A0A077ZDR8_TRITR Loading...

Alcohol dehydrogenase 4

Catalyzes the cofactor-independent reversible oxidation of gamma-hydroxybutyrate (GHB) to succinic semialdehyde (SSA) coupled to reduction of 2-ketoglutarate (2-KG) to D-2-hydroxyglutarate (D-2-HG). L-3-hydroxybutyrate (L-3-OHB) is also a substrate for HOT when using 2-KG as hydrogen acceptor, resulting in the formation of D-2-HG.

AlphaFold DB , UniProt , Accession A0A077ZDR8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 383 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M59.2Low91Very high226 Ų22684.8 Ų84.8100%1.11351%0.513SS*.  01290-80-173.5-87.700107.8
2A75Confident91.6Very high93 Ų9382 Ų8277%0.76949%0.493SS*.  trans-67.5158168.800000109.5S4A2-S4 PolarHBondContact O-N 3.42Å
3S92.3Very high92.1Very high122 Ų12276.9 Ų76.985%0.85346%0.462SS*.  trans-58.1138.6172-177.90000109.7
4S93.9Very high92.6Very high81 Ų8174.2 Ų74.257%0.56644%0.444SS*.  trans-127.6156.1172.854.50000109.3A2A2-S4 PolarHBondContact O-N 3.42Å
5T95.7Very high92.9Very high87 Ų8769.9 Ų69.953%0.53442%0.421SS..  trans-124141.8177-55.10000108.7F7T5-F7 HydrophobicContact CG2-CD1 4.33Å; T5-F7 HydrophobicContact CG2-CD2 3.96Å; T5-F7 HydrophobicContact CG2-CE1 3.84Å; T5-F7 HydrophobicContact CG2-CE2 3.42Å; T5-F7 VanDerWaalsContact CG2-CE2 3.42Å; T5-F7 HydrophobicContact CG2-CG 4.39Å; T5-F7 HydrophobicContact CG2-CZ 3.36Å
6F97.6Very high93.2Very high67 Ų6768.6 Ų68.629%0.29442%0.42SS..  trans-119.1106178.4-166.2-88000109.5I8 I211 T212 M252 N256F6-I8 HydrophobicContact CD1-CB 4.45Å; F6-I8 HydrophobicContact CD1-CG2 4.16Å; F6-I8 HydrophobicContact CE1-CB 4.06Å; F6-I8 HydrophobicContact CE1-CD1 4.29Å; F6-I8 HydrophobicContact CE1-CG2 4.04Å; F6-I211 HydrophobicContact CD2-CB 4.42Å; F6-I211 HydrophobicContact CD2-CG2 3.76Å; F6-I211 HydrophobicContact CE2-CB 4.4Å; F6-I211 HydrophobicContact CE2-CG2 3.42Å; F6-I211 VanDerWaalsContact CE2-CG2 3.42Å; F6-I211 HydrophobicContact CZ-CG2 4.02Å; F6-T212 HydrophobicContact CE2-CG2 4.49Å; F6-M252 HydrophobicContact CE1-CE 4.43Å; F6-M252 WeakPolarHBondContact CE2-O 3.21Å; F6-M252 HydrophobicContact CZ-CB 4.09Å; F6-M252 HydrophobicContact CZ-CE 4.02Å; F6-N256 WeakPolarHBondContact CA-OD1 3.24Å; F6-N256 HydrophobicContact CD2-CB 3.92Å; F6-N256 WeakPolarHBondContact CD2-ND2 3.49Å; F6-N256 HydrophobicContact CE2-CB 4.21Å; F6-N256 VanDerWaalsContact CE2-ND2 3.29Å; F6-N256 WeakPolarHBondContact CE2-ND2 3.42Å
7F97.9Very high93.3Very high51 Ų5171.4 Ų71.422%0.22443%0.431CS..  trans-93.9134.6176.4-58.7-82.9000110.3T5 K166 N255 N256T5-F7 HydrophobicContact CG2-CD1 4.33Å; T5-F7 HydrophobicContact CG2-CD2 3.96Å; T5-F7 HydrophobicContact CG2-CE1 3.84Å; T5-F7 HydrophobicContact CG2-CE2 3.42Å; T5-F7 VanDerWaalsContact CG2-CE2 3.42Å; T5-F7 HydrophobicContact CG2-CG 4.39Å; T5-F7 HydrophobicContact CG2-CZ 3.36Å; F7-K166 HydrophobicContact CD1-CB 4.22Å; F7-K166 HydrophobicContact CE1-CB 3.82Å; F7-N255 PolarHBondContact O-ND2 3.5Å; F7-N256 PolarHBondContact N-OD1 3.37Å; F7-N256 PolarHBondContact O-ND2 2.95Å; F7-N256 PolarHBondContact O-OD1 2.91Å
8I98.3Very high93.5Very high58 Ų5867.8 Ų67.830%0.29741%0.41SS..  trans-163.5151.3177.6-171169.9000107.8F6 M146 F248 M252F6-I8 HydrophobicContact CD1-CB 4.45Å; F6-I8 HydrophobicContact CD1-CG2 4.16Å; F6-I8 HydrophobicContact CE1-CB 4.06Å; F6-I8 HydrophobicContact CE1-CD1 4.29Å; F6-I8 HydrophobicContact CE1-CG2 4.04Å; I8-M146 HydrophobicContact CB-CE 4.4Å; I8-M146 HydrophobicContact CG1-CE 3.99Å; I8-F248 HydrophobicContact CD1-CE1 4.3Å; I8-F248 HydrophobicContact CD1-CZ 4.25Å; I8-M252 HydrophobicContact CD1-CE 4.13Å; I8-M252 HydrophobicContact CD1-CG 3.98Å; I8-M252 HydrophobicContact CD1-SD 4.29Å
9P98.1Very high93.6Very high4 Ų465.7 Ų65.73%0.02640%0.396CS..  trans-55.6148168.7-25.635.5000111V11 N12 M146 T169 P170P9-V11 PolarHBondContact O-N 3.22Å; P9-N12 WeakPolarHBondContact CB-OD1 3.44Å; P9-N12 WeakPolarHBondContact CG-OD1 2.83Å; P9-N12 PolarHBondContact O-ND2 3.21Å; P9-M146 WeakPolarHBondContact CD-O 3.49Å; P9-M146 HydrophobicContact CG-CB 3.77Å; P9-T169 HydrophobicContact CG-CG2 4Å; P9-P170 VanDerWaalsContact CB-O 3.3Å; P9-P170 WeakPolarHBondContact CB-O 3.49Å
10S95.9Very high93.7Very high98 Ų9866.5 Ų66.569%0.68540%0.401SS*.SBendtrans-66.9-29.7179.451.60000112.4L171S10-L171 PolarHBondContact OG-O 2.86Å
11V97.2Very high93.7Very high46 Ų4668 Ų6828%0.27941%0.408SS..EExtended strand (participates in β ladder)trans-130132.2179.1-175.50000109.7P9 V13 M25 L172 S173P9-V11 PolarHBondContact O-N 3.22Å; V11-V13 HydrophobicContact CG1-CG2 4.26Å; V11-M25 HydrophobicContact CG1-CE 4.5Å; V11-M25 HydrophobicContact CG1-SD 4.04Å; V11-L172 HydrophobicContact CB-CD1 4.31Å; V11-L172 HydrophobicContact CB-CG 4.24Å; V11-L172 HydrophobicContact CG1-CD1 3.92Å; V11-L172 HydrophobicContact CG1-CG 4.12Å; V11-L172 WeakPolarHBondContact O-CA 3.39Å; V11-S173 PolarHBondContact O-N 3.03Å; V11-S173 VanDerWaalsContact O-N 3.14Å
12N98.4Very high95.4Very high51 Ų5157.3 Ų57.327%0.27336%0.355SS..EExtended strand (participates in β ladder)trans-135.3112-179.9-51.1-87.7000108.1P9 S173 F248P9-N12 WeakPolarHBondContact CB-OD1 3.44Å; P9-N12 WeakPolarHBondContact CG-OD1 2.83Å; P9-N12 PolarHBondContact O-ND2 3.21Å; N12-S173 PolarHBondContact OD1-OG 3.33Å; N12-F248 HydrophobicContact CB-CE2 4.29Å; N12-F248 HydrophobicContact CB-CZ 3.77Å; N12-F248 VanDerWaalsContact OD1-CZ 3.28Å; N12-F248 WeakPolarHBondContact OD1-CZ 3.49Å
13V98.3Very high96.2Very high16 Ų1653 Ų5310%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-99116.9-178.9-177.90000107.9V11 S18 D21 A22 M25 L172 S173 V174 N175V11-V13 HydrophobicContact CG1-CG2 4.26Å; V13-S18 WeakPolarHBondContact CG1-O 3.39Å; V13-D21 HydrophobicContact CG1-CB 4.47Å; V13-A22 HydrophobicContact CB-CB 4.26Å; V13-A22 HydrophobicContact CG1-CB 4.15Å; V13-A22 HydrophobicContact CG2-CB 4.26Å; V13-M25 HydrophobicContact CG2-SD 3.75Å; V13-L172 HydrophobicContact CG2-CD1 4.3Å; V13-L172 HydrophobicContact CG2-CD2 4.23Å; V13-L172 HydrophobicContact CG2-CG 4.39Å; V13-S173 PolarHBondContact N-O 2.85Å; V13-V174 CarbonylContact O-C 3.49Å; V13-V174 WeakPolarHBondContact O-CA 3.41Å; V13-N175 PolarHBondContact O-N 3.36Å
14I98.2Very high96.2Very high39 Ų3950.8 Ų50.820%0.230%0.297CS..EExtended strand (participates in β ladder)trans-137.7135.9-172.5-47-177.7000109.5N175 Y245 F248I14-N175 HydrophobicContact CB-CB 4.38Å; I14-N175 HydrophobicContact CG1-CB 4.18Å; I14-N175 HydrophobicContact CG2-CB 3.92Å; I14-Y245 HydrophobicContact CB-CE1 4.03Å; I14-Y245 HydrophobicContact CD1-CE1 4.5Å; I14-Y245 HydrophobicContact CG2-CD1 3.87Å; I14-Y245 HydrophobicContact CG2-CD2 4.25Å; I14-Y245 HydrophobicContact CG2-CE1 3.54Å; I14-Y245 HydrophobicContact CG2-CE2 3.94Å; I14-Y245 HydrophobicContact CG2-CG 4.21Å; I14-Y245 PolarHBondContact O-OH 3.27Å; I14-F248 HydrophobicContact CD1-CB 4.37Å; I14-F248 HydrophobicContact CD1-CD1 3.66Å; I14-F248 HydrophobicContact CD1-CD2 4.07Å; I14-F248 HydrophobicContact CD1-CE1 3.92Å; I14-F248 HydrophobicContact CD1-CE2 4.28Å; I14-F248 HydrophobicContact CD1-CG 3.76Å; I14-F248 HydrophobicContact CD1-CZ 4.23Å
15G97.8Very high96.1Very high10 Ų1050.9 Ų50.910%0.10329%0.29CS..SBendtrans136.8161.3176.800000112.1D17 S18 N175 D176G15-D17 PolarHBondContact O-N 3.15Å; G15-S18 PolarHBondContact N-OG 3.14Å; G15-S18 WeakPolarHBondContact O-CB 3.38Å; G15-S18 PolarHBondContact O-N 3.28Å; G15-S18 PolarHBondContact O-OG 3.1Å; G15-N175 PolarHBondContact N-O 3.13Å; G15-N175 VanDerWaalsContact N-O 3.1Å; G15-D176 WeakPolarHBondContact O-CA 3.22Å
16A96.9Very high95.8Very high49 Ų4946.8 Ų46.841%0.40527%0.265SS..THydrogen-bonded Turntrans-56.2138.1173.600000111.6S18 S177 E241A16-S18 PolarHBondContact O-N 3.11Å; A16-S18 VanDerWaalsContact O-N 3.1Å; A16-S177 WeakPolarHBondContact CA-OG 3.42Å; A16-S177 WeakPolarHBondContact CB-OG 3.3Å; A16-S177 PolarHBondContact N-OG 3.38Å; A16-E241 PolarHBondContact N-OE2 2.97Å
17D95.8Very high95.4Very high115 Ų11545.7 Ų45.762%0.61527%0.268SS*.THydrogen-bonded Turntrans63.311.4177.7-51.2-49.7000114.8G15 L19 T20 D176G15-D17 PolarHBondContact O-N 3.15Å; D17-L19 PolarHBondContact O-N 2.86Å; D17-T20 PolarHBondContact O-N 3.25Å; D17-D176 WeakPolarHBondContact CA-OD2 3.46Å; D17-D176 PolarHBondContact N-OD1 2.95Å; D17-D176 PolarHBondContact N-OD2 2.92Å
18S96.3Very high95Very high7 Ų750.1 Ų50.15%0.04929%0.294CS..THydrogen-bonded Turntrans-72.9-8.2-176.969.80000114.3V13 G15 A16 T20 D21 A22 D176V13-S18 WeakPolarHBondContact CG1-O 3.39Å; G15-S18 PolarHBondContact N-OG 3.14Å; G15-S18 WeakPolarHBondContact O-CB 3.38Å; G15-S18 PolarHBondContact O-N 3.28Å; G15-S18 PolarHBondContact O-OG 3.1Å; A16-S18 PolarHBondContact O-N 3.11Å; A16-S18 VanDerWaalsContact O-N 3.1Å; S18-T20 PolarHBondContact O-N 3.34Å; S18-D21 PolarHBondContact O-N 3.08Å; S18-A22 PolarHBondContact O-N 3.23Å; S18-D176 PolarHBondContact N-OD2 2.87Å; S18-D176 VanDerWaalsContact N-OD2 3.08Å
19L96.4Very high94.7Very high28 Ų2851 Ų5115%0.14729%0.294CS..Hα-helixtrans-57.7-38.1172.9-17764.8000111.6D17 D21 A22 M23 V51 I136 V174 D176 L179D17-L19 PolarHBondContact O-N 2.86Å; L19-D21 PolarHBondContact O-N 3.26Å; L19-A22 WeakPolarHBondContact O-CB 3.38Å; L19-A22 PolarHBondContact O-N 3.34Å; L19-M23 HydrophobicContact CD1-CE 3.55Å; L19-M23 HydrophobicContact CD1-CG 4.43Å; L19-M23 HydrophobicContact CG-CE 4.18Å; L19-M23 HydrophobicContact CG-CG 4.3Å; L19-M23 WeakPolarHBondContact O-CB 3.15Å; L19-M23 VanDerWaalsContact O-CG 3.22Å; L19-M23 WeakPolarHBondContact O-CG 3.41Å; L19-M23 PolarHBondContact O-N 3.01Å; L19-V51 HydrophobicContact CD2-CG2 4.39Å; L19-I136 HydrophobicContact CD1-CD1 3.91Å; L19-I136 HydrophobicContact CD1-CG1 4.16Å; L19-I136 HydrophobicContact CD1-CG2 3.87Å; L19-V174 HydrophobicContact CD1-CG1 4.25Å; L19-D176 HydrophobicContact CB-CB 4.22Å; L19-D176 VanDerWaalsContact CB-OD2 3.26Å; L19-D176 WeakPolarHBondContact CB-OD2 3.48Å; L19-D176 PolarHBondContact N-OD2 3.36Å; L19-L179 HydrophobicContact CD2-CD1 4.17Å; L19-L179 HydrophobicContact CD2-CD2 4.36Å
20T94Very high94.4Very high81 Ų8153.5 Ų53.550%0.49732%0.32SS..Hα-helixtrans-64.2-43.1-180-59.10000111.3D17 S18 A22 M23 N24D17-T20 PolarHBondContact O-N 3.25Å; S18-T20 PolarHBondContact O-N 3.34Å; T20-A22 VanDerWaalsContact C-N 3.35Å; T20-M23 PolarHBondContact O-N 2.95Å; T20-N24 VanDerWaalsContact O-CG 3.3Å; T20-N24 PolarHBondContact O-N 3.44Å; T20-N24 PolarHBondContact O-ND2 3.17Å
21D94.6Very high94.3Very high100 Ų10050.2 Ų50.254%0.53529%0.294SS..Hα-helixtrans-63.9-43.3176.3-68.8-21.1000110.8V13 S18 L19 M23 N24 M25V13-D21 HydrophobicContact CG1-CB 4.47Å; S18-D21 PolarHBondContact O-N 3.08Å; L19-D21 PolarHBondContact O-N 3.26Å; D21-M23 PolarHBondContact O-N 3.37Å; D21-N24 PolarHBondContact O-N 3.3Å; D21-M25 WeakPolarHBondContact O-CG 3.4Å; D21-M25 PolarHBondContact O-N 2.98Å
22A94.4Very high94.2Very high0 Ų051.9 Ų51.90%030%0.304CS..Hα-helixtrans-59.5-46.7174.400000111.6V13 S18 L19 T20 N24 M25 M26 L172 V174V13-A22 HydrophobicContact CB-CB 4.26Å; V13-A22 HydrophobicContact CG1-CB 4.15Å; V13-A22 HydrophobicContact CG2-CB 4.26Å; S18-A22 PolarHBondContact O-N 3.23Å; L19-A22 WeakPolarHBondContact O-CB 3.38Å; L19-A22 PolarHBondContact O-N 3.34Å; T20-A22 VanDerWaalsContact C-N 3.35Å; A22-N24 VanDerWaalsContact C-N 3.3Å; A22-N24 PolarHBondContact O-N 2.86Å; A22-M25 CarbonylContact O-C 3.48Å; A22-M25 WeakPolarHBondContact O-CA 3.32Å; A22-M25 WeakPolarHBondContact O-CB 3.27Å; A22-M25 PolarHBondContact O-N 3.23Å; A22-M25 VanDerWaalsContact O-N 3.1Å; A22-M26 HydrophobicContact CB-CE 4.1Å; A22-M26 WeakPolarHBondContact O-CG 3.48Å; A22-M26 PolarHBondContact O-N 3.3Å; A22-L172 HydrophobicContact CB-CD2 4.26Å; A22-V174 HydrophobicContact CB-CB 4.29Å; A22-V174 HydrophobicContact CB-CG1 3.9Å; A22-V174 HydrophobicContact CB-CG2 3.34Å
23M93.2Very high94.2Very high3 Ų353 Ų532%0.01530%0.304CS..Hα-helixtrans-59.1-39.7178.3-72-64.7156.200112.2L19 T20 D21 M26 A27 V51 A54 L55 R58 I136L19-M23 HydrophobicContact CD1-CE 3.55Å; L19-M23 HydrophobicContact CD1-CG 4.43Å; L19-M23 HydrophobicContact CG-CE 4.18Å; L19-M23 HydrophobicContact CG-CG 4.3Å; L19-M23 WeakPolarHBondContact O-CB 3.15Å; L19-M23 VanDerWaalsContact O-CG 3.22Å; L19-M23 WeakPolarHBondContact O-CG 3.41Å; L19-M23 PolarHBondContact O-N 3.01Å; T20-M23 PolarHBondContact O-N 2.95Å; D21-M23 PolarHBondContact O-N 3.37Å; M23-M26 HydrophobicContact CE-CE 3.62Å; M23-M26 HydrophobicContact CE-SD 4.16Å; M23-M26 PolarHBondContact O-N 3.17Å; M23-M26 HydrophobicContact SD-CE 3.92Å; M23-M26 HydrophobicContact SD-SD 3.91Å; M23-A27 PolarHBondContact O-N 3.46Å; M23-V51 HydrophobicContact CE-CG1 3.8Å; M23-V51 HydrophobicContact CE-CG2 4.4Å; M23-A54 HydrophobicContact CG-CB 4.34Å; M23-A54 HydrophobicContact SD-CB 4.44Å; M23-L55 HydrophobicContact SD-CD2 3.94Å; M23-L55 HydrophobicContact SD-CG 4.21Å; M23-R58 VanDerWaalsContact O-CD 3.22Å; M23-R58 WeakPolarHBondContact O-CD 3.35Å; M23-R58 PolarHBondContact O-NE 2.88Å; M23-I136 HydrophobicContact CE-CD1 3.51Å
24N91.9Very high94.2Very high76 Ų7652.3 Ų52.341%0.40630%0.3SS..Hα-helixtrans-64-44.6173.8-66.3-25000111.5T20 D21 A22 M26 A27 R58T20-N24 VanDerWaalsContact O-CG 3.3Å; T20-N24 PolarHBondContact O-N 3.44Å; T20-N24 PolarHBondContact O-ND2 3.17Å; D21-N24 PolarHBondContact O-N 3.3Å; A22-N24 VanDerWaalsContact C-N 3.3Å; A22-N24 PolarHBondContact O-N 2.86Å; N24-M26 VanDerWaalsContact C-N 3.27Å; N24-M26 PolarHBondContact O-N 2.91Å; N24-A27 WeakPolarHBondContact O-CB 3.48Å; N24-A27 PolarHBondContact O-N 2.9Å; N24-R58 PolarHBondContact OD1-NE 3.1Å; N24-R58 VanDerWaalsContact OD1-NE 3.13Å; N24-R58 PolarHBondContact OD1-NH2 3.03Å
25M91.8Very high94.2Very high83 Ų8350.5 Ų50.541%0.40929%0.29SS..Hα-helixtrans-60.8-35173.6-69.8-180154.800112.4V11 V13 D21 A22 A27 D28 Y29 L172V11-M25 HydrophobicContact CG1-CE 4.5Å; V11-M25 HydrophobicContact CG1-SD 4.04Å; V13-M25 HydrophobicContact CG2-SD 3.75Å; D21-M25 WeakPolarHBondContact O-CG 3.4Å; D21-M25 PolarHBondContact O-N 2.98Å; A22-M25 CarbonylContact O-C 3.48Å; A22-M25 WeakPolarHBondContact O-CA 3.32Å; A22-M25 WeakPolarHBondContact O-CB 3.27Å; A22-M25 PolarHBondContact O-N 3.23Å; A22-M25 VanDerWaalsContact O-N 3.1Å; M25-A27 VanDerWaalsContact C-N 3.26Å; M25-A27 PolarHBondContact O-N 3.49Å; M25-D28 PolarHBondContact O-N 3.41Å; M25-D28 VanDerWaalsContact O-N 3.13Å; M25-Y29 VanDerWaalsContact O-CD2 3.22Å; M25-Y29 WeakPolarHBondContact O-CD2 3.44Å; M25-L172 HydrophobicContact CB-CD1 4.08Å; M25-L172 HydrophobicContact SD-CD1 4.14Å
26M88.6Confident94.2Very high1 Ų150 Ų501%0.00529%0.286CS..Hα-helixtrans-60.3-36.9179.2-50.8-158.2-167.700112.2A22 M23 N24 D28 Y29 L55 I93 I134 I136 V174A22-M26 HydrophobicContact CB-CE 4.1Å; A22-M26 WeakPolarHBondContact O-CG 3.48Å; A22-M26 PolarHBondContact O-N 3.3Å; M23-M26 HydrophobicContact CE-CE 3.62Å; M23-M26 HydrophobicContact CE-SD 4.16Å; M23-M26 PolarHBondContact O-N 3.17Å; M23-M26 HydrophobicContact SD-CE 3.92Å; M23-M26 HydrophobicContact SD-SD 3.91Å; N24-M26 VanDerWaalsContact C-N 3.27Å; N24-M26 PolarHBondContact O-N 2.91Å; M26-D28 PolarHBondContact O-N 3.18Å; M26-Y29 PolarHBondContact O-N 3.47Å; M26-L55 HydrophobicContact SD-CD2 4.46Å; M26-I93 HydrophobicContact SD-CD1 3.81Å; M26-I93 HydrophobicContact SD-CG1 4.45Å; M26-I134 HydrophobicContact CB-CD1 3.94Å; M26-I134 HydrophobicContact CE-CB 4.46Å; M26-I134 HydrophobicContact CE-CD1 4.25Å; M26-I134 HydrophobicContact CE-CG2 3.47Å; M26-I134 VanDerWaalsContact CE-CG2 3.47Å; M26-I134 HydrophobicContact CG-CD1 3.43Å; M26-I134 VanDerWaalsContact CG-CD1 3.43Å; M26-I134 HydrophobicContact SD-CB 4.35Å; M26-I134 HydrophobicContact SD-CD1 3.47Å; M26-I134 WeakPolarHBondContact SD-CD1 3.18Å; M26-I134 HydrophobicContact SD-CG1 4.48Å; M26-I134 HydrophobicContact SD-CG2 3.95Å; M26-I136 HydrophobicContact CE-CD1 4.18Å; M26-I136 HydrophobicContact CE-CG1 4.32Å; M26-V174 HydrophobicContact CE-CG2 4.32Å
27A88.6Confident94.3Very high43 Ų4347.7 Ų47.736%0.35527%0.266SS..Hα-helixtrans-61.7-31.5178.600000112.4M23 N24 M25 Y29 G30 R58M23-A27 PolarHBondContact O-N 3.46Å; N24-A27 WeakPolarHBondContact O-CB 3.48Å; N24-A27 PolarHBondContact O-N 2.9Å; M25-A27 VanDerWaalsContact C-N 3.26Å; M25-A27 PolarHBondContact O-N 3.49Å; A27-Y29 VanDerWaalsContact C-N 3.31Å; A27-Y29 PolarHBondContact O-N 3.49Å; A27-G30 PolarHBondContact O-N 3.46Å; A27-R58 HydrophobicContact CB-CB 4.41Å
28D90.8Very high94.5Very high144 Ų14442.2 Ų42.277%0.7724%0.237SC*.Hα-helixtrans-75.6-17.8-178.7-65.1-25000113.3M25 M26 G30M25-D28 PolarHBondContact O-N 3.41Å; M25-D28 VanDerWaalsContact O-N 3.13Å; M26-D28 PolarHBondContact O-N 3.18Å; D28-G30 PolarHBondContact O-N 2.93Å
29Y92Very high94.5Very high78 Ų7843.8 Ų43.831%0.30625%0.245SC..THydrogen-bonded Turntrans-74.8-12.9176.1-73.1-84.3000113.4M25 M26 A27 F31 I134 L171 L172M25-Y29 VanDerWaalsContact O-CD2 3.22Å; M25-Y29 WeakPolarHBondContact O-CD2 3.44Å; M26-Y29 PolarHBondContact O-N 3.47Å; A27-Y29 VanDerWaalsContact C-N 3.31Å; A27-Y29 PolarHBondContact O-N 3.49Å; Y29-F31 VanDerWaalsContact CB-CE2 3.49Å; Y29-F31 HydrophobicContact CD1-CZ 4.05Å; Y29-F31 HydrophobicContact CD2-CE2 4.37Å; Y29-F31 AromaticContact CG-CE2 3.93Å; Y29-F31 HydrophobicContact CG-CE2 3.93Å; Y29-F31 AromaticContact CG-CZ 3.79Å; Y29-F31 HydrophobicContact CG-CZ 3.79Å; Y29-I134 HydrophobicContact CD2-CD1 4.46Å; Y29-L171 HydrophobicContact CE1-CD1 4.48Å; Y29-L172 HydrophobicContact CE2-CD1 4.02Å
30G91.8Very high94.6Very high55 Ų5545.8 Ų45.857%0.56726%0.256SS*.THydrogen-bonded Turntrans76.618.3176.300000115.1A27 D28A27-G30 PolarHBondContact O-N 3.46Å; D28-G30 PolarHBondContact O-N 2.93Å
31F92.3Very high94.7Very high30 Ų3046.8 Ų46.813%0.13226%0.256CS..  trans-69.9142.9172.3-50.1-33.5000110.5Y29 P132 I134 L171Y29-F31 VanDerWaalsContact CB-CE2 3.49Å; Y29-F31 HydrophobicContact CD1-CZ 4.05Å; Y29-F31 HydrophobicContact CD2-CE2 4.37Å; Y29-F31 AromaticContact CG-CE2 3.93Å; Y29-F31 HydrophobicContact CG-CE2 3.93Å; Y29-F31 AromaticContact CG-CZ 3.79Å; Y29-F31 HydrophobicContact CG-CZ 3.79Å; F31-P132 HydrophobicContact CD1-CB 4.22Å; F31-P132 HydrophobicContact CE1-CB 3.29Å; F31-P132 HydrophobicContact CE1-CG 3.7Å; F31-P132 HydrophobicContact CE2-CB 4.14Å; F31-P132 HydrophobicContact CZ-CB 3.25Å; F31-P132 HydrophobicContact CZ-CG 4.14Å; F31-I134 HydrophobicContact CE2-CD1 4.01Å; F31-I134 HydrophobicContact CE2-CG1 4.41Å; F31-L171 HydrophobicContact CZ-CD1 4.19Å
32T95.7Very high94.8Very high80 Ų8042.8 Ų42.849%0.49124%0.235SC..  trans-117.9-27-17864.20000112.7F61 D90T32-F61 PolarHBondContact O-N 2.94Å; T32-D90 PolarHBondContact N-OD1 3.37Å; T32-D90 PolarHBondContact N-OD2 2.85Å; T32-D90 PolarHBondContact OG1-OD2 3.22Å
33R98.1Very high94.9Very high76 Ų7645 Ų4529%0.28725%0.248SC..EExtended strand (participates in β ladder)trans-142.6110.2-174.5-60.1-176.368.977.6-0109.9F61 N87 N88 C89 D90 S91R33-F61 CarbonylContact C-O 3.55Å; R33-F61 VanDerWaalsContact CA-O 3.28Å; R33-F61 WeakPolarHBondContact CA-O 3.49Å; R33-F61 HydrophobicContact CB-CD1 4.27Å; R33-F61 HydrophobicContact CG-CB 4.23Å; R33-F61 HydrophobicContact CG-CD1 4.21Å; R33-F61 VanDerWaalsContact CZ-CE1 3.5Å; R33-N87 VanDerWaalsContact CZ-O 3.25Å; R33-N87 PolarHBondContact NE-O 3.42Å; R33-N87 PolarHBondContact NH2-O 3.3Å; R33-N88 WeakPolarHBondContact CD-O 3.5Å; R33-C89 CarbonylContact O-C 3.41Å; R33-C89 WeakPolarHBondContact O-CA 3.41Å; R33-C89 WeakPolarHBondContact O-CB 3.21Å; R33-D90 PolarHBondContact N-OD1 2.74Å; R33-D90 VanDerWaalsContact N-OD1 3.16Å; R33-D90 PolarHBondContact N-OD2 3.11Å; R33-D90 PolarHBondContact O-N 2.97Å; R33-S91 PolarHBondContact O-N 2.91Å
34T98.2Very high95.1Very high1 Ų152.1 Ų52.11%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-115.5146.1-175-158.90000112.7I36 L55 I60 F61 S62 V63 S91 I93T34-I36 HydrophobicContact CG2-CG1 4.47Å; T34-L55 HydrophobicContact CG2-CD1 3.84Å; T34-I60 HydrophobicContact CG2-CG2 4.07Å; T34-F61 PolarHBondContact N-O 2.94Å; T34-S62 VanDerWaalsContact O-CA 3.28Å; T34-S62 WeakPolarHBondContact O-CA 3.42Å; T34-V63 PolarHBondContact O-N 3.47Å; T34-V63 VanDerWaalsContact O-N 3.1Å; T34-S91 WeakPolarHBondContact CA-O 3.14Å; T34-S91 WeakPolarHBondContact CB-OG 3.47Å; T34-S91 PolarHBondContact OG1-O 2.95Å; T34-S91 PolarHBondContact OG1-OG 3.15Å; T34-I93 HydrophobicContact CG2-CD1 3.84Å; T34-I93 HydrophobicContact CG2-CG1 4.41Å
35L98.9Very high95.3Very high0 Ų054 Ų540%029%0.289CS..EExtended strand (participates in β ladder)trans-94.5119.1167.3175.769.3000108.8V37 V63 G80 L83 L84 C89 S91 V92 I93 I107L35-V37 HydrophobicContact CD2-CG2 3.69Å; L35-V37 HydrophobicContact CG-CG2 3.86Å; L35-V63 HydrophobicContact CD1-CG2 3.9Å; L35-G80 WeakPolarHBondContact CD2-O 3.21Å; L35-L83 HydrophobicContact CD1-CB 4.46Å; L35-L83 HydrophobicContact CD1-CD2 3.85Å; L35-L83 HydrophobicContact CD1-CG 4.24Å; L35-L84 HydrophobicContact CB-CD1 4.49Å; L35-L84 HydrophobicContact CD2-CB 3.95Å; L35-L84 HydrophobicContact CD2-CD1 4.22Å; L35-C89 HydrophobicContact CB-CB 4.36Å; L35-S91 PolarHBondContact N-O 3.3Å; L35-V92 CarbonylContact O-C 3.55Å; L35-V92 WeakPolarHBondContact O-CA 3.28Å; L35-I93 PolarHBondContact O-N 3.03Å; L35-I107 HydrophobicContact CD2-CD1 4.35Å; L35-I107 HydrophobicContact CD2-CG2 4.01Å
36I98.8Very high95.5Very high0 Ų051.5 Ų51.50%028%0.284CS..EExtended strand (participates in β ladder)trans-85.4116.2169.1-58168.4000108.1T34 V51 Q52 L55 V63 I64 Y65 I93 L95T34-I36 HydrophobicContact CG2-CG1 4.47Å; I36-V51 HydrophobicContact CD1-CG1 4.1Å; I36-Q52 HydrophobicContact CD1-CB 3.9Å; I36-L55 HydrophobicContact CD1-CD1 3.86Å; I36-L55 HydrophobicContact CG1-CD1 4.21Å; I36-V63 PolarHBondContact N-O 3.26Å; I36-I64 HydrophobicContact CB-CG1 4.18Å; I36-I64 HydrophobicContact CD1-CG1 4.08Å; I36-Y65 PolarHBondContact O-N 2.83Å; I36-I93 CarbonylContact C-O 3.6Å; I36-I93 VanDerWaalsContact CA-O 3.26Å; I36-I93 WeakPolarHBondContact CA-O 3.29Å; I36-I93 HydrophobicContact CG1-CB 4.48Å; I36-L95 HydrophobicContact CG2-CB 4.3Å
37V98.9Very high95.9Very high0 Ų053 Ų530%029%0.292CS..EExtended strand (participates in β ladder)trans-103.1116.9176.5176.60000108.6L35 Y65 V92 I93 S94 L95 C103 A104 I107L35-V37 HydrophobicContact CD2-CG2 3.69Å; L35-V37 HydrophobicContact CG-CG2 3.86Å; V37-Y65 WeakPolarHBondContact CA-O 3.45Å; V37-Y65 HydrophobicContact CG1-CD1 4.09Å; V37-V92 HydrophobicContact CG2-CG1 3.83Å; V37-I93 PolarHBondContact N-O 2.72Å; V37-S94 CarbonylContact O-C 3.57Å; V37-S94 WeakPolarHBondContact O-CA 3.43Å; V37-L95 PolarHBondContact O-N 3.34Å; V37-C103 HydrophobicContact CG1-CB 4.05Å; V37-A104 HydrophobicContact CB-CB 3.83Å; V37-A104 HydrophobicContact CG1-CB 3.95Å; V37-A104 HydrophobicContact CG2-CB 4.04Å; V37-I107 HydrophobicContact CG1-CD1 4.27Å; V37-I107 HydrophobicContact CG2-CD1 3.72Å
38T98.8Very high96.4Very high0 Ų051 Ų510%028%0.275CS..  trans-146.1-173-175.7-1630000111.4A48 I64 Y65 D66 T68 L95T38-A48 HydrophobicContact CG2-CB 4.01Å; T38-I64 HydrophobicContact CG2-CG2 3.97Å; T38-Y65 PolarHBondContact N-O 3.41Å; T38-D66 HydrophobicContact CG2-CB 3.87Å; T38-D66 CarbonylContact O-C 3.52Å; T38-D66 WeakPolarHBondContact O-CA 3.23Å; T38-T68 WeakPolarHBondContact O-CB 3.27Å; T38-T68 PolarHBondContact O-N 2.9Å; T38-T68 PolarHBondContact O-OG1 2.82Å; T38-L95 WeakPolarHBondContact CA-O 3.13Å; T38-L95 VanDerWaalsContact CB-O 3.28Å; T38-L95 WeakPolarHBondContact CB-O 3.22Å; T38-L95 PolarHBondContact OG1-O 2.88Å
39D97.6Very high96.7Very high40 Ų4045.7 Ų45.721%0.21425%0.254CS..BIsolated β-bridgetrans-107.7160.6171.467.457.6000111.4M41 L42 T43 D66 P100D39-M41 PolarHBondContact O-N 3.14Å; D39-M41 WeakPolarHBondContact OD1-CA 3.08Å; D39-M41 VanDerWaalsContact OD1-CB 3.26Å; D39-M41 WeakPolarHBondContact OD1-CB 3.5Å; D39-M41 PolarHBondContact OD1-N 2.99Å; D39-L42 PolarHBondContact O-N 2.76Å; D39-L42 PolarHBondContact OD1-N 3.25Å; D39-T43 PolarHBondContact O-N 3.32Å; D39-T43 PolarHBondContact O-OG1 3.11Å; D39-D66 CarbonylContact C-O 3.44Å; D39-P100 HydrophobicContact CB-CG 4.39Å
40N97.4Very high97Very high70 Ų7047.4 Ų47.437%0.37427%0.268SS..Hα-helixtrans-63.3-24.9-177.2-173.9-103.5000113.3K44 D66N40-K44 WeakPolarHBondContact O-CB 3.36Å; N40-K44 VanDerWaalsContact O-CG 3.32Å; N40-K44 WeakPolarHBondContact O-CG 3.35Å; N40-K44 PolarHBondContact O-N 3.02Å; N40-K44 WeakPolarHBondContact OD1-CD 3.45Å; N40-K44 WeakPolarHBondContact OD1-CE 3.19Å; N40-K44 PolarHBondContact OD1-NZ 2.87Å; N40-D66 PolarHBondContact N-O 2.86Å; N40-D66 PolarHBondContact ND2-OD2 3.25Å
41M95.8Very high97.2Very high102 Ų10244.9 Ų44.950%0.50224%0.242SC..Hα-helixtrans-71.1-45.9179.1-169.967.2-106.600110.4D39 T43 K44 L45D39-M41 PolarHBondContact O-N 3.14Å; D39-M41 WeakPolarHBondContact OD1-CA 3.08Å; D39-M41 VanDerWaalsContact OD1-CB 3.26Å; D39-M41 WeakPolarHBondContact OD1-CB 3.5Å; D39-M41 PolarHBondContact OD1-N 2.99Å; M41-T43 VanDerWaalsContact C-N 3.3Å; M41-T43 PolarHBondContact O-N 3.3Å; M41-K44 HydrophobicContact CE-CB 3.92Å; M41-K44 WeakPolarHBondContact O-CB 3.29Å; M41-K44 PolarHBondContact O-N 2.68Å; M41-K44 VanDerWaalsContact O-N 3.14Å; M41-L45 HydrophobicContact CE-CD1 4.14Å; M41-L45 HydrophobicContact CE-CD2 3.84Å; M41-L45 HydrophobicContact CE-CG 3.59Å; M41-L45 HydrophobicContact CG-CD1 4.22Å; M41-L45 WeakPolarHBondContact O-CG 3.47Å; M41-L45 PolarHBondContact O-N 3.22Å
42L96.8Very high97.5Very high17 Ų1746.6 Ų46.69%0.08925%0.25CS..Hα-helixtrans-66.1-32.5178.1-66.1-179.9000112.7D39 L45 G46 M47 A48 L95 T138D39-L42 PolarHBondContact O-N 2.76Å; D39-L42 PolarHBondContact OD1-N 3.25Å; L42-L45 HydrophobicContact CD2-CD1 4.41Å; L42-G46 PolarHBondContact O-N 3.32Å; L42-M47 HydrophobicContact CD2-CE 4.26Å; L42-M47 HydrophobicContact CD2-SD 3.96Å; L42-M47 PolarHBondContact O-N 2.6Å; L42-M47 VanDerWaalsContact O-N 3.12Å; L42-A48 PolarHBondContact O-N 3.37Å; L42-L95 HydrophobicContact CD1-CG 4.33Å; L42-T138 HydrophobicContact CD1-CG2 4.37Å
43T97.3Very high97.6Very high47 Ų4748.6 Ų48.629%0.28825%0.252SS..Hα-helixtrans-63.9-48.1168.8-60.30000111.5D39 M41 L45 G46 D66D39-T43 PolarHBondContact O-N 3.32Å; D39-T43 PolarHBondContact O-OG1 3.11Å; M41-T43 VanDerWaalsContact C-N 3.3Å; M41-T43 PolarHBondContact O-N 3.3Å; T43-L45 VanDerWaalsContact C-N 3.27Å; T43-L45 PolarHBondContact O-N 3.37Å; T43-G46 PolarHBondContact O-N 2.83Å; T43-D66 WeakPolarHBondContact OG1-CB 3.48Å
44K96.9Very high97.5Very high151 Ų15145.9 Ų45.966%0.65725%0.246SC*.Hα-helixtrans-62.4-31.6177.9-80.8171.3172.8160.10113.5N40 M41 G46N40-K44 WeakPolarHBondContact O-CB 3.36Å; N40-K44 VanDerWaalsContact O-CG 3.32Å; N40-K44 WeakPolarHBondContact O-CG 3.35Å; N40-K44 PolarHBondContact O-N 3.02Å; N40-K44 WeakPolarHBondContact OD1-CD 3.45Å; N40-K44 WeakPolarHBondContact OD1-CE 3.19Å; N40-K44 PolarHBondContact OD1-NZ 2.87Å; M41-K44 HydrophobicContact CE-CB 3.92Å; M41-K44 WeakPolarHBondContact O-CB 3.29Å; M41-K44 PolarHBondContact O-N 2.68Å; M41-K44 VanDerWaalsContact O-N 3.14Å; K44-G46 PolarHBondContact O-N 3.49Å
45L95.6Very high97.4Very high116 Ų11645.9 Ų45.961%0.60725%0.246SC*.THydrogen-bonded Turntrans-77.2-6.9175.1-68.7173.4000113.3M41 L42 T43 M47M41-L45 HydrophobicContact CE-CD1 4.14Å; M41-L45 HydrophobicContact CE-CD2 3.84Å; M41-L45 HydrophobicContact CE-CG 3.59Å; M41-L45 HydrophobicContact CG-CD1 4.22Å; M41-L45 WeakPolarHBondContact O-CG 3.47Å; M41-L45 PolarHBondContact O-N 3.22Å; L42-L45 HydrophobicContact CD2-CD1 4.41Å; T43-L45 VanDerWaalsContact C-N 3.27Å; T43-L45 PolarHBondContact O-N 3.37Å; L45-M47 VanDerWaalsContact C-N 3.31Å; L45-M47 PolarHBondContact O-N 3.29Å
46G97.3Very high97.3Very high30 Ų3052.5 Ų52.531%0.30928%0.277SS..THydrogen-bonded Turntrans87.9-12.5-179.900000114.7L42 T43 K44 A48 G49 D50L42-G46 PolarHBondContact O-N 3.32Å; T43-G46 PolarHBondContact O-N 2.83Å; K44-G46 PolarHBondContact O-N 3.49Å; G46-A48 VanDerWaalsContact C-N 3.32Å; G46-A48 PolarHBondContact O-N 3.03Å; G46-G49 WeakPolarHBondContact O-CA 3.44Å; G46-G49 PolarHBondContact O-N 3.26Å; G46-D50 PolarHBondContact O-N 2.95Å
47M97.2Very high97.1Very high34 Ų3458.6 Ų58.617%0.16731%0.305CS..Hα-helixtrans-59.5-39.9-174.6-168.6-177.4-72.500112.8L42 L45 G49 D50 V51 L95 T138 L179L42-M47 HydrophobicContact CD2-CE 4.26Å; L42-M47 HydrophobicContact CD2-SD 3.96Å; L42-M47 PolarHBondContact O-N 2.6Å; L42-M47 VanDerWaalsContact O-N 3.12Å; L45-M47 VanDerWaalsContact C-N 3.31Å; L45-M47 PolarHBondContact O-N 3.29Å; M47-G49 VanDerWaalsContact C-N 3.3Å; M47-G49 PolarHBondContact O-N 3.11Å; M47-D50 PolarHBondContact O-N 3.28Å; M47-V51 WeakPolarHBondContact O-CG2 3Å; M47-V51 PolarHBondContact O-N 3.35Å; M47-V51 VanDerWaalsContact O-N 3.09Å; M47-L95 HydrophobicContact CG-CD1 4.39Å; M47-L95 HydrophobicContact CG-CD2 4.16Å; M47-L95 HydrophobicContact SD-CD1 4.04Å; M47-T138 HydrophobicContact SD-CG2 3.75Å; M47-L179 HydrophobicContact CE-CB 4.25Å; M47-L179 HydrophobicContact CE-CD2 4.12Å; M47-L179 HydrophobicContact SD-CD2 4.29Å
48A97.8Very high96.9Very high0 Ų061.3 Ų61.30%032%0.316CS..Hα-helixtrans-65.2-35.8175.700000112.3T38 L42 G46 Q52 I64 L95T38-A48 HydrophobicContact CG2-CB 4.01Å; L42-A48 PolarHBondContact O-N 3.37Å; G46-A48 VanDerWaalsContact C-N 3.32Å; G46-A48 PolarHBondContact O-N 3.03Å; A48-Q52 WeakPolarHBondContact O-CB 3.46Å; A48-Q52 PolarHBondContact O-N 2.89Å; A48-I64 HydrophobicContact CB-CD1 4.04Å; A48-I64 HydrophobicContact CB-CG2 4.46Å; A48-L95 HydrophobicContact CB-CD2 4.07Å
49G98Very high96.7Very high32 Ų3268.4 Ų68.433%0.3335%0.354SS..Hα-helixtrans-68.6-39.9175.300000112.4G46 M47 Q52 K53G46-G49 WeakPolarHBondContact O-CA 3.44Å; G46-G49 PolarHBondContact O-N 3.26Å; M47-G49 VanDerWaalsContact C-N 3.3Å; M47-G49 PolarHBondContact O-N 3.11Å; G49-Q52 PolarHBondContact O-N 3.26Å; G49-K53 WeakPolarHBondContact O-CB 3.25Å; G49-K53 PolarHBondContact O-N 2.79Å
50D97.1Very high96.7Very high114 Ų11466.8 Ų66.861%0.6135%0.345SS*.Hα-helixtrans-62.9-43.4176.1-67.7-28.5000111.5G46 M47 K53 A54G46-D50 PolarHBondContact O-N 2.95Å; M47-D50 PolarHBondContact O-N 3.28Å; D50-K53 PolarHBondContact O-N 3.46Å; D50-A54 WeakPolarHBondContact O-CB 3.2Å; D50-A54 PolarHBondContact O-N 3.35Å
51V97.3Very high96.7Very high2 Ų267.6 Ų67.61%0.01235%0.345CS..Hα-helixtrans-63.1-46173.6170.80000111.2L19 M23 I36 M47 K53 A54 L55 L95 I136L19-V51 HydrophobicContact CD2-CG2 4.39Å; M23-V51 HydrophobicContact CE-CG1 3.8Å; M23-V51 HydrophobicContact CE-CG2 4.4Å; I36-V51 HydrophobicContact CD1-CG1 4.1Å; M47-V51 WeakPolarHBondContact O-CG2 3Å; M47-V51 PolarHBondContact O-N 3.35Å; M47-V51 VanDerWaalsContact O-N 3.09Å; V51-K53 VanDerWaalsContact C-N 3.31Å; V51-K53 PolarHBondContact O-N 2.96Å; V51-A54 PolarHBondContact O-N 3.36Å; V51-L55 HydrophobicContact CG1-CD1 3.92Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.28Å; V51-L55 PolarHBondContact O-N 3.39Å; V51-L95 HydrophobicContact CB-CD2 4.48Å; V51-L95 HydrophobicContact CG2-CD1 4.3Å; V51-L95 HydrophobicContact CG2-CD2 4.05Å; V51-I136 HydrophobicContact CG1-CD1 4.21Å; V51-I136 HydrophobicContact CG2-CD1 4.41Å
52Q97.3Very high96.8Very high66 Ų6663.2 Ų63.231%0.30833%0.325SS..Hα-helixtrans-57.6-43.7176.8164.9163.171.900112I36 A48 G49 L55 E56 S62 I64I36-Q52 HydrophobicContact CD1-CB 3.9Å; A48-Q52 WeakPolarHBondContact O-CB 3.46Å; A48-Q52 PolarHBondContact O-N 2.89Å; G49-Q52 PolarHBondContact O-N 3.26Å; Q52-L55 PolarHBondContact O-N 3.43Å; Q52-E56 PolarHBondContact O-N 3.4Å; Q52-S62 VanDerWaalsContact CG-OG 3.29Å; Q52-S62 WeakPolarHBondContact CG-OG 3.46Å; Q52-S62 PolarHBondContact NE2-O 3.34Å; Q52-S62 PolarHBondContact NE2-OG 2.86Å; Q52-I64 HydrophobicContact CB-CD1 4.24Å
53K97.6Very high96.9Very high122 Ų12263.5 Ų63.553%0.5333%0.327SS..Hα-helixtrans-65.3-43.3176.4-176.1-176171.9-168.30112G49 D50 V51 L55 E56 E57G49-K53 WeakPolarHBondContact O-CB 3.25Å; G49-K53 PolarHBondContact O-N 2.79Å; D50-K53 PolarHBondContact O-N 3.46Å; V51-K53 VanDerWaalsContact C-N 3.31Å; V51-K53 PolarHBondContact O-N 2.96Å; K53-L55 PolarHBondContact O-N 2.83Å; K53-E56 WeakPolarHBondContact O-CB 3.4Å; K53-E56 PolarHBondContact O-N 2.85Å; K53-E56 VanDerWaalsContact O-N 3.14Å; K53-E57 WeakPolarHBondContact CE-OE1 3.5Å; K53-E57 WeakPolarHBondContact O-CG 3.38Å; K53-E57 PolarHBondContact O-N 2.78Å
54A96.1Very high97Very high20 Ų2063.3 Ų63.317%0.16532%0.324CS..Hα-helixtrans-61.5-33.9177.100000112.3M23 D50 V51 R58M23-A54 HydrophobicContact CG-CB 4.34Å; M23-A54 HydrophobicContact SD-CB 4.44Å; D50-A54 WeakPolarHBondContact O-CB 3.2Å; D50-A54 PolarHBondContact O-N 3.35Å; V51-A54 PolarHBondContact O-N 3.36Å; A54-R58 PolarHBondContact O-NH1 2.81Å
55L96.2Very high97.1Very high1 Ų157.2 Ų57.21%0.00530%0.297CS..Hα-helixtrans-70.3-42173.2-69.2163.3000111.7M23 M26 T34 I36 V51 Q52 K53 E57 R58 N59 I60 I93M23-L55 HydrophobicContact SD-CD2 3.94Å; M23-L55 HydrophobicContact SD-CG 4.21Å; M26-L55 HydrophobicContact SD-CD2 4.46Å; T34-L55 HydrophobicContact CG2-CD1 3.84Å; I36-L55 HydrophobicContact CD1-CD1 3.86Å; I36-L55 HydrophobicContact CG1-CD1 4.21Å; V51-L55 HydrophobicContact CG1-CD1 3.92Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.28Å; V51-L55 PolarHBondContact O-N 3.39Å; Q52-L55 PolarHBondContact O-N 3.43Å; K53-L55 PolarHBondContact O-N 2.83Å; L55-E57 VanDerWaalsContact C-N 3.33Å; L55-E57 PolarHBondContact O-N 3.16Å; L55-R58 CarbonylContact O-C 3.52Å; L55-R58 WeakPolarHBondContact O-CA 3.31Å; L55-R58 PolarHBondContact O-N 2.81Å; L55-N59 PolarHBondContact O-N 2.85Å; L55-I60 CarbonylContact C-O 3.48Å; L55-I60 HydrophobicContact CB-CB 4.13Å; L55-I60 HydrophobicContact CB-CG2 4.48Å; L55-I60 HydrophobicContact CD2-CB 4.26Å; L55-I60 HydrophobicContact CD2-CD1 3.99Å; L55-I60 HydrophobicContact CD2-CG2 4.21Å; L55-I60 PolarHBondContact O-N 2.78Å; L55-I93 HydrophobicContact CD1-CD1 3.68Å; L55-I93 HydrophobicContact CD2-CD1 3.75Å; L55-I93 HydrophobicContact CG-CD1 4.33Å
56E96.4Very high97.2Very high138 Ų13854.1 Ų54.165%0.64528%0.281SS*.Hα-helixtrans-59.6-41.9176.7-175.2178.1-16600112Q52 K53 R58 N59Q52-E56 PolarHBondContact O-N 3.4Å; K53-E56 WeakPolarHBondContact O-CB 3.4Å; K53-E56 PolarHBondContact O-N 2.85Å; K53-E56 VanDerWaalsContact O-N 3.14Å; E56-R58 PolarHBondContact O-N 3.48Å; E56-N59 WeakPolarHBondContact O-CA 3.48Å; E56-N59 PolarHBondContact O-N 3.14Å
57E95.7Very high97.2Very high128 Ų12854.4 Ų54.460%0.59828%0.284SS*.THydrogen-bonded Turntrans-59.2-19.5174.8-71.1171.6-178.300113.4K53 L55K53-E57 WeakPolarHBondContact CE-OE1 3.5Å; K53-E57 WeakPolarHBondContact O-CG 3.38Å; K53-E57 PolarHBondContact O-N 2.78Å; L55-E57 VanDerWaalsContact C-N 3.33Å; L55-E57 PolarHBondContact O-N 3.16Å
58R94.7Very high97.2Very high57 Ų5753.1 Ų53.122%0.21528%0.278CS..THydrogen-bonded Turntrans-104.813.2176.6-68.3165.1-177.873.40.9112.6M23 N24 A27 A54 L55 E56 I60M23-R58 VanDerWaalsContact O-CD 3.22Å; M23-R58 WeakPolarHBondContact O-CD 3.35Å; M23-R58 PolarHBondContact O-NE 2.88Å; N24-R58 PolarHBondContact OD1-NE 3.1Å; N24-R58 VanDerWaalsContact OD1-NE 3.13Å; N24-R58 PolarHBondContact OD1-NH2 3.03Å; A27-R58 HydrophobicContact CB-CB 4.41Å; A54-R58 PolarHBondContact O-NH1 2.81Å; L55-R58 CarbonylContact O-C 3.52Å; L55-R58 WeakPolarHBondContact O-CA 3.31Å; L55-R58 PolarHBondContact O-N 2.81Å; E56-R58 PolarHBondContact O-N 3.48Å; R58-I60 VanDerWaalsContact C-N 3.25Å; R58-I60 HydrophobicContact CB-CD1 4.43Å; R58-I60 HydrophobicContact CB-CG1 4.45Å; R58-I60 PolarHBondContact O-N 3.08Å
59N95.1Very high97Very high149 Ų14957 Ų5780%0.79730%0.296SS*.THydrogen-bonded Turntrans60.928.9-177.4-52.3-73.4000114.1L55 E56L55-N59 PolarHBondContact O-N 2.85Å; E56-N59 WeakPolarHBondContact O-CA 3.48Å; E56-N59 PolarHBondContact O-N 3.14Å
60I96.5Very high96.7Very high7 Ų759.9 Ų59.94%0.03631%0.309CS..  trans-100.8110.5174-56.1174.1000107.7T34 L55 R58T34-I60 HydrophobicContact CG2-CG2 4.07Å; L55-I60 CarbonylContact C-O 3.48Å; L55-I60 HydrophobicContact CB-CB 4.13Å; L55-I60 HydrophobicContact CB-CG2 4.48Å; L55-I60 HydrophobicContact CD2-CB 4.26Å; L55-I60 HydrophobicContact CD2-CD1 3.99Å; L55-I60 HydrophobicContact CD2-CG2 4.21Å; L55-I60 PolarHBondContact O-N 2.78Å; R58-I60 VanDerWaalsContact C-N 3.25Å; R58-I60 HydrophobicContact CB-CD1 4.43Å; R58-I60 HydrophobicContact CB-CG1 4.45Å; R58-I60 PolarHBondContact O-N 3.08Å
61F97.8Very high96.5Very high87 Ų8755.1 Ų55.138%0.38228%0.283SS..EExtended strand (participates in β ladder)trans-65.9138.8173.2173.1-89.3000109.4T32 R33 T34 V63T32-F61 PolarHBondContact O-N 2.94Å; R33-F61 CarbonylContact C-O 3.55Å; R33-F61 VanDerWaalsContact CA-O 3.28Å; R33-F61 WeakPolarHBondContact CA-O 3.49Å; R33-F61 HydrophobicContact CB-CD1 4.27Å; R33-F61 HydrophobicContact CG-CB 4.23Å; R33-F61 HydrophobicContact CG-CD1 4.21Å; R33-F61 VanDerWaalsContact CZ-CE1 3.5Å; T34-F61 PolarHBondContact N-O 2.94Å; F61-V63 HydrophobicContact CE1-CG1 3.64Å; F61-V63 HydrophobicContact CZ-CG1 3.68Å
62S98.2Very high96.4Very high10 Ų1055.2 Ų55.27%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-137.5146.9177.561.70000112.8T34 Q52T34-S62 VanDerWaalsContact O-CA 3.28Å; T34-S62 WeakPolarHBondContact O-CA 3.42Å; Q52-S62 VanDerWaalsContact CG-OG 3.29Å; Q52-S62 WeakPolarHBondContact CG-OG 3.46Å; Q52-S62 PolarHBondContact NE2-O 3.34Å; Q52-S62 PolarHBondContact NE2-OG 2.86Å
63V98.6Very high96.4Very high23 Ų2352.1 Ų52.114%0.13927%0.27CS..EExtended strand (participates in β ladder)trans-122.6145.9167.9-74.60000109.7T34 L35 I36 F61 L83 N87T34-V63 PolarHBondContact O-N 3.47Å; T34-V63 VanDerWaalsContact O-N 3.1Å; L35-V63 HydrophobicContact CD1-CG2 3.9Å; I36-V63 PolarHBondContact N-O 3.26Å; F61-V63 HydrophobicContact CE1-CG1 3.64Å; F61-V63 HydrophobicContact CZ-CG1 3.68Å; V63-L83 HydrophobicContact CG2-CG 4.44Å; V63-N87 HydrophobicContact CG1-CB 4.23Å; V63-N87 HydrophobicContact CG2-CB 3.85Å
64I98.8Very high96.4Very high42 Ų4246.7 Ų46.722%0.21525%0.247CC..EExtended strand (participates in β ladder)trans-103.1127.9-176.9-62.1167.8000109.4I36 T38 A48 Q52 D66 L83I36-I64 HydrophobicContact CB-CG1 4.18Å; I36-I64 HydrophobicContact CD1-CG1 4.08Å; T38-I64 HydrophobicContact CG2-CG2 3.97Å; A48-I64 HydrophobicContact CB-CD1 4.04Å; A48-I64 HydrophobicContact CB-CG2 4.46Å; Q52-I64 HydrophobicContact CB-CD1 4.24Å; I64-D66 HydrophobicContact CG2-CB 4.12Å; I64-L83 WeakPolarHBondContact O-CD2 2.99Å
65Y98.8Very high96.5Very high24 Ų2451.7 Ų51.79%0.09427%0.267CS..EExtended strand (participates in β ladder)trans-107.4111.2159.4170.7-98.2000108.2I36 V37 T38 G67 N76 A79I36-Y65 PolarHBondContact O-N 2.83Å; V37-Y65 WeakPolarHBondContact CA-O 3.45Å; V37-Y65 HydrophobicContact CG1-CD1 4.09Å; T38-Y65 PolarHBondContact N-O 3.41Å; Y65-G67 PolarHBondContact OH-O 2.93Å; Y65-N76 VanDerWaalsContact OH-CA 3.28Å; Y65-N76 WeakPolarHBondContact OH-CA 3.28Å; Y65-N76 WeakPolarHBondContact OH-CB 3.34Å; Y65-N76 PolarHBondContact OH-ND2 3.05Å; Y65-N76 PolarHBondContact OH-O 3.47Å; Y65-A79 HydrophobicContact CE2-CB 3.85Å
66D98.5Very high96.6Very high50 Ų5052.4 Ų52.427%0.26727%0.271SS..  trans-109.912.5-178.773.6-29.3000113.1T38 D39 N40 T43 I64 T68T38-D66 HydrophobicContact CG2-CB 3.87Å; T38-D66 CarbonylContact O-C 3.52Å; T38-D66 WeakPolarHBondContact O-CA 3.23Å; D39-D66 CarbonylContact C-O 3.44Å; N40-D66 PolarHBondContact N-O 2.86Å; N40-D66 PolarHBondContact ND2-OD2 3.25Å; T43-D66 WeakPolarHBondContact OG1-CB 3.48Å; I64-D66 HydrophobicContact CG2-CB 4.12Å; D66-T68 PolarHBondContact O-N 3.49Å
67G98Very high96.7Very high36 Ų3645.9 Ų45.937%0.37124%0.24SC..BIsolated β-bridgetrans-78.55.8-177.700000114.6Y65 Q69 N76Y65-G67 PolarHBondContact OH-O 2.93Å; G67-Q69 PolarHBondContact O-N 3.48Å; G67-N76 PolarHBondContact O-ND2 3.13Å; G67-N76 VanDerWaalsContact O-ND2 3.11Å
68T97.7Very high96.8Very high8 Ų842.4 Ų42.45%0.04923%0.234CC..PPolyproline II helixtrans-70.6124.1-179.4-46.50000110.4T38 D66 P72 P100 C103T38-T68 WeakPolarHBondContact O-CB 3.27Å; T38-T68 PolarHBondContact O-N 2.9Å; T38-T68 PolarHBondContact O-OG1 2.82Å; D66-T68 PolarHBondContact O-N 3.49Å; T68-P72 HydrophobicContact CG2-CB 4.08Å; T68-P100 HydrophobicContact CG2-CG 4.31Å; T68-C103 HydrophobicContact CG2-CB 3.79Å
69Q93.6Very high97Very high81 Ų8141.9 Ų41.938%0.37924%0.241SC..PPolyproline II helixtrans-98.8160.5172.365.6-173.111.100111.3G67 N71 N76G67-Q69 PolarHBondContact O-N 3.48Å; Q69-N71 PolarHBondContact O-N 3.03Å; Q69-N76 WeakPolarHBondContact CG-OD1 3.43Å
70P91.4Very high97.2Very high93 Ų9334.8 Ų34.860%0.60420%0.203SC*.SBendtrans-50.9136.7165.7-25.335000110.4
71N91.4Very high97.3Very high13 Ų1335.3 Ų35.37%0.0721%0.206CC..SBendtrans61.167-173.6-53.6-46.3000112.2Q69 S99 T153 K160 N274Q69-N71 PolarHBondContact O-N 3.03Å; N71-S99 PolarHBondContact N-OG 3.33Å; N71-T153 PolarHBondContact O-OG1 2.98Å; N71-K160 VanDerWaalsContact OD1-CE 3.29Å; N71-K160 WeakPolarHBondContact OD1-CE 3.19Å; N71-K160 PolarHBondContact OD1-NZ 2.83Å; N71-N274 PolarHBondContact ND2-OD1 2.9Å
72P96.6Very high97.3Very high4 Ų437.2 Ų37.23%0.02621%0.214CC..  trans-57.3141.7-167.428.5-37000111.7T68 D102 C103 I152 T153T68-P72 HydrophobicContact CG2-CB 4.08Å; P72-D102 HydrophobicContact CG-CB 3.97Å; P72-C103 HydrophobicContact CB-CB 3.89Å; P72-I152 HydrophobicContact CB-CD1 4.37Å; P72-I152 HydrophobicContact CG-CD1 4.1Å; P72-I152 CarbonylContact O-C 3.55Å; P72-I152 WeakPolarHBondContact O-CA 3.32Å; P72-T153 PolarHBondContact O-N 3.24Å
73T96.5Very high97.4Very high2 Ų238.9 Ų38.91%0.01222%0.222CC..BIsolated β-bridgetrans-107167.4-169.873.80000112.6E75 N76 V77 T153 E155T73-E75 PolarHBondContact O-N 3.16Å; T73-E75 PolarHBondContact OG1-N 3.43Å; T73-N76 PolarHBondContact N-OD1 3.32Å; T73-N76 WeakPolarHBondContact O-CB 3.45Å; T73-N76 PolarHBondContact O-N 3.38Å; T73-N76 VanDerWaalsContact O-N 3.17Å; T73-N76 PolarHBondContact OG1-N 2.74Å; T73-N76 PolarHBondContact OG1-OD1 2.94Å; T73-V77 PolarHBondContact O-N 2.82Å; T73-V77 VanDerWaalsContact O-N 3.16Å; T73-T153 VanDerWaalsContact CA-O 3.31Å; T73-T153 WeakPolarHBondContact CA-O 3.48Å; T73-E155 WeakPolarHBondContact CB-OE2 3.46Å; T73-E155 VanDerWaalsContact CG2-CD 3.41Å; T73-E155 HydrophobicContact CG2-CG 3.8Å; T73-E155 VanDerWaalsContact CG2-OE2 3.27Å; T73-E155 WeakPolarHBondContact CG2-OE2 3.35Å; T73-E155 PolarHBondContact OG1-OE2 3.36Å
74T97.8Very high97.4Very high7 Ų738.2 Ų38.24%0.04322%0.218CC..Hα-helixtrans-56.5-31.7171.663.80000112.7V77 A78 I117 R118 I152 T153 D154 M161T74-V77 PolarHBondContact O-N 3.3Å; T74-A78 PolarHBondContact O-N 2.89Å; T74-I117 HydrophobicContact CG2-CG2 3.7Å; T74-R118 HydrophobicContact CG2-CG 4.26Å; T74-R118 PolarHBondContact OG1-NH2 3.44Å; T74-I152 HydrophobicContact CG2-CG2 3.88Å; T74-T153 PolarHBondContact N-O 3.1Å; T74-T153 VanDerWaalsContact N-O 3.14Å; T74-D154 HydrophobicContact CG2-CB 4.46Å; T74-M161 HydrophobicContact CG2-CE 3.54Å
75E97.8Very high97.4Very high126 Ų12642 Ų4259%0.58923%0.233SC*.Hα-helixtrans-73.8-37.7179-60.4176.117300111.5T73 V77 A78 A79T73-E75 PolarHBondContact O-N 3.16Å; T73-E75 PolarHBondContact OG1-N 3.43Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 3.4Å; E75-A78 PolarHBondContact O-N 3.23Å; E75-A79 WeakPolarHBondContact O-CB 3.44Å; E75-A79 PolarHBondContact O-N 2.95Å
76N98.3Very high97.3Very high15 Ų1546.5 Ų46.58%0.0825%0.254CS..Hα-helixtrans-59.8-44.3171.9-60.6141.5000111.4Y65 G67 Q69 T73 A79 G80Y65-N76 VanDerWaalsContact OH-CA 3.28Å; Y65-N76 WeakPolarHBondContact OH-CA 3.28Å; Y65-N76 WeakPolarHBondContact OH-CB 3.34Å; Y65-N76 PolarHBondContact OH-ND2 3.05Å; Y65-N76 PolarHBondContact OH-O 3.47Å; G67-N76 PolarHBondContact O-ND2 3.13Å; G67-N76 VanDerWaalsContact O-ND2 3.11Å; Q69-N76 WeakPolarHBondContact CG-OD1 3.43Å; T73-N76 PolarHBondContact N-OD1 3.32Å; T73-N76 WeakPolarHBondContact O-CB 3.45Å; T73-N76 PolarHBondContact O-N 3.38Å; T73-N76 VanDerWaalsContact O-N 3.17Å; T73-N76 PolarHBondContact OG1-N 2.74Å; T73-N76 PolarHBondContact OG1-OD1 2.94Å; N76-A79 PolarHBondContact O-N 3.26Å; N76-G80 PolarHBondContact O-N 2.88Å
77V98.7Very high97.4Very high2 Ų245.9 Ų45.91%0.01225%0.251CS..Hα-helixtrans-61.7-45.8177.2175.20000110.7T73 T74 E75 A79 L81 I107 V110 I117 I152T73-V77 PolarHBondContact O-N 2.82Å; T73-V77 VanDerWaalsContact O-N 3.16Å; T74-V77 PolarHBondContact O-N 3.3Å; E75-V77 VanDerWaalsContact C-N 3.31Å; E75-V77 PolarHBondContact O-N 3.4Å; V77-A79 PolarHBondContact O-N 3.19Å; V77-L81 WeakPolarHBondContact O-CB 3.18Å; V77-L81 PolarHBondContact O-N 3.12Å; V77-I107 HydrophobicContact CG1-CG1 4.16Å; V77-I107 WeakPolarHBondContact O-CG1 3.28Å; V77-V110 HydrophobicContact CG1-CG2 4.48Å; V77-I117 HydrophobicContact CG1-CB 4.07Å; V77-I117 HydrophobicContact CG1-CG1 4.29Å; V77-I117 HydrophobicContact CG1-CG2 4.48Å; V77-I117 HydrophobicContact CG2-CG1 4.45Å; V77-I152 HydrophobicContact CG2-CD1 3.74Å; V77-I152 HydrophobicContact CG2-CG1 4.36Å; V77-I152 HydrophobicContact CG2-CG2 4.45Å
78A98.5Very high97.4Very high55 Ų5550 Ų5046%0.45527%0.265SS..Hα-helixtrans-62.7-41.4178.100000112.7T74 E75 K82T74-A78 PolarHBondContact O-N 2.89Å; E75-A78 PolarHBondContact O-N 3.23Å; A78-K82 WeakPolarHBondContact O-CB 3.35Å; A78-K82 PolarHBondContact O-N 2.83Å
79A98.6Very high97.4Very high46 Ų4650.2 Ų50.238%0.3827%0.266SS..Hα-helixtrans-66.6-46.5178.800000112.1Y65 E75 N76 V77 K82 L83Y65-A79 HydrophobicContact CE2-CB 3.85Å; E75-A79 WeakPolarHBondContact O-CB 3.44Å; E75-A79 PolarHBondContact O-N 2.95Å; N76-A79 PolarHBondContact O-N 3.26Å; V77-A79 PolarHBondContact O-N 3.19Å; A79-K82 WeakPolarHBondContact O-CB 3.47Å; A79-K82 PolarHBondContact O-N 2.94Å; A79-L83 PolarHBondContact O-N 2.62Å
80G98.8Very high97.6Very high0 Ų048.6 Ų48.60%026%0.26CS..Hα-helixtrans-64.5-39.9175.500000112.4L35 N76 K82 L83 L84L35-G80 WeakPolarHBondContact CD2-O 3.21Å; N76-G80 PolarHBondContact O-N 2.88Å; G80-K82 VanDerWaalsContact C-N 3.31Å; G80-K82 PolarHBondContact O-N 3.21Å; G80-L83 PolarHBondContact O-N 3.03Å; G80-L84 WeakPolarHBondContact O-CB 3.38Å; G80-L84 PolarHBondContact O-N 2.93Å
81L98.8Very high97.9Very high17 Ų1744.2 Ų44.29%0.08923%0.232CC..Hα-helixtrans-63-36.6175.218064.5000112.5V77 L84 K85 I107 V110 A111V77-L81 WeakPolarHBondContact O-CB 3.18Å; V77-L81 PolarHBondContact O-N 3.12Å; L81-L84 WeakPolarHBondContact O-CB 3.32Å; L81-L84 PolarHBondContact O-N 3.2Å; L81-K85 HydrophobicContact CG-CD 4.39Å; L81-K85 WeakPolarHBondContact O-CG 3.36Å; L81-K85 PolarHBondContact O-N 3.14Å; L81-K85 VanDerWaalsContact O-N 3.1Å; L81-I107 HydrophobicContact CB-CG2 4.39Å; L81-I107 HydrophobicContact CD1-CG2 4.47Å; L81-V110 HydrophobicContact CD2-CB 4.12Å; L81-V110 HydrophobicContact CD2-CG1 3.44Å; L81-V110 VanDerWaalsContact CD2-CG1 3.44Å; L81-A111 HydrophobicContact CD1-CB 3.73Å
82K98.8Very high98.3Very high128 Ų12843.6 Ų43.656%0.55723%0.229SC*.Hα-helixtrans-61-49.6173.5178.8-178.2169.8-174.20110.5A78 A79 G80 L84 K85 E86A78-K82 WeakPolarHBondContact O-CB 3.35Å; A78-K82 PolarHBondContact O-N 2.83Å; A79-K82 WeakPolarHBondContact O-CB 3.47Å; A79-K82 PolarHBondContact O-N 2.94Å; G80-K82 VanDerWaalsContact C-N 3.31Å; G80-K82 PolarHBondContact O-N 3.21Å; K82-L84 VanDerWaalsContact C-N 3.33Å; K82-L84 PolarHBondContact O-N 3.18Å; K82-K85 PolarHBondContact O-N 2.73Å; K82-E86 WeakPolarHBondContact CE-OE1 3.29Å; K82-E86 HydrophobicContact CG-CG 4.41Å; K82-E86 IonicContact NZ-OE1 3.84Å; K82-E86 WeakPolarHBondContact O-CG 3.32Å; K82-E86 PolarHBondContact O-N 2.53Å
83L98.7Very high98.4Very high44 Ų4443.7 Ų43.723%0.2323%0.229CC..Hα-helixtrans-62.9-39.5179.5-168.167.5000112.2L35 V63 I64 A79 G80 K85 E86 N87L35-L83 HydrophobicContact CD1-CB 4.46Å; L35-L83 HydrophobicContact CD1-CD2 3.85Å; L35-L83 HydrophobicContact CD1-CG 4.24Å; V63-L83 HydrophobicContact CG2-CG 4.44Å; I64-L83 WeakPolarHBondContact O-CD2 2.99Å; A79-L83 PolarHBondContact O-N 2.62Å; G80-L83 PolarHBondContact O-N 3.03Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 3.34Å; L83-E86 PolarHBondContact O-N 3.25Å; L83-N87 WeakPolarHBondContact CD1-ND2 3.17Å; L83-N87 WeakPolarHBondContact O-CB 3.23Å; L83-N87 PolarHBondContact O-N 3.47Å; L83-N87 VanDerWaalsContact O-N 3.15Å; L83-N87 PolarHBondContact O-ND2 2.8Å
84L98.8Very high98.5Very high9 Ų943.6 Ų43.65%0.04723%0.228CC..Hα-helixtrans-53.7-50.2173.4-172.8146.6000111.3L35 G80 L81 K82 N88 C89 V92 I107 A111 L131L35-L84 HydrophobicContact CB-CD1 4.49Å; L35-L84 HydrophobicContact CD2-CB 3.95Å; L35-L84 HydrophobicContact CD2-CD1 4.22Å; G80-L84 WeakPolarHBondContact O-CB 3.38Å; G80-L84 PolarHBondContact O-N 2.93Å; L81-L84 WeakPolarHBondContact O-CB 3.32Å; L81-L84 PolarHBondContact O-N 3.2Å; K82-L84 VanDerWaalsContact C-N 3.33Å; K82-L84 PolarHBondContact O-N 3.18Å; L84-N88 PolarHBondContact O-N 3.01Å; L84-N88 VanDerWaalsContact O-N 3.14Å; L84-C89 HydrophobicContact CG-CB 4.09Å; L84-C89 PolarHBondContact O-N 3.02Å; L84-V92 HydrophobicContact CD1-CG2 3.69Å; L84-I107 HydrophobicContact CB-CG2 4.39Å; L84-I107 HydrophobicContact CD1-CG2 3.54Å; L84-A111 HydrophobicContact CD1-CB 4.22Å; L84-A111 HydrophobicContact CD2-CB 4.04Å; L84-L131 HydrophobicContact CD1-CD2 3.91Å; L84-L131 HydrophobicContact CD2-CD2 4.33Å
85K98.5Very high98.5Very high123 Ų12343.2 Ų43.254%0.53523%0.226SC..Hα-helixtrans-69.4-45.6-177.8-72.9175.6178.51750112.2L81 K82 L83 N87 N88L81-K85 HydrophobicContact CG-CD 4.39Å; L81-K85 WeakPolarHBondContact O-CG 3.36Å; L81-K85 PolarHBondContact O-N 3.14Å; L81-K85 VanDerWaalsContact O-N 3.1Å; K82-K85 PolarHBondContact O-N 2.73Å; L83-K85 VanDerWaalsContact C-N 3.34Å; L83-K85 PolarHBondContact O-N 3.34Å; K85-N87 PolarHBondContact O-N 3.27Å; K85-N88 PolarHBondContact O-N 3.15Å; K85-N88 VanDerWaalsContact O-N 3.11Å
86E98.6Very high98.6Very high117 Ų11737.2 Ų37.255%0.54720%0.198SC..Hα-helixtrans-59.3-31.6179.4-74.3175.1165.500112.3K82 L83K82-E86 WeakPolarHBondContact CE-OE1 3.29Å; K82-E86 HydrophobicContact CG-CG 4.41Å; K82-E86 IonicContact NZ-OE1 3.84Å; K82-E86 WeakPolarHBondContact O-CG 3.32Å; K82-E86 PolarHBondContact O-N 2.53Å; L83-E86 PolarHBondContact O-N 3.25Å
87N98.6Very high98.5Very high37 Ų3737 Ų3720%0.19820%0.199CC..THydrogen-bonded Turntrans-99.43.7-179.8-69.3-80.1000113.9R33 V63 L83 K85 C89R33-N87 VanDerWaalsContact CZ-O 3.25Å; R33-N87 PolarHBondContact NE-O 3.42Å; R33-N87 PolarHBondContact NH2-O 3.3Å; V63-N87 HydrophobicContact CG1-CB 4.23Å; V63-N87 HydrophobicContact CG2-CB 3.85Å; L83-N87 WeakPolarHBondContact CD1-ND2 3.17Å; L83-N87 WeakPolarHBondContact O-CB 3.23Å; L83-N87 PolarHBondContact O-N 3.47Å; L83-N87 VanDerWaalsContact O-N 3.15Å; L83-N87 PolarHBondContact O-ND2 2.8Å; K85-N87 PolarHBondContact O-N 3.27Å; N87-C89 VanDerWaalsContact C-N 3.28Å; N87-C89 PolarHBondContact O-N 2.84Å
88N98.1Very high98.4Very high124 Ų12437.4 Ų37.466%0.66320%0.203SC*.THydrogen-bonded Turntrans50.545.5-178.1-55.9-70.1000112.7R33 L84 K85R33-N88 WeakPolarHBondContact CD-O 3.5Å; L84-N88 PolarHBondContact O-N 3.01Å; L84-N88 VanDerWaalsContact O-N 3.14Å; K85-N88 PolarHBondContact O-N 3.15Å; K85-N88 VanDerWaalsContact O-N 3.11Å
89C98.6Very high98.4Very high11 Ų1136.3 Ų36.37%0.07419%0.192CC..  trans-71.6139177.4-56.80000110.9R33 L35 L84 N87R33-C89 CarbonylContact O-C 3.41Å; R33-C89 WeakPolarHBondContact O-CA 3.41Å; R33-C89 WeakPolarHBondContact O-CB 3.21Å; L35-C89 HydrophobicContact CB-CB 4.36Å; L84-C89 HydrophobicContact CG-CB 4.09Å; L84-C89 PolarHBondContact O-N 3.02Å; N87-C89 VanDerWaalsContact C-N 3.28Å; N87-C89 PolarHBondContact O-N 2.84Å
90D97.8Very high98.4Very high48 Ų4834.3 Ų34.326%0.25718%0.175SC..SBendtrans-101.3-4179.359.121000113.2T32 R33 L131T32-D90 PolarHBondContact N-OD1 3.37Å; T32-D90 PolarHBondContact N-OD2 2.85Å; T32-D90 PolarHBondContact OG1-OD2 3.22Å; R33-D90 PolarHBondContact N-OD1 2.74Å; R33-D90 VanDerWaalsContact N-OD1 3.16Å; R33-D90 PolarHBondContact N-OD2 3.11Å; R33-D90 PolarHBondContact O-N 2.97Å; D90-L131 WeakPolarHBondContact O-CD1 3.27Å; D90-L131 WeakPolarHBondContact O-CG 3.29Å
91S98Very high98.4Very high1 Ų134.3 Ų34.31%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-153.4166-178.855.10000111.8R33 T34 L35 P132R33-S91 PolarHBondContact O-N 2.91Å; T34-S91 WeakPolarHBondContact CA-O 3.14Å; T34-S91 WeakPolarHBondContact CB-OG 3.47Å; T34-S91 PolarHBondContact OG1-O 2.95Å; T34-S91 PolarHBondContact OG1-OG 3.15Å; L35-S91 PolarHBondContact N-O 3.3Å; S91-P132 CarbonylContact C-O 3.57Å; S91-P132 VanDerWaalsContact CA-O 3.29Å; S91-P132 WeakPolarHBondContact CA-O 3.09Å; S91-P132 WeakPolarHBondContact CB-O 3.1Å
92V98.7Very high98.4Very high0 Ų034.3 Ų34.30%018%0.176CC..EExtended strand (participates in β ladder)trans-127.3136.3175.5-174.20000109.9L35 V37 L84 A104 A108 L131 P132 M133 I134L35-V92 CarbonylContact O-C 3.55Å; L35-V92 WeakPolarHBondContact O-CA 3.28Å; V37-V92 HydrophobicContact CG2-CG1 3.83Å; L84-V92 HydrophobicContact CD1-CG2 3.69Å; V92-A104 HydrophobicContact CG1-CB 3.78Å; V92-A108 HydrophobicContact CB-CB 4.39Å; V92-A108 HydrophobicContact CG2-CB 3.93Å; V92-L131 HydrophobicContact CG2-CD2 4.18Å; V92-P132 PolarHBondContact N-O 3.4Å; V92-M133 HydrophobicContact CB-CG 4.44Å; V92-M133 CarbonylContact O-C 3.34Å; V92-M133 VanDerWaalsContact O-CA 3.26Å; V92-M133 WeakPolarHBondContact O-CA 3.34Å; V92-I134 PolarHBondContact O-N 2.81Å
93I98.6Very high98.4Very high5 Ų528.2 Ų28.23%0.02615%0.149CC..EExtended strand (participates in β ladder)trans-115.9118.7167.8-67.6173.1000107.6M26 T34 L35 I36 V37 L55 I134 I136M26-I93 HydrophobicContact SD-CD1 3.81Å; M26-I93 HydrophobicContact SD-CG1 4.45Å; T34-I93 HydrophobicContact CG2-CD1 3.84Å; T34-I93 HydrophobicContact CG2-CG1 4.41Å; L35-I93 PolarHBondContact O-N 3.03Å; I36-I93 CarbonylContact C-O 3.6Å; I36-I93 VanDerWaalsContact CA-O 3.26Å; I36-I93 WeakPolarHBondContact CA-O 3.29Å; I36-I93 HydrophobicContact CG1-CB 4.48Å; V37-I93 PolarHBondContact N-O 2.72Å; L55-I93 HydrophobicContact CD1-CD1 3.68Å; L55-I93 HydrophobicContact CD2-CD1 3.75Å; L55-I93 HydrophobicContact CG-CD1 4.33Å; I93-I134 CarbonylContact C-O 3.55Å; I93-I134 VanDerWaalsContact CA-O 3.29Å; I93-I134 WeakPolarHBondContact CA-O 3.37Å; I93-I134 HydrophobicContact CG1-CB 4.28Å; I93-I136 HydrophobicContact CG2-CD1 3.6Å; I93-I136 HydrophobicContact CG2-CG1 4.25Å
94S98.9Very high98.4Very high0 Ų026.1 Ų26.10%014%0.138CC..EExtended strand (participates in β ladder)trans-87.1136.7165.2600000110.3V37 H101 M133 I134 A135 I136V37-S94 CarbonylContact O-C 3.57Å; V37-S94 WeakPolarHBondContact O-CA 3.43Å; S94-H101 WeakPolarHBondContact CB-ND1 3.43Å; S94-H101 PolarHBondContact OG-ND1 3Å; S94-M133 VanDerWaalsContact OG-CE 3.32Å; S94-M133 WeakPolarHBondContact OG-CE 3.17Å; S94-I134 PolarHBondContact N-O 3.46Å; S94-A135 VanDerWaalsContact OG-CA 3.27Å; S94-A135 WeakPolarHBondContact OG-CA 3.5Å; S94-A135 WeakPolarHBondContact OG-CB 3.49Å; S94-I136 PolarHBondContact O-N 2.97Å
95L98.8Very high98.4Very high0 Ų025.7 Ų25.70%014%0.136CC..EExtended strand (participates in β ladder)trans-128.6113.9174.217467.7000108.8I36 V37 T38 L42 M47 A48 V51 P100 I136 T138I36-L95 HydrophobicContact CG2-CB 4.3Å; V37-L95 PolarHBondContact O-N 3.34Å; T38-L95 WeakPolarHBondContact CA-O 3.13Å; T38-L95 VanDerWaalsContact CB-O 3.28Å; T38-L95 WeakPolarHBondContact CB-O 3.22Å; T38-L95 PolarHBondContact OG1-O 2.88Å; L42-L95 HydrophobicContact CD1-CG 4.33Å; M47-L95 HydrophobicContact CG-CD1 4.39Å; M47-L95 HydrophobicContact CG-CD2 4.16Å; M47-L95 HydrophobicContact SD-CD1 4.04Å; A48-L95 HydrophobicContact CB-CD2 4.07Å; V51-L95 HydrophobicContact CB-CD2 4.48Å; V51-L95 HydrophobicContact CG2-CD1 4.3Å; V51-L95 HydrophobicContact CG2-CD2 4.05Å; L95-P100 WeakPolarHBondContact O-CB 3.44Å; L95-I136 WeakPolarHBondContact CA-O 3.43Å; L95-I136 HydrophobicContact CD1-CB 3.94Å; L95-I136 HydrophobicContact CD1-CG2 3.66Å; L95-T138 HydrophobicContact CD1-CG2 3.95Å
96G98.4Very high98.4Very high0 Ų019.9 Ų19.90%011%0.111CC..EExtended strand (participates in β ladder)trans149.4-145.7174.700000114H101 I136 N137 T138G96-H101 PolarHBondContact O-NE2 3.41Å; G96-I136 PolarHBondContact N-O 3.12Å; G96-I136 VanDerWaalsContact N-O 3.1Å; G96-N137 CarbonylContact O-C 3.59Å; G96-N137 WeakPolarHBondContact O-CA 3.22Å; G96-N137 PolarHBondContact O-OD1 2.93Å; G96-T138 WeakPolarHBondContact CA-OG1 3.38Å; G96-T138 PolarHBondContact O-N 2.87Å; G96-T138 PolarHBondContact O-OG1 3.01Å
97G97.4Very high98.4Very high9 Ų914.3 Ų14.39%0.0939%0.085CC..SBendtrans-95.8-161.5170.100000112S99 P100 H101 T139G97-S99 PolarHBondContact O-N 3.1Å; G97-S99 VanDerWaalsContact O-N 3.13Å; G97-P100 VanDerWaalsContact O-CD 3.27Å; G97-P100 WeakPolarHBondContact O-CD 3.46Å; G97-H101 PolarHBondContact O-CD2 3.49Å; G97-H101 PolarHBondContact O-N 3.33Å; G97-T139 WeakPolarHBondContact CA-OG1 3.38Å
98G97.5Very high98.4Very high11 Ų1112.5 Ų12.511%0.1138%0.075CC..Hα-helixtrans-54.9-34.1-177.600000115.2H101 D102 T142G98-H101 PolarHBondContact O-N 3.39Å; G98-D102 WeakPolarHBondContact O-CB 3.31Å; G98-D102 PolarHBondContact O-N 3.29Å; G98-T142 WeakPolarHBondContact CA-OG1 3.26Å; G98-T142 PolarHBondContact N-OG1 3.4Å
99S97.5Very high98.5Very high32 Ų326.6 Ų6.622%0.2244%0.044CC..Hα-helixtrans-65.3-52.7-179.2-61.40000113N71 G97 H101 D102 C103N71-S99 PolarHBondContact N-OG 3.33Å; G97-S99 PolarHBondContact O-N 3.1Å; G97-S99 VanDerWaalsContact O-N 3.13Å; S99-H101 VanDerWaalsContact C-N 3.32Å; S99-H101 PolarHBondContact O-N 3.07Å; S99-D102 PolarHBondContact O-N 3.4Å; S99-C103 WeakPolarHBondContact O-CB 3.47Å; S99-C103 PolarHBondContact O-N 2.87Å
100P98.7Very high98.5Very high4 Ų46.3 Ų6.33%0.0264%0.041CC..Hα-helixtrans-55.7-39.7168.4-32.738.2000114.9D39 T68 L95 G97 A104D39-P100 HydrophobicContact CB-CG 4.39Å; T68-P100 HydrophobicContact CG2-CG 4.31Å; L95-P100 WeakPolarHBondContact O-CB 3.44Å; G97-P100 VanDerWaalsContact O-CD 3.27Å; G97-P100 WeakPolarHBondContact O-CD 3.46Å; P100-A104 VanDerWaalsContact O-CB 3.22Å; P100-A104 WeakPolarHBondContact O-CB 3.49Å; P100-A104 PolarHBondContact O-N 3.09Å
101H98.9Very high98.5Very high0 Ų05.6 Ų5.60%04%0.042CC..Hα-helixtrans-62-49.9178-60.7-37.2000112.2S94 G96 G97 G98 S99 A104 K105 I136S94-H101 WeakPolarHBondContact CB-ND1 3.43Å; S94-H101 PolarHBondContact OG-ND1 3Å; G96-H101 PolarHBondContact O-NE2 3.41Å; G97-H101 PolarHBondContact O-CD2 3.49Å; G97-H101 PolarHBondContact O-N 3.33Å; G98-H101 PolarHBondContact O-N 3.39Å; S99-H101 VanDerWaalsContact C-N 3.32Å; S99-H101 PolarHBondContact O-N 3.07Å; H101-A104 PolarHBondContact O-N 3.35Å; H101-K105 VanDerWaalsContact O-CG 3.32Å; H101-K105 WeakPolarHBondContact O-CG 3.4Å; H101-K105 PolarHBondContact O-N 3Å; H101-I136 PolarHBondContact CE1-O 3.44Å
102D98.7Very high98.5Very high18 Ų187.1 Ų7.110%0.0966%0.055CC..Hα-helixtrans-66.7-40.3-179.8-70.3-15.8000111.4P72 G98 S99 A104 K105 G106 S144 C150 I151 I152P72-D102 HydrophobicContact CG-CB 3.97Å; G98-D102 WeakPolarHBondContact O-CB 3.31Å; G98-D102 PolarHBondContact O-N 3.29Å; S99-D102 PolarHBondContact O-N 3.4Å; D102-A104 VanDerWaalsContact C-N 3.34Å; D102-A104 PolarHBondContact O-N 2.93Å; D102-K105 PolarHBondContact O-N 2.78Å; D102-K105 IonicContact OD1-NZ 3.71Å; D102-G106 PolarHBondContact O-N 3.33Å; D102-S144 PolarHBondContact OD1-OG 2.87Å; D102-C150 PolarHBondContact O-SG 3.4Å; D102-I151 WeakPolarHBondContact OD2-CB 3.35Å; D102-I151 PolarHBondContact OD2-N 2.8Å; D102-I152 HydrophobicContact CB-CD1 4.4Å
103C98.8Very high98.5Very high0 Ų08.8 Ų8.80%06%0.064CC..Hα-helixtrans-59.1-46.2174.1-170.70000111.4V37 T68 P72 S99 G106 I107V37-C103 HydrophobicContact CG1-CB 4.05Å; T68-C103 HydrophobicContact CG2-CB 3.79Å; P72-C103 HydrophobicContact CB-CB 3.89Å; S99-C103 WeakPolarHBondContact O-CB 3.47Å; S99-C103 PolarHBondContact O-N 2.87Å; C103-G106 PolarHBondContact O-N 3.01Å; C103-I107 WeakPolarHBondContact O-CD1 3.26Å; C103-I107 VanDerWaalsContact O-CG1 3.27Å; C103-I107 WeakPolarHBondContact O-CG1 3.29Å; C103-I107 PolarHBondContact O-N 3.42Å
104A98.9Very high98.5Very high0 Ų010.1 Ų10.10%08%0.078CC..Hα-helixtrans-64.5-42.4178.700000113V37 V92 P100 H101 D102 G106 I107 A108 M133V37-A104 HydrophobicContact CB-CB 3.83Å; V37-A104 HydrophobicContact CG1-CB 3.95Å; V37-A104 HydrophobicContact CG2-CB 4.04Å; V92-A104 HydrophobicContact CG1-CB 3.78Å; P100-A104 VanDerWaalsContact O-CB 3.22Å; P100-A104 WeakPolarHBondContact O-CB 3.49Å; P100-A104 PolarHBondContact O-N 3.09Å; H101-A104 PolarHBondContact O-N 3.35Å; D102-A104 VanDerWaalsContact C-N 3.34Å; D102-A104 PolarHBondContact O-N 2.93Å; A104-G106 VanDerWaalsContact C-N 3.32Å; A104-G106 PolarHBondContact O-N 3.23Å; A104-I107 PolarHBondContact O-N 2.88Å; A104-A108 VanDerWaalsContact O-CB 3.32Å; A104-A108 WeakPolarHBondContact O-CB 3.45Å; A104-A108 PolarHBondContact O-N 3.44Å; A104-M133 HydrophobicContact CB-CE 3.52Å; A104-M133 HydrophobicContact CB-SD 4.13Å
105K98.9Very high98.5Very high0 Ų013.1 Ų13.10%011%0.109CC..Hα-helixtrans-57.8-46.2172.6-75169.3171.61720111H101 D102 I107 A108 L109 M133 S144 T147 F149 C150 V168H101-K105 VanDerWaalsContact O-CG 3.32Å; H101-K105 WeakPolarHBondContact O-CG 3.4Å; H101-K105 PolarHBondContact O-N 3Å; D102-K105 PolarHBondContact O-N 2.78Å; D102-K105 IonicContact OD1-NZ 3.71Å; K105-I107 PolarHBondContact O-N 3.06Å; K105-A108 PolarHBondContact O-N 2.99Å; K105-L109 WeakPolarHBondContact O-CB 3.44Å; K105-L109 PolarHBondContact O-N 3.37Å; K105-M133 HydrophobicContact CB-SD 4.34Å; K105-M133 HydrophobicContact CG-CE 3.87Å; K105-M133 HydrophobicContact CG-SD 3.67Å; K105-S144 WeakPolarHBondContact CE-O 3.46Å; K105-S144 PolarHBondContact NZ-O 2.88Å; K105-S144 PolarHBondContact NZ-OG 2.84Å; K105-T147 WeakPolarHBondContact CE-O 3.39Å; K105-T147 PolarHBondContact NZ-O 3.22Å; K105-T147 PolarHBondContact NZ-OG1 3.35Å; K105-F149 VanDerWaalsContact CD-O 3.28Å; K105-F149 WeakPolarHBondContact CD-O 3.28Å; K105-F149 PolarHBondContact NZ-O 3.35Å; K105-C150 HydrophobicContact CB-CB 3.98Å; K105-C150 HydrophobicContact CD-CB 4.24Å; K105-V168 HydrophobicContact CB-CB 4.21Å; K105-V168 HydrophobicContact CB-CG1 4.48Å; K105-V168 HydrophobicContact CD-CB 4.29Å; K105-V168 WeakPolarHBondContact CE-O 3.22Å; K105-V168 HydrophobicContact CG-CB 4.26Å; K105-V168 WeakPolarHBondContact CG-O 3.36Å
106G98.7Very high98.4Very high0 Ų015.8 Ų15.80%012%0.124CC..Hα-helixtrans-58.8-46.7175.900000112.2D102 C103 A104 V110D102-G106 PolarHBondContact O-N 3.33Å; C103-G106 PolarHBondContact O-N 3.01Å; A104-G106 VanDerWaalsContact C-N 3.32Å; A104-G106 PolarHBondContact O-N 3.23Å; G106-V110 WeakPolarHBondContact O-CB 3.32Å; G106-V110 VanDerWaalsContact O-CG2 3.23Å; G106-V110 WeakPolarHBondContact O-CG2 3.32Å; G106-V110 PolarHBondContact O-N 3.01Å; G106-V110 VanDerWaalsContact O-N 3.08Å
107I98.9Very high98.4Very high0 Ų016 Ų160%012%0.124CC..Hα-helixtrans-61.6-50.2177.6-67.7159.1000110.9L35 V37 V77 L81 L84 C103 A104 K105 L109 V110 A111L35-I107 HydrophobicContact CD2-CD1 4.35Å; L35-I107 HydrophobicContact CD2-CG2 4.01Å; V37-I107 HydrophobicContact CG1-CD1 4.27Å; V37-I107 HydrophobicContact CG2-CD1 3.72Å; V77-I107 HydrophobicContact CG1-CG1 4.16Å; V77-I107 WeakPolarHBondContact O-CG1 3.28Å; L81-I107 HydrophobicContact CB-CG2 4.39Å; L81-I107 HydrophobicContact CD1-CG2 4.47Å; L84-I107 HydrophobicContact CB-CG2 4.39Å; L84-I107 HydrophobicContact CD1-CG2 3.54Å; C103-I107 WeakPolarHBondContact O-CD1 3.26Å; C103-I107 VanDerWaalsContact O-CG1 3.27Å; C103-I107 WeakPolarHBondContact O-CG1 3.29Å; C103-I107 PolarHBondContact O-N 3.42Å; A104-I107 PolarHBondContact O-N 2.88Å; K105-I107 PolarHBondContact O-N 3.06Å; I107-L109 PolarHBondContact O-N 3.14Å; I107-V110 PolarHBondContact O-N 3.38Å; I107-A111 WeakPolarHBondContact O-CB 3.5Å; I107-A111 PolarHBondContact O-N 3.12Å
108A98.9Very high98.4Very high0 Ų019.7 Ų19.70%014%0.136CC..Hα-helixtrans-63.4-40.2-178.300000112.3V92 A104 K105 A112 Q130 L131V92-A108 HydrophobicContact CB-CB 4.39Å; V92-A108 HydrophobicContact CG2-CB 3.93Å; A104-A108 VanDerWaalsContact O-CB 3.32Å; A104-A108 WeakPolarHBondContact O-CB 3.45Å; A104-A108 PolarHBondContact O-N 3.44Å; K105-A108 PolarHBondContact O-N 2.99Å; A108-A112 PolarHBondContact O-N 2.93Å; A108-Q130 HydrophobicContact CB-CB 4.03Å; A108-Q130 HydrophobicContact CB-CG 4.22Å; A108-L131 HydrophobicContact CB-CB 4.22Å; A108-L131 PolarHBondContact O-N 3.24Å
109L98.8Very high98.5Very high0 Ų023.5 Ų23.50%015%0.154CC..Hα-helixtrans-65.6-49.6179-169.771.2000111.4K105 I107 A111 A112 N113 Y120 Q130 I163 H167 V168K105-L109 WeakPolarHBondContact O-CB 3.44Å; K105-L109 PolarHBondContact O-N 3.37Å; I107-L109 PolarHBondContact O-N 3.14Å; L109-A111 VanDerWaalsContact C-N 3.35Å; L109-A112 PolarHBondContact O-N 2.95Å; L109-N113 WeakPolarHBondContact O-CB 3.34Å; L109-N113 PolarHBondContact O-N 3.43Å; L109-N113 PolarHBondContact O-ND2 2.91Å; L109-N113 VanDerWaalsContact O-ND2 3.11Å; L109-Y120 HydrophobicContact CD2-CD1 3.97Å; L109-Y120 HydrophobicContact CD2-CD2 4.13Å; L109-Y120 HydrophobicContact CD2-CG 3.66Å; L109-Y120 HydrophobicContact CG-CD1 4.44Å; L109-Y120 HydrophobicContact CG-CG 4.42Å; L109-Q130 HydrophobicContact CB-CB 4.44Å; L109-Q130 HydrophobicContact CD1-CB 4.23Å; L109-I163 HydrophobicContact CD2-CG2 4.16Å; L109-H167 HydrophobicContact CD1-CB 4.29Å; L109-V168 HydrophobicContact CB-CG1 4.22Å; L109-V168 HydrophobicContact CD1-CG1 3.88Å; L109-V168 HydrophobicContact CD2-CG1 3.79Å; L109-V168 HydrophobicContact CG-CG1 4.18Å
110V98.8Very high98.5Very high4 Ų422.9 Ų22.92%0.02415%0.146CC..Hα-helixtrans-69.4-33.9-179.9-1790000110.9V77 L81 G106 I107 A112 G114 G115 I117 Y120V77-V110 HydrophobicContact CG1-CG2 4.48Å; L81-V110 HydrophobicContact CD2-CB 4.12Å; L81-V110 HydrophobicContact CD2-CG1 3.44Å; L81-V110 VanDerWaalsContact CD2-CG1 3.44Å; G106-V110 WeakPolarHBondContact O-CB 3.32Å; G106-V110 VanDerWaalsContact O-CG2 3.23Å; G106-V110 WeakPolarHBondContact O-CG2 3.32Å; G106-V110 PolarHBondContact O-N 3.01Å; G106-V110 VanDerWaalsContact O-N 3.08Å; I107-V110 PolarHBondContact O-N 3.38Å; V110-A112 VanDerWaalsContact C-N 3.29Å; V110-A112 PolarHBondContact O-N 3.32Å; V110-G114 WeakPolarHBondContact O-CA 3.35Å; V110-G114 PolarHBondContact O-N 3.3Å; V110-G115 WeakPolarHBondContact CG1-O 3.41Å; V110-I117 HydrophobicContact CG2-CB 3.99Å; V110-I117 HydrophobicContact CG2-CD1 3.81Å; V110-I117 HydrophobicContact CG2-CG1 4.49Å; V110-Y120 HydrophobicContact CG2-CD2 4.24Å; V110-Y120 HydrophobicContact CG2-CE2 3.97Å
111A98.7Very high98.3Very high33 Ų3325.7 Ų25.727%0.27316%0.159SC..Hα-helixtrans-58.4-40.4174.200000112.3L81 L84 I107 L109 L131L81-A111 HydrophobicContact CD1-CB 3.73Å; L84-A111 HydrophobicContact CD1-CB 4.22Å; L84-A111 HydrophobicContact CD2-CB 4.04Å; I107-A111 WeakPolarHBondContact O-CB 3.5Å; I107-A111 PolarHBondContact O-N 3.12Å; L109-A111 VanDerWaalsContact C-N 3.35Å; A111-L131 HydrophobicContact CB-CB 4.49Å; A111-L131 HydrophobicContact CB-CD2 4.47Å
112A98.3Very high97.9Very high33 Ų3327 Ų2727%0.27317%0.173SC..Hα-helixtrans-85.3-31.2-17800000114.4A108 L109 V110 P129A108-A112 PolarHBondContact O-N 2.93Å; L109-A112 PolarHBondContact O-N 2.95Å; V110-A112 VanDerWaalsContact C-N 3.29Å; V110-A112 PolarHBondContact O-N 3.32Å; A112-P129 VanDerWaalsContact CB-O 3.25Å; A112-P129 WeakPolarHBondContact CB-O 3.32Å
113N98.6Very high97.7Very high36 Ų3630.4 Ų30.419%0.19319%0.194CC..Hα-helixtrans-106.5-17.3-172.8-69.4-88.4000114L109 Y120 A127 K128L109-N113 WeakPolarHBondContact O-CB 3.34Å; L109-N113 PolarHBondContact O-N 3.43Å; L109-N113 PolarHBondContact O-ND2 2.91Å; L109-N113 VanDerWaalsContact O-ND2 3.11Å; N113-Y120 HydrophobicContact CB-CE1 3.8Å; N113-Y120 WeakPolarHBondContact CB-OH 3.45Å; N113-Y120 PolarHBondContact O-OH 3.09Å; N113-A127 PolarHBondContact OD1-N 2.99Å; N113-K128 PolarHBondContact ND2-O 3.15Å; N113-K128 WeakPolarHBondContact OD1-CB 3.13Å; N113-K128 PolarHBondContact OD1-N 3.02Å; N113-K128 PolarHBondContact OD1-O 2.81Å
114G98.2Very high97.5Very high32 Ų3233.8 Ų33.833%0.3321%0.212SC..  trans79.9-164.3-175.300000113.1V110 Y120V110-G114 WeakPolarHBondContact O-CA 3.35Å; V110-G114 PolarHBondContact O-N 3.3Å; G114-Y120 WeakPolarHBondContact O-CE2 3.48Å; G114-Y120 PolarHBondContact O-OH 2.86Å
115G97.7Very high97.5Very high63 Ų6341.5 Ų41.565%0.64924%0.241SC*.SBendtrans70.9-157.9177.600000114.7V110 D119V110-G115 WeakPolarHBondContact CG1-O 3.41Å; G115-D119 WeakPolarHBondContact CA-OD2 3.36Å
116D98Very high97.5Very high57 Ų5742 Ų4231%0.30525%0.245SC..  trans-106.6153.5173.8-171.8-95000110.3R118 D119 Y120D116-R118 PolarHBondContact O-N 3.15Å; D116-R118 VanDerWaalsContact O-N 3.15Å; D116-R118 VanDerWaalsContact OD1-CB 3.22Å; D116-R118 WeakPolarHBondContact OD1-CB 3.31Å; D116-R118 WeakPolarHBondContact OD1-CD 3.26Å; D116-R118 WeakPolarHBondContact OD1-CG 3.45Å; D116-R118 IonicContact OD1-CZ 3.34Å; D116-R118 PolarHBondContact OD1-N 3.35Å; D116-R118 IonicContact OD1-NH1 3.9Å; D116-R118 PolarHBondContact OD1-NH1 3.42Å; D116-R118 IonicContact OD2-NH1 3.63Å; D116-R118 PolarHBondContact OD2-NH1 3.04Å; D116-D119 PolarHBondContact N-OD2 3.06Å; D116-D119 VanDerWaalsContact O-CB 3.29Å; D116-D119 WeakPolarHBondContact O-CB 3.34Å; D116-D119 PolarHBondContact O-N 2.84Å; D116-Y120 WeakPolarHBondContact O-CD2 3.3Å; D116-Y120 WeakPolarHBondContact O-CE2 3Å
117I98.3Very high97.4Very high3 Ų346.3 Ų46.32%0.01528%0.28CS..G310 helixtrans-59.4-28.7178.7-171.357.9000112.6T74 V77 V110 D119 Y120 I152 M161 I163T74-I117 HydrophobicContact CG2-CG2 3.7Å; V77-I117 HydrophobicContact CG1-CB 4.07Å; V77-I117 HydrophobicContact CG1-CG1 4.29Å; V77-I117 HydrophobicContact CG1-CG2 4.48Å; V77-I117 HydrophobicContact CG2-CG1 4.45Å; V110-I117 HydrophobicContact CG2-CB 3.99Å; V110-I117 HydrophobicContact CG2-CD1 3.81Å; V110-I117 HydrophobicContact CG2-CG1 4.49Å; I117-D119 PolarHBondContact O-N 3.17Å; I117-Y120 PolarHBondContact O-N 3.44Å; I117-I152 HydrophobicContact CG1-CG1 4.08Å; I117-I152 HydrophobicContact CG2-CG2 4.43Å; I117-M161 HydrophobicContact CG2-CE 4.27Å; I117-I163 HydrophobicContact CD1-CD1 3.44Å; I117-I163 VanDerWaalsContact CD1-CD1 3.44Å; I117-I163 HydrophobicContact CG1-CD1 3.77Å
118R97.7Very high97.4Very high87 Ų8752.5 Ų52.533%0.32831%0.307SS..G310 helixtrans-63.6-25.8175.6-65.5171.3-174.189.2-2.9113.2T74 D116 Y120 E121 D154 M161T74-R118 HydrophobicContact CG2-CG 4.26Å; T74-R118 PolarHBondContact OG1-NH2 3.44Å; D116-R118 PolarHBondContact O-N 3.15Å; D116-R118 VanDerWaalsContact O-N 3.15Å; D116-R118 VanDerWaalsContact OD1-CB 3.22Å; D116-R118 WeakPolarHBondContact OD1-CB 3.31Å; D116-R118 WeakPolarHBondContact OD1-CD 3.26Å; D116-R118 WeakPolarHBondContact OD1-CG 3.45Å; D116-R118 IonicContact OD1-CZ 3.34Å; D116-R118 PolarHBondContact OD1-N 3.35Å; D116-R118 IonicContact OD1-NH1 3.9Å; D116-R118 PolarHBondContact OD1-NH1 3.42Å; D116-R118 IonicContact OD2-NH1 3.63Å; D116-R118 PolarHBondContact OD2-NH1 3.04Å; R118-Y120 PolarHBondContact O-N 3.23Å; R118-Y120 VanDerWaalsContact O-N 3.14Å; R118-E121 PolarHBondContact O-N 3.31Å; R118-D154 IonicContact CZ-OD1 3.93Å; R118-D154 IonicContact NE-OD1 2.77Å; R118-D154 IonicContact NE-OD2 3.55Å; R118-D154 PolarHBondContact NE-OD2 3.09Å; R118-D154 VanDerWaalsContact NE-OD2 3.11Å; R118-D154 IonicContact NH2-OD1 3.46Å; R118-D154 PolarHBondContact NH2-OD1 2.77Å; R118-M161 HydrophobicContact CB-SD 4.21Å; R118-M161 HydrophobicContact CG-CE 3.98Å; R118-M161 HydrophobicContact CG-SD 3.7Å
119D97.8Very high97.3Very high92 Ų9256.6 Ų56.649%0.49233%0.334SS..G310 helixtrans-64.9-19.4-179.9-62.4-30.9000112.2G115 D116 I117G115-D119 WeakPolarHBondContact CA-OD2 3.36Å; D116-D119 PolarHBondContact N-OD2 3.06Å; D116-D119 VanDerWaalsContact O-CB 3.29Å; D116-D119 WeakPolarHBondContact O-CB 3.34Å; D116-D119 PolarHBondContact O-N 2.84Å; I117-D119 PolarHBondContact O-N 3.17Å
120Y98.1Very high97.3Very high18 Ų1857.4 Ų57.47%0.07134%0.338CS..G310 helixtrans-100.3-0.4-176.3-54.5-77.2000113.8L109 V110 N113 G114 D116 I117 R118 G122 R125 I163L109-Y120 HydrophobicContact CD2-CD1 3.97Å; L109-Y120 HydrophobicContact CD2-CD2 4.13Å; L109-Y120 HydrophobicContact CD2-CG 3.66Å; L109-Y120 HydrophobicContact CG-CD1 4.44Å; L109-Y120 HydrophobicContact CG-CG 4.42Å; V110-Y120 HydrophobicContact CG2-CD2 4.24Å; V110-Y120 HydrophobicContact CG2-CE2 3.97Å; N113-Y120 HydrophobicContact CB-CE1 3.8Å; N113-Y120 WeakPolarHBondContact CB-OH 3.45Å; N113-Y120 PolarHBondContact O-OH 3.09Å; G114-Y120 WeakPolarHBondContact O-CE2 3.48Å; G114-Y120 PolarHBondContact O-OH 2.86Å; D116-Y120 WeakPolarHBondContact O-CD2 3.3Å; D116-Y120 WeakPolarHBondContact O-CE2 3Å; I117-Y120 PolarHBondContact O-N 3.44Å; R118-Y120 PolarHBondContact O-N 3.23Å; R118-Y120 VanDerWaalsContact O-N 3.14Å; Y120-G122 PolarHBondContact O-N 2.82Å; Y120-R125 HydrophobicContact CD1-CB 4.36Å; Y120-I163 WeakPolarHBondContact O-CG2 3.41Å
121E94.9Very high97.2Very high64 Ų6458.9 Ų58.930%0.29935%0.345SS..  trans-57.3130.9174.1-175.8175.9-163.600110.7R118 R157 M161R118-E121 PolarHBondContact O-N 3.31Å; E121-R157 IonicContact OE1-NH1 3.11Å; E121-R157 IonicContact OE2-CZ 3.5Å; E121-R157 VanDerWaalsContact OE2-CZ 3.3Å; E121-R157 IonicContact OE2-NH1 2.74Å; E121-R157 PolarHBondContact OE2-NH1 2.65Å; E121-R157 IonicContact OE2-NH2 2.97Å; E121-R157 PolarHBondContact OE2-NH2 2.95Å; E121-M161 HydrophobicContact CB-CB 4.48Å; E121-M161 HydrophobicContact CB-SD 4.43Å; E121-M161 HydrophobicContact CG-CB 4.07Å; E121-M161 HydrophobicContact CG-CG 4.38Å
122G91Very high97.1Very high28 Ų2859.1 Ų59.129%0.28934%0.344SS..EExtended strand (participates in β ladder)trans111.2-152.5-175.500000113.5Y120 A162 V164Y120-G122 PolarHBondContact O-N 2.82Å; G122-A162 PolarHBondContact N-O 3.36Å; G122-V164 PolarHBondContact O-N 3.1Å
123V93.8Very high97.1Very high89 Ų8957.6 Ų57.654%0.53933%0.331SS..EExtended strand (participates in β ladder)trans-110.2126.7-170.6-174.50000111.2R125 V164V123-R125 VanDerWaalsContact C-N 3.3Å; V123-R125 PolarHBondContact O-N 2.98Å; V123-V164 CarbonylContact C-O 3.56Å; V123-V164 VanDerWaalsContact CA-O 3.31Å; V123-V164 WeakPolarHBondContact CA-O 3.26Å; V123-V164 HydrophobicContact CG2-CB 4.26Å
124D95.6Very high97.1Very high71 Ų7155.9 Ų55.938%0.3832%0.322SS..SBendtrans45.850.2172.8-64.3-51.2000113.2R148 V164 D165 K166D124-R148 IonicContact OD1-NH2 2.91Å; D124-R148 PolarHBondContact OD1-NH2 3.13Å; D124-R148 IonicContact OD2-NH2 3.84Å; D124-R148 PolarHBondContact OD2-NH2 2.89Å; D124-V164 PolarHBondContact N-O 2.87Å; D124-D165 WeakPolarHBondContact OD1-CA 3.27Å; D124-K166 PolarHBondContact OD1-N 3.13Å
125R97.8Very high97.1Very high161 Ų16154.4 Ų54.461%0.60831%0.307SS*.  trans-81.7-26.7-175.5-62.4-64.2-66.1173.6-2.4112.9Y120 V123 D165Y120-R125 HydrophobicContact CD1-CB 4.36Å; V123-R125 VanDerWaalsContact C-N 3.3Å; V123-R125 PolarHBondContact O-N 2.98Å; R125-D165 PolarHBondContact N-OD2 3.4Å
126S98.2Very high97.2Very high11 Ų1151.4 Ų51.48%0.07728%0.276CS..  trans-75.4141.8-177.869.10000112.1D165 H167S126-D165 VanDerWaalsContact CB-OD2 3.23Å; S126-D165 WeakPolarHBondContact CB-OD2 3.37Å; S126-D165 PolarHBondContact N-OD2 2.89Å; S126-D165 PolarHBondContact OG-OD1 3.33Å; S126-D165 VanDerWaalsContact OG-OD1 3.12Å; S126-D165 PolarHBondContact OG-OD2 3.47Å; S126-H167 PolarHBondContact OG-ND1 3.19Å
127A97.6Very high97.2Very high90 Ų9048.7 Ų48.774%0.74426%0.261SS*.SBendtrans-85.4-27.4179.500000112.5N113N113-A127 PolarHBondContact OD1-N 2.99Å
128K98Very high97.2Very high130 Ų13049 Ų4957%0.56526%0.263SS*.SBendtrans-129152.1-174.1-57.2175-171.5170.90110.9N113 H167N113-K128 PolarHBondContact ND2-O 3.15Å; N113-K128 WeakPolarHBondContact OD1-CB 3.13Å; N113-K128 PolarHBondContact OD1-N 3.02Å; N113-K128 PolarHBondContact OD1-O 2.81Å; K128-H167 PolarHBondContact O-ND1 3.27Å
129P97.5Very high97.2Very high87 Ų8745.5 Ų45.557%0.56525%0.252SS*.PPolyproline II helixtrans-49.6145.9166.8-26.435.3000112.2A112A112-P129 VanDerWaalsContact CB-O 3.25Å; A112-P129 WeakPolarHBondContact CB-O 3.32Å
130Q98.2Very high97.3Very high17 Ų1741.2 Ų41.28%0.07923%0.229CC..PPolyproline II helixtrans-62.7165.217271.5-176.8-14.800111.7A108 L109 H167 V168 T169A108-Q130 HydrophobicContact CB-CB 4.03Å; A108-Q130 HydrophobicContact CB-CG 4.22Å; L109-Q130 HydrophobicContact CB-CB 4.44Å; L109-Q130 HydrophobicContact CD1-CB 4.23Å; Q130-H167 WeakPolarHBondContact CB-O 3.39Å; Q130-H167 WeakPolarHBondContact CG-O 3.28Å; Q130-H167 PolarHBondContact NE2-O 3.13Å; Q130-V168 PolarHBondContact NE2-O 2.99Å; Q130-T169 PolarHBondContact NE2-O 3.04Å; Q130-T169 VanDerWaalsContact NE2-O 3.15Å
131L97.7Very high97.2Very high34 Ų3440.4 Ų40.418%0.17823%0.226CC..SBendtrans-56.7139.9168.5-164.169000109.4L84 D90 V92 A108 A111 M133L84-L131 HydrophobicContact CD1-CD2 3.91Å; L84-L131 HydrophobicContact CD2-CD2 4.33Å; D90-L131 WeakPolarHBondContact O-CD1 3.27Å; D90-L131 WeakPolarHBondContact O-CG 3.29Å; V92-L131 HydrophobicContact CG2-CD2 4.18Å; A108-L131 HydrophobicContact CB-CB 4.22Å; A108-L131 PolarHBondContact O-N 3.24Å; A111-L131 HydrophobicContact CB-CB 4.49Å; A111-L131 HydrophobicContact CB-CD2 4.47Å; L131-M133 PolarHBondContact O-N 2.86Å; L131-M133 VanDerWaalsContact O-N 3.13Å
132P97.3Very high97.4Very high38 Ų3839.1 Ų39.125%0.24722%0.223CC..PPolyproline II helixtrans-46.4123.7-178.5-31.636.5000112.9F31 S91 V92 L171F31-P132 HydrophobicContact CD1-CB 4.22Å; F31-P132 HydrophobicContact CE1-CB 3.29Å; F31-P132 HydrophobicContact CE1-CG 3.7Å; F31-P132 HydrophobicContact CE2-CB 4.14Å; F31-P132 HydrophobicContact CZ-CB 3.25Å; F31-P132 HydrophobicContact CZ-CG 4.14Å; S91-P132 CarbonylContact C-O 3.57Å; S91-P132 VanDerWaalsContact CA-O 3.29Å; S91-P132 WeakPolarHBondContact CA-O 3.09Å; S91-P132 WeakPolarHBondContact CB-O 3.1Å; V92-P132 PolarHBondContact N-O 3.4Å; P132-L171 HydrophobicContact CB-CD1 3.64Å; P132-L171 HydrophobicContact CG-CD1 4.43Å
133M97.9Very high97.7Very high1 Ų137.8 Ų37.81%0.00521%0.209CC..EExtended strand (participates in β ladder)trans-126.5133.6-173.7-178.3177.816600111.5V92 S94 A104 K105 L131 A135 P170 L171V92-M133 HydrophobicContact CB-CG 4.44Å; V92-M133 CarbonylContact O-C 3.34Å; V92-M133 VanDerWaalsContact O-CA 3.26Å; V92-M133 WeakPolarHBondContact O-CA 3.34Å; S94-M133 VanDerWaalsContact OG-CE 3.32Å; S94-M133 WeakPolarHBondContact OG-CE 3.17Å; A104-M133 HydrophobicContact CB-CE 3.52Å; A104-M133 HydrophobicContact CB-SD 4.13Å; K105-M133 HydrophobicContact CB-SD 4.34Å; K105-M133 HydrophobicContact CG-CE 3.87Å; K105-M133 HydrophobicContact CG-SD 3.67Å; L131-M133 PolarHBondContact O-N 2.86Å; L131-M133 VanDerWaalsContact O-N 3.13Å; M133-A135 HydrophobicContact CE-CB 4.26Å; M133-P170 HydrophobicContact CE-CG 4.26Å; M133-P170 HydrophobicContact SD-CG 4.41Å; M133-L171 PolarHBondContact O-N 2.85Å
134I98Very high98Very high1 Ų133.8 Ų33.81%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-117.2139170.6-59-177.8000109.1M26 Y29 F31 V92 I93 S94 L172 V174M26-I134 HydrophobicContact CB-CD1 3.94Å; M26-I134 HydrophobicContact CE-CB 4.46Å; M26-I134 HydrophobicContact CE-CD1 4.25Å; M26-I134 HydrophobicContact CE-CG2 3.47Å; M26-I134 VanDerWaalsContact CE-CG2 3.47Å; M26-I134 HydrophobicContact CG-CD1 3.43Å; M26-I134 VanDerWaalsContact CG-CD1 3.43Å; M26-I134 HydrophobicContact SD-CB 4.35Å; M26-I134 HydrophobicContact SD-CD1 3.47Å; M26-I134 WeakPolarHBondContact SD-CD1 3.18Å; M26-I134 HydrophobicContact SD-CG1 4.48Å; M26-I134 HydrophobicContact SD-CG2 3.95Å; Y29-I134 HydrophobicContact CD2-CD1 4.46Å; F31-I134 HydrophobicContact CE2-CD1 4.01Å; F31-I134 HydrophobicContact CE2-CG1 4.41Å; V92-I134 PolarHBondContact O-N 2.81Å; I93-I134 CarbonylContact C-O 3.55Å; I93-I134 VanDerWaalsContact CA-O 3.29Å; I93-I134 WeakPolarHBondContact CA-O 3.37Å; I93-I134 HydrophobicContact CG1-CB 4.28Å; S94-I134 PolarHBondContact N-O 3.46Å; I134-L172 WeakPolarHBondContact CA-O 3.26Å; I134-L172 HydrophobicContact CG1-CB 4.15Å; I134-L172 HydrophobicContact CG2-CB 4.18Å; I134-L172 HydrophobicContact CG2-CD2 3.71Å; I134-V174 HydrophobicContact CG2-CG2 4.42Å
135A98.7Very high98.1Very high0 Ų030.4 Ų30.40%017%0.167CC..EExtended strand (participates in β ladder)trans-121.6112.4-175.600000112.8S94 M133 E145 P170 L172 S173 V174S94-A135 VanDerWaalsContact OG-CA 3.27Å; S94-A135 WeakPolarHBondContact OG-CA 3.5Å; S94-A135 WeakPolarHBondContact OG-CB 3.49Å; M133-A135 HydrophobicContact CE-CB 4.26Å; A135-E145 HydrophobicContact CB-CB 3.5Å; A135-P170 HydrophobicContact CB-CB 4.13Å; A135-P170 HydrophobicContact CB-CG 3.99Å; A135-L172 PolarHBondContact N-O 3.47Å; A135-S173 CarbonylContact O-C 3.57Å; A135-S173 WeakPolarHBondContact O-CA 3.44Å; A135-V174 PolarHBondContact O-N 3.27Å
136I98.7Very high98.2Very high0 Ų022.8 Ų22.80%014%0.138CC..EExtended strand (participates in β ladder)trans-99.1100.1177.8-54.9163.1000108.9L19 M23 M26 V51 I93 S94 L95 G96 H101 V174 L179L19-I136 HydrophobicContact CD1-CD1 3.91Å; L19-I136 HydrophobicContact CD1-CG1 4.16Å; L19-I136 HydrophobicContact CD1-CG2 3.87Å; M23-I136 HydrophobicContact CE-CD1 3.51Å; M26-I136 HydrophobicContact CE-CD1 4.18Å; M26-I136 HydrophobicContact CE-CG1 4.32Å; V51-I136 HydrophobicContact CG1-CD1 4.21Å; V51-I136 HydrophobicContact CG2-CD1 4.41Å; I93-I136 HydrophobicContact CG2-CD1 3.6Å; I93-I136 HydrophobicContact CG2-CG1 4.25Å; S94-I136 PolarHBondContact O-N 2.97Å; L95-I136 WeakPolarHBondContact CA-O 3.43Å; L95-I136 HydrophobicContact CD1-CB 3.94Å; L95-I136 HydrophobicContact CD1-CG2 3.66Å; G96-I136 PolarHBondContact N-O 3.12Å; G96-I136 VanDerWaalsContact N-O 3.1Å; H101-I136 PolarHBondContact CE1-O 3.44Å; I136-V174 HydrophobicContact CB-CB 4.44Å; I136-V174 HydrophobicContact CG1-CB 4.21Å; I136-V174 HydrophobicContact CG1-CG2 4.07Å; I136-V174 HydrophobicContact CG2-CB 4.4Å; I136-L179 HydrophobicContact CG2-CD1 3.68Å
137N98.8Very high98.2Very high0 Ų022.4 Ų22.40%014%0.136CC..EExtended strand (participates in β ladder)trans-82.1139.9-178.5-178.335000111.4G96 T139 E145 V174 N175 Q247G96-N137 CarbonylContact O-C 3.59Å; G96-N137 WeakPolarHBondContact O-CA 3.22Å; G96-N137 PolarHBondContact O-OD1 2.93Å; N137-T139 PolarHBondContact ND2-O 3.48Å; N137-T139 PolarHBondContact OD1-N 3.41Å; N137-T139 PolarHBondContact OD1-O 3.17Å; N137-T139 PolarHBondContact OD1-OG1 3.26Å; N137-E145 HydrophobicContact CB-CB 3.97Å; N137-E145 HydrophobicContact CB-CG 3.79Å; N137-V174 PolarHBondContact N-O 3.35Å; N137-N175 PolarHBondContact ND2-OD1 3.26Å; N137-Q247 PolarHBondContact ND2-NE2 2.94Å
138T98.3Very high98.2Very high9 Ų919.5 Ų19.56%0.05511%0.106CC..  trans-1253.3-179.364.70000112L42 M47 L95 G96 L179L42-T138 HydrophobicContact CD1-CG2 4.37Å; M47-T138 HydrophobicContact SD-CG2 3.75Å; L95-T138 HydrophobicContact CD1-CG2 3.95Å; G96-T138 WeakPolarHBondContact CA-OG1 3.38Å; G96-T138 PolarHBondContact O-N 2.87Å; G96-T138 PolarHBondContact O-OG1 3.01Å; T138-L179 HydrophobicContact CG2-CB 4.33Å
139T98.1Very high98.2Very high14 Ų1414.8 Ų14.89%0.0869%0.085CC..  trans-125.1129.8-178.164.70000112.1G97 N137 G141 M183G97-T139 WeakPolarHBondContact CA-OG1 3.38Å; N137-T139 PolarHBondContact ND2-O 3.48Å; N137-T139 PolarHBondContact OD1-N 3.41Å; N137-T139 PolarHBondContact OD1-O 3.17Å; N137-T139 PolarHBondContact OD1-OG1 3.26Å; T139-G141 VanDerWaalsContact C-N 3.31Å; T139-G141 PolarHBondContact O-N 3.5Å; T139-M183 HydrophobicContact CG2-CE 4.32Å
140A98.4Very high98.2Very high3 Ų310.7 Ų10.73%0.0256%0.058CC..SBendtrans-8273.517500000111.6M180 T191 G192 M243A140-M180 HydrophobicContact CB-SD 3.99Å; A140-T191 CarbonylContact O-C 3.58Å; A140-T191 VanDerWaalsContact O-CB 3.29Å; A140-T191 WeakPolarHBondContact O-CB 3.21Å; A140-T191 PolarHBondContact O-OG1 2.99Å; A140-T191 VanDerWaalsContact O-OG1 3.05Å; A140-G192 PolarHBondContact O-N 3.11Å; A140-M243 HydrophobicContact CB-CB 3.85Å
141G97.9Very high98.1Very high1 Ų111.3 Ų11.31%0.016%0.062CC..SBendtrans-165.9-57.4-178.100000117.7T139 T191 H198T139-G141 VanDerWaalsContact C-N 3.31Å; T139-G141 PolarHBondContact O-N 3.5Å; G141-T191 WeakPolarHBondContact CA-O 3.42Å; G141-H198 PolarHBondContact O-CE1 2.94Å; G141-H198 VanDerWaalsContact O-CE1 3.3Å; G141-H198 PolarHBondContact O-ND1 3.31Å; G141-H198 VanDerWaalsContact O-ND1 3.16Å
142T97.7Very high98Very high36 Ų369.7 Ų9.722%0.2215%0.054CC..  trans-79.3-28.6-160.371.50000114.6G98 S144G98-T142 WeakPolarHBondContact CA-OG1 3.26Å; G98-T142 PolarHBondContact N-OG1 3.4Å; T142-S144 PolarHBondContact O-N 2.94Å; T142-S144 PolarHBondContact OG1-N 3.42Å
143A98.6Very high97.8Very high0 Ų08.6 Ų8.60%05%0.046CC..  trans50.217.3-165.900000115.1E145 M146 T147 Q247 F254A143-E145 WeakPolarHBondContact CA-OE2 3.2Å; A143-E145 PolarHBondContact O-N 2.72Å; A143-E145 VanDerWaalsContact O-N 3.12Å; A143-M146 HydrophobicContact CB-CG 4.09Å; A143-M146 HydrophobicContact CB-SD 4.26Å; A143-M146 VanDerWaalsContact O-CG 3.28Å; A143-M146 WeakPolarHBondContact O-CG 3.35Å; A143-M146 PolarHBondContact O-N 3.09Å; A143-T147 VanDerWaalsContact O-CG2 3.23Å; A143-T147 WeakPolarHBondContact O-CG2 3.39Å; A143-T147 PolarHBondContact O-N 3.36Å; A143-Q247 VanDerWaalsContact CA-OE1 3.22Å; A143-F254 HydrophobicContact CB-CE1 3.99Å
144S98.6Very high97.5Very high6 Ų68.7 Ų8.74%0.0425%0.047CC..THydrogen-bonded Turntrans-65.2-19-177.4-173.20000112.1D102 K105 T142 M146 T147D102-S144 PolarHBondContact OD1-OG 2.87Å; K105-S144 WeakPolarHBondContact CE-O 3.46Å; K105-S144 PolarHBondContact NZ-O 2.88Å; K105-S144 PolarHBondContact NZ-OG 2.84Å; T142-S144 PolarHBondContact O-N 2.94Å; T142-S144 PolarHBondContact OG1-N 3.42Å; S144-M146 PolarHBondContact O-N 3.09Å; S144-T147 PolarHBondContact O-N 3.48Å
145E98.8Very high97.2Very high0 Ų012.1 Ų12.10%06%0.062CC..THydrogen-bonded Turntrans-61.1-14.1170.876.2-74.1177.900114.5A135 N137 A143 P170 S173 N175 Q247A135-E145 HydrophobicContact CB-CB 3.5Å; N137-E145 HydrophobicContact CB-CB 3.97Å; N137-E145 HydrophobicContact CB-CG 3.79Å; A143-E145 WeakPolarHBondContact CA-OE2 3.2Å; A143-E145 PolarHBondContact O-N 2.72Å; A143-E145 VanDerWaalsContact O-N 3.12Å; E145-P170 VanDerWaalsContact O-CG 3.26Å; E145-P170 WeakPolarHBondContact O-CG 3.48Å; E145-S173 WeakPolarHBondContact O-CB 3.41Å; E145-N175 PolarHBondContact OE1-ND2 3.24Å; E145-N175 PolarHBondContact OE1-OD1 3.07Å; E145-Q247 PolarHBondContact OE1-NE2 3.48Å
146M98.7Very high96.8Very high0 Ų016.1 Ų16.10%010%0.096CC..THydrogen-bonded Turntrans-124.8-7.9-179.268.46960.500114.7I8 P9 A143 S144 F248 G251 M252 N255I8-M146 HydrophobicContact CB-CE 4.4Å; I8-M146 HydrophobicContact CG1-CE 3.99Å; P9-M146 WeakPolarHBondContact CD-O 3.49Å; P9-M146 HydrophobicContact CG-CB 3.77Å; A143-M146 HydrophobicContact CB-CG 4.09Å; A143-M146 HydrophobicContact CB-SD 4.26Å; A143-M146 VanDerWaalsContact O-CG 3.28Å; A143-M146 WeakPolarHBondContact O-CG 3.35Å; A143-M146 PolarHBondContact O-N 3.09Å; S144-M146 PolarHBondContact O-N 3.09Å; M146-F248 HydrophobicContact CB-CD2 4.42Å; M146-F248 HydrophobicContact CB-CE2 3.68Å; M146-F248 HydrophobicContact CB-CZ 4.23Å; M146-F248 HydrophobicContact CG-CD2 4.01Å; M146-F248 HydrophobicContact CG-CE2 3.69Å; M146-F248 HydrophobicContact CG-CZ 4.28Å; M146-G251 VanDerWaalsContact SD-C 3.51Å; M146-M252 HydrophobicContact CE-CG 4.19Å; M146-N255 HydrophobicContact CE-CB 4.14Å; M146-N255 HydrophobicContact SD-CB 4.11Å
147T98.7Very high96.1Very high4 Ų421.2 Ų21.23%0.02512%0.115CC..  trans-82.8155.6-172.164.20000113.2K105 A143 S144 F149 F254 N255K105-T147 WeakPolarHBondContact CE-O 3.39Å; K105-T147 PolarHBondContact NZ-O 3.22Å; K105-T147 PolarHBondContact NZ-OG1 3.35Å; A143-T147 VanDerWaalsContact O-CG2 3.23Å; A143-T147 WeakPolarHBondContact O-CG2 3.39Å; A143-T147 PolarHBondContact O-N 3.36Å; S144-T147 PolarHBondContact O-N 3.48Å; T147-F149 HydrophobicContact CG2-CD2 4.14Å; T147-F149 PolarHBondContact O-N 3.32Å; T147-F254 HydrophobicContact CG2-CE1 4.12Å; T147-F254 HydrophobicContact CG2-CE2 3.91Å; T147-F254 HydrophobicContact CG2-CZ 3.42Å; T147-F254 VanDerWaalsContact CG2-CZ 3.42Å; T147-N255 WeakPolarHBondContact CA-OD1 3.13Å; T147-N255 WeakPolarHBondContact CB-OD1 3.44Å; T147-N255 HydrophobicContact CG2-CB 4.36Å
148R97.8Very high95.4Very high29 Ų2927.2 Ų27.211%0.10914%0.143CC..SBendtrans-86.321.7167.467165.5-69.3-156.49.1113.1D124 V164 D165 V168 N255D124-R148 IonicContact OD1-NH2 2.91Å; D124-R148 PolarHBondContact OD1-NH2 3.13Å; D124-R148 IonicContact OD2-NH2 3.84Å; D124-R148 PolarHBondContact OD2-NH2 2.89Å; R148-V164 PolarHBondContact NH2-O 2.76Å; R148-V164 VanDerWaalsContact NH2-O 3.17Å; R148-D165 PolarHBondContact O-N 2.85Å; R148-V168 VanDerWaalsContact O-CG2 3.32Å; R148-V168 WeakPolarHBondContact O-CG2 3.47Å; R148-N255 WeakPolarHBondContact CG-OD1 3.47Å; R148-N255 PolarHBondContact N-OD1 3.47Å
149F97.7Very high94.7Very high31 Ų3128.9 Ų28.914%0.13615%0.151CC..EExtended strand (participates in β ladder)trans-111.5142.7-179.7-54.7-54.4000110.1K105 T147 I163 V164 F254K105-F149 VanDerWaalsContact CD-O 3.28Å; K105-F149 WeakPolarHBondContact CD-O 3.28Å; K105-F149 PolarHBondContact NZ-O 3.35Å; T147-F149 HydrophobicContact CG2-CD2 4.14Å; T147-F149 PolarHBondContact O-N 3.32Å; F149-I163 CarbonylContact C-O 3.5Å; F149-I163 WeakPolarHBondContact CA-O 3.33Å; F149-V164 HydrophobicContact CD1-CB 4.22Å; F149-V164 HydrophobicContact CD1-CG1 3.91Å; F149-V164 HydrophobicContact CD1-CG2 3.86Å; F149-V164 HydrophobicContact CE1-CB 4.36Å; F149-V164 HydrophobicContact CE1-CG1 3.64Å; F149-V164 HydrophobicContact CE1-CG2 4.04Å; F149-F254 HydrophobicContact CD2-CD2 4.41Å; F149-F254 AromaticContact CD2-CE2 3.75Å; F149-F254 HydrophobicContact CD2-CE2 3.75Å; F149-F254 AromaticContact CE2-CD2 3.86Å; F149-F254 HydrophobicContact CE2-CD2 3.86Å; F149-F254 AromaticContact CE2-CE2 3.66Å; F149-F254 HydrophobicContact CE2-CE2 3.66Å
150C97.8Very high94.3Very high0 Ų029.5 Ų29.50%015%0.152CC..EExtended strand (participates in β ladder)trans-133.2110.7169.7172.10000107.4D102 K105 I163 V168D102-C150 PolarHBondContact O-SG 3.4Å; K105-C150 HydrophobicContact CB-CB 3.98Å; K105-C150 HydrophobicContact CD-CB 4.24Å; C150-I163 HydrophobicContact CB-CB 4.01Å; C150-I163 HydrophobicContact CB-CG2 4.37Å; C150-I163 PolarHBondContact N-O 3.37Å; C150-I163 WeakPolarHBondContact O-CB 3.4Å; C150-I163 PolarHBondContact O-N 3.25Å; C150-V168 HydrophobicContact CB-CB 4.46Å; C150-V168 HydrophobicContact CB-CG1 4.26Å; C150-V168 HydrophobicContact CB-CG2 4.28Å
151I95.4Very high93.9Very high31 Ų3129.4 Ų29.416%0.15915%0.151CC..EExtended strand (participates in β ladder)trans-103111.7-175.5-51.9-56.5000109.4D102 K160 M161 A162D102-I151 WeakPolarHBondContact OD2-CB 3.35Å; D102-I151 PolarHBondContact OD2-N 2.8Å; I151-K160 HydrophobicContact CG2-CB 3.92Å; I151-K160 HydrophobicContact CG2-CD 3.97Å; I151-K160 HydrophobicContact CG2-CG 4.29Å; I151-M161 WeakPolarHBondContact CA-O 3.18Å; I151-A162 HydrophobicContact CD1-CB 4.05Å
152I96.1Very high93.6Very high0 Ų030.1 Ų30.10%016%0.157CC..EExtended strand (participates in β ladder)trans-123.1128.1-176-58.8-63.1000109.9P72 T74 V77 D102 I117 D154 M161P72-I152 HydrophobicContact CB-CD1 4.37Å; P72-I152 HydrophobicContact CG-CD1 4.1Å; P72-I152 CarbonylContact O-C 3.55Å; P72-I152 WeakPolarHBondContact O-CA 3.32Å; T74-I152 HydrophobicContact CG2-CG2 3.88Å; V77-I152 HydrophobicContact CG2-CD1 3.74Å; V77-I152 HydrophobicContact CG2-CG1 4.36Å; V77-I152 HydrophobicContact CG2-CG2 4.45Å; D102-I152 HydrophobicContact CB-CD1 4.4Å; I117-I152 HydrophobicContact CG1-CG1 4.08Å; I117-I152 HydrophobicContact CG2-CG2 4.43Å; I152-D154 PolarHBondContact O-N 2.81Å; I152-M161 HydrophobicContact CB-CE 3.88Å; I152-M161 HydrophobicContact CG2-CE 3.74Å; I152-M161 PolarHBondContact N-O 3.44Å; I152-M161 VanDerWaalsContact N-O 3.12Å; I152-M161 WeakPolarHBondContact O-CB 3.48Å; I152-M161 PolarHBondContact O-N 3.05Å
153T93.7Very high93.5Very high15 Ų1528.4 Ų28.49%0.09215%0.147CC..EExtended strand (participates in β ladder)trans-73.3124.6175.2-520000110.3N71 P72 T73 T74 E155 I159N71-T153 PolarHBondContact O-OG1 2.98Å; P72-T153 PolarHBondContact O-N 3.24Å; T73-T153 VanDerWaalsContact CA-O 3.31Å; T73-T153 WeakPolarHBondContact CA-O 3.48Å; T74-T153 PolarHBondContact N-O 3.1Å; T74-T153 VanDerWaalsContact N-O 3.14Å; T153-E155 HydrophobicContact CG2-CG 4.3Å; T153-I159 WeakPolarHBondContact CA-O 3.33Å
154D91.9Very high93.4Very high3 Ų329.3 Ų29.32%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-9597.4167-168.4-12.3000109.3T74 R118 I152 A156 R157 H158 I159 M161T74-D154 HydrophobicContact CG2-CB 4.46Å; R118-D154 IonicContact CZ-OD1 3.93Å; R118-D154 IonicContact NE-OD1 2.77Å; R118-D154 IonicContact NE-OD2 3.55Å; R118-D154 PolarHBondContact NE-OD2 3.09Å; R118-D154 VanDerWaalsContact NE-OD2 3.11Å; R118-D154 IonicContact NH2-OD1 3.46Å; R118-D154 PolarHBondContact NH2-OD1 2.77Å; I152-D154 PolarHBondContact O-N 2.81Å; D154-A156 PolarHBondContact O-N 3.16Å; D154-A156 PolarHBondContact OD1-N 3.18Å; D154-R157 HydrophobicContact CB-CB 4.31Å; D154-R157 CarbonylContact O-C 3.55Å; D154-R157 PolarHBondContact O-N 2.77Å; D154-R157 VanDerWaalsContact O-N 3.08Å; D154-R157 IonicContact OD2-CZ 2.95Å; D154-R157 VanDerWaalsContact OD2-CZ 3.28Å; D154-R157 IonicContact OD2-NE 3.28Å; D154-R157 PolarHBondContact OD2-NE 2.89Å; D154-R157 IonicContact OD2-NH2 3.94Å; D154-R157 PolarHBondContact OD2-NH2 3.38Å; D154-H158 PolarHBondContact O-N 3.06Å; D154-I159 HydrophobicContact CB-CG1 4.44Å; D154-I159 PolarHBondContact N-O 2.91Å; D154-I159 PolarHBondContact O-N 3.48Å; D154-M161 HydrophobicContact CB-CE 4.34Å; D154-M161 HydrophobicContact CB-CG 4.05Å; D154-M161 HydrophobicContact CB-SD 4.08Å
155E90.1Very high93.4Very high72 Ų7229 Ų2934%0.33615%0.15SC..THydrogen-bonded Turntrans-61.8-27.2-176.7-69.4173.3109.600112.6T73 T153 H158T73-E155 WeakPolarHBondContact CB-OE2 3.46Å; T73-E155 VanDerWaalsContact CG2-CD 3.41Å; T73-E155 HydrophobicContact CG2-CG 3.8Å; T73-E155 VanDerWaalsContact CG2-OE2 3.27Å; T73-E155 WeakPolarHBondContact CG2-OE2 3.35Å; T73-E155 PolarHBondContact OG1-OE2 3.36Å; T153-E155 HydrophobicContact CG2-CG 4.3Å; E155-H158 PolarHBondContact O-CE1 2.98Å; E155-H158 VanDerWaalsContact O-CE1 3.25Å; E155-H158 PolarHBondContact O-ND1 3.29Å
156A90.5Very high93.3Very high84 Ų8434.2 Ų34.269%0.69417%0.173SC*.THydrogen-bonded Turntrans-72.4-31.7176.800000112.5D154D154-A156 PolarHBondContact O-N 3.16Å; D154-A156 PolarHBondContact OD1-N 3.18Å
157R85.7Confident93.2Very high107 Ų10736 Ų3640%0.40418%0.181SC..THydrogen-bonded Turntrans-98.3-10.1178.4-71-172.6-73161.6-4.5113.2E121 D154 I159 M161E121-R157 IonicContact OE1-NH1 3.11Å; E121-R157 IonicContact OE2-CZ 3.5Å; E121-R157 VanDerWaalsContact OE2-CZ 3.3Å; E121-R157 IonicContact OE2-NH1 2.74Å; E121-R157 PolarHBondContact OE2-NH1 2.65Å; E121-R157 IonicContact OE2-NH2 2.97Å; E121-R157 PolarHBondContact OE2-NH2 2.95Å; D154-R157 HydrophobicContact CB-CB 4.31Å; D154-R157 CarbonylContact O-C 3.55Å; D154-R157 PolarHBondContact O-N 2.77Å; D154-R157 VanDerWaalsContact O-N 3.08Å; D154-R157 IonicContact OD2-CZ 2.95Å; D154-R157 VanDerWaalsContact OD2-CZ 3.28Å; D154-R157 IonicContact OD2-NE 3.28Å; D154-R157 PolarHBondContact OD2-NE 2.89Å; D154-R157 IonicContact OD2-NH2 3.94Å; D154-R157 PolarHBondContact OD2-NH2 3.38Å; R157-I159 VanDerWaalsContact C-N 3.27Å; R157-I159 HydrophobicContact CB-CD1 4.14Å; R157-I159 HydrophobicContact CB-CG1 3.82Å; R157-I159 PolarHBondContact O-N 2.65Å; R157-M161 PolarHBondContact NH2-SD 3.27Å
158H83Confident93.2Very high127 Ų12735.8 Ų35.859%0.58818%0.18SC*.THydrogen-bonded Turntrans52.841-172.3-58.1-68.6000113.4D154 E155D154-H158 PolarHBondContact O-N 3.06Å; E155-H158 PolarHBondContact O-CE1 2.98Å; E155-H158 VanDerWaalsContact O-CE1 3.25Å; E155-H158 PolarHBondContact O-ND1 3.29Å
159I83Confident93.3Very high44 Ų4435.6 Ų35.623%0.22618%0.182CC..EExtended strand (participates in β ladder)trans-130.5156.5177.866175.8000111.5T153 D154 R157T153-I159 WeakPolarHBondContact CA-O 3.33Å; D154-I159 HydrophobicContact CB-CG1 4.44Å; D154-I159 PolarHBondContact N-O 2.91Å; D154-I159 PolarHBondContact O-N 3.48Å; R157-I159 VanDerWaalsContact C-N 3.27Å; R157-I159 HydrophobicContact CB-CD1 4.14Å; R157-I159 HydrophobicContact CB-CG1 3.82Å; R157-I159 PolarHBondContact O-N 2.65Å
160K89.7Confident93.3Very high27 Ų2734.2 Ų34.212%0.11718%0.176CC..EExtended strand (participates in β ladder)trans-88.1114.4165.1-71.6-172.3169.4-167.10109.3N71 I151N71-K160 VanDerWaalsContact OD1-CE 3.29Å; N71-K160 WeakPolarHBondContact OD1-CE 3.19Å; N71-K160 PolarHBondContact OD1-NZ 2.83Å; I151-K160 HydrophobicContact CG2-CB 3.92Å; I151-K160 HydrophobicContact CG2-CD 3.97Å; I151-K160 HydrophobicContact CG2-CG 4.29Å
161M90.6Very high93.3Very high0 Ų037.3 Ų37.30%019%0.192CC..EExtended strand (participates in β ladder)trans-73.5133.8171.8-58.8-175.2-65.300109.4T74 I117 R118 E121 I151 I152 D154 R157T74-M161 HydrophobicContact CG2-CE 3.54Å; I117-M161 HydrophobicContact CG2-CE 4.27Å; R118-M161 HydrophobicContact CB-SD 4.21Å; R118-M161 HydrophobicContact CG-CE 3.98Å; R118-M161 HydrophobicContact CG-SD 3.7Å; E121-M161 HydrophobicContact CB-CB 4.48Å; E121-M161 HydrophobicContact CB-SD 4.43Å; E121-M161 HydrophobicContact CG-CB 4.07Å; E121-M161 HydrophobicContact CG-CG 4.38Å; I151-M161 WeakPolarHBondContact CA-O 3.18Å; I152-M161 HydrophobicContact CB-CE 3.88Å; I152-M161 HydrophobicContact CG2-CE 3.74Å; I152-M161 PolarHBondContact N-O 3.44Å; I152-M161 VanDerWaalsContact N-O 3.12Å; I152-M161 WeakPolarHBondContact O-CB 3.48Å; I152-M161 PolarHBondContact O-N 3.05Å; D154-M161 HydrophobicContact CB-CE 4.34Å; D154-M161 HydrophobicContact CB-CG 4.05Å; D154-M161 HydrophobicContact CB-SD 4.08Å; R157-M161 PolarHBondContact NH2-SD 3.27Å
162A92.2Very high93.4Very high16 Ų1635.8 Ų35.813%0.13218%0.184CC..EExtended strand (participates in β ladder)trans-101.8111.9172.300000109.9G122 I151G122-A162 PolarHBondContact N-O 3.36Å; I151-A162 HydrophobicContact CD1-CB 4.05Å
163I95.9Very high93.5Very high0 Ų035.8 Ų35.80%018%0.184CC..EExtended strand (participates in β ladder)trans-99113.3170.3-59.4166.5000106.9L109 I117 Y120 F149 C150 D165 V168L109-I163 HydrophobicContact CD2-CG2 4.16Å; I117-I163 HydrophobicContact CD1-CD1 3.44Å; I117-I163 VanDerWaalsContact CD1-CD1 3.44Å; I117-I163 HydrophobicContact CG1-CD1 3.77Å; Y120-I163 WeakPolarHBondContact O-CG2 3.41Å; F149-I163 CarbonylContact C-O 3.5Å; F149-I163 WeakPolarHBondContact CA-O 3.33Å; C150-I163 HydrophobicContact CB-CB 4.01Å; C150-I163 HydrophobicContact CB-CG2 4.37Å; C150-I163 PolarHBondContact N-O 3.37Å; C150-I163 WeakPolarHBondContact O-CB 3.4Å; C150-I163 PolarHBondContact O-N 3.25Å; I163-D165 HydrophobicContact CG2-CB 4.25Å; I163-V168 HydrophobicContact CG2-CG1 4.49Å
164V95.9Very high93.7Very high19 Ų1935.1 Ų35.112%0.11518%0.18CC..EExtended strand (participates in β ladder)trans-113.389.1-177-175.90000108.4G122 V123 D124 R148 F149G122-V164 PolarHBondContact O-N 3.1Å; V123-V164 CarbonylContact C-O 3.56Å; V123-V164 VanDerWaalsContact CA-O 3.31Å; V123-V164 WeakPolarHBondContact CA-O 3.26Å; V123-V164 HydrophobicContact CG2-CB 4.26Å; D124-V164 PolarHBondContact N-O 2.87Å; R148-V164 PolarHBondContact NH2-O 2.76Å; R148-V164 VanDerWaalsContact NH2-O 3.17Å; F149-V164 HydrophobicContact CD1-CB 4.22Å; F149-V164 HydrophobicContact CD1-CG1 3.91Å; F149-V164 HydrophobicContact CD1-CG2 3.86Å; F149-V164 HydrophobicContact CE1-CB 4.36Å; F149-V164 HydrophobicContact CE1-CG1 3.64Å; F149-V164 HydrophobicContact CE1-CG2 4.04Å
165D97.6Very high94.1Very high1 Ų135 Ų351%0.00518%0.179CC..  trans-137.1127.3-169.3-162.1-48.7000110.7D124 R125 S126 R148 I163 H167 V168D124-D165 WeakPolarHBondContact OD1-CA 3.27Å; R125-D165 PolarHBondContact N-OD2 3.4Å; S126-D165 VanDerWaalsContact CB-OD2 3.23Å; S126-D165 WeakPolarHBondContact CB-OD2 3.37Å; S126-D165 PolarHBondContact N-OD2 2.89Å; S126-D165 PolarHBondContact OG-OD1 3.33Å; S126-D165 VanDerWaalsContact OG-OD1 3.12Å; S126-D165 PolarHBondContact OG-OD2 3.47Å; R148-D165 PolarHBondContact O-N 2.85Å; I163-D165 HydrophobicContact CG2-CB 4.25Å; D165-H167 PolarHBondContact O-N 3.38Å; D165-H167 VanDerWaalsContact O-N 3.09Å; D165-H167 VanDerWaalsContact OD1-CB 3.26Å; D165-H167 WeakPolarHBondContact OD1-CB 3.05Å; D165-H167 IonicContact OD1-CG 2.77Å; D165-H167 PolarHBondContact OD1-N 3.04Å; D165-H167 IonicContact OD1-ND1 3.37Å; D165-V168 HydrophobicContact CB-CG1 4.34Å; D165-V168 HydrophobicContact CB-CG2 4.39Å; D165-V168 WeakPolarHBondContact O-CG2 3.38Å; D165-V168 PolarHBondContact O-N 2.76Å
166K96.5Very high94.5Very high108 Ų10831.7 Ų31.747%0.4716%0.164SC..G310 helixtrans-54.9-30.5176.168.5-170.8177.9-171.80112.2F7 D124 V168 T169F7-K166 HydrophobicContact CD1-CB 4.22Å; F7-K166 HydrophobicContact CE1-CB 3.82Å; D124-K166 PolarHBondContact OD1-N 3.13Å; K166-V168 VanDerWaalsContact C-N 3.31Å; K166-V168 PolarHBondContact O-N 3.39Å; K166-T169 WeakPolarHBondContact O-CB 3.47Å; K166-T169 PolarHBondContact O-N 3.2Å; K166-T169 PolarHBondContact O-OG1 3.37Å
167H98.2Very high94.8Very high38 Ų3827.9 Ų27.918%0.17613%0.133CC..G310 helixtrans-75-11.7-178.9-63.8149.7000114.2L109 S126 K128 Q130 D165 T169L109-H167 HydrophobicContact CD1-CB 4.29Å; S126-H167 PolarHBondContact OG-ND1 3.19Å; K128-H167 PolarHBondContact O-ND1 3.27Å; Q130-H167 WeakPolarHBondContact CB-O 3.39Å; Q130-H167 WeakPolarHBondContact CG-O 3.28Å; Q130-H167 PolarHBondContact NE2-O 3.13Å; D165-H167 PolarHBondContact O-N 3.38Å; D165-H167 VanDerWaalsContact O-N 3.09Å; D165-H167 VanDerWaalsContact OD1-CB 3.26Å; D165-H167 WeakPolarHBondContact OD1-CB 3.05Å; D165-H167 IonicContact OD1-CG 2.77Å; D165-H167 PolarHBondContact OD1-N 3.04Å; D165-H167 IonicContact OD1-ND1 3.37Å; H167-T169 VanDerWaalsContact C-N 3.32Å
168V98.6Very high95.4Very high0 Ų024.9 Ų24.90%013%0.128CC..G310 helixtrans-86-3.9172.3-61.30000113.5K105 L109 Q130 R148 C150 I163 D165 K166 P170K105-V168 HydrophobicContact CB-CB 4.21Å; K105-V168 HydrophobicContact CB-CG1 4.48Å; K105-V168 HydrophobicContact CD-CB 4.29Å; K105-V168 WeakPolarHBondContact CE-O 3.22Å; K105-V168 HydrophobicContact CG-CB 4.26Å; K105-V168 WeakPolarHBondContact CG-O 3.36Å; L109-V168 HydrophobicContact CB-CG1 4.22Å; L109-V168 HydrophobicContact CD1-CG1 3.88Å; L109-V168 HydrophobicContact CD2-CG1 3.79Å; L109-V168 HydrophobicContact CG-CG1 4.18Å; Q130-V168 PolarHBondContact NE2-O 2.99Å; R148-V168 VanDerWaalsContact O-CG2 3.32Å; R148-V168 WeakPolarHBondContact O-CG2 3.47Å; C150-V168 HydrophobicContact CB-CB 4.46Å; C150-V168 HydrophobicContact CB-CG1 4.26Å; C150-V168 HydrophobicContact CB-CG2 4.28Å; I163-V168 HydrophobicContact CG2-CG1 4.49Å; D165-V168 HydrophobicContact CB-CG1 4.34Å; D165-V168 HydrophobicContact CB-CG2 4.39Å; D165-V168 WeakPolarHBondContact O-CG2 3.38Å; D165-V168 PolarHBondContact O-N 2.76Å; K166-V168 VanDerWaalsContact C-N 3.31Å; K166-V168 PolarHBondContact O-N 3.39Å; V168-P170 WeakPolarHBondContact O-CD 3.22Å
169T98.7Very high96.1Very high24 Ų2420.2 Ų20.215%0.14711%0.107CC..SBendtrans-63.4125174.7-47.40000109.7P9 Q130 K166 H167P9-T169 HydrophobicContact CG-CG2 4Å; Q130-T169 PolarHBondContact NE2-O 3.04Å; Q130-T169 VanDerWaalsContact NE2-O 3.15Å; K166-T169 WeakPolarHBondContact O-CB 3.47Å; K166-T169 PolarHBondContact O-N 3.2Å; K166-T169 PolarHBondContact O-OG1 3.37Å; H167-T169 VanDerWaalsContact C-N 3.32Å
170P98.5Very high96.8Very high3 Ų318.1 Ų18.12%0.01910%0.096CC..  trans-60.7153.8175.2-28.841000112.3P9 M133 A135 E145 V168P9-P170 VanDerWaalsContact CB-O 3.3Å; P9-P170 WeakPolarHBondContact CB-O 3.49Å; M133-P170 HydrophobicContact CE-CG 4.26Å; M133-P170 HydrophobicContact SD-CG 4.41Å; A135-P170 HydrophobicContact CB-CB 4.13Å; A135-P170 HydrophobicContact CB-CG 3.99Å; E145-P170 VanDerWaalsContact O-CG 3.26Å; E145-P170 WeakPolarHBondContact O-CG 3.48Å; V168-P170 WeakPolarHBondContact O-CD 3.22Å
171L97.2Very high97.1Very high64 Ų6419.7 Ų19.734%0.33511%0.105SC..SBendtrans-71.6-39174.2-67177.4000111.2S10 Y29 F31 P132 M133S10-L171 PolarHBondContact OG-O 2.86Å; Y29-L171 HydrophobicContact CE1-CD1 4.48Å; F31-L171 HydrophobicContact CZ-CD1 4.19Å; P132-L171 HydrophobicContact CB-CD1 3.64Å; P132-L171 HydrophobicContact CG-CD1 4.43Å; M133-L171 PolarHBondContact O-N 2.85Å
172L97.6Very high97.3Very high0 Ų023 Ų230%014%0.14CC..EExtended strand (participates in β ladder)trans-138.5130.2-178.5-172.3154.4000109.4V11 V13 A22 M25 Y29 I134 A135 V174V11-L172 HydrophobicContact CB-CD1 4.31Å; V11-L172 HydrophobicContact CB-CG 4.24Å; V11-L172 HydrophobicContact CG1-CD1 3.92Å; V11-L172 HydrophobicContact CG1-CG 4.12Å; V11-L172 WeakPolarHBondContact O-CA 3.39Å; V13-L172 HydrophobicContact CG2-CD1 4.3Å; V13-L172 HydrophobicContact CG2-CD2 4.23Å; V13-L172 HydrophobicContact CG2-CG 4.39Å; A22-L172 HydrophobicContact CB-CD2 4.26Å; M25-L172 HydrophobicContact CB-CD1 4.08Å; M25-L172 HydrophobicContact SD-CD1 4.14Å; Y29-L172 HydrophobicContact CE2-CD1 4.02Å; I134-L172 WeakPolarHBondContact CA-O 3.26Å; I134-L172 HydrophobicContact CG1-CB 4.15Å; I134-L172 HydrophobicContact CG2-CB 4.18Å; I134-L172 HydrophobicContact CG2-CD2 3.71Å; A135-L172 PolarHBondContact N-O 3.47Å; L172-V174 HydrophobicContact CD2-CG2 3.31Å
173S98.7Very high97.5Very high0 Ų023 Ų230%014%0.138CC..EExtended strand (participates in β ladder)trans-105.8142.4167.875.80000111V11 N12 V13 A135 E145V11-S173 PolarHBondContact O-N 3.03Å; V11-S173 VanDerWaalsContact O-N 3.14Å; N12-S173 PolarHBondContact OD1-OG 3.33Å; V13-S173 PolarHBondContact N-O 2.85Å; A135-S173 CarbonylContact O-C 3.57Å; A135-S173 WeakPolarHBondContact O-CA 3.44Å; E145-S173 WeakPolarHBondContact O-CB 3.41Å
174V98.7Very high97.5Very high0 Ų026.7 Ų26.70%016%0.161CC..EExtended strand (participates in β ladder)trans-121.2123.5175.4-1690000109V13 L19 A22 M26 I134 A135 I136 N137 L172 D176V13-V174 CarbonylContact O-C 3.49Å; V13-V174 WeakPolarHBondContact O-CA 3.41Å; L19-V174 HydrophobicContact CD1-CG1 4.25Å; A22-V174 HydrophobicContact CB-CB 4.29Å; A22-V174 HydrophobicContact CB-CG1 3.9Å; A22-V174 HydrophobicContact CB-CG2 3.34Å; M26-V174 HydrophobicContact CE-CG2 4.32Å; I134-V174 HydrophobicContact CG2-CG2 4.42Å; A135-V174 PolarHBondContact O-N 3.27Å; I136-V174 HydrophobicContact CB-CB 4.44Å; I136-V174 HydrophobicContact CG1-CB 4.21Å; I136-V174 HydrophobicContact CG1-CG2 4.07Å; I136-V174 HydrophobicContact CG2-CB 4.4Å; N137-V174 PolarHBondContact N-O 3.35Å; L172-V174 HydrophobicContact CD2-CG2 3.31Å; V174-D176 HydrophobicContact CG1-CB 4.4Å
175N98.8Very high97.6Very high0 Ų031.8 Ų31.80%018%0.182CC..EExtended strand (participates in β ladder)trans-121.777.8171.6-84.6-83.8000108.9V13 I14 G15 N137 E145 S177 M180 Q247 F248V13-N175 PolarHBondContact O-N 3.36Å; I14-N175 HydrophobicContact CB-CB 4.38Å; I14-N175 HydrophobicContact CG1-CB 4.18Å; I14-N175 HydrophobicContact CG2-CB 3.92Å; G15-N175 PolarHBondContact N-O 3.13Å; G15-N175 VanDerWaalsContact N-O 3.1Å; N137-N175 PolarHBondContact ND2-OD1 3.26Å; E145-N175 PolarHBondContact OE1-ND2 3.24Å; E145-N175 PolarHBondContact OE1-OD1 3.07Å; N175-S177 PolarHBondContact O-N 3.21Å; N175-M180 HydrophobicContact CB-CE 4.48Å; N175-M180 WeakPolarHBondContact OD1-CE 3.47Å; N175-Q247 PolarHBondContact OD1-NE2 2.61Å; N175-F248 WeakPolarHBondContact ND2-CD2 3.32Å
176D98.6Very high97.6Very high3 Ų336 Ų362%0.01621%0.212CC..  trans-84.4110.5172.6-170.9-24.7000109.7G15 D17 S18 L19 V174 S178 L179G15-D176 WeakPolarHBondContact O-CA 3.22Å; D17-D176 WeakPolarHBondContact CA-OD2 3.46Å; D17-D176 PolarHBondContact N-OD1 2.95Å; D17-D176 PolarHBondContact N-OD2 2.92Å; S18-D176 PolarHBondContact N-OD2 2.87Å; S18-D176 VanDerWaalsContact N-OD2 3.08Å; L19-D176 HydrophobicContact CB-CB 4.22Å; L19-D176 VanDerWaalsContact CB-OD2 3.26Å; L19-D176 WeakPolarHBondContact CB-OD2 3.48Å; L19-D176 PolarHBondContact N-OD2 3.36Å; V174-D176 HydrophobicContact CG1-CB 4.4Å; D176-S178 PolarHBondContact O-N 3.28Å; D176-S178 VanDerWaalsContact OD1-CB 3.22Å; D176-S178 WeakPolarHBondContact OD1-CB 3.5Å; D176-S178 PolarHBondContact OD1-N 3.21Å; D176-S178 PolarHBondContact OD1-OG 3.09Å; D176-S178 PolarHBondContact OD2-OG 2.77Å; D176-L179 HydrophobicContact CB-CD1 4.01Å; D176-L179 HydrophobicContact CB-CG 3.99Å; D176-L179 WeakPolarHBondContact O-CB 3.4Å; D176-L179 PolarHBondContact O-N 3.06Å; D176-L179 VanDerWaalsContact O-N 3.13Å
177S98.1Very high97.6Very high5 Ų534.4 Ų34.44%0.03521%0.208CC..G310 helixtrans-65.7-21.4-176.863.60000112.9A16 N175 L179 M180A16-S177 WeakPolarHBondContact CA-OG 3.42Å; A16-S177 WeakPolarHBondContact CB-OG 3.3Å; A16-S177 PolarHBondContact N-OG 3.38Å; N175-S177 PolarHBondContact O-N 3.21Å; S177-L179 VanDerWaalsContact C-N 3.28Å; S177-L179 PolarHBondContact O-N 2.99Å; S177-M180 WeakPolarHBondContact O-CB 3.48Å; S177-M180 PolarHBondContact O-N 3.15Å; S177-M180 VanDerWaalsContact O-N 3.13Å
178S97.3Very high97.6Very high44 Ų4432.7 Ų32.731%0.30820%0.2SC..G310 helixtrans-64.3-33.8174.773.40000111.7D176 M180 I181D176-S178 PolarHBondContact O-N 3.28Å; D176-S178 VanDerWaalsContact OD1-CB 3.22Å; D176-S178 WeakPolarHBondContact OD1-CB 3.5Å; D176-S178 PolarHBondContact OD1-N 3.21Å; D176-S178 PolarHBondContact OD1-OG 3.09Å; D176-S178 PolarHBondContact OD2-OG 2.77Å; S178-M180 PolarHBondContact O-N 2.97Å; S178-I181 WeakPolarHBondContact O-CG1 3.48Å; S178-I181 PolarHBondContact O-N 3.48Å
179L97.7Very high97.6Very high28 Ų2832.8 Ų32.815%0.14720%0.201CC..G310 helixtrans-71.6-14.2176.8-57.2-179.4000112.8L19 M47 I136 T138 D176 S177L19-L179 HydrophobicContact CD2-CD1 4.17Å; L19-L179 HydrophobicContact CD2-CD2 4.36Å; M47-L179 HydrophobicContact CE-CB 4.25Å; M47-L179 HydrophobicContact CE-CD2 4.12Å; M47-L179 HydrophobicContact SD-CD2 4.29Å; I136-L179 HydrophobicContact CG2-CD1 3.68Å; T138-L179 HydrophobicContact CG2-CB 4.33Å; D176-L179 HydrophobicContact CB-CD1 4.01Å; D176-L179 HydrophobicContact CB-CG 3.99Å; D176-L179 WeakPolarHBondContact O-CB 3.4Å; D176-L179 PolarHBondContact O-N 3.06Å; D176-L179 VanDerWaalsContact O-N 3.13Å; S177-L179 VanDerWaalsContact C-N 3.28Å; S177-L179 PolarHBondContact O-N 2.99Å
180M98Very high97.5Very high0 Ų032 Ų320%020%0.197CC..G310 helixtrans-95-10.2-179.5-54-172-174.500113A140 N175 S177 S178 G182 M183 R240 A244A140-M180 HydrophobicContact CB-SD 3.99Å; N175-M180 HydrophobicContact CB-CE 4.48Å; N175-M180 WeakPolarHBondContact OD1-CE 3.47Å; S177-M180 WeakPolarHBondContact O-CB 3.48Å; S177-M180 PolarHBondContact O-N 3.15Å; S177-M180 VanDerWaalsContact O-N 3.13Å; S178-M180 PolarHBondContact O-N 2.97Å; M180-G182 VanDerWaalsContact C-N 3.26Å; M180-G182 PolarHBondContact O-N 3.3Å; M180-M183 HydrophobicContact CB-SD 3.99Å; M180-M183 WeakPolarHBondContact O-CB 3.35Å; M180-M183 VanDerWaalsContact O-CG 3.28Å; M180-M183 WeakPolarHBondContact O-CG 3.46Å; M180-M183 PolarHBondContact O-N 3.12Å; M180-M183 VanDerWaalsContact O-N 3.16Å; M180-R240 PolarHBondContact O-NE 3Å; M180-R240 PolarHBondContact O-NH1 3.35Å; M180-R240 PolarHBondContact O-NH2 3.25Å; M180-A244 HydrophobicContact CE-CB 3.97Å; M180-A244 HydrophobicContact SD-CB 3.81Å
181I96.6Very high97.5Very high60 Ų6032.6 Ų32.631%0.30820%0.2SC..THydrogen-bonded Turntrans-57.6-40.7-177.2-68.6-79.3000111.3S178 M183 A237 R240S178-I181 WeakPolarHBondContact O-CG1 3.48Å; S178-I181 PolarHBondContact O-N 3.48Å; I181-M183 PolarHBondContact O-N 3.07Å; I181-A237 HydrophobicContact CD1-CB 4.49Å; I181-R240 HydrophobicContact CD1-CB 4.34Å; I181-R240 HydrophobicContact CD1-CG 3.8Å; I181-R240 PolarHBondContact O-NH2 3.26Å
182G93.6Very high97.6Very high71 Ų7129.5 Ų29.573%0.73218%0.184SC*.THydrogen-bonded Turntrans-73.1-4.1-177.800000115.6M180 P184M180-G182 VanDerWaalsContact C-N 3.26Å; M180-G182 PolarHBondContact O-N 3.3Å; G182-P184 WeakPolarHBondContact O-CD 3.43Å
183M96.7Very high97.6Very high16 Ų1629.5 Ų29.58%0.07918%0.184CC..  trans-63128.3-179.3-67.7175.171.200111.2T139 M180 I181 L187 T188 T191 R240T139-M183 HydrophobicContact CG2-CE 4.32Å; M180-M183 HydrophobicContact CB-SD 3.99Å; M180-M183 WeakPolarHBondContact O-CB 3.35Å; M180-M183 VanDerWaalsContact O-CG 3.28Å; M180-M183 WeakPolarHBondContact O-CG 3.46Å; M180-M183 PolarHBondContact O-N 3.12Å; M180-M183 VanDerWaalsContact O-N 3.16Å; I181-M183 PolarHBondContact O-N 3.07Å; M183-L187 HydrophobicContact CE-CD2 4.09Å; M183-L187 HydrophobicContact CE-CG 3.81Å; M183-L187 HydrophobicContact CG-CD2 4.49Å; M183-T188 WeakPolarHBondContact CB-OG1 3.24Å; M183-T188 PolarHBondContact O-OG1 3.19Å; M183-T191 HydrophobicContact CE-CG2 4.09Å; M183-T191 WeakPolarHBondContact CE-OG1 3.21Å; M183-R240 PolarHBondContact O-NH2 3Å
184P96.3Very high97.6Very high76 Ų7629.7 Ų29.749%0.49419%0.186SC..  trans-57.7156.6173.1-24.333.6000112.6G182 S186 L187 T188G182-P184 WeakPolarHBondContact O-CD 3.43Å; P184-S186 PolarHBondContact O-N 3.36Å; P184-L187 HydrophobicContact CB-CB 4.47Å; P184-L187 PolarHBondContact O-N 3.38Å; P184-T188 WeakPolarHBondContact O-CB 3.35Å; P184-T188 PolarHBondContact O-N 2.89Å; P184-T188 PolarHBondContact O-OG1 3.42Å
185K98.1Very high97.6Very high126 Ų12629.7 Ų29.755%0.54819%0.186SC..Hα-helixtrans-54.2-49.4179.5-66.4-164.5167-164.70112.5L187 T188 A189 V231 E232K185-L187 PolarHBondContact O-N 2.9Å; K185-T188 WeakPolarHBondContact O-CB 3.38Å; K185-T188 PolarHBondContact O-N 2.97Å; K185-A189 WeakPolarHBondContact O-CB 3.13Å; K185-A189 PolarHBondContact O-N 3.11Å; K185-V231 HydrophobicContact CB-CG1 4.36Å; K185-V231 WeakPolarHBondContact CD-O 3.29Å; K185-V231 WeakPolarHBondContact CE-O 3.36Å; K185-V231 VanDerWaalsContact CG-O 3.26Å; K185-V231 WeakPolarHBondContact CG-O 3.42Å; K185-E232 VanDerWaalsContact CE-O 3.22Å; K185-E232 WeakPolarHBondContact CE-O 3.47Å; K185-E232 PolarHBondContact NZ-O 3.43Å
186S96.8Very high97.6Very high91 Ų9129.7 Ų29.764%0.63619%0.186SC*.Hα-helixtrans-62-41.1179.954.40000112.6P184 A189 A190P184-S186 PolarHBondContact O-N 3.36Å; S186-A189 PolarHBondContact O-N 3.25Å; S186-A190 WeakPolarHBondContact O-CB 3.22Å; S186-A190 PolarHBondContact O-N 2.82Å
187L96.7Very high97.6Very high74 Ų7429.5 Ų29.539%0.38719%0.185SC..Hα-helixtrans-66.8-43.3176.6-175.561.9000110.9M183 P184 K185 A189 A190 T191M183-L187 HydrophobicContact CE-CD2 4.09Å; M183-L187 HydrophobicContact CE-CG 3.81Å; M183-L187 HydrophobicContact CG-CD2 4.49Å; P184-L187 HydrophobicContact CB-CB 4.47Å; P184-L187 PolarHBondContact O-N 3.38Å; K185-L187 PolarHBondContact O-N 2.9Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-A189 PolarHBondContact O-N 3.34Å; L187-A190 PolarHBondContact O-N 3.16Å; L187-T191 HydrophobicContact CD1-CG2 3.82Å; L187-T191 HydrophobicContact CG-CG2 4.17Å; L187-T191 WeakPolarHBondContact O-CB 3.33Å; L187-T191 VanDerWaalsContact O-CG2 3.29Å; L187-T191 WeakPolarHBondContact O-CG2 3.26Å; L187-T191 PolarHBondContact O-N 3.21Å; L187-T191 PolarHBondContact O-OG1 3.33Å
188T98.5Very high97.7Very high2 Ų229.6 Ų29.61%0.01219%0.185CC..Hα-helixtrans-59.7-44.7177.2-550000111.5M183 P184 K185 T191 G192 L227 A230 V231 R240M183-T188 WeakPolarHBondContact CB-OG1 3.24Å; M183-T188 PolarHBondContact O-OG1 3.19Å; P184-T188 WeakPolarHBondContact O-CB 3.35Å; P184-T188 PolarHBondContact O-N 2.89Å; P184-T188 PolarHBondContact O-OG1 3.42Å; K185-T188 WeakPolarHBondContact O-CB 3.38Å; K185-T188 PolarHBondContact O-N 2.97Å; T188-T191 PolarHBondContact O-OG1 3.31Å; T188-G192 PolarHBondContact O-N 3.44Å; T188-L227 HydrophobicContact CG2-CD1 4.43Å; T188-L227 WeakPolarHBondContact O-CD1 3.37Å; T188-A230 HydrophobicContact CG2-CB 4.01Å; T188-V231 HydrophobicContact CG2-CG2 3.81Å; T188-R240 VanDerWaalsContact CG2-NH1 3.25Å; T188-R240 PolarHBondContact OG1-NH1 3.19Å
189A98.5Very high97.7Very high2 Ų227.5 Ų27.52%0.01717%0.17CC..Hα-helixtrans-61.7-51.3176.100000111.5K185 S186 L187 T191 G192 M193 V231 V334 I336K185-A189 WeakPolarHBondContact O-CB 3.13Å; K185-A189 PolarHBondContact O-N 3.11Å; S186-A189 PolarHBondContact O-N 3.25Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-A189 PolarHBondContact O-N 3.34Å; A189-T191 PolarHBondContact O-N 3.42Å; A189-G192 PolarHBondContact O-N 3.4Å; A189-M193 WeakPolarHBondContact O-CB 3.45Å; A189-M193 WeakPolarHBondContact O-CG 3.41Å; A189-M193 PolarHBondContact O-N 3.03Å; A189-V231 HydrophobicContact CB-CG1 4.42Å; A189-V231 HydrophobicContact CB-CG2 3.9Å; A189-V334 HydrophobicContact CB-CB 3.96Å; A189-V334 HydrophobicContact CB-CG2 3.96Å; A189-V334 WeakPolarHBondContact CB-O 3.45Å; A189-I336 HydrophobicContact CB-CD1 4.2Å
190A97.5Very high97.8Very high8 Ų826.2 Ų26.27%0.06616%0.163CC..Hα-helixtrans-62.3-45.5-178.400000112.4S186 L187 G194 G278 V279S186-A190 WeakPolarHBondContact O-CB 3.22Å; S186-A190 PolarHBondContact O-N 2.82Å; L187-A190 PolarHBondContact O-N 3.16Å; A190-G194 PolarHBondContact O-N 2.84Å; A190-G278 CarbonylContact O-C 3.18Å; A190-G278 WeakPolarHBondContact O-CA 3.12Å; A190-V279 HydrophobicContact CB-CG2 3.6Å
191T98.2Very high97.8Very high14 Ų1426.2 Ų26.29%0.08616%0.163CC..Hα-helixtrans-70.1-40.2-179.961.30000111.2A140 G141 M183 L187 T188 A189 G194 A195A140-T191 CarbonylContact O-C 3.58Å; A140-T191 VanDerWaalsContact O-CB 3.29Å; A140-T191 WeakPolarHBondContact O-CB 3.21Å; A140-T191 PolarHBondContact O-OG1 2.99Å; A140-T191 VanDerWaalsContact O-OG1 3.05Å; G141-T191 WeakPolarHBondContact CA-O 3.42Å; M183-T191 HydrophobicContact CE-CG2 4.09Å; M183-T191 WeakPolarHBondContact CE-OG1 3.21Å; L187-T191 HydrophobicContact CD1-CG2 3.82Å; L187-T191 HydrophobicContact CG-CG2 4.17Å; L187-T191 WeakPolarHBondContact O-CB 3.33Å; L187-T191 VanDerWaalsContact O-CG2 3.29Å; L187-T191 WeakPolarHBondContact O-CG2 3.26Å; L187-T191 PolarHBondContact O-N 3.21Å; L187-T191 PolarHBondContact O-OG1 3.33Å; T188-T191 PolarHBondContact O-OG1 3.31Å; A189-T191 PolarHBondContact O-N 3.42Å; T191-G194 CarbonylContact O-C 3.52Å; T191-G194 WeakPolarHBondContact O-CA 3.23Å; T191-G194 PolarHBondContact O-N 3.37Å; T191-G194 VanDerWaalsContact O-N 3.14Å; T191-A195 PolarHBondContact O-N 3.19Å
192G98.7Very high98Very high0 Ų023.4 Ų23.40%015%0.149CC..Hα-helixtrans-65-39.9178.100000113.2A140 T188 A189 G194 A195 L196A140-G192 PolarHBondContact O-N 3.11Å; T188-G192 PolarHBondContact O-N 3.44Å; A189-G192 PolarHBondContact O-N 3.4Å; G192-G194 VanDerWaalsContact C-N 3.32Å; G192-A195 PolarHBondContact O-N 2.99Å; G192-L196 PolarHBondContact O-N 3.35Å
193M98.7Very high98.2Very high0 Ų020.6 Ų20.60%012%0.116CC..Hα-helixtrans-69.7-31171.9-70.3-61.9-61.600112.5A189 L196 T197 L227 A282 I327 L330 A331 V334 I336A189-M193 WeakPolarHBondContact O-CB 3.45Å; A189-M193 WeakPolarHBondContact O-CG 3.41Å; A189-M193 PolarHBondContact O-N 3.03Å; M193-L196 HydrophobicContact CE-CD2 3.98Å; M193-L196 PolarHBondContact O-N 3.16Å; M193-L196 HydrophobicContact SD-CD2 4.02Å; M193-T197 PolarHBondContact O-N 2.78Å; M193-T197 PolarHBondContact O-OG1 2.88Å; M193-L227 HydrophobicContact CG-CD2 4Å; M193-L227 HydrophobicContact SD-CD2 3.91Å; M193-A282 HydrophobicContact CB-CB 3.48Å; M193-A282 VanDerWaalsContact CB-CB 3.48Å; M193-A282 HydrophobicContact CE-CB 4.42Å; M193-A282 HydrophobicContact CG-CB 4.14Å; M193-I327 HydrophobicContact CE-CG2 4.43Å; M193-L330 HydrophobicContact SD-CD2 3.99Å; M193-L330 HydrophobicContact SD-CG 3.9Å; M193-A331 HydrophobicContact CE-CB 3.87Å; M193-V334 HydrophobicContact CG-CG2 4.03Å; M193-V334 HydrophobicContact SD-CG2 4.4Å; M193-I336 HydrophobicContact CB-CD1 4.39Å; M193-I336 HydrophobicContact CG-CD1 4.06Å; M193-I336 HydrophobicContact CG-CG1 3.94Å
194G97.9Very high98.3Very high3 Ų320.1 Ų20.13%0.03111%0.114CC..Hα-helixtrans-58.5-49.6167.400000111.9A190 T191 G192 L196 T197 H198A190-G194 PolarHBondContact O-N 2.84Å; T191-G194 CarbonylContact O-C 3.52Å; T191-G194 WeakPolarHBondContact O-CA 3.23Å; T191-G194 PolarHBondContact O-N 3.37Å; T191-G194 VanDerWaalsContact O-N 3.14Å; G192-G194 VanDerWaalsContact C-N 3.32Å; G194-L196 VanDerWaalsContact C-N 3.31Å; G194-L196 PolarHBondContact O-N 3.46Å; G194-T197 WeakPolarHBondContact O-CB 3.08Å; G194-T197 PolarHBondContact O-N 3.38Å; G194-T197 VanDerWaalsContact O-N 3.14Å; G194-H198 PolarHBondContact O-N 3.23Å
195A98.8Very high98.4Very high0 Ų016.8 Ų16.80%09%0.093CC..Hα-helixtrans-61.9-36.3174.900000112.9T191 G192 T197 H198 A199 I223 Q247 A250T191-A195 PolarHBondContact O-N 3.19Å; G192-A195 PolarHBondContact O-N 2.99Å; A195-T197 VanDerWaalsContact C-N 3.31Å; A195-H198 WeakPolarHBondContact O-CB 3.44Å; A195-H198 PolarHBondContact O-N 3.48Å; A195-A199 PolarHBondContact O-N 3.31Å; A195-I223 HydrophobicContact CB-CD1 3.7Å; A195-Q247 HydrophobicContact CB-CB 3.94Å; A195-A250 HydrophobicContact CB-CB 4.48Å; A195-A250 WeakPolarHBondContact O-CB 3.28Å
196L98.9Very high98.4Very high0 Ų015.9 Ų15.90%09%0.093CC..Hα-helixtrans-63.4-43175-175.263000110.8G192 M193 G194 A199 I200 V220 I223 L285 M307 L330G192-L196 PolarHBondContact O-N 3.35Å; M193-L196 HydrophobicContact CE-CD2 3.98Å; M193-L196 PolarHBondContact O-N 3.16Å; M193-L196 HydrophobicContact SD-CD2 4.02Å; G194-L196 VanDerWaalsContact C-N 3.31Å; G194-L196 PolarHBondContact O-N 3.46Å; L196-A199 PolarHBondContact O-N 3.24Å; L196-I200 HydrophobicContact CD1-CD1 3.98Å; L196-I200 HydrophobicContact CD1-CG1 4.31Å; L196-I200 HydrophobicContact CD2-CD1 4.47Å; L196-I200 HydrophobicContact CG-CD1 3.89Å; L196-I200 HydrophobicContact CG-CG1 4.48Å; L196-I200 WeakPolarHBondContact O-CG1 3.4Å; L196-I200 PolarHBondContact O-N 3.43Å; L196-V220 HydrophobicContact CD1-CB 4.41Å; L196-V220 HydrophobicContact CD1-CG1 4.2Å; L196-V220 HydrophobicContact CD1-CG2 4.16Å; L196-I223 HydrophobicContact CB-CD1 4.26Å; L196-I223 HydrophobicContact CB-CG2 4.06Å; L196-I223 HydrophobicContact CD1-CB 4.43Å; L196-I223 HydrophobicContact CD1-CG2 4.26Å; L196-L285 HydrophobicContact CD2-CD2 4.32Å; L196-L285 HydrophobicContact CG-CD2 4.36Å; L196-M307 HydrophobicContact CD2-CE 4.3Å; L196-L330 HydrophobicContact CD2-CD2 3.73Å
197T98.9Very high98.5Very high0 Ų013.5 Ų13.50%08%0.078CC..Hα-helixtrans-59.6-47.6176.1-55.60000110.3M193 G194 A195 A199 I200 E201 V262 H263 N281 L285M193-T197 PolarHBondContact O-N 2.78Å; M193-T197 PolarHBondContact O-OG1 2.88Å; G194-T197 WeakPolarHBondContact O-CB 3.08Å; G194-T197 PolarHBondContact O-N 3.38Å; G194-T197 VanDerWaalsContact O-N 3.14Å; A195-T197 VanDerWaalsContact C-N 3.31Å; T197-A199 VanDerWaalsContact C-N 3.33Å; T197-A199 PolarHBondContact O-N 3.4Å; T197-I200 PolarHBondContact O-N 2.83Å; T197-E201 HydrophobicContact CG2-CG 4.16Å; T197-E201 WeakPolarHBondContact O-CB 3.29Å; T197-E201 WeakPolarHBondContact O-CG 3.37Å; T197-E201 PolarHBondContact O-N 2.8Å; T197-V262 HydrophobicContact CG2-CB 3.71Å; T197-V262 HydrophobicContact CG2-CG1 3.47Å; T197-V262 VanDerWaalsContact CG2-CG1 3.47Å; T197-V262 HydrophobicContact CG2-CG2 4.16Å; T197-H263 VanDerWaalsContact CG2-CE1 3.47Å; T197-H263 WeakPolarHBondContact CG2-CE1 3.32Å; T197-N281 HydrophobicContact CG2-CB 4.05Å; T197-L285 HydrophobicContact CG2-CD1 4.22Å
198H98.8Very high98.5Very high7 Ų711.4 Ų11.43%0.0327%0.072CC..Hα-helixtrans-53.8-49.7175.1-66.9153000112G141 G194 A195 A202 A250 F254 L259 H263G141-H198 PolarHBondContact O-CE1 2.94Å; G141-H198 VanDerWaalsContact O-CE1 3.3Å; G141-H198 PolarHBondContact O-ND1 3.31Å; G141-H198 VanDerWaalsContact O-ND1 3.16Å; G194-H198 PolarHBondContact O-N 3.23Å; A195-H198 WeakPolarHBondContact O-CB 3.44Å; A195-H198 PolarHBondContact O-N 3.48Å; H198-A202 WeakPolarHBondContact O-CB 3.5Å; H198-A202 PolarHBondContact O-N 3.31Å; H198-A250 HydrophobicContact CB-CB 3.97Å; H198-F254 HydrophobicContact CB-CB 4.33Å; H198-F254 HydrophobicContact CB-CD1 3.68Å; H198-F254 HydrophobicContact CB-CE1 4.28Å; H198-F254 HydrophobicContact CB-CG 4.22Å; H198-F254 AromaticContact CD2-CD1 3.99Å; H198-F254 AromaticContact CE1-CE1 3.8Å; H198-F254 AromaticContact CG-CD1 3.64Å; H198-F254 AromaticContact CG-CE1 3.77Å; H198-F254 AromaticContact ND1-CD1 3.95Å; H198-F254 AromaticContact ND1-CE1 3.63Å; H198-L259 HydrophobicContact CB-CD2 4.42Å; H198-H263 AromaticContact CD2-CE1 3.29Å; H198-H263 PolarHBondContact CD2-CE1 3.29Å; H198-H263 AromaticContact CD2-NE2 3.23Å; H198-H263 PolarHBondContact CD2-NE2 2.67Å; H198-H263 AromaticContact NE2-CE1 3.71Å; H198-H263 AromaticContact NE2-NE2 3.14Å; H198-H263 PolarHBondContact NE2-NE2 3.41Å; H198-H263 VanDerWaalsContact NE2-NE2 3.14Å
199A98.9Very high98.5Very high0 Ų012.5 Ų12.50%08%0.079CC..Hα-helixtrans-64-46.1-177.400000111.9A195 L196 T197 Y203 A216 A219 V220 A250A195-A199 PolarHBondContact O-N 3.31Å; L196-A199 PolarHBondContact O-N 3.24Å; T197-A199 VanDerWaalsContact C-N 3.33Å; T197-A199 PolarHBondContact O-N 3.4Å; A199-Y203 WeakPolarHBondContact O-CB 3.21Å; A199-Y203 PolarHBondContact O-N 3.39Å; A199-A216 WeakPolarHBondContact O-CB 3.36Å; A199-A219 HydrophobicContact CB-CB 3.85Å; A199-V220 HydrophobicContact CB-CG2 3.73Å; A199-A250 HydrophobicContact CB-CB 4.03Å
200I98.9Very high98.5Very high0 Ų017 Ų170%011%0.108CC..Hα-helixtrans-67.8-45-179.3-67.2177.2000111L196 T197 Y203 V204 V220 L285 Q289 L300 I327L196-I200 HydrophobicContact CD1-CD1 3.98Å; L196-I200 HydrophobicContact CD1-CG1 4.31Å; L196-I200 HydrophobicContact CD2-CD1 4.47Å; L196-I200 HydrophobicContact CG-CD1 3.89Å; L196-I200 HydrophobicContact CG-CG1 4.48Å; L196-I200 WeakPolarHBondContact O-CG1 3.4Å; L196-I200 PolarHBondContact O-N 3.43Å; T197-I200 PolarHBondContact O-N 2.83Å; I200-Y203 PolarHBondContact O-N 3.23Å; I200-V204 WeakPolarHBondContact O-CG2 3.36Å; I200-V204 PolarHBondContact O-N 3Å; I200-V220 HydrophobicContact CG1-CG2 3.91Å; I200-L285 HydrophobicContact CB-CD1 4.46Å; I200-L285 HydrophobicContact CD1-CD2 4.28Å; I200-L285 HydrophobicContact CG2-CD1 4.3Å; I200-Q289 HydrophobicContact CG2-CG 4.11Å; I200-L300 HydrophobicContact CG2-CD2 4.12Å; I200-I327 HydrophobicContact CD1-CD1 3.67Å; I200-I327 HydrophobicContact CD1-CG1 4.04Å
201E98.9Very high98.6Very high1 Ų121.3 Ų21.31%0.00513%0.129CC..Hα-helixtrans-65-42.2178.3-70.9-153.8116.200112.4T197 Y203 V204 S205 L259 G260 Y261 V262 H263T197-E201 HydrophobicContact CG2-CG 4.16Å; T197-E201 WeakPolarHBondContact O-CB 3.29Å; T197-E201 WeakPolarHBondContact O-CG 3.37Å; T197-E201 PolarHBondContact O-N 2.8Å; E201-Y203 VanDerWaalsContact C-N 3.26Å; E201-Y203 PolarHBondContact O-N 2.81Å; E201-V204 PolarHBondContact O-N 2.83Å; E201-S205 WeakPolarHBondContact O-CB 3.33Å; E201-S205 PolarHBondContact O-N 3.14Å; E201-L259 HydrophobicContact CB-CB 4.35Å; E201-L259 HydrophobicContact CB-CD2 3.86Å; E201-G260 VanDerWaalsContact CD-N 3.29Å; E201-G260 WeakPolarHBondContact OE1-CA 3.08Å; E201-G260 PolarHBondContact OE1-N 3.47Å; E201-G260 VanDerWaalsContact OE1-N 3.17Å; E201-G260 PolarHBondContact OE2-N 3.29Å; E201-Y261 PolarHBondContact OE1-N 3.24Å; E201-Y261 VanDerWaalsContact OE1-N 3.14Å; E201-V262 VanDerWaalsContact CD-CB 3.44Å; E201-V262 HydrophobicContact CG-CB 4.27Å; E201-V262 HydrophobicContact CG-CG2 4.02Å; E201-V262 WeakPolarHBondContact OE1-CA 3.41Å; E201-V262 VanDerWaalsContact OE1-CB 3.28Å; E201-V262 WeakPolarHBondContact OE1-CB 3.42Å; E201-V262 VanDerWaalsContact OE1-CG2 3.31Å; E201-V262 WeakPolarHBondContact OE1-CG2 3.43Å; E201-V262 PolarHBondContact OE1-N 2.78Å; E201-H263 IonicContact OE2-CE1 2.81Å; E201-H263 IonicContact OE2-CG 3.3Å; E201-H263 PolarHBondContact OE2-N 3.14Å; E201-H263 IonicContact OE2-ND1 3.7Å; E201-H263 PolarHBondContact OE2-ND1 3.17Å
202A98.9Very high98.6Very high0 Ų020.6 Ų20.60%013%0.125CC..Hα-helixtrans-60.8-38.5173.600000111.7H198 A253 F254 A257H198-A202 WeakPolarHBondContact O-CB 3.5Å; H198-A202 PolarHBondContact O-N 3.31Å; A202-A253 HydrophobicContact CB-CB 3.68Å; A202-F254 HydrophobicContact CB-CB 3.89Å; A202-A257 HydrophobicContact CB-CB 4.17Å; A202-A257 WeakPolarHBondContact O-CB 3.38Å
203Y98.9Very high98.6Very high13 Ų1322 Ų225%0.05113%0.132CC..Hα-helixtrans-67.5-44.6177.1-162.5-108.5000111.3A199 I200 E201 S205 D213 A216 L217 R299 D302 C303A199-Y203 WeakPolarHBondContact O-CB 3.21Å; A199-Y203 PolarHBondContact O-N 3.39Å; I200-Y203 PolarHBondContact O-N 3.23Å; E201-Y203 VanDerWaalsContact C-N 3.26Å; E201-Y203 PolarHBondContact O-N 2.81Å; Y203-S205 VanDerWaalsContact C-N 3.32Å; Y203-S205 PolarHBondContact O-N 3.12Å; Y203-D213 HydrophobicContact CD2-CB 4.08Å; Y203-D213 HydrophobicContact CE2-CB 3.66Å; Y203-A216 HydrophobicContact CD2-CB 4.05Å; Y203-A216 HydrophobicContact CG-CB 4.48Å; Y203-L217 HydrophobicContact CD1-CD2 4.33Å; Y203-L217 HydrophobicContact CD2-CD2 4.09Å; Y203-L217 HydrophobicContact CD2-CG 3.85Å; Y203-L217 HydrophobicContact CE1-CD2 4.02Å; Y203-L217 HydrophobicContact CE2-CD1 3.6Å; Y203-L217 HydrophobicContact CE2-CD2 3.76Å; Y203-L217 HydrophobicContact CE2-CG 3.38Å; Y203-L217 HydrophobicContact CG-CD2 4.37Å; Y203-R299 HydrophobicContact CD1-CB 3.91Å; Y203-R299 HydrophobicContact CE1-CB 3.72Å; Y203-R299 HydrophobicContact CE1-CG 4.27Å; Y203-R299 WeakPolarHBondContact CE1-O 3.35Å; Y203-R299 PolarHBondContact O-NE 3.14Å; Y203-R299 PolarHBondContact O-NH2 3.05Å; Y203-D302 HydrophobicContact CE1-CB 3.82Å; Y203-D302 PolarHBondContact OH-OD2 3.39Å; Y203-C303 VanDerWaalsContact CD1-SG 3.58Å
204V98.8Very high98.6Very high5 Ų525.1 Ų25.13%0.0316%0.157CC..Hα-helixtrans-84.1-5.8-177.9-55.90000114I200 E201 A296 R299 L300 P367I200-V204 WeakPolarHBondContact O-CG2 3.36Å; I200-V204 PolarHBondContact O-N 3Å; E201-V204 PolarHBondContact O-N 2.83Å; V204-A296 HydrophobicContact CB-CB 4.01Å; V204-A296 HydrophobicContact CG1-CB 4.05Å; V204-R299 HydrophobicContact CG1-CB 4.25Å; V204-L300 HydrophobicContact CG1-CD2 3.9Å; V204-L300 HydrophobicContact CG1-CG 4.24Å; V204-P367 HydrophobicContact CB-CG 4.21Å; V204-P367 HydrophobicContact CG2-CG 4.05Å; V204-P367 WeakPolarHBondContact O-CB 3.42Å; V204-P367 WeakPolarHBondContact O-CD 3.32Å
205S98.7Very high98.7Very high6 Ų625.6 Ų25.64%0.04216%0.16CC..SBendtrans-58.7145.7-179.8170.20000113.3E201 Y203 A207 A208 A257 T365E201-S205 WeakPolarHBondContact O-CB 3.33Å; E201-S205 PolarHBondContact O-N 3.14Å; Y203-S205 VanDerWaalsContact C-N 3.32Å; Y203-S205 PolarHBondContact O-N 3.12Å; S205-A207 PolarHBondContact O-N 2.75Å; S205-A207 PolarHBondContact OG-N 3.49Å; S205-A208 WeakPolarHBondContact O-CB 3.08Å; S205-A208 PolarHBondContact O-N 2.86Å; S205-A257 VanDerWaalsContact CB-O 3.26Å; S205-A257 WeakPolarHBondContact CB-O 3.5Å; S205-A257 PolarHBondContact OG-O 3.32Å; S205-T365 WeakPolarHBondContact CA-O 3.31Å; S205-T365 WeakPolarHBondContact OG-CB 3.38Å; S205-T365 PolarHBondContact OG-O 3.42Å
206I97.9Very high98.7Very high107 Ų10725.6 Ų25.655%0.54916%0.16SC..THydrogen-bonded Turntrans-68-15171.670.1179.2000113.2F364 T365I206-F364 WeakPolarHBondContact CD1-O 3.3Å; I206-T365 HydrophobicContact CG1-CG2 4.39Å; I206-T365 PolarHBondContact N-O 3.29Å
207A97.5Very high98.7Very high41 Ų4127.8 Ų27.834%0.33917%0.172SC..THydrogen-bonded Turntrans-97.38.3176.500000112.8S205 T365S205-A207 PolarHBondContact O-N 2.75Å; S205-A207 PolarHBondContact OG-N 3.49Å; A207-T365 HydrophobicContact CB-CG2 4.09Å
208A98.4Very high98.7Very high31 Ų3132.7 Ų32.726%0.25619%0.193SC..  trans-59.8146.1176.400000112.7S205S205-A208 WeakPolarHBondContact O-CB 3.08Å; S205-A208 PolarHBondContact O-N 2.86Å
209T98.4Very high98.7Very high25 Ų2532.3 Ų32.315%0.15319%0.191CC..  trans-134.2163.317969.30000109.7I211 T212 D213T209-I211 PolarHBondContact O-N 2.75Å; T209-I211 VanDerWaalsContact O-N 3.1Å; T209-I211 PolarHBondContact OG1-N 3.03Å; T209-T212 PolarHBondContact N-OG1 3Å; T209-T212 PolarHBondContact O-N 2.84Å; T209-T212 VanDerWaalsContact O-N 3.13Å; T209-T212 PolarHBondContact O-OG1 3.5Å; T209-T212 PolarHBondContact OG1-N 3.48Å; T209-T212 PolarHBondContact OG1-OG1 3.25Å; T209-D213 WeakPolarHBondContact O-CB 3.39Å; T209-D213 VanDerWaalsContact O-CG 3.24Å; T209-D213 PolarHBondContact O-N 3.3Å
210P98.2Very high98.7Very high97 Ų9732.3 Ų32.363%0.6319%0.191SC*.Hα-helixtrans-55-31.6175.4-28.436.4000114.5A214P210-A214 PolarHBondContact O-N 3.25Å; P210-A214 VanDerWaalsContact O-N 3.16Å
211I98.6Very high98.7Very high97 Ų9733.8 Ų33.850%0.49720%0.2SC..Hα-helixtrans-71.3-49177.7-59.1177.2000110.3F6 T209 D213 A214 C215F6-I211 HydrophobicContact CD2-CB 4.42Å; F6-I211 HydrophobicContact CD2-CG2 3.76Å; F6-I211 HydrophobicContact CE2-CB 4.4Å; F6-I211 HydrophobicContact CE2-CG2 3.42Å; F6-I211 VanDerWaalsContact CE2-CG2 3.42Å; F6-I211 HydrophobicContact CZ-CG2 4.02Å; T209-I211 PolarHBondContact O-N 2.75Å; T209-I211 VanDerWaalsContact O-N 3.1Å; T209-I211 PolarHBondContact OG1-N 3.03Å; I211-D213 VanDerWaalsContact C-N 3.26Å; I211-D213 PolarHBondContact O-N 2.99Å; I211-A214 PolarHBondContact O-N 3.3Å; I211-C215 PolarHBondContact O-N 3.31Å; I211-C215 VanDerWaalsContact O-N 3.17Å; I211-C215 PolarHBondContact O-SG 2.86Å
212T98.8Very high98.7Very high0 Ų035 Ų350%021%0.206CC..Hα-helixtrans-65.8-34.3179.158.10000111F6 T209 C215 A216 A253 N256 A257F6-T212 HydrophobicContact CE2-CG2 4.49Å; T209-T212 PolarHBondContact N-OG1 3Å; T209-T212 PolarHBondContact O-N 2.84Å; T209-T212 VanDerWaalsContact O-N 3.13Å; T209-T212 PolarHBondContact O-OG1 3.5Å; T209-T212 PolarHBondContact OG1-N 3.48Å; T209-T212 PolarHBondContact OG1-OG1 3.25Å; T212-C215 PolarHBondContact O-N 3.3Å; T212-A216 WeakPolarHBondContact O-CB 3.5Å; T212-A216 PolarHBondContact O-N 3.21Å; T212-A253 WeakPolarHBondContact CG2-O 3.41Å; T212-A253 WeakPolarHBondContact O-CB 3.08Å; T212-N256 HydrophobicContact CG2-CB 3.72Å; T212-A257 HydrophobicContact CG2-CB 3.98Å
213D98.8Very high98.7Very high30 Ų3035 Ų3516%0.1621%0.206CC..Hα-helixtrans-62.2-47.6176.8-78.612.6000112Y203 T209 I211 C215 A216 L217 R299Y203-D213 HydrophobicContact CD2-CB 4.08Å; Y203-D213 HydrophobicContact CE2-CB 3.66Å; T209-D213 WeakPolarHBondContact O-CB 3.39Å; T209-D213 VanDerWaalsContact O-CG 3.24Å; T209-D213 PolarHBondContact O-N 3.3Å; I211-D213 VanDerWaalsContact C-N 3.26Å; I211-D213 PolarHBondContact O-N 2.99Å; D213-C215 VanDerWaalsContact C-N 3.33Å; D213-C215 PolarHBondContact O-N 2.94Å; D213-A216 PolarHBondContact O-N 2.67Å; D213-L217 WeakPolarHBondContact O-CB 3.4Å; D213-L217 WeakPolarHBondContact O-CG 3.28Å; D213-L217 PolarHBondContact O-N 3.31Å; D213-R299 IonicContact OD1-CZ 2.81Å; D213-R299 IonicContact OD1-NH2 3.2Å; D213-R299 PolarHBondContact OD1-NH2 3.35Å; D213-R299 IonicContact OD2-CZ 2.85Å; D213-R299 IonicContact OD2-NH1 3.53Å; D213-R299 PolarHBondContact OD2-NH1 3.31Å; D213-R299 IonicContact OD2-NH2 3.18Å; D213-R299 PolarHBondContact OD2-NH2 2.79Å
214A98.9Very high98.7Very high64 Ų6435.4 Ų35.453%0.52921%0.213SC..Hα-helixtrans-60.9-43.3176.800000111.8P210 I211 K218P210-A214 PolarHBondContact O-N 3.25Å; P210-A214 VanDerWaalsContact O-N 3.16Å; I211-A214 PolarHBondContact O-N 3.3Å; A214-K218 WeakPolarHBondContact O-CB 3.46Å; A214-K218 PolarHBondContact O-N 2.95Å
215C98.9Very high98.7Very high13 Ų1340.6 Ų40.69%0.08824%0.236CC..Hα-helixtrans-66.5-47.6178.4-61.20000111.4I211 T212 D213 K218 A219 L249 M252 A253I211-C215 PolarHBondContact O-N 3.31Å; I211-C215 VanDerWaalsContact O-N 3.17Å; I211-C215 PolarHBondContact O-SG 2.86Å; T212-C215 PolarHBondContact O-N 3.3Å; D213-C215 VanDerWaalsContact C-N 3.33Å; D213-C215 PolarHBondContact O-N 2.94Å; C215-K218 PolarHBondContact O-N 3.31Å; C215-A219 WeakPolarHBondContact O-CB 3.47Å; C215-A219 PolarHBondContact O-N 2.84Å; C215-L249 HydrophobicContact CB-CD2 4.41Å; C215-L249 WeakPolarHBondContact CB-O 3.39Å; C215-M252 HydrophobicContact CB-CB 4.2Å; C215-A253 HydrophobicContact CB-CB 4.05Å
216A99Very high98.7Very high0 Ų041.2 Ų41.20%024%0.239CC..Hα-helixtrans-61.7-50.8-17900000112.3A199 Y203 T212 D213 K218 A219 V220 A253A199-A216 WeakPolarHBondContact O-CB 3.36Å; Y203-A216 HydrophobicContact CD2-CB 4.05Å; Y203-A216 HydrophobicContact CG-CB 4.48Å; T212-A216 WeakPolarHBondContact O-CB 3.5Å; T212-A216 PolarHBondContact O-N 3.21Å; D213-A216 PolarHBondContact O-N 2.67Å; A216-K218 VanDerWaalsContact C-N 3.31Å; A216-K218 PolarHBondContact O-N 3.35Å; A216-A219 WeakPolarHBondContact O-CB 3.37Å; A216-A219 PolarHBondContact O-N 3.14Å; A216-V220 WeakPolarHBondContact O-CG2 3.25Å; A216-V220 PolarHBondContact O-N 3Å; A216-A253 HydrophobicContact CB-CB 3.82Å
217L98.9Very high98.7Very high46 Ų4636.1 Ų36.124%0.24121%0.213CC..Hα-helixtrans-62.4-40.7179.3-72.1177000111.8Y203 D213 A219 V220 T221 D302 A306Y203-L217 HydrophobicContact CD1-CD2 4.33Å; Y203-L217 HydrophobicContact CD2-CD2 4.09Å; Y203-L217 HydrophobicContact CD2-CG 3.85Å; Y203-L217 HydrophobicContact CE1-CD2 4.02Å; Y203-L217 HydrophobicContact CE2-CD1 3.6Å; Y203-L217 HydrophobicContact CE2-CD2 3.76Å; Y203-L217 HydrophobicContact CE2-CG 3.38Å; Y203-L217 HydrophobicContact CG-CD2 4.37Å; D213-L217 WeakPolarHBondContact O-CB 3.4Å; D213-L217 WeakPolarHBondContact O-CG 3.28Å; D213-L217 PolarHBondContact O-N 3.31Å; L217-A219 VanDerWaalsContact C-N 3.32Å; L217-A219 PolarHBondContact O-N 3.46Å; L217-V220 PolarHBondContact O-N 3.41Å; L217-T221 PolarHBondContact O-N 3.08Å; L217-T221 PolarHBondContact O-OG1 2.84Å; L217-D302 HydrophobicContact CD2-CB 4.17Å; L217-A306 HydrophobicContact CD2-CB 4.05Å
218K98.9Very high98.8Very high103 Ų10334.8 Ų34.845%0.44820%0.201SC..Hα-helixtrans-65-38.9177.1-173.955.1179.3166.60111.6A214 C215 A216 T221 M222 L249A214-K218 WeakPolarHBondContact O-CB 3.46Å; A214-K218 PolarHBondContact O-N 2.95Å; C215-K218 PolarHBondContact O-N 3.31Å; A216-K218 VanDerWaalsContact C-N 3.31Å; A216-K218 PolarHBondContact O-N 3.35Å; K218-T221 PolarHBondContact O-N 3.06Å; K218-M222 HydrophobicContact CD-CG 4.25Å; K218-M222 HydrophobicContact CD-SD 4.25Å; K218-M222 HydrophobicContact CG-SD 4.05Å; K218-M222 VanDerWaalsContact O-CG 3.3Å; K218-M222 WeakPolarHBondContact O-CG 3.5Å; K218-M222 PolarHBondContact O-N 3.01Å; K218-L249 HydrophobicContact CB-CD1 4.24Å; K218-L249 HydrophobicContact CG-CD1 3.76Å
219A98.9Very high98.8Very high0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-61.2-48.1172.900000111.7A199 C215 A216 L217 T221 M222 I223 A246 L249 A250A199-A219 HydrophobicContact CB-CB 3.85Å; C215-A219 WeakPolarHBondContact O-CB 3.47Å; C215-A219 PolarHBondContact O-N 2.84Å; A216-A219 WeakPolarHBondContact O-CB 3.37Å; A216-A219 PolarHBondContact O-N 3.14Å; L217-A219 VanDerWaalsContact C-N 3.32Å; L217-A219 PolarHBondContact O-N 3.46Å; A219-T221 VanDerWaalsContact C-N 3.31Å; A219-T221 PolarHBondContact O-N 3.39Å; A219-M222 PolarHBondContact O-N 3Å; A219-I223 WeakPolarHBondContact O-CB 3.4Å; A219-I223 WeakPolarHBondContact O-CG1 3.34Å; A219-I223 PolarHBondContact O-N 3.45Å; A219-A246 WeakPolarHBondContact CB-O 3.46Å; A219-L249 HydrophobicContact CB-CB 3.93Å; A219-A250 HydrophobicContact CB-CB 3.92Å
220V99Very high98.8Very high0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-54.4-47.4176.6172.30000111.1L196 A199 I200 A216 L217 I223 A224 A306 M307L196-V220 HydrophobicContact CD1-CB 4.41Å; L196-V220 HydrophobicContact CD1-CG1 4.2Å; L196-V220 HydrophobicContact CD1-CG2 4.16Å; A199-V220 HydrophobicContact CB-CG2 3.73Å; I200-V220 HydrophobicContact CG1-CG2 3.91Å; A216-V220 WeakPolarHBondContact O-CG2 3.25Å; A216-V220 PolarHBondContact O-N 3Å; L217-V220 PolarHBondContact O-N 3.41Å; V220-I223 PolarHBondContact O-N 2.71Å; V220-A224 WeakPolarHBondContact O-CB 3.06Å; V220-A224 PolarHBondContact O-N 2.84Å; V220-A306 HydrophobicContact CB-CB 4.08Å; V220-A306 HydrophobicContact CG1-CB 3.73Å; V220-M307 HydrophobicContact CG1-CB 4.48Å; V220-M307 HydrophobicContact CG1-CG 3.37Å; V220-M307 HydrophobicContact CG1-SD 4.47Å
221T98.9Very high98.8Very high31 Ų3131.8 Ų31.819%0.1917%0.174CC..Hα-helixtrans-59.8-51.9177-63.50000112.3L217 K218 A219 I223 A224 E225 A306L217-T221 PolarHBondContact O-N 3.08Å; L217-T221 PolarHBondContact O-OG1 2.84Å; K218-T221 PolarHBondContact O-N 3.06Å; A219-T221 VanDerWaalsContact C-N 3.31Å; A219-T221 PolarHBondContact O-N 3.39Å; T221-I223 VanDerWaalsContact C-N 3.3Å; T221-I223 PolarHBondContact O-N 3.37Å; T221-A224 PolarHBondContact O-N 3.35Å; T221-E225 HydrophobicContact CG2-CG 4.49Å; T221-E225 WeakPolarHBondContact CG2-OE1 3.44Å; T221-E225 WeakPolarHBondContact O-CB 3.45Å; T221-E225 VanDerWaalsContact O-CG 3.31Å; T221-E225 WeakPolarHBondContact O-CG 3.49Å; T221-E225 PolarHBondContact O-N 3.07Å; T221-A306 WeakPolarHBondContact CA-O 3.44Å; T221-A306 WeakPolarHBondContact CB-O 3.35Å; T221-A306 PolarHBondContact OG1-O 3.21Å
222M98.9Very high98.8Very high26 Ų2633.7 Ų33.713%0.12818%0.181CC..Hα-helixtrans-63.6-37.7-177.2-68.4178.370.400111.9K218 A219 N226 A242 A246 L249K218-M222 HydrophobicContact CD-CG 4.25Å; K218-M222 HydrophobicContact CD-SD 4.25Å; K218-M222 HydrophobicContact CG-SD 4.05Å; K218-M222 VanDerWaalsContact O-CG 3.3Å; K218-M222 WeakPolarHBondContact O-CG 3.5Å; K218-M222 PolarHBondContact O-N 3.01Å; A219-M222 PolarHBondContact O-N 3Å; M222-N226 VanDerWaalsContact O-CB 3.31Å; M222-N226 WeakPolarHBondContact O-CB 3.47Å; M222-N226 PolarHBondContact O-N 3.4Å; M222-N226 PolarHBondContact O-ND2 3.26Å; M222-A242 HydrophobicContact CE-CB 4.32Å; M222-A242 WeakPolarHBondContact CE-O 3.49Å; M222-A246 HydrophobicContact CB-CB 3.55Å; M222-L249 HydrophobicContact SD-CD1 3.75Å
223I98.9Very high98.8Very high0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-67.5-47.5177.9-65.5166.3000110.8A195 L196 A219 V220 T221 E225 N226 L227 M243 A246A195-I223 HydrophobicContact CB-CD1 3.7Å; L196-I223 HydrophobicContact CB-CD1 4.26Å; L196-I223 HydrophobicContact CB-CG2 4.06Å; L196-I223 HydrophobicContact CD1-CB 4.43Å; L196-I223 HydrophobicContact CD1-CG2 4.26Å; A219-I223 WeakPolarHBondContact O-CB 3.4Å; A219-I223 WeakPolarHBondContact O-CG1 3.34Å; A219-I223 PolarHBondContact O-N 3.45Å; V220-I223 PolarHBondContact O-N 2.71Å; T221-I223 VanDerWaalsContact C-N 3.3Å; T221-I223 PolarHBondContact O-N 3.37Å; I223-E225 VanDerWaalsContact C-N 3.26Å; I223-E225 PolarHBondContact O-N 3.38Å; I223-N226 PolarHBondContact O-N 2.77Å; I223-L227 HydrophobicContact CG2-CB 3.99Å; I223-L227 HydrophobicContact CG2-CD2 4.04Å; I223-L227 WeakPolarHBondContact O-CB 3.38Å; I223-L227 PolarHBondContact O-N 3.36Å; I223-M243 HydrophobicContact CB-CE 4.5Å; I223-M243 HydrophobicContact CB-SD 4.43Å; I223-M243 HydrophobicContact CG1-CE 3.95Å; I223-M243 HydrophobicContact CG1-SD 4.23Å; I223-M243 HydrophobicContact CG2-CE 4.25Å; I223-M243 HydrophobicContact CG2-SD 4.49Å; I223-A246 HydrophobicContact CD1-CB 4.4Å; I223-A246 HydrophobicContact CG1-CB 3.69Å
224A98.8Very high98.7Very high22 Ų2236.5 Ų36.518%0.18220%0.201CC..Hα-helixtrans-60.1-37.5179.400000112.3V220 T221 M307V220-A224 WeakPolarHBondContact O-CB 3.06Å; V220-A224 PolarHBondContact O-N 2.84Å; T221-A224 PolarHBondContact O-N 3.35Å; A224-M307 HydrophobicContact CB-CB 4.05Å; A224-M307 HydrophobicContact CB-CG 4.16Å
225E98.8Very high98.6Very high114 Ų11437.4 Ų37.453%0.53320%0.203SC..Hα-helixtrans-74.1-37.3178.7-71.7172.6173.700113.4T221 I223T221-E225 HydrophobicContact CG2-CG 4.49Å; T221-E225 WeakPolarHBondContact CG2-OE1 3.44Å; T221-E225 WeakPolarHBondContact O-CB 3.45Å; T221-E225 VanDerWaalsContact O-CG 3.31Å; T221-E225 WeakPolarHBondContact O-CG 3.49Å; T221-E225 PolarHBondContact O-N 3.07Å; I223-E225 VanDerWaalsContact C-N 3.26Å; I223-E225 PolarHBondContact O-N 3.38Å
226N98.9Very high98.6Very high19 Ų1939.1 Ų39.110%0.10221%0.212CC..Hα-helixtrans-114.5-23.4-164-63.6-85.2000114.9M222 I223 L229 A230 A242 M243M222-N226 VanDerWaalsContact O-CB 3.31Å; M222-N226 WeakPolarHBondContact O-CB 3.47Å; M222-N226 PolarHBondContact O-N 3.4Å; M222-N226 PolarHBondContact O-ND2 3.26Å; I223-N226 PolarHBondContact O-N 2.77Å; N226-L229 WeakPolarHBondContact O-CB 3.49Å; N226-L229 PolarHBondContact O-N 3.35Å; N226-L229 VanDerWaalsContact O-N 3.16Å; N226-A230 PolarHBondContact O-N 2.98Å; N226-A242 HydrophobicContact CB-CB 3.83Å; N226-A242 WeakPolarHBondContact OD1-CB 3.4Å; N226-M243 HydrophobicContact CB-CG 4.24Å; N226-M243 HydrophobicContact CB-SD 4.23Å
227L98.9Very high98.6Very high0 Ų042 Ų420%024%0.235CC..Hα-helixtrans-59.9-46.8-177.7179.160.5000112.6T188 M193 I223 L229 A230 V231 M243 V334T188-L227 HydrophobicContact CG2-CD1 4.43Å; T188-L227 WeakPolarHBondContact O-CD1 3.37Å; M193-L227 HydrophobicContact CG-CD2 4Å; M193-L227 HydrophobicContact SD-CD2 3.91Å; I223-L227 HydrophobicContact CG2-CB 3.99Å; I223-L227 HydrophobicContact CG2-CD2 4.04Å; I223-L227 WeakPolarHBondContact O-CB 3.38Å; I223-L227 PolarHBondContact O-N 3.36Å; L227-L229 VanDerWaalsContact C-N 3.25Å; L227-L229 PolarHBondContact O-N 3.33Å; L227-A230 PolarHBondContact O-N 3.24Å; L227-V231 HydrophobicContact CD1-CG2 3.88Å; L227-V231 HydrophobicContact CG-CG2 4.38Å; L227-V231 WeakPolarHBondContact O-CG2 3.29Å; L227-V231 PolarHBondContact O-N 2.9Å; L227-M243 HydrophobicContact CB-CE 4.21Å; L227-M243 HydrophobicContact CB-SD 3.84Å; L227-M243 HydrophobicContact CD1-CE 3.94Å; L227-M243 HydrophobicContact CD1-SD 4.4Å; L227-V334 HydrophobicContact CD2-CG1 4.39Å; L227-V334 HydrophobicContact CD2-CG2 4.41Å; L227-V334 HydrophobicContact CG-CG1 4.12Å
228P98.8Very high98.5Very high12 Ų1247.8 Ų47.88%0.07826%0.258CS..Hα-helixtrans-59.6-37.4177.1-2435.2000113V231 E232 L330 K333 V334P228-V231 PolarHBondContact O-N 3.44Å; P228-E232 VanDerWaalsContact O-CB 3.29Å; P228-E232 WeakPolarHBondContact O-CB 3.46Å; P228-E232 PolarHBondContact O-N 3.5Å; P228-L330 HydrophobicContact CG-CD1 3.58Å; P228-K333 HydrophobicContact CB-CD 3.85Å; P228-K333 HydrophobicContact CB-CG 4.38Å; P228-K333 HydrophobicContact CG-CD 3.95Å; P228-V334 HydrophobicContact CB-CG1 4.47Å; P228-V334 HydrophobicContact CG-CG1 4.37Å
229L98.7Very high98.5Very high75 Ų7542.9 Ų42.939%0.39324%0.237SC..Hα-helixtrans-67.5-43.5179.7-56.9177.2000111.3N226 L227 V231 E232 D233 A239N226-L229 WeakPolarHBondContact O-CB 3.49Å; N226-L229 PolarHBondContact O-N 3.35Å; N226-L229 VanDerWaalsContact O-N 3.16Å; L227-L229 VanDerWaalsContact C-N 3.25Å; L227-L229 PolarHBondContact O-N 3.33Å; L229-V231 VanDerWaalsContact C-N 3.32Å; L229-V231 PolarHBondContact O-N 3.21Å; L229-E232 PolarHBondContact O-N 2.87Å; L229-D233 PolarHBondContact O-N 2.84Å; L229-A239 HydrophobicContact CB-CB 3.84Å
230A98.6Very high98.5Very high1 Ų143 Ų431%0.00824%0.238CC..Hα-helixtrans-68-30.4178.400000112.8T188 N226 L227 D233 G234 A239 M243T188-A230 HydrophobicContact CG2-CB 4.01Å; N226-A230 PolarHBondContact O-N 2.98Å; L227-A230 PolarHBondContact O-N 3.24Å; A230-D233 CarbonylContact O-C 3.45Å; A230-G234 WeakPolarHBondContact O-CA 3.47Å; A230-G234 PolarHBondContact O-N 3.16Å; A230-A239 HydrophobicContact CB-CB 3.96Å; A230-M243 HydrophobicContact CB-CG 4.18Å
231V98.6Very high98.5Very high14 Ų1446.4 Ų46.49%0.08525%0.254CS..Hα-helixtrans-78.1-40.1175.8173.40000111.3K185 T188 A189 L227 P228 L229 V334K185-V231 HydrophobicContact CB-CG1 4.36Å; K185-V231 WeakPolarHBondContact CD-O 3.29Å; K185-V231 WeakPolarHBondContact CE-O 3.36Å; K185-V231 VanDerWaalsContact CG-O 3.26Å; K185-V231 WeakPolarHBondContact CG-O 3.42Å; T188-V231 HydrophobicContact CG2-CG2 3.81Å; A189-V231 HydrophobicContact CB-CG1 4.42Å; A189-V231 HydrophobicContact CB-CG2 3.9Å; L227-V231 HydrophobicContact CD1-CG2 3.88Å; L227-V231 HydrophobicContact CG-CG2 4.38Å; L227-V231 WeakPolarHBondContact O-CG2 3.29Å; L227-V231 PolarHBondContact O-N 2.9Å; P228-V231 PolarHBondContact O-N 3.44Å; L229-V231 VanDerWaalsContact C-N 3.32Å; L229-V231 PolarHBondContact O-N 3.21Å; V231-V334 HydrophobicContact CB-CB 4.5Å; V231-V334 HydrophobicContact CB-CG1 4.45Å; V231-V334 HydrophobicContact CG1-CB 4.31Å; V231-V334 HydrophobicContact CG2-CB 4.16Å; V231-V334 HydrophobicContact CG2-CG1 4.24Å
232E98.2Very high98.5Very high137 Ų13745.6 Ų45.664%0.6425%0.25SS*.Hα-helixtrans-65.2-47.9177.9-176.4173.5-16900111.5K185 P228 L229K185-E232 VanDerWaalsContact CE-O 3.22Å; K185-E232 WeakPolarHBondContact CE-O 3.47Å; K185-E232 PolarHBondContact NZ-O 3.43Å; P228-E232 VanDerWaalsContact O-CB 3.29Å; P228-E232 WeakPolarHBondContact O-CB 3.46Å; P228-E232 PolarHBondContact O-N 3.5Å; L229-E232 PolarHBondContact O-N 2.87Å
233D98.1Very high98.5Very high71 Ų7144.5 Ų44.538%0.3825%0.245SC..  trans-130.397.8178.4178.313.3000111.1L229 A230 S235 N236L229-D233 PolarHBondContact O-N 2.84Å; A230-D233 CarbonylContact O-C 3.45Å; D233-S235 PolarHBondContact O-N 3.28Å; D233-S235 VanDerWaalsContact O-N 3.15Å; D233-S235 WeakPolarHBondContact OD1-CA 3.28Å; D233-S235 WeakPolarHBondContact OD1-CB 3.49Å; D233-S235 PolarHBondContact OD1-N 3.24Å; D233-S235 PolarHBondContact OD1-OG 2.89Å; D233-S235 PolarHBondContact OD2-OG 3.44Å; D233-N236 HydrophobicContact CB-CB 4.22Å; D233-N236 VanDerWaalsContact O-CB 3.23Å; D233-N236 WeakPolarHBondContact O-CB 3.29Å; D233-N236 PolarHBondContact O-N 2.9Å
234G97.3Very high98.5Very high19 Ų1944.5 Ų44.520%0.19625%0.245CC..THydrogen-bonded Turntrans-64.6-15.2177.900000114.4A230 R240A230-G234 WeakPolarHBondContact O-CA 3.47Å; A230-G234 PolarHBondContact O-N 3.16Å; G234-R240 VanDerWaalsContact CA-NH2 3.33Å; G234-R240 PolarHBondContact O-NE 3.38Å; G234-R240 PolarHBondContact O-NH2 2.96Å
235S97.4Very high98.5Very high82 Ų8247.7 Ų47.757%0.57325%0.253SS*.THydrogen-bonded Turntrans-88-5.6175.775.30000113.4D233 A237D233-S235 PolarHBondContact O-N 3.28Å; D233-S235 VanDerWaalsContact O-N 3.15Å; D233-S235 WeakPolarHBondContact OD1-CA 3.28Å; D233-S235 WeakPolarHBondContact OD1-CB 3.49Å; D233-S235 PolarHBondContact OD1-N 3.24Å; D233-S235 PolarHBondContact OD1-OG 2.89Å; D233-S235 PolarHBondContact OD2-OG 3.44Å; S235-A237 PolarHBondContact O-N 3.06Å
236N98.3Very high98.5Very high50 Ų5042.3 Ų42.327%0.26723%0.228SC..  trans-68.990.9176.4-173.5-25.5000110.8D233 K238 A239 R240D233-N236 HydrophobicContact CB-CB 4.22Å; D233-N236 VanDerWaalsContact O-CB 3.23Å; D233-N236 WeakPolarHBondContact O-CB 3.29Å; D233-N236 PolarHBondContact O-N 2.9Å; N236-K238 PolarHBondContact O-N 3.41Å; N236-K238 PolarHBondContact OD1-N 3.41Å; N236-A239 HydrophobicContact CB-CB 4.07Å; N236-A239 PolarHBondContact O-N 3.03Å; N236-A239 VanDerWaalsContact O-N 3.1Å; N236-A239 PolarHBondContact OD1-N 3.12Å; N236-A239 VanDerWaalsContact OD1-N 3.1Å; N236-R240 WeakPolarHBondContact O-CG 3.31Å; N236-R240 PolarHBondContact O-N 3.23Å
237A98.1Very high98.5Very high60 Ų6041.4 Ų41.450%0.49622%0.223SC..Hα-helixtrans-56-37.4-176.700000113I181 S235 R240 E241I181-A237 HydrophobicContact CD1-CB 4.49Å; S235-A237 PolarHBondContact O-N 3.06Å; A237-R240 PolarHBondContact O-N 3.17Å; A237-E241 WeakPolarHBondContact O-CB 3.22Å; A237-E241 PolarHBondContact O-N 3.18Å
238K98.5Very high98.5Very high167 Ų16741.9 Ų41.973%0.72623%0.225SC*.Hα-helixtrans-65.6-43.7178.3-174.8178178.7-178.50111.7N236 A242N236-K238 PolarHBondContact O-N 3.41Å; N236-K238 PolarHBondContact OD1-N 3.41Å; K238-A242 WeakPolarHBondContact O-CB 3.28Å; K238-A242 PolarHBondContact O-N 2.96Å
239A98.6Very high98.5Very high1 Ų143 Ų431%0.00823%0.23CC..Hα-helixtrans-67.9-38.2177.300000111.5L229 A230 N236 A242 M243L229-A239 HydrophobicContact CB-CB 3.84Å; A230-A239 HydrophobicContact CB-CB 3.96Å; N236-A239 HydrophobicContact CB-CB 4.07Å; N236-A239 PolarHBondContact O-N 3.03Å; N236-A239 VanDerWaalsContact O-N 3.1Å; N236-A239 PolarHBondContact OD1-N 3.12Å; N236-A239 VanDerWaalsContact OD1-N 3.1Å; A239-A242 PolarHBondContact O-N 3.1Å; A239-M243 WeakPolarHBondContact O-CB 3.47Å; A239-M243 VanDerWaalsContact O-CG 3.31Å; A239-M243 WeakPolarHBondContact O-CG 3.47Å; A239-M243 PolarHBondContact O-N 3.1Å
240R98.5Very high98.5Very high3 Ų339.4 Ų39.41%0.01121%0.211CC..Hα-helixtrans-61.8-48.4174-70.8-65.5-167.5-174.84.7112.3M180 I181 M183 T188 G234 N236 A237 M243 A244M180-R240 PolarHBondContact O-NE 3Å; M180-R240 PolarHBondContact O-NH1 3.35Å; M180-R240 PolarHBondContact O-NH2 3.25Å; I181-R240 HydrophobicContact CD1-CB 4.34Å; I181-R240 HydrophobicContact CD1-CG 3.8Å; I181-R240 PolarHBondContact O-NH2 3.26Å; M183-R240 PolarHBondContact O-NH2 3Å; T188-R240 VanDerWaalsContact CG2-NH1 3.25Å; T188-R240 PolarHBondContact OG1-NH1 3.19Å; G234-R240 VanDerWaalsContact CA-NH2 3.33Å; G234-R240 PolarHBondContact O-NE 3.38Å; G234-R240 PolarHBondContact O-NH2 2.96Å; N236-R240 WeakPolarHBondContact O-CG 3.31Å; N236-R240 PolarHBondContact O-N 3.23Å; A237-R240 PolarHBondContact O-N 3.17Å; R240-M243 PolarHBondContact O-N 3Å; R240-A244 PolarHBondContact O-N 3.49Å
241E98.7Very high98.5Very high71 Ų7139.4 Ų39.433%0.33221%0.211SC..Hα-helixtrans-61.5-45.8177.6-176.916386.900111.2A16 A237 M243 A244 Y245A16-E241 PolarHBondContact N-OE2 2.97Å; A237-E241 WeakPolarHBondContact O-CB 3.22Å; A237-E241 PolarHBondContact O-N 3.18Å; E241-M243 VanDerWaalsContact C-N 3.32Å; E241-M243 PolarHBondContact O-N 3.32Å; E241-A244 WeakPolarHBondContact O-CB 3.32Å; E241-A244 PolarHBondContact O-N 3.37Å; E241-A244 VanDerWaalsContact O-N 3.15Å; E241-Y245 HydrophobicContact CG-CD2 3.92Å; E241-Y245 HydrophobicContact CG-CE2 3.78Å; E241-Y245 WeakPolarHBondContact O-CD2 3.31Å; E241-Y245 PolarHBondContact O-N 3.43Å
242A98.8Very high98.5Very high14 Ų1440.5 Ų40.512%0.11622%0.216CC..Hα-helixtrans-58.2-43.6175.200000112.1M222 N226 K238 A239 A244 Y245 A246M222-A242 HydrophobicContact CE-CB 4.32Å; M222-A242 WeakPolarHBondContact CE-O 3.49Å; N226-A242 HydrophobicContact CB-CB 3.83Å; N226-A242 WeakPolarHBondContact OD1-CB 3.4Å; K238-A242 WeakPolarHBondContact O-CB 3.28Å; K238-A242 PolarHBondContact O-N 2.96Å; A239-A242 PolarHBondContact O-N 3.1Å; A242-A244 PolarHBondContact O-N 3.42Å; A242-Y245 PolarHBondContact O-N 3.33Å; A242-A246 VanDerWaalsContact O-CB 3.29Å; A242-A246 WeakPolarHBondContact O-CB 3.3Å; A242-A246 PolarHBondContact O-N 3.43Å
243M98.9Very high98.6Very high2 Ų234 Ų341%0.0119%0.185CC..Hα-helixtrans-67.3-33.6177-72.7-58.2-54.400113.1A140 I223 N226 L227 A230 A239 R240 E241 A246 Q247A140-M243 HydrophobicContact CB-CB 3.85Å; I223-M243 HydrophobicContact CB-CE 4.5Å; I223-M243 HydrophobicContact CB-SD 4.43Å; I223-M243 HydrophobicContact CG1-CE 3.95Å; I223-M243 HydrophobicContact CG1-SD 4.23Å; I223-M243 HydrophobicContact CG2-CE 4.25Å; I223-M243 HydrophobicContact CG2-SD 4.49Å; N226-M243 HydrophobicContact CB-CG 4.24Å; N226-M243 HydrophobicContact CB-SD 4.23Å; L227-M243 HydrophobicContact CB-CE 4.21Å; L227-M243 HydrophobicContact CB-SD 3.84Å; L227-M243 HydrophobicContact CD1-CE 3.94Å; L227-M243 HydrophobicContact CD1-SD 4.4Å; A230-M243 HydrophobicContact CB-CG 4.18Å; A239-M243 WeakPolarHBondContact O-CB 3.47Å; A239-M243 VanDerWaalsContact O-CG 3.31Å; A239-M243 WeakPolarHBondContact O-CG 3.47Å; A239-M243 PolarHBondContact O-N 3.1Å; R240-M243 PolarHBondContact O-N 3Å; E241-M243 VanDerWaalsContact C-N 3.32Å; E241-M243 PolarHBondContact O-N 3.32Å; M243-A246 PolarHBondContact O-N 3.05Å; M243-Q247 WeakPolarHBondContact O-CB 3.16Å; M243-Q247 WeakPolarHBondContact O-CG 3.36Å; M243-Q247 PolarHBondContact O-N 2.88Å
244A98.8Very high98.6Very high1 Ų131 Ų311%0.00817%0.169CC..Hα-helixtrans-65.2-40174.300000112.2M180 R240 E241 A242 Q247 F248M180-A244 HydrophobicContact CE-CB 3.97Å; M180-A244 HydrophobicContact SD-CB 3.81Å; R240-A244 PolarHBondContact O-N 3.49Å; E241-A244 WeakPolarHBondContact O-CB 3.32Å; E241-A244 PolarHBondContact O-N 3.37Å; E241-A244 VanDerWaalsContact O-N 3.15Å; A242-A244 PolarHBondContact O-N 3.42Å; A244-Q247 WeakPolarHBondContact O-CG 3.46Å; A244-F248 PolarHBondContact O-N 2.92Å
245Y98.9Very high98.7Very high89 Ų8930.4 Ų30.435%0.34916%0.161SC..Hα-helixtrans-69.2-41.5171.3-82.7-78000112.2I14 E241 A242 F248 L249I14-Y245 HydrophobicContact CB-CE1 4.03Å; I14-Y245 HydrophobicContact CD1-CE1 4.5Å; I14-Y245 HydrophobicContact CG2-CD1 3.87Å; I14-Y245 HydrophobicContact CG2-CD2 4.25Å; I14-Y245 HydrophobicContact CG2-CE1 3.54Å; I14-Y245 HydrophobicContact CG2-CE2 3.94Å; I14-Y245 HydrophobicContact CG2-CG 4.21Å; I14-Y245 PolarHBondContact O-OH 3.27Å; E241-Y245 HydrophobicContact CG-CD2 3.92Å; E241-Y245 HydrophobicContact CG-CE2 3.78Å; E241-Y245 WeakPolarHBondContact O-CD2 3.31Å; E241-Y245 PolarHBondContact O-N 3.43Å; A242-Y245 PolarHBondContact O-N 3.33Å; Y245-F248 PolarHBondContact O-N 3.23Å; Y245-L249 WeakPolarHBondContact O-CG 3.4Å; Y245-L249 PolarHBondContact O-N 3.13Å
246A98.9Very high98.7Very high0 Ų027.7 Ų27.70%014%0.14CC..Hα-helixtrans-66.5-42.6-17500000112.6A219 M222 I223 A242 M243 F248 L249 A250A219-A246 WeakPolarHBondContact CB-O 3.46Å; M222-A246 HydrophobicContact CB-CB 3.55Å; I223-A246 HydrophobicContact CD1-CB 4.4Å; I223-A246 HydrophobicContact CG1-CB 3.69Å; A242-A246 VanDerWaalsContact O-CB 3.29Å; A242-A246 WeakPolarHBondContact O-CB 3.3Å; A242-A246 PolarHBondContact O-N 3.43Å; M243-A246 PolarHBondContact O-N 3.05Å; A246-F248 VanDerWaalsContact C-N 3.29Å; A246-F248 PolarHBondContact O-N 2.94Å; A246-L249 PolarHBondContact O-N 3.43Å; A246-A250 PolarHBondContact O-N 3.19Å
247Q98.9Very high98.7Very high0 Ų025.3 Ų25.30%013%0.128CC..Hα-helixtrans-64.1-36.6176.378.386.731.800111.4N137 A143 E145 N175 A195 M243 A244 A250 G251N137-Q247 PolarHBondContact ND2-NE2 2.94Å; A143-Q247 VanDerWaalsContact CA-OE1 3.22Å; E145-Q247 PolarHBondContact OE1-NE2 3.48Å; N175-Q247 PolarHBondContact OD1-NE2 2.61Å; A195-Q247 HydrophobicContact CB-CB 3.94Å; M243-Q247 WeakPolarHBondContact O-CB 3.16Å; M243-Q247 WeakPolarHBondContact O-CG 3.36Å; M243-Q247 PolarHBondContact O-N 2.88Å; A244-Q247 WeakPolarHBondContact O-CG 3.46Å; Q247-A250 WeakPolarHBondContact O-CB 3.47Å; Q247-A250 PolarHBondContact O-N 3.13Å; Q247-G251 PolarHBondContact O-N 3.37Å
248F98.9Very high98.7Very high11 Ų1123.8 Ų23.85%0.04811%0.113CC..Hα-helixtrans-69.8-41.7178.8-172.1-90.7000111.2I8 N12 I14 M146 N175 A244 Y245 A246 A250 G251 M252I8-F248 HydrophobicContact CD1-CE1 4.3Å; I8-F248 HydrophobicContact CD1-CZ 4.25Å; N12-F248 HydrophobicContact CB-CE2 4.29Å; N12-F248 HydrophobicContact CB-CZ 3.77Å; N12-F248 VanDerWaalsContact OD1-CZ 3.28Å; N12-F248 WeakPolarHBondContact OD1-CZ 3.49Å; I14-F248 HydrophobicContact CD1-CB 4.37Å; I14-F248 HydrophobicContact CD1-CD1 3.66Å; I14-F248 HydrophobicContact CD1-CD2 4.07Å; I14-F248 HydrophobicContact CD1-CE1 3.92Å; I14-F248 HydrophobicContact CD1-CE2 4.28Å; I14-F248 HydrophobicContact CD1-CG 3.76Å; I14-F248 HydrophobicContact CD1-CZ 4.23Å; M146-F248 HydrophobicContact CB-CD2 4.42Å; M146-F248 HydrophobicContact CB-CE2 3.68Å; M146-F248 HydrophobicContact CB-CZ 4.23Å; M146-F248 HydrophobicContact CG-CD2 4.01Å; M146-F248 HydrophobicContact CG-CE2 3.69Å; M146-F248 HydrophobicContact CG-CZ 4.28Å; N175-F248 WeakPolarHBondContact ND2-CD2 3.32Å; A244-F248 PolarHBondContact O-N 2.92Å; Y245-F248 PolarHBondContact O-N 3.23Å; A246-F248 VanDerWaalsContact C-N 3.29Å; A246-F248 PolarHBondContact O-N 2.94Å; F248-A250 VanDerWaalsContact C-N 3.34Å; F248-G251 CarbonylContact O-C 3.52Å; F248-G251 VanDerWaalsContact O-CA 3.3Å; F248-G251 WeakPolarHBondContact O-CA 3.43Å; F248-G251 PolarHBondContact O-N 2.87Å; F248-G251 VanDerWaalsContact O-N 3.11Å; F248-M252 HydrophobicContact CD1-CG 4.03Å; F248-M252 HydrophobicContact CD1-SD 3.76Å; F248-M252 HydrophobicContact CE1-CG 3.77Å; F248-M252 HydrophobicContact CE1-SD 3.57Å; F248-M252 VanDerWaalsContact CE1-SD 3.57Å; F248-M252 WeakPolarHBondContact O-CG 3.21Å; F248-M252 PolarHBondContact O-N 3.09Å
249L98.9Very high98.6Very high35 Ų3516.3 Ų16.318%0.1838%0.081CC..Hα-helixtrans-61.5-41.3172.3-76.3166.5000112.1C215 K218 A219 M222 Y245 A246 G251 M252 A253C215-L249 HydrophobicContact CB-CD2 4.41Å; C215-L249 WeakPolarHBondContact CB-O 3.39Å; K218-L249 HydrophobicContact CB-CD1 4.24Å; K218-L249 HydrophobicContact CG-CD1 3.76Å; A219-L249 HydrophobicContact CB-CB 3.93Å; M222-L249 HydrophobicContact SD-CD1 3.75Å; Y245-L249 WeakPolarHBondContact O-CG 3.4Å; Y245-L249 PolarHBondContact O-N 3.13Å; A246-L249 PolarHBondContact O-N 3.43Å; L249-G251 VanDerWaalsContact C-N 3.28Å; L249-G251 PolarHBondContact O-N 3.02Å; L249-M252 HydrophobicContact CD2-SD 4.15Å; L249-M252 PolarHBondContact O-N 2.82Å; L249-A253 PolarHBondContact O-N 3.31Å; L249-A253 VanDerWaalsContact O-N 3.11Å
250A98.9Very high98.6Very high0 Ų016.3 Ų16.30%08%0.082CC..Hα-helixtrans-60.2-43.4172.100000110.3A195 H198 A199 A219 A246 Q247 F248 A253 F254A195-A250 HydrophobicContact CB-CB 4.48Å; A195-A250 WeakPolarHBondContact O-CB 3.28Å; H198-A250 HydrophobicContact CB-CB 3.97Å; A199-A250 HydrophobicContact CB-CB 4.03Å; A219-A250 HydrophobicContact CB-CB 3.92Å; A246-A250 PolarHBondContact O-N 3.19Å; Q247-A250 WeakPolarHBondContact O-CB 3.47Å; Q247-A250 PolarHBondContact O-N 3.13Å; F248-A250 VanDerWaalsContact C-N 3.34Å; A250-A253 WeakPolarHBondContact O-CB 3.16Å; A250-A253 PolarHBondContact O-N 2.88Å; A250-A253 VanDerWaalsContact O-N 3.13Å; A250-F254 VanDerWaalsContact O-CD1 3.3Å; A250-F254 WeakPolarHBondContact O-CD1 3.37Å; A250-F254 PolarHBondContact O-N 3.38Å
251G98.8Very high98.6Very high0 Ų016.2 Ų16.20%08%0.081CC..Hα-helixtrans-50.3-55.6170.300000114M146 Q247 F248 L249 A253 F254 N255M146-G251 VanDerWaalsContact SD-C 3.51Å; Q247-G251 PolarHBondContact O-N 3.37Å; F248-G251 CarbonylContact O-C 3.52Å; F248-G251 VanDerWaalsContact O-CA 3.3Å; F248-G251 WeakPolarHBondContact O-CA 3.43Å; F248-G251 PolarHBondContact O-N 2.87Å; F248-G251 VanDerWaalsContact O-N 3.11Å; L249-G251 VanDerWaalsContact C-N 3.28Å; L249-G251 PolarHBondContact O-N 3.02Å; G251-A253 PolarHBondContact O-N 3.14Å; G251-F254 PolarHBondContact O-N 2.94Å; G251-N255 WeakPolarHBondContact O-CB 3.3Å; G251-N255 PolarHBondContact O-N 3.16Å
252M98.9Very high98.6Very high37 Ų3712.9 Ų12.918%0.1827%0.065CC..Hα-helixtrans-54-36.7176.3-70.717568.400112.5F6 I8 M146 C215 F248 L249 N256F6-M252 HydrophobicContact CE1-CE 4.43Å; F6-M252 WeakPolarHBondContact CE2-O 3.21Å; F6-M252 HydrophobicContact CZ-CB 4.09Å; F6-M252 HydrophobicContact CZ-CE 4.02Å; I8-M252 HydrophobicContact CD1-CE 4.13Å; I8-M252 HydrophobicContact CD1-CG 3.98Å; I8-M252 HydrophobicContact CD1-SD 4.29Å; M146-M252 HydrophobicContact CE-CG 4.19Å; C215-M252 HydrophobicContact CB-CB 4.2Å; F248-M252 HydrophobicContact CD1-CG 4.03Å; F248-M252 HydrophobicContact CD1-SD 3.76Å; F248-M252 HydrophobicContact CE1-CG 3.77Å; F248-M252 HydrophobicContact CE1-SD 3.57Å; F248-M252 VanDerWaalsContact CE1-SD 3.57Å; F248-M252 WeakPolarHBondContact O-CG 3.21Å; F248-M252 PolarHBondContact O-N 3.09Å; L249-M252 HydrophobicContact CD2-SD 4.15Å; L249-M252 PolarHBondContact O-N 2.82Å; M252-N256 PolarHBondContact O-ND2 3.08Å
253A98.9Very high98.6Very high0 Ų012.3 Ų12.30%06%0.06CC..Hα-helixtrans-72.1-60.9176.500000111.7A202 T212 C215 A216 L249 A250 G251 N255 N256 A257A202-A253 HydrophobicContact CB-CB 3.68Å; T212-A253 WeakPolarHBondContact CG2-O 3.41Å; T212-A253 WeakPolarHBondContact O-CB 3.08Å; C215-A253 HydrophobicContact CB-CB 4.05Å; A216-A253 HydrophobicContact CB-CB 3.82Å; L249-A253 PolarHBondContact O-N 3.31Å; L249-A253 VanDerWaalsContact O-N 3.11Å; A250-A253 WeakPolarHBondContact O-CB 3.16Å; A250-A253 PolarHBondContact O-N 2.88Å; A250-A253 VanDerWaalsContact O-N 3.13Å; G251-A253 PolarHBondContact O-N 3.14Å; A253-N255 VanDerWaalsContact C-N 3.33Å; A253-N255 PolarHBondContact O-N 2.98Å; A253-N256 PolarHBondContact O-N 2.9Å; A253-N256 VanDerWaalsContact O-N 3.12Å; A253-A257 WeakPolarHBondContact O-CB 3.42Å; A253-A257 PolarHBondContact O-N 2.69Å
254F98.7Very high98.4Very high10 Ų1012.2 Ų12.24%0.0446%0.06CC..Hα-helixtrans-72.4-26.1-170.991.1-99.4000113.5A143 T147 F149 H198 A202 A250 G251 N256 S258 L259A143-F254 HydrophobicContact CB-CE1 3.99Å; T147-F254 HydrophobicContact CG2-CE1 4.12Å; T147-F254 HydrophobicContact CG2-CE2 3.91Å; T147-F254 HydrophobicContact CG2-CZ 3.42Å; T147-F254 VanDerWaalsContact CG2-CZ 3.42Å; F149-F254 HydrophobicContact CD2-CD2 4.41Å; F149-F254 AromaticContact CD2-CE2 3.75Å; F149-F254 HydrophobicContact CD2-CE2 3.75Å; F149-F254 AromaticContact CE2-CD2 3.86Å; F149-F254 HydrophobicContact CE2-CD2 3.86Å; F149-F254 AromaticContact CE2-CE2 3.66Å; F149-F254 HydrophobicContact CE2-CE2 3.66Å; H198-F254 HydrophobicContact CB-CB 4.33Å; H198-F254 HydrophobicContact CB-CD1 3.68Å; H198-F254 HydrophobicContact CB-CE1 4.28Å; H198-F254 HydrophobicContact CB-CG 4.22Å; H198-F254 AromaticContact CD2-CD1 3.99Å; H198-F254 AromaticContact CE1-CE1 3.8Å; H198-F254 AromaticContact CG-CD1 3.64Å; H198-F254 AromaticContact CG-CE1 3.77Å; H198-F254 AromaticContact ND1-CD1 3.95Å; H198-F254 AromaticContact ND1-CE1 3.63Å; A202-F254 HydrophobicContact CB-CB 3.89Å; A250-F254 VanDerWaalsContact O-CD1 3.3Å; A250-F254 WeakPolarHBondContact O-CD1 3.37Å; A250-F254 PolarHBondContact O-N 3.38Å; G251-F254 PolarHBondContact O-N 2.94Å; F254-N256 PolarHBondContact O-N 3.14Å; F254-N256 VanDerWaalsContact O-N 3.08Å; F254-S258 WeakPolarHBondContact O-CA 3.34Å; F254-S258 PolarHBondContact O-N 3.3Å; F254-L259 HydrophobicContact CB-CD2 3.52Å; F254-L259 HydrophobicContact CB-CG 4.04Å; F254-L259 HydrophobicContact CD2-CD1 3.74Å; F254-L259 HydrophobicContact CD2-CD2 4.04Å; F254-L259 HydrophobicContact CD2-CG 3.87Å; F254-L259 HydrophobicContact CE2-CD1 4.17Å; F254-L259 HydrophobicContact CG-CD1 4.44Å; F254-L259 HydrophobicContact CG-CD2 3.93Å; F254-L259 HydrophobicContact CG-CG 4.26Å
255N98.5Very high98.4Very high6 Ų612.1 Ų12.13%0.0326%0.059CC..Hα-helixtrans-58.6-24.9173.6-167.951.2000112.2F7 M146 T147 R148 G251 A253F7-N255 PolarHBondContact O-ND2 3.5Å; M146-N255 HydrophobicContact CE-CB 4.14Å; M146-N255 HydrophobicContact SD-CB 4.11Å; T147-N255 WeakPolarHBondContact CA-OD1 3.13Å; T147-N255 WeakPolarHBondContact CB-OD1 3.44Å; T147-N255 HydrophobicContact CG2-CB 4.36Å; R148-N255 WeakPolarHBondContact CG-OD1 3.47Å; R148-N255 PolarHBondContact N-OD1 3.47Å; G251-N255 WeakPolarHBondContact O-CB 3.3Å; G251-N255 PolarHBondContact O-N 3.16Å; A253-N255 VanDerWaalsContact C-N 3.33Å; A253-N255 PolarHBondContact O-N 2.98Å
256N98.4Very high98.3Very high25 Ų257.9 Ų7.913%0.1344%0.043CC..Hα-helixtrans-118.5-25.7-170.5-63.9-60.2000113.8F6 F7 T212 M252 A253 F254F6-N256 WeakPolarHBondContact CA-OD1 3.24Å; F6-N256 HydrophobicContact CD2-CB 3.92Å; F6-N256 WeakPolarHBondContact CD2-ND2 3.49Å; F6-N256 HydrophobicContact CE2-CB 4.21Å; F6-N256 VanDerWaalsContact CE2-ND2 3.29Å; F6-N256 WeakPolarHBondContact CE2-ND2 3.42Å; F7-N256 PolarHBondContact N-OD1 3.37Å; F7-N256 PolarHBondContact O-ND2 2.95Å; F7-N256 PolarHBondContact O-OD1 2.91Å; T212-N256 HydrophobicContact CG2-CB 3.72Å; M252-N256 PolarHBondContact O-ND2 3.08Å; A253-N256 PolarHBondContact O-N 2.9Å; A253-N256 VanDerWaalsContact O-N 3.12Å; F254-N256 PolarHBondContact O-N 3.14Å; F254-N256 VanDerWaalsContact O-N 3.08Å
257A98.2Very high98Very high0 Ų08.6 Ų8.60%05%0.046CC..Hα-helixtrans-99.5-3171.400000112.8A202 S205 T212 A253A202-A257 HydrophobicContact CB-CB 4.17Å; A202-A257 WeakPolarHBondContact O-CB 3.38Å; S205-A257 VanDerWaalsContact CB-O 3.26Å; S205-A257 WeakPolarHBondContact CB-O 3.5Å; S205-A257 PolarHBondContact OG-O 3.32Å; T212-A257 HydrophobicContact CG2-CB 3.98Å; A253-A257 WeakPolarHBondContact O-CB 3.42Å; A253-A257 PolarHBondContact O-N 2.69Å
258S97.2Very high97.7Very high28 Ų289.4 Ų9.420%0.1965%0.05CC..  trans56-157.1-167.8-160.40000111.8F254 T365F254-S258 WeakPolarHBondContact O-CA 3.34Å; F254-S258 PolarHBondContact O-N 3.3Å; S258-T365 WeakPolarHBondContact CB-OG1 3.47Å; S258-T365 PolarHBondContact OG-OG1 3.02Å
259L98Very high97.5Very high9 Ų98.9 Ų8.95%0.0475%0.048CC..  trans-129.5-151.9-171.1-67.1166.3000110H198 E201 F254 H263 C362 T365H198-L259 HydrophobicContact CB-CD2 4.42Å; E201-L259 HydrophobicContact CB-CB 4.35Å; E201-L259 HydrophobicContact CB-CD2 3.86Å; F254-L259 HydrophobicContact CB-CD2 3.52Å; F254-L259 HydrophobicContact CB-CG 4.04Å; F254-L259 HydrophobicContact CD2-CD1 3.74Å; F254-L259 HydrophobicContact CD2-CD2 4.04Å; F254-L259 HydrophobicContact CD2-CG 3.87Å; F254-L259 HydrophobicContact CE2-CD1 4.17Å; F254-L259 HydrophobicContact CG-CD1 4.44Å; F254-L259 HydrophobicContact CG-CD2 3.93Å; F254-L259 HydrophobicContact CG-CG 4.26Å; L259-H263 HydrophobicContact CB-CB 4.18Å; L259-H263 HydrophobicContact CD1-CB 3.98Å; L259-C362 CarbonylContact C-O 3.57Å; L259-C362 HydrophobicContact CB-CB 4.19Å; L259-T365 PolarHBondContact O-OG1 2.96Å
260G98.3Very high97Very high2 Ų27.3 Ų7.32%0.0214%0.039CC..  trans-151.6-150.6179.300000112.6E201 V262 H263 A264 C362E201-G260 VanDerWaalsContact CD-N 3.29Å; E201-G260 WeakPolarHBondContact OE1-CA 3.08Å; E201-G260 PolarHBondContact OE1-N 3.47Å; E201-G260 VanDerWaalsContact OE1-N 3.17Å; E201-G260 PolarHBondContact OE2-N 3.29Å; G260-V262 VanDerWaalsContact C-N 3.32Å; G260-V262 PolarHBondContact O-N 3.48Å; G260-H263 PolarHBondContact O-N 2.98Å; G260-A264 PolarHBondContact O-N 2.88Å; G260-A264 VanDerWaalsContact O-N 3.14Å; G260-C362 WeakPolarHBondContact CA-O 3.49Å
261Y98.7Very high96.4Very high1 Ų18 Ų80%0.0045%0.047CC..Hα-helixtrans-71.1-19-174.9-72.8-31.7000115.4E201 A264 M265 F291 G363 N366 I368 Q369 A370 I375E201-Y261 PolarHBondContact OE1-N 3.24Å; E201-Y261 VanDerWaalsContact OE1-N 3.14Å; Y261-A264 HydrophobicContact CD1-CB 4.14Å; Y261-M265 WeakPolarHBondContact O-CB 3.29Å; Y261-M265 WeakPolarHBondContact O-CG 3.41Å; Y261-M265 PolarHBondContact O-N 3.35Å; Y261-F291 HydrophobicContact CD2-CD1 4.41Å; Y261-F291 HydrophobicContact CD2-CE1 4.16Å; Y261-F291 HydrophobicContact CE2-CE1 4.06Å; Y261-G363 VanDerWaalsContact CE1-CA 3.5Å; Y261-N366 HydrophobicContact CD1-CB 4.1Å; Y261-N366 HydrophobicContact CD2-CB 3.94Å; Y261-N366 WeakPolarHBondContact CD2-ND2 3.3Å; Y261-N366 HydrophobicContact CE1-CB 4.16Å; Y261-N366 HydrophobicContact CE2-CB 4Å; Y261-N366 WeakPolarHBondContact CE2-ND2 3.43Å; Y261-N366 HydrophobicContact CG-CB 3.97Å; Y261-N366 PolarHBondContact N-OD1 3.1Å; Y261-I368 VanDerWaalsContact CE2-O 3.24Å; Y261-I368 WeakPolarHBondContact CE2-O 3.25Å; Y261-Q369 VanDerWaalsContact OH-CA 3.29Å; Y261-Q369 WeakPolarHBondContact OH-CA 3.4Å; Y261-Q369 PolarHBondContact OH-OE1 2.88Å; Y261-A370 HydrophobicContact CD2-CB 4.14Å; Y261-A370 HydrophobicContact CE2-CB 3.38Å; Y261-A370 PolarHBondContact OH-N 3.49Å; Y261-I375 HydrophobicContact CD1-CD1 4.24Å; Y261-I375 HydrophobicContact CD2-CD1 3.96Å; Y261-I375 HydrophobicContact CE1-CD1 4.45Å; Y261-I375 HydrophobicContact CE2-CD1 4.18Å; Y261-I375 HydrophobicContact CG-CD1 4.01Å
262V98.8Very high96Very high0 Ų012.2 Ų12.20%07%0.065CC..Hα-helixtrans-61.6-52.7174-169.90000109T197 E201 G260 M265 A266 N281 L284 L285 V288T197-V262 HydrophobicContact CG2-CB 3.71Å; T197-V262 HydrophobicContact CG2-CG1 3.47Å; T197-V262 VanDerWaalsContact CG2-CG1 3.47Å; T197-V262 HydrophobicContact CG2-CG2 4.16Å; E201-V262 VanDerWaalsContact CD-CB 3.44Å; E201-V262 HydrophobicContact CG-CB 4.27Å; E201-V262 HydrophobicContact CG-CG2 4.02Å; E201-V262 WeakPolarHBondContact OE1-CA 3.41Å; E201-V262 VanDerWaalsContact OE1-CB 3.28Å; E201-V262 WeakPolarHBondContact OE1-CB 3.42Å; E201-V262 VanDerWaalsContact OE1-CG2 3.31Å; E201-V262 WeakPolarHBondContact OE1-CG2 3.43Å; E201-V262 PolarHBondContact OE1-N 2.78Å; G260-V262 VanDerWaalsContact C-N 3.32Å; G260-V262 PolarHBondContact O-N 3.48Å; V262-M265 PolarHBondContact O-N 3.38Å; V262-A266 WeakPolarHBondContact O-CB 3.26Å; V262-A266 PolarHBondContact O-N 3.34Å; V262-N281 HydrophobicContact CG1-CB 4.17Å; V262-N281 WeakPolarHBondContact CG1-O 3.48Å; V262-L284 HydrophobicContact CG1-CB 3.92Å; V262-L285 HydrophobicContact CG1-CB 4.32Å; V262-L285 HydrophobicContact CG2-CB 4.49Å; V262-L285 HydrophobicContact CG2-CD1 3.97Å; V262-V288 HydrophobicContact CB-CG2 4.47Å; V262-V288 HydrophobicContact CG2-CB 3.59Å; V262-V288 HydrophobicContact CG2-CG1 3.71Å; V262-V288 HydrophobicContact CG2-CG2 3.87Å
263H97.6Very high95.6Very high2 Ų213 Ų131%0.0097%0.067CC..Hα-helixtrans-67.9-42.6178.6-81.275.6000112.8T197 H198 E201 L259 G260 M265 A266 H267 H277 N281 C362T197-H263 VanDerWaalsContact CG2-CE1 3.47Å; T197-H263 WeakPolarHBondContact CG2-CE1 3.32Å; H198-H263 AromaticContact CD2-CE1 3.29Å; H198-H263 PolarHBondContact CD2-CE1 3.29Å; H198-H263 AromaticContact CD2-NE2 3.23Å; H198-H263 PolarHBondContact CD2-NE2 2.67Å; H198-H263 AromaticContact NE2-CE1 3.71Å; H198-H263 AromaticContact NE2-NE2 3.14Å; H198-H263 PolarHBondContact NE2-NE2 3.41Å; H198-H263 VanDerWaalsContact NE2-NE2 3.14Å; E201-H263 IonicContact OE2-CE1 2.81Å; E201-H263 IonicContact OE2-CG 3.3Å; E201-H263 PolarHBondContact OE2-N 3.14Å; E201-H263 IonicContact OE2-ND1 3.7Å; E201-H263 PolarHBondContact OE2-ND1 3.17Å; L259-H263 HydrophobicContact CB-CB 4.18Å; L259-H263 HydrophobicContact CD1-CB 3.98Å; G260-H263 PolarHBondContact O-N 2.98Å; H263-M265 PolarHBondContact O-N 2.91Å; H263-A266 PolarHBondContact O-N 3.36Å; H263-A266 VanDerWaalsContact O-N 3.16Å; H263-H267 WeakPolarHBondContact O-CB 3.45Å; H263-H267 VanDerWaalsContact O-CG 3.24Å; H263-H267 PolarHBondContact O-N 2.88Å; H263-H277 AromaticContact CD2-CE1 3.46Å; H263-H277 PolarHBondContact CD2-CE1 3.47Å; H263-H277 VanDerWaalsContact CD2-CE1 3.46Å; H263-H277 AromaticContact CD2-NE2 3.53Å; H263-H277 AromaticContact NE2-CE1 3.78Å; H263-H277 AromaticContact NE2-NE2 3.38Å; H263-H277 PolarHBondContact NE2-NE2 3.03Å; H263-N281 PolarHBondContact CE1-OD1 3.42Å; H263-N281 PolarHBondContact ND1-OD1 3Å; H263-N281 PolarHBondContact NE2-ND2 3.27Å; H263-C362 HydrophobicContact CB-CB 4.14Å
264A96.2Very high95.1Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-55.1-40177.600000112.2G260 Y261 Q268 D360 C362G260-A264 PolarHBondContact O-N 2.88Å; G260-A264 VanDerWaalsContact O-N 3.14Å; Y261-A264 HydrophobicContact CD1-CB 4.14Å; A264-Q268 WeakPolarHBondContact O-CG 3.26Å; A264-Q268 PolarHBondContact O-NE2 3.1Å; A264-D360 HydrophobicContact CB-CB 3.87Å; A264-C362 HydrophobicContact CB-CB 4.27Å
265M97.8Very high94.9Very high0 Ų018.6 Ų18.60%010%0.097CC..Hα-helixtrans-78.7-40.5176.9-68.4174.471.500112.7Y261 V262 H263 H267 Q268 L269 L284 V288 A357 I375 I378 Y379Y261-M265 WeakPolarHBondContact O-CB 3.29Å; Y261-M265 WeakPolarHBondContact O-CG 3.41Å; Y261-M265 PolarHBondContact O-N 3.35Å; V262-M265 PolarHBondContact O-N 3.38Å; H263-M265 PolarHBondContact O-N 2.91Å; M265-H267 VanDerWaalsContact C-N 3.34Å; M265-H267 PolarHBondContact O-N 3.28Å; M265-Q268 PolarHBondContact O-N 3.48Å; M265-L269 PolarHBondContact O-N 3.49Å; M265-L284 HydrophobicContact CB-CD1 3.74Å; M265-L284 HydrophobicContact CE-CD2 3.96Å; M265-V288 HydrophobicContact SD-CG2 3.91Å; M265-A357 HydrophobicContact CG-CB 4.06Å; M265-I375 HydrophobicContact CE-CG2 4.08Å; M265-I375 HydrophobicContact CG-CG2 4.06Å; M265-I375 HydrophobicContact SD-CD1 4.25Å; M265-I375 HydrophobicContact SD-CG2 4.16Å; M265-I378 HydrophobicContact CE-CB 3.86Å; M265-I378 HydrophobicContact CE-CG2 3.63Å; M265-I378 HydrophobicContact SD-CB 4.28Å; M265-I378 HydrophobicContact SD-CG2 3.89Å; M265-Y379 VanDerWaalsContact CA-OH 3.24Å; M265-Y379 WeakPolarHBondContact CA-OH 3.48Å; M265-Y379 HydrophobicContact CB-CE1 4.09Å; M265-Y379 WeakPolarHBondContact CB-OH 3.32Å; M265-Y379 HydrophobicContact CE-CD1 3.56Å; M265-Y379 HydrophobicContact CE-CD2 3.6Å; M265-Y379 HydrophobicContact CE-CE1 3.58Å; M265-Y379 HydrophobicContact CE-CE2 3.63Å; M265-Y379 HydrophobicContact CE-CG 3.56Å; M265-Y379 HydrophobicContact CG-CE2 4.31Å; M265-Y379 PolarHBondContact O-OH 2.95Å
266A96.2Very high94.5Very high0 Ų022 Ų220%012%0.119CC..Hα-helixtrans-67-32.5179.900000112.6V262 H263 Q268 L269 G270 C280 N281 L284V262-A266 WeakPolarHBondContact O-CB 3.26Å; V262-A266 PolarHBondContact O-N 3.34Å; H263-A266 PolarHBondContact O-N 3.36Å; H263-A266 VanDerWaalsContact O-N 3.16Å; A266-Q268 PolarHBondContact O-N 3.44Å; A266-L269 PolarHBondContact O-N 2.74Å; A266-G270 PolarHBondContact O-N 3.48Å; A266-C280 HydrophobicContact CB-CB 3.79Å; A266-N281 WeakPolarHBondContact CB-OD1 3.49Å; A266-L284 HydrophobicContact CB-CD1 4.14Å
267H92.9Very high94.1Very high15 Ų1523.1 Ų23.17%0.06912%0.123CC..Hα-helixtrans-58.4-36.7173-73.8169.4000112.3H263 M265 G270 G271 H277 D360H263-H267 WeakPolarHBondContact O-CB 3.45Å; H263-H267 VanDerWaalsContact O-CG 3.24Å; H263-H267 PolarHBondContact O-N 2.88Å; M265-H267 VanDerWaalsContact C-N 3.34Å; M265-H267 PolarHBondContact O-N 3.28Å; H267-G270 PolarHBondContact O-N 3.08Å; H267-G271 PolarHBondContact O-N 2.91Å; H267-H277 AromaticContact CD2-CE1 3.78Å; H267-H277 AromaticContact NE2-CE1 3.78Å; H267-D360 WeakPolarHBondContact CB-OD2 3.19Å; H267-D360 IonicContact CE1-OD2 3.06Å; H267-D360 IonicContact CG-OD2 3.28Å; H267-D360 IonicContact ND1-OD1 3.49Å; H267-D360 IonicContact ND1-OD2 3.51Å; H267-D360 PolarHBondContact ND1-OD2 3.39Å
268Q93.7Very high93.9Very high17 Ų1723.7 Ų23.78%0.07913%0.13CC..Hα-helixtrans-70.8-40.2179.3-45.3-44.1-46.800111.1A264 M265 A266 G270 G271 F272 L353 N356 A357 D360A264-Q268 WeakPolarHBondContact O-CG 3.26Å; A264-Q268 PolarHBondContact O-NE2 3.1Å; M265-Q268 PolarHBondContact O-N 3.48Å; A266-Q268 PolarHBondContact O-N 3.44Å; Q268-G270 VanDerWaalsContact C-N 3.35Å; Q268-G270 PolarHBondContact O-N 2.92Å; Q268-G271 PolarHBondContact O-N 3.3Å; Q268-F272 WeakPolarHBondContact O-CB 3.13Å; Q268-F272 PolarHBondContact O-N 3.38Å; Q268-L353 HydrophobicContact CB-CB 4.27Å; Q268-L353 HydrophobicContact CB-CD2 3.61Å; Q268-N356 HydrophobicContact CG-CB 4.13Å; Q268-A357 HydrophobicContact CG-CB 3.91Å; Q268-D360 PolarHBondContact NE2-OD2 2.84Å
269L93.8Very high93.8Very high0 Ų023.3 Ų23.30%013%0.126CC..Hα-helixtrans-63-42.9174.2-60.7178.6000111.6M265 A266 Y273 L275 C280 L284 L340 V345 L353 Y379M265-L269 PolarHBondContact O-N 3.49Å; A266-L269 PolarHBondContact O-N 2.74Å; L269-Y273 HydrophobicContact CD2-CD2 4.26Å; L269-Y273 HydrophobicContact CD2-CE2 4.26Å; L269-Y273 WeakPolarHBondContact O-CB 3.22Å; L269-Y273 PolarHBondContact O-N 3.38Å; L269-L275 HydrophobicContact CB-CD1 4.3Å; L269-C280 HydrophobicContact CB-CB 4.33Å; L269-C280 HydrophobicContact CD1-CB 4.05Å; L269-L284 HydrophobicContact CD1-CD1 3.77Å; L269-L284 HydrophobicContact CD1-CG 4.43Å; L269-L340 HydrophobicContact CD1-CD2 3.55Å; L269-V345 HydrophobicContact CD2-CG1 4.02Å; L269-V345 HydrophobicContact CD2-CG2 3.96Å; L269-L353 HydrophobicContact CD2-CD1 3.87Å; L269-Y379 HydrophobicContact CD1-CE1 4.27Å; L269-Y379 HydrophobicContact CD2-CE1 4.02Å; L269-Y379 HydrophobicContact CG-CE1 4.15Å
270G88.7Confident93.7Very high1 Ų122.9 Ų22.91%0.0112%0.124CC..Hα-helixtrans-68.6-33.417700000113.8A266 H267 Q268 N274A266-G270 PolarHBondContact O-N 3.48Å; H267-G270 PolarHBondContact O-N 3.08Å; Q268-G270 VanDerWaalsContact C-N 3.35Å; Q268-G270 PolarHBondContact O-N 2.92Å; G270-N274 WeakPolarHBondContact O-CA 3.48Å; G270-N274 PolarHBondContact O-N 3.35Å
271G86.6Confident93.7Very high15 Ų1522.8 Ų22.816%0.15512%0.123CC..Hα-helixtrans-79.2-42.2176.700000113.2H267 Q268H267-G271 PolarHBondContact O-N 2.91Å; Q268-G271 PolarHBondContact O-N 3.3Å
272F89.4Confident93.6Very high88 Ų8822.8 Ų22.839%0.38612%0.123SC..Hα-helixtrans-82.4-39.1-172.5-157.5-87.3000113.1Q268 D349 V352 L353Q268-F272 WeakPolarHBondContact O-CB 3.13Å; Q268-F272 PolarHBondContact O-N 3.38Å; F272-D349 HydrophobicContact CE1-CB 4.31Å; F272-V352 HydrophobicContact CE2-CG1 4.03Å; F272-V352 HydrophobicContact CZ-CG1 4.2Å; F272-L353 HydrophobicContact CB-CD2 3.86Å; F272-L353 HydrophobicContact CD2-CD2 4.38Å; F272-L353 HydrophobicContact CG-CD2 4.07Å
273Y91.4Very high93.5Very high55 Ų5523.1 Ų23.122%0.21613%0.125CC..SBendtrans-111.91.3-177.6-62.5-75.9000113.7L269 L275 V345 K346 D349 L353L269-Y273 HydrophobicContact CD2-CD2 4.26Å; L269-Y273 HydrophobicContact CD2-CE2 4.26Å; L269-Y273 WeakPolarHBondContact O-CB 3.22Å; L269-Y273 PolarHBondContact O-N 3.38Å; Y273-L275 HydrophobicContact CD2-CD1 4.32Å; Y273-L275 HydrophobicContact CG-CD1 4.36Å; Y273-L275 PolarHBondContact O-N 2.88Å; Y273-V345 HydrophobicContact CD2-CG2 4.19Å; Y273-V345 HydrophobicContact CE2-CB 4.25Å; Y273-V345 HydrophobicContact CE2-CG1 3.81Å; Y273-V345 HydrophobicContact CE2-CG2 4.08Å; Y273-K346 PolarHBondContact OH-N 2.66Å; Y273-D349 VanDerWaalsContact OH-CB 3.3Å; Y273-D349 WeakPolarHBondContact OH-CB 3.37Å; Y273-D349 VanDerWaalsContact OH-CG 3.29Å; Y273-D349 PolarHBondContact OH-OD2 3.22Å; Y273-L353 HydrophobicContact CE2-CD1 4.2Å
274N89.1Confident93.6Very high104 Ų10423 Ų2356%0.55613%0.125SC*.  trans54.633.9-172.5-16226000113.3N71 G270N71-N274 PolarHBondContact ND2-OD1 2.9Å; G270-N274 WeakPolarHBondContact O-CA 3.48Å; G270-N274 PolarHBondContact O-N 3.35Å
275L92.7Very high93.7Very high22 Ų2223 Ų2312%0.11513%0.125CC..  trans-76.2151.9-177.5-72.7171.1000112.5L269 Y273 H277 C280 L343 V345L269-L275 HydrophobicContact CB-CD1 4.3Å; Y273-L275 HydrophobicContact CD2-CD1 4.32Å; Y273-L275 HydrophobicContact CG-CD1 4.36Å; Y273-L275 PolarHBondContact O-N 2.88Å; L275-H277 PolarHBondContact O-N 3.18Å; L275-C280 WeakPolarHBondContact CB-SG 3.38Å; L275-L343 HydrophobicContact CD1-CB 3.94Å; L275-L343 HydrophobicContact CD1-CD1 4.35Å; L275-L343 HydrophobicContact CD2-CB 4.16Å; L275-V345 HydrophobicContact CD1-CG2 3.66Å
276P90.9Very high93.8Very high78 Ų7823.4 Ų23.451%0.50613%0.127SC..  trans-62124.8176-22.333.5000112.1G278 V279 C280P276-G278 PolarHBondContact O-N 3.13Å; P276-V279 HydrophobicContact CB-CB 4.39Å; P276-V279 HydrophobicContact CB-CG2 4.12Å; P276-V279 PolarHBondContact O-N 3.11Å; P276-C280 PolarHBondContact O-N 3.49Å; P276-C280 VanDerWaalsContact O-N 3.12Å; P276-C280 PolarHBondContact O-SG 3.2Å
277H91.1Very high93.9Very high48 Ų4825.1 Ų25.122%0.22214%0.135CC..Hα-helixtrans-56.8-48-173.8179.873000113.7H263 H267 L275 V279 C280 N281H263-H277 AromaticContact CD2-CE1 3.46Å; H263-H277 PolarHBondContact CD2-CE1 3.47Å; H263-H277 VanDerWaalsContact CD2-CE1 3.46Å; H263-H277 AromaticContact CD2-NE2 3.53Å; H263-H277 AromaticContact NE2-CE1 3.78Å; H263-H277 AromaticContact NE2-NE2 3.38Å; H263-H277 PolarHBondContact NE2-NE2 3.03Å; H267-H277 AromaticContact CD2-CE1 3.78Å; H267-H277 AromaticContact NE2-CE1 3.78Å; L275-H277 PolarHBondContact O-N 3.18Å; H277-V279 VanDerWaalsContact C-N 3.31Å; H277-V279 PolarHBondContact O-N 2.83Å; H277-C280 PolarHBondContact O-N 2.57Å; H277-N281 PolarHBondContact CD2-ND2 2.85Å; H277-N281 PolarHBondContact CE1-ND2 2.88Å; H277-N281 PolarHBondContact ND1-ND2 3.12Å; H277-N281 PolarHBondContact NE2-ND2 3.5Å; H277-N281 PolarHBondContact O-N 3.35Å; H277-N281 VanDerWaalsContact O-N 3.07Å; H277-N281 PolarHBondContact O-ND2 3.11Å
278G92.3Very high94.2Very high13 Ų1324.4 Ų24.413%0.13413%0.132CC..Hα-helixtrans-61.3-38.5-178.900000113.1A190 P276 A282A190-G278 CarbonylContact O-C 3.18Å; A190-G278 WeakPolarHBondContact O-CA 3.12Å; P276-G278 PolarHBondContact O-N 3.13Å; G278-A282 VanDerWaalsContact O-CB 3.29Å; G278-A282 WeakPolarHBondContact O-CB 3.44Å; G278-A282 PolarHBondContact O-N 3.27Å
279V94.9Very high94.4Very high20 Ų2023.6 Ų23.612%0.12113%0.128CC..Hα-helixtrans-69.3-43.4178.5-178.10000111.1A190 P276 H277 N281 A282 V283 P337 L343A190-V279 HydrophobicContact CB-CG2 3.6Å; P276-V279 HydrophobicContact CB-CB 4.39Å; P276-V279 HydrophobicContact CB-CG2 4.12Å; P276-V279 PolarHBondContact O-N 3.11Å; H277-V279 VanDerWaalsContact C-N 3.31Å; H277-V279 PolarHBondContact O-N 2.83Å; V279-N281 VanDerWaalsContact C-N 3.33Å; V279-N281 PolarHBondContact O-N 2.98Å; V279-A282 PolarHBondContact O-N 3.21Å; V279-V283 HydrophobicContact CG1-CG2 4.45Å; V279-V283 WeakPolarHBondContact O-CG2 3.38Å; V279-V283 PolarHBondContact O-N 2.91Å; V279-P337 HydrophobicContact CG1-CG 3.86Å; V279-L343 HydrophobicContact CG1-CD1 4.06Å; V279-L343 HydrophobicContact CG1-CD2 3.79Å
280C96.2Very high94.6Very high0 Ų026.9 Ų26.90%015%0.148CC..Hα-helixtrans-58.2-46.6176.8-63.90000111.6A266 L269 L275 P276 H277 L284A266-C280 HydrophobicContact CB-CB 3.79Å; L269-C280 HydrophobicContact CB-CB 4.33Å; L269-C280 HydrophobicContact CD1-CB 4.05Å; L275-C280 WeakPolarHBondContact CB-SG 3.38Å; P276-C280 PolarHBondContact O-N 3.49Å; P276-C280 VanDerWaalsContact O-N 3.12Å; P276-C280 PolarHBondContact O-SG 3.2Å; H277-C280 PolarHBondContact O-N 2.57Å; C280-L284 WeakPolarHBondContact O-CB 3.46Å; C280-L284 WeakPolarHBondContact O-CG 3.44Å; C280-L284 PolarHBondContact O-N 3.37Å; C280-L284 VanDerWaalsContact O-N 3.1Å
281N98Very high95.1Very high0 Ų027.4 Ų27.40%015%0.15CC..Hα-helixtrans-62.6-46.6176.4-78.3-58.3000112T197 V262 H263 A266 H277 V279 V283 L284 L285T197-N281 HydrophobicContact CG2-CB 4.05Å; V262-N281 HydrophobicContact CG1-CB 4.17Å; V262-N281 WeakPolarHBondContact CG1-O 3.48Å; H263-N281 PolarHBondContact CE1-OD1 3.42Å; H263-N281 PolarHBondContact ND1-OD1 3Å; H263-N281 PolarHBondContact NE2-ND2 3.27Å; A266-N281 WeakPolarHBondContact CB-OD1 3.49Å; H277-N281 PolarHBondContact CD2-ND2 2.85Å; H277-N281 PolarHBondContact CE1-ND2 2.88Å; H277-N281 PolarHBondContact ND1-ND2 3.12Å; H277-N281 PolarHBondContact NE2-ND2 3.5Å; H277-N281 PolarHBondContact O-N 3.35Å; H277-N281 VanDerWaalsContact O-N 3.07Å; H277-N281 PolarHBondContact O-ND2 3.11Å; V279-N281 VanDerWaalsContact C-N 3.33Å; V279-N281 PolarHBondContact O-N 2.98Å; N281-V283 VanDerWaalsContact C-N 3.33Å; N281-V283 PolarHBondContact O-N 3.45Å; N281-L284 PolarHBondContact O-N 3.46Å; N281-L285 VanDerWaalsContact O-CB 3.3Å; N281-L285 WeakPolarHBondContact O-CB 3.33Å; N281-L285 PolarHBondContact O-N 3.01Å
282A97.3Very high95.7Very high1 Ų126.7 Ų26.71%0.00814%0.143CC..Hα-helixtrans-58.8-43.5-178.900000112.4M193 G278 V279 P286 I336M193-A282 HydrophobicContact CB-CB 3.48Å; M193-A282 VanDerWaalsContact CB-CB 3.48Å; M193-A282 HydrophobicContact CE-CB 4.42Å; M193-A282 HydrophobicContact CG-CB 4.14Å; G278-A282 VanDerWaalsContact O-CB 3.29Å; G278-A282 WeakPolarHBondContact O-CB 3.44Å; G278-A282 PolarHBondContact O-N 3.27Å; V279-A282 PolarHBondContact O-N 3.21Å; A282-P286 WeakPolarHBondContact O-CD 3.47Å; A282-I336 HydrophobicContact CB-CD1 3.92Å; A282-I336 HydrophobicContact CB-CG1 4.09Å; A282-I336 HydrophobicContact CB-CG2 3.64Å
283V97.9Very high96.1Very high6 Ų624.2 Ų24.24%0.03614%0.136CC..Hα-helixtrans-65.1-46.4176.6170.80000111V279 N281 P286 H287 I336 P337 L340 L343V279-V283 HydrophobicContact CG1-CG2 4.45Å; V279-V283 WeakPolarHBondContact O-CG2 3.38Å; V279-V283 PolarHBondContact O-N 2.91Å; N281-V283 VanDerWaalsContact C-N 3.33Å; N281-V283 PolarHBondContact O-N 3.45Å; V283-P286 WeakPolarHBondContact O-CD 3.49Å; V283-H287 PolarHBondContact O-CD2 3.42Å; V283-I336 HydrophobicContact CG2-CG2 4.04Å; V283-P337 HydrophobicContact CG2-CB 4.4Å; V283-P337 WeakPolarHBondContact CG2-O 3.36Å; V283-L340 HydrophobicContact CG1-CD2 3.88Å; V283-L340 HydrophobicContact CG1-CG 4.07Å; V283-L343 HydrophobicContact CG2-CD1 4.34Å
284L98.6Very high96.5Very high0 Ų027.6 Ų27.60%015%0.152CC..Hα-helixtrans-76.1-27.9-174.1-73.7170.6000114.1V262 M265 A266 L269 C280 N281 H287 V288 L340 Y379 A382V262-L284 HydrophobicContact CG1-CB 3.92Å; M265-L284 HydrophobicContact CB-CD1 3.74Å; M265-L284 HydrophobicContact CE-CD2 3.96Å; A266-L284 HydrophobicContact CB-CD1 4.14Å; L269-L284 HydrophobicContact CD1-CD1 3.77Å; L269-L284 HydrophobicContact CD1-CG 4.43Å; C280-L284 WeakPolarHBondContact O-CB 3.46Å; C280-L284 WeakPolarHBondContact O-CG 3.44Å; C280-L284 PolarHBondContact O-N 3.37Å; C280-L284 VanDerWaalsContact O-N 3.1Å; N281-L284 PolarHBondContact O-N 3.46Å; L284-H287 PolarHBondContact O-N 3.47Å; L284-H287 VanDerWaalsContact O-N 3.09Å; L284-V288 PolarHBondContact O-N 3.45Å; L284-L340 HydrophobicContact CD2-CD1 4.26Å; L284-Y379 HydrophobicContact CD1-CE1 4.44Å; L284-Y379 HydrophobicContact CD2-CD1 4.17Å; L284-Y379 HydrophobicContact CD2-CE1 4.28Å; L284-A382 HydrophobicContact CD2-CB 3.97Å
285L98.7Very high96.9Very high0 Ų027.1 Ų27.10%015%0.153CC..Hα-helixtrans-48.6-56.7-173.3175.662.4000113.8L196 T197 I200 V262 N281 H287 V288 Q289 I327L196-L285 HydrophobicContact CD2-CD2 4.32Å; L196-L285 HydrophobicContact CG-CD2 4.36Å; T197-L285 HydrophobicContact CG2-CD1 4.22Å; I200-L285 HydrophobicContact CB-CD1 4.46Å; I200-L285 HydrophobicContact CD1-CD2 4.28Å; I200-L285 HydrophobicContact CG2-CD1 4.3Å; V262-L285 HydrophobicContact CG1-CB 4.32Å; V262-L285 HydrophobicContact CG2-CB 4.49Å; V262-L285 HydrophobicContact CG2-CD1 3.97Å; N281-L285 VanDerWaalsContact O-CB 3.3Å; N281-L285 WeakPolarHBondContact O-CB 3.33Å; N281-L285 PolarHBondContact O-N 3.01Å; L285-H287 VanDerWaalsContact C-N 3.26Å; L285-H287 PolarHBondContact O-N 2.91Å; L285-V288 PolarHBondContact O-N 3.15Å; L285-Q289 HydrophobicContact CD1-CG 3.78Å; L285-Q289 WeakPolarHBondContact O-CG 3.49Å; L285-Q289 PolarHBondContact O-N 2.98Å; L285-I327 HydrophobicContact CB-CG2 4.44Å; L285-I327 HydrophobicContact CD2-CD1 4.22Å; L285-I327 HydrophobicContact CD2-CG1 4.39Å; L285-I327 HydrophobicContact CD2-CG2 3.62Å; L285-I327 HydrophobicContact CG-CD1 4.17Å; L285-I327 HydrophobicContact CG-CG2 3.86Å
286P98.6Very high97.2Very high8 Ų826.3 Ų26.35%0.05215%0.149CC..Hα-helixtrans-62.7-32.2-177.524.2-34000112.9A282 V283 V290 I324 I327 R328A282-P286 WeakPolarHBondContact O-CD 3.47Å; V283-P286 WeakPolarHBondContact O-CD 3.49Å; P286-V290 WeakPolarHBondContact O-CG2 3.31Å; P286-V290 PolarHBondContact O-N 3.1Å; P286-V290 VanDerWaalsContact O-N 3.14Å; P286-I324 HydrophobicContact CB-CG2 4.08Å; P286-I327 HydrophobicContact CB-CG2 4.16Å; P286-I327 HydrophobicContact CG-CG2 4.4Å; P286-R328 HydrophobicContact CB-CG 3.76Å; P286-R328 HydrophobicContact CG-CG 4.17Å
287H98.7Very high97.6Very high37 Ų3723.4 Ų23.417%0.17113%0.131CC..Hα-helixtrans-75.1-41.1-178.3-55.5-82.2000111.9V283 L284 L285 Q289 V290 F291 I378 A381 A382V283-H287 PolarHBondContact O-CD2 3.42Å; L284-H287 PolarHBondContact O-N 3.47Å; L284-H287 VanDerWaalsContact O-N 3.09Å; L285-H287 VanDerWaalsContact C-N 3.26Å; L285-H287 PolarHBondContact O-N 2.91Å; H287-Q289 VanDerWaalsContact C-N 3.34Å; H287-V290 WeakPolarHBondContact O-CB 3.46Å; H287-V290 PolarHBondContact O-N 2.95Å; H287-F291 PolarHBondContact O-N 3.28Å; H287-I378 HydrophobicContact CB-CG2 3.99Å; H287-A381 PolarHBondContact CE1-O 3.21Å; H287-A381 PolarHBondContact ND1-O 2.85Å; H287-A381 VanDerWaalsContact ND1-O 3.1Å; H287-A382 HydrophobicContact CB-CB 4.45Å
288V98.9Very high97.9Very high0 Ų022.9 Ų22.90%014%0.135CC..Hα-helixtrans-66.3-37.9173.8175.40000110.9V262 M265 L284 L285 V290 F291 N292 I378V262-V288 HydrophobicContact CB-CG2 4.47Å; V262-V288 HydrophobicContact CG2-CB 3.59Å; V262-V288 HydrophobicContact CG2-CG1 3.71Å; V262-V288 HydrophobicContact CG2-CG2 3.87Å; M265-V288 HydrophobicContact SD-CG2 3.91Å; L284-V288 PolarHBondContact O-N 3.45Å; L285-V288 PolarHBondContact O-N 3.15Å; V288-V290 VanDerWaalsContact C-N 3.32Å; V288-V290 PolarHBondContact O-N 3.38Å; V288-F291 WeakPolarHBondContact O-CA 3.38Å; V288-F291 WeakPolarHBondContact O-CB 3.35Å; V288-F291 PolarHBondContact O-N 2.97Å; V288-N292 PolarHBondContact O-N 3.43Å; V288-I378 HydrophobicContact CG2-CG2 3.85Å
289Q98.8Very high98.3Very high0 Ų025.3 Ų25.30%014%0.141CC..Hα-helixtrans-70.4-26.5177.9-60.7-42.1-37.600113.3I200 L285 H287 F291 N292 S293 L300 I324 I327I200-Q289 HydrophobicContact CG2-CG 4.11Å; L285-Q289 HydrophobicContact CD1-CG 3.78Å; L285-Q289 WeakPolarHBondContact O-CG 3.49Å; L285-Q289 PolarHBondContact O-N 2.98Å; H287-Q289 VanDerWaalsContact C-N 3.34Å; Q289-F291 VanDerWaalsContact C-N 3.32Å; Q289-N292 PolarHBondContact O-N 3.39Å; Q289-N292 PolarHBondContact OE1-ND2 2.94Å; Q289-S293 WeakPolarHBondContact O-CB 3.29Å; Q289-S293 PolarHBondContact O-N 3.15Å; Q289-L300 HydrophobicContact CB-CD1 4.23Å; Q289-L300 HydrophobicContact CB-CD2 4.26Å; Q289-L300 HydrophobicContact CG-CD2 4.17Å; Q289-I324 HydrophobicContact CB-CG1 4Å; Q289-I327 HydrophobicContact CG-CD1 4.45Å
290V98.8Very high98.4Very high69 Ų6924.4 Ų24.442%0.41814%0.135SC..Hα-helixtrans-58.2-47.2165.5171.10000110.1P286 H287 V288 S293 I324P286-V290 WeakPolarHBondContact O-CG2 3.31Å; P286-V290 PolarHBondContact O-N 3.1Å; P286-V290 VanDerWaalsContact O-N 3.14Å; H287-V290 WeakPolarHBondContact O-CB 3.46Å; H287-V290 PolarHBondContact O-N 2.95Å; V288-V290 VanDerWaalsContact C-N 3.32Å; V288-V290 PolarHBondContact O-N 3.38Å; V290-S293 PolarHBondContact O-N 2.89Å; V290-S293 PolarHBondContact O-OG 3.34Å; V290-I324 HydrophobicContact CB-CD1 4.44Å; V290-I324 HydrophobicContact CG2-CD1 3.87Å; V290-I324 HydrophobicContact CG2-CG2 3.96Å
291F98.8Very high98.6Very high12 Ų1227.9 Ų27.95%0.05315%0.148CC..Hα-helixtrans-62.9-48.3176.9178.2-99.5000112.3Y261 H287 V288 Q289 S293 K294 I368 A370 E374 I378Y261-F291 HydrophobicContact CD2-CD1 4.41Å; Y261-F291 HydrophobicContact CD2-CE1 4.16Å; Y261-F291 HydrophobicContact CE2-CE1 4.06Å; H287-F291 PolarHBondContact O-N 3.28Å; V288-F291 WeakPolarHBondContact O-CA 3.38Å; V288-F291 WeakPolarHBondContact O-CB 3.35Å; V288-F291 PolarHBondContact O-N 2.97Å; Q289-F291 VanDerWaalsContact C-N 3.32Å; F291-S293 VanDerWaalsContact C-N 3.26Å; F291-S293 PolarHBondContact O-N 3.36Å; F291-K294 HydrophobicContact CD2-CD 4.46Å; F291-K294 VanDerWaalsContact CE2-NZ 3.35Å; F291-K294 WeakPolarHBondContact O-CB 3.21Å; F291-K294 WeakPolarHBondContact O-CD 3.49Å; F291-K294 VanDerWaalsContact O-CG 3.27Å; F291-K294 WeakPolarHBondContact O-CG 3.32Å; F291-K294 PolarHBondContact O-N 3.14Å; F291-I368 HydrophobicContact CD1-CG2 3.86Å; F291-I368 HydrophobicContact CE1-CB 4.34Å; F291-I368 HydrophobicContact CE1-CG1 4.22Å; F291-I368 HydrophobicContact CE1-CG2 3.48Å; F291-I368 VanDerWaalsContact CE1-CG2 3.48Å; F291-I368 HydrophobicContact CZ-CD1 4.38Å; F291-I368 HydrophobicContact CZ-CG1 4.13Å; F291-I368 HydrophobicContact CZ-CG2 4.18Å; F291-A370 HydrophobicContact CE1-CB 3.86Å; F291-A370 HydrophobicContact CE2-CB 4.37Å; F291-A370 HydrophobicContact CZ-CB 3.58Å; F291-E374 HydrophobicContact CE2-CB 4.07Å; F291-E374 HydrophobicContact CE2-CG 4.15Å; F291-E374 WeakPolarHBondContact CE2-OE1 3.48Å; F291-I378 HydrophobicContact CB-CD1 3.84Å; F291-I378 HydrophobicContact CB-CG1 4.32Å; F291-I378 HydrophobicContact CD1-CD1 4.25Å; F291-I378 HydrophobicContact CD2-CD1 4.25Å; F291-I378 HydrophobicContact CG-CD1 3.87Å
292N98.8Very high98.6Very high0 Ų030.5 Ų30.50%016%0.162CC..Hα-helixtrans-67.2-24.5-178.7-72.1-11.5000113.2V288 Q289 K294 V295 A296 N366 P367V288-N292 PolarHBondContact O-N 3.43Å; Q289-N292 PolarHBondContact O-N 3.39Å; Q289-N292 PolarHBondContact OE1-ND2 2.94Å; N292-K294 PolarHBondContact O-N 3.34Å; N292-V295 PolarHBondContact O-N 3.25Å; N292-A296 WeakPolarHBondContact O-CB 3.36Å; N292-A296 PolarHBondContact O-N 2.99Å; N292-N366 PolarHBondContact ND2-OD1 3.34Å; N292-N366 VanDerWaalsContact ND2-OD1 3.09Å; N292-N366 PolarHBondContact OD1-ND2 2.96Å; N292-N366 PolarHBondContact OD1-OD1 3.49Å; N292-P367 HydrophobicContact CB-CG 3.92Å
293S98.7Very high98.7Very high35 Ų3530.4 Ų30.425%0.24516%0.161CC..Hα-helixtrans-57.6-23.2177.4750000113.3Q289 V290 F291 V295 A297Q289-S293 WeakPolarHBondContact O-CB 3.29Å; Q289-S293 PolarHBondContact O-N 3.15Å; V290-S293 PolarHBondContact O-N 2.89Å; V290-S293 PolarHBondContact O-OG 3.34Å; F291-S293 VanDerWaalsContact C-N 3.26Å; F291-S293 PolarHBondContact O-N 3.36Å; S293-V295 PolarHBondContact O-N 2.96Å; S293-V295 VanDerWaalsContact O-N 3.11Å; S293-A297 VanDerWaalsContact O-CB 3.31Å; S293-A297 WeakPolarHBondContact O-CB 3.47Å; S293-A297 PolarHBondContact O-N 3.23Å
294K98.3Very high98.7Very high127 Ų12730.1 Ų30.155%0.55216%0.16SC*.Hα-helixtrans-55.2-28.8173.3-63.9173.4-175.8174.90113F291 N292 I368 E374F291-K294 HydrophobicContact CD2-CD 4.46Å; F291-K294 VanDerWaalsContact CE2-NZ 3.35Å; F291-K294 WeakPolarHBondContact O-CB 3.21Å; F291-K294 WeakPolarHBondContact O-CD 3.49Å; F291-K294 VanDerWaalsContact O-CG 3.27Å; F291-K294 WeakPolarHBondContact O-CG 3.32Å; F291-K294 PolarHBondContact O-N 3.14Å; N292-K294 PolarHBondContact O-N 3.34Å; K294-I368 HydrophobicContact CB-CD1 4.34Å; K294-I368 HydrophobicContact CD-CD1 4.26Å; K294-E374 IonicContact NZ-OE1 3.48Å; K294-E374 PolarHBondContact NZ-OE1 3.23Å
295V98.5Very high98.7Very high94 Ų9432.5 Ų32.557%0.5718%0.179SC*.Hα-helixtrans-125.5-33.3-177.51760000112.4N292 S293 I368N292-V295 PolarHBondContact O-N 3.25Å; S293-V295 PolarHBondContact O-N 2.96Å; S293-V295 VanDerWaalsContact O-N 3.11Å; V295-I368 HydrophobicContact CB-CB 4.33Å; V295-I368 HydrophobicContact CG2-CB 3.89Å; V295-I368 HydrophobicContact CG2-CD1 3.88Å; V295-I368 HydrophobicContact CG2-CG1 4.34Å; V295-I368 HydrophobicContact CG2-CG2 4.47Å
296A98.6Very high98.7Very high5 Ų533.3 Ų33.34%0.04119%0.186CC..Hα-helixtrans-101.617-173.600000113.9V204 N292 A298 R299 L300 P367V204-A296 HydrophobicContact CB-CB 4.01Å; V204-A296 HydrophobicContact CG1-CB 4.05Å; N292-A296 WeakPolarHBondContact O-CB 3.36Å; N292-A296 PolarHBondContact O-N 2.99Å; A296-A298 VanDerWaalsContact C-N 3.32Å; A296-A298 PolarHBondContact O-N 3.36Å; A296-R299 PolarHBondContact O-N 3.37Å; A296-L300 PolarHBondContact O-N 3.39Å; A296-P367 HydrophobicContact CB-CB 4.21Å; A296-P367 HydrophobicContact CB-CG 4.18Å
297A98.8Very high98.8Very high16 Ų1634.1 Ų34.113%0.13219%0.189CC..Hα-helixtrans-51.1-46.9-175.600000113.7S293 R299 L300 R301 D316 A320S293-A297 VanDerWaalsContact O-CB 3.31Å; S293-A297 WeakPolarHBondContact O-CB 3.47Å; S293-A297 PolarHBondContact O-N 3.23Å; A297-R299 VanDerWaalsContact C-N 3.32Å; A297-R299 PolarHBondContact O-N 3.02Å; A297-L300 PolarHBondContact O-N 2.84Å; A297-R301 PolarHBondContact O-N 3.09Å; A297-D316 HydrophobicContact CB-CB 3.89Å; A297-A320 HydrophobicContact CB-CB 4.08Å
298A98.7Very high98.7Very high37 Ų3735.7 Ų35.731%0.30622%0.215SC..Hα-helixtrans-59.9-41.9179.100000112.1A296 R301 D302 D316A296-A298 VanDerWaalsContact C-N 3.32Å; A296-A298 PolarHBondContact O-N 3.36Å; A298-R301 WeakPolarHBondContact O-CB 3.27Å; A298-R301 PolarHBondContact O-N 2.94Å; A298-D302 PolarHBondContact O-N 2.88Å; A298-D316 HydrophobicContact CB-CB 4.33Å
299R98.8Very high98.7Very high65 Ų6537.9 Ų37.925%0.24523%0.228CC..Hα-helixtrans-72-35.9-179.8-62.3-173.169.778.5-8.6111.6Y203 V204 D213 A296 A297 R301 D302 C303Y203-R299 HydrophobicContact CD1-CB 3.91Å; Y203-R299 HydrophobicContact CE1-CB 3.72Å; Y203-R299 HydrophobicContact CE1-CG 4.27Å; Y203-R299 WeakPolarHBondContact CE1-O 3.35Å; Y203-R299 PolarHBondContact O-NE 3.14Å; Y203-R299 PolarHBondContact O-NH2 3.05Å; V204-R299 HydrophobicContact CG1-CB 4.25Å; D213-R299 IonicContact OD1-CZ 2.81Å; D213-R299 IonicContact OD1-NH2 3.2Å; D213-R299 PolarHBondContact OD1-NH2 3.35Å; D213-R299 IonicContact OD2-CZ 2.85Å; D213-R299 IonicContact OD2-NH1 3.53Å; D213-R299 PolarHBondContact OD2-NH1 3.31Å; D213-R299 IonicContact OD2-NH2 3.18Å; D213-R299 PolarHBondContact OD2-NH2 2.79Å; A296-R299 PolarHBondContact O-N 3.37Å; A297-R299 VanDerWaalsContact C-N 3.32Å; A297-R299 PolarHBondContact O-N 3.02Å; R299-R301 VanDerWaalsContact C-N 3.32Å; R299-R301 PolarHBondContact O-N 3.07Å; R299-D302 WeakPolarHBondContact O-CB 3.46Å; R299-D302 PolarHBondContact O-N 3.37Å; R299-C303 PolarHBondContact O-N 3.34Å; R299-C303 VanDerWaalsContact O-N 3.11Å; R299-C303 PolarHBondContact O-SG 2.92Å
300L98.9Very high98.7Very high0 Ų043.5 Ų43.50%026%0.259CS..Hα-helixtrans-66.3-33.5171.9-68.9174.2000112.1I200 V204 Q289 A296 A297 D302 C303 A304 A320 C323I200-L300 HydrophobicContact CG2-CD2 4.12Å; V204-L300 HydrophobicContact CG1-CD2 3.9Å; V204-L300 HydrophobicContact CG1-CG 4.24Å; Q289-L300 HydrophobicContact CB-CD1 4.23Å; Q289-L300 HydrophobicContact CB-CD2 4.26Å; Q289-L300 HydrophobicContact CG-CD2 4.17Å; A296-L300 PolarHBondContact O-N 3.39Å; A297-L300 PolarHBondContact O-N 2.84Å; L300-D302 VanDerWaalsContact C-N 3.29Å; L300-D302 PolarHBondContact O-N 3.44Å; L300-C303 WeakPolarHBondContact O-CB 3.47Å; L300-C303 PolarHBondContact O-N 3.06Å; L300-A304 PolarHBondContact O-N 3.41Å; L300-A320 HydrophobicContact CB-CB 3.82Å; L300-A320 HydrophobicContact CD1-CB 4.1Å; L300-C323 HydrophobicContact CB-CB 4.28Å; L300-C323 VanDerWaalsContact O-CB 3.25Å; L300-C323 WeakPolarHBondContact O-CB 3.2Å
301R98.8Very high98.7Very high73 Ų7341.3 Ų41.328%0.27525%0.245SC..Hα-helixtrans-59.5-40.8170.5-177.1-175.973-159.5-10.1111.5A297 A298 R299 C303 A304 A305 V311 D316A297-R301 PolarHBondContact O-N 3.09Å; A298-R301 WeakPolarHBondContact O-CB 3.27Å; A298-R301 PolarHBondContact O-N 2.94Å; R299-R301 VanDerWaalsContact C-N 3.32Å; R299-R301 PolarHBondContact O-N 3.07Å; R301-C303 VanDerWaalsContact C-N 3.34Å; R301-A304 WeakPolarHBondContact O-CB 3.35Å; R301-A304 PolarHBondContact O-N 3.39Å; R301-A305 PolarHBondContact O-N 2.99Å; R301-V311 HydrophobicContact CG-CB 3.89Å; R301-V311 HydrophobicContact CG-CG1 4.12Å; R301-V311 HydrophobicContact CG-CG2 3.85Å; R301-D316 IonicContact CZ-OD1 3.1Å; R301-D316 IonicContact NE-OD1 3.83Å; R301-D316 IonicContact NH1-OD1 2.68Å; R301-D316 PolarHBondContact NH1-OD1 2.83Å; R301-D316 IonicContact NH2-OD1 3.44Å; R301-D316 PolarHBondContact NH2-OD1 3.35Å
302D98.9Very high98.6Very high55 Ų5546.7 Ų46.729%0.29428%0.279SS..Hα-helixtrans-63.3-41.8175.5-55-26.5000111Y203 L217 A298 R299 L300 A304 A305 A306Y203-D302 HydrophobicContact CE1-CB 3.82Å; Y203-D302 PolarHBondContact OH-OD2 3.39Å; L217-D302 HydrophobicContact CD2-CB 4.17Å; A298-D302 PolarHBondContact O-N 2.88Å; R299-D302 WeakPolarHBondContact O-CB 3.46Å; R299-D302 PolarHBondContact O-N 3.37Å; L300-D302 VanDerWaalsContact C-N 3.29Å; L300-D302 PolarHBondContact O-N 3.44Å; D302-A304 VanDerWaalsContact C-N 3.34Å; D302-A304 PolarHBondContact O-N 2.94Å; D302-A305 WeakPolarHBondContact O-CB 3.46Å; D302-A305 PolarHBondContact O-N 3.06Å; D302-A306 WeakPolarHBondContact O-CB 3.41Å; D302-A306 PolarHBondContact O-N 2.92Å
303C98.9Very high98.6Very high0 Ų050.7 Ų50.70%032%0.32CS..Hα-helixtrans-61-40.3173.5-63.30000112Y203 R299 L300 R301 A305 A306 M307 C323Y203-C303 VanDerWaalsContact CD1-SG 3.58Å; R299-C303 PolarHBondContact O-N 3.34Å; R299-C303 VanDerWaalsContact O-N 3.11Å; R299-C303 PolarHBondContact O-SG 2.92Å; L300-C303 WeakPolarHBondContact O-CB 3.47Å; L300-C303 PolarHBondContact O-N 3.06Å; R301-C303 VanDerWaalsContact C-N 3.34Å; C303-A305 VanDerWaalsContact C-N 3.34Å; C303-A305 PolarHBondContact O-N 3.46Å; C303-A306 PolarHBondContact O-N 3.27Å; C303-M307 VanDerWaalsContact O-CG 3.3Å; C303-M307 WeakPolarHBondContact O-CG 3.4Å; C303-M307 PolarHBondContact O-N 3.02Å; C303-C323 VanDerWaalsContact CB-SG 3.6Å
304A98.9Very high98.5Very high0 Ų052.9 Ų52.90%033%0.326CS..Hα-helixtrans-58.7-46174.400000111.6L300 R301 D302 A306 M307 G308 V309 V311 A322 C323L300-A304 PolarHBondContact O-N 3.41Å; R301-A304 WeakPolarHBondContact O-CB 3.35Å; R301-A304 PolarHBondContact O-N 3.39Å; D302-A304 VanDerWaalsContact C-N 3.34Å; D302-A304 PolarHBondContact O-N 2.94Å; A304-A306 VanDerWaalsContact C-N 3.34Å; A304-A306 PolarHBondContact O-N 3.38Å; A304-M307 PolarHBondContact O-N 2.81Å; A304-G308 PolarHBondContact O-N 3.42Å; A304-V309 HydrophobicContact CB-CB 4.24Å; A304-V309 VanDerWaalsContact O-CB 3.29Å; A304-V309 WeakPolarHBondContact O-CB 3.43Å; A304-V309 PolarHBondContact O-N 2.74Å; A304-V311 HydrophobicContact CB-CG1 3.71Å; A304-A322 HydrophobicContact CB-CB 4.45Å; A304-C323 HydrophobicContact CB-CB 3.79Å
305A98.8Very high98.5Very high50 Ų5050.8 Ų50.841%0.41332%0.32SS..Hα-helixtrans-61.2-43.917600000111.4R301 D302 C303 M307 G308 V311R301-A305 PolarHBondContact O-N 2.99Å; D302-A305 WeakPolarHBondContact O-CB 3.46Å; D302-A305 PolarHBondContact O-N 3.06Å; C303-A305 VanDerWaalsContact C-N 3.34Å; C303-A305 PolarHBondContact O-N 3.46Å; A305-M307 VanDerWaalsContact C-N 3.28Å; A305-M307 PolarHBondContact O-N 2.96Å; A305-G308 PolarHBondContact O-N 2.82Å; A305-V311 HydrophobicContact CB-CG2 3.88Å
306A98.8Very high98.5Very high16 Ų1649.4 Ų49.413%0.13231%0.31CS..Hα-helixtrans-62.5-33.3176.400000112.6L217 V220 T221 D302 C303 A304 G308L217-A306 HydrophobicContact CD2-CB 4.05Å; V220-A306 HydrophobicContact CB-CB 4.08Å; V220-A306 HydrophobicContact CG1-CB 3.73Å; T221-A306 WeakPolarHBondContact CA-O 3.44Å; T221-A306 WeakPolarHBondContact CB-O 3.35Å; T221-A306 PolarHBondContact OG1-O 3.21Å; D302-A306 WeakPolarHBondContact O-CB 3.41Å; D302-A306 PolarHBondContact O-N 2.92Å; C303-A306 PolarHBondContact O-N 3.27Å; A304-A306 VanDerWaalsContact C-N 3.34Å; A304-A306 PolarHBondContact O-N 3.38Å; A306-G308 PolarHBondContact O-N 3.4Å
307M98.8Very high98.5Very high26 Ų2652.2 Ų52.213%0.12833%0.333CS..THydrogen-bonded Turntrans-75.31.7172.6-66.6-177.276.400113.8L196 V220 A224 C303 A304 A305 A326 I327 L330L196-M307 HydrophobicContact CD2-CE 4.3Å; V220-M307 HydrophobicContact CG1-CB 4.48Å; V220-M307 HydrophobicContact CG1-CG 3.37Å; V220-M307 HydrophobicContact CG1-SD 4.47Å; A224-M307 HydrophobicContact CB-CB 4.05Å; A224-M307 HydrophobicContact CB-CG 4.16Å; C303-M307 VanDerWaalsContact O-CG 3.3Å; C303-M307 WeakPolarHBondContact O-CG 3.4Å; C303-M307 PolarHBondContact O-N 3.02Å; A304-M307 PolarHBondContact O-N 2.81Å; A305-M307 VanDerWaalsContact C-N 3.28Å; A305-M307 PolarHBondContact O-N 2.96Å; M307-A326 HydrophobicContact CE-CB 3.88Å; M307-A326 HydrophobicContact SD-CB 4.01Å; M307-I327 HydrophobicContact CE-CG1 4.26Å; M307-I327 HydrophobicContact SD-CG1 4.02Å; M307-L330 HydrophobicContact CE-CB 4.41Å; M307-L330 HydrophobicContact CE-CD2 3.98Å
308G98.5Very high98.5Very high69 Ų6955.2 Ų55.271%0.71134%0.344SS*.THydrogen-bonded Turntrans87.411.717900000114.8A304 A305 A306A304-G308 PolarHBondContact O-N 3.42Å; A305-G308 PolarHBondContact O-N 2.82Å; A306-G308 PolarHBondContact O-N 3.4Å
309V98.6Very high98.5Very high46 Ų4653.5 Ų53.528%0.27933%0.33SS..  trans-83.2129.1176.7-173.20000110.2A304 V311 A322 A326A304-V309 HydrophobicContact CB-CB 4.24Å; A304-V309 VanDerWaalsContact O-CB 3.29Å; A304-V309 WeakPolarHBondContact O-CB 3.43Å; A304-V309 PolarHBondContact O-N 2.74Å; V309-V311 HydrophobicContact CG1-CG1 4.47Å; V309-V311 PolarHBondContact O-N 2.66Å; V309-V311 VanDerWaalsContact O-N 3.12Å; V309-A322 HydrophobicContact CG1-CB 4.09Å; V309-A326 HydrophobicContact CG2-CB 3.73Å
310N98.4Very high98.5Very high119 Ų11950.4 Ų50.464%0.63632%0.319SS*.  trans-71.8108.4173.9-1754000110.8T312N310-T312 WeakPolarHBondContact OD1-CB 3.41Å; N310-T312 PolarHBondContact OD1-N 2.84Å; N310-T312 PolarHBondContact OD1-OG1 3.42Å
311V98.2Very high98.5Very high22 Ų2256.1 Ų56.113%0.13335%0.345CS..  trans-10410.8177.3-63.40000113.7R301 A304 A305 V309 G313 K314R301-V311 HydrophobicContact CG-CB 3.89Å; R301-V311 HydrophobicContact CG-CG1 4.12Å; R301-V311 HydrophobicContact CG-CG2 3.85Å; A304-V311 HydrophobicContact CB-CG1 3.71Å; A305-V311 HydrophobicContact CB-CG2 3.88Å; V309-V311 HydrophobicContact CG1-CG1 4.47Å; V309-V311 PolarHBondContact O-N 2.66Å; V309-V311 VanDerWaalsContact O-N 3.12Å; V311-G313 PolarHBondContact O-N 2.74Å; V311-K314 HydrophobicContact CB-CB 4.49Å; V311-K314 HydrophobicContact CB-CD 4.42Å; V311-K314 HydrophobicContact CG1-CD 4.35Å; V311-K314 WeakPolarHBondContact O-CB 3.38Å; V311-K314 PolarHBondContact O-N 2.93Å
312T97.4Very high98.5Very high125 Ų12553.3 Ų53.377%0.76734%0.337SS*.THydrogen-bonded Turntrans-59.7127.1177-52.90000110.1N310 K314N310-T312 WeakPolarHBondContact OD1-CB 3.41Å; N310-T312 PolarHBondContact OD1-N 2.84Å; N310-T312 PolarHBondContact OD1-OG1 3.42Å; T312-K314 PolarHBondContact O-N 3.21Å
313G97.5Very high98.5Very high84 Ų8450.7 Ų50.787%0.86632%0.323SS*.THydrogen-bonded Turntrans78.7-4.3-178.800000115.1V311V311-G313 PolarHBondContact O-N 2.74Å
314K97.9Very high98.5Very high82 Ų8251 Ų5136%0.35733%0.325SS..  trans-80.6137.1171.5-68.5-173.8175.1-730110.7V311 T312 E318 A322V311-K314 HydrophobicContact CB-CB 4.49Å; V311-K314 HydrophobicContact CB-CD 4.42Å; V311-K314 HydrophobicContact CG1-CD 4.35Å; V311-K314 WeakPolarHBondContact O-CB 3.38Å; V311-K314 PolarHBondContact O-N 2.93Å; T312-K314 PolarHBondContact O-N 3.21Å; K314-E318 VanDerWaalsContact CA-OE2 3.32Å; K314-E318 WeakPolarHBondContact CA-OE2 3.45Å; K314-E318 HydrophobicContact CB-CB 3.87Å; K314-E318 HydrophobicContact CD-CB 4.23Å; K314-E318 HydrophobicContact CG-CB 4.12Å; K314-A322 HydrophobicContact CD-CB 4.36Å
315N98.5Very high98.5Very high83 Ų8354.2 Ų54.244%0.44434%0.342SS..  trans-71.1173.3166.170.351.7000110.8A317 E318 G319N315-A317 VanDerWaalsContact C-N 3.31Å; N315-A317 PolarHBondContact O-N 3.13Å; N315-A317 WeakPolarHBondContact OD1-CB 3.45Å; N315-A317 PolarHBondContact OD1-N 3.24Å; N315-E318 PolarHBondContact N-OE2 3.49Å; N315-E318 VanDerWaalsContact ND2-CD 3.3Å; N315-E318 PolarHBondContact ND2-OE2 2.81Å; N315-E318 PolarHBondContact O-N 3.17Å; N315-E318 PolarHBondContact OD1-N 3.4Å; N315-G319 PolarHBondContact O-N 2.6Å
316D98.6Very high98.5Very high64 Ų6452.7 Ų52.734%0.34233%0.33SS..Hα-helixtrans-60.3-39.3-175.9-65.1-13.9000112.7A297 A298 R301 G319 A320A297-D316 HydrophobicContact CB-CB 3.89Å; A298-D316 HydrophobicContact CB-CB 4.33Å; R301-D316 IonicContact CZ-OD1 3.1Å; R301-D316 IonicContact NE-OD1 3.83Å; R301-D316 IonicContact NH1-OD1 2.68Å; R301-D316 PolarHBondContact NH1-OD1 2.83Å; R301-D316 IonicContact NH2-OD1 3.44Å; R301-D316 PolarHBondContact NH2-OD1 3.35Å; D316-G319 PolarHBondContact O-N 3.45Å; D316-A320 WeakPolarHBondContact O-CB 3.37Å; D316-A320 PolarHBondContact O-N 2.94Å
317A98.6Very high98.5Very high64 Ų6452 Ų5253%0.52932%0.324SS..Hα-helixtrans-68.2-44.8179.800000111.8N315 G319 A320 E321N315-A317 VanDerWaalsContact C-N 3.31Å; N315-A317 PolarHBondContact O-N 3.13Å; N315-A317 WeakPolarHBondContact OD1-CB 3.45Å; N315-A317 PolarHBondContact OD1-N 3.24Å; A317-G319 VanDerWaalsContact C-N 3.27Å; A317-G319 PolarHBondContact O-N 3.1Å; A317-A320 PolarHBondContact O-N 3.21Å; A317-E321 PolarHBondContact O-N 2.89Å
318E98.7Very high98.5Very high80 Ų8055.3 Ų55.337%0.37434%0.335SS..Hα-helixtrans-64.1-34.7175-67.5170.7145.900111.8K314 N315 A322K314-E318 VanDerWaalsContact CA-OE2 3.32Å; K314-E318 WeakPolarHBondContact CA-OE2 3.45Å; K314-E318 HydrophobicContact CB-CB 3.87Å; K314-E318 HydrophobicContact CD-CB 4.23Å; K314-E318 HydrophobicContact CG-CB 4.12Å; N315-E318 PolarHBondContact N-OE2 3.49Å; N315-E318 VanDerWaalsContact ND2-CD 3.3Å; N315-E318 PolarHBondContact ND2-OE2 2.81Å; N315-E318 PolarHBondContact O-N 3.17Å; N315-E318 PolarHBondContact OD1-N 3.4Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 3.11Å
319G98.7Very high98.5Very high0 Ų057.9 Ų57.90%033%0.328CS..Hα-helixtrans-67.7-42.7174.500000112.7N315 D316 A317 A322 C323N315-G319 PolarHBondContact O-N 2.6Å; D316-G319 PolarHBondContact O-N 3.45Å; A317-G319 VanDerWaalsContact C-N 3.27Å; A317-G319 PolarHBondContact O-N 3.1Å; G319-A322 WeakPolarHBondContact O-CB 3.4Å; G319-A322 PolarHBondContact O-N 3.31Å; G319-C323 PolarHBondContact O-N 3.37Å
320A98.8Very high98.5Very high1 Ų156.3 Ų56.31%0.00832%0.318CS..Hα-helixtrans-63.8-43.9174.800000111.9A297 L300 D316 A317 A322 C323 I324A297-A320 HydrophobicContact CB-CB 4.08Å; L300-A320 HydrophobicContact CB-CB 3.82Å; L300-A320 HydrophobicContact CD1-CB 4.1Å; D316-A320 WeakPolarHBondContact O-CB 3.37Å; D316-A320 PolarHBondContact O-N 2.94Å; A317-A320 PolarHBondContact O-N 3.21Å; A320-A322 VanDerWaalsContact C-N 3.29Å; A320-A322 PolarHBondContact O-N 2.96Å; A320-C323 VanDerWaalsContact O-CB 3.32Å; A320-C323 WeakPolarHBondContact O-CB 3.41Å; A320-C323 PolarHBondContact O-N 3.39Å; A320-C323 VanDerWaalsContact O-N 3.17Å; A320-I324 WeakPolarHBondContact O-CD1 3.39Å; A320-I324 VanDerWaalsContact O-CG1 3.3Å; A320-I324 WeakPolarHBondContact O-CG1 3.29Å; A320-I324 PolarHBondContact O-N 3.28Å
321E98.8Very high98.5Very high120 Ų12051.2 Ų51.256%0.56129%0.293SS*.Hα-helixtrans-59.2-42.4173.6-174.2-179.5-175.200111.4A317 C323 I324 N325A317-E321 PolarHBondContact O-N 2.89Å; E321-C323 VanDerWaalsContact C-N 3.34Å; E321-C323 PolarHBondContact O-N 3.07Å; E321-I324 PolarHBondContact O-N 3.16Å; E321-N325 WeakPolarHBondContact O-CB 3.49Å; E321-N325 PolarHBondContact O-N 2.95Å; E321-N325 PolarHBondContact O-ND2 2.86Å
322A98.8Very high98.5Very high13 Ų1357.6 Ų57.611%0.10732%0.319CS..Hα-helixtrans-62.1-39.1175.700000112.5A304 V309 K314 E318 G319 A320 A326A304-A322 HydrophobicContact CB-CB 4.45Å; V309-A322 HydrophobicContact CG1-CB 4.09Å; K314-A322 HydrophobicContact CD-CB 4.36Å; E318-A322 WeakPolarHBondContact O-CB 3.49Å; E318-A322 PolarHBondContact O-N 3.11Å; G319-A322 WeakPolarHBondContact O-CB 3.4Å; G319-A322 PolarHBondContact O-N 3.31Å; A320-A322 VanDerWaalsContact C-N 3.29Å; A320-A322 PolarHBondContact O-N 2.96Å; A322-A326 WeakPolarHBondContact O-CB 3.34Å; A322-A326 PolarHBondContact O-N 3.04Å
323C98.9Very high98.5Very high0 Ų058.8 Ų58.80%031%0.313CS..Hα-helixtrans-60-51.9172.7-171.80000111.5L300 C303 A304 G319 A320 E321 N325 A326 I327L300-C323 HydrophobicContact CB-CB 4.28Å; L300-C323 VanDerWaalsContact O-CB 3.25Å; L300-C323 WeakPolarHBondContact O-CB 3.2Å; C303-C323 VanDerWaalsContact CB-SG 3.6Å; A304-C323 HydrophobicContact CB-CB 3.79Å; G319-C323 PolarHBondContact O-N 3.37Å; A320-C323 VanDerWaalsContact O-CB 3.32Å; A320-C323 WeakPolarHBondContact O-CB 3.41Å; A320-C323 PolarHBondContact O-N 3.39Å; A320-C323 VanDerWaalsContact O-N 3.17Å; E321-C323 VanDerWaalsContact C-N 3.34Å; E321-C323 PolarHBondContact O-N 3.07Å; C323-N325 VanDerWaalsContact C-N 3.28Å; C323-N325 PolarHBondContact O-N 2.92Å; C323-A326 WeakPolarHBondContact O-CB 3.21Å; C323-A326 PolarHBondContact O-N 3.4Å; C323-A326 VanDerWaalsContact O-N 3.07Å; C323-I327 WeakPolarHBondContact O-CG1 3.33Å; C323-I327 PolarHBondContact O-N 3.45Å
324I98.8Very high98.5Very high7 Ų754.9 Ų54.94%0.03627%0.273CS..Hα-helixtrans-60.9-40.2-177.2-64.1158.2000110.6P286 Q289 V290 A320 E321 I327 R328P286-I324 HydrophobicContact CB-CG2 4.08Å; Q289-I324 HydrophobicContact CB-CG1 4Å; V290-I324 HydrophobicContact CB-CD1 4.44Å; V290-I324 HydrophobicContact CG2-CD1 3.87Å; V290-I324 HydrophobicContact CG2-CG2 3.96Å; A320-I324 WeakPolarHBondContact O-CD1 3.39Å; A320-I324 VanDerWaalsContact O-CG1 3.3Å; A320-I324 WeakPolarHBondContact O-CG1 3.29Å; A320-I324 PolarHBondContact O-N 3.28Å; E321-I324 PolarHBondContact O-N 3.16Å; I324-I327 PolarHBondContact O-N 3.06Å; I324-R328 VanDerWaalsContact CG2-CZ 3.41Å; I324-R328 WeakPolarHBondContact O-CG 3.5Å; I324-R328 PolarHBondContact O-N 2.98Å; I324-R328 VanDerWaalsContact O-N 3.09Å
325N98.7Very high98.5Very high67 Ų6758 Ų5836%0.35829%0.293SS..Hα-helixtrans-66.4-40.3175.2-70.1-21.9000112.1E321 C323 I327 R328 E329E321-N325 WeakPolarHBondContact O-CB 3.49Å; E321-N325 PolarHBondContact O-N 2.95Å; E321-N325 PolarHBondContact O-ND2 2.86Å; C323-N325 VanDerWaalsContact C-N 3.28Å; C323-N325 PolarHBondContact O-N 2.92Å; N325-I327 VanDerWaalsContact C-N 3.33Å; N325-I327 PolarHBondContact O-N 3.27Å; N325-R328 PolarHBondContact O-N 3.09Å; N325-R328 PolarHBondContact OD1-NH1 3.39Å; N325-E329 WeakPolarHBondContact O-CG 3.38Å; N325-E329 PolarHBondContact O-N 2.94Å
326A98.8Very high98.5Very high19 Ų1954.8 Ų54.816%0.15728%0.276CS..Hα-helixtrans-63.4-37.8175.100000112.6M307 V309 A322 C323 L330M307-A326 HydrophobicContact CE-CB 3.88Å; M307-A326 HydrophobicContact SD-CB 4.01Å; V309-A326 HydrophobicContact CG2-CB 3.73Å; A322-A326 WeakPolarHBondContact O-CB 3.34Å; A322-A326 PolarHBondContact O-N 3.04Å; C323-A326 WeakPolarHBondContact O-CB 3.21Å; C323-A326 PolarHBondContact O-N 3.4Å; C323-A326 VanDerWaalsContact O-N 3.07Å; A326-L330 WeakPolarHBondContact O-CB 3.27Å; A326-L330 PolarHBondContact O-N 2.93Å
327I98.7Very high98.3Very high0 Ų053.8 Ų53.80%027%0.273CS..Hα-helixtrans-60.6-47.4173-66.7165.4000110.4M193 I200 L285 P286 Q289 M307 C323 I324 N325 L330 A331M193-I327 HydrophobicContact CE-CG2 4.43Å; I200-I327 HydrophobicContact CD1-CD1 3.67Å; I200-I327 HydrophobicContact CD1-CG1 4.04Å; L285-I327 HydrophobicContact CB-CG2 4.44Å; L285-I327 HydrophobicContact CD2-CD1 4.22Å; L285-I327 HydrophobicContact CD2-CG1 4.39Å; L285-I327 HydrophobicContact CD2-CG2 3.62Å; L285-I327 HydrophobicContact CG-CD1 4.17Å; L285-I327 HydrophobicContact CG-CG2 3.86Å; P286-I327 HydrophobicContact CB-CG2 4.16Å; P286-I327 HydrophobicContact CG-CG2 4.4Å; Q289-I327 HydrophobicContact CG-CD1 4.45Å; M307-I327 HydrophobicContact CE-CG1 4.26Å; M307-I327 HydrophobicContact SD-CG1 4.02Å; C323-I327 WeakPolarHBondContact O-CG1 3.33Å; C323-I327 PolarHBondContact O-N 3.45Å; I324-I327 PolarHBondContact O-N 3.06Å; N325-I327 VanDerWaalsContact C-N 3.33Å; N325-I327 PolarHBondContact O-N 3.27Å; I327-L330 PolarHBondContact O-N 3.24Å; I327-A331 WeakPolarHBondContact O-CB 3.39Å; I327-A331 PolarHBondContact O-N 2.89Å
328R98.4Very high98.1Very high97 Ų9755.1 Ų55.137%0.36628%0.284SS..Hα-helixtrans-61.9-46.1178.7-70.6173.8-178.6135.51.2112.2P286 I324 N325 L330 A331 K332P286-R328 HydrophobicContact CB-CG 3.76Å; P286-R328 HydrophobicContact CG-CG 4.17Å; I324-R328 VanDerWaalsContact CG2-CZ 3.41Å; I324-R328 WeakPolarHBondContact O-CG 3.5Å; I324-R328 PolarHBondContact O-N 2.98Å; I324-R328 VanDerWaalsContact O-N 3.09Å; N325-R328 PolarHBondContact O-N 3.09Å; N325-R328 PolarHBondContact OD1-NH1 3.39Å; R328-L330 VanDerWaalsContact C-N 3.35Å; R328-A331 PolarHBondContact O-N 2.91Å; R328-K332 WeakPolarHBondContact O-CB 3.32Å; R328-K332 PolarHBondContact O-N 3.1Å
329E98.5Very high97.9Very high122 Ų12251.5 Ų51.557%0.5727%0.268SS*.Hα-helixtrans-64.2-40.3178.6-72.4-56.8134.800111.7N325 K333N325-E329 WeakPolarHBondContact O-CG 3.38Å; N325-E329 PolarHBondContact O-N 2.94Å; E329-K333 VanDerWaalsContact O-CB 3.27Å; E329-K333 WeakPolarHBondContact O-CB 3.23Å; E329-K333 PolarHBondContact O-N 3.22Å
330L98.7Very high97.8Very high13 Ų1351.5 Ų51.57%0.06827%0.268CS..Hα-helixtrans-63.9-48.8174.9179.158.7000111.5M193 L196 P228 M307 A326 I327 R328 K332 K333 V334M193-L330 HydrophobicContact SD-CD2 3.99Å; M193-L330 HydrophobicContact SD-CG 3.9Å; L196-L330 HydrophobicContact CD2-CD2 3.73Å; P228-L330 HydrophobicContact CG-CD1 3.58Å; M307-L330 HydrophobicContact CE-CB 4.41Å; M307-L330 HydrophobicContact CE-CD2 3.98Å; A326-L330 WeakPolarHBondContact O-CB 3.27Å; A326-L330 PolarHBondContact O-N 2.93Å; I327-L330 PolarHBondContact O-N 3.24Å; R328-L330 VanDerWaalsContact C-N 3.35Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 3.1Å; L330-K333 WeakPolarHBondContact O-CB 3.15Å; L330-K333 PolarHBondContact O-N 2.87Å; L330-K333 VanDerWaalsContact O-N 3.11Å; L330-V334 HydrophobicContact CD1-CG1 4.11Å; L330-V334 WeakPolarHBondContact O-CG2 3.49Å; L330-V334 PolarHBondContact O-N 3.29Å; L330-V334 VanDerWaalsContact O-N 3.07Å
331A98.2Very high97.7Very high12 Ų1259.4 Ų59.410%0.09930%0.297CS..Hα-helixtrans-56.2-44.9178.100000111.6M193 I327 R328 V334 D335 I336M193-A331 HydrophobicContact CE-CB 3.87Å; I327-A331 WeakPolarHBondContact O-CB 3.39Å; I327-A331 PolarHBondContact O-N 2.89Å; R328-A331 PolarHBondContact O-N 2.91Å; A331-V334 PolarHBondContact O-N 2.94Å; A331-D335 PolarHBondContact O-N 3.47Å; A331-I336 HydrophobicContact CB-CB 4.19Å; A331-I336 HydrophobicContact CB-CG1 4.34Å; A331-I336 WeakPolarHBondContact O-CB 3.37Å; A331-I336 PolarHBondContact O-N 3.33Å
332K97.9Very high97.6Very high157 Ų15758.2 Ų58.268%0.68330%0.295SS*.Hα-helixtrans-63.6-43.5175-177.5-178177.6-174.60112.3R328 L330 V334 D335R328-K332 WeakPolarHBondContact O-CB 3.32Å; R328-K332 PolarHBondContact O-N 3.1Å; L330-K332 VanDerWaalsContact C-N 3.3Å; L330-K332 PolarHBondContact O-N 3.1Å; K332-V334 PolarHBondContact O-N 3.33Å; K332-D335 PolarHBondContact O-N 2.99Å
333K98.1Very high97.4Very high149 Ų14958.7 Ų58.765%0.64830%0.296SS*.Hα-helixtrans-62-31.6-179.6-174.2176.6-176.5-173.20112.5P228 E329 L330P228-K333 HydrophobicContact CB-CD 3.85Å; P228-K333 HydrophobicContact CB-CG 4.38Å; P228-K333 HydrophobicContact CG-CD 3.95Å; E329-K333 VanDerWaalsContact O-CB 3.27Å; E329-K333 WeakPolarHBondContact O-CB 3.23Å; E329-K333 PolarHBondContact O-N 3.22Å; L330-K333 WeakPolarHBondContact O-CB 3.15Å; L330-K333 PolarHBondContact O-N 2.87Å; L330-K333 VanDerWaalsContact O-N 3.11Å
334V98.3Very high97.3Very high3 Ų365.1 Ų65.12%0.01833%0.33CS..THydrogen-bonded Turntrans-100.814.5-179.5-52.90000113.4A189 M193 L227 P228 V231 L330 A331 K332 I336A189-V334 HydrophobicContact CB-CB 3.96Å; A189-V334 HydrophobicContact CB-CG2 3.96Å; A189-V334 WeakPolarHBondContact CB-O 3.45Å; M193-V334 HydrophobicContact CG-CG2 4.03Å; M193-V334 HydrophobicContact SD-CG2 4.4Å; L227-V334 HydrophobicContact CD2-CG1 4.39Å; L227-V334 HydrophobicContact CD2-CG2 4.41Å; L227-V334 HydrophobicContact CG-CG1 4.12Å; P228-V334 HydrophobicContact CB-CG1 4.47Å; P228-V334 HydrophobicContact CG-CG1 4.37Å; V231-V334 HydrophobicContact CB-CB 4.5Å; V231-V334 HydrophobicContact CB-CG1 4.45Å; V231-V334 HydrophobicContact CG1-CB 4.31Å; V231-V334 HydrophobicContact CG2-CB 4.16Å; V231-V334 HydrophobicContact CG2-CG1 4.24Å; L330-V334 HydrophobicContact CD1-CG1 4.11Å; L330-V334 WeakPolarHBondContact O-CG2 3.49Å; L330-V334 PolarHBondContact O-N 3.29Å; L330-V334 VanDerWaalsContact O-N 3.07Å; A331-V334 PolarHBondContact O-N 2.94Å; K332-V334 PolarHBondContact O-N 3.33Å; V334-I336 HydrophobicContact CG2-CG1 3.88Å
335D97.2Very high97.2Very high147 Ų14765 Ų6579%0.78633%0.33SS*.THydrogen-bonded Turntrans62.441.2172.2-157.238.1000114.3A331 K332A331-D335 PolarHBondContact O-N 3.47Å; K332-D335 PolarHBondContact O-N 2.99Å
336I97.7Very high97.1Very high16 Ų1667 Ų678%0.08234%0.335CS..  trans-75139.7167.8-61.2-68.8000108.8A189 M193 A282 V283 A331 V334A189-I336 HydrophobicContact CB-CD1 4.2Å; M193-I336 HydrophobicContact CB-CD1 4.39Å; M193-I336 HydrophobicContact CG-CD1 4.06Å; M193-I336 HydrophobicContact CG-CG1 3.94Å; A282-I336 HydrophobicContact CB-CD1 3.92Å; A282-I336 HydrophobicContact CB-CG1 4.09Å; A282-I336 HydrophobicContact CB-CG2 3.64Å; V283-I336 HydrophobicContact CG2-CG2 4.04Å; A331-I336 HydrophobicContact CB-CB 4.19Å; A331-I336 HydrophobicContact CB-CG1 4.34Å; A331-I336 WeakPolarHBondContact O-CB 3.37Å; A331-I336 PolarHBondContact O-N 3.33Å; V334-I336 HydrophobicContact CG2-CG1 3.88Å
337P95.5Very high97.1Very high43 Ų4370.7 Ų70.728%0.27935%0.349SS..  trans-47.3143.2171.2-30.337000112.8V279 V283 G339 D342 L343V279-P337 HydrophobicContact CG1-CG 3.86Å; V283-P337 HydrophobicContact CG2-CB 4.4Å; V283-P337 WeakPolarHBondContact CG2-O 3.36Å; P337-G339 VanDerWaalsContact C-N 3.27Å; P337-G339 PolarHBondContact O-N 2.92Å; P337-D342 HydrophobicContact CB-CB 3.84Å; P337-L343 HydrophobicContact CB-CD2 4.25Å; P337-L343 HydrophobicContact CG-CD2 4.03Å
338A92.9Very high97Very high92 Ų9277.6 Ų77.676%0.7638%0.381SS*.SBendtrans-73.7-23.3-170.900000112.8D342A338-D342 PolarHBondContact N-OD2 3.02Å
339G96.1Very high96.9Very high3 Ų374.2 Ų74.23%0.03137%0.371CS..SBendtrans-169.3178.3-175.600000113P337 R341 D342 A382P337-G339 VanDerWaalsContact C-N 3.27Å; P337-G339 PolarHBondContact O-N 2.92Å; G339-R341 PolarHBondContact O-N 2.98Å; G339-D342 PolarHBondContact O-N 3.46Å; G339-A382 CarbonylContact C-O 3.6Å; G339-A382 VanDerWaalsContact CA-O 3.25Å; G339-A382 WeakPolarHBondContact CA-O 3.21Å
340L97Very high96.9Very high0 Ų068.5 Ų68.50%034%0.344CS..G310 helixtrans-67.4-24.2-179.2-64.5177.6000112.5L269 V283 L284 D342 L343 N344 V345 Y379 A382 M383L269-L340 HydrophobicContact CD1-CD2 3.55Å; V283-L340 HydrophobicContact CG1-CD2 3.88Å; V283-L340 HydrophobicContact CG1-CG 4.07Å; L284-L340 HydrophobicContact CD2-CD1 4.26Å; L340-D342 VanDerWaalsContact C-N 3.31Å; L340-D342 PolarHBondContact O-N 3.31Å; L340-L343 HydrophobicContact CD2-CD1 4.34Å; L340-L343 CarbonylContact O-C 3.57Å; L340-L343 WeakPolarHBondContact O-CA 3.46Å; L340-L343 WeakPolarHBondContact O-CB 3.37Å; L340-L343 PolarHBondContact O-N 3.34Å; L340-L343 VanDerWaalsContact O-N 3.09Å; L340-N344 PolarHBondContact O-N 2.89Å; L340-V345 HydrophobicContact CB-CB 3.95Å; L340-V345 HydrophobicContact CB-CG1 4.35Å; L340-V345 HydrophobicContact CB-CG2 4.22Å; L340-V345 HydrophobicContact CD2-CG2 4.34Å; L340-V345 WeakPolarHBondContact O-CB 3.36Å; L340-V345 PolarHBondContact O-N 2.98Å; L340-V345 VanDerWaalsContact O-N 3.15Å; L340-Y379 HydrophobicContact CD1-CD1 3.74Å; L340-A382 HydrophobicContact CD1-CB 3.83Å; L340-A382 HydrophobicContact CG-CB 4Å; L340-A382 WeakPolarHBondContact CG-O 3.43Å; L340-A382 PolarHBondContact N-O 3.27Å; L340-M383 HydrophobicContact CB-SD 3.9Å
341R96.2Very high96.9Very high167 Ų16770.5 Ų70.563%0.6336%0.362SS*.G310 helixtrans-60.8-39.5172.9-174.8178.3-64.1159.44.8112.6G339 L343 N344 M383G339-R341 PolarHBondContact O-N 2.98Å; R341-L343 PolarHBondContact O-N 3.32Å; R341-N344 PolarHBondContact O-N 2.85Å; R341-M383 HydrophobicContact CB-CE 3.92Å; R341-M383 WeakPolarHBondContact CB-OXT 3.3Å; R341-M383 HydrophobicContact CG-CE 4.47Å; R341-M383 PolarHBondContact N-OXT 2.97Å
342D95.6Very high96.8Very high96 Ų9672.8 Ų72.851%0.51338%0.375SS..G310 helixtrans-66.6-18.9177.9-66.1-16.9000111.9P337 A338 G339 L340P337-D342 HydrophobicContact CB-CB 3.84Å; A338-D342 PolarHBondContact N-OD2 3.02Å; G339-D342 PolarHBondContact O-N 3.46Å; L340-D342 VanDerWaalsContact C-N 3.31Å; L340-D342 PolarHBondContact O-N 3.31Å
343L95.4Very high96.7Very high23 Ų2365.3 Ų65.312%0.1234%0.342CS..G310 helixtrans-94.86.2175.1-55.7-178.6000113.1L275 V279 V283 P337 L340 R341 V345L275-L343 HydrophobicContact CD1-CB 3.94Å; L275-L343 HydrophobicContact CD1-CD1 4.35Å; L275-L343 HydrophobicContact CD2-CB 4.16Å; V279-L343 HydrophobicContact CG1-CD1 4.06Å; V279-L343 HydrophobicContact CG1-CD2 3.79Å; V283-L343 HydrophobicContact CG2-CD1 4.34Å; P337-L343 HydrophobicContact CB-CD2 4.25Å; P337-L343 HydrophobicContact CG-CD2 4.03Å; L340-L343 HydrophobicContact CD2-CD1 4.34Å; L340-L343 CarbonylContact O-C 3.57Å; L340-L343 WeakPolarHBondContact O-CA 3.46Å; L340-L343 WeakPolarHBondContact O-CB 3.37Å; L340-L343 PolarHBondContact O-N 3.34Å; L340-L343 VanDerWaalsContact O-N 3.09Å; R341-L343 PolarHBondContact O-N 3.32Å; L343-V345 HydrophobicContact CB-CG2 4.15Å; L343-V345 PolarHBondContact O-N 3.35Å
344N96Very high96.7Very high134 Ų13458.2 Ų58.272%0.71731%0.311SS*.THydrogen-bonded Turntrans58.926.5-176.6-54.6-69000114.5L340 R341L340-N344 PolarHBondContact O-N 2.89Å; R341-N344 PolarHBondContact O-N 2.85Å
345V97Very high96.6Very high6 Ų660.7 Ų60.74%0.03633%0.326CS..  trans-72.3140.8171.6176.50000109.1L269 Y273 L275 L340 L343 F350L269-V345 HydrophobicContact CD2-CG1 4.02Å; L269-V345 HydrophobicContact CD2-CG2 3.96Å; Y273-V345 HydrophobicContact CD2-CG2 4.19Å; Y273-V345 HydrophobicContact CE2-CB 4.25Å; Y273-V345 HydrophobicContact CE2-CG1 3.81Å; Y273-V345 HydrophobicContact CE2-CG2 4.08Å; L275-V345 HydrophobicContact CD1-CG2 3.66Å; L340-V345 HydrophobicContact CB-CB 3.95Å; L340-V345 HydrophobicContact CB-CG1 4.35Å; L340-V345 HydrophobicContact CB-CG2 4.22Å; L340-V345 HydrophobicContact CD2-CG2 4.34Å; L340-V345 WeakPolarHBondContact O-CB 3.36Å; L340-V345 PolarHBondContact O-N 2.98Å; L340-V345 VanDerWaalsContact O-N 3.15Å; L343-V345 HydrophobicContact CB-CG2 4.15Å; L343-V345 PolarHBondContact O-N 3.35Å; V345-F350 HydrophobicContact CG1-CE1 3.88Å
346K97.4Very high96.4Very high107 Ų10755.5 Ų55.547%0.46530%0.299SS..  trans-106.6137.9-177.3-52.2-179.6-178.1174.60111.4Y273 E348 D349Y273-K346 PolarHBondContact OH-N 2.66Å; K346-E348 HydrophobicContact CB-CG 3.85Å; K346-E348 HydrophobicContact CD-CG 4.12Å; K346-E348 WeakPolarHBondContact CD-OE1 3.47Å; K346-E348 IonicContact NZ-OE1 2.92Å; K346-E348 PolarHBondContact NZ-OE1 2.89Å; K346-E348 PolarHBondContact O-N 3.3Å; K346-D349 PolarHBondContact O-N 3.28Å; K346-D349 VanDerWaalsContact O-N 3.15Å
347E97.3Very high96.2Very high97 Ų9754.7 Ų54.745%0.45330%0.295SS..G310 helixtrans-63-28.7177.3179.3165.6-171.800112.8D349 F350 R380E347-D349 PolarHBondContact O-N 3.02Å; E347-F350 HydrophobicContact CB-CD2 4.25Å; E347-F350 HydrophobicContact CB-CE2 3.95Å; E347-F350 HydrophobicContact CB-CZ 4.23Å; E347-F350 HydrophobicContact CG-CD2 3.74Å; E347-F350 HydrophobicContact CG-CE2 3.72Å; E347-F350 HydrophobicContact CG-CG 4.47Å; E347-F350 HydrophobicContact CG-CZ 4.49Å; E347-F350 WeakPolarHBondContact O-CB 3.45Å; E347-F350 WeakPolarHBondContact O-CG 3.31Å; E347-F350 PolarHBondContact O-N 3.46Å; E347-F350 VanDerWaalsContact O-N 3.13Å; E347-R380 IonicContact OE1-CZ 3.95Å; E347-R380 IonicContact OE1-NE 2.67Å; E347-R380 PolarHBondContact OE1-NE 2.88Å; E347-R380 IonicContact OE1-NH2 2.74Å; E347-R380 PolarHBondContact OE1-NH2 3.49Å
348E97.6Very high96.3Very high145 Ų14556 Ų5668%0.67830%0.299SS*.G310 helixtrans-60.4-24.9176.567.8-164.7-163.800113.3K346K346-E348 HydrophobicContact CB-CG 3.85Å; K346-E348 HydrophobicContact CD-CG 4.12Å; K346-E348 WeakPolarHBondContact CD-OE1 3.47Å; K346-E348 IonicContact NZ-OE1 2.92Å; K346-E348 PolarHBondContact NZ-OE1 2.89Å; K346-E348 PolarHBondContact O-N 3.3Å
349D96.9Very high96.2Very high27 Ų2758.9 Ų58.914%0.14429%0.294CS..G310 helixtrans-89-7.5-178.9-63.2-45.6000112.8F272 Y273 K346 E347 A351 V352 L353F272-D349 HydrophobicContact CE1-CB 4.31Å; Y273-D349 VanDerWaalsContact OH-CB 3.3Å; Y273-D349 WeakPolarHBondContact OH-CB 3.37Å; Y273-D349 VanDerWaalsContact OH-CG 3.29Å; Y273-D349 PolarHBondContact OH-OD2 3.22Å; K346-D349 PolarHBondContact O-N 3.28Å; K346-D349 VanDerWaalsContact O-N 3.15Å; E347-D349 PolarHBondContact O-N 3.02Å; D349-A351 VanDerWaalsContact C-N 3.27Å; D349-A351 PolarHBondContact O-N 3.01Å; D349-V352 HydrophobicContact CB-CG1 4.3Å; D349-V352 WeakPolarHBondContact O-CG1 3.45Å; D349-V352 PolarHBondContact O-N 3.34Å; D349-V352 VanDerWaalsContact O-N 3.15Å; D349-L353 HydrophobicContact CB-CD1 4.23Å; D349-L353 HydrophobicContact CB-CG 4.43Å; D349-L353 VanDerWaalsContact O-CG 3.28Å; D349-L353 WeakPolarHBondContact O-CG 3.35Å; D349-L353 PolarHBondContact O-N 3.47Å
350F98.1Very high96Very high2 Ų259.7 Ų59.71%0.00930%0.298CS..Hα-helixtrans-60-35.4-174-71.3-4.3000113.8V345 E347 L353 A354 V376 Y379 R380 M383V345-F350 HydrophobicContact CG1-CE1 3.88Å; E347-F350 HydrophobicContact CB-CD2 4.25Å; E347-F350 HydrophobicContact CB-CE2 3.95Å; E347-F350 HydrophobicContact CB-CZ 4.23Å; E347-F350 HydrophobicContact CG-CD2 3.74Å; E347-F350 HydrophobicContact CG-CE2 3.72Å; E347-F350 HydrophobicContact CG-CG 4.47Å; E347-F350 HydrophobicContact CG-CZ 4.49Å; E347-F350 WeakPolarHBondContact O-CB 3.45Å; E347-F350 WeakPolarHBondContact O-CG 3.31Å; E347-F350 PolarHBondContact O-N 3.46Å; E347-F350 VanDerWaalsContact O-N 3.13Å; F350-L353 HydrophobicContact CD1-CD1 4.3Å; F350-A354 WeakPolarHBondContact O-CB 3.3Å; F350-A354 PolarHBondContact O-N 2.93Å; F350-V376 HydrophobicContact CB-CG1 4.19Å; F350-Y379 HydrophobicContact CD1-CG 4.22Å; F350-Y379 HydrophobicContact CE1-CG 4.39Å; F350-Y379 HydrophobicContact CG-CG 4.46Å; F350-R380 HydrophobicContact CD2-CB 4.43Å; F350-R380 HydrophobicContact CE2-CB 4.02Å; F350-M383 HydrophobicContact CE1-SD 4.32Å; F350-M383 HydrophobicContact CE2-CG 3.97Å; F350-M383 HydrophobicContact CZ-CG 3.53Å; F350-M383 HydrophobicContact CZ-SD 3.6Å
351A98Very high95.6Very high55 Ų5563.1 Ų63.146%0.45532%0.319SS..Hα-helixtrans-63.4-45.3179.200000111.6D349 T355 H372D349-A351 VanDerWaalsContact C-N 3.27Å; D349-A351 PolarHBondContact O-N 3.01Å; A351-T355 PolarHBondContact O-N 3.38Å; A351-T355 VanDerWaalsContact O-N 3.09Å; A351-T355 PolarHBondContact O-OG1 3.11Å; A351-T355 VanDerWaalsContact O-OG1 3.07Å; A351-H372 PolarHBondContact O-NE2 3.46Å
352V96.2Very high95.5Very high59 Ų5955.8 Ų55.836%0.35829%0.293SS..Hα-helixtrans-71.2-40.1179.461.70000111.4F272 D349 A354 T355 N356F272-V352 HydrophobicContact CE2-CG1 4.03Å; F272-V352 HydrophobicContact CZ-CG1 4.2Å; D349-V352 HydrophobicContact CB-CG1 4.3Å; D349-V352 WeakPolarHBondContact O-CG1 3.45Å; D349-V352 PolarHBondContact O-N 3.34Å; D349-V352 VanDerWaalsContact O-N 3.15Å; V352-A354 PolarHBondContact O-N 3.44Å; V352-T355 PolarHBondContact O-N 2.91Å; V352-N356 PolarHBondContact O-N 3.18Å; V352-N356 VanDerWaalsContact O-N 3.09Å
353L96Very high95.5Very high0 Ų051.3 Ų51.30%027%0.27CS..Hα-helixtrans-61.3-45.5175.8-63.5171.5000111.1Q268 L269 F272 Y273 D349 F350 T355 N356 A357 Y379Q268-L353 HydrophobicContact CB-CB 4.27Å; Q268-L353 HydrophobicContact CB-CD2 3.61Å; L269-L353 HydrophobicContact CD2-CD1 3.87Å; F272-L353 HydrophobicContact CB-CD2 3.86Å; F272-L353 HydrophobicContact CD2-CD2 4.38Å; F272-L353 HydrophobicContact CG-CD2 4.07Å; Y273-L353 HydrophobicContact CE2-CD1 4.2Å; D349-L353 HydrophobicContact CB-CD1 4.23Å; D349-L353 HydrophobicContact CB-CG 4.43Å; D349-L353 VanDerWaalsContact O-CG 3.28Å; D349-L353 WeakPolarHBondContact O-CG 3.35Å; D349-L353 PolarHBondContact O-N 3.47Å; F350-L353 HydrophobicContact CD1-CD1 4.3Å; L353-T355 PolarHBondContact O-N 3.24Å; L353-N356 PolarHBondContact O-N 3.34Å; L353-A357 WeakPolarHBondContact O-CB 3.39Å; L353-A357 PolarHBondContact O-N 3.11Å; L353-Y379 HydrophobicContact CB-CD2 4.45Å; L353-Y379 HydrophobicContact CB-CE2 3.68Å
354A97.7Very high95.5Very high0 Ų057.7 Ų57.70%030%0.297CS..Hα-helixtrans-63.1-41.3177.500000112.7F350 V352 N356 A357 L358 I375 V376F350-A354 WeakPolarHBondContact O-CB 3.3Å; F350-A354 PolarHBondContact O-N 2.93Å; V352-A354 PolarHBondContact O-N 3.44Å; A354-N356 VanDerWaalsContact C-N 3.28Å; A354-N356 PolarHBondContact O-N 2.95Å; A354-A357 PolarHBondContact O-N 3.27Å; A354-L358 WeakPolarHBondContact O-CG 3.36Å; A354-L358 PolarHBondContact O-N 3.03Å; A354-L358 VanDerWaalsContact O-N 3.09Å; A354-I375 HydrophobicContact CB-CB 3.91Å; A354-I375 HydrophobicContact CB-CG2 3.59Å; A354-V376 HydrophobicContact CB-CG2 3.57Å
355T96.3Very high95.5Very high55 Ų5552 Ų5234%0.33727%0.267SS..Hα-helixtrans-59.6-39.9175.3-64.90000112A351 V352 L353 K359 H372A351-T355 PolarHBondContact O-N 3.38Å; A351-T355 VanDerWaalsContact O-N 3.09Å; A351-T355 PolarHBondContact O-OG1 3.11Å; A351-T355 VanDerWaalsContact O-OG1 3.07Å; V352-T355 PolarHBondContact O-N 2.91Å; L353-T355 PolarHBondContact O-N 3.24Å; T355-K359 WeakPolarHBondContact O-CG 3.49Å; T355-H372 PolarHBondContact OG1-CD2 3.18Å; T355-H372 PolarHBondContact OG1-NE2 3.5Å; T355-H372 VanDerWaalsContact OG1-NE2 3.1Å
356N93.3Very high95.6Very high38 Ų3851.8 Ų51.820%0.20327%0.265CS..Hα-helixtrans-79.1-36179.6-64.8-20.8000112.2Q268 V352 L353 A354 L358 K359 D360Q268-N356 HydrophobicContact CG-CB 4.13Å; V352-N356 PolarHBondContact O-N 3.18Å; V352-N356 VanDerWaalsContact O-N 3.09Å; L353-N356 PolarHBondContact O-N 3.34Å; A354-N356 VanDerWaalsContact C-N 3.28Å; A354-N356 PolarHBondContact O-N 2.95Å; N356-L358 VanDerWaalsContact C-N 3.29Å; N356-L358 PolarHBondContact O-N 2.81Å; N356-K359 WeakPolarHBondContact O-CB 3.49Å; N356-K359 PolarHBondContact O-N 3.2Å; N356-D360 PolarHBondContact O-N 3.39Å
357A94.7Very high95.7Very high0 Ų047.7 Ų47.70%025%0.25CS..Hα-helixtrans-59.9-38.5175.300000112.1M265 Q268 L353 A354 K359 D360 I375M265-A357 HydrophobicContact CG-CB 4.06Å; Q268-A357 HydrophobicContact CG-CB 3.91Å; L353-A357 WeakPolarHBondContact O-CB 3.39Å; L353-A357 PolarHBondContact O-N 3.11Å; A354-A357 PolarHBondContact O-N 3.27Å; A357-K359 PolarHBondContact O-N 2.79Å; A357-D360 WeakPolarHBondContact O-CB 3.31Å; A357-D360 PolarHBondContact O-N 3.2Å; A357-D360 VanDerWaalsContact O-N 3.16Å; A357-I375 HydrophobicContact CB-CG2 4.23Å
358L96Very high95.7Very high71 Ų7145 Ų4537%0.37224%0.238SC..THydrogen-bonded Turntrans-68-16.8174.8-73.1175.2000114.1A354 N356 A370 H372 I375A354-L358 WeakPolarHBondContact O-CG 3.36Å; A354-L358 PolarHBondContact O-N 3.03Å; A354-L358 VanDerWaalsContact O-N 3.09Å; N356-L358 VanDerWaalsContact C-N 3.29Å; N356-L358 PolarHBondContact O-N 2.81Å; L358-A370 WeakPolarHBondContact CD2-O 3.4Å; L358-H372 HydrophobicContact CD1-CB 3.94Å; L358-I375 HydrophobicContact CD2-CG1 3.95Å; L358-I375 HydrophobicContact CG-CG1 4.21Å
359K92Very high95.8Very high152 Ų15243.1 Ų43.166%0.66123%0.229SC*.THydrogen-bonded Turntrans-93.7-12.3174.3-63.2171.2-172.4169.60112.5T355 N356 A357T355-K359 WeakPolarHBondContact O-CG 3.49Å; N356-K359 WeakPolarHBondContact O-CB 3.49Å; N356-K359 PolarHBondContact O-N 3.2Å; A357-K359 PolarHBondContact O-N 2.79Å
360D90.8Very high95.8Very high19 Ų1942.4 Ų42.410%0.10223%0.228CC..SBendtrans-70.7134.5-178.3-167.2-66.8000110.6A264 H267 Q268 N356 A357 C362 G363A264-D360 HydrophobicContact CB-CB 3.87Å; H267-D360 WeakPolarHBondContact CB-OD2 3.19Å; H267-D360 IonicContact CE1-OD2 3.06Å; H267-D360 IonicContact CG-OD2 3.28Å; H267-D360 IonicContact ND1-OD1 3.49Å; H267-D360 IonicContact ND1-OD2 3.51Å; H267-D360 PolarHBondContact ND1-OD2 3.39Å; Q268-D360 PolarHBondContact NE2-OD2 2.84Å; N356-D360 PolarHBondContact O-N 3.39Å; A357-D360 WeakPolarHBondContact O-CB 3.31Å; A357-D360 PolarHBondContact O-N 3.2Å; A357-D360 VanDerWaalsContact O-N 3.16Å; D360-C362 PolarHBondContact O-N 3.45Å; D360-C362 WeakPolarHBondContact OD1-CB 3.37Å; D360-C362 PolarHBondContact OD1-N 3.46Å; D360-G363 PolarHBondContact O-N 3.16Å
361T89.6Confident95.9Very high73 Ų7345.7 Ų45.745%0.44825%0.248SC..G310 helixtrans-61.1-27.6-176.849.60000113.5G363 F364T361-G363 PolarHBondContact O-N 3Å; T361-F364 WeakPolarHBondContact O-CB 3.46Å; T361-F364 PolarHBondContact O-N 3.07Å
362C93.6Very high95.9Very high12 Ų1245.5 Ų45.58%0.08124%0.237CC..G310 helixtrans-64.7-30.4176.6-66.80000112.1L259 G260 H263 A264 D360 F364 T365L259-C362 CarbonylContact C-O 3.57Å; L259-C362 HydrophobicContact CB-CB 4.19Å; G260-C362 WeakPolarHBondContact CA-O 3.49Å; H263-C362 HydrophobicContact CB-CB 4.14Å; A264-C362 HydrophobicContact CB-CB 4.27Å; D360-C362 PolarHBondContact O-N 3.45Å; D360-C362 WeakPolarHBondContact OD1-CB 3.37Å; D360-C362 PolarHBondContact OD1-N 3.46Å; C362-F364 PolarHBondContact O-N 2.96Å; C362-T365 PolarHBondContact O-N 2.95Å; C362-T365 PolarHBondContact O-OG1 3.3Å
363G94.9Very high96Very high3 Ų349 Ų493%0.03125%0.25CS..G310 helixtrans-67.9-23.5-178.900000113.8Y261 D360 T361 T365 N366 Q369Y261-G363 VanDerWaalsContact CE1-CA 3.5Å; D360-G363 PolarHBondContact O-N 3.16Å; T361-G363 PolarHBondContact O-N 3Å; G363-T365 VanDerWaalsContact C-N 3.25Å; G363-T365 PolarHBondContact O-N 3.45Å; G363-N366 WeakPolarHBondContact O-CB 3.45Å; G363-N366 PolarHBondContact O-N 3.17Å; G363-Q369 PolarHBondContact O-NE2 3.42Å
364F95.5Very high96.1Very high157 Ų15751.9 Ų51.969%0.68926%0.263SS*.G310 helixtrans-62.1-33.3-179.7-175.3-100.3000112.7I206 T361 C362I206-F364 WeakPolarHBondContact CD1-O 3.3Å; T361-F364 WeakPolarHBondContact O-CB 3.46Å; T361-F364 PolarHBondContact O-N 3.07Å; C362-F364 PolarHBondContact O-N 2.96Å
365T97.3Very high96.2Very high13 Ų1351.9 Ų51.98%0.0826%0.263CS..G310 helixtrans-94.23-177.746.60000114.2S205 I206 A207 S258 L259 C362 G363S205-T365 WeakPolarHBondContact CA-O 3.31Å; S205-T365 WeakPolarHBondContact OG-CB 3.38Å; S205-T365 PolarHBondContact OG-O 3.42Å; I206-T365 HydrophobicContact CG1-CG2 4.39Å; I206-T365 PolarHBondContact N-O 3.29Å; A207-T365 HydrophobicContact CB-CG2 4.09Å; S258-T365 WeakPolarHBondContact CB-OG1 3.47Å; S258-T365 PolarHBondContact OG-OG1 3.02Å; L259-T365 PolarHBondContact O-OG1 2.96Å; C362-T365 PolarHBondContact O-N 2.95Å; C362-T365 PolarHBondContact O-OG1 3.3Å; G363-T365 VanDerWaalsContact C-N 3.25Å; G363-T365 PolarHBondContact O-N 3.45Å
366N98.8Very high96.3Very high2 Ų250.1 Ų50.11%0.01125%0.252CS..SBendtrans-63.4137.8176.7-164.678.8000110.9Y261 N292 G363 I368 Q369Y261-N366 HydrophobicContact CD1-CB 4.1Å; Y261-N366 HydrophobicContact CD2-CB 3.94Å; Y261-N366 WeakPolarHBondContact CD2-ND2 3.3Å; Y261-N366 HydrophobicContact CE1-CB 4.16Å; Y261-N366 HydrophobicContact CE2-CB 4Å; Y261-N366 WeakPolarHBondContact CE2-ND2 3.43Å; Y261-N366 HydrophobicContact CG-CB 3.97Å; Y261-N366 PolarHBondContact N-OD1 3.1Å; N292-N366 PolarHBondContact ND2-OD1 3.34Å; N292-N366 VanDerWaalsContact ND2-OD1 3.09Å; N292-N366 PolarHBondContact OD1-ND2 2.96Å; N292-N366 PolarHBondContact OD1-OD1 3.49Å; G363-N366 WeakPolarHBondContact O-CB 3.45Å; G363-N366 PolarHBondContact O-N 3.17Å; N366-I368 PolarHBondContact ND2-N 3.06Å; N366-I368 PolarHBondContact ND2-O 2.95Å; N366-I368 PolarHBondContact O-N 3.37Å; N366-I368 VanDerWaalsContact O-N 3.08Å; N366-Q369 PolarHBondContact O-NE2 3.29Å
367P98.6Very high96.5Very high22 Ų2250.6 Ų50.614%0.14326%0.262CS..SBendtrans-58-25.8-174.618.8-33.6000115.3V204 N292 A296V204-P367 HydrophobicContact CB-CG 4.21Å; V204-P367 HydrophobicContact CG2-CG 4.05Å; V204-P367 WeakPolarHBondContact O-CB 3.42Å; V204-P367 WeakPolarHBondContact O-CD 3.32Å; N292-P367 HydrophobicContact CB-CG 3.92Å; A296-P367 HydrophobicContact CB-CB 4.21Å; A296-P367 HydrophobicContact CB-CG 4.18Å
368I98.5Very high96.7Very high40 Ų4051.1 Ų51.121%0.20527%0.265CS..SBendtrans-136.4130.9175.7173.9163.9000108.9Y261 F291 K294 V295 N366Y261-I368 VanDerWaalsContact CE2-O 3.24Å; Y261-I368 WeakPolarHBondContact CE2-O 3.25Å; F291-I368 HydrophobicContact CD1-CG2 3.86Å; F291-I368 HydrophobicContact CE1-CB 4.34Å; F291-I368 HydrophobicContact CE1-CG1 4.22Å; F291-I368 HydrophobicContact CE1-CG2 3.48Å; F291-I368 VanDerWaalsContact CE1-CG2 3.48Å; F291-I368 HydrophobicContact CZ-CD1 4.38Å; F291-I368 HydrophobicContact CZ-CG1 4.13Å; F291-I368 HydrophobicContact CZ-CG2 4.18Å; K294-I368 HydrophobicContact CB-CD1 4.34Å; K294-I368 HydrophobicContact CD-CD1 4.26Å; V295-I368 HydrophobicContact CB-CB 4.33Å; V295-I368 HydrophobicContact CG2-CB 3.89Å; V295-I368 HydrophobicContact CG2-CD1 3.88Å; V295-I368 HydrophobicContact CG2-CG1 4.34Å; V295-I368 HydrophobicContact CG2-CG2 4.47Å; N366-I368 PolarHBondContact ND2-N 3.06Å; N366-I368 PolarHBondContact ND2-O 2.95Å; N366-I368 PolarHBondContact O-N 3.37Å; N366-I368 VanDerWaalsContact O-N 3.08Å
369Q98.5Very high96.9Very high105 Ų10547.8 Ų47.849%0.49125%0.247SC..PPolyproline II helixtrans-79.9131.9177.8-65.5-61.5-58.400110.4Y261 G363 N366Y261-Q369 VanDerWaalsContact OH-CA 3.29Å; Y261-Q369 WeakPolarHBondContact OH-CA 3.4Å; Y261-Q369 PolarHBondContact OH-OE1 2.88Å; G363-Q369 PolarHBondContact O-NE2 3.42Å; N366-Q369 PolarHBondContact O-NE2 3.29Å
370A98.2Very high97.2Very high13 Ų1346.3 Ų46.311%0.10724%0.237CC..PPolyproline II helixtrans-97.3149.3-178.600000111.3Y261 F291 L358 E374 I375Y261-A370 HydrophobicContact CD2-CB 4.14Å; Y261-A370 HydrophobicContact CE2-CB 3.38Å; Y261-A370 PolarHBondContact OH-N 3.49Å; F291-A370 HydrophobicContact CE1-CB 3.86Å; F291-A370 HydrophobicContact CE2-CB 4.37Å; F291-A370 HydrophobicContact CZ-CB 3.58Å; L358-A370 WeakPolarHBondContact CD2-O 3.4Å; A370-E374 HydrophobicContact CB-CB 4.06Å; A370-I375 HydrophobicContact CB-CD1 3.67Å; A370-I375 HydrophobicContact CB-CG1 3.88Å
371T98.6Very high97.5Very high70 Ų7048.4 Ų48.443%0.42926%0.257SS..PPolyproline II helixtrans-75.1166162.657.20000111.1E373 E374 I375T371-E373 VanDerWaalsContact C-N 3.29Å; T371-E373 PolarHBondContact O-N 3.06Å; T371-E374 PolarHBondContact N-OE2 3.19Å; T371-E374 PolarHBondContact O-N 3.22Å; T371-E374 WeakPolarHBondContact OG1-CB 3.39Å; T371-E374 WeakPolarHBondContact OG1-CG 3.44Å; T371-E374 PolarHBondContact OG1-N 3.5Å; T371-E374 PolarHBondContact OG1-OE2 3.43Å; T371-I375 PolarHBondContact O-N 3.45Å; T371-I375 VanDerWaalsContact O-N 3.11Å
372H98.5Very high97.9Very high51 Ų5145 Ų4524%0.23624%0.236CC..Hα-helixtrans-58.5-44.9175.2-179.7-84.8000111.1A351 T355 L358 E374 I375 V376A351-H372 PolarHBondContact O-NE2 3.46Å; T355-H372 PolarHBondContact OG1-CD2 3.18Å; T355-H372 PolarHBondContact OG1-NE2 3.5Å; T355-H372 VanDerWaalsContact OG1-NE2 3.1Å; L358-H372 HydrophobicContact CD1-CB 3.94Å; H372-E374 VanDerWaalsContact C-N 3.28Å; H372-E374 PolarHBondContact O-N 2.89Å; H372-I375 PolarHBondContact O-N 2.88Å; H372-V376 WeakPolarHBondContact O-CG2 3.45Å; H372-V376 PolarHBondContact O-N 2.87Å
373E98.7Very high98Very high134 Ų13447.2 Ų47.263%0.62625%0.246SC*.Hα-helixtrans-61.8-36179.2-65.774.8-166.300112T371 A377T371-E373 VanDerWaalsContact C-N 3.29Å; T371-E373 PolarHBondContact O-N 3.06Å; E373-A377 WeakPolarHBondContact O-CB 3.18Å; E373-A377 PolarHBondContact O-N 3.23Å
374E98.7Very high98.1Very high59 Ų5949.5 Ų49.528%0.27626%0.257SS..Hα-helixtrans-69.3-41.6175.6-75.9170.3130.100112.2F291 K294 A370 T371 H372 A377 I378F291-E374 HydrophobicContact CE2-CB 4.07Å; F291-E374 HydrophobicContact CE2-CG 4.15Å; F291-E374 WeakPolarHBondContact CE2-OE1 3.48Å; K294-E374 IonicContact NZ-OE1 3.48Å; K294-E374 PolarHBondContact NZ-OE1 3.23Å; A370-E374 HydrophobicContact CB-CB 4.06Å; T371-E374 PolarHBondContact N-OE2 3.19Å; T371-E374 PolarHBondContact O-N 3.22Å; T371-E374 WeakPolarHBondContact OG1-CB 3.39Å; T371-E374 WeakPolarHBondContact OG1-CG 3.44Å; T371-E374 PolarHBondContact OG1-N 3.5Å; T371-E374 PolarHBondContact OG1-OE2 3.43Å; H372-E374 VanDerWaalsContact C-N 3.28Å; H372-E374 PolarHBondContact O-N 2.89Å; E374-A377 WeakPolarHBondContact O-CB 3.36Å; E374-A377 PolarHBondContact O-N 3.28Å; E374-I378 VanDerWaalsContact O-CG1 3.31Å; E374-I378 WeakPolarHBondContact O-CG1 3.41Å; E374-I378 PolarHBondContact O-N 2.93Å
375I98.7Very high98.3Very high0 Ų043.8 Ų43.80%024%0.235CC..Hα-helixtrans-62.9-42.9174.1-62.2-63.7000110.8Y261 M265 A354 A357 L358 A370 T371 H372 A377 I378 Y379Y261-I375 HydrophobicContact CD1-CD1 4.24Å; Y261-I375 HydrophobicContact CD2-CD1 3.96Å; Y261-I375 HydrophobicContact CE1-CD1 4.45Å; Y261-I375 HydrophobicContact CE2-CD1 4.18Å; Y261-I375 HydrophobicContact CG-CD1 4.01Å; M265-I375 HydrophobicContact CE-CG2 4.08Å; M265-I375 HydrophobicContact CG-CG2 4.06Å; M265-I375 HydrophobicContact SD-CD1 4.25Å; M265-I375 HydrophobicContact SD-CG2 4.16Å; A354-I375 HydrophobicContact CB-CB 3.91Å; A354-I375 HydrophobicContact CB-CG2 3.59Å; A357-I375 HydrophobicContact CB-CG2 4.23Å; L358-I375 HydrophobicContact CD2-CG1 3.95Å; L358-I375 HydrophobicContact CG-CG1 4.21Å; A370-I375 HydrophobicContact CB-CD1 3.67Å; A370-I375 HydrophobicContact CB-CG1 3.88Å; T371-I375 PolarHBondContact O-N 3.45Å; T371-I375 VanDerWaalsContact O-N 3.11Å; H372-I375 PolarHBondContact O-N 2.88Å; I375-A377 VanDerWaalsContact C-N 3.3Å; I375-A377 PolarHBondContact O-N 3.23Å; I375-I378 HydrophobicContact CD1-CD1 4.37Å; I375-I378 PolarHBondContact O-N 3.37Å; I375-Y379 HydrophobicContact CG2-CD2 4.05Å; I375-Y379 HydrophobicContact CG2-CE2 3.82Å; I375-Y379 WeakPolarHBondContact O-CD2 3.35Å; I375-Y379 PolarHBondContact O-N 3.26Å
376V98.7Very high98.3Very high18 Ų1845.5 Ų45.511%0.10924%0.243CC..Hα-helixtrans-59.3-41.8173.5171.60000111.1F350 A354 H372 I378 Y379 R380F350-V376 HydrophobicContact CB-CG1 4.19Å; A354-V376 HydrophobicContact CB-CG2 3.57Å; H372-V376 WeakPolarHBondContact O-CG2 3.45Å; H372-V376 PolarHBondContact O-N 2.87Å; V376-I378 VanDerWaalsContact C-N 3.33Å; V376-I378 PolarHBondContact O-N 2.88Å; V376-Y379 PolarHBondContact O-N 2.98Å; V376-R380 PolarHBondContact O-N 3.34Å
377A98.7Very high98.3Very high49 Ų4948.1 Ų48.141%0.40526%0.257SS..Hα-helixtrans-64.5-36.3177.300000112.3E373 E374 I375 R380 A381E373-A377 WeakPolarHBondContact O-CB 3.18Å; E373-A377 PolarHBondContact O-N 3.23Å; E374-A377 WeakPolarHBondContact O-CB 3.36Å; E374-A377 PolarHBondContact O-N 3.28Å; I375-A377 VanDerWaalsContact C-N 3.3Å; I375-A377 PolarHBondContact O-N 3.23Å; A377-R380 PolarHBondContact O-N 2.89Å; A377-A381 WeakPolarHBondContact O-CB 3.29Å; A377-A381 PolarHBondContact O-N 3.12Å
378I98.7Very high98.3Very high11 Ų1149.7 Ų49.76%0.05626%0.264CS..Hα-helixtrans-66.1-45174.7-62.9164.4000110.6M265 H287 V288 F291 E374 I375 V376 R380 A381 A382M265-I378 HydrophobicContact CE-CB 3.86Å; M265-I378 HydrophobicContact CE-CG2 3.63Å; M265-I378 HydrophobicContact SD-CB 4.28Å; M265-I378 HydrophobicContact SD-CG2 3.89Å; H287-I378 HydrophobicContact CB-CG2 3.99Å; V288-I378 HydrophobicContact CG2-CG2 3.85Å; F291-I378 HydrophobicContact CB-CD1 3.84Å; F291-I378 HydrophobicContact CB-CG1 4.32Å; F291-I378 HydrophobicContact CD1-CD1 4.25Å; F291-I378 HydrophobicContact CD2-CD1 4.25Å; F291-I378 HydrophobicContact CG-CD1 3.87Å; E374-I378 VanDerWaalsContact O-CG1 3.31Å; E374-I378 WeakPolarHBondContact O-CG1 3.41Å; E374-I378 PolarHBondContact O-N 2.93Å; I375-I378 HydrophobicContact CD1-CD1 4.37Å; I375-I378 PolarHBondContact O-N 3.37Å; V376-I378 VanDerWaalsContact C-N 3.33Å; V376-I378 PolarHBondContact O-N 2.88Å; I378-R380 VanDerWaalsContact C-N 3.32Å; I378-R380 PolarHBondContact O-N 3.37Å; I378-A381 PolarHBondContact O-N 3.44Å; I378-A382 PolarHBondContact O-N 3.34Å; I378-A382 VanDerWaalsContact O-N 3.1Å
379Y98.6Very high98.3Very high0 Ų050.3 Ų50.30%027%0.268CS..Hα-helixtrans-57.7-44.7173.8-81.3-58.7000111.9M265 L269 L284 L340 F350 L353 I375 V376 A381 A382 M383M265-Y379 VanDerWaalsContact CA-OH 3.24Å; M265-Y379 WeakPolarHBondContact CA-OH 3.48Å; M265-Y379 HydrophobicContact CB-CE1 4.09Å; M265-Y379 WeakPolarHBondContact CB-OH 3.32Å; M265-Y379 HydrophobicContact CE-CD1 3.56Å; M265-Y379 HydrophobicContact CE-CD2 3.6Å; M265-Y379 HydrophobicContact CE-CE1 3.58Å; M265-Y379 HydrophobicContact CE-CE2 3.63Å; M265-Y379 HydrophobicContact CE-CG 3.56Å; M265-Y379 HydrophobicContact CG-CE2 4.31Å; M265-Y379 PolarHBondContact O-OH 2.95Å; L269-Y379 HydrophobicContact CD1-CE1 4.27Å; L269-Y379 HydrophobicContact CD2-CE1 4.02Å; L269-Y379 HydrophobicContact CG-CE1 4.15Å; L284-Y379 HydrophobicContact CD1-CE1 4.44Å; L284-Y379 HydrophobicContact CD2-CD1 4.17Å; L284-Y379 HydrophobicContact CD2-CE1 4.28Å; L340-Y379 HydrophobicContact CD1-CD1 3.74Å; F350-Y379 HydrophobicContact CD1-CG 4.22Å; F350-Y379 HydrophobicContact CE1-CG 4.39Å; F350-Y379 HydrophobicContact CG-CG 4.46Å; L353-Y379 HydrophobicContact CB-CD2 4.45Å; L353-Y379 HydrophobicContact CB-CE2 3.68Å; I375-Y379 HydrophobicContact CG2-CD2 4.05Å; I375-Y379 HydrophobicContact CG2-CE2 3.82Å; I375-Y379 WeakPolarHBondContact O-CD2 3.35Å; I375-Y379 PolarHBondContact O-N 3.26Å; V376-Y379 PolarHBondContact O-N 2.98Å; Y379-A381 VanDerWaalsContact C-N 3.33Å; Y379-A381 PolarHBondContact O-N 2.68Å; Y379-A382 PolarHBondContact O-N 3.06Å; Y379-A382 VanDerWaalsContact O-N 3.12Å; Y379-M383 PolarHBondContact O-N 2.83Å
380R98.3Very high98.3Very high121 Ų12146.4 Ų46.446%0.45725%0.252SS..Hα-helixtrans-63.7-37176.8-171.7179-68.1108.14.9112.8E347 F350 V376 A377 I378 A382 M383E347-R380 IonicContact OE1-CZ 3.95Å; E347-R380 IonicContact OE1-NE 2.67Å; E347-R380 PolarHBondContact OE1-NE 2.88Å; E347-R380 IonicContact OE1-NH2 2.74Å; E347-R380 PolarHBondContact OE1-NH2 3.49Å; F350-R380 HydrophobicContact CD2-CB 4.43Å; F350-R380 HydrophobicContact CE2-CB 4.02Å; V376-R380 PolarHBondContact O-N 3.34Å; A377-R380 PolarHBondContact O-N 2.89Å; I378-R380 VanDerWaalsContact C-N 3.32Å; I378-R380 PolarHBondContact O-N 3.37Å; R380-A382 PolarHBondContact O-N 2.97Å; R380-M383 PolarHBondContact O-N 3.36Å
381A98.2Very high98.3Very high63 Ų6349 Ų4952%0.52126%0.263SS..Hα-helixtrans-68.1-22.4176.100000112.9H287 A377 I378 Y379H287-A381 PolarHBondContact CE1-O 3.21Å; H287-A381 PolarHBondContact ND1-O 2.85Å; H287-A381 VanDerWaalsContact ND1-O 3.1Å; A377-A381 WeakPolarHBondContact O-CB 3.29Å; A377-A381 PolarHBondContact O-N 3.12Å; I378-A381 PolarHBondContact O-N 3.44Å; Y379-A381 VanDerWaalsContact C-N 3.33Å; Y379-A381 PolarHBondContact O-N 2.68Å
382A97.9Very high98.2Very high1 Ų147.3 Ų47.31%0.00825%0.249CC..THydrogen-bonded Turntrans-93.95.6178.600000113.8L284 H287 G339 L340 I378 Y379 R380L284-A382 HydrophobicContact CD2-CB 3.97Å; H287-A382 HydrophobicContact CB-CB 4.45Å; G339-A382 CarbonylContact C-O 3.6Å; G339-A382 VanDerWaalsContact CA-O 3.25Å; G339-A382 WeakPolarHBondContact CA-O 3.21Å; L340-A382 HydrophobicContact CD1-CB 3.83Å; L340-A382 HydrophobicContact CG-CB 4Å; L340-A382 WeakPolarHBondContact CG-O 3.43Å; L340-A382 PolarHBondContact N-O 3.27Å; I378-A382 PolarHBondContact O-N 3.34Å; I378-A382 VanDerWaalsContact O-N 3.1Å; Y379-A382 PolarHBondContact O-N 3.06Å; Y379-A382 VanDerWaalsContact O-N 3.12Å; R380-A382 PolarHBondContact O-N 2.97Å
383M95.3Very high98.2Very high60 Ų6046.9 Ų46.930%0.29625%0.25SS..  trans-69.60-178.1-88.3-60.7-68.700115.1L340 R341 F350 Y379 R380L340-M383 HydrophobicContact CB-SD 3.9Å; R341-M383 HydrophobicContact CB-CE 3.92Å; R341-M383 WeakPolarHBondContact CB-OXT 3.3Å; R341-M383 HydrophobicContact CG-CE 4.47Å; R341-M383 PolarHBondContact N-OXT 2.97Å; F350-M383 HydrophobicContact CE1-SD 4.32Å; F350-M383 HydrophobicContact CE2-CG 3.97Å; F350-M383 HydrophobicContact CZ-CG 3.53Å; F350-M383 HydrophobicContact CZ-SD 3.6Å; Y379-M383 PolarHBondContact O-N 2.83Å; R380-M383 PolarHBondContact O-N 3.36Å

Retrieved 383 of 383 residues in 352.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).