakPolarHBondContact O-CB 3.47Å; T52-F68 HydrophobicContact CG2-CD2 3.92Å; T52-F68 HydrophobicContact CG2-CE2 3.7Å; A55-F68 HydrophobicContact CB-CB 3.79Å; A55-F68 HydrophobicContact CB-CD2 4.46Å; A55-F68 HydrophobicContact CB-CG 4.27Å; M56-F68 HydrophobicContact CB-CD1 4.34Å; M56-F68 HydrophobicContact CB-CE1 3.73Å; M56-F68 HydrophobicContact CB-CE2 4.16Å; M56-F68 HydrophobicContact CB-CZ 3.62Å; M56-F68 HydrophobicContact CG-CE1 3.86Å; M56-F68 HydrophobicContact CG-CZ 3.84Å; C59-F68 HydrophobicContact CB-CD1 4.24Å; F68-Q94 HydrophobicContact CE1-CB 4.41Å; F68-Q94 HydrophobicContact CZ-CB 4.1Å; F68-Q94 HydrophobicContact CZ-CG 4.46Å; F68-E96 HydrophobicContact CD1-CB 3.98Å; F68-E96 WeakPolarHBondContact CD1-O 3.14Å; F68-E96 HydrophobicContact CE1-CB 3.86Å; F68-E96 PolarHBondContact N-O 3.17Å; F68-C97 HydrophobicContact CD2-CB 4.18Å; F68-C97 HydrophobicContact CE1-CB 3.98Å; F68-C97 HydrophobicContact CE2-CB 3.58Å; F68-C97 HydrophobicContact CZ-CB 3.48Å; F68-C97 VanDerWaalsContact CZ-CB 3.48Å; F68-C97 CarbonylContact O-C 3.25Å; F68-C97 VanDerWaalsContact O-CA 3.29Å; F68-C97 WeakPolarHBondContact O-CA 3.49Å; F68-V98 PolarHBondContact O-N 3.06Å
69T98.9Very high97.5Very high0 Ų043.4 Ų43.40%021%0.209CC..EExtended strand (participates in β ladder)trans-105.8152.6168.268.40000110.1I43 V44 G46 A99 G101 E102 F136I43-T69 HydrophobicContact CG2-CG2 3.51Å; V44-T69 PolarHBondContact O-N 2.76Å; V44-T69 VanDerWaalsContact O-N 3.1Å; G46-T69 VanDerWaalsContact CA-O 3.3Å; G46-T69 WeakPolarHBondContact CA-O 3.12Å; G46-T69 PolarHBondContact N-O 3.36Å; G46-T69 PolarHBondContact N-OG1 3.4Å; T69-A99 WeakPolarHBondContact CA-O 3.37Å; T69-A99 HydrophobicContact CG2-CB 3.98Å; T69-G101 CarbonylContact C-O 3.2Å; T69-G101 WeakPolarHBondContact CB-O 3.47Å; T69-G101 VanDerWaalsContact OG1-C 3.26Å; T69-G101 PolarHBondContact OG1-O 2.96Å; T69-E102 PolarHBondContact OG1-N 3.1Å; T69-F136 HydrophobicContact CG2-CB 4.24Å; T69-F136 HydrophobicContact CG2-CG 4.33Å
70A98.9Very high97.5Very high0 Ų045.3 Ų45.30%022%0.217CC..EExtended strand (participates in β ladder)trans-119118.317700000111.1T52 L88 A92 A99 I100 G101T52-A70 HydrophobicContact CG2-CB 3.49Å; T52-A70 VanDerWaalsContact CG2-CB 3.49Å; A70-L88 HydrophobicContact CB-CD2 4.39Å; A70-A92 HydrophobicContact CB-CB 4.27Å; A70-A99 PolarHBondContact N-O 2.74Å; A70-I100 CarbonylContact O-C 3.57Å; A70-I100 VanDerWaalsContact O-CA 3.31Å; A70-I100 WeakPolarHBondContact O-CA 3.37Å; A70-G101 CarbonylContact C-O 3.15Å; A70-G101 WeakPolarHBondContact CA-O 3.4Å; A70-G101 PolarHBondContact N-O 3.2Å; A70-G101 PolarHBondContact O-N 3.42Å
71G98.7Very high97.5Very high0 Ų040.6 Ų40.60%021%0.207CC..  trans-166.1-178.5-176.800000114.7T47 S48 G101T47-G71 CarbonylContact C-O 3.16Å; S48-G71 CarbonylContact C-O 3.49Å; S48-G71 WeakPolarHBondContact CA-O 3.28Å; S48-G71 PolarHBondContact N-O 3.16Å; S48-G71 VanDerWaalsContact N-O 3.11Å; G71-G101 PolarHBondContact N-O 3.31Å; G71-G101 VanDerWaalsContact N-O 3.15Å
72T98.7Very high97.2Very high7 Ų739.1 Ų39.14%0.04321%0.205CC..  trans-127117.3167.5-60.60000108.8T47 D76 F80 E102 V120 Q124T47-T72 CarbonylContact O-C 3.38Å; T47-T72 VanDerWaalsContact O-CA 3.3Å; T47-T72 WeakPolarHBondContact O-CA 3.44Å; T72-D76 HydrophobicContact CG2-CB 4.26Å; T72-F80 HydrophobicContact CG2-CD2 3.95Å; T72-E102 CarbonylContact C-O 3.58Å; T72-V120 HydrophobicContact CG2-CG1 4.32Å; T72-Q124 PolarHBondContact O-NE2 3.15Å
73H98.6Very high97.2Very high15 Ų1542.1 Ų42.17%0.06922%0.221CC..  trans-66.4144.9-179.8-174.7-98.2000110.5T47 H75 D76 A77 E102 H138T47-H73 HydrophobicContact CG2-CB 4.21Å; T47-H73 PolarHBondContact O-N 3.1Å; H73-H75 AromaticContact CE1-CD2 3.37Å; H73-H75 PolarHBondContact CE1-CD2 3.45Å; H73-H75 AromaticContact CE1-CE1 3.58Å; H73-H75 AromaticContact CE1-CG 3.25Å; H73-H75 AromaticContact CE1-ND1 3.42Å; H73-H75 PolarHBondContact CE1-ND1 2.9Å; H73-H75 AromaticContact CE1-NE2 3.56Å; H73-H75 VanDerWaalsContact ND1-CB 3.31Å; H73-H75 WeakPolarHBondContact ND1-CB 3.22Å; H73-H75 AromaticContact ND1-CD2 3.75Å; H73-H75 AromaticContact ND1-CG 3.29Å; H73-H75 VanDerWaalsContact ND1-CG 3.29Å; H73-H75 PolarHBondContact ND1-N 2.81Å; H73-H75 VanDerWaalsContact ND1-N 3.16Å; H73-H75 AromaticContact ND1-ND1 3.73Å; H73-H75 PolarHBondContact O-N 2.98Å; H73-D76 PolarHBondContact O-N 2.77Å; H73-A77 PolarHBondContact O-N 2.98Å; H73-E102 WeakPolarHBondContact CA-O 3.48Å; H73-E102 IonicContact CD2-OE1 3.75Å; H73-E102 PolarHBondContact CD2-OE1 2.98Å; H73-E102 IonicContact CD2-OE2 2.61Å; H73-E102 PolarHBondContact N-O 3.39Å; H73-E102 IonicContact NE2-OE1 2.81Å; H73-E102 PolarHBondContact NE2-OE1 3.1Å; H73-E102 VanDerWaalsContact NE2-OE1 3.1Å; H73-H138 AromaticContact NE2-CD2 3.68Å; H73-H138 AromaticContact NE2-CE1 3.95Å; H73-H138 AromaticContact NE2-CG 3.63Å; H73-H138 AromaticContact NE2-ND1 3.9Å; H73-H138 AromaticContact NE2-NE2 3.85Å
74P98.6Very high97.3Very high2 Ų238.9 Ų38.91%0.01320%0.201CC..G310 helixtrans-54.1-28.9179.114.4-30000114.4D76 A77 G104 D106 S112 Q117P74-D76 VanDerWaalsContact C-N 3.26Å; P74-D76 PolarHBondContact O-N 2.83Å; P74-A77 WeakPolarHBondContact O-CB 3.47Å; P74-A77 PolarHBondContact O-N 2.94Å; P74-G104 WeakPolarHBondContact CB-O 3.48Å; P74-D106 HydrophobicContact CB-CB 4.17Å; P74-D106 HydrophobicContact CG-CB 4.03Å; P74-S112 VanDerWaalsContact O-CB 3.26Å; P74-S112 WeakPolarHBondContact O-CB 3.49Å; P74-S112 PolarHBondContact O-OG 3.41Å; P74-Q117 HydrophobicContact CB-CG 4.25Å
75H97.9Very high97.5Very high43 Ų4336 Ų3620%0.19919%0.185CC..G310 helixtrans-65.5-31.3176.8-63.9-179.2000112.8H73 D106 F111 S112H73-H75 AromaticContact CE1-CD2 3.37Å; H73-H75 PolarHBondContact CE1-CD2 3.45Å; H73-H75 AromaticContact CE1-CE1 3.58Å; H73-H75 AromaticContact CE1-CG 3.25Å; H73-H75 AromaticContact CE1-ND1 3.42Å; H73-H75 PolarHBondContact CE1-ND1 2.9Å; H73-H75 AromaticContact CE1-NE2 3.56Å; H73-H75 VanDerWaalsContact ND1-CB 3.31Å; H73-H75 WeakPolarHBondContact ND1-CB 3.22Å; H73-H75 AromaticContact ND1-CD2 3.75Å; H73-H75 AromaticContact ND1-CG 3.29Å; H73-H75 VanDerWaalsContact ND1-CG 3.29Å; H73-H75 PolarHBondContact ND1-N 2.81Å; H73-H75 VanDerWaalsContact ND1-N 3.16Å; H73-H75 AromaticContact ND1-ND1 3.73Å; H73-H75 PolarHBondContact O-N 2.98Å; H75-D106 IonicContact CD2-OD2 3.91Å; H75-D106 IonicContact CE1-OD2 2.71Å; H75-D106 IonicContact NE2-OD2 3.88Å; H75-D106 PolarHBondContact NE2-OD2 3.47Å; H75-F111 HydrophobicContact CB-CB 4.1Å; H75-F111 HydrophobicContact CB-CD2 3.93Å; H75-F111 AromaticContact CD2-CD2 3.86Å; H75-F111 AromaticContact CE1-CD2 3.73Å; H75-F111 AromaticContact CE1-CE2 3.8Å; H75-F111 AromaticContact CG-CD2 3.46Å; H75-F111 VanDerWaalsContact CG-CD2 3.46Å; H75-F111 AromaticContact ND1-CD2 3.36Å; H75-F111 WeakPolarHBondContact ND1-CD2 3.5Å; H75-F111 AromaticContact ND1-CE2 3.7Å; H75-S112 PolarHBondContact O-OG 2.9Å
76D97.3Very high97.6Very high59 Ų5940.1 Ų40.132%0.31621%0.208SC..G310 helixtrans-98.62.1-178-65.9-45000113.1T72 H73 P74 K78 H79T72-D76 HydrophobicContact CG2-CB 4.26Å; H73-D76 PolarHBondContact O-N 2.77Å; P74-D76 VanDerWaalsContact C-N 3.26Å; P74-D76 PolarHBondContact O-N 2.83Å; D76-K78 PolarHBondContact O-N 3.3Å; D76-K78 VanDerWaalsContact O-N 3.08Å; D76-H79 WeakPolarHBondContact O-CB 3.4Å; D76-H79 PolarHBondContact O-N 3.3Å
77A97.9Very high97.6Very high1 Ų145.4 Ų45.41%0.00823%0.228CC..G310 helixtrans-55.2-31-178.400000113.7H73 P74 H79 F80 S112 T116 Q117 V120H73-A77 PolarHBondContact O-N 2.98Å; P74-A77 WeakPolarHBondContact O-CB 3.47Å; P74-A77 PolarHBondContact O-N 2.94Å; A77-H79 PolarHBondContact O-N 2.68Å; A77-F80 WeakPolarHBondContact O-CB 3.15Å; A77-F80 PolarHBondContact O-N 3.23Å; A77-S112 PolarHBondContact N-OG 3.03Å; A77-T116 HydrophobicContact CB-CG2 4.21Å; A77-T116 VanDerWaalsContact O-CG2 3.23Å; A77-T116 WeakPolarHBondContact O-CG2 3.34Å; A77-Q117 HydrophobicContact CB-CG 4.2Å; A77-V120 HydrophobicContact CB-CB 4.09Å; A77-V120 HydrophobicContact CB-CG1 4.2Å; A77-V120 HydrophobicContact CB-CG2 4.08Å
78K97.4Very high97.6Very high108 Ų10844.5 Ų44.547%0.4722%0.224SC..G310 helixtrans-62.1-20.4174.368.6-172.8169.7-159.90114.3D76 F111 S112D76-K78 PolarHBondContact O-N 3.3Å; D76-K78 VanDerWaalsContact O-N 3.08Å; K78-F111 WeakPolarHBondContact CD-O 3.36Å; K78-F111 WeakPolarHBondContact CE-O 3.35Å; K78-F111 PolarHBondContact NZ-O 3.41Å; K78-S112 WeakPolarHBondContact CB-OG 3.46Å; K78-S112 WeakPolarHBondContact CG-OG 3.48Å; K78-S112 PolarHBondContact N-OG 3.27Å
79H96.6Very high97.6Very high133 Ų13346.9 Ų46.962%0.61624%0.235SC*.G310 helixtrans-97.1-0.8177.5-58.9-55.5000112.5D76 A77 A81D76-H79 WeakPolarHBondContact O-CB 3.4Å; D76-H79 PolarHBondContact O-N 3.3Å; A77-H79 PolarHBondContact O-N 2.68Å; H79-A81 PolarHBondContact O-N 2.93Å
80F96.8Very high97.6Very high40 Ų4053.7 Ų53.718%0.17527%0.267CS..  trans-74.2113.2-180-168.7-86.3000110.9T72 A77 C84 I85 L88 V120T72-F80 HydrophobicContact CG2-CD2 3.95Å; A77-F80 WeakPolarHBondContact O-CB 3.15Å; A77-F80 PolarHBondContact O-N 3.23Å; F80-C84 HydrophobicContact CD2-CB 3.76Å; F80-C84 HydrophobicContact CE1-CB 4.41Å; F80-C84 HydrophobicContact CE2-CB 3.59Å; F80-C84 HydrophobicContact CG-CB 4.27Å; F80-C84 HydrophobicContact CZ-CB 3.95Å; F80-I85 HydrophobicContact CZ-CB 4.06Å; F80-I85 HydrophobicContact CZ-CD1 4.1Å; F80-L88 HydrophobicContact CE2-CD1 4.17Å; F80-V120 HydrophobicContact CB-CB 4.5Å; F80-V120 HydrophobicContact CB-CG1 4.08Å; F80-V120 HydrophobicContact CB-CG2 3.53Å; F80-V120 HydrophobicContact CD1-CG1 4.32Å; F80-V120 HydrophobicContact CD1-CG2 3.71Å; F80-V120 HydrophobicContact CD2-CG1 3.69Å; F80-V120 HydrophobicContact CD2-CG2 4.41Å; F80-V120 HydrophobicContact CE2-CG1 4.15Å; F80-V120 HydrophobicContact CG-CB 4.34Å; F80-V120 HydrophobicContact CG-CG1 3.77Å; F80-V120 HydrophobicContact CG-CG2 3.63Å
81A95.9Very high97.6Very high36 Ų3654.5 Ų54.530%0.29827%0.271SS..  trans-98157.5170.100000110.1H79 E83 C84H79-A81 PolarHBondContact O-N 2.93Å; A81-E83 VanDerWaalsContact CB-OE2 3.24Å; A81-E83 WeakPolarHBondContact CB-OE2 3.45Å; A81-E83 PolarHBondContact O-N 2.94Å; A81-E83 VanDerWaalsContact O-N 3.16Å; A81-C84 PolarHBondContact N-SG 3.09Å; A81-C84 VanDerWaalsContact N-SG 3.45Å; A81-C84 WeakPolarHBondContact O-CB 3.37Å; A81-C84 PolarHBondContact O-N 3.41Å; A81-C84 PolarHBondContact O-SG 3.19Å
82P91.6Very high97.6Very high97 Ų9754.5 Ų54.563%0.6327%0.271SS*.THydrogen-bonded Turntrans-52-38.1179-27.936.5000113.8C84 I85P82-C84 PolarHBondContact O-N 3.38Å; P82-C84 VanDerWaalsContact O-N 3.16Å; P82-I85 VanDerWaalsContact O-CG2 3.32Å; P82-I85 WeakPolarHBondContact O-CG2 3.26Å; P82-I85 PolarHBondContact O-N 2.91Å; P82-I85 VanDerWaalsContact O-N 3.16Å
83E95.9Very high97.5Very high119 Ų11956.8 Ų56.856%0.55630%0.297SS*.Hα-helixtrans-66.8-16.5-179.8-53.476.8-168.500112.8A81 I85 D86 R87A81-E83 VanDerWaalsContact CB-OE2 3.24Å; A81-E83 WeakPolarHBondContact CB-OE2 3.45Å; A81-E83 PolarHBondContact O-N 2.94Å; A81-E83 VanDerWaalsContact O-N 3.16Å; E83-I85 VanDerWaalsContact C-N 3.26Å; E83-I85 PolarHBondContact O-N 2.82Å; E83-D86 PolarHBondContact O-N 3.35Å; E83-R87 WeakPolarHBondContact O-CG 3.23Å; E83-R87 PolarHBondContact O-N 3.29Å
84C97.7Very high97.5Very high22 Ų2258.6 Ų58.615%0.14931%0.305CS..Hα-helixtrans-62.5-34.9174-65.70000111.4V49 F80 A81 P82 R87 L88V49-C84 HydrophobicContact CG2-CB 4Å; F80-C84 HydrophobicContact CD2-CB 3.76Å; F80-C84 HydrophobicContact CE1-CB 4.41Å; F80-C84 HydrophobicContact CE2-CB 3.59Å; F80-C84 HydrophobicContact CG-CB 4.27Å; F80-C84 HydrophobicContact CZ-CB 3.95Å; A81-C84 PolarHBondContact N-SG 3.09Å; A81-C84 VanDerWaalsContact N-SG 3.45Å; A81-C84 WeakPolarHBondContact O-CB 3.37Å; A81-C84 PolarHBondContact O-N 3.41Å; A81-C84 PolarHBondContact O-SG 3.19Å; P82-C84 PolarHBondContact O-N 3.38Å; P82-C84 VanDerWaalsContact O-N 3.16Å; C84-R87 PolarHBondContact O-N 3.07Å; C84-L88 WeakPolarHBondContact O-CB 2.71Å; C84-L88 VanDerWaalsContact O-CG 3.29Å; C84-L88 WeakPolarHBondContact O-CG 3.25Å; C84-L88 PolarHBondContact O-N 2.87Å
85I98.2Very high97.3Very high37 Ų3763.6 Ų63.619%0.1934%0.338CS..Hα-helixtrans-67.3-39.8-178-155.765.7000111.7F80 P82 E83 R87 L88 E89 A123 Q124 L127F80-I85 HydrophobicContact CZ-CB 4.06Å; F80-I85 HydrophobicContact CZ-CD1 4.1Å; P82-I85 VanDerWaalsContact O-CG2 3.32Å; P82-I85 WeakPolarHBondContact O-CG2 3.26Å; P82-I85 PolarHBondContact O-N 2.91Å; P82-I85 VanDerWaalsContact O-N 3.16Å; E83-I85 VanDerWaalsContact C-N 3.26Å; E83-I85 PolarHBondContact O-N 2.82Å; I85-R87 VanDerWaalsContact C-N 3.35Å; I85-R87 PolarHBondContact O-N 3.43Å; I85-L88 PolarHBondContact O-N 3.49Å; I85-E89 WeakPolarHBondContact O-CB 3.4Å; I85-E89 PolarHBondContact O-N 3.4Å; I85-A123 HydrophobicContact CD1-CB 4.43Å; I85-Q124 HydrophobicContact CD1-CG 4.27Å; I85-L127 HydrophobicContact CD1-CB 3.96Å; I85-L127 HydrophobicContact CD1-CD2 3.78Å; I85-L127 HydrophobicContact CD1-CG 4.44Å; I85-L127 HydrophobicContact CG1-CB 4.43Å; I85-L127 HydrophobicContact CG1-CD2 4.29Å
86D98Very high97.3Very high103 Ų10363.8 Ų63.855%0.55134%0.339SS*.Hα-helixtrans-66.5-39.9178.3-60.5-36.2000110.8E83 E89 E90E83-D86 PolarHBondContact O-N 3.35Å; D86-E89 WeakPolarHBondContact O-CB 3.24Å; D86-E89 PolarHBondContact O-N 3.03Å; D86-E90 PolarHBondContact O-N 2.9Å
87R98.6Very high97.4Very high113 Ų11361 Ų6143%0.42632%0.324SS..Hα-helixtrans-67.8-38.4175.7-67.3176.868.4-168.5-9.1112.2V49 D50 E83 C84 I85 E89 E90 L91V49-R87 HydrophobicContact CG1-CB 3.78Å; V49-R87 VanDerWaalsContact CG1-CZ 3.49Å; V49-R87 HydrophobicContact CG2-CB 4.3Å; D50-R87 IonicContact OD1-NH2 3.46Å; D50-R87 PolarHBondContact OD1-NH2 3.39Å; E83-R87 WeakPolarHBondContact O-CG 3.23Å; E83-R87 PolarHBondContact O-N 3.29Å; C84-R87 PolarHBondContact O-N 3.07Å; I85-R87 VanDerWaalsContact C-N 3.35Å; I85-R87 PolarHBondContact O-N 3.43Å; R87-E89 VanDerWaalsContact C-N 3.34Å; R87-E90 PolarHBondContact O-N 3.15Å; R87-L91 WeakPolarHBondContact O-CG 3.41Å; R87-L91 PolarHBondContact O-N 2.97Å; R87-L91 VanDerWaalsContact O-N 3.14Å
88L98.7Very high97.4Very high0 Ų061.5 Ų61.50%033%0.327CS..Hα-helixtrans-66-37.8173.3-72.7177.1000111.2V49 A70 F80 C84 I85 L91 A92 L127V49-L88 HydrophobicContact CG2-CD2 3.97Å; V49-L88 HydrophobicContact CG2-CG 3.97Å; A70-L88 HydrophobicContact CB-CD2 4.39Å; F80-L88 HydrophobicContact CE2-CD1 4.17Å; C84-L88 WeakPolarHBondContact O-CB 2.71Å; C84-L88 VanDerWaalsContact O-CG 3.29Å; C84-L88 WeakPolarHBondContact O-CG 3.25Å; C84-L88 PolarHBondContact O-N 2.87Å; I85-L88 PolarHBondContact O-N 3.49Å; L88-L91 PolarHBondContact O-N 3.04Å; L88-A92 WeakPolarHBondContact O-CB 3.43Å; L88-A92 PolarHBondContact O-N 3.17Å; L88-L127 HydrophobicContact CB-CD2 3.98Å
89E98.7Very high97.5Very high50 Ų5056.4 Ų56.423%0.23430%0.304CS..Hα-helixtrans-61.4-45.7175-178.6165.4-163.800111.9I85 D86 R87 L91 A92 G93 L127 K130 L131I85-E89 WeakPolarHBondContact O-CB 3.4Å; I85-E89 PolarHBondContact O-N 3.4Å; D86-E89 WeakPolarHBondContact O-CB 3.24Å; D86-E89 PolarHBondContact O-N 3.03Å; R87-E89 VanDerWaalsContact C-N 3.34Å; E89-L91 PolarHBondContact O-N 3.46Å; E89-A92 PolarHBondContact O-N 2.73Å; E89-G93 PolarHBondContact O-N 3.04Å; E89-L127 HydrophobicContact CB-CD1 3.71Å; E89-L127 HydrophobicContact CG-CD1 3.92Å; E89-K130 WeakPolarHBondContact OE1-CE 3.48Å; E89-K130 IonicContact OE1-NZ 2.99Å; E89-K130 PolarHBondContact OE1-NZ 3.27Å; E89-K130 IonicContact OE2-NZ 3.01Å; E89-K130 PolarHBondContact OE2-NZ 3.24Å; E89-L131 HydrophobicContact CG-CD1 4.35Å; E89-L131 HydrophobicContact CG-CD2 4.24Å
90E98.6Very high97.6Very high142 Ų14250 Ų5066%0.66428%0.275SS*.Hα-helixtrans-59.1-46.4176.1-173.7-171.4172.200111.9D86 R87 G93D86-E90 PolarHBondContact O-N 2.9Å; R87-E90 PolarHBondContact O-N 3.15Å; E90-G93 PolarHBondContact O-N 2.86Å
91L98.7Very high97.6Very high17 Ų1748.1 Ų48.19%0.08927%0.267CS..Hα-helixtrans-67-38.5178.3-70166.9000111.8V49 T52 K53 M56 R87 L88 E89 G93 Q94V49-L91 HydrophobicContact CG1-CD1 4.08Å; T52-L91 HydrophobicContact CG2-CB 3.89Å; T52-L91 HydrophobicContact CG2-CD1 3.74Å; T52-L91 HydrophobicContact CG2-CG 4.3Å; K53-L91 HydrophobicContact CB-CD2 4.39Å; M56-L91 HydrophobicContact CE-CD2 4.33Å; M56-L91 HydrophobicContact SD-CD2 3.91Å; R87-L91 WeakPolarHBondContact O-CG 3.41Å; R87-L91 PolarHBondContact O-N 2.97Å; R87-L91 VanDerWaalsContact O-N 3.14Å; L88-L91 PolarHBondContact O-N 3.04Å; E89-L91 PolarHBondContact O-N 3.46Å; L91-G93 PolarHBondContact O-N 2.61Å; L91-Q94 WeakPolarHBondContact O-CB 3.44Å; L91-Q94 VanDerWaalsContact O-CG 3.28Å; L91-Q94 WeakPolarHBondContact O-CG 3.28Å; L91-Q94 PolarHBondContact O-N 2.86Å
92A98.6Very high97.8Very high0 Ų047 Ų470%026%0.255CS..Hα-helixtrans-68.3-23.9176.400000112.6A70 L88 E89 Q94 I100 L131 K133A70-A92 HydrophobicContact CB-CB 4.27Å; L88-A92 WeakPolarHBondContact O-CB 3.43Å; L88-A92 PolarHBondContact O-N 3.17Å; E89-A92 PolarHBondContact O-N 2.73Å; A92-Q94 PolarHBondContact O-N 3.44Å; A92-I100 HydrophobicContact CB-CD1 3.58Å; A92-L131 HydrophobicContact CB-CD1 3.53Å; A92-K133 HydrophobicContact CB-CD 4.41Å; A92-K133 WeakPolarHBondContact O-CE 3.44Å; A92-K133 PolarHBondContact O-NZ 2.86Å
93G97.6Very high98.1Very high56 Ų5642.3 Ų42.358%0.57723%0.225SC*.THydrogen-bonded Turntrans-65.9-13.6173.400000114.5E89 E90 L91E89-G93 PolarHBondContact O-N 3.04Å; E90-G93 PolarHBondContact O-N 2.86Å; L91-G93 PolarHBondContact O-N 2.61Å
94Q97.7Very high98.2Very high52 Ų5236.8 Ų36.824%0.24320%0.199CC..SBendtrans-72.1144.1177.6-55.5-59.7-62.100111.5M56 F68 L91 A92 E96 C97M56-Q94 HydrophobicContact CG-CG 4.36Å; M56-Q94 HydrophobicContact SD-CG 3.73Å; F68-Q94 HydrophobicContact CE1-CB 4.41Å; F68-Q94 HydrophobicContact CZ-CB 4.1Å; F68-Q94 HydrophobicContact CZ-CG 4.46Å; L91-Q94 WeakPolarHBondContact O-CB 3.44Å; L91-Q94 VanDerWaalsContact O-CG 3.28Å; L91-Q94 WeakPolarHBondContact O-CG 3.28Å; L91-Q94 PolarHBondContact O-N 2.86Å; A92-Q94 PolarHBondContact O-N 3.44Å; Q94-E96 VanDerWaalsContact C-N 3.26Å; Q94-E96 PolarHBondContact O-N 3.03Å; Q94-C97 WeakPolarHBondContact O-CB 3.29Å; Q94-C97 PolarHBondContact O-N 2.92Å; Q94-C97 VanDerWaalsContact O-N 3.07Å
95P95.4Very high98.3Very high108 Ų10835.7 Ų35.770%0.70119%0.192SC*.THydrogen-bonded Turntrans-64.8-28.7-176.624.8-32.7000113.3C97P95-C97 VanDerWaalsContact C-N 3.27Å; P95-C97 PolarHBondContact O-N 3Å
96E97.2Very high98.3Very high47 Ų4734.1 Ų34.122%0.2218%0.184CC..THydrogen-bonded Turntrans-79.7-9.9177.8-47.286.8161.200112.7C59 Y67 F68 Q94 V98C59-E96 HydrophobicContact CB-CB 4.21Å; C59-E96 HydrophobicContact CB-CG 4.48Å; Y67-E96 WeakPolarHBondContact CA-O 3.22Å; Y67-E96 WeakPolarHBondContact CB-O 3.35Å; F68-E96 HydrophobicContact CD1-CB 3.98Å; F68-E96 WeakPolarHBondContact CD1-O 3.14Å; F68-E96 HydrophobicContact CE1-CB 3.86Å; F68-E96 PolarHBondContact N-O 3.17Å; Q94-E96 VanDerWaalsContact C-N 3.26Å; Q94-E96 PolarHBondContact O-N 3.03Å; E96-V98 PolarHBondContact O-N 2.88Å
97C98.7Very high98.3Very high1 Ų130.9 Ų30.91%0.00717%0.165CC..EExtended strand (participates in β ladder)trans-82.8109.4174.3-168.80000110.8F68 Q94 P95 K133F68-C97 HydrophobicContact CD2-CB 4.18Å; F68-C97 HydrophobicContact CE1-CB 3.98Å; F68-C97 HydrophobicContact CE2-CB 3.58Å; F68-C97 HydrophobicContact CZ-CB 3.48Å; F68-C97 VanDerWaalsContact CZ-CB 3.48Å; F68-C97 CarbonylContact O-C 3.25Å; F68-C97 VanDerWaalsContact O-CA 3.29Å; F68-C97 WeakPolarHBondContact O-CA 3.49Å; Q94-C97 WeakPolarHBondContact O-CB 3.29Å; Q94-C97 PolarHBondContact O-N 2.92Å; Q94-C97 VanDerWaalsContact O-N 3.07Å; P95-C97 VanDerWaalsContact C-N 3.27Å; P95-C97 PolarHBondContact O-N 3Å; C97-K133 PolarHBondContact O-NZ 2.79Å
98V98.6Very high98.2Very high11 Ų1128.4 Ų28.47%0.06716%0.161CC..EExtended strand (participates in β ladder)trans-101.9-13.4-169.5-64.30000114.5I43 Y67 F68 E96 P134 F289 L291I43-V98 HydrophobicContact CD1-CG2 3.87Å; I43-V98 HydrophobicContact CG1-CG2 4.22Å; I43-V98 HydrophobicContact CG2-CG2 3.93Å; Y67-V98 HydrophobicContact CD1-CG1 3.5Å; Y67-V98 HydrophobicContact CE1-CG1 4.39Å; Y67-V98 HydrophobicContact CG-CG1 3.98Å; F68-V98 PolarHBondContact O-N 3.06Å; E96-V98 PolarHBondContact O-N 2.88Å; V98-P134 VanDerWaalsContact O-CD 3.29Å; V98-P134 WeakPolarHBondContact O-CD 3.34Å; V98-F289 HydrophobicContact CB-CB 3.93Å; V98-F289 HydrophobicContact CB-CD1 4.15Å; V98-F289 HydrophobicContact CB-CG 4.46Å; V98-F289 HydrophobicContact CG1-CB 4.47Å; V98-F289 WeakPolarHBondContact CG1-O 3.43Å; V98-F289 HydrophobicContact CG2-CB 4.09Å; V98-F289 HydrophobicContact CG2-CD1 3.87Å; V98-F289 HydrophobicContact CG2-CG 4.22Å; V98-L291 HydrophobicContact CG1-CD2 4.07Å
99A98.9Very high98Very high0 Ų035 Ų350%019%0.186CC..EExtended strand (participates in β ladder)trans-156.2158.3178.900000112.5T69 A70 P134 F136 F289T69-A99 WeakPolarHBondContact CA-O 3.37Å; T69-A99 HydrophobicContact CG2-CB 3.98Å; A70-A99 PolarHBondContact N-O 2.74Å; A99-P134 WeakPolarHBondContact CA-O 3.28Å; A99-P134 HydrophobicContact CB-CB 4.2Å; A99-P134 WeakPolarHBondContact CB-O 3.33Å; A99-F136 HydrophobicContact CB-CB 4.35Å; A99-F289 HydrophobicContact CB-CD1 4.15Å; A99-F289 HydrophobicContact CB-CE1 3.85Å
100I98.9Very high97.8Very high0 Ų036.8 Ų36.80%020%0.195CC..EExtended strand (participates in β ladder)trans-87.1125.8164.8-58.7-55.2000108.4A70 A92 Q124 L127 A128 L131 K133 P134 L135 F136A70-I100 CarbonylContact O-C 3.57Å; A70-I100 VanDerWaalsContact O-CA 3.31Å; A70-I100 WeakPolarHBondContact O-CA 3.37Å; A92-I100 HydrophobicContact CB-CD1 3.58Å; I100-Q124 HydrophobicContact CG2-CB 4.15Å; I100-L127 HydrophobicContact CD1-CD2 4.1Å; I100-L127 HydrophobicContact CD1-CG 4.26Å; I100-A128 HydrophobicContact CB-CB 3.94Å; I100-A128 HydrophobicContact CG1-CB 3.85Å; I100-A128 HydrophobicContact CG2-CB 4.42Å; I100-L131 HydrophobicContact CD1-CD1 4.29Å; I100-K133 HydrophobicContact CD1-CD 4.39Å; I100-K133 HydrophobicContact CG1-CB 4.23Å; I100-P134 PolarHBondContact N-O 3.32Å; I100-L135 HydrophobicContact CB-CD2 4.14Å; I100-L135 HydrophobicContact CG2-CD2 4.18Å; I100-L135 CarbonylContact O-C 3.55Å; I100-L135 WeakPolarHBondContact O-CA 3.45Å; I100-F136 PolarHBondContact O-N 2.88Å
101G98.4Very high97.7Very high0 Ų035.3 Ų35.30%019%0.186CC..EExtended strand (participates in β ladder)trans141.7175.3-174.900000111.2G46 T69 A70 G71 F136G46-G101 CarbonylContact O-C 3.35Å; G46-G101 VanDerWaalsContact O-C 3.25Å; T69-G101 CarbonylContact C-O 3.2Å; T69-G101 WeakPolarHBondContact CB-O 3.47Å; T69-G101 VanDerWaalsContact OG1-C 3.26Å; T69-G101 PolarHBondContact OG1-O 2.96Å; A70-G101 CarbonylContact C-O 3.15Å; A70-G101 WeakPolarHBondContact CA-O 3.4Å; A70-G101 PolarHBondContact N-O 3.2Å; A70-G101 PolarHBondContact O-N 3.42Å; G71-G101 PolarHBondContact N-O 3.31Å; G71-G101 VanDerWaalsContact N-O 3.15Å; G101-F136 WeakPolarHBondContact CA-O 3.33Å
102E98.7Very high97.7Very high11 Ų1134.6 Ų34.65%0.05118%0.183CC..EExtended strand (participates in β ladder)cis-67.1123.7-1.5-165.7-178.3156.900111.1T45 G46 T47 T69 T72 H73 F136 H138 H163T45-E102 HydrophobicContact CG2-CB 3.58Å; T45-E102 HydrophobicContact CG2-CG 4.4Å; T45-E102 VanDerWaalsContact CG2-OE2 3.25Å; T45-E102 WeakPolarHBondContact CG2-OE2 3.3Å; G46-E102 PolarHBondContact O-N 2.97Å; T47-E102 HydrophobicContact CG2-CB 4.27Å; T69-E102 PolarHBondContact OG1-N 3.1Å; T72-E102 CarbonylContact C-O 3.58Å; H73-E102 WeakPolarHBondContact CA-O 3.48Å; H73-E102 IonicContact CD2-OE1 3.75Å; H73-E102 PolarHBondContact CD2-OE1 2.98Å; H73-E102 IonicContact CD2-OE2 2.61Å; H73-E102 PolarHBondContact N-O 3.39Å; H73-E102 IonicContact NE2-OE1 2.81Å; H73-E102 PolarHBondContact NE2-OE1 3.1Å; H73-E102 VanDerWaalsContact NE2-OE1 3.1Å; E102-F136 WeakPolarHBondContact CA-O 3.44Å; E102-F136 HydrophobicContact CB-CD1 4.1Å; E102-F136 HydrophobicContact CB-CE1 4.41Å; E102-F136 HydrophobicContact CG-CD1 4.26Å; E102-F136 HydrophobicContact CG-CE1 4.36Å; E102-H138 HydrophobicContact CG-CB 3.88Å; E102-H138 WeakPolarHBondContact OE1-CB 3.36Å; E102-H138 IonicContact OE1-CG 3.73Å; E102-H138 IonicContact OE1-ND1 2.79Å; E102-H138 PolarHBondContact OE1-ND1 3.42Å; E102-H163 VanDerWaalsContact CD-CE1 3.43Å; E102-H163 VanDerWaalsContact CG-NE2 3.32Å; E102-H163 WeakPolarHBondContact CG-NE2 3.29Å; E102-H163 IonicContact OE1-CE1 3.1Å; E102-H163 PolarHBondContact OE1-CE1 3.13Å; E102-H163 VanDerWaalsContact OE1-CE1 3.24Å; E102-H163 IonicContact OE1-NE2 2.72Å; E102-H163 PolarHBondContact OE1-NE2 3.01Å; E102-H163 IonicContact OE2-CE1 3.14Å
103C98.7Very high97.6Very high0 Ų038 Ų380%021%0.205CC..EExtended strand (participates in β ladder)trans-138.1172.9177.665.20000108.5F121 Q124 F136 V137 H138C103-F121 HydrophobicContact CB-CD2 4.3Å; C103-Q124 HydrophobicContact CB-CB 4.31Å; C103-F136 PolarHBondContact N-O 3.07Å; C103-V137 CarbonylContact O-C 3.04Å; C103-V137 VanDerWaalsContact O-CA 3.27Å; C103-V137 WeakPolarHBondContact O-CA 3.49Å; C103-H138 PolarHBondContact O-N 3.21Å
104G98.7Very high97.7Very high2 Ų241.5 Ų41.52%0.02120%0.201CC..EExtended strand (participates in β ladder)trans135.6-144.7176.900000111.5P74 F121 H138P74-G104 WeakPolarHBondContact CB-O 3.48Å; G104-F121 VanDerWaalsContact CA-CD2 3.47Å; G104-H138 VanDerWaalsContact CA-O 3.32Å; G104-H138 WeakPolarHBondContact CA-O 3.46Å
105L98.8Very high97.7Very high0 Ų045.6 Ų45.60%022%0.22CC..EExtended strand (participates in β ladder)trans-138.2138.6-170-59175.6000111.5F107 Q117 L118 F121 H138 E139 R140 A142 A145 L146L105-F107 HydrophobicContact CB-CE1 4.19Å; L105-F107 HydrophobicContact CB-CZ 4.44Å; L105-F107 HydrophobicContact CD1-CZ 4.11Å; L105-F107 HydrophobicContact CD2-CE1 4.29Å; L105-F107 HydrophobicContact CD2-CZ 4.49Å; L105-Q117 HydrophobicContact CD2-CB 3.78Å; L105-L118 HydrophobicContact CD1-CD2 3.86Å; L105-L118 HydrophobicContact CD2-CD2 4Å; L105-L118 HydrophobicContact CD2-CG 4.48Å; L105-F121 HydrophobicContact CD1-CD1 4.31Å; L105-F121 HydrophobicContact CD2-CB 4.05Å; L105-F121 HydrophobicContact CD2-CD1 4.32Å; L105-F121 HydrophobicContact CD2-CG 4.49Å; L105-F121 HydrophobicContact CG-CD1 4.06Å; L105-H138 PolarHBondContact N-O 2.74Å; L105-E139 VanDerWaalsContact O-CA 3.27Å; L105-E139 WeakPolarHBondContact O-CA 3.44Å; L105-R140 PolarHBondContact O-N 2.88Å; L105-A142 HydrophobicContact CB-CB 3.47Å; L105-A142 VanDerWaalsContact CB-CB 3.47Å; L105-A142 HydrophobicContact CD1-CB 4.19Å; L105-A142 HydrophobicContact CG-CB 4.49Å; L105-A145 HydrophobicContact CD1-CB 3.89Å; L105-L146 HydrophobicContact CB-CD1 4.47Å; L105-L146 HydrophobicContact CD1-CB 4.19Å; L105-L146 HydrophobicContact CD1-CD1 4.17Å; L105-L146 HydrophobicContact CG-CD1 4.14Å
106D98.5Very high97.8Very high4 Ų442.6 Ų42.62%0.02120%0.2CC..EExtended strand (participates in β ladder)trans-137.496.1174.7-168.2-38.2000109.8P74 H75 N108 R109 M110 Q117 H138 R140P74-D106 HydrophobicContact CB-CB 4.17Å; P74-D106 HydrophobicContact CG-CB 4.03Å; H75-D106 IonicContact CD2-OD2 3.91Å; H75-D106 IonicContact CE1-OD2 2.71Å; H75-D106 IonicContact NE2-OD2 3.88Å; H75-D106 PolarHBondContact NE2-OD2 3.47Å; D106-N108 VanDerWaalsContact C-N 3.33Å; D106-N108 PolarHBondContact OD1-N 3.46Å; D106-N108 VanDerWaalsContact OD1-N 3.11Å; D106-R109 PolarHBondContact OD1-N 2.95Å; D106-M110 PolarHBondContact O-N 3.2Å; D106-Q117 PolarHBondContact O-NE2 3.44Å; D106-Q117 PolarHBondContact O-OE1 3.24Å; D106-H138 IonicContact OD2-CD2 3.58Å; D106-H138 IonicContact OD2-CE1 2.97Å; D106-H138 IonicContact OD2-NE2 2.68Å; D106-H138 PolarHBondContact OD2-NE2 3.12Å; D106-R140 HydrophobicContact CB-CB 4.44Å
107F98Very high97.9Very high35 Ų3540.4 Ų40.415%0.15419%0.189CC..THydrogen-bonded Turntrans-90.7-2.7177.2-62.1-11.4000112.8L105 M110 R114 L118 R140 E141 A142 A145L105-F107 HydrophobicContact CB-CE1 4.19Å; L105-F107 HydrophobicContact CB-CZ 4.44Å; L105-F107 HydrophobicContact CD1-CZ 4.11Å; L105-F107 HydrophobicContact CD2-CE1 4.29Å; L105-F107 HydrophobicContact CD2-CZ 4.49Å; F107-M110 HydrophobicContact CB-SD 4.33Å; F107-M110 HydrophobicContact CD1-SD 4.04Å; F107-M110 WeakPolarHBondContact O-CG 3.42Å; F107-R114 HydrophobicContact CD1-CG 4.35Å; F107-R114 HydrophobicContact CE1-CB 4.37Å; F107-R114 HydrophobicContact CE1-CG 3.69Å; F107-R114 HydrophobicContact CE2-CG 4.39Å; F107-R114 HydrophobicContact CZ-CG 3.72Å; F107-L118 HydrophobicContact CZ-CD2 4.13Å; F107-L118 HydrophobicContact CZ-CG 4.5Å; F107-R140 PolarHBondContact N-O 2.86Å; F107-E141 WeakPolarHBondContact CB-O 3.43Å; F107-A142 HydrophobicContact CB-CB 4.3Å; F107-A142 HydrophobicContact CD1-CB 4.11Å; F107-A142 HydrophobicContact CD2-CB 3.46Å; F107-A142 VanDerWaalsContact CD2-CB 3.46Å; F107-A142 HydrophobicContact CE1-CB 4.24Å; F107-A142 HydrophobicContact CE2-CB 3.64Å; F107-A142 HydrophobicContact CG-CB 3.71Å; F107-A142 HydrophobicContact CZ-CB 4.02Å; F107-A145 HydrophobicContact CE2-CB 3.72Å; F107-A145 HydrophobicContact CZ-CB 3.95Å
108N96Very high97.9Very high61 Ų6142 Ų4233%0.32620%0.197SC..THydrogen-bonded Turntrans-82.7-41176.1-174.8-120.9000112D106 R140 E141D106-N108 VanDerWaalsContact C-N 3.33Å; D106-N108 PolarHBondContact OD1-N 3.46Å; D106-N108 VanDerWaalsContact OD1-N 3.11Å; N108-R140 HydrophobicContact CB-CB 4.06Å; N108-E141 WeakPolarHBondContact CA-OE2 3.17Å; N108-E141 HydrophobicContact CB-CB 4.23Å; N108-E141 HydrophobicContact CB-CG 4.02Å; N108-E141 WeakPolarHBondContact CB-OE2 3.5Å; N108-E141 PolarHBondContact ND2-OE1 3.22Å; N108-E141 PolarHBondContact ND2-OE2 3.24Å
109R94.9Very high97.9Very high139 Ų13949.2 Ų49.253%0.52523%0.228SC..THydrogen-bonded Turntrans-95.1-34.6-179.1-63.8-65.7-178.1-98.6-18.4113.3D106 F111D106-R109 PolarHBondContact OD1-N 2.95Å; R109-F111 HydrophobicContact CB-CD1 4.43Å; R109-F111 HydrophobicContact CB-CD2 4.05Å; R109-F111 HydrophobicContact CB-CE1 4.34Å; R109-F111 HydrophobicContact CB-CE2 3.93Å; R109-F111 HydrophobicContact CB-CG 4.29Å; R109-F111 HydrophobicContact CB-CZ 4.08Å; R109-F111 HydrophobicContact CG-CE2 4.23Å; R109-F111 HydrophobicContact CG-CZ 4.39Å; R109-F111 PolarHBondContact O-N 3.02Å; R109-F111 VanDerWaalsContact O-N 3.16Å
110M94.4Very high97.9Very high86 Ų8649.6 Ų49.642%0.42423%0.23SC..  trans52.736177-69.8-66.1-69.400114.5D106 F107 S112 R114D106-M110 PolarHBondContact O-N 3.2Å; F107-M110 HydrophobicContact CB-SD 4.33Å; F107-M110 HydrophobicContact CD1-SD 4.04Å; F107-M110 WeakPolarHBondContact O-CG 3.42Å; M110-S112 PolarHBondContact O-N 3.27Å; M110-R114 HydrophobicContact CE-CB 3.93Å
111F97Very high97.9Very high111 Ų11149.6 Ų49.649%0.48723%0.23SC..SBendtrans-67.7-14.6176.8-64.9-32.9000113.9H75 K78 R109H75-F111 HydrophobicContact CB-CB 4.1Å; H75-F111 HydrophobicContact CB-CD2 3.93Å; H75-F111 AromaticContact CD2-CD2 3.86Å; H75-F111 AromaticContact CE1-CD2 3.73Å; H75-F111 AromaticContact CE1-CE2 3.8Å; H75-F111 AromaticContact CG-CD2 3.46Å; H75-F111 VanDerWaalsContact CG-CD2 3.46Å; H75-F111 AromaticContact ND1-CD2 3.36Å; H75-F111 WeakPolarHBondContact ND1-CD2 3.5Å; H75-F111 AromaticContact ND1-CE2 3.7Å; K78-F111 WeakPolarHBondContact CD-O 3.36Å; K78-F111 WeakPolarHBondContact CE-O 3.35Å; K78-F111 PolarHBondContact NZ-O 3.41Å; R109-F111 HydrophobicContact CB-CD1 4.43Å; R109-F111 HydrophobicContact CB-CD2 4.05Å; R109-F111 HydrophobicContact CB-CE1 4.34Å; R109-F111 HydrophobicContact CB-CE2 3.93Å; R109-F111 HydrophobicContact CB-CG 4.29Å; R109-F111 HydrophobicContact CB-CZ 4.08Å; R109-F111 HydrophobicContact CG-CE2 4.23Å; R109-F111 HydrophobicContact CG-CZ 4.39Å; R109-F111 PolarHBondContact O-N 3.02Å; R109-F111 VanDerWaalsContact O-N 3.16Å
112S97.6Very high97.9Very high2 Ų251.2 Ų51.21%0.01424%0.239CC..SBendtrans-128.8150.6167.4-70.20000110.4P74 H75 A77 K78 M110 Q117P74-S112 VanDerWaalsContact O-CB 3.26Å; P74-S112 WeakPolarHBondContact O-CB 3.49Å; P74-S112 PolarHBondContact O-OG 3.41Å; H75-S112 PolarHBondContact O-OG 2.9Å; A77-S112 PolarHBondContact N-OG 3.03Å; K78-S112 WeakPolarHBondContact CB-OG 3.46Å; K78-S112 WeakPolarHBondContact CG-OG 3.48Å; K78-S112 PolarHBondContact N-OG 3.27Å; M110-S112 PolarHBondContact O-N 3.27Å; S112-Q117 PolarHBondContact O-NE2 2.77Å
113P97.9Very high97.9Very high72 Ų7252 Ų5247%0.46825%0.247SC..  trans-59.4142.9179.4-22.433000112.6E115 T116 Q117P113-E115 PolarHBondContact O-N 3.49Å; P113-T116 WeakPolarHBondContact O-CA 3.41Å; P113-T116 WeakPolarHBondContact O-CB 3.37Å; P113-T116 PolarHBondContact O-N 3.4Å; P113-Q117 WeakPolarHBondContact O-CG 3.32Å; P113-Q117 PolarHBondContact O-N 3.2Å
114R98.2Very high97.9Very high130 Ų13052 Ų5249%0.49125%0.247SC..Hα-helixtrans-51.3-51.6-178.1177.4170.8-176.6-172.30.8112.7F107 M110 T116 Q117 L118F107-R114 HydrophobicContact CD1-CG 4.35Å; F107-R114 HydrophobicContact CE1-CB 4.37Å; F107-R114 HydrophobicContact CE1-CG 3.69Å; F107-R114 HydrophobicContact CE2-CG 4.39Å; F107-R114 HydrophobicContact CZ-CG 3.72Å; M110-R114 HydrophobicContact CE-CB 3.93Å; R114-T116 VanDerWaalsContact C-N 3.26Å; R114-T116 PolarHBondContact O-N 3.39Å; R114-Q117 WeakPolarHBondContact O-CB 3.34Å; R114-Q117 PolarHBondContact O-N 2.95Å; R114-Q117 VanDerWaalsContact O-N 3.12Å; R114-L118 HydrophobicContact CG-CD1 4.05Å; R114-L118 HydrophobicContact CG-CG 4.43Å; R114-L118 WeakPolarHBondContact O-CG 3.21Å; R114-L118 PolarHBondContact O-N 3.22Å
115E98Very high97.9Very high138 Ų13852 Ų5265%0.64525%0.246SC*.Hα-helixtrans-60.3-36.5179.2-64.7-52.8128.300112.7P113 K119P113-E115 PolarHBondContact O-N 3.49Å; E115-K119 WeakPolarHBondContact O-CB 3.46Å; E115-K119 PolarHBondContact O-N 3.42Å
116T98.4Very high97.9Very high45 Ų4556.7 Ų56.728%0.27627%0.269SS..Hα-helixtrans-66.7-45.5174.7-520000110.9A77 P113 R114 L118 K119 V120A77-T116 HydrophobicContact CB-CG2 4.21Å; A77-T116 VanDerWaalsContact O-CG2 3.23Å; A77-T116 WeakPolarHBondContact O-CG2 3.34Å; P113-T116 WeakPolarHBondContact O-CA 3.41Å; P113-T116 WeakPolarHBondContact O-CB 3.37Å; P113-T116 PolarHBondContact O-N 3.4Å; R114-T116 VanDerWaalsContact C-N 3.26Å; R114-T116 PolarHBondContact O-N 3.39Å; T116-L118 PolarHBondContact O-N 2.95Å; T116-K119 PolarHBondContact O-N 3.02Å; T116-V120 HydrophobicContact CG2-CG2 4.19Å; T116-V120 WeakPolarHBondContact O-CB 3.21Å; T116-V120 WeakPolarHBondContact O-CG2 3.35Å; T116-V120 PolarHBondContact O-N 2.85Å
117Q98.7Very high97.9Very high1 Ų156.8 Ų56.81%0.00527%0.269CS..Hα-helixtrans-58.7-46.8176.4-63.4-173.537.600111.4P74 A77 L105 D106 S112 P113 R114 K119 V120 F121P74-Q117 HydrophobicContact CB-CG 4.25Å; A77-Q117 HydrophobicContact CB-CG 4.2Å; L105-Q117 HydrophobicContact CD2-CB 3.78Å; D106-Q117 PolarHBondContact O-NE2 3.44Å; D106-Q117 PolarHBondContact O-OE1 3.24Å; S112-Q117 PolarHBondContact O-NE2 2.77Å; P113-Q117 WeakPolarHBondContact O-CG 3.32Å; P113-Q117 PolarHBondContact O-N 3.2Å; R114-Q117 WeakPolarHBondContact O-CB 3.34Å; R114-Q117 PolarHBondContact O-N 2.95Å; R114-Q117 VanDerWaalsContact O-N 3.12Å; Q117-K119 PolarHBondContact O-N 3.39Å; Q117-V120 PolarHBondContact O-N 3.42Å; Q117-F121 VanDerWaalsContact O-CB 3.31Å; Q117-F121 WeakPolarHBondContact O-CB 3.15Å; Q117-F121 PolarHBondContact O-N 3.3Å
118L98.8Very high98Very high33 Ų3355.3 Ų55.317%0.17326%0.263CS..Hα-helixtrans-58.2-48.4177.9-68171.2000111.8L105 F107 R114 T116 F121 D122 A145 I149L105-L118 HydrophobicContact CD1-CD2 3.86Å; L105-L118 HydrophobicContact CD2-CD2 4Å; L105-L118 HydrophobicContact CD2-CG 4.48Å; F107-L118 HydrophobicContact CZ-CD2 4.13Å; F107-L118 HydrophobicContact CZ-CG 4.5Å; R114-L118 HydrophobicContact CG-CD1 4.05Å; R114-L118 HydrophobicContact CG-CG 4.43Å; R114-L118 WeakPolarHBondContact O-CG 3.21Å; R114-L118 PolarHBondContact O-N 3.22Å; T116-L118 PolarHBondContact O-N 2.95Å; L118-F121 PolarHBondContact O-N 3Å; L118-D122 WeakPolarHBondContact O-CB 3.48Å; L118-D122 PolarHBondContact O-N 2.95Å; L118-A145 HydrophobicContact CD2-CB 3.97Å; L118-I149 HydrophobicContact CB-CD1 4.31Å; L118-I149 HydrophobicContact CD2-CD1 3.62Å
119K98.6Very high98.1Very high164 Ų16453.2 Ų53.271%0.71325%0.253SS*.Hα-helixtrans-63.4-43.8179.4-175.8-178.3178.4-176.20112.3E115 T116 Q117 A123E115-K119 WeakPolarHBondContact O-CB 3.46Å; E115-K119 PolarHBondContact O-N 3.42Å; T116-K119 PolarHBondContact O-N 3.02Å; Q117-K119 PolarHBondContact O-N 3.39Å; K119-A123 PolarHBondContact O-N 3.19Å; K119-A123 VanDerWaalsContact O-N 3.11Å
120V98.8Very high98.3Very high7 Ų753 Ų534%0.04226%0.256CS..Hα-helixtrans-70.6-37.8-178.6171.40000111.2T72 A77 F80 T116 Q117 Q124T72-V120 HydrophobicContact CG2-CG1 4.32Å; A77-V120 HydrophobicContact CB-CB 4.09Å; A77-V120 HydrophobicContact CB-CG1 4.2Å; A77-V120 HydrophobicContact CB-CG2 4.08Å; F80-V120 HydrophobicContact CB-CB 4.5Å; F80-V120 HydrophobicContact CB-CG1 4.08Å; F80-V120 HydrophobicContact CB-CG2 3.53Å; F80-V120 HydrophobicContact CD1-CG1 4.32Å; F80-V120 HydrophobicContact CD1-CG2 3.71Å; F80-V120 HydrophobicContact CD2-CG1 3.69Å; F80-V120 HydrophobicContact CD2-CG2 4.41Å; F80-V120 HydrophobicContact CE2-CG1 4.15Å; F80-V120 HydrophobicContact CG-CB 4.34Å; F80-V120 HydrophobicContact CG-CG1 3.77Å; F80-V120 HydrophobicContact CG-CG2 3.63Å; T116-V120 HydrophobicContact CG2-CG2 4.19Å; T116-V120 WeakPolarHBondContact O-CB 3.21Å; T116-V120 WeakPolarHBondContact O-CG2 3.35Å; T116-V120 PolarHBondContact O-N 2.85Å; Q117-V120 PolarHBondContact O-N 3.42Å; V120-Q124 WeakPolarHBondContact O-CG 3.47Å; V120-Q124 PolarHBondContact O-N 3.05Å; V120-Q124 PolarHBondContact O-NE2 2.88Å
121F98.8Very high98.5Very high1 Ų151.1 Ų51.10%0.00425%0.248CC..Hα-helixtrans-66.4-48.1174.5179.8-132.3000111.3C103 G104 L105 Q117 L118 A123 Q124 V125 V137 L146 I149 L150C103-F121 HydrophobicContact CB-CD2 4.3Å; G104-F121 VanDerWaalsContact CA-CD2 3.47Å; L105-F121 HydrophobicContact CD1-CD1 4.31Å; L105-F121 HydrophobicContact CD2-CB 4.05Å; L105-F121 HydrophobicContact CD2-CD1 4.32Å; L105-F121 HydrophobicContact CD2-CG 4.49Å; L105-F121 HydrophobicContact CG-CD1 4.06Å; Q117-F121 VanDerWaalsContact O-CB 3.31Å; Q117-F121 WeakPolarHBondContact O-CB 3.15Å; Q117-F121 PolarHBondContact O-N 3.3Å; L118-F121 PolarHBondContact O-N 3Å; F121-A123 VanDerWaalsContact C-N 3.31Å; F121-A123 PolarHBondContact O-N 3.06Å; F121-Q124 PolarHBondContact O-N 3.01Å; F121-V125 HydrophobicContact CD2-CG2 3.95Å; F121-V125 HydrophobicContact CE1-CG2 4.14Å; F121-V125 HydrophobicContact CE2-CG2 3.56Å; F121-V125 HydrophobicContact CG-CG2 4.42Å; F121-V125 HydrophobicContact CZ-CG2 3.66Å; F121-V125 WeakPolarHBondContact O-CG2 3.48Å; F121-V125 PolarHBondContact O-N 2.72Å; F121-V137 HydrophobicContact CE2-CG1 4.27Å; F121-V137 HydrophobicContact CE2-CG2 4.46Å; F121-V137 HydrophobicContact CZ-CG1 4.15Å; F121-L146 HydrophobicContact CD1-CD1 4.07Å; F121-L146 HydrophobicContact CE1-CD1 3.33Å; F121-L146 HydrophobicContact CE1-CG 4.03Å; F121-L146 HydrophobicContact CE2-CD1 4.42Å; F121-L146 HydrophobicContact CZ-CD1 3.54Å; F121-L146 HydrophobicContact CZ-CG 4.28Å; F121-I149 HydrophobicContact CD1-CB 4.2Å; F121-I149 HydrophobicContact CD1-CD1 3.74Å; F121-I149 HydrophobicContact CD1-CG2 3.88Å; F121-I149 HydrophobicContact CE1-CB 4.1Å; F121-I149 HydrophobicContact CE1-CD1 4.45Å; F121-I149 HydrophobicContact CE1-CG2 3.85Å; F121-L150 HydrophobicContact CE1-CD2 4.49Å; F121-L150 HydrophobicContact CE1-CG 4.32Å; F121-L150 HydrophobicContact CZ-CD1 4.43Å; F121-L150 HydrophobicContact CZ-CD2 3.92Å; F121-L150 HydrophobicContact CZ-CG 4.12Å
122D98.8Very high98.5Very high34 Ų3453.8 Ų53.818%0.18226%0.259CS..Hα-helixtrans-55.7-43.8177.4-175.887.4000112.1L118 Q124 V125 Q126 I149 Y153L118-D122 WeakPolarHBondContact O-CB 3.48Å; L118-D122 PolarHBondContact O-N 2.95Å; D122-Q124 VanDerWaalsContact C-N 3.34Å; D122-Q124 PolarHBondContact O-N 3Å; D122-V125 PolarHBondContact O-N 3.19Å; D122-Q126 WeakPolarHBondContact O-CG 3.46Å; D122-Q126 PolarHBondContact O-N 2.89Å; D122-Q126 PolarHBondContact OD2-NE2 2.91Å; D122-I149 HydrophobicContact CB-CG2 4.32Å; D122-Y153 WeakPolarHBondContact OD1-CE2 3.4Å; D122-Y153 PolarHBondContact OD1-OH 2.77Å; D122-Y153 PolarHBondContact OD2-OH 2.9Å; D122-Y153 VanDerWaalsContact OD2-OH 3.04Å
123A98.7Very high98.6Very high27 Ų2755.7 Ų55.722%0.22327%0.267CS..Hα-helixtrans-61.3-38.5175.700000113.2I85 K119 F121 Q126 L127I85-A123 HydrophobicContact CD1-CB 4.43Å; K119-A123 PolarHBondContact O-N 3.19Å; K119-A123 VanDerWaalsContact O-N 3.11Å; F121-A123 VanDerWaalsContact C-N 3.31Å; F121-A123 PolarHBondContact O-N 3.06Å; A123-Q126 WeakPolarHBondContact O-CB 3.36Å; A123-Q126 PolarHBondContact O-N 2.84Å; A123-L127 PolarHBondContact O-N 3.07Å; A123-L127 VanDerWaalsContact O-N 3.07Å
124Q98.8Very high98.6Very high1 Ų152.2 Ų52.21%0.00525%0.245CC..Hα-helixtrans-73.4-32.8177-69.9179.389.600112.4T72 I85 I100 C103 V120 F121 D122 L127 A128T72-Q124 PolarHBondContact O-NE2 3.15Å; I85-Q124 HydrophobicContact CD1-CG 4.27Å; I100-Q124 HydrophobicContact CG2-CB 4.15Å; C103-Q124 HydrophobicContact CB-CB 4.31Å; V120-Q124 WeakPolarHBondContact O-CG 3.47Å; V120-Q124 PolarHBondContact O-N 3.05Å; V120-Q124 PolarHBondContact O-NE2 2.88Å; F121-Q124 PolarHBondContact O-N 3.01Å; D122-Q124 VanDerWaalsContact C-N 3.34Å; D122-Q124 PolarHBondContact O-N 3Å; Q124-L127 PolarHBondContact O-N 3Å; Q124-A128 PolarHBondContact O-N 2.61Å
125V98.9Very high98.6Very high0 Ų046.1 Ų46.10%022%0.222CC..Hα-helixtrans-63.6-43.5171176.80000110.5F121 D122 L127 A128 C129 L135 I149 L150 Y153 L157F121-V125 HydrophobicContact CD2-CG2 3.95Å; F121-V125 HydrophobicContact CE1-CG2 4.14Å; F121-V125 HydrophobicContact CE2-CG2 3.56Å; F121-V125 HydrophobicContact CG-CG2 4.42Å; F121-V125 HydrophobicContact CZ-CG2 3.66Å; F121-V125 WeakPolarHBondContact O-CG2 3.48Å; F121-V125 PolarHBondContact O-N 2.72Å; D122-V125 PolarHBondContact O-N 3.19Å; V125-L127 VanDerWaalsContact C-N 3.31Å; V125-L127 PolarHBondContact O-N 2.83Å; V125-A128 PolarHBondContact O-N 2.96Å; V125-C129 PolarHBondContact O-N 3.29Å; V125-C129 PolarHBondContact O-SG 2.92Å; V125-C129 VanDerWaalsContact O-SG 3.33Å; V125-L135 HydrophobicContact CG1-CD1 4.28Å; V125-L135 HydrophobicContact CG2-CD1 4Å; V125-I149 HydrophobicContact CG2-CG2 4.24Å; V125-L150 HydrophobicContact CG1-CD2 4.33Å; V125-L150 HydrophobicContact CG2-CD2 3.98Å; V125-Y153 HydrophobicContact CB-CD2 4.28Å; V125-Y153 HydrophobicContact CB-CE2 4.26Å; V125-Y153 HydrophobicContact CG1-CD1 4.3Å; V125-Y153 HydrophobicContact CG1-CD2 3.33Å; V125-Y153 HydrophobicContact CG1-CE2 3.78Å; V125-Y153 HydrophobicContact CG1-CG 3.63Å; V125-L157 HydrophobicContact CG1-CD2 3.82Å
126Q98.7Very high98.7Very high100 Ų10039.6 Ų39.647%0.46719%0.191SC..Hα-helixtrans-58-43.7173.3-68.9178.744.500111.8D122 A123 C129 K130 Y153D122-Q126 WeakPolarHBondContact O-CG 3.46Å; D122-Q126 PolarHBondContact O-N 2.89Å; D122-Q126 PolarHBondContact OD2-NE2 2.91Å; A123-Q126 WeakPolarHBondContact O-CB 3.36Å; A123-Q126 PolarHBondContact O-N 2.84Å; Q126-C129 PolarHBondContact O-N 3Å; Q126-K130 WeakPolarHBondContact O-CB 3.26Å; Q126-K130 PolarHBondContact O-N 3.31Å; Q126-Y153 HydrophobicContact CG-CE1 3.61Å; Q126-Y153 WeakPolarHBondContact CG-OH 3.4Å; Q126-Y153 PolarHBondContact NE2-OH 3.38Å
127L98.7Very high98.7Very high6 Ų637.4 Ų37.43%0.03118%0.178CC..Hα-helixtrans-62.5-43.1176.3179.862.9000112I85 L88 E89 I100 A123 Q124 V125 C129 K130 L131I85-L127 HydrophobicContact CD1-CB 3.96Å; I85-L127 HydrophobicContact CD1-CD2 3.78Å; I85-L127 HydrophobicContact CD1-CG 4.44Å; I85-L127 HydrophobicContact CG1-CB 4.43Å; I85-L127 HydrophobicContact CG1-CD2 4.29Å; L88-L127 HydrophobicContact CB-CD2 3.98Å; E89-L127 HydrophobicContact CB-CD1 3.71Å; E89-L127 HydrophobicContact CG-CD1 3.92Å; I100-L127 HydrophobicContact CD1-CD2 4.1Å; I100-L127 HydrophobicContact CD1-CG 4.26Å; A123-L127 PolarHBondContact O-N 3.07Å; A123-L127 VanDerWaalsContact O-N 3.07Å; Q124-L127 PolarHBondContact O-N 3Å; V125-L127 VanDerWaalsContact C-N 3.31Å; V125-L127 PolarHBondContact O-N 2.83Å; L127-C129 PolarHBondContact O-N 2.91Å; L127-K130 WeakPolarHBondContact O-CB 3.39Å; L127-K130 PolarHBondContact O-N 3.4Å; L127-L131 HydrophobicContact CD1-CD1 3.69Å; L127-L131 HydrophobicContact CD1-CG 3.89Å; L127-L131 HydrophobicContact CG-CD1 4.03Å; L127-L131 HydrophobicContact CG-CG 4.45Å; L127-L131 WeakPolarHBondContact O-CB 3.48Å; L127-L131 WeakPolarHBondContact O-CG 3.49Å; L127-L131 PolarHBondContact O-N 2.85Å
128A98.8Very high98.7Very high3 Ų338 Ų383%0.02518%0.18CC..Hα-helixtrans-61.4-43176.700000112.1I100 Q124 V125 L131 K132 K133 L135I100-A128 HydrophobicContact CB-CB 3.94Å; I100-A128 HydrophobicContact CG1-CB 3.85Å; I100-A128 HydrophobicContact CG2-CB 4.42Å; Q124-A128 PolarHBondContact O-N 2.61Å; V125-A128 PolarHBondContact O-N 2.96Å; A128-L131 PolarHBondContact O-N 3.31Å; A128-K132 WeakPolarHBondContact O-CA 3.22Å; A128-K132 PolarHBondContact O-N 2.88Å; A128-K133 PolarHBondContact O-N 2.85Å; A128-L135 HydrophobicContact CB-CD1 4.38Å; A128-L135 HydrophobicContact CB-CD2 3.51Å; A128-L135 HydrophobicContact CB-CG 3.72Å
129C98.8Very high98.7Very high17 Ų1736.8 Ų36.812%0.11517%0.174CC..Hα-helixtrans-61.3-47.1173.2-68.60000111.6V125 Q126 L127 L131 K132 Q156V125-C129 PolarHBondContact O-N 3.29Å; V125-C129 PolarHBondContact O-SG 2.92Å; V125-C129 VanDerWaalsContact O-SG 3.33Å; Q126-C129 PolarHBondContact O-N 3Å; L127-C129 PolarHBondContact O-N 2.91Å; C129-L131 PolarHBondContact O-N 3.1Å; C129-K132 PolarHBondContact O-N 3.41Å; C129-Q156 HydrophobicContact CB-CB 4.25Å
130K98.5Very high98.7Very high134 Ų13431 Ų3158%0.58315%0.147SC*.Hα-helixtrans-57.3-47.2178.2-178.7-174.1-177.8-173.50111.7E89 Q126 L127 K132E89-K130 WeakPolarHBondContact OE1-CE 3.48Å; E89-K130 IonicContact OE1-NZ 2.99Å; E89-K130 PolarHBondContact OE1-NZ 3.27Å; E89-K130 IonicContact OE2-NZ 3.01Å; E89-K130 PolarHBondContact OE2-NZ 3.24Å; Q126-K130 WeakPolarHBondContact O-CB 3.26Å; Q126-K130 PolarHBondContact O-N 3.31Å; L127-K130 WeakPolarHBondContact O-CB 3.39Å; L127-K130 PolarHBondContact O-N 3.4Å; K130-K132 VanDerWaalsContact C-N 3.33Å
131L98.3Very high98.6Very high48 Ų4836.9 Ų36.925%0.25118%0.175SC..Hα-helixtrans-86.1-3.8-177.5-62-176.9000113.7E89 A92 I100 L127 A128 C129 K133E89-L131 HydrophobicContact CG-CD1 4.35Å; E89-L131 HydrophobicContact CG-CD2 4.24Å; A92-L131 HydrophobicContact CB-CD1 3.53Å; I100-L131 HydrophobicContact CD1-CD1 4.29Å; L127-L131 HydrophobicContact CD1-CD1 3.69Å; L127-L131 HydrophobicContact CD1-CG 3.89Å; L127-L131 HydrophobicContact CG-CD1 4.03Å; L127-L131 HydrophobicContact CG-CG 4.45Å; L127-L131 WeakPolarHBondContact O-CB 3.48Å; L127-L131 WeakPolarHBondContact O-CG 3.49Å; L127-L131 PolarHBondContact O-N 2.85Å; A128-L131 PolarHBondContact O-N 3.31Å; C129-L131 PolarHBondContact O-N 3.1Å; L131-K133 HydrophobicContact CB-CD 4.32Å; L131-K133 HydrophobicContact CB-CG 4.17Å; L131-K133 PolarHBondContact O-N 3.25Å
132K97.9Very high98.5Very high166 Ų16637 Ų3772%0.72218%0.176SC*.THydrogen-bonded Turntrans50.943.3-173.4-56.1-178.3-179.9-179.20112.2A128 C129 K130 R158A128-K132 WeakPolarHBondContact O-CA 3.22Å; A128-K132 PolarHBondContact O-N 2.88Å; C129-K132 PolarHBondContact O-N 3.41Å; K130-K132 VanDerWaalsContact C-N 3.33Å; K132-R158 VanDerWaalsContact O-CD 3.25Å; K132-R158 WeakPolarHBondContact O-CD 3.29Å
133K98.6Very high98.5Very high42 Ų4236.9 Ų36.918%0.18317%0.174CC..  trans-104.6152178.2-75.3-175.3-171.2-91.90111.5A92 C97 I100 A128 L131A92-K133 HydrophobicContact CB-CD 4.41Å; A92-K133 WeakPolarHBondContact O-CE 3.44Å; A92-K133 PolarHBondContact O-NZ 2.86Å; C97-K133 PolarHBondContact O-NZ 2.79Å; I100-K133 HydrophobicContact CD1-CD 4.39Å; I100-K133 HydrophobicContact CG1-CB 4.23Å; A128-K133 PolarHBondContact O-N 2.85Å; L131-K133 HydrophobicContact CB-CD 4.32Å; L131-K133 HydrophobicContact CB-CG 4.17Å; L131-K133 PolarHBondContact O-N 3.25Å
134P98.8Very high98.5Very high0 Ų043.1 Ų43.10%020%0.198CC..  trans-59.6157170-19.132000111.9V98 A99 I100 R158 E159 I288 F289V98-P134 VanDerWaalsContact O-CD 3.29Å; V98-P134 WeakPolarHBondContact O-CD 3.34Å; A99-P134 WeakPolarHBondContact CA-O 3.28Å; A99-P134 HydrophobicContact CB-CB 4.2Å; A99-P134 WeakPolarHBondContact CB-O 3.33Å; I100-P134 PolarHBondContact N-O 3.32Å; P134-R158 VanDerWaalsContact CG-NH1 3.25Å; P134-E159 CarbonylContact C-O 3.16Å; P134-E159 WeakPolarHBondContact CA-O 3.29Å; P134-E159 WeakPolarHBondContact CB-O 3.08Å; P134-I288 HydrophobicContact CB-CG2 3.93Å; P134-I288 HydrophobicContact CG-CG2 3.88Å; P134-I288 WeakPolarHBondContact CG-O 3.4Å; P134-F289 HydrophobicContact CB-CE1 4.42Å; P134-F289 HydrophobicContact CG-CD1 4.45Å
135L98.9Very high98.5Very high2 Ų243.6 Ų43.61%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-101.5134.5169.6-77167.5000110.7I100 V125 A128 V137 L150 L157 E159 V160 V161I100-L135 HydrophobicContact CB-CD2 4.14Å; I100-L135 HydrophobicContact CG2-CD2 4.18Å; I100-L135 CarbonylContact O-C 3.55Å; I100-L135 WeakPolarHBondContact O-CA 3.45Å; V125-L135 HydrophobicContact CG1-CD1 4.28Å; V125-L135 HydrophobicContact CG2-CD1 4Å; A128-L135 HydrophobicContact CB-CD1 4.38Å; A128-L135 HydrophobicContact CB-CD2 3.51Å; A128-L135 HydrophobicContact CB-CG 3.72Å; L135-V137 HydrophobicContact CB-CG2 3.63Å; L135-L150 HydrophobicContact CD1-CD2 3.79Å; L135-L157 HydrophobicContact CD1-CD2 3.75Å; L135-E159 PolarHBondContact N-O 3.33Å; L135-V160 HydrophobicContact CB-CB 4.46Å; L135-V160 HydrophobicContact CB-CG1 4.12Å; L135-V160 HydrophobicContact CB-CG2 4.27Å; L135-V160 HydrophobicContact CD1-CG2 4.12Å; L135-V161 PolarHBondContact O-N 3.42Å
136F98.9Very high98.5Very high0 Ų043.6 Ų43.60%020%0.203CC..EExtended strand (participates in β ladder)trans-110.6103.6170.9-172-99.1000108.5I13 T45 T69 A99 I100 G101 E102 C103 V161 H163I13-F136 HydrophobicContact CB-CE2 4.48Å; I13-F136 HydrophobicContact CD1-CD2 4.45Å; I13-F136 HydrophobicContact CD1-CE2 3.76Å; I13-F136 HydrophobicContact CG1-CE2 3.99Å; I13-F136 VanDerWaalsContact O-CE2 3.29Å; I13-F136 WeakPolarHBondContact O-CE2 3.4Å; T45-F136 HydrophobicContact CG2-CE1 4.1Å; T69-F136 HydrophobicContact CG2-CB 4.24Å; T69-F136 HydrophobicContact CG2-CG 4.33Å; A99-F136 HydrophobicContact CB-CB 4.35Å; I100-F136 PolarHBondContact O-N 2.88Å; G101-F136 WeakPolarHBondContact CA-O 3.33Å; E102-F136 WeakPolarHBondContact CA-O 3.44Å; E102-F136 HydrophobicContact CB-CD1 4.1Å; E102-F136 HydrophobicContact CB-CE1 4.41Å; E102-F136 HydrophobicContact CG-CD1 4.26Å; E102-F136 HydrophobicContact CG-CE1 4.36Å; C103-F136 PolarHBondContact N-O 3.07Å; F136-V161 HydrophobicContact CD2-CB 4.44Å; F136-V161 HydrophobicContact CD2-CG1 4.37Å; F136-H163 HydrophobicContact CD1-CB 4.28Å; F136-H163 AromaticContact CD1-CD2 3.94Å; F136-H163 HydrophobicContact CD2-CB 3.91Å; F136-H163 HydrophobicContact CE1-CB 3.75Å; F136-H163 AromaticContact CE1-CD2 3.64Å; F136-H163 AromaticContact CE1-CG 3.37Å; F136-H163 AromaticContact CE1-ND1 3.61Å; F136-H163 HydrophobicContact CE2-CB 3.33Å; F136-H163 AromaticContact CE2-CG 3.96Å; F136-H163 HydrophobicContact CG-CB 4.36Å; F136-H163 HydrophobicContact CZ-CB 3.24Å; F136-H163 AromaticContact CZ-CG 3.34Å; F136-H163 AromaticContact CZ-ND1 3.59Å
137V98.9Very high98.5Very high0 Ų039.3 Ų39.30%018%0.183CC..EExtended strand (participates in β ladder)trans-117.5116.6-156.3-176.70000112.6C103 F121 L135 L146 V160 V161 I162 H163C103-V137 CarbonylContact O-C 3.04Å; C103-V137 VanDerWaalsContact O-CA 3.27Å; C103-V137 WeakPolarHBondContact O-CA 3.49Å; F121-V137 HydrophobicContact CE2-CG1 4.27Å; F121-V137 HydrophobicContact CE2-CG2 4.46Å; F121-V137 HydrophobicContact CZ-CG1 4.15Å; L135-V137 HydrophobicContact CB-CG2 3.63Å; V137-L146 HydrophobicContact CG1-CD1 3.6Å; V137-L146 HydrophobicContact CG1-CD2 3.89Å; V137-L146 HydrophobicContact CG1-CG 4.29Å; V137-V160 HydrophobicContact CB-CG1 4.49Å; V137-V160 HydrophobicContact CG2-CG1 3.7Å; V137-V161 PolarHBondContact N-O 3.3Å; V137-I162 HydrophobicContact CB-CD1 4.07Å; V137-I162 HydrophobicContact CG1-CD1 4.18Å; V137-H163 PolarHBondContact O-CD2 3.35Å; V137-H163 PolarHBondContact O-N 3.03Å
138H98.8Very high98.5Very high13 Ų1343.6 Ų43.66%0.0621%0.207CC..EExtended strand (participates in β ladder)trans-81.1132.9169.2-179.982.1000109.8H73 E102 C103 G104 L105 D106 R140 H163H73-H138 AromaticContact NE2-CD2 3.68Å; H73-H138 AromaticContact NE2-CE1 3.95Å; H73-H138 AromaticContact NE2-CG 3.63Å; H73-H138 AromaticContact NE2-ND1 3.9Å; H73-H138 AromaticContact NE2-NE2 3.85Å; E102-H138 HydrophobicContact CG-CB 3.88Å; E102-H138 WeakPolarHBondContact OE1-CB 3.36Å; E102-H138 IonicContact OE1-CG 3.73Å; E102-H138 IonicContact OE1-ND1 2.79Å; E102-H138 PolarHBondContact OE1-ND1 3.42Å; C103-H138 PolarHBondContact O-N 3.21Å; G104-H138 VanDerWaalsContact CA-O 3.32Å; G104-H138 WeakPolarHBondContact CA-O 3.46Å; L105-H138 PolarHBondContact N-O 2.74Å; D106-H138 IonicContact OD2-CD2 3.58Å; D106-H138 IonicContact OD2-CE1 2.97Å; D106-H138 IonicContact OD2-NE2 2.68Å; D106-H138 PolarHBondContact OD2-NE2 3.12Å; H138-R140 WeakPolarHBondContact NE2-CG 3.41Å; H138-H163 WeakPolarHBondContact CA-NE2 3.43Å; H138-H163 VanDerWaalsContact CB-NE2 3.33Å; H138-H163 WeakPolarHBondContact CB-NE2 2.85Å; H138-H163 AromaticContact CG-NE2 3.99Å; H138-H163 PolarHBondContact N-CD2 2.9Å; H138-H163 AromaticContact ND1-NE2 3.8Å
139E98.5Very high98.5Very high8 Ų843.8 Ų43.84%0.03721%0.207CC..EExtended strand (participates in β ladder)trans-142.2129.4173.6-170.8-87.2125.500111.6L105 E141 A142 H143 L146 Y175L105-E139 VanDerWaalsContact O-CA 3.27Å; L105-E139 WeakPolarHBondContact O-CA 3.44Å; E139-E141 PolarHBondContact OE1-N 3.16Å; E139-A142 HydrophobicContact CG-CB 4.27Å; E139-A142 WeakPolarHBondContact OE1-CA 3.34Å; E139-A142 PolarHBondContact OE1-N 3.39Å; E139-H143 PolarHBondContact OE1-N 3.42Å; E139-H143 VanDerWaalsContact OE1-N 3.1Å; E139-L146 HydrophobicContact CB-CD1 4.48Å; E139-L146 HydrophobicContact CB-CD2 4.02Å; E139-L146 HydrophobicContact CG-CB 4.18Å; E139-L146 HydrophobicContact CG-CD1 4.4Å; E139-L146 HydrophobicContact CG-CD2 3.96Å; E139-L146 HydrophobicContact CG-CG 4.39Å; E139-Y175 PolarHBondContact OE2-OH 2.75Å
140R97.8Very high98.5Very high41 Ų4143 Ų4316%0.15520%0.201CC..EExtended strand (participates in β ladder)trans-141117.3171.3-61.5-67.3178.3-103.50111.2L105 D106 F107 N108 H138 A142 C164L105-R140 PolarHBondContact O-N 2.88Å; D106-R140 HydrophobicContact CB-CB 4.44Å; F107-R140 PolarHBondContact N-O 2.86Å; N108-R140 HydrophobicContact CB-CB 4.06Å; H138-R140 WeakPolarHBondContact NE2-CG 3.41Å; R140-A142 PolarHBondContact O-N 3.28Å; R140-A142 VanDerWaalsContact O-N 3.15Å; R140-C164 VanDerWaalsContact CZ-O 3.29Å; R140-C164 PolarHBondContact NH1-O 2.81Å; R140-C164 PolarHBondContact NH2-O 3.36Å; R140-C164 PolarHBondContact NH2-SG 2.91Å; R140-C164 VanDerWaalsContact NH2-SG 3.36Å
141E96.8Very high98.4Very high132 Ų13241.9 Ų41.962%0.61720%0.197SC*.SBendtrans54.727.7177.6-62.5179.7-17900113.4F107 N108 E139F107-E141 WeakPolarHBondContact CB-O 3.43Å; N108-E141 WeakPolarHBondContact CA-OE2 3.17Å; N108-E141 HydrophobicContact CB-CB 4.23Å; N108-E141 HydrophobicContact CB-CG 4.02Å; N108-E141 WeakPolarHBondContact CB-OE2 3.5Å; N108-E141 PolarHBondContact ND2-OE1 3.22Å; N108-E141 PolarHBondContact ND2-OE2 3.24Å; E139-E141 PolarHBondContact OE1-N 3.16Å
142A98Very high98.4Very high3 Ų346 Ų463%0.02521%0.213CC..  trans-130.915.1-174.200000112.7L105 F107 E139 R140 E144 A145 L146L105-A142 HydrophobicContact CB-CB 3.47Å; L105-A142 VanDerWaalsContact CB-CB 3.47Å; L105-A142 HydrophobicContact CD1-CB 4.19Å; L105-A142 HydrophobicContact CG-CB 4.49Å; F107-A142 HydrophobicContact CB-CB 4.3Å; F107-A142 HydrophobicContact CD1-CB 4.11Å; F107-A142 HydrophobicContact CD2-CB 3.46Å; F107-A142 VanDerWaalsContact CD2-CB 3.46Å; F107-A142 HydrophobicContact CE1-CB 4.24Å; F107-A142 HydrophobicContact CE2-CB 3.64Å; F107-A142 HydrophobicContact CG-CB 3.71Å; F107-A142 HydrophobicContact CZ-CB 4.02Å; E139-A142 HydrophobicContact CG-CB 4.27Å; E139-A142 WeakPolarHBondContact OE1-CA 3.34Å; E139-A142 PolarHBondContact OE1-N 3.39Å; R140-A142 PolarHBondContact O-N 3.28Å; R140-A142 VanDerWaalsContact O-N 3.15Å; A142-E144 PolarHBondContact O-N 3.31Å; A142-A145 PolarHBondContact O-N 2.97Å; A142-A145 VanDerWaalsContact O-N 3.16Å; A142-L146 PolarHBondContact O-N 3.26Å
143H98.2Very high98.5Very high32 Ų3239.5 Ų39.515%0.14818%0.184CC..Hα-helixtrans-43.6-57.6-176.2177.165.6000114.2E139 A145 L146 V147 E171 Y175E139-H143 PolarHBondContact OE1-N 3.42Å; E139-H143 VanDerWaalsContact OE1-N 3.1Å; H143-A145 PolarHBondContact O-N 3.5Å; H143-L146 WeakPolarHBondContact O-CB 3.42Å; H143-L146 PolarHBondContact O-N 3.33Å; H143-V147 WeakPolarHBondContact O-CG2 3.37Å; H143-V147 PolarHBondContact O-N 3.01Å; H143-E171 HydrophobicContact CB-CG 4.1Å; H143-Y175 AromaticContact CE1-CE1 3.7Å; H143-Y175 AromaticContact CE1-CZ 3.78Å; H143-Y175 AromaticContact ND1-CE1 3.49Å; H143-Y175 WeakPolarHBondContact ND1-CE1 3.35Å; H143-Y175 AromaticContact ND1-CE2 3.8Å; H143-Y175 AromaticContact ND1-CZ 3.17Å; H143-Y175 PolarHBondContact ND1-OH 2.86Å
144E98.3Very high98.3Very high157 Ų15745.2 Ų45.273%0.73421%0.211SC*.Hα-helixtrans-59.8-46.2-176.6-64.4-177.2163.300111.6A142 L146 V147 D148A142-E144 PolarHBondContact O-N 3.31Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 3.05Å; E144-V147 PolarHBondContact O-N 3.44Å; E144-D148 WeakPolarHBondContact O-CB 3.41Å; E144-D148 VanDerWaalsContact O-CG 3.27Å; E144-D148 PolarHBondContact O-N 2.81Å
145A98.7Very high98.2Very high12 Ų1249.1 Ų49.110%0.09925%0.251CS..Hα-helixtrans-67.3-35.618000000112.5L105 F107 L118 A142 H143 I149L105-A145 HydrophobicContact CD1-CB 3.89Å; F107-A145 HydrophobicContact CE2-CB 3.72Å; F107-A145 HydrophobicContact CZ-CB 3.95Å; L118-A145 HydrophobicContact CD2-CB 3.97Å; A142-A145 PolarHBondContact O-N 2.97Å; A142-A145 VanDerWaalsContact O-N 3.16Å; H143-A145 PolarHBondContact O-N 3.5Å; A145-I149 WeakPolarHBondContact O-CG1 3.3Å; A145-I149 PolarHBondContact O-N 3.5Å; A145-I149 VanDerWaalsContact O-N 3.16Å
146L98.8Very high98.2Very high0 Ų054.7 Ų54.70%028%0.277CS..Hα-helixtrans-63.5-49.8175-167.288.8000110.4L105 F121 V137 E139 A142 H143 E144 D148 I149 L150 I162 Y175L105-L146 HydrophobicContact CB-CD1 4.47Å; L105-L146 HydrophobicContact CD1-CB 4.19Å; L105-L146 HydrophobicContact CD1-CD1 4.17Å; L105-L146 HydrophobicContact CG-CD1 4.14Å; F121-L146 HydrophobicContact CD1-CD1 4.07Å; F121-L146 HydrophobicContact CE1-CD1 3.33Å; F121-L146 HydrophobicContact CE1-CG 4.03Å; F121-L146 HydrophobicContact CE2-CD1 4.42Å; F121-L146 HydrophobicContact CZ-CD1 3.54Å; F121-L146 HydrophobicContact CZ-CG 4.28Å; V137-L146 HydrophobicContact CG1-CD1 3.6Å; V137-L146 HydrophobicContact CG1-CD2 3.89Å; V137-L146 HydrophobicContact CG1-CG 4.29Å; E139-L146 HydrophobicContact CB-CD1 4.48Å; E139-L146 HydrophobicContact CB-CD2 4.02Å; E139-L146 HydrophobicContact CG-CB 4.18Å; E139-L146 HydrophobicContact CG-CD1 4.4Å; E139-L146 HydrophobicContact CG-CD2 3.96Å; E139-L146 HydrophobicContact CG-CG 4.39Å; A142-L146 PolarHBondContact O-N 3.26Å; H143-L146 WeakPolarHBondContact O-CB 3.42Å; H143-L146 PolarHBondContact O-N 3.33Å; E144-L146 VanDerWaalsContact C-N 3.34Å; E144-L146 PolarHBondContact O-N 3.05Å; L146-D148 PolarHBondContact O-N 2.92Å; L146-I149 PolarHBondContact O-N 3.43Å; L146-L150 HydrophobicContact CD2-CD1 4.05Å; L146-L150 HydrophobicContact CG-CD1 4Å; L146-L150 WeakPolarHBondContact O-CG 3.35Å; L146-L150 PolarHBondContact O-N 2.83Å; L146-I162 HydrophobicContact CD2-CD1 3.82Å; L146-Y175 HydrophobicContact CD2-CE1 3.79Å
147V98.6Very high98.1Very high9 Ų956.3 Ų56.36%0.05529%0.286CS..Hα-helixtrans-60.9-44.1178.6168.60000111H143 E144 I149 L150 K151 Y175 M178H143-V147 WeakPolarHBondContact O-CG2 3.37Å; H143-V147 PolarHBondContact O-N 3.01Å; E144-V147 PolarHBondContact O-N 3.44Å; V147-I149 VanDerWaalsContact C-N 3.33Å; V147-I149 PolarHBondContact O-N 3.36Å; V147-L150 PolarHBondContact O-N 3.42Å; V147-K151 HydrophobicContact CG1-CD 3.81Å; V147-K151 VanDerWaalsContact CG1-CE 3.4Å; V147-K151 HydrophobicContact CG1-CG 4.18Å; V147-K151 WeakPolarHBondContact O-CB 3.18Å; V147-K151 VanDerWaalsContact O-CG 3.32Å; V147-K151 WeakPolarHBondContact O-CG 3.3Å; V147-K151 PolarHBondContact O-N 2.98Å; V147-Y175 HydrophobicContact CG2-CD1 4.26Å; V147-Y175 HydrophobicContact CG2-CE1 3.81Å; V147-M178 HydrophobicContact CG1-CE 4.46Å; V147-M178 HydrophobicContact CG1-SD 3.88Å; V147-M178 HydrophobicContact CG2-SD 4.21Å
148D98.6Very high98Very high97 Ų9761.2 Ų61.252%0.51930%0.304SS..Hα-helixtrans-61.5-38.5179.1-78.4-11.9000112.7E144 L146 K152E144-D148 WeakPolarHBondContact O-CB 3.41Å; E144-D148 VanDerWaalsContact O-CG 3.27Å; E144-D148 PolarHBondContact O-N 2.81Å; L146-D148 PolarHBondContact O-N 2.92Å; D148-K152 WeakPolarHBondContact O-CE 3.49Å; D148-K152 WeakPolarHBondContact O-CG 3.34Å
149I98.8Very high98Very high6 Ų662.4 Ų62.43%0.03131%0.31CS..Hα-helixtrans-68.2-51.6174.2-71.5172.3000110.1L118 F121 D122 V125 A145 L146 V147 K151 K152 Y153L118-I149 HydrophobicContact CB-CD1 4.31Å; L118-I149 HydrophobicContact CD2-CD1 3.62Å; F121-I149 HydrophobicContact CD1-CB 4.2Å; F121-I149 HydrophobicContact CD1-CD1 3.74Å; F121-I149 HydrophobicContact CD1-CG2 3.88Å; F121-I149 HydrophobicContact CE1-CB 4.1Å; F121-I149 HydrophobicContact CE1-CD1 4.45Å; F121-I149 HydrophobicContact CE1-CG2 3.85Å; D122-I149 HydrophobicContact CB-CG2 4.32Å; V125-I149 HydrophobicContact CG2-CG2 4.24Å; A145-I149 WeakPolarHBondContact O-CG1 3.3Å; A145-I149 PolarHBondContact O-N 3.5Å; A145-I149 VanDerWaalsContact O-N 3.16Å; L146-I149 PolarHBondContact O-N 3.43Å; V147-I149 VanDerWaalsContact C-N 3.33Å; V147-I149 PolarHBondContact O-N 3.36Å; I149-K151 VanDerWaalsContact C-N 3.31Å; I149-K151 PolarHBondContact O-N 3.2Å; I149-K152 WeakPolarHBondContact O-CB 3.4Å; I149-K152 PolarHBondContact O-N 2.92Å; I149-K152 VanDerWaalsContact O-N 3.11Å; I149-Y153 HydrophobicContact CG2-CE2 4.33Å; I149-Y153 VanDerWaalsContact O-CD2 3.29Å; I149-Y153 WeakPolarHBondContact O-CD2 3.43Å
150L98.8Very high98Very high0 Ų062 Ų620%031%0.308CS..Hα-helixtrans-63-35.6-174.9-69.6171.6000112.6F121 V125 L135 L146 V147 K152 Y153 E154 L157 V160 M178 F180F121-L150 HydrophobicContact CE1-CD2 4.49Å; F121-L150 HydrophobicContact CE1-CG 4.32Å; F121-L150 HydrophobicContact CZ-CD1 4.43Å; F121-L150 HydrophobicContact CZ-CD2 3.92Å; F121-L150 HydrophobicContact CZ-CG 4.12Å; V125-L150 HydrophobicContact CG1-CD2 4.33Å; V125-L150 HydrophobicContact CG2-CD2 3.98Å; L135-L150 HydrophobicContact CD1-CD2 3.79Å; L146-L150 HydrophobicContact CD2-CD1 4.05Å; L146-L150 HydrophobicContact CG-CD1 4Å; L146-L150 WeakPolarHBondContact O-CG 3.35Å; L146-L150 PolarHBondContact O-N 2.83Å; V147-L150 PolarHBondContact O-N 3.42Å; L150-K152 VanDerWaalsContact C-N 3.26Å; L150-K152 PolarHBondContact O-N 3.22Å; L150-Y153 PolarHBondContact O-N 2.79Å; L150-E154 PolarHBondContact O-N 3.35Å; L150-L157 HydrophobicContact CB-CD1 4.22Å; L150-L157 HydrophobicContact CD2-CD1 4.15Å; L150-L157 HydrophobicContact CD2-CD2 4.23Å; L150-L157 WeakPolarHBondContact O-CD1 3.47Å; L150-V160 HydrophobicContact CD1-CG1 4.3Å; L150-M178 HydrophobicContact CB-CE 4.19Å; L150-F180 HydrophobicContact CB-CE2 4.42Å; L150-F180 HydrophobicContact CB-CZ 4.1Å; L150-F180 HydrophobicContact CD1-CD2 4.49Å; L150-F180 HydrophobicContact CD1-CE2 3.51Å; L150-F180 HydrophobicContact CD1-CZ 3.84Å; L150-F180 HydrophobicContact CG-CZ 4.49Å
151K98.1Very high98.1Very high111 Ų11160.1 Ų60.148%0.48330%0.301SS..Hα-helixtrans-60-30.8175.4-80.1177.9176.11680113.7V147 I149 Y153 E154 M178V147-K151 HydrophobicContact CG1-CD 3.81Å; V147-K151 VanDerWaalsContact CG1-CE 3.4Å; V147-K151 HydrophobicContact CG1-CG 4.18Å; V147-K151 WeakPolarHBondContact O-CB 3.18Å; V147-K151 VanDerWaalsContact O-CG 3.32Å; V147-K151 WeakPolarHBondContact O-CG 3.3Å; V147-K151 PolarHBondContact O-N 2.98Å; I149-K151 VanDerWaalsContact C-N 3.31Å; I149-K151 PolarHBondContact O-N 3.2Å; K151-Y153 PolarHBondContact O-N 2.67Å; K151-Y153 VanDerWaalsContact O-N 3.16Å; K151-E154 WeakPolarHBondContact O-CB 3.3Å; K151-E154 PolarHBondContact O-N 2.98Å; K151-M178 HydrophobicContact CG-CE 3.67Å
152K98.4Very high98.2Very high136 Ų13653.9 Ų53.959%0.59127%0.272SS*.THydrogen-bonded Turntrans-62.2-23.2176.5-62.3167.3-169173.60112.5D148 I149 L150D148-K152 WeakPolarHBondContact O-CE 3.49Å; D148-K152 WeakPolarHBondContact O-CG 3.34Å; I149-K152 WeakPolarHBondContact O-CB 3.4Å; I149-K152 PolarHBondContact O-N 2.92Å; I149-K152 VanDerWaalsContact O-N 3.11Å; L150-K152 VanDerWaalsContact C-N 3.26Å; L150-K152 PolarHBondContact O-N 3.22Å
153Y98.5Very high98.2Very high29 Ų2953.8 Ų53.811%0.11427%0.271CS..THydrogen-bonded Turntrans-109.714.7-177.5-57.4-83.2000112.4D122 V125 Q126 I149 L150 K151 G155 Q156 L157D122-Y153 WeakPolarHBondContact OD1-CE2 3.4Å; D122-Y153 PolarHBondContact OD1-OH 2.77Å; D122-Y153 PolarHBondContact OD2-OH 2.9Å; D122-Y153 VanDerWaalsContact OD2-OH 3.04Å; V125-Y153 HydrophobicContact CB-CD2 4.28Å; V125-Y153 HydrophobicContact CB-CE2 4.26Å; V125-Y153 HydrophobicContact CG1-CD1 4.3Å; V125-Y153 HydrophobicContact CG1-CD2 3.33Å; V125-Y153 HydrophobicContact CG1-CE2 3.78Å; V125-Y153 HydrophobicContact CG1-CG 3.63Å; Q126-Y153 HydrophobicContact CG-CE1 3.61Å; Q126-Y153 WeakPolarHBondContact CG-OH 3.4Å; Q126-Y153 PolarHBondContact NE2-OH 3.38Å; I149-Y153 HydrophobicContact CG2-CE2 4.33Å; I149-Y153 VanDerWaalsContact O-CD2 3.29Å; I149-Y153 WeakPolarHBondContact O-CD2 3.43Å; L150-Y153 PolarHBondContact O-N 2.79Å; K151-Y153 PolarHBondContact O-N 2.67Å; K151-Y153 VanDerWaalsContact O-N 3.16Å; Y153-G155 PolarHBondContact O-N 2.92Å; Y153-Q156 WeakPolarHBondContact O-CA 3.4Å; Y153-Q156 WeakPolarHBondContact O-CB 3.38Å; Y153-Q156 PolarHBondContact O-N 3.04Å; Y153-L157 WeakPolarHBondContact O-CG 3.41Å; Y153-L157 PolarHBondContact O-N 3.05Å; Y153-L157 VanDerWaalsContact O-N 3.13Å
154E95.8Very high98.2Very high161 Ų16152.3 Ų52.375%0.75226%0.264SS*.THydrogen-bonded Turntrans-52.3134.6174.6-172.4173.7-164.500110.8L150 K151 Q156L150-E154 PolarHBondContact O-N 3.35Å; K151-E154 WeakPolarHBondContact O-CB 3.3Å; K151-E154 PolarHBondContact O-N 2.98Å; E154-Q156 PolarHBondContact O-N 3Å
155G95.9Very high98.2Very high82 Ų8245 Ų4585%0.84523%0.23SC*.THydrogen-bonded Turntrans80.1-12.7-17400000115.7Y153Y153-G155 PolarHBondContact O-N 2.92Å
156Q98.2Very high98.1Very high119 Ų11945.8 Ų45.856%0.55623%0.234SC*.THydrogen-bonded Turntrans-103.4-26.5172.8-60.4177.466.400112.5C129 Y153 E154C129-Q156 HydrophobicContact CB-CB 4.25Å; Y153-Q156 WeakPolarHBondContact O-CA 3.4Å; Y153-Q156 WeakPolarHBondContact O-CB 3.38Å; Y153-Q156 PolarHBondContact O-N 3.04Å; E154-Q156 PolarHBondContact O-N 3Å
157L98.3Very high98Very high35 Ų3546.3 Ų46.318%0.18324%0.239CC..  trans-62.3139.5175.2-65.9172.2000111.2V125 L135 L150 Y153 V160 F180V125-L157 HydrophobicContact CG1-CD2 3.82Å; L135-L157 HydrophobicContact CD1-CD2 3.75Å; L150-L157 HydrophobicContact CB-CD1 4.22Å; L150-L157 HydrophobicContact CD2-CD1 4.15Å; L150-L157 HydrophobicContact CD2-CD2 4.23Å; L150-L157 WeakPolarHBondContact O-CD1 3.47Å; Y153-L157 WeakPolarHBondContact O-CG 3.41Å; Y153-L157 PolarHBondContact O-N 3.05Å; Y153-L157 VanDerWaalsContact O-N 3.13Å; L157-V160 HydrophobicContact CD1-CG2 4.24Å; L157-V160 HydrophobicContact CD2-CG2 4.46Å; L157-F180 HydrophobicContact CD1-CE1 4.41Å; L157-F180 HydrophobicContact CD1-CZ 4.35Å
158R96.2Very high98Very high102 Ų10247.7 Ų47.739%0.38525%0.248SC..  trans-81.2-132.1164-152.2-167155.2-135.7-24.8108.7K132 P134 K287 I288K132-R158 VanDerWaalsContact O-CD 3.25Å; K132-R158 WeakPolarHBondContact O-CD 3.29Å; P134-R158 VanDerWaalsContact CG-NH1 3.25Å; R158-K287 PolarHBondContact NH2-O 2.88Å; R158-I288 VanDerWaalsContact CZ-O 3.23Å; R158-I288 PolarHBondContact NH1-O 3.45Å; R158-I288 PolarHBondContact NH2-O 3.16Å
159E98.6Very high98Very high38 Ų3845.8 Ų45.818%0.17824%0.236CC..  trans-85.3144.1170.4-53.685.4175.500111.5P134 L135 Y181 I288P134-E159 CarbonylContact C-O 3.16Å; P134-E159 WeakPolarHBondContact CA-O 3.29Å; P134-E159 WeakPolarHBondContact CB-O 3.08Å; L135-E159 PolarHBondContact N-O 3.33Å; E159-Y181 HydrophobicContact CB-CD2 4.34Å; E159-Y181 HydrophobicContact CB-CE2 4.18Å; E159-Y181 HydrophobicContact CG-CE2 4.06Å; E159-I288 HydrophobicContact CB-CG1 4.3Å; E159-I288 HydrophobicContact CB-CG2 3.92Å; E159-I288 HydrophobicContact CG-CG1 4.13Å; E159-I288 HydrophobicContact CG-CG2 4.38Å
160V98.9Very high98Very high1 Ų150.4 Ų50.41%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-116.1132172.7-176.90000108L135 V137 L150 L157 I162 F180 Y181L135-V160 HydrophobicContact CB-CB 4.46Å; L135-V160 HydrophobicContact CB-CG1 4.12Å; L135-V160 HydrophobicContact CB-CG2 4.27Å; L135-V160 HydrophobicContact CD1-CG2 4.12Å; V137-V160 HydrophobicContact CB-CG1 4.49Å; V137-V160 HydrophobicContact CG2-CG1 3.7Å; L150-V160 HydrophobicContact CD1-CG1 4.3Å; L157-V160 HydrophobicContact CD1-CG2 4.24Å; L157-V160 HydrophobicContact CD2-CG2 4.46Å; V160-I162 HydrophobicContact CG1-CD1 4.06Å; V160-F180 HydrophobicContact CB-CB 4.29Å; V160-F180 HydrophobicContact CB-CD1 3.57Å; V160-F180 HydrophobicContact CB-CD2 4.17Å; V160-F180 HydrophobicContact CB-CE1 3.81Å; V160-F180 HydrophobicContact CB-CE2 4.39Å; V160-F180 HydrophobicContact CB-CG 3.76Å; V160-F180 HydrophobicContact CB-CZ 4.2Å; V160-F180 HydrophobicContact CG1-CD1 4.39Å; V160-F180 HydrophobicContact CG1-CD2 4.11Å; V160-F180 HydrophobicContact CG1-CE2 4.27Å; V160-F180 HydrophobicContact CG1-CG 4.17Å; V160-F180 HydrophobicContact CG1-CZ 4.45Å; V160-F180 HydrophobicContact CG2-CD1 3.89Å; V160-F180 HydrophobicContact CG2-CE1 3.61Å; V160-F180 HydrophobicContact CG2-CG 4.49Å; V160-F180 HydrophobicContact CG2-CZ 4Å; V160-F180 WeakPolarHBondContact O-CA 3.41Å; V160-Y181 PolarHBondContact O-N 3.1Å
161V98.9Very high97.9Very high0 Ų052.5 Ų52.50%027%0.267CS..EExtended strand (participates in β ladder)trans-112.6114.7174.6-177.60000108.1I13 L135 F136 V137 H163 Y181 L212 I288 F289I13-V161 HydrophobicContact CD1-CG1 3.7Å; L135-V161 PolarHBondContact O-N 3.42Å; F136-V161 HydrophobicContact CD2-CB 4.44Å; F136-V161 HydrophobicContact CD2-CG1 4.37Å; V137-V161 PolarHBondContact N-O 3.3Å; V161-H163 PolarHBondContact O-N 2.84Å; V161-Y181 WeakPolarHBondContact CA-O 3.47Å; V161-L212 HydrophobicContact CB-CD1 4.25Å; V161-L212 HydrophobicContact CG1-CD1 3.6Å; V161-L212 HydrophobicContact CG2-CD1 3.6Å; V161-I288 HydrophobicContact CG2-CD1 4.49Å; V161-I288 HydrophobicContact CG2-CG2 4.32Å; V161-F289 HydrophobicContact CG2-CZ 3.92Å
162I98.9Very high98Very high1 Ų147.2 Ų47.21%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-80.796.5167.3-50.3-55.4000106.5V137 L146 V160 F165 Y175 F180 Y181 G183V137-I162 HydrophobicContact CB-CD1 4.07Å; V137-I162 HydrophobicContact CG1-CD1 4.18Å; L146-I162 HydrophobicContact CD2-CD1 3.82Å; V160-I162 HydrophobicContact CG1-CD1 4.06Å; I162-F165 HydrophobicContact CG2-CD2 3.95Å; I162-Y175 HydrophobicContact CB-CD2 4.41Å; I162-Y175 HydrophobicContact CD1-CD1 4.24Å; I162-Y175 HydrophobicContact CD1-CE1 4.21Å; I162-Y175 HydrophobicContact CD1-CG 4.46Å; I162-Y175 HydrophobicContact CG1-CD1 4.09Å; I162-Y175 HydrophobicContact CG1-CD2 3.81Å; I162-Y175 HydrophobicContact CG1-CE1 4.37Å; I162-Y175 HydrophobicContact CG1-CE2 4.08Å; I162-Y175 HydrophobicContact CG1-CG 3.81Å; I162-Y175 HydrophobicContact CG2-CD2 4.28Å; I162-Y175 HydrophobicContact CG2-CE2 3.97Å; I162-F180 HydrophobicContact CD1-CD2 4.26Å; I162-F180 HydrophobicContact CG1-CD2 4.45Å; I162-Y181 PolarHBondContact N-O 2.74Å; I162-G183 PolarHBondContact O-N 3.38Å
163H98.7Very high98Very high2 Ų246.4 Ų46.41%0.00924%0.241CC..THydrogen-bonded Turntrans-80.1156.3-174.692.495.3000110.4E102 F136 V137 H138 V161 F165 E214E102-H163 VanDerWaalsContact CD-CE1 3.43Å; E102-H163 VanDerWaalsContact CG-NE2 3.32Å; E102-H163 WeakPolarHBondContact CG-NE2 3.29Å; E102-H163 IonicContact OE1-CE1 3.1Å; E102-H163 PolarHBondContact OE1-CE1 3.13Å; E102-H163 VanDerWaalsContact OE1-CE1 3.24Å; E102-H163 IonicContact OE1-NE2 2.72Å; E102-H163 PolarHBondContact OE1-NE2 3.01Å; E102-H163 IonicContact OE2-CE1 3.14Å; F136-H163 HydrophobicContact CD1-CB 4.28Å; F136-H163 AromaticContact CD1-CD2 3.94Å; F136-H163 HydrophobicContact CD2-CB 3.91Å; F136-H163 HydrophobicContact CE1-CB 3.75Å; F136-H163 AromaticContact CE1-CD2 3.64Å; F136-H163 AromaticContact CE1-CG 3.37Å; F136-H163 AromaticContact CE1-ND1 3.61Å; F136-H163 HydrophobicContact CE2-CB 3.33Å; F136-H163 AromaticContact CE2-CG 3.96Å; F136-H163 HydrophobicContact CG-CB 4.36Å; F136-H163 HydrophobicContact CZ-CB 3.24Å; F136-H163 AromaticContact CZ-CG 3.34Å; F136-H163 AromaticContact CZ-ND1 3.59Å; V137-H163 PolarHBondContact O-CD2 3.35Å; V137-H163 PolarHBondContact O-N 3.03Å; H138-H163 WeakPolarHBondContact CA-NE2 3.43Å; H138-H163 VanDerWaalsContact CB-NE2 3.33Å; H138-H163 WeakPolarHBondContact CB-NE2 2.85Å; H138-H163 AromaticContact CG-NE2 3.99Å; H138-H163 PolarHBondContact N-CD2 2.9Å; H138-H163 AromaticContact ND1-NE2 3.8Å; V161-H163 PolarHBondContact O-N 2.84Å; H163-F165 PolarHBondContact O-N 3.39Å; H163-F165 VanDerWaalsContact O-N 3.13Å; H163-E214 WeakPolarHBondContact CA-OE1 3.36Å; H163-E214 WeakPolarHBondContact CB-OE1 3.31Å; H163-E214 IonicContact CG-OE2 3.97Å; H163-E214 IonicContact ND1-OE2 3.82Å; H163-E214 PolarHBondContact ND1-OE2 3.39Å
164C98.1Very high98Very high0 Ų046.4 Ų46.40%025%0.247CC..THydrogen-bonded Turntrans40.552.9-177.1-171.30000113.1R140 T166 G183 T185 E214 M220R140-C164 VanDerWaalsContact CZ-O 3.29Å; R140-C164 PolarHBondContact NH1-O 2.81Å; R140-C164 PolarHBondContact NH2-O 3.36Å; R140-C164 PolarHBondContact NH2-SG 2.91Å; R140-C164 VanDerWaalsContact NH2-SG 3.36Å; C164-T166 PolarHBondContact O-N 2.76Å; C164-G183 PolarHBondContact N-O 3.01Å; C164-T185 HydrophobicContact CB-CG2 3.7Å; C164-T185 WeakPolarHBondContact SG-CG2 3.5Å; C164-E214 PolarHBondContact N-OE1 2.89Å; C164-M220 WeakPolarHBondContact SG-CE 3.47Å
165F98.6Very high98.1Very high4 Ų438.7 Ų38.72%0.01821%0.211CC..  trans-67.2130.4-176.9179.2-91.1000111.4I162 H163 G167 T168 E171 A172 Y175 I182 G183 L184 V197 M200I162-F165 HydrophobicContact CG2-CD2 3.95Å; H163-F165 PolarHBondContact O-N 3.39Å; H163-F165 VanDerWaalsContact O-N 3.13Å; F165-G167 VanDerWaalsContact CE1-N 3.29Å; F165-G167 WeakPolarHBondContact CE1-O 3.2Å; F165-G167 VanDerWaalsContact CZ-C 3.43Å; F165-T168 WeakPolarHBondContact CZ-O 3.49Å; F165-E171 HydrophobicContact CE2-CB 4.31Å; F165-E171 HydrophobicContact CZ-CB 4.33Å; F165-A172 HydrophobicContact CE1-CB 4.06Å; F165-A172 HydrophobicContact CE2-CB 4.41Å; F165-A172 HydrophobicContact CZ-CB 3.71Å; F165-Y175 HydrophobicContact CD2-CD2 4.27Å; F165-Y175 HydrophobicContact CD2-CE2 4.15Å; F165-Y175 AromaticContact CE2-CD2 3.93Å; F165-Y175 HydrophobicContact CE2-CD2 3.93Å; F165-Y175 AromaticContact CE2-CE2 3.8Å; F165-Y175 HydrophobicContact CE2-CE2 3.8Å; F165-I182 HydrophobicContact CB-CG2 3.61Å; F165-I182 HydrophobicContact CD1-CG2 4.11Å; F165-I182 HydrophobicContact CG-CG2 3.91Å; F165-G183 PolarHBondContact N-O 3.42Å; F165-L184 HydrophobicContact CB-CD2 4.45Å; F165-V197 HydrophobicContact CD1-CG2 3.92Å; F165-V197 HydrophobicContact CE1-CG2 4.16Å; F165-M200 HydrophobicContact CD1-CE 4.36Å; F165-M200 HydrophobicContact CE1-CE 3.51Å; F165-M200 HydrophobicContact CZ-CE 4.26Å
166T97.1Very high98.2Very high29 Ų2936.5 Ų36.518%0.17818%0.179CC..  trans-133.917.7178.663.10000112.8C164 Y187C164-T166 PolarHBondContact O-N 2.76Å; T166-Y187 HydrophobicContact CG2-CD1 3.66Å; T166-Y187 HydrophobicContact CG2-CD2 3.75Å; T166-Y187 HydrophobicContact CG2-CE1 3.81Å; T166-Y187 HydrophobicContact CG2-CE2 3.93Å; T166-Y187 HydrophobicContact CG2-CG 3.64Å
167G96.8Very high98.2Very high11 Ų1136.1 Ų36.111%0.11318%0.181CC..  trans-85.8-169.6-173.200000114.8F165 E171F165-G167 VanDerWaalsContact CE1-N 3.29Å; F165-G167 WeakPolarHBondContact CE1-O 3.2Å; F165-G167 VanDerWaalsContact CZ-C 3.43Å; G167-E171 WeakPolarHBondContact CA-OE2 3.46Å
168T98Very high98.2Very high38 Ų3837.1 Ų37.123%0.23319%0.186CC..  trans-87170.7179.781.60000112.8F165 E170 E171 A172 V193F165-T168 WeakPolarHBondContact CZ-O 3.49Å; T168-E170 VanDerWaalsContact C-N 3.28Å; T168-E170 VanDerWaalsContact CB-OE2 3.29Å; T168-E170 WeakPolarHBondContact CB-OE2 3.38Å; T168-E170 PolarHBondContact O-N 2.9Å; T168-E170 PolarHBondContact OG1-N 3.22Å; T168-E170 PolarHBondContact OG1-OE2 3.02Å; T168-E171 PolarHBondContact N-OE2 3.18Å; T168-E171 PolarHBondContact O-N 3.36Å; T168-E171 PolarHBondContact OG1-N 2.81Å; T168-A172 WeakPolarHBondContact O-CB 3.39Å; T168-A172 PolarHBondContact O-N 2.97Å; T168-V193 HydrophobicContact CG2-CG1 4.13Å
169M98.2Very high98.3Very high57 Ų5733.8 Ų33.828%0.28118%0.183SC..Hα-helixtrans-58.2-38.7173.4-179.7-174.767.600113K173 H195 F199 M200 L205M169-K173 VanDerWaalsContact O-CB 3.26Å; M169-K173 WeakPolarHBondContact O-CB 3.33Å; M169-K173 PolarHBondContact O-N 2.68Å; M169-H195 HydrophobicContact CB-CB 4.15Å; M169-H195 WeakPolarHBondContact CB-O 3.43Å; M169-H195 PolarHBondContact N-O 2.72Å; M169-F199 HydrophobicContact SD-CE1 4.01Å; M169-M200 VanDerWaalsContact CA-SD 3.58Å; M169-M200 HydrophobicContact CB-CG 4.03Å; M169-M200 HydrophobicContact CB-SD 4.16Å; M169-M200 HydrophobicContact CG-CG 4.23Å; M169-M200 HydrophobicContact CG-SD 4.4Å; M169-L205 HydrophobicContact CG-CD1 3.9Å; M169-L205 HydrophobicContact SD-CD1 3.37Å; M169-L205 WeakPolarHBondContact SD-CD1 3.39Å
170E98.1Very high98.3Very high103 Ų10332.4 Ų32.448%0.48118%0.177SC..Hα-helixtrans-65.1-45.3179.8-63.268.5-14800110.8T168 K173 A174T168-E170 VanDerWaalsContact C-N 3.28Å; T168-E170 VanDerWaalsContact CB-OE2 3.29Å; T168-E170 WeakPolarHBondContact CB-OE2 3.38Å; T168-E170 PolarHBondContact O-N 2.9Å; T168-E170 PolarHBondContact OG1-N 3.22Å; T168-E170 PolarHBondContact OG1-OE2 3.02Å; E170-K173 PolarHBondContact O-N 3.24Å; E170-A174 PolarHBondContact O-N 2.96Å
171E98.5Very high98.3Very high43 Ų4332.8 Ų32.820%0.20118%0.178CC..Hα-helixtrans-64.4-46.5177.8-62172.9152.300110.9H143 F165 G167 T168 K173 A174 Y175H143-E171 HydrophobicContact CB-CG 4.1Å; F165-E171 HydrophobicContact CE2-CB 4.31Å; F165-E171 HydrophobicContact CZ-CB 4.33Å; G167-E171 WeakPolarHBondContact CA-OE2 3.46Å; T168-E171 PolarHBondContact N-OE2 3.18Å; T168-E171 PolarHBondContact O-N 3.36Å; T168-E171 PolarHBondContact OG1-N 2.81Å; E171-K173 VanDerWaalsContact C-N 3.33Å; E171-K173 PolarHBondContact O-N 3.36Å; E171-A174 PolarHBondContact O-N 2.83Å; E171-Y175 HydrophobicContact CB-CE2 4.46Å; E171-Y175 WeakPolarHBondContact O-CD2 2.97Å; E171-Y175 PolarHBondContact O-N 2.81Å
172A98.6Very high98.3Very high1 Ų132.8 Ų32.81%0.00818%0.178CC..Hα-helixtrans-60.4-42.5175.700000111.9F165 T168 A174 Y175 L176 I182 M200 L206F165-A172 HydrophobicContact CE1-CB 4.06Å; F165-A172 HydrophobicContact CE2-CB 4.41Å; F165-A172 HydrophobicContact CZ-CB 3.71Å; T168-A172 WeakPolarHBondContact O-CB 3.39Å; T168-A172 PolarHBondContact O-N 2.97Å; A172-A174 PolarHBondContact O-N 3.01Å; A172-Y175 PolarHBondContact O-N 3.1Å; A172-L176 WeakPolarHBondContact O-CB 3.35Å; A172-L176 WeakPolarHBondContact O-CG 3.4Å; A172-L176 PolarHBondContact O-N 2.81Å; A172-I182 HydrophobicContact CB-CD1 3.91Å; A172-M200 HydrophobicContact CB-CE 3.68Å; A172-M200 HydrophobicContact CB-SD 3.39Å; A172-M200 WeakPolarHBondContact CB-SD 3.49Å; A172-L206 HydrophobicContact CB-CD2 4.07Å
173K98.5Very high98.3Very high119 Ų11932.8 Ų32.852%0.51718%0.178SC..Hα-helixtrans-60.7-45.9176.8-175.2-175.8-176.5-58.60110.9M169 E170 E171 Y175 L176 D177M169-K173 VanDerWaalsContact O-CB 3.26Å; M169-K173 WeakPolarHBondContact O-CB 3.33Å; M169-K173 PolarHBondContact O-N 2.68Å; E170-K173 PolarHBondContact O-N 3.24Å; E171-K173 VanDerWaalsContact C-N 3.33Å; E171-K173 PolarHBondContact O-N 3.36Å; K173-Y175 VanDerWaalsContact C-N 3.33Å; K173-Y175 PolarHBondContact O-N 3Å; K173-L176 PolarHBondContact O-N 3.04Å; K173-D177 IonicContact NZ-OD1 3.59Å; K173-D177 IonicContact NZ-OD2 3.52Å; K173-D177 PolarHBondContact NZ-OD2 3.13Å; K173-D177 WeakPolarHBondContact O-CB 3.32Å; K173-D177 PolarHBondContact O-N 3.03Å
174A98.5Very high98.3Very high28 Ų2832.8 Ų32.823%0.23118%0.178CC..Hα-helixtrans-59.4-43.2177.600000111.9E170 E171 A172 M178E170-A174 PolarHBondContact O-N 2.96Å; E171-A174 PolarHBondContact O-N 2.83Å; A172-A174 PolarHBondContact O-N 3.01Å; A174-M178 WeakPolarHBondContact O-CG 3.41Å; A174-M178 PolarHBondContact O-N 3.43Å
175Y98.7Very high98.3Very high0 Ų032.9 Ų32.90%018%0.179CC..Hα-helixtrans-65.2-42.5175.2-62.5-39.4000112.8E139 H143 L146 V147 I162 F165 E171 A172 K173 M178 G179 F180E139-Y175 PolarHBondContact OE2-OH 2.75Å; H143-Y175 AromaticContact CE1-CE1 3.7Å; H143-Y175 AromaticContact CE1-CZ 3.78Å; H143-Y175 AromaticContact ND1-CE1 3.49Å; H143-Y175 WeakPolarHBondContact ND1-CE1 3.35Å; H143-Y175 AromaticContact ND1-CE2 3.8Å; H143-Y175 AromaticContact ND1-CZ 3.17Å; H143-Y175 PolarHBondContact ND1-OH 2.86Å; L146-Y175 HydrophobicContact CD2-CE1 3.79Å; V147-Y175 HydrophobicContact CG2-CD1 4.26Å; V147-Y175 HydrophobicContact CG2-CE1 3.81Å; I162-Y175 HydrophobicContact CB-CD2 4.41Å; I162-Y175 HydrophobicContact CD1-CD1 4.24Å; I162-Y175 HydrophobicContact CD1-CE1 4.21Å; I162-Y175 HydrophobicContact CD1-CG 4.46Å; I162-Y175 HydrophobicContact CG1-CD1 4.09Å; I162-Y175 HydrophobicContact CG1-CD2 3.81Å; I162-Y175 HydrophobicContact CG1-CE1 4.37Å; I162-Y175 HydrophobicContact CG1-CE2 4.08Å; I162-Y175 HydrophobicContact CG1-CG 3.81Å; I162-Y175 HydrophobicContact CG2-CD2 4.28Å; I162-Y175 HydrophobicContact CG2-CE2 3.97Å; F165-Y175 HydrophobicContact CD2-CD2 4.27Å; F165-Y175 HydrophobicContact CD2-CE2 4.15Å; F165-Y175 AromaticContact CE2-CD2 3.93Å; F165-Y175 HydrophobicContact CE2-CD2 3.93Å; F165-Y175 AromaticContact CE2-CE2 3.8Å; F165-Y175 HydrophobicContact CE2-CE2 3.8Å; E171-Y175 HydrophobicContact CB-CE2 4.46Å; E171-Y175 WeakPolarHBondContact O-CD2 2.97Å; E171-Y175 PolarHBondContact O-N 2.81Å; A172-Y175 PolarHBondContact O-N 3.1Å; K173-Y175 VanDerWaalsContact C-N 3.33Å; K173-Y175 PolarHBondContact O-N 3Å; Y175-M178 PolarHBondContact O-N 2.89Å; Y175-G179 PolarHBondContact O-N 3.37Å; Y175-F180 AromaticContact CD1-CD2 3.93Å; Y175-F180 HydrophobicContact CD1-CD2 3.93Å; Y175-F180 HydrophobicContact CD1-CE2 4.35Å; Y175-F180 HydrophobicContact CG-CD2 4.41Å; Y175-F180 VanDerWaalsContact O-CB 3.3Å; Y175-F180 WeakPolarHBondContact O-CB 3.41Å; Y175-F180 PolarHBondContact O-N 2.89Å
176L98.7Very high98.3Very high35 Ų3532.7 Ų32.718%0.18318%0.178CC..Hα-helixtrans-66.3-38.8178.7-71.4170.1000112.4A172 K173 M178 G179 I182 L206 P207 R210A172-L176 WeakPolarHBondContact O-CB 3.35Å; A172-L176 WeakPolarHBondContact O-CG 3.4Å; A172-L176 PolarHBondContact O-N 2.81Å; K173-L176 PolarHBondContact O-N 3.04Å; L176-M178 PolarHBondContact O-N 2.93Å; L176-G179 WeakPolarHBondContact O-CA 3.4Å; L176-G179 PolarHBondContact O-N 3.14Å; L176-I182 HydrophobicContact CD1-CD1 4.31Å; L176-I182 HydrophobicContact CD2-CD1 4.15Å; L176-I182 HydrophobicContact CG-CD1 3.99Å; L176-L206 HydrophobicContact CD1-CD2 4.21Å; L176-P207 HydrophobicContact CD2-CG 4.23Å; L176-R210 HydrophobicContact CD2-CB 3.59Å; L176-R210 HydrophobicContact CD2-CG 3.89Å
177D98.1Very high98.3Very high112 Ų11232.9 Ų32.960%0.59918%0.175SC*.Hα-helixtrans-63.6-32.1175.9-72.7-16.8000111.5K173 G179K173-D177 IonicContact NZ-OD1 3.59Å; K173-D177 IonicContact NZ-OD2 3.52Å; K173-D177 PolarHBondContact NZ-OD2 3.13Å; K173-D177 WeakPolarHBondContact O-CB 3.32Å; K173-D177 PolarHBondContact O-N 3.03Å; D177-G179 PolarHBondContact O-N 3.25Å
178M98.1Very high98.3Very high56 Ų5632.4 Ų32.428%0.27617%0.171SC..THydrogen-bonded Turntrans-78.6-1171.9-64.417774.300113.3V147 L150 K151 A174 Y175 L176 F180V147-M178 HydrophobicContact CG1-CE 4.46Å; V147-M178 HydrophobicContact CG1-SD 3.88Å; V147-M178 HydrophobicContact CG2-SD 4.21Å; L150-M178 HydrophobicContact CB-CE 4.19Å; K151-M178 HydrophobicContact CG-CE 3.67Å; A174-M178 WeakPolarHBondContact O-CG 3.41Å; A174-M178 PolarHBondContact O-N 3.43Å; Y175-M178 PolarHBondContact O-N 2.89Å; L176-M178 PolarHBondContact O-N 2.93Å; M178-F180 HydrophobicContact CB-CD1 4.02Å; M178-F180 HydrophobicContact CB-CD2 4.2Å; M178-F180 HydrophobicContact CB-CE1 3.82Å; M178-F180 HydrophobicContact CB-CE2 3.98Å; M178-F180 HydrophobicContact CB-CG 4.23Å; M178-F180 HydrophobicContact CB-CZ 3.81Å; M178-F180 HydrophobicContact CE-CE1 4.41Å; M178-F180 HydrophobicContact CE-CE2 3.84Å; M178-F180 HydrophobicContact CE-CZ 3.5Å; M178-F180 WeakPolarHBondContact O-CD1 3.46Å; M178-F180 HydrophobicContact SD-CE2 3.92Å; M178-F180 HydrophobicContact SD-CZ 4.13Å
179G97.8Very high98.2Very high32 Ų3232 Ų3233%0.3317%0.165SC..THydrogen-bonded Turntrans82.811.9178.200000115Y175 L176 D177Y175-G179 PolarHBondContact O-N 3.37Å; L176-G179 WeakPolarHBondContact O-CA 3.4Å; L176-G179 PolarHBondContact O-N 3.14Å; D177-G179 PolarHBondContact O-N 3.25Å
180F98.7Very high98.1Very high9 Ų933.2 Ų33.24%0.03917%0.168CC..  trans-76.6160.8-176.9-56.4-13.7000112.2L150 L157 V160 I162 Y175 M178L150-F180 HydrophobicContact CB-CE2 4.42Å; L150-F180 HydrophobicContact CB-CZ 4.1Å; L150-F180 HydrophobicContact CD1-CD2 4.49Å; L150-F180 HydrophobicContact CD1-CE2 3.51Å; L150-F180 HydrophobicContact CD1-CZ 3.84Å; L150-F180 HydrophobicContact CG-CZ 4.49Å; L157-F180 HydrophobicContact CD1-CE1 4.41Å; L157-F180 HydrophobicContact CD1-CZ 4.35Å; V160-F180 HydrophobicContact CB-CB 4.29Å; V160-F180 HydrophobicContact CB-CD1 3.57Å; V160-F180 HydrophobicContact CB-CD2 4.17Å; V160-F180 HydrophobicContact CB-CE1 3.81Å; V160-F180 HydrophobicContact CB-CE2 4.39Å; V160-F180 HydrophobicContact CB-CG 3.76Å; V160-F180 HydrophobicContact CB-CZ 4.2Å; V160-F180 HydrophobicContact CG1-CD1 4.39Å; V160-F180 HydrophobicContact CG1-CD2 4.11Å; V160-F180 HydrophobicContact CG1-CE2 4.27Å; V160-F180 HydrophobicContact CG1-CG 4.17Å; V160-F180 HydrophobicContact CG1-CZ 4.45Å; V160-F180 HydrophobicContact CG2-CD1 3.89Å; V160-F180 HydrophobicContact CG2-CE1 3.61Å; V160-F180 HydrophobicContact CG2-CG 4.49Å; V160-F180 HydrophobicContact CG2-CZ 4Å; V160-F180 WeakPolarHBondContact O-CA 3.41Å; I162-F180 HydrophobicContact CD1-CD2 4.26Å; I162-F180 HydrophobicContact CG1-CD2 4.45Å; Y175-F180 AromaticContact CD1-CD2 3.93Å; Y175-F180 HydrophobicContact CD1-CD2 3.93Å; Y175-F180 HydrophobicContact CD1-CE2 4.35Å; Y175-F180 HydrophobicContact CG-CD2 4.41Å; Y175-F180 VanDerWaalsContact O-CB 3.3Å; Y175-F180 WeakPolarHBondContact O-CB 3.41Å; Y175-F180 PolarHBondContact O-N 2.89Å; M178-F180 HydrophobicContact CB-CD1 4.02Å; M178-F180 HydrophobicContact CB-CD2 4.2Å; M178-F180 HydrophobicContact CB-CE1 3.82Å; M178-F180 HydrophobicContact CB-CE2 3.98Å; M178-F180 HydrophobicContact CB-CG 4.23Å; M178-F180 HydrophobicContact CB-CZ 3.81Å; M178-F180 HydrophobicContact CE-CE1 4.41Å; M178-F180 HydrophobicContact CE-CE2 3.84Å; M178-F180 HydrophobicContact CE-CZ 3.5Å; M178-F180 WeakPolarHBondContact O-CD1 3.46Å; M178-F180 HydrophobicContact SD-CE2 3.92Å; M178-F180 HydrophobicContact SD-CZ 4.13Å
181Y98.9Very high98Very high8 Ų828.6 Ų28.63%0.03115%0.147CC..EExtended strand (participates in β ladder)trans-100.1153.9174.1-67.3-101.6000110.6E159 V160 V161 I162 N209 R210 L212 N284 I288E159-Y181 HydrophobicContact CB-CD2 4.34Å; E159-Y181 HydrophobicContact CB-CE2 4.18Å; E159-Y181 HydrophobicContact CG-CE2 4.06Å; V160-Y181 PolarHBondContact O-N 3.1Å; V161-Y181 WeakPolarHBondContact CA-O 3.47Å; I162-Y181 PolarHBondContact N-O 2.74Å; Y181-N209 WeakPolarHBondContact CE1-O 3.42Å; Y181-R210 CarbonylContact C-O 3.6Å; Y181-R210 VanDerWaalsContact CA-O 3.3Å; Y181-R210 WeakPolarHBondContact CA-O 3.39Å; Y181-R210 HydrophobicContact CD1-CB 4.41Å; Y181-L212 HydrophobicContact CD1-CD1 4.39Å; Y181-L212 HydrophobicContact CG-CD1 4.27Å; Y181-N284 HydrophobicContact CD1-CB 4.36Å; Y181-N284 HydrophobicContact CE1-CB 4.06Å; Y181-I288 HydrophobicContact CD1-CD1 3.51Å; Y181-I288 HydrophobicContact CD2-CD1 3.59Å; Y181-I288 HydrophobicContact CD2-CG1 4.29Å; Y181-I288 HydrophobicContact CE1-CD1 3.59Å; Y181-I288 HydrophobicContact CE1-CG1 4.35Å; Y181-I288 HydrophobicContact CE2-CD1 3.64Å; Y181-I288 HydrophobicContact CE2-CG1 3.94Å; Y181-I288 HydrophobicContact CG-CD1 3.54Å
182I98.9Very high97.7Very high1 Ų132 Ų321%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-118.7120.4-178.1-69.8172.7000109.1F165 A172 L176 L184 L206 R210 L211 L212F165-I182 HydrophobicContact CB-CG2 3.61Å; F165-I182 HydrophobicContact CD1-CG2 4.11Å; F165-I182 HydrophobicContact CG-CG2 3.91Å; A172-I182 HydrophobicContact CB-CD1 3.91Å; L176-I182 HydrophobicContact CD1-CD1 4.31Å; L176-I182 HydrophobicContact CD2-CD1 4.15Å; L176-I182 HydrophobicContact CG-CD1 3.99Å; I182-L184 HydrophobicContact CG2-CD2 3.81Å; I182-L184 HydrophobicContact CG2-CG 4.29Å; I182-L206 HydrophobicContact CD1-CD2 3.54Å; I182-R210 PolarHBondContact N-O 3.01Å; I182-L211 HydrophobicContact CB-CD2 4.08Å; I182-L211 HydrophobicContact CG2-CD2 4.04Å; I182-L211 WeakPolarHBondContact O-CA 3.21Å; I182-L212 PolarHBondContact O-N 2.95Å
183G98.9Very high97.5Very high0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-89.7128.517400000111.5I162 C164 F165 E214I162-G183 PolarHBondContact O-N 3.38Å; C164-G183 PolarHBondContact N-O 3.01Å; F165-G183 PolarHBondContact N-O 3.42Å; G183-E214 WeakPolarHBondContact CA-OE1 3.42Å
184L98.9Very high97.3Very high2 Ų236.6 Ų36.61%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-117143.5-179.2-62.1-175.1000112F165 I182 V197 L201 L206 L211 L212 E214 I266F165-L184 HydrophobicContact CB-CD2 4.45Å; I182-L184 HydrophobicContact CG2-CD2 3.81Å; I182-L184 HydrophobicContact CG2-CG 4.29Å; L184-V197 HydrophobicContact CD1-CG1 4.1Å; L184-V197 HydrophobicContact CD2-CG1 3.68Å; L184-L201 HydrophobicContact CD1-CD1 4.38Å; L184-L201 HydrophobicContact CD1-CD2 4.09Å; L184-L206 HydrophobicContact CD1-CD1 4.22Å; L184-L211 HydrophobicContact CD1-CD1 4.43Å; L184-L211 HydrophobicContact CD1-CD2 3.73Å; L184-L211 HydrophobicContact CG-CD2 3.96Å; L184-L212 PolarHBondContact N-O 3.45Å; L184-E214 PolarHBondContact O-N 3.22Å; L184-E214 VanDerWaalsContact O-N 3.07Å; L184-I266 HydrophobicContact CB-CD1 3.95Å; L184-I266 HydrophobicContact CD1-CD1 4Å; L184-I266 HydrophobicContact CD1-CG1 4.14Å
185T98.7Very high97.2Very high3 Ų338.8 Ų38.82%0.01820%0.203CC..  trans-122.1-174.9-175.572.60000113.1C164 Y187 L188 E214 D216 M220C164-T185 HydrophobicContact CB-CG2 3.7Å; C164-T185 WeakPolarHBondContact SG-CG2 3.5Å; T185-Y187 PolarHBondContact O-N 3.39Å; T185-Y187 VanDerWaalsContact OG1-CB 3.29Å; T185-Y187 WeakPolarHBondContact OG1-CB 3.46Å; T185-Y187 PolarHBondContact OG1-N 2.86Å; T185-L188 WeakPolarHBondContact O-CG 3.23Å; T185-E214 WeakPolarHBondContact CA-O 3.35Å; T185-E214 HydrophobicContact CG2-CG 3.44Å; T185-E214 VanDerWaalsContact CG2-CG 3.44Å; T185-D216 HydrophobicContact CG2-CB 4.2Å; T185-M220 HydrophobicContact CG2-CB 4.32Å; T185-M220 HydrophobicContact CG2-CG 4.12Å; T185-M220 WeakPolarHBondContact OG1-CB 3.38Å; T185-M220 WeakPolarHBondContact OG1-CG 3.45Å
186G97.9Very high97.2Very high0 Ų038.8 Ų38.80%020%0.203CC..G310 helixtrans-64.8-0.216900000114.6L188 M220 I262G186-L188 PolarHBondContact O-N 2.98Å; G186-M220 CarbonylContact C-O 3.58Å; G186-M220 WeakPolarHBondContact CA-O 3.46Å; G186-M220 PolarHBondContact N-O 3.35Å; G186-I262 VanDerWaalsContact N-CD1 3.34Å
187Y96.8Very high97.2Very high32 Ų3237.1 Ų37.113%0.12519%0.194CC..G310 helixtrans-49.8-28.4168.5174-99.4000113.4T166 T185 W189 K190 D191T166-Y187 HydrophobicContact CG2-CD1 3.66Å; T166-Y187 HydrophobicContact CG2-CD2 3.75Å; T166-Y187 HydrophobicContact CG2-CE1 3.81Å; T166-Y187 HydrophobicContact CG2-CE2 3.93Å; T166-Y187 HydrophobicContact CG2-CG 3.64Å; T185-Y187 PolarHBondContact O-N 3.39Å; T185-Y187 VanDerWaalsContact OG1-CB 3.29Å; T185-Y187 WeakPolarHBondContact OG1-CB 3.46Å; T185-Y187 PolarHBondContact OG1-N 2.86Å; Y187-W189 PolarHBondContact O-N 3.37Å; Y187-K190 HydrophobicContact CD2-CD 4.3Å; Y187-K190 HydrophobicContact CD2-CG 3.98Å; Y187-K190 HydrophobicContact CE2-CG 4.19Å; Y187-K190 VanDerWaalsContact O-CG 3.22Å; Y187-K190 WeakPolarHBondContact O-CG 3.49Å; Y187-K190 PolarHBondContact O-N 3.14Å; Y187-D191 HydrophobicContact CD1-CB 3.98Å; Y187-D191 HydrophobicContact CE1-CB 3.38Å; Y187-D191 PolarHBondContact O-N 2.97Å; Y187-D191 VanDerWaalsContact O-N 3.17Å; Y187-D191 PolarHBondContact OH-OD1 2.92Å
188L96.9Very high97.1Very high2 Ų233.3 Ų33.31%0.0117%0.172CC..G310 helixtrans-52-23.5-175.4-68.3172.7000116.2T185 G186 V197 K198 L201 I262 M265 I266 Y269T185-L188 WeakPolarHBondContact O-CG 3.23Å; G186-L188 PolarHBondContact O-N 2.98Å; L188-V197 HydrophobicContact CD2-CB 4.19Å; L188-V197 HydrophobicContact CD2-CG1 3.41Å; L188-V197 VanDerWaalsContact CD2-CG1 3.41Å; L188-K198 WeakPolarHBondContact O-CE 3.29Å; L188-L201 HydrophobicContact CD1-CD1 4.48Å; L188-L201 HydrophobicContact CD2-CD1 3.67Å; L188-I262 HydrophobicContact CD1-CG2 4.43Å; L188-M265 HydrophobicContact CB-CE 3.57Å; L188-M265 HydrophobicContact CD1-CB 4.13Å; L188-I266 HydrophobicContact CD1-CD1 4.31Å; L188-I266 HydrophobicContact CD1-CG1 3.46Å; L188-I266 VanDerWaalsContact CD1-CG1 3.46Å; L188-Y269 HydrophobicContact CB-CE2 4.28Å; L188-Y269 PolarHBondContact O-OH 2.77Å
189W96.2Very high97.1Very high30 Ų3034 Ų3411%0.11417%0.174CC..G310 helixtrans-78.3-30.6177.670.9-92.5000111.7Y187 K198 Y221 N223 A226 K228 L229 F251 M265Y187-W189 PolarHBondContact O-N 3.37Å; W189-K198 PolarHBondContact O-NZ 3.01Å; W189-Y221 PolarHBondContact NE1-O 3.29Å; W189-N223 HydrophobicContact CD2-CB 3.8Å; W189-N223 HydrophobicContact CE3-CB 4.35Å; W189-N223 HydrophobicContact CG-CB 4.11Å; W189-N223 HydrophobicContact CH2-CB 4.47Å; W189-N223 HydrophobicContact CZ2-CB 3.97Å; W189-A226 HydrophobicContact CD2-CB 3.96Å; W189-A226 HydrophobicContact CE3-CB 3.23Å; W189-A226 HydrophobicContact CZ3-CB 3.63Å; W189-K228 HydrophobicContact CE3-CB 4.42Å; W189-K228 HydrophobicContact CZ3-CD 4.39Å; W189-L229 HydrophobicContact CB-CB 4.32Å; W189-L229 HydrophobicContact CB-CD1 4.16Å; W189-F251 HydrophobicContact CH2-CE1 4.03Å; W189-F251 AromaticContact CH2-CZ 3.98Å; W189-F251 HydrophobicContact CH2-CZ 3.98Å; W189-F251 AromaticContact CZ2-CE1 3.59Å; W189-F251 HydrophobicContact CZ2-CE1 3.59Å; W189-F251 AromaticContact CZ2-CZ 3.83Å; W189-F251 HydrophobicContact CZ2-CZ 3.83Å; W189-M265 HydrophobicContact CB-CE 3.7Å; W189-M265 VanDerWaalsContact N-CE 3.33Å
190K95.5Very high97.1Very high82 Ų8232.5 Ų32.536%0.35716%0.158SC..THydrogen-bonded Turntrans-103.7-2.3-173.964.7175.4-174.6-175.30114.3Y187 T192Y187-K190 HydrophobicContact CD2-CD 4.3Å; Y187-K190 HydrophobicContact CD2-CG 3.98Å; Y187-K190 HydrophobicContact CE2-CG 4.19Å; Y187-K190 VanDerWaalsContact O-CG 3.22Å; Y187-K190 WeakPolarHBondContact O-CG 3.49Å; Y187-K190 PolarHBondContact O-N 3.14Å; K190-T192 PolarHBondContact O-N 3.5Å
191D96.1Very high97.1Very high6 Ų632.1 Ų32.13%0.03216%0.157CC..  trans-53.9122.6173.7178.918.7000110.9Y187 V193 V197 K198Y187-D191 HydrophobicContact CD1-CB 3.98Å; Y187-D191 HydrophobicContact CE1-CB 3.38Å; Y187-D191 PolarHBondContact O-N 2.97Å; Y187-D191 VanDerWaalsContact O-N 3.17Å; Y187-D191 PolarHBondContact OH-OD1 2.92Å; D191-V193 PolarHBondContact OD1-N 2.84Å; D191-V197 WeakPolarHBondContact OD2-CA 3.25Å; D191-V197 PolarHBondContact OD2-N 3.02Å; D191-K198 HydrophobicContact CB-CD 3.89Å; D191-K198 HydrophobicContact CB-CG 3.91Å; D191-K198 WeakPolarHBondContact O-CD 3.33Å; D191-K198 VanDerWaalsContact O-CE 3.28Å; D191-K198 WeakPolarHBondContact O-CE 3.39Å; D191-K198 PolarHBondContact O-NZ 3.13Å; D191-K198 PolarHBondContact OD2-N 3.08Å
192T93.4Very high97Very high114 Ų11437.2 Ų37.270%0.69918%0.179SC*.  trans-129.38.4177.554.10000111.6K190 E194K190-T192 PolarHBondContact O-N 3.5Å; T192-E194 PolarHBondContact O-N 3.05Å
193V94.3Very high96.9Very high56 Ų5641.2 Ų41.234%0.33920%0.201SC..  trans-70.3128.6179.3177.60000108.2T168 D191 H195 G196T168-V193 HydrophobicContact CG2-CG1 4.13Å; D191-V193 PolarHBondContact OD1-N 2.84Å; V193-H195 PolarHBondContact O-N 2.64Å; V193-G196 PolarHBondContact O-N 3.06Å
194E93.7Very high96.8Very high160 Ų16048.1 Ų48.175%0.74823%0.226SC*.THydrogen-bonded Turntrans-62.9131.4172.6-175170.9-159.600109T192 G196T192-E194 PolarHBondContact O-N 3.05Å; E194-G196 PolarHBondContact O-N 2.96Å; E194-G196 VanDerWaalsContact O-N 3.1Å
195H97.1Very high96.7Very high74 Ų7451.5 Ų51.534%0.34324%0.244SC..THydrogen-bonded Turntrans53.126.4-169.4-54.1-59.9000114.5M169 V193 F199M169-H195 HydrophobicContact CB-CB 4.15Å; M169-H195 WeakPolarHBondContact CB-O 3.43Å; M169-H195 PolarHBondContact N-O 2.72Å; V193-H195 PolarHBondContact O-N 2.64Å; H195-F199 HydrophobicContact CB-CD1 4.08Å; H195-F199 HydrophobicContact CB-CE1 4.42Å; H195-F199 HydrophobicContact CB-CG 4.44Å; H195-F199 AromaticContact CE1-CE2 3.89Å; H195-F199 AromaticContact CE1-CZ 3.86Å; H195-F199 AromaticContact ND1-CD1 3.67Å; H195-F199 AromaticContact ND1-CD2 3.7Å; H195-F199 AromaticContact ND1-CE1 3.41Å; H195-F199 WeakPolarHBondContact ND1-CE1 3.36Å; H195-F199 AromaticContact ND1-CE2 3.44Å; H195-F199 WeakPolarHBondContact ND1-CE2 3.41Å; H195-F199 AromaticContact ND1-CG 3.82Å; H195-F199 AromaticContact ND1-CZ 3.3Å; H195-F199 VanDerWaalsContact ND1-CZ 3.3Å; H195-F199 WeakPolarHBondContact ND1-CZ 3.29Å
196G97.7Very high96.7Very high0 Ų051.7 Ų51.70%025%0.245CC..SBendtrans-76.9-160176.100000114.4V193 E194 K198 F199 M200V193-G196 PolarHBondContact O-N 3.06Å; E194-G196 PolarHBondContact O-N 2.96Å; E194-G196 VanDerWaalsContact O-N 3.1Å; G196-K198 PolarHBondContact O-N 3.41Å; G196-F199 WeakPolarHBondContact O-CB 3.38Å; G196-F199 PolarHBondContact O-N 3.18Å; G196-F199 VanDerWaalsContact O-N 3.1Å; G196-M200 WeakPolarHBondContact O-CG 3.38Å; G196-M200 PolarHBondContact O-N 3.16Å
197V98.2Very high96.7Very high0 Ų054.1 Ų54.10%026%0.261CS..Hα-helixtrans-57.5-47.2-173.4-172.20000112.9F165 L184 L188 D191 F199 M200 L201 L206F165-V197 HydrophobicContact CD1-CG2 3.92Å; F165-V197 HydrophobicContact CE1-CG2 4.16Å; L184-V197 HydrophobicContact CD1-CG1 4.1Å; L184-V197 HydrophobicContact CD2-CG1 3.68Å; L188-V197 HydrophobicContact CD2-CB 4.19Å; L188-V197 HydrophobicContact CD2-CG1 3.41Å; L188-V197 VanDerWaalsContact CD2-CG1 3.41Å; D191-V197 WeakPolarHBondContact OD2-CA 3.25Å; D191-V197 PolarHBondContact OD2-N 3.02Å; V197-F199 VanDerWaalsContact C-N 3.29Å; V197-F199 PolarHBondContact O-N 3.17Å; V197-M200 PolarHBondContact O-N 3.32Å; V197-L201 HydrophobicContact CG1-CD1 4.11Å; V197-L201 HydrophobicContact CG1-CG 4.32Å; V197-L201 WeakPolarHBondContact O-CG 3.5Å; V197-L201 PolarHBondContact O-N 2.9Å; V197-L206 HydrophobicContact CG1-CD1 4.26Å
198K96.7Very high96.8Very high32 Ų3253.9 Ų53.914%0.13926%0.262CS..Hα-helixtrans-58.3-42.7177.3-75.6174.6-177.8173.30111.7L188 W189 D191 G196 K202 Y269L188-K198 WeakPolarHBondContact O-CE 3.29Å; W189-K198 PolarHBondContact O-NZ 3.01Å; D191-K198 HydrophobicContact CB-CD 3.89Å; D191-K198 HydrophobicContact CB-CG 3.91Å; D191-K198 WeakPolarHBondContact O-CD 3.33Å; D191-K198 VanDerWaalsContact O-CE 3.28Å; D191-K198 WeakPolarHBondContact O-CE 3.39Å; D191-K198 PolarHBondContact O-NZ 3.13Å; D191-K198 PolarHBondContact OD2-N 3.08Å; G196-K198 PolarHBondContact O-N 3.41Å; K198-K202 WeakPolarHBondContact O-CB 3.38Å; K198-K202 VanDerWaalsContact O-CG 3.24Å; K198-K202 WeakPolarHBondContact O-CG 3.39Å; K198-K202 PolarHBondContact O-N 2.78Å; K198-K202 VanDerWaalsContact O-N 3.1Å; K198-Y269 HydrophobicContact CB-CE1 4.5Å; K198-Y269 HydrophobicContact CD-CE1 4.29Å; K198-Y269 VanDerWaalsContact CE-OH 3.23Å; K198-Y269 WeakPolarHBondContact CE-OH 3.5Å; K198-Y269 HydrophobicContact CG-CE1 4.01Å; K198-Y269 HydrophobicContact CG-CE2 4.14Å
199F97.6Very high96.8Very high70 Ų7057.7 Ų57.731%0.30728%0.282SS..Hα-helixtrans-64.8-46.6179.1175.6-89000110.3M169 H195 G196 V197 L201 K202 N203 L205M169-F199 HydrophobicContact SD-CE1 4.01Å; H195-F199 HydrophobicContact CB-CD1 4.08Å; H195-F199 HydrophobicContact CB-CE1 4.42Å; H195-F199 HydrophobicContact CB-CG 4.44Å; H195-F199 AromaticContact CE1-CE2 3.89Å; H195-F199 AromaticContact CE1-CZ 3.86Å; H195-F199 AromaticContact ND1-CD1 3.67Å; H195-F199 AromaticContact ND1-CD2 3.7Å; H195-F199 AromaticContact ND1-CE1 3.41Å; H195-F199 WeakPolarHBondContact ND1-CE1 3.36Å; H195-F199 AromaticContact ND1-CE2 3.44Å; H195-F199 WeakPolarHBondContact ND1-CE2 3.41Å; H195-F199 AromaticContact ND1-CG 3.82Å; H195-F199 AromaticContact ND1-CZ 3.3Å; H195-F199 VanDerWaalsContact ND1-CZ 3.3Å; H195-F199 WeakPolarHBondContact ND1-CZ 3.29Å; G196-F199 WeakPolarHBondContact O-CB 3.38Å; G196-F199 PolarHBondContact O-N 3.18Å; G196-F199 VanDerWaalsContact O-N 3.1Å; V197-F199 VanDerWaalsContact C-N 3.29Å; V197-F199 PolarHBondContact O-N 3.17Å; F199-L201 PolarHBondContact O-N 3.06Å; F199-K202 PolarHBondContact O-N 3.24Å; F199-N203 WeakPolarHBondContact CD2-ND2 3.48Å; F199-N203 VanDerWaalsContact CE2-ND2 3.32Å; F199-N203 WeakPolarHBondContact CE2-ND2 3.5Å; F199-N203 WeakPolarHBondContact CZ-ND2 3.46Å; F199-N203 WeakPolarHBondContact O-CB 3.42Å; F199-N203 PolarHBondContact O-N 3.01Å; F199-N203 PolarHBondContact O-ND2 3.47Å; F199-L205 HydrophobicContact CD1-CD1 4.45Å; F199-L205 HydrophobicContact CE1-CD1 4.03Å
200M98.5Very high96.9Very high2 Ų259.7 Ų59.71%0.0129%0.29CS..Hα-helixtrans-64.8-39.8179.9-67.2-168.1-81.600113.3F165 M169 A172 G196 V197 N203 R204 L205 L206F165-M200 HydrophobicContact CD1-CE 4.36Å; F165-M200 HydrophobicContact CE1-CE 3.51Å; F165-M200 HydrophobicContact CZ-CE 4.26Å; M169-M200 VanDerWaalsContact CA-SD 3.58Å; M169-M200 HydrophobicContact CB-CG 4.03Å; M169-M200 HydrophobicContact CB-SD 4.16Å; M169-M200 HydrophobicContact CG-CG 4.23Å; M169-M200 HydrophobicContact CG-SD 4.4Å; A172-M200 HydrophobicContact CB-CE 3.68Å; A172-M200 HydrophobicContact CB-SD 3.39Å; A172-M200 WeakPolarHBondContact CB-SD 3.49Å; G196-M200 WeakPolarHBondContact O-CG 3.38Å; G196-M200 PolarHBondContact O-N 3.16Å; V197-M200 PolarHBondContact O-N 3.32Å; M200-N203 CarbonylContact O-C 3.54Å; M200-N203 PolarHBondContact O-N 2.99Å; M200-R204 PolarHBondContact O-N 3.46Å; M200-L205 HydrophobicContact CB-CB 4.04Å; M200-L205 HydrophobicContact CG-CB 4.26Å; M200-L205 HydrophobicContact CG-CD1 4.4Å; M200-L205 PolarHBondContact O-N 3.02Å; M200-L206 HydrophobicContact CB-CD1 4.08Å; M200-L206 HydrophobicContact CB-CG 3.83Å; M200-L206 HydrophobicContact CE-CD1 4.1Å; M200-L206 HydrophobicContact CE-CD2 4.08Å; M200-L206 HydrophobicContact CE-CG 4.3Å; M200-L206 HydrophobicContact SD-CD1 4.46Å; M200-L206 HydrophobicContact SD-CD2 3.77Å; M200-L206 HydrophobicContact SD-CG 4.04Å
201L98.1Very high97.1Very high1 Ų155.9 Ų55.91%0.00527%0.273CS..Hα-helixtrans-61.5-49.3174.7-69.9175.9000110.9L184 L188 V197 F199 N203 R204 L206 L211 I266 Y269 S270L184-L201 HydrophobicContact CD1-CD1 4.38Å; L184-L201 HydrophobicContact CD1-CD2 4.09Å; L188-L201 HydrophobicContact CD1-CD1 4.48Å; L188-L201 HydrophobicContact CD2-CD1 3.67Å; V197-L201 HydrophobicContact CG1-CD1 4.11Å; V197-L201 HydrophobicContact CG1-CG 4.32Å; V197-L201 WeakPolarHBondContact O-CG 3.5Å; V197-L201 PolarHBondContact O-N 2.9Å; F199-L201 PolarHBondContact O-N 3.06Å; L201-N203 PolarHBondContact O-N 3.29Å; L201-R204 PolarHBondContact O-N 3.1Å; L201-L206 HydrophobicContact CD2-CB 4.38Å; L201-L206 HydrophobicContact CD2-CD1 4Å; L201-L206 HydrophobicContact CG-CD1 4.31Å; L201-L211 HydrophobicContact CD2-CD1 4.25Å; L201-I266 HydrophobicContact CD1-CG1 4.42Å; L201-I266 HydrophobicContact CD2-CG2 4.01Å; L201-Y269 HydrophobicContact CD1-CD2 4.27Å; L201-Y269 HydrophobicContact CD1-CG 4.48Å; L201-S270 WeakPolarHBondContact CD2-OG 3.22Å; L201-S270 WeakPolarHBondContact O-CA 3.46Å
202K97Very high97.2Very high115 Ų11555.6 Ų55.650%0.527%0.272SS..Hα-helixtrans-58.1-36.2178.2-74.3176179.4-171.50113.3K198 F199 Y269K198-K202 WeakPolarHBondContact O-CB 3.38Å; K198-K202 VanDerWaalsContact O-CG 3.24Å; K198-K202 WeakPolarHBondContact O-CG 3.39Å; K198-K202 PolarHBondContact O-N 2.78Å; K198-K202 VanDerWaalsContact O-N 3.1Å; F199-K202 PolarHBondContact O-N 3.24Å; K202-Y269 VanDerWaalsContact CA-O 3.31Å; K202-Y269 WeakPolarHBondContact CA-O 3.45Å; K202-Y269 HydrophobicContact CG-CD1 4.25Å
203N97.8Very high97.5Very high85 Ų8550.3 Ų50.346%0.45524%0.239SC..THydrogen-bonded Turntrans-95.27.9179.8-66.3-76.6000113.4F199 M200 L201 L205F199-N203 WeakPolarHBondContact CD2-ND2 3.48Å; F199-N203 VanDerWaalsContact CE2-ND2 3.32Å; F199-N203 WeakPolarHBondContact CE2-ND2 3.5Å; F199-N203 WeakPolarHBondContact CZ-ND2 3.46Å; F199-N203 WeakPolarHBondContact O-CB 3.42Å; F199-N203 PolarHBondContact O-N 3.01Å; F199-N203 PolarHBondContact O-ND2 3.47Å; M200-N203 CarbonylContact O-C 3.54Å; M200-N203 PolarHBondContact O-N 2.99Å; L201-N203 PolarHBondContact O-N 3.29Å; N203-L205 HydrophobicContact CB-CD1 4.07Å; N203-L205 HydrophobicContact CB-CG 3.87Å; N203-L205 PolarHBondContact O-N 3.48Å
204R95.7Very high97.7Very high144 Ų14447.6 Ų47.654%0.54322%0.223SC..THydrogen-bonded Turntrans5535.7179.4-56.3179.5179.3-99.2-5.1114.1M200 L201 S270 N271M200-R204 PolarHBondContact O-N 3.46Å; L201-R204 PolarHBondContact O-N 3.1Å; R204-S270 VanDerWaalsContact CZ-O 3.23Å; R204-S270 PolarHBondContact NH2-O 3.29Å; R204-N271 PolarHBondContact NH2-O 3.11Å
205L97.8Very high97.9Very high73 Ų7340 Ų4038%0.38219%0.187SC..  trans-86-14.8179.5-56.1179.2000112.8M169 F199 M200 N203 P207M169-L205 HydrophobicContact CG-CD1 3.9Å; M169-L205 HydrophobicContact SD-CD1 3.37Å; M169-L205 WeakPolarHBondContact SD-CD1 3.39Å; F199-L205 HydrophobicContact CD1-CD1 4.45Å; F199-L205 HydrophobicContact CE1-CD1 4.03Å; M200-L205 HydrophobicContact CB-CB 4.04Å; M200-L205 HydrophobicContact CG-CB 4.26Å; M200-L205 HydrophobicContact CG-CD1 4.4Å; M200-L205 PolarHBondContact O-N 3.02Å; N203-L205 HydrophobicContact CB-CD1 4.07Å; N203-L205 HydrophobicContact CB-CG 3.87Å; N203-L205 PolarHBondContact O-N 3.48Å; L205-P207 WeakPolarHBondContact O-CD 3.29Å
206L98.1Very high98Very high8 Ų837.1 Ų37.14%0.04217%0.174CC..SBendtrans-100.3102.5169.7-63.3176.2000109.1A172 L176 I182 L184 V197 M200 L201 L211A172-L206 HydrophobicContact CB-CD2 4.07Å; L176-L206 HydrophobicContact CD1-CD2 4.21Å; I182-L206 HydrophobicContact CD1-CD2 3.54Å; L184-L206 HydrophobicContact CD1-CD1 4.22Å; V197-L206 HydrophobicContact CG1-CD1 4.26Å; M200-L206 HydrophobicContact CB-CD1 4.08Å; M200-L206 HydrophobicContact CB-CG 3.83Å; M200-L206 HydrophobicContact CE-CD1 4.1Å; M200-L206 HydrophobicContact CE-CD2 4.08Å; M200-L206 HydrophobicContact CE-CG 4.3Å; M200-L206 HydrophobicContact SD-CD1 4.46Å; M200-L206 HydrophobicContact SD-CD2 3.77Å; M200-L206 HydrophobicContact SD-CG 4.04Å; L201-L206 HydrophobicContact CD2-CB 4.38Å; L201-L206 HydrophobicContact CD2-CD1 4Å; L201-L206 HydrophobicContact CG-CD1 4.31Å; L206-L211 HydrophobicContact CB-CD1 3.92Å; L206-L211 HydrophobicContact CB-CD2 4.03Å; L206-L211 HydrophobicContact CB-CG 4.17Å; L206-L211 HydrophobicContact CD1-CD2 4.23Å
207P97.7Very high98Very high51 Ų5137.1 Ų37.133%0.33117%0.174SC..  trans-72.6135.2-176.229.6-33.2000110.7L176 L205 N209 R210 L211L176-P207 HydrophobicContact CD2-CG 4.23Å; L205-P207 WeakPolarHBondContact O-CD 3.29Å; P207-N209 WeakPolarHBondContact CB-OD1 3.09Å; P207-N209 PolarHBondContact O-N 2.94Å; P207-N209 VanDerWaalsContact O-N 3.09Å; P207-R210 HydrophobicContact CG-CB 4.05Å; P207-R210 HydrophobicContact CG-CG 4.1Å; P207-R210 PolarHBondContact O-N 3.33Å; P207-L211 PolarHBondContact O-N 2.89Å
208L98.2Very high98Very high27 Ų2737.6 Ų37.614%0.14118%0.178CC..G310 helixtrans-58.9-27.3-174.9-67.5177.7000113.7R210 L211 V272 E276 V277 R280 N284L208-R210 PolarHBondContact O-N 3.4Å; L208-L211 HydrophobicContact CD2-CD1 4.09Å; L208-L211 PolarHBondContact O-N 3.35Å; L208-V272 HydrophobicContact CD1-CG2 4.44Å; L208-E276 HydrophobicContact CD1-CG 3.89Å; L208-V277 HydrophobicContact CD2-CG2 4Å; L208-R280 HydrophobicContact CB-CB 4.03Å; L208-R280 HydrophobicContact CB-CG 4.08Å; L208-N284 PolarHBondContact O-ND2 3.5Å
209N97.8Very high98.1Very high81 Ų8142.6 Ų42.643%0.43320%0.196SC..G310 helixtrans-78.66.1175.370.2-15.6000114Y181 P207Y181-N209 WeakPolarHBondContact CE1-O 3.42Å; P207-N209 WeakPolarHBondContact CB-OD1 3.09Å; P207-N209 PolarHBondContact O-N 2.94Å; P207-N209 VanDerWaalsContact O-N 3.09Å
210R98.4Very high98.1Very high73 Ų7341.1 Ų41.128%0.27519%0.191SC..G310 helixtrans-126.45.7169.9-67.2-67-176.1-91.10.1113.1L176 Y181 I182 P207 L208L176-R210 HydrophobicContact CD2-CB 3.59Å; L176-R210 HydrophobicContact CD2-CG 3.89Å; Y181-R210 CarbonylContact C-O 3.6Å; Y181-R210 VanDerWaalsContact CA-O 3.3Å; Y181-R210 WeakPolarHBondContact CA-O 3.39Å; Y181-R210 HydrophobicContact CD1-CB 4.41Å; I182-R210 PolarHBondContact N-O 3.01Å; P207-R210 HydrophobicContact CG-CB 4.05Å; P207-R210 HydrophobicContact CG-CG 4.1Å; P207-R210 PolarHBondContact O-N 3.33Å; L208-R210 PolarHBondContact O-N 3.4Å
211L98.8Very high98Very high2 Ų242.3 Ų42.31%0.0120%0.195CC..EExtended strand (participates in β ladder)trans-97.6144178.5-76.7177.4000112.2I182 L184 L201 L206 P207 L208 T281 N284I182-L211 HydrophobicContact CB-CD2 4.08Å; I182-L211 HydrophobicContact CG2-CD2 4.04Å; I182-L211 WeakPolarHBondContact O-CA 3.21Å; L184-L211 HydrophobicContact CD1-CD1 4.43Å; L184-L211 HydrophobicContact CD1-CD2 3.73Å; L184-L211 HydrophobicContact CG-CD2 3.96Å; L201-L211 HydrophobicContact CD2-CD1 4.25Å; L206-L211 HydrophobicContact CB-CD1 3.92Å; L206-L211 HydrophobicContact CB-CD2 4.03Å; L206-L211 HydrophobicContact CB-CG 4.17Å; L206-L211 HydrophobicContact CD1-CD2 4.23Å; P207-L211 PolarHBondContact O-N 2.89Å; L208-L211 HydrophobicContact CD2-CD1 4.09Å; L208-L211 PolarHBondContact O-N 3.35Å; L211-T281 HydrophobicContact CB-CG2 4.12Å; L211-T281 WeakPolarHBondContact O-CG2 3.39Å; L211-N284 PolarHBondContact O-ND2 3.31Å
212L98.9Very high98Very high0 Ų042.2 Ų42.20%020%0.195CC..EExtended strand (participates in β ladder)trans-131.2162.2170.1-63159.1000108.8I13 V161 Y181 I182 L184 N284 A285 I288 F289I13-L212 HydrophobicContact CD1-CB 3.57Å; I13-L212 HydrophobicContact CD1-CD1 3.82Å; I13-L212 HydrophobicContact CD1-CG 4.25Å; I13-L212 HydrophobicContact CG1-CB 4.34Å; I13-L212 HydrophobicContact CG2-CB 4.35Å; I13-L212 HydrophobicContact CG2-CD2 4.26Å; V161-L212 HydrophobicContact CB-CD1 4.25Å; V161-L212 HydrophobicContact CG1-CD1 3.6Å; V161-L212 HydrophobicContact CG2-CD1 3.6Å; Y181-L212 HydrophobicContact CD1-CD1 4.39Å; Y181-L212 HydrophobicContact CG-CD1 4.27Å; I182-L212 PolarHBondContact O-N 2.95Å; L184-L212 PolarHBondContact N-O 3.45Å; L212-N284 HydrophobicContact CD2-CB 3.65Å; L212-N284 HydrophobicContact CG-CB 4.46Å; L212-A285 HydrophobicContact CD2-CB 3.8Å; L212-I288 HydrophobicContact CD1-CD1 3.78Å; L212-I288 HydrophobicContact CD2-CD1 4.15Å; L212-I288 HydrophobicContact CG-CD1 4.41Å; L212-F289 HydrophobicContact CD1-CE2 4.49Å
213V98.9Very high98.1Very high2 Ų238 Ų381%0.01218%0.178CC..EExtended strand (participates in β ladder)trans-125141.2179.6-68.20000110.7I13 L259 V263 I266 T281I13-V213 PolarHBondContact N-O 3.38Å; V213-L259 HydrophobicContact CB-CD1 3.81Å; V213-L259 HydrophobicContact CG2-CD1 3.86Å; V213-L259 HydrophobicContact CG2-CD2 4.12Å; V213-L259 HydrophobicContact CG2-CG 4.12Å; V213-V263 HydrophobicContact CB-CG2 4.45Å; V213-V263 HydrophobicContact CG1-CG2 4.06Å; V213-V263 HydrophobicContact CG2-CG2 4.1Å; V213-I266 HydrophobicContact CG1-CD1 3.55Å; V213-T281 HydrophobicContact CG1-CG2 4.07Å
214E98.9Very high98Very high0 Ų034.6 Ų34.60%016%0.159CC..  trans-145.8150.1176.566.8-161.4104.300110.3D12 I13 H163 C164 G183 L184 T185 I262D12-E214 WeakPolarHBondContact OD1-CA 3.38Å; I13-E214 HydrophobicContact CG1-CB 3.66Å; I13-E214 HydrophobicContact CG1-CG 4.45Å; H163-E214 WeakPolarHBondContact CA-OE1 3.36Å; H163-E214 WeakPolarHBondContact CB-OE1 3.31Å; H163-E214 IonicContact CG-OE2 3.97Å; H163-E214 IonicContact ND1-OE2 3.82Å; H163-E214 PolarHBondContact ND1-OE2 3.39Å; C164-E214 PolarHBondContact N-OE1 2.89Å; G183-E214 WeakPolarHBondContact CA-OE1 3.42Å; L184-E214 PolarHBondContact O-N 3.22Å; L184-E214 VanDerWaalsContact O-N 3.07Å; T185-E214 WeakPolarHBondContact CA-O 3.35Å; T185-E214 HydrophobicContact CG2-CG 3.44Å; T185-E214 VanDerWaalsContact CG2-CG 3.44Å; E214-I262 WeakPolarHBondContact O-CD1 3.26Å
215T98.9Very high98Very high0 Ų036.2 Ų36.20%017%0.166CC..  trans-84.8-23.8173.560.60000112.8D12 A217 N254 S258 L259 I262D12-T215 PolarHBondContact OD1-N 3.16Å; D12-T215 WeakPolarHBondContact OD2-CB 2.96Å; D12-T215 VanDerWaalsContact OD2-CG2 3.3Å; D12-T215 WeakPolarHBondContact OD2-CG2 3.46Å; D12-T215 PolarHBondContact OD2-OG1 2.93Å; T215-A217 PolarHBondContact O-N 3.3Å; T215-A217 VanDerWaalsContact O-N 3.12Å; T215-A217 WeakPolarHBondContact OG1-CB 3.48Å; T215-A217 PolarHBondContact OG1-N 3.15Å; T215-N254 PolarHBondContact O-ND2 3.23Å; T215-S258 WeakPolarHBondContact CG2-OG 3.46Å; T215-L259 HydrophobicContact CG2-CB 3.75Å; T215-L259 HydrophobicContact CG2-CD1 3.83Å; T215-L259 HydrophobicContact CG2-CG 4.38Å; T215-I262 HydrophobicContact CG2-CD1 4.13Å
216D98.5Very high97.9Very high13 Ų1333.1 Ų33.17%0.0715%0.15CC..  trans48.132.9-167.2-170.531.7000111.1G14 N16 T185 Y219 M220G14-D216 VanDerWaalsContact O-CA 3.23Å; G14-D216 WeakPolarHBondContact O-CA 3.44Å; G14-D216 PolarHBondContact O-N 3.14Å; N16-D216 PolarHBondContact ND2-OD1 2.91Å; T185-D216 HydrophobicContact CG2-CB 4.2Å; D216-Y219 WeakPolarHBondContact O-CA 3.25Å; D216-Y219 VanDerWaalsContact O-CB 3.29Å; D216-Y219 WeakPolarHBondContact O-CB 3.44Å; D216-Y219 WeakPolarHBondContact O-CD2 3.38Å; D216-Y219 PolarHBondContact O-N 2.81Å; D216-M220 HydrophobicContact CB-CB 4.16Å; D216-M220 HydrophobicContact CB-CG 3.78Å; D216-M220 WeakPolarHBondContact OD2-CG 3.47Å
217A98.7Very high97.6Very high0 Ų042.8 Ų42.80%019%0.192CC..BIsolated β-bridgetrans-57.9136.4-176.400000109.6A15 N16 F22 T215 P256A15-A217 HydrophobicContact CB-CB 4.41Å; N16-A217 WeakPolarHBondContact CA-O 3.35Å; N16-A217 VanDerWaalsContact CB-O 3.25Å; N16-A217 WeakPolarHBondContact CB-O 2.96Å; N16-A217 PolarHBondContact N-O 3.05Å; N16-A217 PolarHBondContact ND2-O 2.79Å; F22-A217 HydrophobicContact CE2-CB 4.33Å; F22-A217 HydrophobicContact CZ-CB 4Å; T215-A217 PolarHBondContact O-N 3.3Å; T215-A217 VanDerWaalsContact O-N 3.12Å; T215-A217 WeakPolarHBondContact OG1-CB 3.48Å; T215-A217 PolarHBondContact OG1-N 3.15Å; A217-P256 HydrophobicContact CB-CG 4.46Å
218P98.1Very high97.2Very high11 Ų1147.1 Ų47.17%0.07121%0.206CC..THydrogen-bonded Turncis-89.99.214.338.9-39.8000115.1A21 F22 R253 N254A21-P218 HydrophobicContact CB-CB 3.54Å; A21-P218 HydrophobicContact CB-CG 3.55Å; F22-P218 HydrophobicContact CE2-CB 3.95Å; F22-P218 HydrophobicContact CE2-CG 4.36Å; F22-P218 HydrophobicContact CZ-CB 3.97Å; P218-R253 HydrophobicContact CB-CG 4.42Å; P218-N254 WeakPolarHBondContact CA-O 3.35Å; P218-N254 PolarHBondContact O-N 3.27Å
219Y97Very high96.9Very high137 Ų13745.9 Ų45.954%0.53720%0.199SC..SBendtrans-88.2-155.1-174.7-47.6-63.5000111.8D216 Y221 N254D216-Y219 WeakPolarHBondContact O-CA 3.25Å; D216-Y219 VanDerWaalsContact O-CB 3.29Å; D216-Y219 WeakPolarHBondContact O-CB 3.44Å; D216-Y219 WeakPolarHBondContact O-CD2 3.38Å; D216-Y219 PolarHBondContact O-N 2.81Å; Y219-Y221 PolarHBondContact O-N 3.11Å; Y219-N254 WeakPolarHBondContact O-CB 3.48Å; Y219-N254 PolarHBondContact O-ND2 3.1Å
220M97.5Very high96.6Very high38 Ų3843.9 Ų43.919%0.18719%0.192CC..  trans3736.2169.7-55.1-57.1169.700118.3C164 T185 G186 D216 P222C164-M220 WeakPolarHBondContact SG-CE 3.47Å; T185-M220 HydrophobicContact CG2-CB 4.32Å; T185-M220 HydrophobicContact CG2-CG 4.12Å; T185-M220 WeakPolarHBondContact OG1-CB 3.38Å; T185-M220 WeakPolarHBondContact OG1-CG 3.45Å; G186-M220 CarbonylContact C-O 3.58Å; G186-M220 WeakPolarHBondContact CA-O 3.46Å; G186-M220 PolarHBondContact N-O 3.35Å; D216-M220 HydrophobicContact CB-CB 4.16Å; D216-M220 HydrophobicContact CB-CG 3.78Å; D216-M220 WeakPolarHBondContact OD2-CG 3.47Å; M220-P222 WeakPolarHBondContact O-CD 3.32Å
221Y98.2Very high96.4Very high27 Ų2745.8 Ų45.811%0.10620%0.203CC..  trans-52.6122-179.2171.5-115.5000112.1W189 Y219 N223 V245 C249 S250 F251W189-Y221 PolarHBondContact NE1-O 3.29Å; Y219-Y221 PolarHBondContact O-N 3.11Å; Y221-N223 HydrophobicContact CD1-CB 3.92Å; Y221-N223 HydrophobicContact CE1-CB 3.63Å; Y221-N223 PolarHBondContact O-N 3.03Å; Y221-V245 HydrophobicContact CE2-CG1 3.72Å; Y221-C249 HydrophobicContact CD2-CB 3.8Å; Y221-C249 HydrophobicContact CE2-CB 3.57Å; Y221-S250 WeakPolarHBondContact CB-O 3.31Å; Y221-S250 WeakPolarHBondContact CD2-O 3.27Å; Y221-F251 AromaticContact CD1-CD1 4Å; Y221-F251 HydrophobicContact CD1-CD1 4Å; Y221-F251 AromaticContact CD1-CD2 3.91Å; Y221-F251 HydrophobicContact CD1-CD2 3.91Å; Y221-F251 HydrophobicContact CD1-CE1 4.2Å; Y221-F251 HydrophobicContact CD1-CE2 4.09Å; Y221-F251 AromaticContact CD1-CG 3.88Å; Y221-F251 HydrophobicContact CD1-CG 3.88Å; Y221-F251 HydrophobicContact CD1-CZ 4.25Å; Y221-F251 AromaticContact CE1-CD2 3.92Å; Y221-F251 HydrophobicContact CE1-CD2 3.92Å; Y221-F251 AromaticContact CE1-CE2 3.95Å; Y221-F251 HydrophobicContact CE1-CE2 3.95Å; Y221-F251 HydrophobicContact CE1-CG 4.36Å; Y221-F251 HydrophobicContact CE1-CZ 4.43Å
222P97.8Very high96.2Very high0 Ų049.8 Ų49.80%023%0.225CC..  trans-77.890.6175.929.8-31.5000109.9M220 I224 V245 N254 I262 M265M220-P222 WeakPolarHBondContact O-CD 3.32Å; P222-I224 VanDerWaalsContact C-N 3.32Å; P222-I224 WeakPolarHBondContact O-CG2 3.39Å; P222-I224 PolarHBondContact O-N 3.48Å; P222-V245 HydrophobicContact CG-CG2 4.24Å; P222-V245 WeakPolarHBondContact O-CG1 3.49Å; P222-N254 WeakPolarHBondContact CD-OD1 3.33Å; P222-I262 HydrophobicContact CB-CG1 4.24Å; P222-I262 HydrophobicContact CG-CG1 4.26Å; P222-M265 HydrophobicContact CB-SD 4.2Å
223N97.8Very high96Very high25 Ų2549.8 Ų49.813%0.13423%0.225CC..  trans-73.586.2177.3-174.9-0.1000111.4W189 Y221 R225 A226 F251W189-N223 HydrophobicContact CD2-CB 3.8Å; W189-N223 HydrophobicContact CE3-CB 4.35Å; W189-N223 HydrophobicContact CG-CB 4.11Å; W189-N223 HydrophobicContact CH2-CB 4.47Å; W189-N223 HydrophobicContact CZ2-CB 3.97Å; Y221-N223 HydrophobicContact CD1-CB 3.92Å; Y221-N223 HydrophobicContact CE1-CB 3.63Å; Y221-N223 PolarHBondContact O-N 3.03Å; N223-R225 PolarHBondContact O-N 3.32Å; N223-R225 PolarHBondContact OD1-N 2.98Å; N223-R225 VanDerWaalsContact OD1-N 3.15Å; N223-A226 HydrophobicContact CB-CB 4.12Å; N223-A226 VanDerWaalsContact O-CB 3.25Å; N223-A226 WeakPolarHBondContact O-CB 3.36Å; N223-A226 PolarHBondContact O-N 2.72Å; N223-A226 VanDerWaalsContact O-N 3.1Å; N223-A226 PolarHBondContact OD1-N 3.3Å; N223-A226 VanDerWaalsContact OD1-N 3.16Å; N223-F251 HydrophobicContact CB-CE2 4.31Å; N223-F251 HydrophobicContact CB-CZ 3.93Å; N223-F251 WeakPolarHBondContact ND2-CE2 3.39Å; N223-F251 WeakPolarHBondContact ND2-CZ 3.32Å
224I97.2Very high95.9Very high14 Ų1451.9 Ų51.97%0.07223%0.234CC..THydrogen-bonded Turntrans-67.6-14.4-179.766.5174.6000113.8P222 I237 V245 L246 A261P222-I224 VanDerWaalsContact C-N 3.32Å; P222-I224 WeakPolarHBondContact O-CG2 3.39Å; P222-I224 PolarHBondContact O-N 3.48Å; I224-I237 HydrophobicContact CB-CD1 3.85Å; I224-I237 HydrophobicContact CG2-CD1 3.62Å; I224-V245 HydrophobicContact CD1-CB 4.14Å; I224-V245 HydrophobicContact CD1-CG1 4.12Å; I224-V245 HydrophobicContact CG1-CG1 4.15Å; I224-V245 HydrophobicContact CG2-CG1 4.38Å; I224-L246 HydrophobicContact CD1-CD1 4.35Å; I224-L246 HydrophobicContact CD1-CD2 4.27Å; I224-L246 HydrophobicContact CD1-CG 4.06Å; I224-L246 HydrophobicContact CG1-CD2 4.3Å; I224-A261 HydrophobicContact CG2-CB 4.23Å
225R95.1Very high95.8Very high179 Ų17957.4 Ų57.468%0.67526%0.264SS*.THydrogen-bonded Turntrans-97-0175.5-70.3-177174.2173.50.1113.1N223 K227 L246N223-R225 PolarHBondContact O-N 3.32Å; N223-R225 PolarHBondContact OD1-N 2.98Å; N223-R225 VanDerWaalsContact OD1-N 3.15Å; R225-K227 PolarHBondContact O-N 3.07Å; R225-L246 HydrophobicContact CG-CD2 4.11Å; R225-L246 VanDerWaalsContact NE-CD2 3.33Å
226A94.7Very high95.7Very high7 Ų761.9 Ų61.96%0.05828%0.283CS..  trans-58.2136.6-176.200000111.7W189 N223 K228 L229 K234W189-A226 HydrophobicContact CD2-CB 3.96Å; W189-A226 HydrophobicContact CE3-CB 3.23Å; W189-A226 HydrophobicContact CZ3-CB 3.63Å; N223-A226 HydrophobicContact CB-CB 4.12Å; N223-A226 VanDerWaalsContact O-CB 3.25Å; N223-A226 WeakPolarHBondContact O-CB 3.36Å; N223-A226 PolarHBondContact O-N 2.72Å; N223-A226 VanDerWaalsContact O-N 3.1Å; N223-A226 PolarHBondContact OD1-N 3.3Å; N223-A226 VanDerWaalsContact OD1-N 3.16Å; A226-K228 PolarHBondContact O-N 3.37Å; A226-L229 HydrophobicContact CB-CB 4.3Å; A226-L229 WeakPolarHBondContact O-CB 3.48Å; A226-L229 PolarHBondContact O-N 3.18Å; A226-K234 WeakPolarHBondContact O-CE 3.4Å; A226-K234 PolarHBondContact O-NZ 2.99Å
227K91.8Very high95.6Very high212 Ų21262.2 Ų62.292%0.92229%0.285SS*.THydrogen-bonded Turntrans-59.8-29171.5-66.9-174.8179.4-178.30112.4R225 L229R225-K227 PolarHBondContact O-N 3.07Å; K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L229 PolarHBondContact O-N 3.28Å
228K90.5Very high95.5Very high142 Ų14263.9 Ų63.962%0.61730%0.296SS*.THydrogen-bonded Turntrans-72.9-16.9177.1-64.6-174.2177.4-174.70114W189 A226W189-K228 HydrophobicContact CE3-CB 4.42Å; W189-K228 HydrophobicContact CZ3-CD 4.39Å; A226-K228 PolarHBondContact O-N 3.37Å
229L92.6Very high95.4Very high1 Ų168.3 Ų68.31%0.00533%0.327CS..SBendtrans-83.1124.9174.2-173.863000108.5W189 A226 K227 V233 K234 I237 M265 Y269W189-L229 HydrophobicContact CB-CB 4.32Å; W189-L229 HydrophobicContact CB-CD1 4.16Å; A226-L229 HydrophobicContact CB-CB 4.3Å; A226-L229 WeakPolarHBondContact O-CB 3.48Å; A226-L229 PolarHBondContact O-N 3.18Å; K227-L229 VanDerWaalsContact C-N 3.29Å; K227-L229 PolarHBondContact O-N 3.28Å; L229-V233 HydrophobicContact CD1-CB 4.02Å; L229-V233 HydrophobicContact CD1-CG1 3.64Å; L229-V233 HydrophobicContact CD2-CG1 4.4Å; L229-V233 HydrophobicContact CG-CB 4.35Å; L229-V233 HydrophobicContact CG-CG1 4.18Å; L229-K234 HydrophobicContact CB-CG 4.43Å; L229-K234 HydrophobicContact CD2-CG 3.82Å; L229-K234 HydrophobicContact CG-CG 3.96Å; L229-K234 WeakPolarHBondContact O-CE 3.49Å; L229-K234 PolarHBondContact O-NZ 2.89Å; L229-I237 HydrophobicContact CD2-CD1 4.16Å; L229-M265 HydrophobicContact CD1-CE 3.85Å; L229-M265 HydrophobicContact CD2-CE 4.43Å; L229-Y269 HydrophobicContact CD1-CE2 4.47Å; L229-Y269 VanDerWaalsContact CD1-OH 3.26Å; L229-Y269 WeakPolarHBondContact CD1-OH 3.29Å
230S91Very high95.3Very high39 Ų3962.3 Ų62.327%0.27330%0.304SS..  trans-67149.6-176.4650000111.3D232 V233 K234S230-D232 VanDerWaalsContact C-N 3.32Å; S230-D232 WeakPolarHBondContact CB-OD1 3.32Å; S230-D232 PolarHBondContact O-N 2.9Å; S230-D232 PolarHBondContact OG-OD1 3.44Å; S230-V233 PolarHBondContact O-N 3.27Å; S230-V233 VanDerWaalsContact O-N 3.14Å; S230-V233 WeakPolarHBondContact OG-CG2 3.46Å; S230-K234 PolarHBondContact O-N 3.43Å; S230-K234 VanDerWaalsContact O-N 3.11Å
231Q93.9Very high95.3Very high112 Ų11260.5 Ų60.552%0.52330%0.296SS..Hα-helixtrans-65.7-37.8-171.8-16859.941.900112V233 K234 D235Q231-V233 PolarHBondContact O-N 2.89Å; Q231-K234 WeakPolarHBondContact O-CB 3.27Å; Q231-K234 PolarHBondContact O-N 3.23Å; Q231-K234 VanDerWaalsContact O-N 3.08Å; Q231-D235 PolarHBondContact NE2-OD1 3.05Å; Q231-D235 PolarHBondContact O-N 3.5Å
232D93.7Very high95.3Very high86 Ų8660.5 Ų60.546%0.4630%0.299SS..Hα-helixtrans-58.4-29.3174.561.5-59.6000113.4S230 K236S230-D232 VanDerWaalsContact C-N 3.32Å; S230-D232 WeakPolarHBondContact CB-OD1 3.32Å; S230-D232 PolarHBondContact O-N 2.9Å; S230-D232 PolarHBondContact OG-OD1 3.44Å; D232-K236 WeakPolarHBondContact O-CG 3.36Å
233V96.1Very high95.3Very high0 Ų062 Ų620%031%0.31CS..Hα-helixtrans-81.4-42.3174.1175.30000110.8L229 S230 Q231 D235 K236 M265 A268 Y269L229-V233 HydrophobicContact CD1-CB 4.02Å; L229-V233 HydrophobicContact CD1-CG1 3.64Å; L229-V233 HydrophobicContact CD2-CG1 4.4Å; L229-V233 HydrophobicContact CG-CB 4.35Å; L229-V233 HydrophobicContact CG-CG1 4.18Å; S230-V233 PolarHBondContact O-N 3.27Å; S230-V233 VanDerWaalsContact O-N 3.14Å; S230-V233 WeakPolarHBondContact OG-CG2 3.46Å; Q231-V233 PolarHBondContact O-N 2.89Å; V233-D235 VanDerWaalsContact C-N 3.29Å; V233-D235 PolarHBondContact O-N 2.99Å; V233-K236 PolarHBondContact O-N 3.32Å; V233-K236 VanDerWaalsContact O-N 3.15Å; V233-M265 HydrophobicContact CG1-CG 4.22Å; V233-A268 HydrophobicContact CB-CB 4.21Å; V233-A268 HydrophobicContact CG1-CB 3.84Å; V233-A268 HydrophobicContact CG2-CB 4.1Å; V233-Y269 HydrophobicContact CG1-CE2 4.31Å; V233-Y269 HydrophobicContact CG2-CD1 3.83Å; V233-Y269 HydrophobicContact CG2-CE1 3.6Å; V233-Y269 HydrophobicContact CG2-CE2 4.33Å; V233-Y269 HydrophobicContact CG2-CG 4.29Å
234K96.2Very high95.3Very high47 Ų4761 Ų6120%0.20430%0.304CS..Hα-helixtrans-57.6-43.4177.3-70.6175.4179.6159.40112.2A226 L229 S230 Q231 K236 I237A226-K234 WeakPolarHBondContact O-CE 3.4Å; A226-K234 PolarHBondContact O-NZ 2.99Å; L229-K234 HydrophobicContact CB-CG 4.43Å; L229-K234 HydrophobicContact CD2-CG 3.82Å; L229-K234 HydrophobicContact CG-CG 3.96Å; L229-K234 WeakPolarHBondContact O-CE 3.49Å; L229-K234 PolarHBondContact O-NZ 2.89Å; S230-K234 PolarHBondContact O-N 3.43Å; S230-K234 VanDerWaalsContact O-N 3.11Å; Q231-K234 WeakPolarHBondContact O-CB 3.27Å; Q231-K234 PolarHBondContact O-N 3.23Å; Q231-K234 VanDerWaalsContact O-N 3.08Å; K234-K236 PolarHBondContact O-N 2.9Å; K234-I237 PolarHBondContact O-N 3.46Å; K234-I237 VanDerWaalsContact O-N 3.12Å
235D96.4Very high95.3Very high116 Ų11660.3 Ų60.362%0.6230%0.301SS*.THydrogen-bonded Turntrans-67-17.6-177.4-63.4-18.3000112.7Q231 V233Q231-D235 PolarHBondContact NE2-OD1 3.05Å; Q231-D235 PolarHBondContact O-N 3.5Å; V233-D235 VanDerWaalsContact C-N 3.29Å; V233-D235 PolarHBondContact O-N 2.99Å
236K96.6Very high95.5Very high93 Ų9354.6 Ų54.640%0.40428%0.284SS..THydrogen-bonded Turntrans-93.8-5177.2-70.9-179.2178.5-177.20113.8D232 V233 K234 A268 N271D232-K236 WeakPolarHBondContact O-CG 3.36Å; V233-K236 PolarHBondContact O-N 3.32Å; V233-K236 VanDerWaalsContact O-N 3.15Å; K234-K236 PolarHBondContact O-N 2.9Å; K236-A268 HydrophobicContact CB-CB 3.83Å; K236-A268 HydrophobicContact CD-CB 3.65Å; K236-A268 HydrophobicContact CG-CB 4.38Å; K236-N271 PolarHBondContact NZ-OD1 3.28Å; K236-N271 VanDerWaalsContact NZ-OD1 3.13Å
237I96.8Very high95.6Very high21 Ų2159.6 Ų59.611%0.10831%0.309CS..SBendtrans-84.3122.6175.2-60.3172000108.5I224 L229 K234 A241 E264 M265I224-I237 HydrophobicContact CB-CD1 3.85Å; I224-I237 HydrophobicContact CG2-CD1 3.62Å; L229-I237 HydrophobicContact CD2-CD1 4.16Å; K234-I237 PolarHBondContact O-N 3.46Å; K234-I237 VanDerWaalsContact O-N 3.12Å; I237-A241 HydrophobicContact CG2-CB 4.26Å; I237-E264 VanDerWaalsContact CA-OE2 3.32Å; I237-E264 WeakPolarHBondContact CA-OE2 3.39Å; I237-M265 HydrophobicContact CD1-CG 3.88Å; I237-M265 HydrophobicContact CG1-CG 4.4Å
238S96.6Very high95.9Very high35 Ų3554.4 Ų54.425%0.24528%0.284CS..  trans-67.3157.1-17672.10000112.3H240 A241 S242 E264S238-H240 PolarHBondContact O-N 3.21Å; S238-A241 PolarHBondContact O-N 3.11Å; S238-A241 WeakPolarHBondContact OG-CB 3.42Å; S238-A241 PolarHBondContact OG-N 3.3Å; S238-A241 VanDerWaalsContact OG-N 3.08Å; S238-S242 WeakPolarHBondContact O-CB 3.48Å; S238-S242 PolarHBondContact O-N 2.87Å; S238-S242 PolarHBondContact O-OG 3.26Å; S238-E264 VanDerWaalsContact CB-OE1 3.28Å; S238-E264 WeakPolarHBondContact CB-OE1 3.43Å; S238-E264 PolarHBondContact N-OE2 2.84Å; S238-E264 PolarHBondContact OG-OE1 3.5Å; S238-E264 PolarHBondContact OG-OE2 2.91Å
239S96.1Very high96.3Very high103 Ų10348.1 Ų48.172%0.7226%0.259SS*.Hα-helixtrans-61.1-32.8171.154.80000112S242 S243S239-S242 WeakPolarHBondContact CA-OG 3.25Å; S239-S242 PolarHBondContact O-OG 3.33Å; S239-S243 VanDerWaalsContact O-CB 3.24Å; S239-S243 WeakPolarHBondContact O-CB 2.93Å; S239-S243 PolarHBondContact O-N 2.96Å; S239-S243 PolarHBondContact O-OG 3.37Å
240H95.8Very high96.5Very high11 Ų1150.4 Ų50.45%0.05128%0.275CS..Hα-helixtrans-60.9-61.4175.4179.583.6000110.3S37 S238 S242 S243 F244S37-H240 PolarHBondContact O-NE2 3.15Å; S238-H240 PolarHBondContact O-N 3.21Å; H240-S242 PolarHBondContact O-N 3.41Å; H240-S243 PolarHBondContact O-N 2.85Å; H240-S243 PolarHBondContact O-OG 3.01Å; H240-F244 AromaticContact CE1-CE2 3.58Å; H240-F244 AromaticContact NE2-CE2 3.82Å; H240-F244 WeakPolarHBondContact O-CD2 3.46Å; H240-F244 PolarHBondContact O-N 2.76Å
241A97Very high96.7Very high1 Ų154.9 Ų54.91%0.00829%0.289CS..Hα-helixtrans-60.3-45.3-178.500000112.2I237 S238 S243 F244 V245 P260 A261 E264I237-A241 HydrophobicContact CG2-CB 4.26Å; S238-A241 PolarHBondContact O-N 3.11Å; S238-A241 WeakPolarHBondContact OG-CB 3.42Å; S238-A241 PolarHBondContact OG-N 3.3Å; S238-A241 VanDerWaalsContact OG-N 3.08Å; A241-S243 VanDerWaalsContact C-N 3.32Å; A241-S243 PolarHBondContact O-N 3.22Å; A241-F244 PolarHBondContact O-N 3.16Å; A241-V245 WeakPolarHBondContact O-CG2 3.44Å; A241-V245 PolarHBondContact O-N 3.23Å; A241-P260 HydrophobicContact CB-CB 3.88Å; A241-A261 HydrophobicContact CB-CB 4.17Å; A241-E264 VanDerWaalsContact CB-OE2 3.26Å; A241-E264 WeakPolarHBondContact CB-OE2 3.49Å
242S97.2Very high96.7Very high27 Ų2758.2 Ų58.219%0.18931%0.305CS..Hα-helixtrans-64.7-33.7179.758.90000113S238 S239 H240 F244 V245 L246S238-S242 WeakPolarHBondContact O-CB 3.48Å; S238-S242 PolarHBondContact O-N 2.87Å; S238-S242 PolarHBondContact O-OG 3.26Å; S239-S242 WeakPolarHBondContact CA-OG 3.25Å; S239-S242 PolarHBondContact O-OG 3.33Å; H240-S242 PolarHBondContact O-N 3.41Å; S242-F244 PolarHBondContact O-N 3.05Å; S242-V245 PolarHBondContact O-N 2.91Å; S242-L246 VanDerWaalsContact O-CB 3.28Å; S242-L246 WeakPolarHBondContact O-CB 3.29Å; S242-L246 WeakPolarHBondContact O-CD1 3.32Å; S242-L246 WeakPolarHBondContact O-CG 3.35Å; S242-L246 PolarHBondContact O-N 3.26Å
243S97.9Very high96.8Very high32 Ų3256.8 Ų56.822%0.22429%0.293CS..Hα-helixtrans-61.7-42.417772.90000112.4S239 H240 A241 N247S239-S243 VanDerWaalsContact O-CB 3.24Å; S239-S243 WeakPolarHBondContact O-CB 2.93Å; S239-S243 PolarHBondContact O-N 2.96Å; S239-S243 PolarHBondContact O-OG 3.37Å; H240-S243 PolarHBondContact O-N 2.85Å; H240-S243 PolarHBondContact O-OG 3.01Å; A241-S243 VanDerWaalsContact C-N 3.32Å; A241-S243 PolarHBondContact O-N 3.22Å; S243-N247 VanDerWaalsContact O-CB 3.22Å; S243-N247 WeakPolarHBondContact O-CB 3.3Å; S243-N247 PolarHBondContact O-N 2.86Å; S243-N247 PolarHBondContact O-ND2 3.42Å
244F98Very high97Very high3 Ų356.8 Ų56.81%0.01329%0.293CS..Hα-helixtrans-67-45.5178.1-76.9-81.6000111.8L3 R33 E36 H240 A241 S242 L246 Y248 C257L3-F244 HydrophobicContact CD1-CZ 4.24Å; L3-F244 HydrophobicContact CD2-CE2 4.38Å; L3-F244 HydrophobicContact CD2-CZ 4.44Å; R33-F244 HydrophobicContact CB-CD1 4.47Å; R33-F244 HydrophobicContact CB-CE1 4.39Å; R33-F244 WeakPolarHBondContact O-CE1 3.4Å; E36-F244 HydrophobicContact CB-CE1 4.03Å; E36-F244 HydrophobicContact CB-CZ 3.8Å; H240-F244 AromaticContact CE1-CE2 3.58Å; H240-F244 AromaticContact NE2-CE2 3.82Å; H240-F244 WeakPolarHBondContact O-CD2 3.46Å; H240-F244 PolarHBondContact O-N 2.76Å; A241-F244 PolarHBondContact O-N 3.16Å; S242-F244 PolarHBondContact O-N 3.05Å; F244-L246 VanDerWaalsContact C-N 3.34Å; F244-L246 PolarHBondContact O-N 2.91Å; F244-Y248 AromaticContact CD1-CD2 3.92Å; F244-Y248 HydrophobicContact CD1-CD2 3.92Å; F244-Y248 AromaticContact CD1-CE2 4Å; F244-Y248 HydrophobicContact CD1-CE2 4Å; F244-Y248 HydrophobicContact CE1-CE2 4.38Å; F244-Y248 WeakPolarHBondContact O-CB 3.48Å; F244-Y248 PolarHBondContact O-N 3.16Å; F244-C257 HydrophobicContact CB-CB 4.21Å; F244-C257 WeakPolarHBondContact CB-O 3.45Å; F244-C257 HydrophobicContact CD1-CB 3.79Å; F244-C257 HydrophobicContact CG-CB 4.25Å
245V98.2Very high97.1Very high0 Ų054.7 Ų54.70%028%0.284CS..Hα-helixtrans-61.2-43.2178.5175.30000111.4Y221 P222 I224 A241 S242 C249 A261Y221-V245 HydrophobicContact CE2-CG1 3.72Å; P222-V245 HydrophobicContact CG-CG2 4.24Å; P222-V245 WeakPolarHBondContact O-CG1 3.49Å; I224-V245 HydrophobicContact CD1-CB 4.14Å; I224-V245 HydrophobicContact CD1-CG1 4.12Å; I224-V245 HydrophobicContact CG1-CG1 4.15Å; I224-V245 HydrophobicContact CG2-CG1 4.38Å; A241-V245 WeakPolarHBondContact O-CG2 3.44Å; A241-V245 PolarHBondContact O-N 3.23Å; S242-V245 PolarHBondContact O-N 2.91Å; V245-C249 WeakPolarHBondContact O-CB 3.48Å; V245-C249 PolarHBondContact O-N 3.37Å; V245-C249 VanDerWaalsContact O-O 3.07Å; V245-A261 HydrophobicContact CG2-CB 3.58Å
246L98Very high97.2Very high59 Ų5949.2 Ų49.231%0.30926%0.255SS..Hα-helixtrans-78.9-29.1-174.2-66.1172.1000113.7I224 R225 S242 F244I224-L246 HydrophobicContact CD1-CD1 4.35Å; I224-L246 HydrophobicContact CD1-CD2 4.27Å; I224-L246 HydrophobicContact CD1-CG 4.06Å; I224-L246 HydrophobicContact CG1-CD2 4.3Å; R225-L246 HydrophobicContact CG-CD2 4.11Å; R225-L246 VanDerWaalsContact NE-CD2 3.33Å; S242-L246 VanDerWaalsContact O-CB 3.28Å; S242-L246 WeakPolarHBondContact O-CB 3.29Å; S242-L246 WeakPolarHBondContact O-CD1 3.32Å; S242-L246 WeakPolarHBondContact O-CG 3.35Å; S242-L246 PolarHBondContact O-N 3.26Å; F244-L246 VanDerWaalsContact C-N 3.34Å; F244-L246 PolarHBondContact O-N 2.91Å
247N98.2Very high97.3Very high112 Ų11244.8 Ų44.860%0.59924%0.235SC*.Hα-helixtrans-90.4-27.4-177.9-66.5-28000113S243S243-N247 VanDerWaalsContact O-CB 3.22Å; S243-N247 WeakPolarHBondContact O-CB 3.3Å; S243-N247 PolarHBondContact O-N 2.86Å; S243-N247 PolarHBondContact O-ND2 3.42Å
248Y97.8Very high97.3Very high102 Ų10243.8 Ų43.840%0.423%0.23SC..Hα-helixtrans-129.5-13.3-167.9-53.1-65.5000115.4R33 F244R33-Y248 VanDerWaalsContact CD-CD2 3.42Å; R33-Y248 VanDerWaalsContact CD-CE1 3.49Å; R33-Y248 HydrophobicContact CG-CD2 4.39Å; R33-Y248 HydrophobicContact CG-CE2 4.33Å; F244-Y248 AromaticContact CD1-CD2 3.92Å; F244-Y248 HydrophobicContact CD1-CD2 3.92Å; F244-Y248 AromaticContact CD1-CE2 4Å; F244-Y248 HydrophobicContact CD1-CE2 4Å; F244-Y248 HydrophobicContact CE1-CE2 4.38Å; F244-Y248 WeakPolarHBondContact O-CB 3.48Å; F244-Y248 PolarHBondContact O-N 3.16Å
249C98.1Very high97.4Very high11 Ų1142.1 Ų42.17%0.07422%0.219CC..  trans-114.3147.2-177.3-57.20000111.4Y221 V245Y221-C249 HydrophobicContact CD2-CB 3.8Å; Y221-C249 HydrophobicContact CE2-CB 3.57Å; V245-C249 WeakPolarHBondContact O-CB 3.48Å; V245-C249 PolarHBondContact O-N 3.37Å; V245-C249 VanDerWaalsContact O-O 3.07Å
250S96.8Very high97.6Very high49 Ų4937.2 Ų37.234%0.34318%0.184SC..BIsolated β-bridgetrans-146.6172.5176.773.50000111.2Y221 Q252 R253 N254Y221-S250 WeakPolarHBondContact CB-O 3.31Å; Y221-S250 WeakPolarHBondContact CD2-O 3.27Å; S250-Q252 PolarHBondContact O-N 3.3Å; S250-Q252 PolarHBondContact OG-N 3.03Å; S250-R253 PolarHBondContact N-O 3.31Å; S250-R253 CarbonylContact O-C 3.55Å; S250-R253 PolarHBondContact O-N 2.87Å; S250-R253 VanDerWaalsContact O-N 3.16Å; S250-R253 PolarHBondContact OG-N 3.45Å; S250-N254 PolarHBondContact O-N 3.25Å
251F94.7Very high97.7Very high132 Ų13236.7 Ų36.758%0.57918%0.182SC*.THydrogen-bonded Turntrans-59.2-27.8171.9-82.3-80.9000114.5W189 Y221 N223W189-F251 HydrophobicContact CH2-CE1 4.03Å; W189-F251 AromaticContact CH2-CZ 3.98Å; W189-F251 HydrophobicContact CH2-CZ 3.98Å; W189-F251 AromaticContact CZ2-CE1 3.59Å; W189-F251 HydrophobicContact CZ2-CE1 3.59Å; W189-F251 AromaticContact CZ2-CZ 3.83Å; W189-F251 HydrophobicContact CZ2-CZ 3.83Å; Y221-F251 AromaticContact CD1-CD1 4Å; Y221-F251 HydrophobicContact CD1-CD1 4Å; Y221-F251 AromaticContact CD1-CD2 3.91Å; Y221-F251 HydrophobicContact CD1-CD2 3.91Å; Y221-F251 HydrophobicContact CD1-CE1 4.2Å; Y221-F251 HydrophobicContact CD1-CE2 4.09Å; Y221-F251 AromaticContact CD1-CG 3.88Å; Y221-F251 HydrophobicContact CD1-CG 3.88Å; Y221-F251 HydrophobicContact CD1-CZ 4.25Å; Y221-F251 AromaticContact CE1-CD2 3.92Å; Y221-F251 HydrophobicContact CE1-CD2 3.92Å; Y221-F251 AromaticContact CE1-CE2 3.95Å; Y221-F251 HydrophobicContact CE1-CE2 3.95Å; Y221-F251 HydrophobicContact CE1-CG 4.36Å; Y221-F251 HydrophobicContact CE1-CZ 4.43Å; N223-F251 HydrophobicContact CB-CE2 4.31Å; N223-F251 HydrophobicContact CB-CZ 3.93Å; N223-F251 WeakPolarHBondContact ND2-CE2 3.39Å; N223-F251 WeakPolarHBondContact ND2-CZ 3.32Å
252Q94.7Very high97.8Very high183 Ų18336.6 Ų36.686%0.85518%0.181SC*.THydrogen-bonded Turntrans-86.2-22.1-180-67.4179-9.500112S250S250-Q252 PolarHBondContact O-N 3.3Å; S250-Q252 PolarHBondContact OG-N 3.03Å
253R96.5Very high97.8Very high55 Ų5535.3 Ų35.321%0.20817%0.172CC..BIsolated β-bridgetrans-158.499.1-175.3-178.9175.7163.7163.2-6.7109.8A21 F22 D26 P218 S250 E255A21-R253 PolarHBondContact O-NH1 3.16Å; F22-R253 HydrophobicContact CE1-CG 4.37Å; D26-R253 IonicContact OD2-CZ 2.83Å; D26-R253 IonicContact OD2-NH1 3Å; D26-R253 PolarHBondContact OD2-NH1 2.97Å; D26-R253 IonicContact OD2-NH2 3.44Å; D26-R253 PolarHBondContact OD2-NH2 3.38Å; P218-R253 HydrophobicContact CB-CG 4.42Å; S250-R253 PolarHBondContact N-O 3.31Å; S250-R253 CarbonylContact O-C 3.55Å; S250-R253 PolarHBondContact O-N 2.87Å; S250-R253 VanDerWaalsContact O-N 3.16Å; S250-R253 PolarHBondContact OG-N 3.45Å; R253-E255 HydrophobicContact CG-CG 4.43Å; R253-E255 IonicContact CZ-OE1 3.1Å; R253-E255 IonicContact NE-OE1 2.95Å; R253-E255 PolarHBondContact NE-OE1 3.49Å; R253-E255 VanDerWaalsContact NE-OE1 3.1Å; R253-E255 IonicContact NH2-OE1 3.93Å; R253-E255 PolarHBondContact NH2-OE1 3.2Å
254N98.5Very high97.8Very high0 Ų033.9 Ų33.90%016%0.162CC..  trans-77.2159.4161.6-16630.7000110.4F22 T215 P218 Y219 P222 S250 S258F22-N254 WeakPolarHBondContact CZ-O 3.46Å; T215-N254 PolarHBondContact O-ND2 3.23Å; P218-N254 WeakPolarHBondContact CA-O 3.35Å; P218-N254 PolarHBondContact O-N 3.27Å; Y219-N254 WeakPolarHBondContact O-CB 3.48Å; Y219-N254 PolarHBondContact O-ND2 3.1Å; P222-N254 WeakPolarHBondContact CD-OD1 3.33Å; S250-N254 PolarHBondContact O-N 3.25Å; N254-S258 PolarHBondContact ND2-OG 3.3Å; N254-S258 VanDerWaalsContact ND2-OG 3.15Å; N254-S258 WeakPolarHBondContact OD1-CB 3.3Å; N254-S258 PolarHBondContact OD1-OG 3.47Å
255E98.6Very high97.9Very high4 Ų433.8 Ų33.82%0.01916%0.162CC..  trans-134.6159176.1-59.3-162.9157.500110.9F22 V30 R33 R253 C257 S258F22-E255 HydrophobicContact CE1-CG 4.24Å; V30-E255 HydrophobicContact CG1-CB 4.45Å; V30-E255 WeakPolarHBondContact CG2-OE1 3.33Å; R33-E255 IonicContact CZ-OE1 2.61Å; R33-E255 IonicContact CZ-OE2 3.99Å; R33-E255 IonicContact NE-OE2 2.72Å; R33-E255 PolarHBondContact NE-OE2 3.04Å; R33-E255 IonicContact NH2-OE1 3.18Å; R33-E255 PolarHBondContact NH2-OE1 3.4Å; R33-E255 IonicContact NH2-OE2 2.88Å; R33-E255 PolarHBondContact NH2-OE2 2.93Å; R253-E255 HydrophobicContact CG-CG 4.43Å; R253-E255 IonicContact CZ-OE1 3.1Å; R253-E255 IonicContact NE-OE1 2.95Å; R253-E255 PolarHBondContact NE-OE1 3.49Å; R253-E255 VanDerWaalsContact NE-OE1 3.1Å; R253-E255 IonicContact NH2-OE1 3.93Å; R253-E255 PolarHBondContact NH2-OE1 3.2Å; E255-C257 PolarHBondContact O-N 2.91Å; E255-S258 VanDerWaalsContact O-CB 3.32Å; E255-S258 WeakPolarHBondContact O-CB 3.43Å; E255-S258 PolarHBondContact O-N 3.48Å; E255-S258 PolarHBondContact O-OG 2.8Å
256P98.7Very high97.9Very high0 Ų033.8 Ų33.80%016%0.162CC..G310 helixtrans-54.3-28176.7-28.236.2000113.7A15 L17 A34 V39 I42 A217 S258 L259A15-P256 HydrophobicContact CB-CG 4.36Å; L17-P256 HydrophobicContact CD2-CG 4Å; A34-P256 HydrophobicContact CB-CB 3.82Å; V39-P256 WeakPolarHBondContact CG2-O 3.34Å; I42-P256 HydrophobicContact CD1-CB 3.72Å; I42-P256 HydrophobicContact CD1-CG 3.9Å; I42-P256 HydrophobicContact CG1-CB 4.47Å; A217-P256 HydrophobicContact CB-CG 4.46Å; P256-S258 PolarHBondContact O-N 2.88Å; P256-L259 WeakPolarHBondContact O-CB 3.49Å; P256-L259 PolarHBondContact O-N 3.26Å
257C98.2Very high97.9Very high0 Ų031 Ų310%015%0.148CC..G310 helixtrans-63.9-8.3176.7700000114.9R33 S37 F244 E255 P260R33-C257 HydrophobicContact CB-CB 3.97Å; R33-C257 WeakPolarHBondContact O-CB 3.4Å; S37-C257 WeakPolarHBondContact OG-CA 3.29Å; F244-C257 HydrophobicContact CB-CB 4.21Å; F244-C257 WeakPolarHBondContact CB-O 3.45Å; F244-C257 HydrophobicContact CD1-CB 3.79Å; F244-C257 HydrophobicContact CG-CB 4.25Å; E255-C257 PolarHBondContact O-N 2.91Å; C257-P260 WeakPolarHBondContact O-CD 3.31Å
258S98.6Very high97.9Very high0 Ų026 Ų260%012%0.122CC..G310 helixtrans-80-13.2172.768.60000114.4T215 N254 E255 P256 P260 A261 I262T215-S258 WeakPolarHBondContact CG2-OG 3.46Å; N254-S258 PolarHBondContact ND2-OG 3.3Å; N254-S258 VanDerWaalsContact ND2-OG 3.15Å; N254-S258 WeakPolarHBondContact OD1-CB 3.3Å; N254-S258 PolarHBondContact OD1-OG 3.47Å; E255-S258 VanDerWaalsContact O-CB 3.32Å; E255-S258 WeakPolarHBondContact O-CB 3.43Å; E255-S258 PolarHBondContact O-N 3.48Å; E255-S258 PolarHBondContact O-OG 2.8Å; P256-S258 PolarHBondContact O-N 2.88Å; S258-P260 VanDerWaalsContact C-CD 3.45Å; S258-A261 WeakPolarHBondContact O-CB 3.49Å; S258-A261 PolarHBondContact O-N 3.14Å; S258-I262 PolarHBondContact O-N 3.45Å
259L98.8Very high97.9Very high0 Ų021.6 Ų21.60%010%0.104CC..Hα-helixtrans-55.7-39.6-173.7-165.167.3000114.5L10 D12 V39 V213 T215 P256 A261 I262 V263L10-L259 HydrophobicContact CB-CD2 3.77Å; L10-L259 HydrophobicContact CD1-CB 4.37Å; L10-L259 HydrophobicContact CD1-CD2 4.22Å; L10-L259 HydrophobicContact CD1-CG 4.18Å; D12-L259 HydrophobicContact CB-CD2 3.85Å; V39-L259 HydrophobicContact CG1-CD2 4.46Å; V39-L259 HydrophobicContact CG2-CB 3.87Å; V39-L259 HydrophobicContact CG2-CD2 4Å; V213-L259 HydrophobicContact CB-CD1 3.81Å; V213-L259 HydrophobicContact CG2-CD1 3.86Å; V213-L259 HydrophobicContact CG2-CD2 4.12Å; V213-L259 HydrophobicContact CG2-CG 4.12Å; T215-L259 HydrophobicContact CG2-CB 3.75Å; T215-L259 HydrophobicContact CG2-CD1 3.83Å; T215-L259 HydrophobicContact CG2-CG 4.38Å; P256-L259 WeakPolarHBondContact O-CB 3.49Å; P256-L259 PolarHBondContact O-N 3.26Å; L259-A261 PolarHBondContact O-N 3.01Å; L259-I262 HydrophobicContact CD1-CD1 4.22Å; L259-I262 WeakPolarHBondContact O-CB 3.5Å; L259-I262 PolarHBondContact O-N 2.81Å; L259-V263 PolarHBondContact O-N 3.24Å
260P98.5Very high97.8Very high0 Ų021.5 Ų21.50%010%0.104CC..Hα-helixtrans-56.3-36.7174.6-25.734.9000113.3L10 S37 A241 C257 S258 I262 V263 E264L10-P260 HydrophobicContact CD1-CB 4.27Å; L10-P260 HydrophobicContact CD1-CG 3.86Å; S37-P260 VanDerWaalsContact O-CG 3.29Å; S37-P260 WeakPolarHBondContact O-CG 3.29Å; A241-P260 HydrophobicContact CB-CB 3.88Å; C257-P260 WeakPolarHBondContact O-CD 3.31Å; S258-P260 VanDerWaalsContact C-CD 3.45Å; P260-I262 VanDerWaalsContact C-N 3.32Å; P260-I262 PolarHBondContact O-N 3.4Å; P260-V263 PolarHBondContact O-N 2.91Å; P260-E264 WeakPolarHBondContact O-CB 3.36Å; P260-E264 WeakPolarHBondContact O-CG 3.41Å; P260-E264 PolarHBondContact O-N 3.46Å
261A98.2Very high97.8Very high0 Ų024.4 Ų24.40%012%0.115CC..Hα-helixtrans-68-33.8177.700000111.8I224 A241 V245 S258 L259 M265I224-A261 HydrophobicContact CG2-CB 4.23Å; A241-A261 HydrophobicContact CB-CB 4.17Å; V245-A261 HydrophobicContact CG2-CB 3.58Å; S258-A261 WeakPolarHBondContact O-CB 3.49Å; S258-A261 PolarHBondContact O-N 3.14Å; L259-A261 PolarHBondContact O-N 3.01Å; A261-M265 WeakPolarHBondContact O-CB 3.31Å; A261-M265 WeakPolarHBondContact O-CG 3.36Å; A261-M265 PolarHBondContact O-N 3.18Å
262I98.7Very high97.9Very high0 Ų019.4 Ų19.40%010%0.096CC..Hα-helixtrans-65.8-46.8175.2-59.5172.3000109.8G186 L188 E214 T215 P222 S258 L259 P260 E264 M265 I266G186-I262 VanDerWaalsContact N-CD1 3.34Å; L188-I262 HydrophobicContact CD1-CG2 4.43Å; E214-I262 WeakPolarHBondContact O-CD1 3.26Å; T215-I262 HydrophobicContact CG2-CD1 4.13Å; P222-I262 HydrophobicContact CB-CG1 4.24Å; P222-I262 HydrophobicContact CG-CG1 4.26Å; S258-I262 PolarHBondContact O-N 3.45Å; L259-I262 HydrophobicContact CD1-CD1 4.22Å; L259-I262 WeakPolarHBondContact O-CB 3.5Å; L259-I262 PolarHBondContact O-N 2.81Å; P260-I262 VanDerWaalsContact C-N 3.32Å; P260-I262 PolarHBondContact O-N 3.4Å; I262-E264 PolarHBondContact O-N 2.97Å; I262-M265 PolarHBondContact O-N 2.61Å; I262-I266 HydrophobicContact CG2-CD1 4.14Å; I262-I266 WeakPolarHBondContact O-CG1 3.47Å; I262-I266 PolarHBondContact O-N 3.05Å
263V98.7Very high98Very high0 Ų013.1 Ų13.10%07%0.072CC..Hα-helixtrans-57.3-47.9175.4170.10000111.3L10 V213 L259 P260 M265 I266 A267 V277 A278L10-V263 HydrophobicContact CD1-CG2 4.08Å; L10-V263 HydrophobicContact CD2-CG2 3.87Å; V213-V263 HydrophobicContact CB-CG2 4.45Å; V213-V263 HydrophobicContact CG1-CG2 4.06Å; V213-V263 HydrophobicContact CG2-CG2 4.1Å; L259-V263 PolarHBondContact O-N 3.24Å; P260-V263 PolarHBondContact O-N 2.91Å; V263-M265 VanDerWaalsContact C-N 3.34Å; V263-M265 PolarHBondContact O-N 3.29Å; V263-I266 WeakPolarHBondContact O-CB 3.47Å; V263-I266 PolarHBondContact O-N 3.07Å; V263-A267 WeakPolarHBondContact O-CB 3.17Å; V263-A267 PolarHBondContact O-N 3.43Å; V263-V277 HydrophobicContact CG1-CB 3.99Å; V263-V277 HydrophobicContact CG1-CG1 3.91Å; V263-A278 HydrophobicContact CG1-CB 4.05Å
264E98.3Very high98Very high2 Ų212 Ų121%0.0097%0.072CC..Hα-helixtrans-67.3-34.3-180-71.9175.3-17600112.4Y8 I237 S238 A241 P260 I262 A267 A268 P274Y8-E264 HydrophobicContact CE2-CG 4.44Å; I237-E264 VanDerWaalsContact CA-OE2 3.32Å; I237-E264 WeakPolarHBondContact CA-OE2 3.39Å; S238-E264 VanDerWaalsContact CB-OE1 3.28Å; S238-E264 WeakPolarHBondContact CB-OE1 3.43Å; S238-E264 PolarHBondContact N-OE2 2.84Å; S238-E264 PolarHBondContact OG-OE1 3.5Å; S238-E264 PolarHBondContact OG-OE2 2.91Å; A241-E264 VanDerWaalsContact CB-OE2 3.26Å; A241-E264 WeakPolarHBondContact CB-OE2 3.49Å; P260-E264 WeakPolarHBondContact O-CB 3.36Å; P260-E264 WeakPolarHBondContact O-CG 3.41Å; P260-E264 PolarHBondContact O-N 3.46Å; I262-E264 PolarHBondContact O-N 2.97Å; E264-A267 PolarHBondContact O-N 3.11Å; E264-A268 VanDerWaalsContact O-CB 3.22Å; E264-A268 WeakPolarHBondContact O-CB 3.28Å; E264-A268 PolarHBondContact O-N 2.69Å; E264-P274 HydrophobicContact CG-CB 4.04Å; E264-P274 HydrophobicContact CG-CG 4.17Å
265M98.3Very high97.9Very high0 Ų016.4 Ų16.40%010%0.095CC..Hα-helixtrans-64.5-43.1171.3-75.6174.371.300112L188 W189 P222 L229 V233 I237 A261 I262 V263 A267 A268 Y269L188-M265 HydrophobicContact CB-CE 3.57Å; L188-M265 HydrophobicContact CD1-CB 4.13Å; W189-M265 HydrophobicContact CB-CE 3.7Å; W189-M265 VanDerWaalsContact N-CE 3.33Å; P222-M265 HydrophobicContact CB-SD 4.2Å; L229-M265 HydrophobicContact CD1-CE 3.85Å; L229-M265 HydrophobicContact CD2-CE 4.43Å; V233-M265 HydrophobicContact CG1-CG 4.22Å; I237-M265 HydrophobicContact CD1-CG 3.88Å; I237-M265 HydrophobicContact CG1-CG 4.4Å; A261-M265 WeakPolarHBondContact O-CB 3.31Å; A261-M265 WeakPolarHBondContact O-CG 3.36Å; A261-M265 PolarHBondContact O-N 3.18Å; I262-M265 PolarHBondContact O-N 2.61Å; V263-M265 VanDerWaalsContact C-N 3.34Å; V263-M265 PolarHBondContact O-N 3.29Å; M265-A267 VanDerWaalsContact C-N 3.34Å; M265-A268 PolarHBondContact O-N 3.36Å; M265-Y269 HydrophobicContact CE-CE2 4.48Å; M265-Y269 WeakPolarHBondContact O-CD2 3.45Å; M265-Y269 PolarHBondContact O-N 3.04Å
266I98.5Very high97.8Very high0 Ų020 Ų200%011%0.112CC..Hα-helixtrans-60.3-47.1175.3-67.8166.4000110.2L184 L188 L201 V213 I262 V263 A268 Y269 S270 V277L184-I266 HydrophobicContact CB-CD1 3.95Å; L184-I266 HydrophobicContact CD1-CD1 4Å; L184-I266 HydrophobicContact CD1-CG1 4.14Å; L188-I266 HydrophobicContact CD1-CD1 4.31Å; L188-I266 HydrophobicContact CD1-CG1 3.46Å; L188-I266 VanDerWaalsContact CD1-CG1 3.46Å; L201-I266 HydrophobicContact CD1-CG1 4.42Å; L201-I266 HydrophobicContact CD2-CG2 4.01Å; V213-I266 HydrophobicContact CG1-CD1 3.55Å; I262-I266 HydrophobicContact CG2-CD1 4.14Å; I262-I266 WeakPolarHBondContact O-CG1 3.47Å; I262-I266 PolarHBondContact O-N 3.05Å; V263-I266 WeakPolarHBondContact O-CB 3.47Å; V263-I266 PolarHBondContact O-N 3.07Å; I266-A268 VanDerWaalsContact C-N 3.34Å; I266-A268 PolarHBondContact O-N 3.3Å; I266-Y269 PolarHBondContact O-N 2.79Å; I266-S270 VanDerWaalsContact O-CB 3.29Å; I266-S270 WeakPolarHBondContact O-CB 3.19Å; I266-S270 PolarHBondContact O-N 3.39Å; I266-S270 PolarHBondContact O-OG 3.04Å; I266-V277 HydrophobicContact CB-CG1 4.12Å; I266-V277 HydrophobicContact CG2-CG1 3.76Å; I266-V277 HydrophobicContact CG2-CG2 4.18Å
267A98.3Very high97.8Very high2 Ų220 Ų202%0.01711%0.112CC..Hα-helixtrans-61.1-43.6178.800000111.8V263 E264 M265 S270 N271 V272 P274 V277V263-A267 WeakPolarHBondContact O-CB 3.17Å; V263-A267 PolarHBondContact O-N 3.43Å; E264-A267 PolarHBondContact O-N 3.11Å; M265-A267 VanDerWaalsContact C-N 3.34Å; A267-S270 PolarHBondContact O-N 3.4Å; A267-N271 WeakPolarHBondContact O-CA 3.33Å; A267-N271 PolarHBondContact O-N 3.25Å; A267-V272 HydrophobicContact CB-CG2 4.32Å; A267-V272 PolarHBondContact O-N 2.97Å; A267-V272 VanDerWaalsContact O-N 3.09Å; A267-P274 HydrophobicContact CB-CB 4.19Å; A267-P274 HydrophobicContact CB-CG 3.88Å; A267-V277 HydrophobicContact CB-CG2 3.75Å
268A97.9Very high97.8Very high6 Ų620.2 Ų20.25%0.0511%0.113CC..Hα-helixtrans-61.7-49178.100000112.4V233 K236 E264 M265 I266 N271V233-A268 HydrophobicContact CB-CB 4.21Å; V233-A268 HydrophobicContact CG1-CB 3.84Å; V233-A268 HydrophobicContact CG2-CB 4.1Å; K236-A268 HydrophobicContact CB-CB 3.83Å; K236-A268 HydrophobicContact CD-CB 3.65Å; K236-A268 HydrophobicContact CG-CB 4.38Å; E264-A268 VanDerWaalsContact O-CB 3.22Å; E264-A268 WeakPolarHBondContact O-CB 3.28Å; E264-A268 PolarHBondContact O-N 2.69Å; M265-A268 PolarHBondContact O-N 3.36Å; I266-A268 VanDerWaalsContact C-N 3.34Å; I266-A268 PolarHBondContact O-N 3.3Å; A268-N271 PolarHBondContact O-N 3.22Å
269Y97.3Very high97.8Very high10 Ų1025 Ų254%0.03914%0.139CC..Hα-helixtrans-65.3-39177.3-78.2-59.1000112.7L188 K198 L201 K202 L229 V233 M265 I266 N271L188-Y269 HydrophobicContact CB-CE2 4.28Å; L188-Y269 PolarHBondContact O-OH 2.77Å; K198-Y269 HydrophobicContact CB-CE1 4.5Å; K198-Y269 HydrophobicContact CD-CE1 4.29Å; K198-Y269 VanDerWaalsContact CE-OH 3.23Å; K198-Y269 WeakPolarHBondContact CE-OH 3.5Å; K198-Y269 HydrophobicContact CG-CE1 4.01Å; K198-Y269 HydrophobicContact CG-CE2 4.14Å; L201-Y269 HydrophobicContact CD1-CD2 4.27Å; L201-Y269 HydrophobicContact CD1-CG 4.48Å; K202-Y269 VanDerWaalsContact CA-O 3.31Å; K202-Y269 WeakPolarHBondContact CA-O 3.45Å; K202-Y269 HydrophobicContact CG-CD1 4.25Å; L229-Y269 HydrophobicContact CD1-CE2 4.47Å; L229-Y269 VanDerWaalsContact CD1-OH 3.26Å; L229-Y269 WeakPolarHBondContact CD1-OH 3.29Å; V233-Y269 HydrophobicContact CG1-CE2 4.31Å; V233-Y269 HydrophobicContact CG2-CD1 3.83Å; V233-Y269 HydrophobicContact CG2-CE1 3.6Å; V233-Y269 HydrophobicContact CG2-CE2 4.33Å; V233-Y269 HydrophobicContact CG2-CG 4.29Å; M265-Y269 HydrophobicContact CE-CE2 4.48Å; M265-Y269 WeakPolarHBondContact O-CD2 3.45Å; M265-Y269 PolarHBondContact O-N 3.04Å; I266-Y269 PolarHBondContact O-N 2.79Å; Y269-N271 VanDerWaalsContact C-N 3.26Å; Y269-N271 PolarHBondContact O-N 3.31Å
270S97.1Very high97.7Very high8 Ų830.1 Ų30.16%0.05616%0.158CC..Hα-helixtrans-81.9-7.1-177.9-48.90000113.5L201 R204 I266 A267 V272L201-S270 WeakPolarHBondContact CD2-OG 3.22Å; L201-S270 WeakPolarHBondContact O-CA 3.46Å; R204-S270 VanDerWaalsContact CZ-O 3.23Å; R204-S270 PolarHBondContact NH2-O 3.29Å; I266-S270 VanDerWaalsContact O-CB 3.29Å; I266-S270 WeakPolarHBondContact O-CB 3.19Å; I266-S270 PolarHBondContact O-N 3.39Å; I266-S270 PolarHBondContact O-OG 3.04Å; A267-S270 PolarHBondContact O-N 3.4Å; S270-V272 PolarHBondContact O-N 3.03Å
271N96Very high97.7Very high111 Ų11130.2 Ų30.259%0.59416%0.159SC*.THydrogen-bonded Turntrans50.552.6-172.8-160.946.2000112.5R204 K236 A267 A268 Y269R204-N271 PolarHBondContact NH2-O 3.11Å; K236-N271 PolarHBondContact NZ-OD1 3.28Å; K236-N271 VanDerWaalsContact NZ-OD1 3.13Å; A267-N271 WeakPolarHBondContact O-CA 3.33Å; A267-N271 PolarHBondContact O-N 3.25Å; A268-N271 PolarHBondContact O-N 3.22Å; Y269-N271 VanDerWaalsContact C-N 3.26Å; Y269-N271 PolarHBondContact O-N 3.31Å
272V96.9Very high97.7Very high27 Ų2730.9 Ų30.916%0.16416%0.163CC..SBendtrans-127.6172.1173.5-62.80000109.7L208 A267 S270 V277L208-V272 HydrophobicContact CD1-CG2 4.44Å; A267-V272 HydrophobicContact CB-CG2 4.32Å; A267-V272 PolarHBondContact O-N 2.97Å; A267-V272 VanDerWaalsContact O-N 3.09Å; S270-V272 PolarHBondContact O-N 3.03Å; V272-V277 HydrophobicContact CG2-CG2 3.51Å
273S96.7Very high97.7Very high50 Ų5035.7 Ų35.735%0.3519%0.186SC..  trans-72.7142.5175.470.60000111.3D275 E276 V277S273-D275 PolarHBondContact O-N 3.35Å; S273-E276 PolarHBondContact O-N 2.85Å; S273-E276 WeakPolarHBondContact OG-CB 3.37Å; S273-E276 PolarHBondContact OG-N 3.36Å; S273-E276 VanDerWaalsContact OG-N 3.09Å; S273-V277 PolarHBondContact O-N 3.46Å
274P97.3Very high97.7Very high32 Ų3236.4 Ų36.421%0.20819%0.19CC..Hα-helixtrans-57-36.4169.8-27.736.7000113.4Y8 E264 A267 E276 V277 A278Y8-P274 HydrophobicContact CE1-CB 4.05Å; Y8-P274 HydrophobicContact CE2-CB 4.31Å; Y8-P274 VanDerWaalsContact OH-CB 3.22Å; Y8-P274 WeakPolarHBondContact OH-CB 3.33Å; E264-P274 HydrophobicContact CG-CB 4.04Å; E264-P274 HydrophobicContact CG-CG 4.17Å; A267-P274 HydrophobicContact CB-CB 4.19Å; A267-P274 HydrophobicContact CB-CG 3.88Å; P274-E276 VanDerWaalsContact C-N 3.31Å; P274-E276 PolarHBondContact O-N 2.93Å; P274-V277 PolarHBondContact O-N 3.46Å; P274-A278 WeakPolarHBondContact O-CB 3.21Å; P274-A278 PolarHBondContact O-N 3.31Å
275D96.6Very high97.7Very high93 Ų9336.4 Ų36.450%0.49719%0.19SC..Hα-helixtrans-57-43.7175.2-65.2-66.4000112Y8 S273 A278 L279Y8-D275 WeakPolarHBondContact CD1-OD1 3.19Å; Y8-D275 HydrophobicContact CE1-CB 4.48Å; Y8-D275 WeakPolarHBondContact CE1-OD1 3.4Å; S273-D275 PolarHBondContact O-N 3.35Å; D275-A278 PolarHBondContact O-N 3.49Å; D275-L279 WeakPolarHBondContact O-CB 3.37Å; D275-L279 PolarHBondContact O-N 3.41Å
276E97.1Very high97.7Very high80 Ų8038.6 Ų38.637%0.37420%0.204SC..Hα-helixtrans-66.6-42.8178.6-173.2179.6-174.600111.5L208 S273 P274 R280L208-E276 HydrophobicContact CD1-CG 3.89Å; S273-E276 PolarHBondContact O-N 2.85Å; S273-E276 WeakPolarHBondContact OG-CB 3.37Å; S273-E276 PolarHBondContact OG-N 3.36Å; S273-E276 VanDerWaalsContact OG-N 3.09Å; P274-E276 VanDerWaalsContact C-N 3.31Å; P274-E276 PolarHBondContact O-N 2.93Å; E276-R280 HydrophobicContact CG-CG 4.31Å; E276-R280 VanDerWaalsContact O-CB 3.31Å; E276-R280 WeakPolarHBondContact O-CB 3.43Å; E276-R280 WeakPolarHBondContact O-CG 3.47Å; E276-R280 PolarHBondContact O-N 3.39Å
277V98.5Very high97.6Very high0 Ų044.8 Ų44.80%023%0.23CC..Hα-helixtrans-62-50.8175.9-179.60000110L208 V263 I266 A267 V272 S273 P274 L279 R280 T281L208-V277 HydrophobicContact CD2-CG2 4Å; V263-V277 HydrophobicContact CG1-CB 3.99Å; V263-V277 HydrophobicContact CG1-CG1 3.91Å; I266-V277 HydrophobicContact CB-CG1 4.12Å; I266-V277 HydrophobicContact CG2-CG1 3.76Å; I266-V277 HydrophobicContact CG2-CG2 4.18Å; A267-V277 HydrophobicContact CB-CG2 3.75Å; V272-V277 HydrophobicContact CG2-CG2 3.51Å; S273-V277 PolarHBondContact O-N 3.46Å; P274-V277 PolarHBondContact O-N 3.46Å; V277-L279 PolarHBondContact O-N 2.87Å; V277-R280 PolarHBondContact O-N 2.93Å; V277-T281 HydrophobicContact CG1-CG2 4.18Å; V277-T281 WeakPolarHBondContact O-CG2 3.35Å; V277-T281 PolarHBondContact O-N 3.08Å; V277-T281 PolarHBondContact O-OG1 2.9Å
278A98.4Very high97.6Very high3 Ų344.7 Ų44.73%0.02523%0.23CC..Hα-helixtrans-56.9-48.7-18000000112.4Y8 L10 V263 P274 D275 T281 T282Y8-A278 HydrophobicContact CD1-CB 3.93Å; Y8-A278 HydrophobicContact CD2-CB 4.43Å; Y8-A278 HydrophobicContact CG-CB 3.74Å; L10-A278 HydrophobicContact CD2-CB 3.55Å; V263-A278 HydrophobicContact CG1-CB 4.05Å; P274-A278 WeakPolarHBondContact O-CB 3.21Å; P274-A278 PolarHBondContact O-N 3.31Å; D275-A278 PolarHBondContact O-N 3.49Å; A278-T281 PolarHBondContact O-OG1 2.93Å; A278-T282 WeakPolarHBondContact O-CB 3.41Å; A278-T282 PolarHBondContact O-N 3.31Å; A278-T282 PolarHBondContact O-OG1 2.81Å
279L97Very high97.6Very high101 Ų10144.8 Ų44.853%0.52923%0.229SC..Hα-helixtrans-61.4-49.3179177.863.5000110.8D275 V277 M283D275-L279 WeakPolarHBondContact O-CB 3.37Å; D275-L279 PolarHBondContact O-N 3.41Å; V277-L279 PolarHBondContact O-N 2.87Å; L279-M283 HydrophobicContact CD1-CG 4.08Å; L279-M283 HydrophobicContact CD1-SD 3.89Å; L279-M283 HydrophobicContact CG-CG 4.47Å; L279-M283 HydrophobicContact CG-SD 3.96Å; L279-M283 WeakPolarHBondContact O-CB 3.5Å; L279-M283 WeakPolarHBondContact O-CG 3.39Å; L279-M283 PolarHBondContact O-N 3.2Å
280R98.3Very high97.5Very high107 Ų10747 Ų4740%0.40425%0.254SS..Hα-helixtrans-66.8-46.6-175.5-68.6-64.1-170.4-168.81.5112.2L208 E276 V277 T282 M283 N284L208-R280 HydrophobicContact CB-CB 4.03Å; L208-R280 HydrophobicContact CB-CG 4.08Å; E276-R280 HydrophobicContact CG-CG 4.31Å; E276-R280 VanDerWaalsContact O-CB 3.31Å; E276-R280 WeakPolarHBondContact O-CB 3.43Å; E276-R280 WeakPolarHBondContact O-CG 3.47Å; E276-R280 PolarHBondContact O-N 3.39Å; V277-R280 PolarHBondContact O-N 2.93Å; R280-T282 VanDerWaalsContact C-N 3.33Å; R280-T282 PolarHBondContact O-N 3.12Å; R280-M283 PolarHBondContact O-N 2.89Å; R280-N284 WeakPolarHBondContact O-CB 3.44Å; R280-N284 PolarHBondContact O-N 2.71Å; R280-N284 PolarHBondContact O-ND2 2.86Å; R280-N284 PolarHBondContact O-OD1 3.27Å
281T98.7Very high97.4Very high3 Ų346.9 Ų46.92%0.01825%0.253CS..Hα-helixtrans-67.3-37.2-179.760.50000111.6L211 V213 V277 A278 N284 A285L211-T281 HydrophobicContact CB-CG2 4.12Å; L211-T281 WeakPolarHBondContact O-CG2 3.39Å; V213-T281 HydrophobicContact CG1-CG2 4.07Å; V277-T281 HydrophobicContact CG1-CG2 4.18Å; V277-T281 WeakPolarHBondContact O-CG2 3.35Å; V277-T281 PolarHBondContact O-N 3.08Å; V277-T281 PolarHBondContact O-OG1 2.9Å; A278-T281 PolarHBondContact O-OG1 2.93Å; T281-N284 PolarHBondContact O-N 2.7Å; T281-A285 WeakPolarHBondContact O-CB 3.35Å; T281-A285 PolarHBondContact O-N 3.38Å
282T98.2Very high96.8Very high14 Ų1445.5 Ų45.59%0.08625%0.249CC..Hα-helixtrans-66.1-45.6174.7-63.10000112.1Q9 V11 A278 R280 N284 A285 V286 F293Q9-T282 PolarHBondContact O-OG1 3.33Å; V11-T282 HydrophobicContact CG2-CG2 4.06Å; A278-T282 WeakPolarHBondContact O-CB 3.41Å; A278-T282 PolarHBondContact O-N 3.31Å; A278-T282 PolarHBondContact O-OG1 2.81Å; R280-T282 VanDerWaalsContact C-N 3.33Å; R280-T282 PolarHBondContact O-N 3.12Å; T282-N284 VanDerWaalsContact C-N 3.3Å; T282-N284 PolarHBondContact O-N 3.04Å; T282-A285 PolarHBondContact O-N 3.02Å; T282-V286 WeakPolarHBondContact O-CG2 3.32Å; T282-V286 PolarHBondContact O-N 3.5Å; T282-F293 HydrophobicContact CG2-CE2 4.34Å; T282-F293 HydrophobicContact CG2-CZ 3.84Å
283M97.5Very high95.7Very high101 Ų10147.7 Ų47.750%0.49826%0.256SS..Hα-helixtrans-60.7-39.9175-75-17974.500112.1L279 R280 K287L279-M283 HydrophobicContact CD1-CG 4.08Å; L279-M283 HydrophobicContact CD1-SD 3.89Å; L279-M283 HydrophobicContact CG-CG 4.47Å; L279-M283 HydrophobicContact CG-SD 3.96Å; L279-M283 WeakPolarHBondContact O-CB 3.5Å; L279-M283 WeakPolarHBondContact O-CG 3.39Å; L279-M283 PolarHBondContact O-N 3.2Å; R280-M283 PolarHBondContact O-N 2.89Å; M283-K287 WeakPolarHBondContact O-CB 3.15Å; M283-K287 PolarHBondContact O-N 3.31Å
284N98.6Very high93.9Very high15 Ų1553.5 Ų53.58%0.0830%0.297CS..Hα-helixtrans-61.9-47.6175-64.6-22.9000110.4Y181 L208 L211 L212 R280 T281 T282 V286 K287 I288Y181-N284 HydrophobicContact CD1-CB 4.36Å; Y181-N284 HydrophobicContact CE1-CB 4.06Å; L208-N284 PolarHBondContact O-ND2 3.5Å; L211-N284 PolarHBondContact O-ND2 3.31Å; L212-N284 HydrophobicContact CD2-CB 3.65Å; L212-N284 HydrophobicContact CG-CB 4.46Å; R280-N284 WeakPolarHBondContact O-CB 3.44Å; R280-N284 PolarHBondContact O-N 2.71Å; R280-N284 PolarHBondContact O-ND2 2.86Å; R280-N284 PolarHBondContact O-OD1 3.27Å; T281-N284 PolarHBondContact O-N 2.7Å; T282-N284 VanDerWaalsContact C-N 3.3Å; T282-N284 PolarHBondContact O-N 3.04Å; N284-V286 PolarHBondContact O-N 3.5Å; N284-K287 PolarHBondContact O-N 3.16Å; N284-I288 HydrophobicContact CB-CD1 4.38Å; N284-I288 WeakPolarHBondContact O-CB 3Å; N284-I288 WeakPolarHBondContact O-CD1 3.21Å; N284-I288 WeakPolarHBondContact O-CG1 3.48Å; N284-I288 PolarHBondContact O-N 3.36Å
285A98.7Very high93.8Very high1 Ų154.6 Ų54.61%0.00830%0.301CS..Hα-helixtrans-61.5-45.8179.700000112V11 I13 L212 T281 T282 K287 I288 F289V11-A285 HydrophobicContact CB-CB 3.82Å; V11-A285 HydrophobicContact CG1-CB 3.76Å; V11-A285 HydrophobicContact CG2-CB 4.2Å; I13-A285 HydrophobicContact CG2-CB 3.96Å; L212-A285 HydrophobicContact CD2-CB 3.8Å; T281-A285 WeakPolarHBondContact O-CB 3.35Å; T281-A285 PolarHBondContact O-N 3.38Å; T282-A285 PolarHBondContact O-N 3.02Å; A285-K287 VanDerWaalsContact C-N 3.33Å; A285-K287 PolarHBondContact O-N 3.43Å; A285-I288 PolarHBondContact O-N 3.46Å; A285-F289 HydrophobicContact CB-CD2 4.26Å; A285-F289 WeakPolarHBondContact O-CB 3.23Å; A285-F289 WeakPolarHBondContact O-CD2 3.47Å; A285-F289 PolarHBondContact O-N 3.28Å
286V97.8Very high93.6Very high46 Ų4652.5 Ų52.528%0.27929%0.291SS..Hα-helixtrans-54.8-49.5174.51670000111.3T282 N284 G290 L291 F293T282-V286 WeakPolarHBondContact O-CG2 3.32Å; T282-V286 PolarHBondContact O-N 3.5Å; N284-V286 PolarHBondContact O-N 3.5Å; V286-G290 WeakPolarHBondContact O-CA 3.24Å; V286-G290 PolarHBondContact O-N 3.06Å; V286-L291 HydrophobicContact CG2-CB 4.45Å; V286-L291 PolarHBondContact O-N 3.21Å; V286-F293 HydrophobicContact CG2-CD2 3.56Å; V286-F293 HydrophobicContact CG2-CE2 3.2Å; V286-F293 HydrophobicContact CG2-CZ 4.26Å
287K97.1Very high93.4Very high130 Ų13051 Ų5157%0.56529%0.286SS*.Hα-helixtrans-63.8-47.4-178.8178.1-174.4172.5-173.40112.2R158 M283 N284 A285R158-K287 PolarHBondContact NH2-O 2.88Å; M283-K287 WeakPolarHBondContact O-CB 3.15Å; M283-K287 PolarHBondContact O-N 3.31Å; N284-K287 PolarHBondContact O-N 3.16Å; A285-K287 VanDerWaalsContact C-N 3.33Å; A285-K287 PolarHBondContact O-N 3.43Å
288I98Very high93.1Very high0 Ų054 Ų540%030%0.303CS..Hα-helixtrans-70.9-51.3-173.8-66.3162000110P134 R158 E159 V161 Y181 L212 N284 A285P134-I288 HydrophobicContact CB-CG2 3.93Å; P134-I288 HydrophobicContact CG-CG2 3.88Å; P134-I288 WeakPolarHBondContact CG-O 3.4Å; R158-I288 VanDerWaalsContact CZ-O 3.23Å; R158-I288 PolarHBondContact NH1-O 3.45Å; R158-I288 PolarHBondContact NH2-O 3.16Å; E159-I288 HydrophobicContact CB-CG1 4.3Å; E159-I288 HydrophobicContact CB-CG2 3.92Å; E159-I288 HydrophobicContact CG-CG1 4.13Å; E159-I288 HydrophobicContact CG-CG2 4.38Å; V161-I288 HydrophobicContact CG2-CD1 4.49Å; V161-I288 HydrophobicContact CG2-CG2 4.32Å; Y181-I288 HydrophobicContact CD1-CD1 3.51Å; Y181-I288 HydrophobicContact CD2-CD1 3.59Å; Y181-I288 HydrophobicContact CD2-CG1 4.29Å; Y181-I288 HydrophobicContact CE1-CD1 3.59Å; Y181-I288 HydrophobicContact CE1-CG1 4.35Å; Y181-I288 HydrophobicContact CE2-CD1 3.64Å; Y181-I288 HydrophobicContact CE2-CG1 3.94Å; Y181-I288 HydrophobicContact CG-CD1 3.54Å; L212-I288 HydrophobicContact CD1-CD1 3.78Å; L212-I288 HydrophobicContact CD2-CD1 4.15Å; L212-I288 HydrophobicContact CG-CD1 4.41Å; N284-I288 HydrophobicContact CB-CD1 4.38Å; N284-I288 WeakPolarHBondContact O-CB 3Å; N284-I288 WeakPolarHBondContact O-CD1 3.21Å; N284-I288 WeakPolarHBondContact O-CG1 3.48Å; N284-I288 PolarHBondContact O-N 3.36Å; A285-I288 PolarHBondContact O-N 3.46Å
289F98.1Very high92.8Very high9 Ų957.2 Ų57.24%0.03932%0.321CS..Hα-helixtrans-90.4-1.5-171.5-60.4-64.6000113.3I13 I43 V98 A99 P134 V161 L212 A285 L291I13-F289 HydrophobicContact CB-CE2 4.02Å; I13-F289 HydrophobicContact CB-CZ 4.47Å; I13-F289 HydrophobicContact CG2-CD2 4.42Å; I13-F289 HydrophobicContact CG2-CE2 3.78Å; I43-F289 HydrophobicContact CD1-CB 4.15Å; I43-F289 HydrophobicContact CD1-CD1 3.98Å; I43-F289 HydrophobicContact CD1-CD2 3.47Å; I43-F289 VanDerWaalsContact CD1-CD2 3.47Å; I43-F289 HydrophobicContact CD1-CE1 4.22Å; I43-F289 HydrophobicContact CD1-CE2 3.75Å; I43-F289 HydrophobicContact CD1-CG 3.59Å; I43-F289 HydrophobicContact CD1-CZ 4.1Å; V98-F289 HydrophobicContact CB-CB 3.93Å; V98-F289 HydrophobicContact CB-CD1 4.15Å; V98-F289 HydrophobicContact CB-CG 4.46Å; V98-F289 HydrophobicContact CG1-CB 4.47Å; V98-F289 WeakPolarHBondContact CG1-O 3.43Å; V98-F289 HydrophobicContact CG2-CB 4.09Å; V98-F289 HydrophobicContact CG2-CD1 3.87Å; V98-F289 HydrophobicContact CG2-CG 4.22Å; A99-F289 HydrophobicContact CB-CD1 4.15Å; A99-F289 HydrophobicContact CB-CE1 3.85Å; P134-F289 HydrophobicContact CB-CE1 4.42Å; P134-F289 HydrophobicContact CG-CD1 4.45Å; V161-F289 HydrophobicContact CG2-CZ 3.92Å; L212-F289 HydrophobicContact CD1-CE2 4.49Å; A285-F289 HydrophobicContact CB-CD2 4.26Å; A285-F289 WeakPolarHBondContact O-CB 3.23Å; A285-F289 WeakPolarHBondContact O-CD2 3.47Å; A285-F289 PolarHBondContact O-N 3.28Å; F289-L291 VanDerWaalsContact C-N 3.28Å; F289-L291 HydrophobicContact CB-CD1 4.35Å; F289-L291 HydrophobicContact CB-CD2 3.82Å; F289-L291 HydrophobicContact CB-CG 3.83Å; F289-L291 PolarHBondContact O-N 2.94Å
290G95.7Very high92.5Very high55 Ų5554.3 Ų54.357%0.56731%0.307SS*.THydrogen-bonded Turntrans65.831.8178.700000112.8V286V286-G290 WeakPolarHBondContact O-CA 3.24Å; V286-G290 PolarHBondContact O-N 3.06Å
291L94.8Very high92.1Very high7 Ų750.5 Ų50.54%0.03730%0.3CS..PPolyproline II helixtrans-72.9140.9-176.3-50.6178.5000110.4V11 K41 Y67 V98 V286 F289V11-L291 HydrophobicContact CB-CD1 4.49Å; V11-L291 HydrophobicContact CG1-CD1 3.63Å; V11-L291 HydrophobicContact CG2-CD1 4.05Å; K41-L291 HydrophobicContact CB-CD1 4.36Å; K41-L291 HydrophobicContact CG-CD1 4.46Å; Y67-L291 HydrophobicContact CD1-CD2 3.96Å; Y67-L291 HydrophobicContact CD2-CD2 3.74Å; Y67-L291 HydrophobicContact CE1-CD2 4.07Å; Y67-L291 HydrophobicContact CE2-CD2 3.89Å; Y67-L291 HydrophobicContact CG-CD2 3.78Å; V98-L291 HydrophobicContact CG1-CD2 4.07Å; V286-L291 HydrophobicContact CG2-CB 4.45Å; V286-L291 PolarHBondContact O-N 3.21Å; F289-L291 VanDerWaalsContact C-N 3.28Å; F289-L291 HydrophobicContact CB-CD1 4.35Å; F289-L291 HydrophobicContact CB-CD2 3.82Å; F289-L291 HydrophobicContact CB-CG 3.83Å; F289-L291 PolarHBondContact O-N 2.94Å
292T82.2Confident91.6Very high81 Ų8154.2 Ų54.250%0.49732%0.321SS..PPolyproline II helixtrans-98.8129.9174.949.50000110K41K41-T292 VanDerWaalsContact CE-O 3.29Å; K41-T292 WeakPolarHBondContact CE-O 3.39Å; K41-T292 PolarHBondContact NZ-O 3.16Å
293F75.4Confident91Very high73 Ų7357.5 Ų57.532%0.3234%0.341SS..PPolyproline II helixtrans-97.7116.4163.3-80.7-107.5000106.3Q9 V11 C40 K41 T282 V286Q9-F293 HydrophobicContact CB-CE1 4.41Å; V11-F293 HydrophobicContact CG2-CE2 4.19Å; V11-F293 HydrophobicContact CG2-CZ 3.94Å; C40-F293 HydrophobicContact CB-CE1 3.95Å; C40-F293 HydrophobicContact CB-CZ 4.4Å; K41-F293 HydrophobicContact CG-CE2 4.23Å; K41-F293 HydrophobicContact CG-CZ 4.16Å; T282-F293 HydrophobicContact CG2-CE2 4.34Å; T282-F293 HydrophobicContact CG2-CZ 3.84Å; V286-F293 HydrophobicContact CG2-CD2 3.56Å; V286-F293 HydrophobicContact CG2-CE2 3.2Å; V286-F293 HydrophobicContact CG2-CZ 4.26Å
294S58.5Low90.4Very high172 Ų17253.5 Ų53.5100%1.20333%0.327SS*.  trans-79.10171.243.90000111.6

Retrieved 294 of 294 residues in 219.7 ms (Link to these results)

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