A0A077ZF15_TRITR Loading...

Alanine--tRNA ligase

Catalyzes the attachment of alanine to tRNA(Ala) in a two-step reaction: alanine is first activated by ATP to form Ala-AMP and then transferred to the acceptor end of tRNA(Ala). Also edits incorrectly charged tRNA(Ala) via its editing domain.

AlphaFold DB , UniProt , Accession A0A077ZF15, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 942 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M92.5Very high96.4Very high87 Ų8758.8 Ų58.843%0.42927%0.271SS..  0132.50-173.7179-70.500107.2E5 V6 K9 F123 I245 Q246M1-E5 VanDerWaalsContact CA-OE2 3.29Å; M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CG-CB 3.36Å; M1-E5 HydrophobicContact CG-CG 4.37Å; M1-E5 VanDerWaalsContact CG-OE2 3.26Å; M1-E5 WeakPolarHBondContact CG-OE2 3.31Å; M1-E5 HydrophobicContact SD-CB 4.06Å; M1-V6 HydrophobicContact CB-CG2 4.12Å; M1-V6 HydrophobicContact CG-CG2 3.74Å; M1-V6 HydrophobicContact SD-CB 4.22Å; M1-V6 HydrophobicContact SD-CG2 3.58Å; M1-V6 VanDerWaalsContact SD-CG2 3.58Å; M1-K9 HydrophobicContact CE-CD 3.75Å; M1-K9 HydrophobicContact SD-CD 4.28Å; M1-F123 HydrophobicContact SD-CD1 4.4Å; M1-F123 HydrophobicContact SD-CE1 4.17Å; M1-I245 HydrophobicContact CB-CG2 3.79Å; M1-Q246 PolarHBondContact O-NE2 3.07Å
2K94.8Very high96.5Very high138 Ų13857.6 Ų57.660%0.627%0.268SS*.  trans-71157.6175.6-71.4-171.6178.2-176.40110.7E4 E5 V6 D255K2-E4 VanDerWaalsContact C-N 3.28Å; K2-E4 PolarHBondContact O-N 3.04Å; K2-E5 HydrophobicContact CB-CG 4.35Å; K2-E5 PolarHBondContact N-OE2 3.07Å; K2-E5 WeakPolarHBondContact O-CB 3.23Å; K2-E5 PolarHBondContact O-N 3.22Å; K2-E5 VanDerWaalsContact O-N 3.1Å; K2-V6 WeakPolarHBondContact O-CG2 3.42Å; K2-V6 PolarHBondContact O-N 3.43Å; K2-V6 VanDerWaalsContact O-N 3.08Å; K2-D255 VanDerWaalsContact CA-OD2 3.32Å; K2-D255 WeakPolarHBondContact CA-OD2 3.48Å; K2-D255 VanDerWaalsContact CB-OD2 3.31Å; K2-D255 WeakPolarHBondContact CB-OD2 3.46Å
3A96.4Very high96.6Very high3 Ų354.2 Ų54.23%0.02525%0.252CS..Hα-helixtrans-56.2-41.7-178.500000112.9E5 V6 R7 F238 V242 D255 L256A3-E5 VanDerWaalsContact C-N 3.33Å; A3-E5 PolarHBondContact O-N 3.19Å; A3-V6 WeakPolarHBondContact O-CB 3.46Å; A3-V6 PolarHBondContact O-N 3.21Å; A3-R7 PolarHBondContact O-N 3.4Å; A3-F238 HydrophobicContact CB-CE1 4.22Å; A3-F238 HydrophobicContact CB-CZ 3.74Å; A3-F238 WeakPolarHBondContact O-CE2 3.48Å; A3-F238 VanDerWaalsContact O-CZ 3.25Å; A3-F238 WeakPolarHBondContact O-CZ 3.35Å; A3-V242 HydrophobicContact CB-CG1 3.94Å; A3-V242 HydrophobicContact CB-CG2 3.95Å; A3-D255 WeakPolarHBondContact CB-OD1 3.47Å; A3-D255 PolarHBondContact N-OD1 3Å; A3-D255 PolarHBondContact N-OD2 3.44Å; A3-L256 HydrophobicContact CB-CD1 4.15Å; A3-L256 HydrophobicContact CB-CD2 3.54Å; A3-L256 HydrophobicContact CB-CG 3.68Å
4E95.3Very high96.7Very high113 Ų11350.3 Ų50.353%0.52823%0.234SC..Hα-helixtrans-59.6-40.9177.4-173.3176.1-166.700112.9K2 R7 Q8K2-E4 VanDerWaalsContact C-N 3.28Å; K2-E4 PolarHBondContact O-N 3.04Å; E4-R7 PolarHBondContact O-N 2.8Å; E4-Q8 PolarHBondContact O-N 2.87Å
5E96.7Very high96.8Very high106 Ų10649.3 Ų49.350%0.49524%0.235SC..Hα-helixtrans-67.5-38.8176.6-63.4170.7159.400111.4M1 K2 A3 Q8 K9M1-E5 VanDerWaalsContact CA-OE2 3.29Å; M1-E5 WeakPolarHBondContact CA-OE2 3.43Å; M1-E5 HydrophobicContact CG-CB 3.36Å; M1-E5 HydrophobicContact CG-CG 4.37Å; M1-E5 VanDerWaalsContact CG-OE2 3.26Å; M1-E5 WeakPolarHBondContact CG-OE2 3.31Å; M1-E5 HydrophobicContact SD-CB 4.06Å; K2-E5 HydrophobicContact CB-CG 4.35Å; K2-E5 PolarHBondContact N-OE2 3.07Å; K2-E5 WeakPolarHBondContact O-CB 3.23Å; K2-E5 PolarHBondContact O-N 3.22Å; K2-E5 VanDerWaalsContact O-N 3.1Å; A3-E5 VanDerWaalsContact C-N 3.33Å; A3-E5 PolarHBondContact O-N 3.19Å; E5-Q8 PolarHBondContact O-N 3.46Å; E5-K9 VanDerWaalsContact O-CB 3.25Å; E5-K9 WeakPolarHBondContact O-CB 3.35Å; E5-K9 PolarHBondContact O-N 3.48Å
6V97.5Very high96.8Very high0 Ų055.8 Ų55.80%026%0.262CS..Hα-helixtrans-59.9-48.3175.3175.10000110M1 K2 A3 K9 F10 F123 F238 L241 V242 I245M1-V6 HydrophobicContact CB-CG2 4.12Å; M1-V6 HydrophobicContact CG-CG2 3.74Å; M1-V6 HydrophobicContact SD-CB 4.22Å; M1-V6 HydrophobicContact SD-CG2 3.58Å; M1-V6 VanDerWaalsContact SD-CG2 3.58Å; K2-V6 WeakPolarHBondContact O-CG2 3.42Å; K2-V6 PolarHBondContact O-N 3.43Å; K2-V6 VanDerWaalsContact O-N 3.08Å; A3-V6 WeakPolarHBondContact O-CB 3.46Å; A3-V6 PolarHBondContact O-N 3.21Å; V6-K9 PolarHBondContact O-N 3.43Å; V6-F10 PolarHBondContact O-N 3.36Å; V6-F10 VanDerWaalsContact O-N 3.09Å; V6-F123 HydrophobicContact CB-CE1 4.48Å; V6-F123 HydrophobicContact CG1-CE1 3.97Å; V6-F123 HydrophobicContact CG1-CZ 3.99Å; V6-F238 HydrophobicContact CB-CE2 4.26Å; V6-F238 HydrophobicContact CG1-CE2 4.19Å; V6-L241 HydrophobicContact CG1-CD2 3.64Å; V6-L241 HydrophobicContact CG1-CG 4.16Å; V6-V242 HydrophobicContact CB-CG2 4.18Å; V6-V242 HydrophobicContact CG1-CG2 4.13Å; V6-V242 HydrophobicContact CG2-CG2 4.32Å; V6-I245 HydrophobicContact CB-CD1 4.42Å; V6-I245 HydrophobicContact CG1-CD1 3.78Å; V6-I245 HydrophobicContact CG2-CB 4.48Å; V6-I245 HydrophobicContact CG2-CD1 3.72Å; V6-I245 HydrophobicContact CG2-CG2 4.11Å
7R97.3Very high96.7Very high10 Ų1059.4 Ų59.44%0.03828%0.276CS..Hα-helixtrans-59.9-51.8177.9-170.9-172.6-62.7107.3-1.9111.1A3 E4 K9 F10 L11 T69 E96 L98 F238 T354A3-R7 PolarHBondContact O-N 3.4Å; E4-R7 PolarHBondContact O-N 2.8Å; R7-K9 VanDerWaalsContact C-N 3.28Å; R7-K9 PolarHBondContact O-N 2.76Å; R7-F10 WeakPolarHBondContact O-CB 3.14Å; R7-F10 PolarHBondContact O-N 3.03Å; R7-L11 HydrophobicContact CG-CD1 4.34Å; R7-L11 WeakPolarHBondContact O-CG 3.2Å; R7-L11 PolarHBondContact O-N 3.16Å; R7-T69 HydrophobicContact CG-CG2 4.3Å; R7-E96 IonicContact CZ-OE1 2.82Å; R7-E96 IonicContact CZ-OE2 2.99Å; R7-E96 IonicContact NE-OE1 2.72Å; R7-E96 IonicContact NE-OE2 2.81Å; R7-E96 PolarHBondContact NE-OE2 3.49Å; R7-E96 IonicContact NH2-OE1 3.12Å; R7-E96 PolarHBondContact NH2-OE1 3Å; R7-E96 IonicContact NH2-OE2 3.03Å; R7-E96 PolarHBondContact NH2-OE2 2.9Å; R7-L98 HydrophobicContact CG-CD2 4.12Å; R7-F238 HydrophobicContact CB-CE2 3.73Å; R7-F238 HydrophobicContact CB-CZ 4.03Å; R7-F238 HydrophobicContact CG-CE2 4.49Å; R7-F238 VanDerWaalsContact NH2-CZ 3.32Å; R7-T354 PolarHBondContact NH1-OG1 3.07Å
8Q96.7Very high96.7Very high99 Ų9957.8 Ų57.846%0.46327%0.268SS..Hα-helixtrans-62.1-38-178.6-170.460.547.100111.7E4 E5 L11 D12E4-Q8 PolarHBondContact O-N 2.87Å; E5-Q8 PolarHBondContact O-N 3.46Å; Q8-L11 PolarHBondContact O-N 2.99Å; Q8-D12 PolarHBondContact NE2-OD1 3.22Å; Q8-D12 VanDerWaalsContact O-CB 3.23Å; Q8-D12 WeakPolarHBondContact O-CB 3.47Å; Q8-D12 PolarHBondContact O-N 3.21Å
9K97.4Very high96.6Very high78 Ų7857.7 Ų57.734%0.33928%0.284SS..Hα-helixtrans-65.1-39.8178-165169.9-167.2176.80112.3M1 E5 V6 R7 F13 C122 F123M1-K9 HydrophobicContact CE-CD 3.75Å; M1-K9 HydrophobicContact SD-CD 4.28Å; E5-K9 VanDerWaalsContact O-CB 3.25Å; E5-K9 WeakPolarHBondContact O-CB 3.35Å; E5-K9 PolarHBondContact O-N 3.48Å; V6-K9 PolarHBondContact O-N 3.43Å; R7-K9 VanDerWaalsContact C-N 3.28Å; R7-K9 PolarHBondContact O-N 2.76Å; K9-F13 VanDerWaalsContact O-CB 3.27Å; K9-F13 WeakPolarHBondContact O-CB 3.03Å; K9-F13 PolarHBondContact O-N 3.1Å; K9-C122 WeakPolarHBondContact CE-O 3.47Å; K9-C122 PolarHBondContact NZ-O 3.43Å; K9-F123 HydrophobicContact CB-CE1 4.03Å; K9-F123 HydrophobicContact CB-CZ 4.36Å; K9-F123 HydrophobicContact CD-CD1 4.17Å; K9-F123 HydrophobicContact CD-CE1 3.9Å; K9-F123 HydrophobicContact CG-CE1 4.18Å
10F98.1Very high96.7Very high0 Ų055.1 Ų55.10%027%0.271CS..Hα-helixtrans-61-50.4172.6176.7-85.2000111.4V6 R7 D12 F13 F14 V67 L98 L118 F123 W212 L236V6-F10 PolarHBondContact O-N 3.36Å; V6-F10 VanDerWaalsContact O-N 3.09Å; R7-F10 WeakPolarHBondContact O-CB 3.14Å; R7-F10 PolarHBondContact O-N 3.03Å; F10-D12 PolarHBondContact O-N 3.32Å; F10-F13 PolarHBondContact O-N 3.21Å; F10-F14 HydrophobicContact CD1-CD2 4.38Å; F10-F14 HydrophobicContact CD2-CD2 4.41Å; F10-F14 HydrophobicContact CD2-CE2 4.07Å; F10-F14 HydrophobicContact CE1-CD2 4.05Å; F10-F14 HydrophobicContact CE1-CE2 4.28Å; F10-F14 HydrophobicContact CE2-CD2 4.07Å; F10-F14 AromaticContact CE2-CE2 3.52Å; F10-F14 HydrophobicContact CE2-CE2 3.52Å; F10-F14 AromaticContact CZ-CD2 3.86Å; F10-F14 HydrophobicContact CZ-CD2 3.86Å; F10-F14 AromaticContact CZ-CE2 3.63Å; F10-F14 HydrophobicContact CZ-CE2 3.63Å; F10-F14 PolarHBondContact O-N 3.13Å; F10-V67 HydrophobicContact CD1-CG2 3.99Å; F10-V67 HydrophobicContact CE1-CG2 3.47Å; F10-V67 VanDerWaalsContact CE1-CG2 3.47Å; F10-V67 HydrophobicContact CZ-CG2 4.37Å; F10-L98 HydrophobicContact CB-CD1 3.93Å; F10-L98 HydrophobicContact CD1-CB 3.94Å; F10-L98 HydrophobicContact CD1-CD1 4.22Å; F10-L98 HydrophobicContact CD1-CD2 4.32Å; F10-L98 HydrophobicContact CD1-CG 4.38Å; F10-L98 HydrophobicContact CD2-CB 4.1Å; F10-L98 HydrophobicContact CD2-CD1 3.99Å; F10-L98 HydrophobicContact CE1-CB 3.74Å; F10-L98 HydrophobicContact CE2-CB 3.92Å; F10-L98 HydrophobicContact CG-CB 4.15Å; F10-L98 HydrophobicContact CG-CD1 3.8Å; F10-L98 HydrophobicContact CG-CG 4.42Å; F10-L98 HydrophobicContact CZ-CB 3.75Å; F10-L118 HydrophobicContact CD2-CD2 3.59Å; F10-L118 HydrophobicContact CE2-CD2 4.01Å; F10-F123 HydrophobicContact CB-CZ 4.46Å; F10-W212 HydrophobicContact CE2-CH2 4.34Å; F10-W212 HydrophobicContact CE2-CZ2 4.19Å; F10-L236 HydrophobicContact CE2-CB 4.46Å; F10-L236 HydrophobicContact CE2-CD1 4.47Å
11L97.6Very high96.7Very high13 Ų1356.2 Ų56.27%0.06828%0.281CS..Hα-helixtrans-61.5-45.6-179.7-64.2177.7000111.5R7 Q8 S15 Y22 V67R7-L11 HydrophobicContact CG-CD1 4.34Å; R7-L11 WeakPolarHBondContact O-CG 3.2Å; R7-L11 PolarHBondContact O-N 3.16Å; Q8-L11 PolarHBondContact O-N 2.99Å; L11-S15 VanDerWaalsContact O-CB 3.23Å; L11-S15 WeakPolarHBondContact O-CB 3.19Å; L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 3.23Å; L11-Y22 HydrophobicContact CD1-CD2 4.37Å; L11-Y22 HydrophobicContact CD1-CE2 3.91Å; L11-Y22 HydrophobicContact CD2-CD2 4.02Å; L11-Y22 HydrophobicContact CD2-CE2 3.98Å; L11-V67 HydrophobicContact CD2-CG2 4Å
12D97.7Very high96.9Very high44 Ų4457 Ų5724%0.23528%0.28CS..Hα-helixtrans-63.5-40.4178.5-83.5-0.7000112.1Q8 F10 K16Q8-D12 PolarHBondContact NE2-OD1 3.22Å; Q8-D12 VanDerWaalsContact O-CB 3.23Å; Q8-D12 WeakPolarHBondContact O-CB 3.47Å; Q8-D12 PolarHBondContact O-N 3.21Å; F10-D12 PolarHBondContact O-N 3.32Å; D12-K16 HydrophobicContact CB-CD 4.04Å; D12-K16 VanDerWaalsContact CG-CE 3.46Å; D12-K16 WeakPolarHBondContact O-CA 3.19Å; D12-K16 WeakPolarHBondContact O-CB 3.32Å; D12-K16 WeakPolarHBondContact O-CG 3.49Å; D12-K16 PolarHBondContact O-N 2.86Å; D12-K16 WeakPolarHBondContact OD1-CE 3.09Å; D12-K16 IonicContact OD1-NZ 2.68Å; D12-K16 PolarHBondContact OD1-NZ 3.27Å; D12-K16 VanDerWaalsContact OD1-NZ 3.16Å; D12-K16 IonicContact OD2-NZ 2.77Å; D12-K16 PolarHBondContact OD2-NZ 3.03Å
13F98.1Very high96.8Very high13 Ų1354.3 Ų54.36%0.05727%0.266CS..Iπ-helixtrans-57.3-54.1178.6179-100.8000111.1K9 F10 K17 Y18 W114 E117 L118 C122K9-F13 VanDerWaalsContact O-CB 3.27Å; K9-F13 WeakPolarHBondContact O-CB 3.03Å; K9-F13 PolarHBondContact O-N 3.1Å; F10-F13 PolarHBondContact O-N 3.21Å; F13-K17 HydrophobicContact CD2-CD 4.48Å; F13-K17 HydrophobicContact CE2-CD 4.21Å; F13-K17 WeakPolarHBondContact O-CB 3.4Å; F13-K17 PolarHBondContact O-N 3.49Å; F13-K17 VanDerWaalsContact O-N 3.1Å; F13-Y18 HydrophobicContact CD1-CD2 4.36Å; F13-Y18 HydrophobicContact CD1-CE2 4.01Å; F13-Y18 HydrophobicContact CE1-CD2 4.13Å; F13-Y18 AromaticContact CE1-CE2 3.45Å; F13-Y18 HydrophobicContact CE1-CE2 3.45Å; F13-Y18 VanDerWaalsContact CE1-CE2 3.45Å; F13-Y18 HydrophobicContact CE2-CE2 4.03Å; F13-Y18 AromaticContact CZ-CE2 3.47Å; F13-Y18 HydrophobicContact CZ-CE2 3.47Å; F13-Y18 VanDerWaalsContact CZ-CE2 3.47Å; F13-W114 HydrophobicContact CE1-CB 4.26Å; F13-W114 WeakPolarHBondContact CZ-O 3.49Å; F13-E117 WeakPolarHBondContact CE2-OE1 3.49Å; F13-E117 HydrophobicContact CZ-CB 4.21Å; F13-E117 HydrophobicContact CZ-CG 4.49Å; F13-L118 HydrophobicContact CB-CD1 3.8Å; F13-L118 HydrophobicContact CD1-CB 4.06Å; F13-L118 HydrophobicContact CD1-CD1 3.76Å; F13-L118 HydrophobicContact CD1-CD2 4.22Å; F13-L118 HydrophobicContact CD1-CG 4.23Å; F13-L118 HydrophobicContact CD2-CD1 3.93Å; F13-L118 HydrophobicContact CE1-CB 3.65Å; F13-L118 HydrophobicContact CE1-CD1 4.23Å; F13-L118 HydrophobicContact CE1-CD2 4.49Å; F13-L118 HydrophobicContact CE1-CG 4.33Å; F13-L118 HydrophobicContact CE2-CB 4.32Å; F13-L118 HydrophobicContact CE2-CD1 4.38Å; F13-L118 HydrophobicContact CG-CD1 3.58Å; F13-L118 HydrophobicContact CG-CG 4.5Å; F13-L118 HydrophobicContact CZ-CB 3.79Å; F13-C122 VanDerWaalsContact CD2-SG 3.52Å; F13-C122 VanDerWaalsContact CE2-SG 3.52Å
14F98.2Very high96.7Very high0 Ų057.8 Ų57.80%028%0.282CS..Iπ-helixtrans-73.3-39.8-178.6-75.6-73.5000113.6F10 Y18 G19 H20 V67 N100 I111 W114 L118 W212F10-F14 HydrophobicContact CD1-CD2 4.38Å; F10-F14 HydrophobicContact CD2-CD2 4.41Å; F10-F14 HydrophobicContact CD2-CE2 4.07Å; F10-F14 HydrophobicContact CE1-CD2 4.05Å; F10-F14 HydrophobicContact CE1-CE2 4.28Å; F10-F14 HydrophobicContact CE2-CD2 4.07Å; F10-F14 AromaticContact CE2-CE2 3.52Å; F10-F14 HydrophobicContact CE2-CE2 3.52Å; F10-F14 AromaticContact CZ-CD2 3.86Å; F10-F14 HydrophobicContact CZ-CD2 3.86Å; F10-F14 AromaticContact CZ-CE2 3.63Å; F10-F14 HydrophobicContact CZ-CE2 3.63Å; F10-F14 PolarHBondContact O-N 3.13Å; F14-Y18 HydrophobicContact CD1-CD2 4.31Å; F14-Y18 CarbonylContact O-C 3.46Å; F14-Y18 PolarHBondContact O-N 3.24Å; F14-G19 PolarHBondContact O-N 3.18Å; F14-H20 HydrophobicContact CB-CB 4.09Å; F14-H20 AromaticContact CD1-CE1 3.7Å; F14-H20 AromaticContact CD1-ND1 3.93Å; F14-H20 WeakPolarHBondContact O-CB 3.31Å; F14-H20 PolarHBondContact O-N 3.19Å; F14-H20 PolarHBondContact O-ND1 3.2Å; F14-H20 VanDerWaalsContact O-ND1 3.13Å; F14-V67 HydrophobicContact CB-CB 3.83Å; F14-V67 HydrophobicContact CB-CG1 4.11Å; F14-V67 HydrophobicContact CB-CG2 3.71Å; F14-V67 HydrophobicContact CD2-CG2 4.04Å; F14-V67 HydrophobicContact CG-CG2 4.16Å; F14-N100 HydrophobicContact CD1-CB 4.03Å; F14-N100 HydrophobicContact CD2-CB 4.23Å; F14-N100 HydrophobicContact CE1-CB 4.03Å; F14-N100 HydrophobicContact CE2-CB 4.24Å; F14-N100 HydrophobicContact CG-CB 4.12Å; F14-N100 HydrophobicContact CZ-CB 4.13Å; F14-N100 WeakPolarHBondContact CZ-OD1 3.47Å; F14-I111 HydrophobicContact CE1-CD1 4.46Å; F14-W114 HydrophobicContact CE1-CB 4.39Å; F14-W114 HydrophobicContact CE1-CE3 4.1Å; F14-L118 HydrophobicContact CE2-CD2 3.95Å; F14-W212 HydrophobicContact CE2-CH2 4.08Å; F14-W212 HydrophobicContact CE2-CZ2 4.27Å; F14-W212 AromaticContact CZ-CH2 3.81Å; F14-W212 HydrophobicContact CZ-CH2 3.81Å; F14-W212 AromaticContact CZ-CZ2 3.97Å; F14-W212 HydrophobicContact CZ-CZ2 3.97Å
15S97.1Very high96.6Very high35 Ų3552.8 Ų52.825%0.24526%0.26CS..Iπ-helixtrans-72.5-48.6-177.661.90000112.5L11 G19 H20L11-S15 VanDerWaalsContact O-CB 3.23Å; L11-S15 WeakPolarHBondContact O-CB 3.19Å; L11-S15 PolarHBondContact O-N 3.46Å; L11-S15 PolarHBondContact O-OG 3.23Å; S15-G19 WeakPolarHBondContact O-CA 3.49Å; S15-G19 PolarHBondContact O-N 2.87Å; S15-H20 WeakPolarHBondContact CA-O 3.36Å; S15-H20 WeakPolarHBondContact CB-O 3.27Å
16K96.7Very high96.4Very high154 Ų15449.1 Ų49.167%0.6725%0.246SC*.Iπ-helixtrans-82.1-36.8-175.3-57.8177.2179.2167.90112.6D12D12-K16 HydrophobicContact CB-CD 4.04Å; D12-K16 VanDerWaalsContact CG-CE 3.46Å; D12-K16 WeakPolarHBondContact O-CA 3.19Å; D12-K16 WeakPolarHBondContact O-CB 3.32Å; D12-K16 WeakPolarHBondContact O-CG 3.49Å; D12-K16 PolarHBondContact O-N 2.86Å; D12-K16 WeakPolarHBondContact OD1-CE 3.09Å; D12-K16 IonicContact OD1-NZ 2.68Å; D12-K16 PolarHBondContact OD1-NZ 3.27Å; D12-K16 VanDerWaalsContact OD1-NZ 3.16Å; D12-K16 IonicContact OD2-NZ 2.77Å; D12-K16 PolarHBondContact OD2-NZ 3.03Å
17K96.5Very high96.2Very high117 Ų11751.5 Ų51.551%0.50926%0.261SS..Iπ-helixtrans-88.5-39-176.3-166.3170.4173.7165.10113.6F13 E117F13-K17 HydrophobicContact CD2-CD 4.48Å; F13-K17 HydrophobicContact CE2-CD 4.21Å; F13-K17 WeakPolarHBondContact O-CB 3.4Å; F13-K17 PolarHBondContact O-N 3.49Å; F13-K17 VanDerWaalsContact O-N 3.1Å; K17-E117 VanDerWaalsContact NZ-CD 3.26Å; K17-E117 IonicContact NZ-OE1 2.55Å; K17-E117 PolarHBondContact NZ-OE1 3.43Å; K17-E117 IonicContact NZ-OE2 3.54Å; K17-E117 PolarHBondContact NZ-OE2 3Å
18Y95.8Very high95.9Very high31 Ų3151 Ų5112%0.12226%0.259CS..Hα-helixtrans-116.39.2-173.9-56.1-71.7000114.6F13 F14 H20 R65 W114 E117F13-Y18 HydrophobicContact CD1-CD2 4.36Å; F13-Y18 HydrophobicContact CD1-CE2 4.01Å; F13-Y18 HydrophobicContact CE1-CD2 4.13Å; F13-Y18 AromaticContact CE1-CE2 3.45Å; F13-Y18 HydrophobicContact CE1-CE2 3.45Å; F13-Y18 VanDerWaalsContact CE1-CE2 3.45Å; F13-Y18 HydrophobicContact CE2-CE2 4.03Å; F13-Y18 AromaticContact CZ-CE2 3.47Å; F13-Y18 HydrophobicContact CZ-CE2 3.47Å; F13-Y18 VanDerWaalsContact CZ-CE2 3.47Å; F14-Y18 HydrophobicContact CD1-CD2 4.31Å; F14-Y18 CarbonylContact O-C 3.46Å; F14-Y18 PolarHBondContact O-N 3.24Å; Y18-H20 VanDerWaalsContact C-N 3.32Å; Y18-H20 PolarHBondContact O-N 3.04Å; Y18-R65 PolarHBondContact O-NH1 2.91Å; Y18-W114 AromaticContact CD1-CD2 3.9Å; Y18-W114 HydrophobicContact CD1-CD2 3.9Å; Y18-W114 AromaticContact CD1-CE2 3.34Å; Y18-W114 HydrophobicContact CD1-CG 4.35Å; Y18-W114 HydrophobicContact CD1-CH2 4.2Å; Y18-W114 AromaticContact CD1-CZ2 3.51Å; Y18-W114 HydrophobicContact CD1-CZ2 3.51Å; Y18-W114 AromaticContact CD1-NE1 3.56Å; Y18-W114 HydrophobicContact CD2-CD2 4.17Å; Y18-W114 HydrophobicContact CD2-CE3 4.46Å; Y18-W114 HydrophobicContact CD2-CG 4.35Å; Y18-W114 AromaticContact CE1-CD1 3.41Å; Y18-W114 VanDerWaalsContact CE1-CD1 3.41Å; Y18-W114 AromaticContact CE1-CD2 3.94Å; Y18-W114 HydrophobicContact CE1-CD2 3.94Å; Y18-W114 AromaticContact CE1-CE2 3.43Å; Y18-W114 VanDerWaalsContact CE1-CE2 3.43Å; Y18-W114 AromaticContact CE1-CG 3.92Å; Y18-W114 HydrophobicContact CE1-CG 3.92Å; Y18-W114 HydrophobicContact CE1-CZ2 4.03Å; Y18-W114 AromaticContact CE1-NE1 3.1Å; Y18-W114 HydrophobicContact CE2-CB 4.29Å; Y18-W114 HydrophobicContact CE2-CD2 4.22Å; Y18-W114 AromaticContact CE2-CG 3.94Å; Y18-W114 HydrophobicContact CE2-CG 3.94Å; Y18-W114 AromaticContact CG-CD2 3.99Å; Y18-W114 HydrophobicContact CG-CD2 3.99Å; Y18-W114 AromaticContact CG-CE2 3.88Å; Y18-W114 HydrophobicContact CG-CE3 4.26Å; Y18-W114 HydrophobicContact CG-CH2 4.3Å; Y18-W114 HydrophobicContact CG-CZ2 4.03Å; Y18-W114 HydrophobicContact CG-CZ3 4.41Å; Y18-W114 AromaticContact CZ-CD1 3.36Å; Y18-W114 AromaticContact CZ-CG 3.67Å; Y18-W114 AromaticContact CZ-NE1 3.62Å; Y18-E117 PolarHBondContact OH-OE2 2.67Å
19G95.8Very high95.4Very high55 Ų5547.6 Ų47.657%0.56724%0.244SC*.  trans66.928.217300000114.3F14 S15F14-G19 PolarHBondContact O-N 3.18Å; S15-G19 WeakPolarHBondContact O-CA 3.49Å; S15-G19 PolarHBondContact O-N 2.87Å
20H97.5Very high94.5Very high6 Ų644.8 Ų44.83%0.02823%0.233CC..PPolyproline II helixtrans-70.7137.2172.8-68.164.3000110.2F14 S15 Y18 Y22 R65 V66 V67 Y106 W114F14-H20 HydrophobicContact CB-CB 4.09Å; F14-H20 AromaticContact CD1-CE1 3.7Å; F14-H20 AromaticContact CD1-ND1 3.93Å; F14-H20 WeakPolarHBondContact O-CB 3.31Å; F14-H20 PolarHBondContact O-N 3.19Å; F14-H20 PolarHBondContact O-ND1 3.2Å; F14-H20 VanDerWaalsContact O-ND1 3.13Å; S15-H20 WeakPolarHBondContact CA-O 3.36Å; S15-H20 WeakPolarHBondContact CB-O 3.27Å; Y18-H20 VanDerWaalsContact C-N 3.32Å; Y18-H20 PolarHBondContact O-N 3.04Å; H20-Y22 PolarHBondContact O-N 3.4Å; H20-R65 HydrophobicContact CB-CB 4.35Å; H20-V66 PolarHBondContact CD2-O 2.85Å; H20-V67 HydrophobicContact CB-CB 3.92Å; H20-V67 HydrophobicContact CB-CG1 3.8Å; H20-Y106 AromaticContact CE1-CE1 3.86Å; H20-Y106 AromaticContact NE2-CE1 3.25Å; H20-Y106 WeakPolarHBondContact NE2-CE1 3.42Å; H20-Y106 AromaticContact NE2-CZ 3.47Å; H20-Y106 PolarHBondContact NE2-OH 2.96Å; H20-W114 AromaticContact CE1-CZ3 3.58Å
21T96.6Very high93Very high78 Ų7848.4 Ų48.448%0.47925%0.25SS..EExtended strand (participates in β ladder)trans-75.4124.1171.6-59.50000108.9Y23 R65 V66 V67T21-Y23 PolarHBondContact O-N 3.41Å; T21-R65 PolarHBondContact N-O 2.82Å; T21-V66 VanDerWaalsContact O-CA 3.28Å; T21-V66 WeakPolarHBondContact O-CA 3.23Å; T21-V67 PolarHBondContact O-N 3.27Å
22Y96.2Very high91.2Very high103 Ų10354.4 Ų54.440%0.40428%0.283SS..EExtended strand (participates in β ladder)trans-65.8123.4168.4175.4-105.4000109.6L11 H20 H24 V67 N68L11-Y22 HydrophobicContact CD1-CD2 4.37Å; L11-Y22 HydrophobicContact CD1-CE2 3.91Å; L11-Y22 HydrophobicContact CD2-CD2 4.02Å; L11-Y22 HydrophobicContact CD2-CE2 3.98Å; H20-Y22 PolarHBondContact O-N 3.4Å; Y22-H24 HydrophobicContact CE1-CB 4.41Å; Y22-V67 WeakPolarHBondContact CA-O 3.37Å; Y22-V67 WeakPolarHBondContact CD2-O 3.39Å; Y22-N68 HydrophobicContact CE2-CB 4.41Å
23Y93.9Very high89.8Confident82 Ų8253.2 Ų53.232%0.32228%0.276SS..  trans-122.3113.9178.4-161.2-90.3000109.4T21 F46 L63 V66 V67 N68T21-Y23 PolarHBondContact O-N 3.41Å; Y23-F46 AromaticContact CD1-CE1 3.93Å; Y23-F46 HydrophobicContact CD1-CE1 3.93Å; Y23-F46 AromaticContact CD1-CZ 3.99Å; Y23-F46 HydrophobicContact CD1-CZ 3.99Å; Y23-F46 HydrophobicContact CE1-CE1 4.21Å; Y23-F46 HydrophobicContact CG-CE1 4.29Å; Y23-F46 HydrophobicContact CG-CZ 4.36Å; Y23-L63 HydrophobicContact CD2-CD1 3.91Å; Y23-L63 HydrophobicContact CD2-CD2 4.33Å; Y23-L63 HydrophobicContact CE2-CD1 3.86Å; Y23-V66 HydrophobicContact CG-CG1 4.3Å; Y23-V67 PolarHBondContact N-O 2.96Å; Y23-N68 WeakPolarHBondContact O-CB 3.5Å; Y23-N68 PolarHBondContact O-ND2 3.07Å
24H93.8Very high88.1Confident77 Ų7758.7 Ų58.736%0.35631%0.313SS..PPolyproline II helixtrans-57.7146.2-173.5-17363.2000112.2Y22 S26 T354 E357Y22-H24 HydrophobicContact CE1-CB 4.41Å; H24-S26 PolarHBondContact O-N 3.25Å; H24-T354 PolarHBondContact CE1-O 3.26Å; H24-E357 IonicContact NE2-OE2 3.16Å; H24-E357 PolarHBondContact NE2-OE2 3.42Å
25S94.6Very high86.7Confident8 Ų862.6 Ų62.66%0.05634%0.337CS..PPolyproline II helixtrans-50.1136.9-179.7-175.10000112T69 Q70 K71S25-T69 WeakPolarHBondContact CB-O 3.34Å; S25-Q70 VanDerWaalsContact CA-OE1 3.3Å; S25-Q70 VanDerWaalsContact OG-CD 3.23Å; S25-Q70 PolarHBondContact OG-NE2 2.93Å; S25-Q70 VanDerWaalsContact OG-NE2 3.14Å; S25-Q70 PolarHBondContact OG-OE1 3.24Å; S25-Q70 VanDerWaalsContact OG-OE1 3.06Å; S25-K71 WeakPolarHBondContact OG-CE 3.47Å; S25-K71 PolarHBondContact OG-N 2.66Å
26S92.5Very high85.6Confident29 Ų2961.8 Ų61.820%0.20333%0.33CS..PPolyproline II helixtrans-72.2161.8165.975.10000110.6H24 Q70 K71H24-S26 PolarHBondContact O-N 3.25Å; S26-Q70 PolarHBondContact O-NE2 3.31Å; S26-Q70 PolarHBondContact OG-NE2 3.04Å; S26-Q70 PolarHBondContact OG-OE1 2.97Å; S26-K71 VanDerWaalsContact O-CE 3.3Å; S26-K71 WeakPolarHBondContact O-CE 3.35Å
27P92Very high85Confident50 Ų5057.5 Ų57.533%0.32531%0.314SS..PPolyproline II helixtrans-55.8149.8166.8-23.534.2000111.8I29 D305P27-I29 PolarHBondContact O-N 3.37Å; P27-D305 VanDerWaalsContact CA-OD2 3.27Å; P27-D305 WeakPolarHBondContact CA-OD2 3.41Å; P27-D305 HydrophobicContact CB-CB 3.96Å
28V92.3Very high84.6Confident0 Ų052.3 Ų52.30%029%0.291CS..SBendtrans-68.2-13171.2-630000112.8P30 F38 A39 K71 I73 V301 A302 D305V28-P30 VanDerWaalsContact O-CD 3.31Å; V28-P30 WeakPolarHBondContact O-CD 3.46Å; V28-F38 CarbonylContact O-C 3.01Å; V28-F38 WeakPolarHBondContact O-CA 3.28Å; V28-F38 WeakPolarHBondContact O-CB 3.47Å; V28-A39 PolarHBondContact O-N 2.95Å; V28-K71 HydrophobicContact CG1-CB 3.37Å; V28-I73 HydrophobicContact CB-CD1 4.05Å; V28-I73 HydrophobicContact CB-CG1 4.32Å; V28-I73 HydrophobicContact CG1-CD1 4.26Å; V28-I73 HydrophobicContact CG1-CG1 4.22Å; V28-I73 HydrophobicContact CG2-CD1 3.81Å; V28-V301 HydrophobicContact CB-CG1 4.37Å; V28-V301 HydrophobicContact CG1-CG1 3.46Å; V28-V301 VanDerWaalsContact CG1-CG1 3.46Å; V28-V301 HydrophobicContact CG2-CG1 3.98Å; V28-A302 HydrophobicContact CG2-CB 4.09Å; V28-D305 HydrophobicContact CG2-CB 4.05Å; V28-D305 PolarHBondContact N-OD2 3.03Å
29I85.3Confident84.3Confident26 Ų2651 Ų5113%0.13329%0.286CS..SBendtrans-93.8104.3175.1-56.9-59.9000106.5P27 H31 F38 D305P27-I29 PolarHBondContact O-N 3.37Å; I29-H31 PolarHBondContact O-N 3.25Å; I29-F38 HydrophobicContact CD1-CD1 3.74Å; I29-F38 HydrophobicContact CD1-CE1 3.66Å; I29-D305 HydrophobicContact CG1-CB 4.27Å
30P78Confident84Confident19 Ų1949.2 Ų49.212%0.12326%0.264CS..  trans-62.1135-177.8-25.435.9000110.9V28 D33 L36 A39V28-P30 VanDerWaalsContact O-CD 3.31Å; V28-P30 WeakPolarHBondContact O-CD 3.46Å; P30-D33 HydrophobicContact CB-CB 3.87Å; P30-L36 HydrophobicContact CG-CB 4.03Å; P30-A39 HydrophobicContact CG-CB 4.46Å
31H66.8Low83.7Confident76 Ų7649 Ų4935%0.35226%0.263SS..SBendtrans-82.7129.1171.8-169.7-77.5000109.3I29 D33 Q690 E691I29-H31 PolarHBondContact O-N 3.25Å; H31-D33 PolarHBondContact O-N 2.83Å; H31-Q690 VanDerWaalsContact CD2-C 3.47Å; H31-Q690 PolarHBondContact CD2-O 2.94Å; H31-Q690 PolarHBondContact NE2-O 2.92Å; H31-E691 WeakPolarHBondContact NE2-CG 3.42Å
32D61Low83.5Confident140 Ų14045.2 Ų45.275%0.74924%0.24SC*.SBendtrans52.422.7178-68.4-26.8000116.9P34D32-P34 WeakPolarHBondContact O-CD 3.45Å
33D66.7Low83.3Confident19 Ų1940.3 Ų40.310%0.10222%0.221CC..  trans-110.595.5171.2-162.7-18.8000110.8P30 H31 T35 K47P30-D33 HydrophobicContact CB-CB 3.87Å; H31-D33 PolarHBondContact O-N 2.83Å; D33-T35 PolarHBondContact O-N 3.44Å; D33-T35 VanDerWaalsContact OD1-CB 3.32Å; D33-T35 WeakPolarHBondContact OD1-CB 3.46Å; D33-T35 PolarHBondContact OD1-N 3.01Å; D33-T35 PolarHBondContact OD1-OG1 3.22Å; D33-T35 PolarHBondContact OD2-OG1 2.86Å; D33-K47 IonicContact OD1-NZ 2.72Å; D33-K47 PolarHBondContact OD1-NZ 2.99Å; D33-K47 WeakPolarHBondContact OD2-CD 3.5Å; D33-K47 IonicContact OD2-NZ 3.67Å; D33-K47 PolarHBondContact OD2-NZ 3.38Å
34P63.9Low83.1Confident127 Ų12737.1 Ų37.183%0.82521%0.209SC*.THydrogen-bonded Turntrans-71.8-9177.931.1-35.6000112.8D32D32-P34 WeakPolarHBondContact O-CD 3.45Å
35T67.3Low82.8Confident83 Ų8335 Ų3551%0.50920%0.199SC..THydrogen-bonded Turntrans-83.3-14.2-177.771.10000113.2D33 K47D33-T35 PolarHBondContact O-N 3.44Å; D33-T35 VanDerWaalsContact OD1-CB 3.32Å; D33-T35 WeakPolarHBondContact OD1-CB 3.46Å; D33-T35 PolarHBondContact OD1-N 3.01Å; D33-T35 PolarHBondContact OD1-OG1 3.22Å; D33-T35 PolarHBondContact OD2-OG1 2.86Å; T35-K47 PolarHBondContact OG1-NZ 2.82Å; T35-K47 VanDerWaalsContact OG1-NZ 3.11Å
36L75.8Confident82.7Confident17 Ų1734.6 Ų34.69%0.08920%0.197CC..  trans-126.8132.9-175.8-65.8175.5000111.6P30 N44 M175P30-L36 HydrophobicContact CG-CB 4.03Å; L36-N44 HydrophobicContact CD1-CB 4.27Å; L36-N44 WeakPolarHBondContact CD1-ND2 3.23Å; L36-M175 HydrophobicContact CD1-SD 4.06Å
37L82.3Confident82.3Confident65 Ų6534.5 Ų34.534%0.3419%0.193SC..SBendtrans-73.6-40.8171.5-64.7-178.4000111.5R314 V317L37-R314 HydrophobicContact CB-CB 4.17Å; L37-R314 HydrophobicContact CD2-CB 4.3Å; L37-R314 PolarHBondContact O-NH1 2.84Å; L37-R314 VanDerWaalsContact O-NH1 3.11Å; L37-V317 HydrophobicContact CD1-CG2 3.88Å
38F88.7Confident81.9Confident8 Ų834.3 Ų34.34%0.03519%0.191CC..SBendtrans-138.2157.1177.2-55.3-80.1000110V28 I29 N40 I73 R314 V317 L318V28-F38 CarbonylContact O-C 3.01Å; V28-F38 WeakPolarHBondContact O-CA 3.28Å; V28-F38 WeakPolarHBondContact O-CB 3.47Å; I29-F38 HydrophobicContact CD1-CD1 3.74Å; I29-F38 HydrophobicContact CD1-CE1 3.66Å; F38-N40 PolarHBondContact O-N 3.02Å; F38-I73 HydrophobicContact CB-CB 3.82Å; F38-I73 HydrophobicContact CB-CG2 4.18Å; F38-I73 HydrophobicContact CD1-CB 4.41Å; F38-I73 HydrophobicContact CD1-CD1 4.14Å; F38-I73 HydrophobicContact CD1-CG2 4.41Å; F38-I73 HydrophobicContact CD2-CB 4.47Å; F38-I73 HydrophobicContact CD2-CG2 3.9Å; F38-I73 HydrophobicContact CE2-CG2 4.43Å; F38-I73 HydrophobicContact CG-CB 3.99Å; F38-I73 HydrophobicContact CG-CG2 3.9Å; F38-R314 HydrophobicContact CE1-CB 4.08Å; F38-R314 HydrophobicContact CE2-CB 4.17Å; F38-R314 HydrophobicContact CZ-CB 3.73Å; F38-R314 WeakPolarHBondContact CZ-O 3.45Å; F38-V317 HydrophobicContact CE2-CB 3.75Å; F38-V317 HydrophobicContact CE2-CG1 3.73Å; F38-V317 HydrophobicContact CE2-CG2 4.21Å; F38-V317 HydrophobicContact CZ-CB 4.11Å; F38-V317 HydrophobicContact CZ-CG1 4.29Å; F38-L318 HydrophobicContact CE1-CD1 4.46Å; F38-L318 HydrophobicContact CE1-CD2 3.75Å; F38-L318 HydrophobicContact CE1-CG 4.1Å; F38-L318 HydrophobicContact CZ-CD2 3.67Å; F38-L318 HydrophobicContact CZ-CG 3.87Å
39A90.5Very high81.7Confident2 Ų235.2 Ų35.22%0.01720%0.196CC..  trans-63.2116.1166.100000108.5V28 P30 N44 C72 I73V28-A39 PolarHBondContact O-N 2.95Å; P30-A39 HydrophobicContact CG-CB 4.46Å; A39-N44 VanDerWaalsContact CA-OD1 3.31Å; A39-N44 WeakPolarHBondContact CA-OD1 3.48Å; A39-N44 HydrophobicContact CB-CB 4.48Å; A39-C72 CarbonylContact O-C 3.6Å; A39-C72 VanDerWaalsContact O-CA 3.28Å; A39-C72 WeakPolarHBondContact O-CA 3.37Å; A39-I73 PolarHBondContact O-N 3.05Å
40N89.4Confident81.7Confident18 Ų1834 Ų3410%0.09619%0.19CC..  trans-105.6-10.7-175.665.1-5.1000112.9F38 N44 R74F38-N40 PolarHBondContact O-N 3.02Å; N40-N44 PolarHBondContact N-OD1 3.01Å; N40-N44 PolarHBondContact OD1-ND2 3.44Å; N40-N44 PolarHBondContact OD1-OD1 3.21Å; N40-R74 HydrophobicContact CB-CG 4.38Å; N40-R74 PolarHBondContact O-NE 3.43Å
41A90.9Very high81.7Confident1 Ų135 Ų351%0.00819%0.194CC..SBendtrans-146.5154.5178.100000111.2M43 N44 M97 W173A41-M43 HydrophobicContact CB-CG 4.36Å; A41-M43 PolarHBondContact O-N 3.13Å; A41-N44 PolarHBondContact N-OD1 2.88Å; A41-N44 VanDerWaalsContact O-CG 3.3Å; A41-N44 PolarHBondContact O-N 3.33Å; A41-N44 PolarHBondContact O-OD1 3.37Å; A41-M97 HydrophobicContact CB-CE 4.32Å; A41-M97 HydrophobicContact CB-SD 4.31Å; A41-W173 HydrophobicContact CB-CH2 4.26Å; A41-W173 HydrophobicContact CB-CZ2 3.84Å
42G92.6Very high82.2Confident0 Ų034.2 Ų34.20%021%0.206CC..G310 helixtrans-58.1-33.1-179.100000113.8N44 Q45 M97G42-N44 VanDerWaalsContact C-N 3.32Å; G42-N44 PolarHBondContact O-N 3.48Å; G42-Q45 PolarHBondContact O-NE2 3.24Å; G42-M97 PolarHBondContact N-SD 2.95Å
43M92.1Very high82.9Confident0 Ų030.2 Ų30.20%019%0.187CC..G310 helixtrans-71.2-18.8-175.884.376.9165.300114.6A41 Q45 F46 K47 F50 W173 M175 P180 D233A41-M43 HydrophobicContact CB-CG 4.36Å; A41-M43 PolarHBondContact O-N 3.13Å; M43-Q45 PolarHBondContact O-N 3.49Å; M43-Q45 VanDerWaalsContact O-N 3.1Å; M43-F46 CarbonylContact O-C 3.37Å; M43-F46 WeakPolarHBondContact O-CA 3.47Å; M43-F46 PolarHBondContact O-N 2.77Å; M43-K47 PolarHBondContact O-N 3.45Å; M43-F50 HydrophobicContact CB-CE2 3.75Å; M43-F50 HydrophobicContact CB-CZ 4.32Å; M43-F50 HydrophobicContact CG-CE2 4.45Å; M43-F50 HydrophobicContact SD-CD2 4.13Å; M43-F50 HydrophobicContact SD-CE2 4.12Å; M43-W173 HydrophobicContact CE-CH2 3.4Å; M43-W173 VanDerWaalsContact CE-CH2 3.4Å; M43-W173 HydrophobicContact CE-CZ3 3.56Å; M43-W173 HydrophobicContact CG-CH2 3.97Å; M43-W173 HydrophobicContact CG-CZ3 4.46Å; M43-M175 HydrophobicContact CE-CB 3.43Å; M43-M175 VanDerWaalsContact CE-CB 3.43Å; M43-M175 HydrophobicContact CE-CG 3.45Å; M43-M175 VanDerWaalsContact CE-CG 3.45Å; M43-M175 HydrophobicContact CE-SD 3.26Å; M43-M175 WeakPolarHBondContact CE-SD 3.26Å; M43-M175 HydrophobicContact SD-SD 4.3Å; M43-P180 HydrophobicContact CE-CG 3.52Å; M43-P180 HydrophobicContact SD-CG 3.95Å; M43-D233 HydrophobicContact CB-CB 4.34Å; M43-D233 VanDerWaalsContact CB-CG 3.45Å; M43-D233 WeakPolarHBondContact CB-OD1 3.39Å; M43-D233 WeakPolarHBondContact CB-OD2 3.4Å; M43-D233 WeakPolarHBondContact CG-OD2 3.3Å
44N89.1Confident83.6Confident15 Ų1530.7 Ų30.78%0.0819%0.191CC..G310 helixtrans-56.4-36.4-170.9-62.1139.7000112.4L36 A39 N40 A41 G42 F46 K47 M175L36-N44 HydrophobicContact CD1-CB 4.27Å; L36-N44 WeakPolarHBondContact CD1-ND2 3.23Å; A39-N44 VanDerWaalsContact CA-OD1 3.31Å; A39-N44 WeakPolarHBondContact CA-OD1 3.48Å; A39-N44 HydrophobicContact CB-CB 4.48Å; N40-N44 PolarHBondContact N-OD1 3.01Å; N40-N44 PolarHBondContact OD1-ND2 3.44Å; N40-N44 PolarHBondContact OD1-OD1 3.21Å; A41-N44 PolarHBondContact N-OD1 2.88Å; A41-N44 VanDerWaalsContact O-CG 3.3Å; A41-N44 PolarHBondContact O-N 3.33Å; A41-N44 PolarHBondContact O-OD1 3.37Å; G42-N44 VanDerWaalsContact C-N 3.32Å; G42-N44 PolarHBondContact O-N 3.48Å; N44-F46 PolarHBondContact O-N 3.39Å; N44-K47 WeakPolarHBondContact O-CB 3.4Å; N44-K47 PolarHBondContact O-N 3.28Å; N44-M175 PolarHBondContact ND2-SD 3.32Å
45Q87.8Confident84Confident31 Ų3128.7 Ų28.715%0.14517%0.173CC..G310 helixtrans-65.1-19.2177.271.4-171.8-62.400113.9G42 M43 N68G42-Q45 PolarHBondContact O-NE2 3.24Å; M43-Q45 PolarHBondContact O-N 3.49Å; M43-Q45 VanDerWaalsContact O-N 3.1Å; Q45-N68 PolarHBondContact NE2-ND2 2.96Å
46F91.4Very high84.2Confident0 Ų029.8 Ų29.80%018%0.182CC..G310 helixtrans-108.75.7-178.8-52.2-62.6000113Y23 M43 N44 P48 I49 F50 L60 L63 V66 W101 F103Y23-F46 AromaticContact CD1-CE1 3.93Å; Y23-F46 HydrophobicContact CD1-CE1 3.93Å; Y23-F46 AromaticContact CD1-CZ 3.99Å; Y23-F46 HydrophobicContact CD1-CZ 3.99Å; Y23-F46 HydrophobicContact CE1-CE1 4.21Å; Y23-F46 HydrophobicContact CG-CE1 4.29Å; Y23-F46 HydrophobicContact CG-CZ 4.36Å; M43-F46 CarbonylContact O-C 3.37Å; M43-F46 WeakPolarHBondContact O-CA 3.47Å; M43-F46 PolarHBondContact O-N 2.77Å; N44-F46 PolarHBondContact O-N 3.39Å; F46-P48 VanDerWaalsContact C-CD 3.41Å; F46-P48 VanDerWaalsContact C-N 3.28Å; F46-P48 VanDerWaalsContact O-N 3.16Å; F46-I49 HydrophobicContact CB-CD1 4.35Å; F46-I49 HydrophobicContact CD1-CD1 4.11Å; F46-I49 WeakPolarHBondContact O-CA 3.34Å; F46-I49 WeakPolarHBondContact O-CB 3.47Å; F46-I49 PolarHBondContact O-N 3.37Å; F46-F50 HydrophobicContact CB-CD2 4.16Å; F46-F50 HydrophobicContact CB-CE2 3.66Å; F46-F50 HydrophobicContact CB-CZ 4.31Å; F46-F50 WeakPolarHBondContact O-CD2 3.36Å; F46-F50 PolarHBondContact O-N 3.32Å; F46-L60 HydrophobicContact CD1-CD1 3.9Å; F46-L60 HydrophobicContact CE1-CD1 4.27Å; F46-L63 HydrophobicContact CE1-CD1 4.14Å; F46-V66 HydrophobicContact CE1-CG1 4.27Å; F46-V66 HydrophobicContact CE2-CG1 4.25Å; F46-V66 HydrophobicContact CZ-CB 4.35Å; F46-V66 HydrophobicContact CZ-CG1 3.62Å; F46-W101 AromaticContact CD2-CD2 3.78Å; F46-W101 HydrophobicContact CD2-CD2 3.78Å; F46-W101 HydrophobicContact CD2-CE3 4.14Å; F46-W101 HydrophobicContact CD2-CG 4Å; F46-W101 AromaticContact CE2-CD2 3.54Å; F46-W101 HydrophobicContact CE2-CD2 3.54Å; F46-W101 AromaticContact CE2-CE2 3.98Å; F46-W101 AromaticContact CE2-CE3 3.41Å; F46-W101 HydrophobicContact CE2-CE3 3.41Å; F46-W101 VanDerWaalsContact CE2-CE3 3.41Å; F46-W101 HydrophobicContact CE2-CG 4.17Å; F46-W101 HydrophobicContact CE2-CH2 4.14Å; F46-W101 HydrophobicContact CE2-CZ2 4.29Å; F46-W101 AromaticContact CE2-CZ3 3.71Å; F46-W101 HydrophobicContact CE2-CZ3 3.71Å; F46-W101 HydrophobicContact CZ-CE3 4.18Å; F46-W101 HydrophobicContact CZ-CZ3 4.42Å; F46-F103 HydrophobicContact CB-CE1 3.82Å; F46-F103 HydrophobicContact CB-CZ 3.74Å; F46-F103 HydrophobicContact CD1-CE2 4.34Å; F46-F103 AromaticContact CD1-CZ 3.73Å; F46-F103 HydrophobicContact CD1-CZ 3.73Å; F46-F103 AromaticContact CD2-CZ 3.98Å; F46-F103 HydrophobicContact CD2-CZ 3.98Å; F46-F103 HydrophobicContact CE1-CZ 4.37Å; F46-F103 HydrophobicContact CG-CE1 4.13Å; F46-F103 AromaticContact CG-CZ 3.53Å; F46-F103 HydrophobicContact CG-CZ 3.53Å
47K85.1Confident84.1Confident27 Ų2734.7 Ų34.712%0.11721%0.208CC..Hα-helixtrans-47.1-42.6178.1-174.2-178.7-176.7-176.60113.3D33 T35 M43 N44 I49 F50 L51 M175D33-K47 IonicContact OD1-NZ 2.72Å; D33-K47 PolarHBondContact OD1-NZ 2.99Å; D33-K47 WeakPolarHBondContact OD2-CD 3.5Å; D33-K47 IonicContact OD2-NZ 3.67Å; D33-K47 PolarHBondContact OD2-NZ 3.38Å; T35-K47 PolarHBondContact OG1-NZ 2.82Å; T35-K47 VanDerWaalsContact OG1-NZ 3.11Å; M43-K47 PolarHBondContact O-N 3.45Å; N44-K47 WeakPolarHBondContact O-CB 3.4Å; N44-K47 PolarHBondContact O-N 3.28Å; K47-I49 VanDerWaalsContact C-N 3.29Å; K47-I49 PolarHBondContact O-N 2.84Å; K47-F50 PolarHBondContact O-N 2.8Å; K47-L51 HydrophobicContact CD-CD1 4.41Å; K47-L51 HydrophobicContact CG-CD1 3.7Å; K47-L51 HydrophobicContact CG-CG 4.23Å; K47-L51 WeakPolarHBondContact O-CB 3.39Å; K47-L51 WeakPolarHBondContact O-CG 3.39Å; K47-L51 PolarHBondContact O-N 3.3Å; K47-M175 HydrophobicContact CD-CE 4.06Å; K47-M175 HydrophobicContact CD-SD 4.14Å; K47-M175 VanDerWaalsContact CE-CE 3.46Å
48P82.6Confident83.7Confident46 Ų4632.2 Ų32.230%0.29920%0.196SC..Hα-helixtrans-61.6-31.6175.6-24.535.7000114.5F46 G52 T53 V54 L60F46-P48 VanDerWaalsContact C-CD 3.41Å; F46-P48 VanDerWaalsContact C-N 3.28Å; F46-P48 VanDerWaalsContact O-N 3.16Å; P48-G52 PolarHBondContact O-N 3.09Å; P48-T53 PolarHBondContact O-N 2.77Å; P48-V54 HydrophobicContact CB-CB 4Å; P48-V54 PolarHBondContact O-N 3.13Å; P48-L60 HydrophobicContact CB-CD2 4.33Å; P48-L60 HydrophobicContact CG-CD2 4.37Å
49I87.8Confident83.3Confident19 Ų1936.1 Ų36.110%0.09722%0.222CC..Hα-helixtrans-71-51.2175.6-55.3174.7000109.5F46 K47 L51 G52 V54 L60 L63 F103F46-I49 HydrophobicContact CB-CD1 4.35Å; F46-I49 HydrophobicContact CD1-CD1 4.11Å; F46-I49 WeakPolarHBondContact O-CA 3.34Å; F46-I49 WeakPolarHBondContact O-CB 3.47Å; F46-I49 PolarHBondContact O-N 3.37Å; K47-I49 VanDerWaalsContact C-N 3.29Å; K47-I49 PolarHBondContact O-N 2.84Å; I49-L51 PolarHBondContact O-N 2.82Å; I49-G52 PolarHBondContact O-N 3.17Å; I49-V54 HydrophobicContact CG1-CB 4.4Å; I49-V54 HydrophobicContact CG1-CG2 4.41Å; I49-L60 HydrophobicContact CD1-CD1 3.88Å; I49-L60 HydrophobicContact CD1-CG 3.73Å; I49-L60 WeakPolarHBondContact CD1-O 3.48Å; I49-L60 HydrophobicContact CG1-CD1 4.38Å; I49-L60 HydrophobicContact CG1-CD2 4.2Å; I49-L60 HydrophobicContact CG1-CG 3.75Å; I49-L63 HydrophobicContact CD1-CB 4.41Å; I49-L63 HydrophobicContact CD1-CD1 4.39Å; I49-F103 HydrophobicContact CB-CD1 4.15Å; I49-F103 HydrophobicContact CB-CE1 4.28Å; I49-F103 HydrophobicContact CD1-CD1 4.25Å; I49-F103 HydrophobicContact CD1-CD2 4Å; I49-F103 HydrophobicContact CD1-CE1 4.03Å; I49-F103 HydrophobicContact CD1-CE2 3.76Å; I49-F103 HydrophobicContact CD1-CG 4.25Å; I49-F103 HydrophobicContact CD1-CZ 3.8Å; I49-F103 HydrophobicContact CG2-CB 3.92Å; I49-F103 HydrophobicContact CG2-CD1 3.53Å; I49-F103 HydrophobicContact CG2-CD2 4.45Å; I49-F103 HydrophobicContact CG2-CE1 4.16Å; I49-F103 HydrophobicContact CG2-CG 3.71Å
50F85.9Confident83.1Confident1 Ų137.3 Ų37.30%0.00423%0.228CC..Hα-helixtrans-59.4-35.7-179.2-64.1-61000112.5M43 F46 K47 G52 W101 F103 P180 I217 L227 H231 D233M43-F50 HydrophobicContact CB-CE2 3.75Å; M43-F50 HydrophobicContact CB-CZ 4.32Å; M43-F50 HydrophobicContact CG-CE2 4.45Å; M43-F50 HydrophobicContact SD-CD2 4.13Å; M43-F50 HydrophobicContact SD-CE2 4.12Å; F46-F50 HydrophobicContact CB-CD2 4.16Å; F46-F50 HydrophobicContact CB-CE2 3.66Å; F46-F50 HydrophobicContact CB-CZ 4.31Å; F46-F50 WeakPolarHBondContact O-CD2 3.36Å; F46-F50 PolarHBondContact O-N 3.32Å; K47-F50 PolarHBondContact O-N 2.8Å; F50-G52 VanDerWaalsContact C-N 3.35Å; F50-W101 AromaticContact CZ-CD1 3.72Å; F50-W101 HydrophobicContact CZ-CG 4.45Å; F50-F103 HydrophobicContact CD1-CD1 4.41Å; F50-F103 HydrophobicContact CD1-CE1 4.4Å; F50-F103 AromaticContact CE1-CD1 3.95Å; F50-F103 HydrophobicContact CE1-CD1 3.95Å; F50-F103 AromaticContact CE1-CE1 3.73Å; F50-F103 HydrophobicContact CE1-CE1 3.73Å; F50-F103 HydrophobicContact CE2-CE1 4.23Å; F50-F103 HydrophobicContact CZ-CD1 4.33Å; F50-F103 AromaticContact CZ-CE1 3.63Å; F50-F103 HydrophobicContact CZ-CE1 3.63Å; F50-P180 HydrophobicContact CB-CB 3.87Å; F50-P180 HydrophobicContact CB-CG 4.02Å; F50-P180 HydrophobicContact CD2-CG 4.34Å; F50-P180 HydrophobicContact CG-CB 4.41Å; F50-P180 HydrophobicContact CG-CG 4.42Å; F50-I217 HydrophobicContact CD1-CD1 3.66Å; F50-I217 HydrophobicContact CD1-CG2 4.3Å; F50-I217 HydrophobicContact CD2-CD1 4.3Å; F50-I217 HydrophobicContact CE1-CD1 3.54Å; F50-I217 HydrophobicContact CE2-CD1 4.2Å; F50-I217 HydrophobicContact CG-CD1 4.06Å; F50-I217 HydrophobicContact CZ-CD1 3.82Å; F50-L227 WeakPolarHBondContact O-CD2 3.3Å; F50-H231 HydrophobicContact CD1-CB 3.58Å; F50-H231 AromaticContact CD1-CG 3.66Å; F50-H231 AromaticContact CD1-ND1 3.95Å; F50-H231 HydrophobicContact CE1-CB 3.62Å; F50-D233 HydrophobicContact CZ-CB 4.41Å
51L78Confident82.9Confident39 Ų3938.4 Ų38.420%0.20424%0.24CC..THydrogen-bonded Turntrans-85.8-3.8179.6-62.3-179.2000113.8K47 I49 T53 P180 T220K47-L51 HydrophobicContact CD-CD1 4.41Å; K47-L51 HydrophobicContact CG-CD1 3.7Å; K47-L51 HydrophobicContact CG-CG 4.23Å; K47-L51 WeakPolarHBondContact O-CB 3.39Å; K47-L51 WeakPolarHBondContact O-CG 3.39Å; K47-L51 PolarHBondContact O-N 3.3Å; I49-L51 PolarHBondContact O-N 2.82Å; L51-T53 HydrophobicContact CB-CG2 4.17Å; L51-T53 PolarHBondContact O-N 2.75Å; L51-P180 HydrophobicContact CD2-CB 4.5Å; L51-T220 HydrophobicContact CD2-CG2 4.08Å
52G77.8Confident82.8Confident60 Ų6046.3 Ų46.362%0.61927%0.274SS*.THydrogen-bonded Turntrans66.620.2-176.300000114.2P48 I49 F50P48-G52 PolarHBondContact O-N 3.09Å; I49-G52 PolarHBondContact O-N 3.17Å; F50-G52 VanDerWaalsContact C-N 3.35Å
53T76.3Confident82.8Confident56 Ų5647.5 Ų47.534%0.34428%0.28SS..  trans-103.44.7-179.363.60000113P48 L51 L463P48-T53 PolarHBondContact O-N 2.77Å; L51-T53 HydrophobicContact CB-CG2 4.17Å; L51-T53 PolarHBondContact O-N 2.75Å; T53-L463 HydrophobicContact CG2-CD1 4.29Å
54V79.7Confident82.9Confident30 Ų3054.2 Ų54.218%0.18231%0.309CS..SBendtrans-62.8136.6176.764.30000110.6P48 I49 P56 S58 L60 A61P48-V54 HydrophobicContact CB-CB 4Å; P48-V54 PolarHBondContact O-N 3.13Å; I49-V54 HydrophobicContact CG1-CB 4.4Å; I49-V54 HydrophobicContact CG1-CG2 4.41Å; V54-P56 WeakPolarHBondContact O-CD 3.33Å; V54-S58 WeakPolarHBondContact CG2-OG 3.42Å; V54-L60 HydrophobicContact CG2-CB 3.87Å; V54-L60 HydrophobicContact CG2-CD2 3.93Å; V54-L60 HydrophobicContact CG2-CG 4.02Å; V54-A61 HydrophobicContact CG1-CB 4.09Å; V54-A61 HydrophobicContact CG2-CB 3.99Å
55N72.2Confident83.2Confident85 Ų8556.7 Ų56.746%0.45532%0.317SS..  trans-63.4122.6173.8-178.2-29.6000109.1N57 S58 A61N55-N57 PolarHBondContact O-N 3.09Å; N55-N57 VanDerWaalsContact O-N 3.09Å; N55-N57 WeakPolarHBondContact OD1-CB 3.39Å; N55-N57 PolarHBondContact OD1-N 3.17Å; N55-S58 WeakPolarHBondContact O-CB 3.22Å; N55-S58 PolarHBondContact O-N 3.26Å; N55-S58 PolarHBondContact O-OG 2.88Å; N55-A61 WeakPolarHBondContact O-CB 3.47Å
56P73.3Confident83.6Confident105 Ų10555.2 Ų55.268%0.68231%0.31SS*.THydrogen-bonded Turntrans-56.9-26-178.4-26.134.5000114.6V54V54-P56 WeakPolarHBondContact O-CD 3.33Å
57N71.8Confident84Confident121 Ų12155.2 Ų55.265%0.64731%0.31SS*.THydrogen-bonded Turntrans-86.8-9.2179-63.3-31.8000113N55N55-N57 PolarHBondContact O-N 3.09Å; N55-N57 VanDerWaalsContact O-N 3.09Å; N55-N57 WeakPolarHBondContact OD1-CB 3.39Å; N55-N57 PolarHBondContact OD1-N 3.17Å
58S75.6Confident84.5Confident13 Ų1353.9 Ų53.99%0.09131%0.305CS..SBendtrans-73.9149.6179.373.50000111.7V54 N55 L60 A61V54-S58 WeakPolarHBondContact CG2-OG 3.42Å; N55-S58 WeakPolarHBondContact O-CB 3.22Å; N55-S58 PolarHBondContact O-N 3.26Å; N55-S58 PolarHBondContact O-OG 2.88Å; S58-L60 PolarHBondContact O-N 2.74Å; S58-L60 VanDerWaalsContact O-N 3.17Å; S58-A61 PolarHBondContact O-N 3.26Å; S58-A61 VanDerWaalsContact O-N 3.15Å; S58-A61 PolarHBondContact OG-N 3.44Å
59P79.6Confident85.3Confident90 Ų9051.7 Ų51.758%0.58429%0.291SS*.G310 helixtrans-55.7-30.3170.7-25.834.8000113.2A61 K62P59-A61 VanDerWaalsContact C-N 3.29Å; P59-A61 PolarHBondContact O-N 2.9Å; P59-K62 PolarHBondContact O-N 2.99Å; P59-K62 VanDerWaalsContact O-N 3.14Å
60L85.4Confident85.7Confident27 Ų2750.9 Ų50.914%0.14129%0.286CS..G310 helixtrans-59.7-37.8179.2-16567.1000111.8F46 P48 I49 V54 S58 K62 L63F46-L60 HydrophobicContact CD1-CD1 3.9Å; F46-L60 HydrophobicContact CE1-CD1 4.27Å; P48-L60 HydrophobicContact CB-CD2 4.33Å; P48-L60 HydrophobicContact CG-CD2 4.37Å; I49-L60 HydrophobicContact CD1-CD1 3.88Å; I49-L60 HydrophobicContact CD1-CG 3.73Å; I49-L60 WeakPolarHBondContact CD1-O 3.48Å; I49-L60 HydrophobicContact CG1-CD1 4.38Å; I49-L60 HydrophobicContact CG1-CD2 4.2Å; I49-L60 HydrophobicContact CG1-CG 3.75Å; V54-L60 HydrophobicContact CG2-CB 3.87Å; V54-L60 HydrophobicContact CG2-CD2 3.93Å; V54-L60 HydrophobicContact CG2-CG 4.02Å; S58-L60 PolarHBondContact O-N 2.74Å; S58-L60 VanDerWaalsContact O-N 3.17Å; L60-K62 PolarHBondContact O-N 3.4Å; L60-L63 HydrophobicContact CD1-CD1 3.84Å; L60-L63 PolarHBondContact O-N 2.79Å
61A85.3Confident86.2Confident40 Ų4050.9 Ų50.933%0.33129%0.286SS..G310 helixtrans-67.6-15178.700000114.2V54 N55 S58 P59V54-A61 HydrophobicContact CG1-CB 4.09Å; V54-A61 HydrophobicContact CG2-CB 3.99Å; N55-A61 WeakPolarHBondContact O-CB 3.47Å; S58-A61 PolarHBondContact O-N 3.26Å; S58-A61 VanDerWaalsContact O-N 3.15Å; S58-A61 PolarHBondContact OG-N 3.44Å; P59-A61 VanDerWaalsContact C-N 3.29Å; P59-A61 PolarHBondContact O-N 2.9Å
62K89.2Confident87.1Confident167 Ų16749 Ų4973%0.72628%0.277SS*.G310 helixtrans-91.1-6.6-179.2-61.2178.6-177.4173.10113.3P59 L60P59-K62 PolarHBondContact O-N 2.99Å; P59-K62 VanDerWaalsContact O-N 3.14Å; L60-K62 PolarHBondContact O-N 3.4Å
63L92.5Very high87.9Confident26 Ų2646.3 Ų46.314%0.13625%0.248CC..  trans-76.2136.2-177.2-59.4176.7000110.6Y23 F46 I49 L60 V66 F103Y23-L63 HydrophobicContact CD2-CD1 3.91Å; Y23-L63 HydrophobicContact CD2-CD2 4.33Å; Y23-L63 HydrophobicContact CE2-CD1 3.86Å; F46-L63 HydrophobicContact CE1-CD1 4.14Å; I49-L63 HydrophobicContact CD1-CB 4.41Å; I49-L63 HydrophobicContact CD1-CD1 4.39Å; L60-L63 HydrophobicContact CD1-CD1 3.84Å; L60-L63 PolarHBondContact O-N 2.79Å; L63-V66 HydrophobicContact CB-CG2 4Å; L63-V66 HydrophobicContact CD1-CG2 3.89Å; L63-V66 HydrophobicContact CD2-CG2 4.12Å; L63-V66 HydrophobicContact CG-CG2 4.22Å; L63-F103 HydrophobicContact CB-CD2 3.89Å; L63-F103 HydrophobicContact CB-CE2 3.9Å
64K93.8Very high88.6Confident140 Ų14046.2 Ų46.261%0.60924%0.241SC*.SBendtrans-115.7-43.5173.7-68.1-170.5175.5-170.50112.9F103K64-F103 PolarHBondContact O-N 3.48Å
65R96.1Very high88.5Confident67 Ų6744.9 Ų44.925%0.25323%0.233SC..EExtended strand (participates in β ladder)trans-136.6129.3179.5-59.1-175.8-171.5-174.9-4.8109Y18 H20 T21 W101 D105 Y106Y18-R65 PolarHBondContact O-NH1 2.91Å; H20-R65 HydrophobicContact CB-CB 4.35Å; T21-R65 PolarHBondContact N-O 2.82Å; R65-W101 WeakPolarHBondContact CA-O 3.23Å; R65-D105 WeakPolarHBondContact CG-OD2 2.72Å; R65-D105 IonicContact CZ-OD1 2.64Å; R65-D105 IonicContact CZ-OD2 2.63Å; R65-D105 VanDerWaalsContact NE-CG 3.28Å; R65-D105 IonicContact NE-OD1 2.8Å; R65-D105 IonicContact NE-OD2 3.29Å; R65-D105 PolarHBondContact NE-OD2 3.4Å; R65-D105 IonicContact NH2-OD1 3.11Å; R65-D105 PolarHBondContact NH2-OD1 3.41Å; R65-D105 IonicContact NH2-OD2 3.65Å; R65-D105 PolarHBondContact NH2-OD2 2.85Å; R65-Y106 HydrophobicContact CG-CD1 4.08Å; R65-Y106 HydrophobicContact CG-CE1 3.97Å
66V97.2Very high88.2Confident0 Ų041.9 Ų41.90%022%0.223CC..EExtended strand (participates in β ladder)trans-133.9144.5-177.4174.30000111H20 T21 Y23 F46 L63 N100 W101 F103H20-V66 PolarHBondContact CD2-O 2.85Å; T21-V66 VanDerWaalsContact O-CA 3.28Å; T21-V66 WeakPolarHBondContact O-CA 3.23Å; Y23-V66 HydrophobicContact CG-CG1 4.3Å; F46-V66 HydrophobicContact CE1-CG1 4.27Å; F46-V66 HydrophobicContact CE2-CG1 4.25Å; F46-V66 HydrophobicContact CZ-CB 4.35Å; F46-V66 HydrophobicContact CZ-CG1 3.62Å; L63-V66 HydrophobicContact CB-CG2 4Å; L63-V66 HydrophobicContact CD1-CG2 3.89Å; L63-V66 HydrophobicContact CD2-CG2 4.12Å; L63-V66 HydrophobicContact CG-CG2 4.22Å; V66-N100 CarbonylContact O-C 3.56Å; V66-N100 WeakPolarHBondContact O-CA 3.42Å; V66-W101 HydrophobicContact CB-CE3 4.2Å; V66-W101 HydrophobicContact CG1-CE3 3.92Å; V66-W101 HydrophobicContact CG1-CZ3 4.34Å; V66-W101 PolarHBondContact N-O 2.96Å; V66-W101 VanDerWaalsContact N-O 3.1Å; V66-W101 PolarHBondContact O-N 3.03Å; V66-F103 HydrophobicContact CB-CE2 4.27Å; V66-F103 HydrophobicContact CG2-CE2 3.75Å
67V98.2Very high87.6Confident0 Ų040.1 Ų40.10%022%0.223CC..EExtended strand (participates in β ladder)trans-132139.9170.764.90000110.4F10 L11 F14 H20 T21 Y22 Y23 G99 N100F10-V67 HydrophobicContact CD1-CG2 3.99Å; F10-V67 HydrophobicContact CE1-CG2 3.47Å; F10-V67 VanDerWaalsContact CE1-CG2 3.47Å; F10-V67 HydrophobicContact CZ-CG2 4.37Å; L11-V67 HydrophobicContact CD2-CG2 4Å; F14-V67 HydrophobicContact CB-CB 3.83Å; F14-V67 HydrophobicContact CB-CG1 4.11Å; F14-V67 HydrophobicContact CB-CG2 3.71Å; F14-V67 HydrophobicContact CD2-CG2 4.04Å; F14-V67 HydrophobicContact CG-CG2 4.16Å; H20-V67 HydrophobicContact CB-CB 3.92Å; H20-V67 HydrophobicContact CB-CG1 3.8Å; T21-V67 PolarHBondContact O-N 3.27Å; Y22-V67 WeakPolarHBondContact CA-O 3.37Å; Y22-V67 WeakPolarHBondContact CD2-O 3.39Å; Y23-V67 PolarHBondContact N-O 2.96Å; V67-G99 CarbonylContact C-O 3.57Å; V67-G99 VanDerWaalsContact CA-O 3.31Å; V67-G99 WeakPolarHBondContact CA-O 3.2Å; V67-G99 WeakPolarHBondContact CG2-O 3.47Å; V67-N100 HydrophobicContact CG2-CB 4.46Å
68N97.3Very high87.1Confident0 Ų040.6 Ų40.60%022%0.22CC..EExtended strand (participates in β ladder)trans-157-179170.388.2-3.1000113.8Y22 Y23 Q45 Q70 G99 W101Y22-N68 HydrophobicContact CE2-CB 4.41Å; Y23-N68 WeakPolarHBondContact O-CB 3.5Å; Y23-N68 PolarHBondContact O-ND2 3.07Å; Q45-N68 PolarHBondContact NE2-ND2 2.96Å; N68-Q70 PolarHBondContact OD1-N 3.47Å; N68-G99 PolarHBondContact N-O 3.07Å; N68-G99 PolarHBondContact O-N 3.41Å; N68-W101 HydrophobicContact CB-CZ3 4.31Å; N68-W101 WeakPolarHBondContact OD1-CH2 3.35Å; N68-W101 VanDerWaalsContact OD1-CZ3 3.31Å; N68-W101 WeakPolarHBondContact OD1-CZ3 3.5Å
69T97.6Very high86.6Confident0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-107.2123.9153.9177.70000107.5R7 S25 E96 T354 F355R7-T69 HydrophobicContact CG-CG2 4.3Å; S25-T69 WeakPolarHBondContact CB-O 3.34Å; T69-E96 PolarHBondContact OG1-OE2 3.35Å; T69-T354 HydrophobicContact CG2-CG2 3.48Å; T69-T354 VanDerWaalsContact CG2-CG2 3.48Å; T69-F355 HydrophobicContact CG2-CE1 3.97Å; T69-F355 HydrophobicContact CG2-CZ 3.81Å
70Q97Very high86.6Confident1 Ų140.3 Ų40.31%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-106.8130.8179.4179.656.546.800110.4S25 S26 N68 C72 M97S25-Q70 VanDerWaalsContact CA-OE1 3.3Å; S25-Q70 VanDerWaalsContact OG-CD 3.23Å; S25-Q70 PolarHBondContact OG-NE2 2.93Å; S25-Q70 VanDerWaalsContact OG-NE2 3.14Å; S25-Q70 PolarHBondContact OG-OE1 3.24Å; S25-Q70 VanDerWaalsContact OG-OE1 3.06Å; S26-Q70 PolarHBondContact O-NE2 3.31Å; S26-Q70 PolarHBondContact OG-NE2 3.04Å; S26-Q70 PolarHBondContact OG-OE1 2.97Å; N68-Q70 PolarHBondContact OD1-N 3.47Å; Q70-C72 PolarHBondContact O-N 3.01Å; Q70-M97 PolarHBondContact N-O 2.78Å; Q70-M97 PolarHBondContact O-N 2.91Å
71K97.1Very high86.6Confident1 Ų140 Ų400%0.00421%0.209CC..EExtended strand (participates in β ladder)trans-65.9123.5168.5-63.7174.1-66.5178.90109.6S25 S26 V28 F94 V301 D305 F355 E357S25-K71 WeakPolarHBondContact OG-CE 3.47Å; S25-K71 PolarHBondContact OG-N 2.66Å; S26-K71 VanDerWaalsContact O-CE 3.3Å; S26-K71 WeakPolarHBondContact O-CE 3.35Å; V28-K71 HydrophobicContact CG1-CB 3.37Å; K71-F94 HydrophobicContact CB-CE2 3.79Å; K71-F94 HydrophobicContact CG-CE2 4.05Å; K71-F94 HydrophobicContact CG-CZ 4.34Å; K71-V301 HydrophobicContact CB-CG1 4.29Å; K71-V301 HydrophobicContact CD-CG1 3.82Å; K71-V301 HydrophobicContact CG-CG1 4.37Å; K71-D305 WeakPolarHBondContact CE-OD2 3.43Å; K71-D305 IonicContact NZ-OD1 3.88Å; K71-D305 PolarHBondContact NZ-OD1 3.38Å; K71-D305 IonicContact NZ-OD2 3.96Å; K71-D305 PolarHBondContact NZ-OD2 3.24Å; K71-F355 HydrophobicContact CD-CB 4.41Å; K71-F355 HydrophobicContact CD-CD1 3.68Å; K71-F355 HydrophobicContact CD-CD2 4.2Å; K71-F355 HydrophobicContact CD-CE1 3.96Å; K71-F355 HydrophobicContact CD-CE2 4.44Å; K71-F355 HydrophobicContact CD-CG 3.83Å; K71-F355 HydrophobicContact CD-CZ 4.33Å; K71-F355 HydrophobicContact CG-CD1 3.77Å; K71-F355 HydrophobicContact CG-CD2 4.12Å; K71-F355 HydrophobicContact CG-CE1 3.49Å; K71-F355 VanDerWaalsContact CG-CE1 3.49Å; K71-F355 HydrophobicContact CG-CE2 3.85Å; K71-F355 HydrophobicContact CG-CG 4.09Å; K71-F355 HydrophobicContact CG-CZ 3.53Å; K71-E357 WeakPolarHBondContact CE-OE1 3.46Å; K71-E357 IonicContact NZ-OE1 3.26Å; K71-E357 PolarHBondContact NZ-OE1 2.76Å
72C95.6Very high86.6Confident0 Ų038.2 Ų38.20%019%0.194CC..EExtended strand (participates in β ladder)trans-126.6139.2177.7-670000111.4A39 Q70 F94 F95A39-C72 CarbonylContact O-C 3.6Å; A39-C72 VanDerWaalsContact O-CA 3.28Å; A39-C72 WeakPolarHBondContact O-CA 3.37Å; Q70-C72 PolarHBondContact O-N 3.01Å; C72-F94 WeakPolarHBondContact O-CA 3.45Å; C72-F94 WeakPolarHBondContact O-CD2 3.33Å; C72-F95 HydrophobicContact CB-CD1 4.49Å; C72-F95 HydrophobicContact CB-CD2 4.41Å; C72-F95 HydrophobicContact CB-CE1 4.02Å; C72-F95 HydrophobicContact CB-CE2 3.95Å; C72-F95 HydrophobicContact CB-CZ 3.72Å; C72-F95 PolarHBondContact N-O 2.66Å; C72-F95 PolarHBondContact O-N 3.47Å; C72-F95 VanDerWaalsContact O-N 3.1Å
73I94.4Very high86.2Confident3 Ų333.2 Ų33.22%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-120.1125.7171.4-66.4177.9000109.7V28 F38 A39 A75 T93 F94 A302V28-I73 HydrophobicContact CB-CD1 4.05Å; V28-I73 HydrophobicContact CB-CG1 4.32Å; V28-I73 HydrophobicContact CG1-CD1 4.26Å; V28-I73 HydrophobicContact CG1-CG1 4.22Å; V28-I73 HydrophobicContact CG2-CD1 3.81Å; F38-I73 HydrophobicContact CB-CB 3.82Å; F38-I73 HydrophobicContact CB-CG2 4.18Å; F38-I73 HydrophobicContact CD1-CB 4.41Å; F38-I73 HydrophobicContact CD1-CD1 4.14Å; F38-I73 HydrophobicContact CD1-CG2 4.41Å; F38-I73 HydrophobicContact CD2-CB 4.47Å; F38-I73 HydrophobicContact CD2-CG2 3.9Å; F38-I73 HydrophobicContact CE2-CG2 4.43Å; F38-I73 HydrophobicContact CG-CB 3.99Å; F38-I73 HydrophobicContact CG-CG2 3.9Å; A39-I73 PolarHBondContact O-N 3.05Å; I73-A75 HydrophobicContact CG2-CB 3.99Å; I73-T93 CarbonylContact C-O 3.48Å; I73-T93 WeakPolarHBondContact CA-O 3.33Å; I73-F94 HydrophobicContact CG1-CB 4.29Å; I73-F94 HydrophobicContact CG1-CD2 4.15Å; I73-A302 HydrophobicContact CD1-CB 3.9Å
74R90.8Very high86Confident54 Ų5435.3 Ų35.320%0.20419%0.186CC..  trans-114.575.4173.1-75.2-177.5-176-178.51.8110.1N40 H79 D81 T93 F95N40-R74 HydrophobicContact CB-CG 4.38Å; N40-R74 PolarHBondContact O-NE 3.43Å; R74-H79 HydrophobicContact CG-CB 4.13Å; R74-D81 HydrophobicContact CB-CB 4.44Å; R74-D81 WeakPolarHBondContact CD-OD2 3.36Å; R74-D81 PolarHBondContact O-N 3.07Å; R74-T93 PolarHBondContact N-O 3.38Å; R74-F95 HydrophobicContact CB-CE1 4.29Å; R74-F95 HydrophobicContact CG-CE1 3.76Å; R74-F95 HydrophobicContact CG-CZ 4.3Å
75A78Confident85.9Confident2 Ų228.6 Ų28.62%0.01716%0.157CC..SBendtrans-136.6109.8173.900000108.6I73 N80 L82 V317 I321I73-A75 HydrophobicContact CG2-CB 3.99Å; A75-N80 WeakPolarHBondContact CA-OD1 3.39Å; A75-L82 HydrophobicContact CB-CB 4.44Å; A75-V317 HydrophobicContact CB-CG1 3.53Å; A75-V317 VanDerWaalsContact O-CG1 3.31Å; A75-V317 WeakPolarHBondContact O-CG1 3.29Å; A75-I321 HydrophobicContact CB-CD1 3.79Å; A75-I321 HydrophobicContact CB-CG1 4.39Å
76G66.1Low85.5Confident23 Ų2325.4 Ų25.424%0.23715%0.145CC..SBendtrans84.3161.5-171.800000114.9N80G76-N80 PolarHBondContact N-OD1 3.49Å
77G61.3Low85.1Confident67 Ų6729.8 Ų29.869%0.69116%0.164SC*.SBendtrans81.5-159.8-175.100000113.4H79G77-H79 VanDerWaalsContact C-N 3.34Å
78K61.4Low84.6Confident131 Ų13131.1 Ų31.157%0.5717%0.172SC*.SBendtrans-64.5-35.4179.8-174.2-177.4179.3-174.90112.5E174K78-E174 IonicContact NZ-OE2 3.89Å; K78-E174 PolarHBondContact NZ-OE2 2.9Å
79H65.3Low84.3Confident49 Ų4932.2 Ų32.223%0.22718%0.178CC..SBendtrans-108.695.2178.5-57.4-70.3000108.8R74 G77R74-H79 HydrophobicContact CG-CB 4.13Å; G77-H79 VanDerWaalsContact C-N 3.34Å
80N78.1Confident84Confident48 Ų4834 Ų3426%0.25719%0.185SC..  trans-127.6103.5-176.6177.439.3000110.3A75 G76 L82A75-N80 WeakPolarHBondContact CA-OD1 3.39Å; G76-N80 PolarHBondContact N-OD1 3.49Å; N80-L82 VanDerWaalsContact OD1-CB 3.25Å; N80-L82 WeakPolarHBondContact OD1-CB 3.43Å; N80-L82 PolarHBondContact OD1-N 2.87Å
81D86.3Confident83.7Confident22 Ų2235.7 Ų35.712%0.11819%0.193CC..  trans-97.82-178.3-57.2-17.3000111.2R74 D83 D84 V85 H91R74-D81 HydrophobicContact CB-CB 4.44Å; R74-D81 WeakPolarHBondContact CD-OD2 3.36Å; R74-D81 PolarHBondContact O-N 3.07Å; D81-D83 PolarHBondContact O-N 2.74Å; D81-D83 VanDerWaalsContact O-N 3.14Å; D81-D84 PolarHBondContact O-N 2.76Å; D81-D84 VanDerWaalsContact O-N 3.13Å; D81-V85 WeakPolarHBondContact O-CG2 3.24Å; D81-V85 PolarHBondContact O-N 2.97Å; D81-V85 VanDerWaalsContact O-N 3.08Å; D81-H91 HydrophobicContact CB-CB 4.34Å
82L85.4Confident83.6Confident1 Ų136 Ų361%0.00519%0.194CC..THydrogen-bonded Turntrans-55.3-36.8-173.5-179.360000112.5A75 N80 T93 I321 R324A75-L82 HydrophobicContact CB-CB 4.44Å; N80-L82 VanDerWaalsContact OD1-CB 3.25Å; N80-L82 WeakPolarHBondContact OD1-CB 3.43Å; N80-L82 PolarHBondContact OD1-N 2.87Å; L82-T93 HydrophobicContact CB-CG2 4.46Å; L82-T93 HydrophobicContact CD1-CG2 3.54Å; L82-I321 HydrophobicContact CD1-CG1 3.97Å; L82-R324 PolarHBondContact O-NH1 3.33Å; L82-R324 PolarHBondContact O-NH2 3.37Å
83D81.7Confident83.6Confident63 Ų6336 Ų3634%0.33719%0.194SC..THydrogen-bonded Turntrans-80.8-23.3-175.2-62.5-40.9000113.6D81 K87 R324D81-D83 PolarHBondContact O-N 2.74Å; D81-D83 VanDerWaalsContact O-N 3.14Å; D83-K87 WeakPolarHBondContact O-CD 3.23Å; D83-K87 VanDerWaalsContact O-CE 3.3Å; D83-K87 WeakPolarHBondContact O-CE 3.32Å; D83-K87 PolarHBondContact O-NZ 2.81Å; D83-R324 PolarHBondContact O-NH2 3.4Å; D83-R324 IonicContact OD1-NH1 3.65Å; D83-R324 PolarHBondContact OD1-NH1 3.44Å; D83-R324 VanDerWaalsContact OD1-NH1 3.12Å
84D87.1Confident83.7Confident69 Ų6935.8 Ų35.837%0.36919%0.193SC..THydrogen-bonded Turntrans-87.2-27.5177.9-58.6-54.5000112.5D81 G86 K87 D88 H91D81-D84 PolarHBondContact O-N 2.76Å; D81-D84 VanDerWaalsContact O-N 3.13Å; D84-G86 PolarHBondContact O-N 2.81Å; D84-G86 VanDerWaalsContact O-N 3.14Å; D84-K87 WeakPolarHBondContact O-CB 3.46Å; D84-K87 PolarHBondContact O-N 3.16Å; D84-D88 PolarHBondContact O-N 2.84Å; D84-H91 HydrophobicContact CB-CB 4.16Å
85V91.1Very high84Confident0 Ų034.3 Ų34.30%019%0.188CC..THydrogen-bonded Turntrans-52122.1179.4171.80000111.9D81 K87 T93 V291 D294 R324D81-V85 WeakPolarHBondContact O-CG2 3.24Å; D81-V85 PolarHBondContact O-N 2.97Å; D81-V85 VanDerWaalsContact O-N 3.08Å; V85-K87 VanDerWaalsContact C-N 3.29Å; V85-K87 PolarHBondContact O-N 3.27Å; V85-T93 HydrophobicContact CB-CG2 4.36Å; V85-T93 HydrophobicContact CG2-CG2 3.65Å; V85-V291 WeakPolarHBondContact O-CG2 3.25Å; V85-D294 HydrophobicContact CG1-CB 3.83Å; V85-D294 WeakPolarHBondContact CG1-OD2 3.31Å; V85-R324 PolarHBondContact O-NH2 3.03Å
86G87.9Confident84.9Confident0 Ų034.2 Ų34.20%019%0.188CC..THydrogen-bonded Turntrans87-22-179.700000114.8D84 M287 R290D84-G86 PolarHBondContact O-N 2.81Å; D84-G86 VanDerWaalsContact O-N 3.14Å; G86-M287 WeakPolarHBondContact O-CG 3.31Å; G86-R290 VanDerWaalsContact O-CZ 3.32Å; G86-R290 PolarHBondContact O-NE 2.78Å; G86-R290 PolarHBondContact O-NH2 3.32Å
87K88.6Confident86.4Confident92 Ų9233.9 Ų33.940%0.418%0.18SC..THydrogen-bonded Turntrans-73.2-43.5174.8-64.1-178.7179.61740110.4D83 D84 V85 M287 E424D83-K87 WeakPolarHBondContact O-CD 3.23Å; D83-K87 VanDerWaalsContact O-CE 3.3Å; D83-K87 WeakPolarHBondContact O-CE 3.32Å; D83-K87 PolarHBondContact O-NZ 2.81Å; D84-K87 WeakPolarHBondContact O-CB 3.46Å; D84-K87 PolarHBondContact O-N 3.16Å; V85-K87 VanDerWaalsContact C-N 3.29Å; V85-K87 PolarHBondContact O-N 3.27Å; K87-M287 HydrophobicContact CG-SD 4.25Å; K87-E424 IonicContact NZ-OE2 2.89Å
88D88.9Confident88.1Confident28 Ų2830.7 Ų30.715%0.1515%0.147CC..SBendtrans-101.6-169.1170.166.557.3000112.6D84 Y90 H91D84-D88 PolarHBondContact O-N 2.84Å; D88-Y90 HydrophobicContact CB-CD1 4.37Å; D88-Y90 HydrophobicContact CB-CE1 4.09Å; D88-Y90 PolarHBondContact OD1-N 2.85Å; D88-H91 IonicContact OD1-CG 3.97Å; D88-H91 PolarHBondContact OD1-N 2.92Å; D88-H91 IonicContact OD1-ND1 3.87Å; D88-H91 IonicContact OD2-CE1 3.41Å; D88-H91 IonicContact OD2-CG 3.97Å; D88-H91 IonicContact OD2-ND1 3.46Å; D88-H91 PolarHBondContact OD2-ND1 2.86Å
89V91.7Very high89.8Confident23 Ų2324.4 Ų24.414%0.13912%0.12CC..SBendtrans-114.95.7-171.9-59.70000114N251 V277V89-N251 PolarHBondContact O-N 2.91Å; V89-V277 HydrophobicContact CG1-CG1 3.68Å
90Y90.1Very high91.4Very high38 Ų3822.1 Ų22.115%0.14911%0.109CC..SBendtrans-144.2-10.9-169.960.7-95.6000116.5D88 P206 N251D88-Y90 HydrophobicContact CB-CD1 4.37Å; D88-Y90 HydrophobicContact CB-CE1 4.09Å; D88-Y90 PolarHBondContact OD1-N 2.85Å; Y90-P206 HydrophobicContact CE1-CB 4.17Å; Y90-N251 WeakPolarHBondContact CA-ND2 3.38Å; Y90-N251 PolarHBondContact O-ND2 2.86Å
91H91.5Very high92.3Very high35 Ų3519.8 Ų19.816%0.16210%0.097CC..  trans-86.9146.7170-71.6109.9000111.8D81 D84 D88 Y252D81-H91 HydrophobicContact CB-CB 4.34Å; D84-H91 HydrophobicContact CB-CB 4.16Å; D88-H91 IonicContact OD1-CG 3.97Å; D88-H91 PolarHBondContact OD1-N 2.92Å; D88-H91 IonicContact OD1-ND1 3.87Å; D88-H91 IonicContact OD2-CE1 3.41Å; D88-H91 IonicContact OD2-CG 3.97Å; D88-H91 IonicContact OD2-ND1 3.46Å; D88-H91 PolarHBondContact OD2-ND1 2.86Å; H91-Y252 PolarHBondContact O-OH 2.81Å
92H94.8Very high92.7Very high7 Ų718.8 Ų18.83%0.0329%0.091CC..  trans-142.2145.3-176-62.9-61.7000110.6F94 F95 N251 Y252 F257 D294H92-F94 WeakPolarHBondContact CB-O 3.39Å; H92-F95 HydrophobicContact CB-CB 4.18Å; H92-N251 VanDerWaalsContact NE2-CB 3.27Å; H92-N251 WeakPolarHBondContact NE2-CB 3.38Å; H92-N251 PolarHBondContact NE2-ND2 2.87Å; H92-Y252 AromaticContact CE1-CE1 3.72Å; H92-Y252 AromaticContact CE1-CE2 3.85Å; H92-Y252 AromaticContact CE1-CZ 3.5Å; H92-Y252 VanDerWaalsContact CE1-CZ 3.5Å; H92-Y252 AromaticContact ND1-CE1 3.8Å; H92-Y252 AromaticContact ND1-CZ 3.59Å; H92-Y252 PolarHBondContact ND1-OH 3.21Å; H92-F257 AromaticContact CE1-CE2 3.89Å; H92-F257 AromaticContact CE1-CZ 3.4Å; H92-F257 WeakPolarHBondContact CE1-CZ 3.35Å; H92-F257 AromaticContact ND1-CZ 3.67Å; H92-D294 WeakPolarHBondContact CA-OD1 3.33Å; H92-D294 VanDerWaalsContact CB-OD1 3.3Å; H92-D294 WeakPolarHBondContact CB-OD1 3.5Å; H92-D294 IonicContact CG-OD1 2.93Å; H92-D294 IonicContact ND1-OD1 2.68Å
93T94.9Very high93.1Very high0 Ų019.5 Ų19.50%010%0.095CC..SBendtrans-74.1-35.6169.560.70000110.5I73 R74 L82 V85 D294 A298I73-T93 CarbonylContact C-O 3.48Å; I73-T93 WeakPolarHBondContact CA-O 3.33Å; R74-T93 PolarHBondContact N-O 3.38Å; L82-T93 HydrophobicContact CB-CG2 4.46Å; L82-T93 HydrophobicContact CD1-CG2 3.54Å; V85-T93 HydrophobicContact CB-CG2 4.36Å; V85-T93 HydrophobicContact CG2-CG2 3.65Å; T93-D294 VanDerWaalsContact CB-OD2 3.29Å; T93-D294 WeakPolarHBondContact CB-OD2 3.17Å; T93-D294 VanDerWaalsContact CG2-OD2 3.29Å; T93-D294 WeakPolarHBondContact CG2-OD2 3.32Å; T93-D294 PolarHBondContact N-OD1 3.32Å; T93-D294 PolarHBondContact N-OD2 3.48Å; T93-D294 PolarHBondContact OG1-OD2 3.33Å; T93-A298 VanDerWaalsContact OG1-CB 3.24Å; T93-A298 WeakPolarHBondContact OG1-CB 3.44Å
94F96.1Very high93.5Very high0 Ų018.8 Ų18.80%010%0.102CC..EExtended strand (participates in β ladder)trans-123.7130.2174165.1-98.6000110.4K71 C72 I73 H92 E96 R297 A298 V301 L351K71-F94 HydrophobicContact CB-CE2 3.79Å; K71-F94 HydrophobicContact CG-CE2 4.05Å; K71-F94 HydrophobicContact CG-CZ 4.34Å; C72-F94 WeakPolarHBondContact O-CA 3.45Å; C72-F94 WeakPolarHBondContact O-CD2 3.33Å; I73-F94 HydrophobicContact CG1-CB 4.29Å; I73-F94 HydrophobicContact CG1-CD2 4.15Å; H92-F94 WeakPolarHBondContact CB-O 3.39Å; F94-E96 HydrophobicContact CZ-CG 4.26Å; F94-R297 HydrophobicContact CD1-CB 3.98Å; F94-A298 HydrophobicContact CB-CB 3.55Å; F94-V301 HydrophobicContact CD1-CG2 4.41Å; F94-V301 HydrophobicContact CD2-CB 4.32Å; F94-V301 HydrophobicContact CD2-CG1 4.14Å; F94-V301 HydrophobicContact CD2-CG2 4.18Å; F94-V301 HydrophobicContact CE1-CG2 4.03Å; F94-V301 HydrophobicContact CE2-CB 4.24Å; F94-V301 HydrophobicContact CE2-CG1 3.9Å; F94-V301 HydrophobicContact CE2-CG2 3.79Å; F94-V301 HydrophobicContact CG-CG2 4.48Å; F94-V301 HydrophobicContact CZ-CG2 3.71Å; F94-L351 HydrophobicContact CE1-CD1 3.75Å; F94-L351 HydrophobicContact CZ-CD1 4.26Å
95F96.7Very high93.7Very high22 Ų2219 Ų1910%0.09610%0.103CC..EExtended strand (participates in β ladder)trans-144.7163.3174.364-83.7000110.3C72 R74 H92 M97 E239C72-F95 HydrophobicContact CB-CD1 4.49Å; C72-F95 HydrophobicContact CB-CD2 4.41Å; C72-F95 HydrophobicContact CB-CE1 4.02Å; C72-F95 HydrophobicContact CB-CE2 3.95Å; C72-F95 HydrophobicContact CB-CZ 3.72Å; C72-F95 PolarHBondContact N-O 2.66Å; C72-F95 PolarHBondContact O-N 3.47Å; C72-F95 VanDerWaalsContact O-N 3.1Å; R74-F95 HydrophobicContact CB-CE1 4.29Å; R74-F95 HydrophobicContact CG-CE1 3.76Å; R74-F95 HydrophobicContact CG-CZ 4.3Å; H92-F95 HydrophobicContact CB-CB 4.18Å; F95-M97 HydrophobicContact CE2-CB 4.18Å; F95-M97 HydrophobicContact CE2-CE 3.77Å; F95-M97 HydrophobicContact CZ-CE 4.1Å; F95-E239 WeakPolarHBondContact CB-OE2 3.15Å
96E97.7Very high93.8Very high0 Ų019.1 Ų19.10%010%0.103CC..EExtended strand (participates in β ladder)trans-94.5125.6172.7-73.2179.4-108.500110R7 T69 F94 F238 E239 L351 F355R7-E96 IonicContact CZ-OE1 2.82Å; R7-E96 IonicContact CZ-OE2 2.99Å; R7-E96 IonicContact NE-OE1 2.72Å; R7-E96 IonicContact NE-OE2 2.81Å; R7-E96 PolarHBondContact NE-OE2 3.49Å; R7-E96 IonicContact NH2-OE1 3.12Å; R7-E96 PolarHBondContact NH2-OE1 3Å; R7-E96 IonicContact NH2-OE2 3.03Å; R7-E96 PolarHBondContact NH2-OE2 2.9Å; T69-E96 PolarHBondContact OG1-OE2 3.35Å; F94-E96 HydrophobicContact CZ-CG 4.26Å; E96-F238 HydrophobicContact CB-CB 3.64Å; E96-F238 HydrophobicContact CB-CD1 3.83Å; E96-F238 HydrophobicContact CB-CG 4.03Å; E96-F238 HydrophobicContact CG-CD1 4.28Å; E96-F238 WeakPolarHBondContact O-CB 3.43Å; E96-F238 PolarHBondContact O-N 3.29Å; E96-F238 WeakPolarHBondContact OE1-CD1 3.3Å; E96-F238 WeakPolarHBondContact OE1-CE1 3.44Å; E96-E239 PolarHBondContact N-OE1 2.9Å; E96-E239 PolarHBondContact N-OE2 3.32Å; E96-L351 WeakPolarHBondContact OE1-CD2 3.49Å; E96-F355 HydrophobicContact CG-CE2 3.89Å; E96-F355 HydrophobicContact CG-CZ 3.96Å
97M97.2Very high94.1Very high16 Ų1620.4 Ų20.48%0.07911%0.109CC..EExtended strand (participates in β ladder)trans-98.5106.3170.1-170.7174.2-68.300108.7A41 G42 Q70 F95 G99A41-M97 HydrophobicContact CB-CE 4.32Å; A41-M97 HydrophobicContact CB-SD 4.31Å; G42-M97 PolarHBondContact N-SD 2.95Å; Q70-M97 PolarHBondContact N-O 2.78Å; Q70-M97 PolarHBondContact O-N 2.91Å; F95-M97 HydrophobicContact CE2-CB 4.18Å; F95-M97 HydrophobicContact CE2-CE 3.77Å; F95-M97 HydrophobicContact CZ-CE 4.1Å; M97-G99 PolarHBondContact O-N 3.21Å
98L98.2Very high94.4Very high0 Ų016.7 Ų16.70%09%0.092CC..EExtended strand (participates in β ladder)trans-71.2122169.8-62.8-175.3000108R7 F10 L236 F238R7-L98 HydrophobicContact CG-CD2 4.12Å; F10-L98 HydrophobicContact CB-CD1 3.93Å; F10-L98 HydrophobicContact CD1-CB 3.94Å; F10-L98 HydrophobicContact CD1-CD1 4.22Å; F10-L98 HydrophobicContact CD1-CD2 4.32Å; F10-L98 HydrophobicContact CD1-CG 4.38Å; F10-L98 HydrophobicContact CD2-CB 4.1Å; F10-L98 HydrophobicContact CD2-CD1 3.99Å; F10-L98 HydrophobicContact CE1-CB 3.74Å; F10-L98 HydrophobicContact CE2-CB 3.92Å; F10-L98 HydrophobicContact CG-CB 4.15Å; F10-L98 HydrophobicContact CG-CD1 3.8Å; F10-L98 HydrophobicContact CG-CG 4.42Å; F10-L98 HydrophobicContact CZ-CB 3.75Å; L98-L236 HydrophobicContact CB-CB 4.12Å; L98-L236 HydrophobicContact CB-CD2 3.82Å; L98-L236 HydrophobicContact CD1-CD2 3.52Å; L98-L236 HydrophobicContact CG-CD2 3.98Å; L98-L236 PolarHBondContact N-O 3.46Å; L98-L236 PolarHBondContact O-N 2.92Å; L98-F238 HydrophobicContact CD1-CB 4.41Å; L98-F238 HydrophobicContact CD1-CD2 3.68Å; L98-F238 HydrophobicContact CD1-CE2 4.5Å; L98-F238 HydrophobicContact CD1-CG 4.48Å; L98-F238 HydrophobicContact CD2-CD2 4.26Å; L98-F238 HydrophobicContact CG-CB 4.05Å; L98-F238 HydrophobicContact CG-CD2 4.06Å; L98-F238 HydrophobicContact CG-CG 4.42Å
99G97.2Very high94.8Very high0 Ų020.1 Ų20.10%011%0.108CC..EExtended strand (participates in β ladder)trans-135149.5-173.100000113.6V67 N68 M97 W101 C234V67-G99 CarbonylContact C-O 3.57Å; V67-G99 VanDerWaalsContact CA-O 3.31Å; V67-G99 WeakPolarHBondContact CA-O 3.2Å; V67-G99 WeakPolarHBondContact CG2-O 3.47Å; N68-G99 PolarHBondContact N-O 3.07Å; N68-G99 PolarHBondContact O-N 3.41Å; M97-G99 PolarHBondContact O-N 3.21Å; G99-W101 VanDerWaalsContact C-CZ3 3.48Å; G99-W101 VanDerWaalsContact CA-CH2 3.44Å; G99-W101 WeakPolarHBondContact O-CZ3 3.38Å; G99-C234 WeakPolarHBondContact CA-O 3.19Å
100N97.4Very high95.1Very high0 Ų022.7 Ų22.70%012%0.118CC..EExtended strand (participates in β ladder)trans-136.3131.8170.862.2-81000108.6F14 V66 V67 Y106 I111 W212 C234F14-N100 HydrophobicContact CD1-CB 4.03Å; F14-N100 HydrophobicContact CD2-CB 4.23Å; F14-N100 HydrophobicContact CE1-CB 4.03Å; F14-N100 HydrophobicContact CE2-CB 4.24Å; F14-N100 HydrophobicContact CG-CB 4.12Å; F14-N100 HydrophobicContact CZ-CB 4.13Å; F14-N100 WeakPolarHBondContact CZ-OD1 3.47Å; V66-N100 CarbonylContact O-C 3.56Å; V66-N100 WeakPolarHBondContact O-CA 3.42Å; V67-N100 HydrophobicContact CG2-CB 4.46Å; N100-Y106 PolarHBondContact ND2-OH 3.49Å; N100-I111 WeakPolarHBondContact ND2-CD1 3.47Å; N100-W212 WeakPolarHBondContact OD1-CZ2 3.32Å; N100-C234 PolarHBondContact ND2-SG 3.44Å; N100-C234 VanDerWaalsContact O-CB 3.28Å; N100-C234 WeakPolarHBondContact O-CB 3.45Å; N100-C234 PolarHBondContact O-N 3.47Å; N100-C234 WeakPolarHBondContact OD1-CB 3.43Å
101W97Very high95.4Very high0 Ų020.9 Ų20.90%011%0.111CC..EExtended strand (participates in β ladder)trans-122.6147.1-172.7-62.6-80.9000111.4F46 F50 R65 V66 N68 G99 F103 I232 D233F46-W101 AromaticContact CD2-CD2 3.78Å; F46-W101 HydrophobicContact CD2-CD2 3.78Å; F46-W101 HydrophobicContact CD2-CE3 4.14Å; F46-W101 HydrophobicContact CD2-CG 4Å; F46-W101 AromaticContact CE2-CD2 3.54Å; F46-W101 HydrophobicContact CE2-CD2 3.54Å; F46-W101 AromaticContact CE2-CE2 3.98Å; F46-W101 AromaticContact CE2-CE3 3.41Å; F46-W101 HydrophobicContact CE2-CE3 3.41Å; F46-W101 VanDerWaalsContact CE2-CE3 3.41Å; F46-W101 HydrophobicContact CE2-CG 4.17Å; F46-W101 HydrophobicContact CE2-CH2 4.14Å; F46-W101 HydrophobicContact CE2-CZ2 4.29Å; F46-W101 AromaticContact CE2-CZ3 3.71Å; F46-W101 HydrophobicContact CE2-CZ3 3.71Å; F46-W101 HydrophobicContact CZ-CE3 4.18Å; F46-W101 HydrophobicContact CZ-CZ3 4.42Å; F50-W101 AromaticContact CZ-CD1 3.72Å; F50-W101 HydrophobicContact CZ-CG 4.45Å; R65-W101 WeakPolarHBondContact CA-O 3.23Å; V66-W101 HydrophobicContact CB-CE3 4.2Å; V66-W101 HydrophobicContact CG1-CE3 3.92Å; V66-W101 HydrophobicContact CG1-CZ3 4.34Å; V66-W101 PolarHBondContact N-O 2.96Å; V66-W101 VanDerWaalsContact N-O 3.1Å; V66-W101 PolarHBondContact O-N 3.03Å; N68-W101 HydrophobicContact CB-CZ3 4.31Å; N68-W101 WeakPolarHBondContact OD1-CH2 3.35Å; N68-W101 VanDerWaalsContact OD1-CZ3 3.31Å; N68-W101 WeakPolarHBondContact OD1-CZ3 3.5Å; G99-W101 VanDerWaalsContact C-CZ3 3.48Å; G99-W101 VanDerWaalsContact CA-CH2 3.44Å; G99-W101 WeakPolarHBondContact O-CZ3 3.38Å; W101-F103 HydrophobicContact CB-CE1 3.97Å; W101-F103 HydrophobicContact CB-CE2 4.29Å; W101-F103 HydrophobicContact CB-CZ 3.67Å; W101-F103 HydrophobicContact CG-CZ 4.36Å; W101-I232 WeakPolarHBondContact CA-O 3.35Å; W101-D233 PolarHBondContact NE1-OD1 3.02Å
102S95.5Very high95.7Very high0 Ų019.2 Ų19.20%010%0.103CC..EExtended strand (participates in β ladder)trans-119.2129.5170.5-154.20000110.7Y106 H231 I232S102-Y106 VanDerWaalsContact CB-CE1 3.46Å; S102-Y106 WeakPolarHBondContact CB-O 3.3Å; S102-Y106 WeakPolarHBondContact OG-CD1 3.12Å; S102-Y106 WeakPolarHBondContact OG-CE1 3.34Å; S102-Y106 PolarHBondContact OG-N 2.84Å; S102-Y106 PolarHBondContact OG-O 2.61Å; S102-Y106 VanDerWaalsContact OG-O 3.11Å; S102-H231 VanDerWaalsContact O-CA 3.3Å; S102-H231 WeakPolarHBondContact O-CA 3.43Å; S102-H231 WeakPolarHBondContact O-CB 3.41Å; S102-I232 PolarHBondContact N-O 2.96Å; S102-I232 PolarHBondContact O-N 3.41Å; S102-I232 VanDerWaalsContact O-N 3.15Å
103F93.6Very high95.9Very high17 Ų1720.8 Ų20.88%0.07512%0.117CC..EExtended strand (participates in β ladder)trans-112.882.6176.7-49.5-59.4000110.3F46 I49 F50 L63 K64 V66 W101 H231F46-F103 HydrophobicContact CB-CE1 3.82Å; F46-F103 HydrophobicContact CB-CZ 3.74Å; F46-F103 HydrophobicContact CD1-CE2 4.34Å; F46-F103 AromaticContact CD1-CZ 3.73Å; F46-F103 HydrophobicContact CD1-CZ 3.73Å; F46-F103 AromaticContact CD2-CZ 3.98Å; F46-F103 HydrophobicContact CD2-CZ 3.98Å; F46-F103 HydrophobicContact CE1-CZ 4.37Å; F46-F103 HydrophobicContact CG-CE1 4.13Å; F46-F103 AromaticContact CG-CZ 3.53Å; F46-F103 HydrophobicContact CG-CZ 3.53Å; I49-F103 HydrophobicContact CB-CD1 4.15Å; I49-F103 HydrophobicContact CB-CE1 4.28Å; I49-F103 HydrophobicContact CD1-CD1 4.25Å; I49-F103 HydrophobicContact CD1-CD2 4Å; I49-F103 HydrophobicContact CD1-CE1 4.03Å; I49-F103 HydrophobicContact CD1-CE2 3.76Å; I49-F103 HydrophobicContact CD1-CG 4.25Å; I49-F103 HydrophobicContact CD1-CZ 3.8Å; I49-F103 HydrophobicContact CG2-CB 3.92Å; I49-F103 HydrophobicContact CG2-CD1 3.53Å; I49-F103 HydrophobicContact CG2-CD2 4.45Å; I49-F103 HydrophobicContact CG2-CE1 4.16Å; I49-F103 HydrophobicContact CG2-CG 3.71Å; F50-F103 HydrophobicContact CD1-CD1 4.41Å; F50-F103 HydrophobicContact CD1-CE1 4.4Å; F50-F103 AromaticContact CE1-CD1 3.95Å; F50-F103 HydrophobicContact CE1-CD1 3.95Å; F50-F103 AromaticContact CE1-CE1 3.73Å; F50-F103 HydrophobicContact CE1-CE1 3.73Å; F50-F103 HydrophobicContact CE2-CE1 4.23Å; F50-F103 HydrophobicContact CZ-CD1 4.33Å; F50-F103 AromaticContact CZ-CE1 3.63Å; F50-F103 HydrophobicContact CZ-CE1 3.63Å; L63-F103 HydrophobicContact CB-CD2 3.89Å; L63-F103 HydrophobicContact CB-CE2 3.9Å; K64-F103 PolarHBondContact O-N 3.48Å; V66-F103 HydrophobicContact CB-CE2 4.27Å; V66-F103 HydrophobicContact CG2-CE2 3.75Å; W101-F103 HydrophobicContact CB-CE1 3.97Å; W101-F103 HydrophobicContact CB-CE2 4.29Å; W101-F103 HydrophobicContact CB-CZ 3.67Å; W101-F103 HydrophobicContact CG-CZ 4.36Å; F103-H231 WeakPolarHBondContact CA-ND1 3.36Å
104G89.4Confident96Very high47 Ų4722.1 Ų22.149%0.48512%0.122SC..SBendtrans68.933.6179.600000114.6R230G104-R230 WeakPolarHBondContact CA-O 3.4Å; G104-R230 PolarHBondContact N-O 2.91Å
105D92.3Very high96.1Very high73 Ų7322.1 Ų22.139%0.3912%0.122SC..SBendtrans-123.4-84.9-174.1-169.5-16.1000112.5R65R65-D105 WeakPolarHBondContact CG-OD2 2.72Å; R65-D105 IonicContact CZ-OD1 2.64Å; R65-D105 IonicContact CZ-OD2 2.63Å; R65-D105 VanDerWaalsContact NE-CG 3.28Å; R65-D105 IonicContact NE-OD1 2.8Å; R65-D105 IonicContact NE-OD2 3.29Å; R65-D105 PolarHBondContact NE-OD2 3.4Å; R65-D105 IonicContact NH2-OD1 3.11Å; R65-D105 PolarHBondContact NH2-OD1 3.41Å; R65-D105 IonicContact NH2-OD2 3.65Å; R65-D105 PolarHBondContact NH2-OD2 2.85Å
106Y94Very high96.2Very high4 Ų422.2 Ų22.22%0.01612%0.122CC..  trans-97162.1176.169.2-94.9000111.4H20 R65 N100 S102 E110 I111 W114 I232H20-Y106 AromaticContact CE1-CE1 3.86Å; H20-Y106 AromaticContact NE2-CE1 3.25Å; H20-Y106 WeakPolarHBondContact NE2-CE1 3.42Å; H20-Y106 AromaticContact NE2-CZ 3.47Å; H20-Y106 PolarHBondContact NE2-OH 2.96Å; R65-Y106 HydrophobicContact CG-CD1 4.08Å; R65-Y106 HydrophobicContact CG-CE1 3.97Å; N100-Y106 PolarHBondContact ND2-OH 3.49Å; S102-Y106 VanDerWaalsContact CB-CE1 3.46Å; S102-Y106 WeakPolarHBondContact CB-O 3.3Å; S102-Y106 WeakPolarHBondContact OG-CD1 3.12Å; S102-Y106 WeakPolarHBondContact OG-CE1 3.34Å; S102-Y106 PolarHBondContact OG-N 2.84Å; S102-Y106 PolarHBondContact OG-O 2.61Å; S102-Y106 VanDerWaalsContact OG-O 3.11Å; Y106-E110 HydrophobicContact CD2-CB 4.25Å; Y106-E110 HydrophobicContact CG-CB 4.42Å; Y106-I111 HydrophobicContact CD2-CB 4.32Å; Y106-I111 HydrophobicContact CE2-CB 4.03Å; Y106-I111 HydrophobicContact CE2-CD1 4.25Å; Y106-I111 HydrophobicContact CE2-CG1 4.43Å; Y106-W114 AromaticContact CD1-CH2 3.89Å; Y106-W114 HydrophobicContact CD1-CH2 3.89Å; Y106-W114 AromaticContact CD1-CZ3 3.75Å; Y106-W114 HydrophobicContact CD1-CZ3 3.75Å; Y106-W114 HydrophobicContact CD2-CH2 4.29Å; Y106-W114 AromaticContact CD2-CZ3 3.82Å; Y106-W114 HydrophobicContact CD2-CZ3 3.82Å; Y106-W114 HydrophobicContact CE1-CH2 4.32Å; Y106-W114 AromaticContact CE1-CZ3 3.75Å; Y106-W114 HydrophobicContact CE1-CZ3 3.75Å; Y106-W114 HydrophobicContact CE2-CE3 4.35Å; Y106-W114 AromaticContact CE2-CZ3 3.82Å; Y106-W114 HydrophobicContact CE2-CZ3 3.82Å; Y106-W114 AromaticContact CG-CH2 3.87Å; Y106-W114 HydrophobicContact CG-CH2 3.87Å; Y106-W114 AromaticContact CG-CZ3 3.78Å; Y106-W114 HydrophobicContact CG-CZ3 3.78Å; Y106-W114 AromaticContact CZ-CZ3 3.77Å; Y106-I232 HydrophobicContact CD2-CG1 4.07Å; Y106-I232 HydrophobicContact CE2-CB 3.99Å; Y106-I232 HydrophobicContact CE2-CG1 3.92Å; Y106-I232 HydrophobicContact CE2-CG2 4Å
107Y93.9Very high96.2Very high27 Ų2723.9 Ų23.911%0.10613%0.13CC..  trans-138.2-141-179.2-158.4-126.3000111.8E109 E110 I111 F216 T218 R230 I232Y107-E109 PolarHBondContact O-N 2.99Å; Y107-E110 PolarHBondContact N-OE2 3.28Å; Y107-I111 WeakPolarHBondContact O-CG2 3.43Å; Y107-I111 PolarHBondContact O-N 3.43Å; Y107-I111 VanDerWaalsContact O-N 3.16Å; Y107-F216 HydrophobicContact CE2-CB 4.12Å; Y107-F216 WeakPolarHBondContact OH-CB 3.43Å; Y107-T218 VanDerWaalsContact OH-CG2 3.29Å; Y107-T218 WeakPolarHBondContact OH-CG2 3.48Å; Y107-R230 HydrophobicContact CD2-CB 3.82Å; Y107-R230 HydrophobicContact CE2-CB 3.72Å; Y107-R230 HydrophobicContact CE2-CG 4.32Å; Y107-R230 HydrophobicContact CG-CB 4.42Å; Y107-I232 HydrophobicContact CD2-CD1 3.46Å; Y107-I232 VanDerWaalsContact CD2-CD1 3.46Å; Y107-I232 HydrophobicContact CD2-CG1 3.98Å; Y107-I232 HydrophobicContact CE2-CD1 3.86Å; Y107-I232 HydrophobicContact CG-CD1 4.23Å
108K95.2Very high96.2Very high13 Ų1323.1 Ų23.16%0.05713%0.126CC..Hα-helixtrans-60.6-44.4-170.1-70.8172.3-179.7176.50114.2C112 D146 E148 I152 F216K108-C112 WeakPolarHBondContact O-CB 3.5Å; K108-C112 PolarHBondContact O-N 2.97Å; K108-C112 PolarHBondContact O-SG 3.38Å; K108-D146 WeakPolarHBondContact CE-OD2 3.5Å; K108-D146 IonicContact NZ-OD1 3.41Å; K108-D146 PolarHBondContact NZ-OD1 3.38Å; K108-D146 IonicContact NZ-OD2 2.65Å; K108-D146 PolarHBondContact NZ-OD2 2.94Å; K108-E148 HydrophobicContact CD-CG 4.06Å; K108-E148 WeakPolarHBondContact CD-OE2 3.43Å; K108-E148 IonicContact NZ-OE2 3.33Å; K108-E148 PolarHBondContact NZ-OE2 2.96Å; K108-I152 HydrophobicContact CB-CD1 3.51Å; K108-F216 HydrophobicContact CB-CE1 4.35Å; K108-F216 HydrophobicContact CD-CD1 4.48Å; K108-F216 HydrophobicContact CD-CD2 4.3Å; K108-F216 HydrophobicContact CD-CE2 4.39Å; K108-F216 HydrophobicContact CD-CG 4.34Å; K108-F216 HydrophobicContact CG-CD1 3.56Å; K108-F216 HydrophobicContact CG-CD2 4.19Å; K108-F216 HydrophobicContact CG-CE1 3.59Å; K108-F216 HydrophobicContact CG-CE2 4.19Å; K108-F216 HydrophobicContact CG-CG 3.88Å; K108-F216 HydrophobicContact CG-CZ 3.9Å
109E96.5Very high96.2Very high101 Ų10123.1 Ų23.147%0.47213%0.126SC..Hα-helixtrans-64.4-49-173.7-178168.1-164.800111Y107 A113 I152 K155Y107-E109 PolarHBondContact O-N 2.99Å; E109-A113 WeakPolarHBondContact O-CB 3.47Å; E109-A113 PolarHBondContact O-N 2.76Å; E109-I152 HydrophobicContact CB-CD1 4.25Å; E109-K155 IonicContact OE1-NZ 3.72Å; E109-K155 PolarHBondContact OE1-NZ 3Å
110E97.1Very high96.2Very high76 Ų7623.5 Ų23.536%0.35513%0.129SC..Hα-helixtrans-64.7-48.5178.8-62.887.6171.700111.6Y106 Y107 C112 A113 W114Y106-E110 HydrophobicContact CD2-CB 4.25Å; Y106-E110 HydrophobicContact CG-CB 4.42Å; Y107-E110 PolarHBondContact N-OE2 3.28Å; E110-C112 PolarHBondContact O-N 3.25Å; E110-A113 PolarHBondContact O-N 3.47Å; E110-W114 HydrophobicContact CB-CD2 4.22Å; E110-W114 HydrophobicContact CB-CE3 4.46Å; E110-W114 HydrophobicContact CB-CH2 3.95Å; E110-W114 HydrophobicContact CB-CZ2 3.66Å; E110-W114 HydrophobicContact CB-CZ3 4.32Å; E110-W114 HydrophobicContact CG-CH2 4.46Å; E110-W114 HydrophobicContact CG-CZ2 4.04Å; E110-W114 WeakPolarHBondContact O-CB 3.3Å; E110-W114 VanDerWaalsContact O-CD1 3.25Å; E110-W114 PolarHBondContact O-N 3.01Å
111I97.3Very high96.2Very high0 Ų029 Ų290%015%0.154CC..Hα-helixtrans-67.8-39.7-173.4-169.553.4000112.8F14 N100 Y106 Y107 A113 W114 A115 L214 F216 I232 C234F14-I111 HydrophobicContact CE1-CD1 4.46Å; N100-I111 WeakPolarHBondContact ND2-CD1 3.47Å; Y106-I111 HydrophobicContact CD2-CB 4.32Å; Y106-I111 HydrophobicContact CE2-CB 4.03Å; Y106-I111 HydrophobicContact CE2-CD1 4.25Å; Y106-I111 HydrophobicContact CE2-CG1 4.43Å; Y107-I111 WeakPolarHBondContact O-CG2 3.43Å; Y107-I111 PolarHBondContact O-N 3.43Å; Y107-I111 VanDerWaalsContact O-N 3.16Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 2.9Å; I111-W114 PolarHBondContact O-N 3.48Å; I111-A115 WeakPolarHBondContact O-CB 3.04Å; I111-A115 PolarHBondContact O-N 3.03Å; I111-L214 HydrophobicContact CG1-CD1 4.36Å; I111-L214 HydrophobicContact CG1-CD2 4.04Å; I111-F216 HydrophobicContact CG2-CE1 4.12Å; I111-I232 HydrophobicContact CB-CG2 4.44Å; I111-I232 HydrophobicContact CG1-CG2 4.1Å; I111-I232 HydrophobicContact CG2-CD1 4.14Å; I111-C234 VanDerWaalsContact CG1-SG 3.56Å
112C98Very high96.1Very high0 Ų030.4 Ų30.40%016%0.164CC..Hα-helixtrans-63.4-41.3176.8-640000110.6K108 E110 W116 I152 W153 I156K108-C112 WeakPolarHBondContact O-CB 3.5Å; K108-C112 PolarHBondContact O-N 2.97Å; K108-C112 PolarHBondContact O-SG 3.38Å; E110-C112 PolarHBondContact O-N 3.25Å; C112-W116 WeakPolarHBondContact O-CB 3.34Å; C112-W116 PolarHBondContact O-N 3.44Å; C112-W116 VanDerWaalsContact O-N 3.08Å; C112-I152 HydrophobicContact CB-CG2 3.57Å; C112-W153 HydrophobicContact CB-CD2 4.3Å; C112-W153 HydrophobicContact CB-CE3 4.11Å; C112-W153 HydrophobicContact CB-CH2 3.65Å; C112-W153 HydrophobicContact CB-CZ2 3.85Å; C112-W153 HydrophobicContact CB-CZ3 3.79Å; C112-W153 WeakPolarHBondContact O-CZ3 3.32Å; C112-I156 HydrophobicContact CB-CD1 3.74Å
113A97.9Very high96.2Very high40 Ų4031.2 Ų31.233%0.33117%0.167SC..Hα-helixtrans-64.9-46.917700000112E109 E110 I111 W116 E117 I156E109-A113 WeakPolarHBondContact O-CB 3.47Å; E109-A113 PolarHBondContact O-N 2.76Å; E110-A113 PolarHBondContact O-N 3.47Å; I111-A113 VanDerWaalsContact C-N 3.31Å; I111-A113 PolarHBondContact O-N 2.9Å; A113-W116 PolarHBondContact O-N 3.02Å; A113-E117 WeakPolarHBondContact O-CB 3.15Å; A113-E117 PolarHBondContact O-N 3.04Å; A113-I156 HydrophobicContact CB-CD1 4.46Å
114W98Very high96.3Very high29 Ų2937 Ų3711%0.1120%0.196CC..Hα-helixtrans-67.4-37.7-179.7-59.1-11.5000112.2F13 F14 Y18 H20 Y106 E110 I111 E117 L118F13-W114 HydrophobicContact CE1-CB 4.26Å; F13-W114 WeakPolarHBondContact CZ-O 3.49Å; F14-W114 HydrophobicContact CE1-CB 4.39Å; F14-W114 HydrophobicContact CE1-CE3 4.1Å; Y18-W114 AromaticContact CD1-CD2 3.9Å; Y18-W114 HydrophobicContact CD1-CD2 3.9Å; Y18-W114 AromaticContact CD1-CE2 3.34Å; Y18-W114 HydrophobicContact CD1-CG 4.35Å; Y18-W114 HydrophobicContact CD1-CH2 4.2Å; Y18-W114 AromaticContact CD1-CZ2 3.51Å; Y18-W114 HydrophobicContact CD1-CZ2 3.51Å; Y18-W114 AromaticContact CD1-NE1 3.56Å; Y18-W114 HydrophobicContact CD2-CD2 4.17Å; Y18-W114 HydrophobicContact CD2-CE3 4.46Å; Y18-W114 HydrophobicContact CD2-CG 4.35Å; Y18-W114 AromaticContact CE1-CD1 3.41Å; Y18-W114 VanDerWaalsContact CE1-CD1 3.41Å; Y18-W114 AromaticContact CE1-CD2 3.94Å; Y18-W114 HydrophobicContact CE1-CD2 3.94Å; Y18-W114 AromaticContact CE1-CE2 3.43Å; Y18-W114 VanDerWaalsContact CE1-CE2 3.43Å; Y18-W114 AromaticContact CE1-CG 3.92Å; Y18-W114 HydrophobicContact CE1-CG 3.92Å; Y18-W114 HydrophobicContact CE1-CZ2 4.03Å; Y18-W114 AromaticContact CE1-NE1 3.1Å; Y18-W114 HydrophobicContact CE2-CB 4.29Å; Y18-W114 HydrophobicContact CE2-CD2 4.22Å; Y18-W114 AromaticContact CE2-CG 3.94Å; Y18-W114 HydrophobicContact CE2-CG 3.94Å; Y18-W114 AromaticContact CG-CD2 3.99Å; Y18-W114 HydrophobicContact CG-CD2 3.99Å; Y18-W114 AromaticContact CG-CE2 3.88Å; Y18-W114 HydrophobicContact CG-CE3 4.26Å; Y18-W114 HydrophobicContact CG-CH2 4.3Å; Y18-W114 HydrophobicContact CG-CZ2 4.03Å; Y18-W114 HydrophobicContact CG-CZ3 4.41Å; Y18-W114 AromaticContact CZ-CD1 3.36Å; Y18-W114 AromaticContact CZ-CG 3.67Å; Y18-W114 AromaticContact CZ-NE1 3.62Å; H20-W114 AromaticContact CE1-CZ3 3.58Å; Y106-W114 AromaticContact CD1-CH2 3.89Å; Y106-W114 HydrophobicContact CD1-CH2 3.89Å; Y106-W114 AromaticContact CD1-CZ3 3.75Å; Y106-W114 HydrophobicContact CD1-CZ3 3.75Å; Y106-W114 HydrophobicContact CD2-CH2 4.29Å; Y106-W114 AromaticContact CD2-CZ3 3.82Å; Y106-W114 HydrophobicContact CD2-CZ3 3.82Å; Y106-W114 HydrophobicContact CE1-CH2 4.32Å; Y106-W114 AromaticContact CE1-CZ3 3.75Å; Y106-W114 HydrophobicContact CE1-CZ3 3.75Å; Y106-W114 HydrophobicContact CE2-CE3 4.35Å; Y106-W114 AromaticContact CE2-CZ3 3.82Å; Y106-W114 HydrophobicContact CE2-CZ3 3.82Å; Y106-W114 AromaticContact CG-CH2 3.87Å; Y106-W114 HydrophobicContact CG-CH2 3.87Å; Y106-W114 AromaticContact CG-CZ3 3.78Å; Y106-W114 HydrophobicContact CG-CZ3 3.78Å; Y106-W114 AromaticContact CZ-CZ3 3.77Å; E110-W114 HydrophobicContact CB-CD2 4.22Å; E110-W114 HydrophobicContact CB-CE3 4.46Å; E110-W114 HydrophobicContact CB-CH2 3.95Å; E110-W114 HydrophobicContact CB-CZ2 3.66Å; E110-W114 HydrophobicContact CB-CZ3 4.32Å; E110-W114 HydrophobicContact CG-CH2 4.46Å; E110-W114 HydrophobicContact CG-CZ2 4.04Å; E110-W114 WeakPolarHBondContact O-CB 3.3Å; E110-W114 VanDerWaalsContact O-CD1 3.25Å; E110-W114 PolarHBondContact O-N 3.01Å; I111-W114 PolarHBondContact O-N 3.48Å; W114-E117 PolarHBondContact O-N 3.42Å; W114-L118 WeakPolarHBondContact O-CB 3.5Å; W114-L118 PolarHBondContact O-N 3.49Å
115A98Very high96.7Very high0 Ų035.5 Ų35.50%018%0.177CC..Hα-helixtrans-63.1-45.4175.500000111.4I111 L118 L119 I187 W212 L214I111-A115 WeakPolarHBondContact O-CB 3.04Å; I111-A115 PolarHBondContact O-N 3.03Å; A115-L118 PolarHBondContact O-N 3.48Å; A115-L119 WeakPolarHBondContact O-CG 3.35Å; A115-L119 PolarHBondContact O-N 3.48Å; A115-I187 HydrophobicContact CB-CD1 3.89Å; A115-W212 HydrophobicContact CB-CD2 4.37Å; A115-W212 HydrophobicContact CB-CE3 3.82Å; A115-W212 HydrophobicContact CB-CH2 3.72Å; A115-W212 HydrophobicContact CB-CZ2 4.25Å; A115-W212 HydrophobicContact CB-CZ3 3.49Å; A115-W212 VanDerWaalsContact CB-CZ3 3.49Å; A115-L214 HydrophobicContact CB-CD1 4.14Å; A115-L214 HydrophobicContact CB-CD2 4.33Å
116W98Very high96.8Very high24 Ų2436.6 Ų36.69%0.09118%0.18CC..Hα-helixtrans-63.1-43176.2-167.5-107.5000112.5C112 A113 L119 T120 K127 L130 W153 I156 I158C112-W116 WeakPolarHBondContact O-CB 3.34Å; C112-W116 PolarHBondContact O-N 3.44Å; C112-W116 VanDerWaalsContact O-N 3.08Å; A113-W116 PolarHBondContact O-N 3.02Å; W116-L119 PolarHBondContact O-N 2.95Å; W116-T120 HydrophobicContact CD2-CG2 3.98Å; W116-T120 HydrophobicContact CE3-CG2 4.33Å; W116-T120 HydrophobicContact CG-CG2 4.43Å; W116-T120 HydrophobicContact CH2-CG2 4.39Å; W116-T120 HydrophobicContact CZ2-CG2 4.04Å; W116-T120 WeakPolarHBondContact O-CB 3.43Å; W116-T120 WeakPolarHBondContact O-CG2 3.32Å; W116-T120 PolarHBondContact O-N 2.98Å; W116-T120 PolarHBondContact O-OG1 3.46Å; W116-K127 HydrophobicContact CZ2-CB 4.09Å; W116-K127 HydrophobicContact CZ2-CD 4.38Å; W116-K127 HydrophobicContact CZ2-CG 4.12Å; W116-L130 HydrophobicContact CE3-CD1 4.18Å; W116-L130 HydrophobicContact CH2-CB 3.94Å; W116-L130 HydrophobicContact CH2-CD1 3.91Å; W116-L130 HydrophobicContact CZ3-CB 3.73Å; W116-L130 HydrophobicContact CZ3-CD1 3.62Å; W116-L130 HydrophobicContact CZ3-CG 4.31Å; W116-W153 HydrophobicContact CB-CZ3 4.3Å; W116-W153 HydrophobicContact CE3-CZ3 4.39Å; W116-I156 HydrophobicContact CB-CG2 4.1Å; W116-I156 VanDerWaalsContact CD1-CG2 3.42Å; W116-I156 HydrophobicContact CD2-CG2 4.11Å; W116-I156 HydrophobicContact CG-CG2 3.62Å; W116-I158 HydrophobicContact CD2-CD1 4.15Å; W116-I158 HydrophobicContact CD2-CG1 4.4Å; W116-I158 HydrophobicContact CE3-CD1 3.59Å; W116-I158 HydrophobicContact CE3-CG1 4.22Å; W116-I158 HydrophobicContact CH2-CD1 3.8Å; W116-I158 HydrophobicContact CH2-CG1 3.74Å; W116-I158 HydrophobicContact CZ2-CD1 4.32Å; W116-I158 HydrophobicContact CZ2-CG1 3.91Å; W116-I158 HydrophobicContact CZ3-CD1 3.4Å; W116-I158 HydrophobicContact CZ3-CG1 3.9Å
117E97.9Very high96.9Very high34 Ų3441.7 Ų41.716%0.15920%0.202CC..Hα-helixtrans-63.4-46.3177.9-163.3-157.7122.400111.5F13 K17 Y18 A113 W114 L119 E121 C122F13-E117 WeakPolarHBondContact CE2-OE1 3.49Å; F13-E117 HydrophobicContact CZ-CB 4.21Å; F13-E117 HydrophobicContact CZ-CG 4.49Å; K17-E117 VanDerWaalsContact NZ-CD 3.26Å; K17-E117 IonicContact NZ-OE1 2.55Å; K17-E117 PolarHBondContact NZ-OE1 3.43Å; K17-E117 IonicContact NZ-OE2 3.54Å; K17-E117 PolarHBondContact NZ-OE2 3Å; Y18-E117 PolarHBondContact OH-OE2 2.67Å; A113-E117 WeakPolarHBondContact O-CB 3.15Å; A113-E117 PolarHBondContact O-N 3.04Å; W114-E117 PolarHBondContact O-N 3.42Å; E117-L119 PolarHBondContact O-N 3.16Å; E117-E121 HydrophobicContact CG-CB 4.23Å; E117-E121 HydrophobicContact CG-CG 4.17Å; E117-E121 WeakPolarHBondContact CG-OE2 3.41Å; E117-E121 WeakPolarHBondContact O-CA 3.26Å; E117-E121 VanDerWaalsContact O-CB 3.31Å; E117-E121 WeakPolarHBondContact O-CB 3.43Å; E117-E121 PolarHBondContact O-N 3.37Å; E117-C122 PolarHBondContact O-N 3.2Å; E117-C122 VanDerWaalsContact O-N 3.15Å
118L97.9Very high97Very high0 Ų044.7 Ų44.70%022%0.22CC..Iπ-helixtrans-59.5-48.3177.9-179.864.1000111.3F10 F13 F14 W114 A115 C122 F123 W212F10-L118 HydrophobicContact CD2-CD2 3.59Å; F10-L118 HydrophobicContact CE2-CD2 4.01Å; F13-L118 HydrophobicContact CB-CD1 3.8Å; F13-L118 HydrophobicContact CD1-CB 4.06Å; F13-L118 HydrophobicContact CD1-CD1 3.76Å; F13-L118 HydrophobicContact CD1-CD2 4.22Å; F13-L118 HydrophobicContact CD1-CG 4.23Å; F13-L118 HydrophobicContact CD2-CD1 3.93Å; F13-L118 HydrophobicContact CE1-CB 3.65Å; F13-L118 HydrophobicContact CE1-CD1 4.23Å; F13-L118 HydrophobicContact CE1-CD2 4.49Å; F13-L118 HydrophobicContact CE1-CG 4.33Å; F13-L118 HydrophobicContact CE2-CB 4.32Å; F13-L118 HydrophobicContact CE2-CD1 4.38Å; F13-L118 HydrophobicContact CG-CD1 3.58Å; F13-L118 HydrophobicContact CG-CG 4.5Å; F13-L118 HydrophobicContact CZ-CB 3.79Å; F14-L118 HydrophobicContact CE2-CD2 3.95Å; W114-L118 WeakPolarHBondContact O-CB 3.5Å; W114-L118 PolarHBondContact O-N 3.49Å; A115-L118 PolarHBondContact O-N 3.48Å; L118-C122 HydrophobicContact CD1-CB 3.91Å; L118-C122 VanDerWaalsContact O-CB 3.26Å; L118-C122 WeakPolarHBondContact O-CB 3.43Å; L118-C122 PolarHBondContact O-N 2.71Å; L118-F123 HydrophobicContact CD1-CD2 4.06Å; L118-F123 HydrophobicContact CD1-CE2 3.66Å; L118-F123 HydrophobicContact CD1-CZ 4.26Å; L118-F123 HydrophobicContact CD2-CE2 4.01Å; L118-F123 HydrophobicContact CG-CD2 3.87Å; L118-F123 HydrophobicContact CG-CE2 3.66Å; L118-F123 WeakPolarHBondContact O-CD2 3.32Å; L118-F123 PolarHBondContact O-N 3.46Å; L118-W212 HydrophobicContact CB-CZ3 4.35Å; L118-W212 HydrophobicContact CD2-CH2 3.67Å; L118-W212 HydrophobicContact CD2-CZ3 3.79Å
119L98Very high97Very high0 Ų045.6 Ų45.60%022%0.223CC..Iπ-helixtrans-69.1-44.2-176.9-67.5175.8000111.9A115 W116 E117 F123 M124 L125 L130 I187 I211 W212 L236 L241A115-L119 WeakPolarHBondContact O-CG 3.35Å; A115-L119 PolarHBondContact O-N 3.48Å; W116-L119 PolarHBondContact O-N 2.95Å; E117-L119 PolarHBondContact O-N 3.16Å; L119-F123 HydrophobicContact CD2-CD2 4.47Å; L119-F123 CarbonylContact O-C 3.54Å; L119-M124 PolarHBondContact O-N 2.81Å; L119-L125 HydrophobicContact CB-CD1 4.35Å; L119-L125 HydrophobicContact CD2-CD1 3.94Å; L119-L125 WeakPolarHBondContact O-CB 3.48Å; L119-L125 WeakPolarHBondContact O-CG 3.43Å; L119-L125 PolarHBondContact O-N 3.03Å; L119-L130 HydrophobicContact CB-CD1 4.34Å; L119-L130 HydrophobicContact CD1-CD2 4.32Å; L119-I187 HydrophobicContact CD1-CD1 3.98Å; L119-I187 HydrophobicContact CD1-CG2 3.77Å; L119-I211 HydrophobicContact CD1-CD1 3.97Å; L119-I211 HydrophobicContact CD2-CD1 3.84Å; L119-W212 HydrophobicContact CD1-CE3 4.05Å; L119-W212 HydrophobicContact CD2-CE3 4.34Å; L119-W212 HydrophobicContact CG-CE3 4.14Å; L119-W212 HydrophobicContact CG-CZ3 4.2Å; L119-L236 HydrophobicContact CD2-CD1 4.48Å; L119-L241 HydrophobicContact CD2-CD1 4.17Å
120T97.5Very high97.1Very high9 Ų940.8 Ų40.86%0.05520%0.201CC..Iπ-helixtrans-97.2-27.9-167.668.20000114.3W116 M124 K127 L130W116-T120 HydrophobicContact CD2-CG2 3.98Å; W116-T120 HydrophobicContact CE3-CG2 4.33Å; W116-T120 HydrophobicContact CG-CG2 4.43Å; W116-T120 HydrophobicContact CH2-CG2 4.39Å; W116-T120 HydrophobicContact CZ2-CG2 4.04Å; W116-T120 WeakPolarHBondContact O-CB 3.43Å; W116-T120 WeakPolarHBondContact O-CG2 3.32Å; W116-T120 PolarHBondContact O-N 2.98Å; W116-T120 PolarHBondContact O-OG1 3.46Å; T120-M124 WeakPolarHBondContact O-CA 3.25Å; T120-K127 HydrophobicContact CG2-CG 3.7Å; T120-K127 WeakPolarHBondContact OG1-CE 3.08Å; T120-L130 HydrophobicContact CG2-CD1 3.49Å; T120-L130 VanDerWaalsContact CG2-CD1 3.49Å
121E96.7Very high97.1Very high114 Ų11437.2 Ų37.253%0.53318%0.184SC..Iπ-helixtrans-105.9-35.6-179-53.1-171.9-178.200112E117E117-E121 HydrophobicContact CG-CB 4.23Å; E117-E121 HydrophobicContact CG-CG 4.17Å; E117-E121 WeakPolarHBondContact CG-OE2 3.41Å; E117-E121 WeakPolarHBondContact O-CA 3.26Å; E117-E121 VanDerWaalsContact O-CB 3.31Å; E117-E121 WeakPolarHBondContact O-CB 3.43Å; E117-E121 PolarHBondContact O-N 3.37Å
122C95.6Very high97.2Very high30 Ų3037.2 Ų37.220%0.20318%0.184CC..Iπ-helixtrans-88-52.7178.8-65.60000111.8K9 F13 E117 L118 M124K9-C122 WeakPolarHBondContact CE-O 3.47Å; K9-C122 PolarHBondContact NZ-O 3.43Å; F13-C122 VanDerWaalsContact CD2-SG 3.52Å; F13-C122 VanDerWaalsContact CE2-SG 3.52Å; E117-C122 PolarHBondContact O-N 3.2Å; E117-C122 VanDerWaalsContact O-N 3.15Å; L118-C122 HydrophobicContact CD1-CB 3.91Å; L118-C122 VanDerWaalsContact O-CB 3.26Å; L118-C122 WeakPolarHBondContact O-CB 3.43Å; L118-C122 PolarHBondContact O-N 2.71Å; C122-M124 VanDerWaalsContact C-N 3.32Å
123F97.1Very high97.2Very high17 Ų1737.2 Ų37.28%0.07518%0.184CC..SBendtrans-83.9-8.8176.5-68.1-54.2000113.5M1 V6 K9 F10 L118 L119 L125 L241 I245M1-F123 HydrophobicContact SD-CD1 4.4Å; M1-F123 HydrophobicContact SD-CE1 4.17Å; V6-F123 HydrophobicContact CB-CE1 4.48Å; V6-F123 HydrophobicContact CG1-CE1 3.97Å; V6-F123 HydrophobicContact CG1-CZ 3.99Å; K9-F123 HydrophobicContact CB-CE1 4.03Å; K9-F123 HydrophobicContact CB-CZ 4.36Å; K9-F123 HydrophobicContact CD-CD1 4.17Å; K9-F123 HydrophobicContact CD-CE1 3.9Å; K9-F123 HydrophobicContact CG-CE1 4.18Å; F10-F123 HydrophobicContact CB-CZ 4.46Å; L118-F123 HydrophobicContact CD1-CD2 4.06Å; L118-F123 HydrophobicContact CD1-CE2 3.66Å; L118-F123 HydrophobicContact CD1-CZ 4.26Å; L118-F123 HydrophobicContact CD2-CE2 4.01Å; L118-F123 HydrophobicContact CG-CD2 3.87Å; L118-F123 HydrophobicContact CG-CE2 3.66Å; L118-F123 WeakPolarHBondContact O-CD2 3.32Å; L118-F123 PolarHBondContact O-N 3.46Å; L119-F123 HydrophobicContact CD2-CD2 4.47Å; L119-F123 CarbonylContact O-C 3.54Å; F123-L125 HydrophobicContact CB-CG 4.2Å; F123-L125 PolarHBondContact O-N 3.48Å; F123-L241 HydrophobicContact CD2-CD2 4.24Å; F123-L241 HydrophobicContact CE2-CD2 3.72Å; F123-L241 HydrophobicContact CZ-CD2 4Å; F123-I245 HydrophobicContact CB-CD1 4.21Å; F123-I245 HydrophobicContact CD1-CD1 3.47Å; F123-I245 VanDerWaalsContact CD1-CD1 3.47Å; F123-I245 HydrophobicContact CD2-CD1 4.44Å; F123-I245 HydrophobicContact CE1-CD1 3.87Å; F123-I245 HydrophobicContact CG-CD1 3.8Å; F123-I245 HydrophobicContact CZ-CD1 4.49Å
124M96.7Very high97.2Very high140 Ų14036.7 Ų36.769%0.6917%0.173SC*.  trans58.132.8177.1-57.2-65.9-69.400113L119 T120 C122L119-M124 PolarHBondContact O-N 2.81Å; T120-M124 WeakPolarHBondContact O-CA 3.25Å; C122-M124 VanDerWaalsContact C-N 3.32Å
125L96.9Very high97.1Very high14 Ų1435.5 Ų35.57%0.07317%0.169CC..  trans-68.7137.7172.8-58.8-172.4000110.1L119 F123 K127 Y189 I211 L241 V244 I245L119-L125 HydrophobicContact CB-CD1 4.35Å; L119-L125 HydrophobicContact CD2-CD1 3.94Å; L119-L125 WeakPolarHBondContact O-CB 3.48Å; L119-L125 WeakPolarHBondContact O-CG 3.43Å; L119-L125 PolarHBondContact O-N 3.03Å; F123-L125 HydrophobicContact CB-CG 4.2Å; F123-L125 PolarHBondContact O-N 3.48Å; L125-K127 PolarHBondContact O-N 3.49Å; L125-Y189 HydrophobicContact CB-CE2 4.12Å; L125-Y189 HydrophobicContact CD1-CD2 4.28Å; L125-Y189 HydrophobicContact CD1-CE2 4.42Å; L125-I211 HydrophobicContact CD1-CD1 4.3Å; L125-L241 HydrophobicContact CD1-CD1 4.36Å; L125-V244 HydrophobicContact CD1-CG1 4.21Å; L125-V244 HydrophobicContact CD2-CG1 3.79Å; L125-I245 HydrophobicContact CD2-CG1 4.29Å
126E95.9Very high96.9Very high96 Ų9637 Ų3745%0.44919%0.185SC..  trans-61.5118.8179.8-66.3174.4164.900110.8D128 R129E126-D128 PolarHBondContact O-N 3.01Å; E126-R129 HydrophobicContact CB-CB 4.41Å; E126-R129 HydrophobicContact CB-CG 4.1Å; E126-R129 WeakPolarHBondContact O-CB 3.35Å; E126-R129 PolarHBondContact O-N 2.98Å; E126-R129 WeakPolarHBondContact OE2-CD 3.34Å; E126-R129 IonicContact OE2-CZ 2.7Å; E126-R129 IonicContact OE2-NE 3.36Å; E126-R129 IonicContact OE2-NH1 3.61Å; E126-R129 PolarHBondContact OE2-NH1 3.49Å; E126-R129 VanDerWaalsContact OE2-NH1 3.14Å
127K95.7Very high96.6Very high111 Ų11136.4 Ų36.448%0.48319%0.186SC..G310 helixtrans-59.1-35.4-173.6-65.5-175.8175.1-178.30112.7W116 T120 L125 R129 L130W116-K127 HydrophobicContact CZ2-CB 4.09Å; W116-K127 HydrophobicContact CZ2-CD 4.38Å; W116-K127 HydrophobicContact CZ2-CG 4.12Å; T120-K127 HydrophobicContact CG2-CG 3.7Å; T120-K127 WeakPolarHBondContact OG1-CE 3.08Å; L125-K127 PolarHBondContact O-N 3.49Å; K127-R129 PolarHBondContact O-N 3.5Å; K127-L130 PolarHBondContact O-N 3.34Å
128D95.1Very high96.2Very high90 Ų9036.3 Ų36.348%0.48119%0.186SC..G310 helixtrans-79.610.8178.268.7-49.2000113.4E126 R162E126-D128 PolarHBondContact O-N 3.01Å; D128-R162 PolarHBondContact O-NH1 2.87Å; D128-R162 PolarHBondContact O-NH2 3.34Å
129R96.1Very high95.6Very high33 Ų3342.2 Ų42.213%0.12522%0.224CC..G310 helixtrans-113.7-5.6170.3-64.318063.5-176.1-5.7113E126 K127 Y189 D190 R191E126-R129 HydrophobicContact CB-CB 4.41Å; E126-R129 HydrophobicContact CB-CG 4.1Å; E126-R129 WeakPolarHBondContact O-CB 3.35Å; E126-R129 PolarHBondContact O-N 2.98Å; E126-R129 WeakPolarHBondContact OE2-CD 3.34Å; E126-R129 IonicContact OE2-CZ 2.7Å; E126-R129 IonicContact OE2-NE 3.36Å; E126-R129 IonicContact OE2-NH1 3.61Å; E126-R129 PolarHBondContact OE2-NH1 3.49Å; E126-R129 VanDerWaalsContact OE2-NH1 3.14Å; K127-R129 PolarHBondContact O-N 3.5Å; R129-Y189 HydrophobicContact CB-CD2 4.06Å; R129-Y189 HydrophobicContact CB-CE2 3.62Å; R129-Y189 PolarHBondContact NE-OH 3.42Å; R129-Y189 PolarHBondContact NH1-OH 3.22Å; R129-Y189 VanDerWaalsContact NH1-OH 3.12Å; R129-Y189 VanDerWaalsContact NH2-CE1 3.33Å; R129-Y189 PolarHBondContact NH2-OH 3.08Å; R129-Y189 WeakPolarHBondContact O-CA 3.5Å; R129-D190 PolarHBondContact NE-O 3.19Å; R129-D190 PolarHBondContact NH2-O 3.29Å; R129-D190 PolarHBondContact O-N 3.36Å; R129-R191 PolarHBondContact NH2-O 3.31Å
130L97.6Very high94.9Very high0 Ų047.3 Ų47.30%026%0.26CS..EExtended strand (participates in β ladder)trans-89.4141.6176.1-65.6166.5000111W116 L119 T120 K127 R162 I187 H188 Y189 I211W116-L130 HydrophobicContact CE3-CD1 4.18Å; W116-L130 HydrophobicContact CH2-CB 3.94Å; W116-L130 HydrophobicContact CH2-CD1 3.91Å; W116-L130 HydrophobicContact CZ3-CB 3.73Å; W116-L130 HydrophobicContact CZ3-CD1 3.62Å; W116-L130 HydrophobicContact CZ3-CG 4.31Å; L119-L130 HydrophobicContact CB-CD1 4.34Å; L119-L130 HydrophobicContact CD1-CD2 4.32Å; T120-L130 HydrophobicContact CG2-CD1 3.49Å; T120-L130 VanDerWaalsContact CG2-CD1 3.49Å; K127-L130 PolarHBondContact O-N 3.34Å; L130-R162 PolarHBondContact O-NH1 3.14Å; L130-I187 HydrophobicContact CD2-CG2 3.95Å; L130-H188 VanDerWaalsContact CA-O 3.31Å; L130-H188 WeakPolarHBondContact CA-O 3.44Å; L130-Y189 HydrophobicContact CD2-CD2 3.79Å; L130-Y189 HydrophobicContact CG-CD2 4.28Å; L130-I211 HydrophobicContact CD2-CD1 4.2Å
131Y98.3Very high93.9Very high1 Ų150.2 Ų50.20%0.00427%0.274CS..EExtended strand (participates in β ladder)trans-128.8141.8169.7-60.9-101.8000107.5R162 I187 H188 D190 R195 N196 A197 A198 V201Y131-R162 HydrophobicContact CD1-CB 3.92Å; Y131-R162 HydrophobicContact CD1-CG 3.85Å; Y131-R162 HydrophobicContact CE1-CB 4.33Å; Y131-R162 HydrophobicContact CE1-CG 3.74Å; Y131-R162 VanDerWaalsContact CZ-NH1 3.28Å; Y131-R162 PolarHBondContact OH-NH1 3.37Å; Y131-I187 WeakPolarHBondContact O-CA 3.46Å; Y131-H188 PolarHBondContact N-O 3.45Å; Y131-H188 PolarHBondContact O-N 2.92Å; Y131-D190 HydrophobicContact CE2-CB 3.97Å; Y131-R195 PolarHBondContact OH-O 2.92Å; Y131-N196 WeakPolarHBondContact OH-CA 3.39Å; Y131-A197 HydrophobicContact CE2-CB 4.12Å; Y131-A197 PolarHBondContact OH-N 3.46Å; Y131-A198 HydrophobicContact CD1-CB 4.32Å; Y131-A198 HydrophobicContact CE1-CB 4.08Å; Y131-V201 HydrophobicContact CD1-CG2 4.24Å; Y131-V201 HydrophobicContact CD2-CG2 4.46Å; Y131-V201 HydrophobicContact CG-CG2 3.93Å
132V98.3Very high93.3Very high0 Ų052.1 Ų52.10%029%0.288CS..EExtended strand (participates in β ladder)trans-122.5152.9177.5-600000109.3W153 I158 R162 I163 L164 E186 I187V132-W153 HydrophobicContact CB-CD2 4.1Å; V132-W153 HydrophobicContact CB-CG 4.32Å; V132-W153 HydrophobicContact CB-CZ2 4.29Å; V132-W153 HydrophobicContact CG1-CD2 4.15Å; V132-W153 HydrophobicContact CG1-CE3 4.24Å; V132-W153 HydrophobicContact CG1-CH2 4.18Å; V132-W153 HydrophobicContact CG1-CZ2 4.06Å; V132-W153 HydrophobicContact CG1-CZ3 4.26Å; V132-W153 HydrophobicContact CG2-CB 4.05Å; V132-W153 HydrophobicContact CG2-CD2 3.82Å; V132-W153 HydrophobicContact CG2-CE3 4.44Å; V132-W153 HydrophobicContact CG2-CG 3.62Å; V132-I158 HydrophobicContact CB-CD1 4.38Å; V132-I158 HydrophobicContact CG1-CD1 3.68Å; V132-I158 HydrophobicContact CG2-CD1 3.76Å; V132-I158 HydrophobicContact CG2-CG2 4.25Å; V132-R162 PolarHBondContact N-O 3.16Å; V132-R162 VanDerWaalsContact O-O 3.07Å; V132-I163 HydrophobicContact CG2-CB 4.25Å; V132-I163 HydrophobicContact CG2-CG1 3.76Å; V132-I163 HydrophobicContact CG2-CG2 4.28Å; V132-I163 WeakPolarHBondContact O-CA 3.43Å; V132-L164 PolarHBondContact O-N 3.33Å; V132-E186 CarbonylContact C-O 3.53Å; V132-E186 WeakPolarHBondContact CA-O 3.28Å; V132-I187 HydrophobicContact CG1-CG1 4.23Å; V132-I187 HydrophobicContact CG1-CG2 4.33Å
133T98Very high92.7Very high0 Ų052.1 Ų52.10%029%0.286CS..EExtended strand (participates in β ladder)trans-121165.7-178.464.50000111.1L164 F166 N171 S185 E186 V201T133-L164 CarbonylContact C-O 3.5Å; T133-L164 WeakPolarHBondContact CA-O 3.22Å; T133-L164 WeakPolarHBondContact CB-O 3.34Å; T133-L164 HydrophobicContact CG2-CB 4.47Å; T133-F166 HydrophobicContact CG2-CD2 3.66Å; T133-F166 HydrophobicContact CG2-CE2 3.56Å; T133-N171 VanDerWaalsContact CB-OD1 3.27Å; T133-N171 WeakPolarHBondContact CB-OD1 3.34Å; T133-N171 PolarHBondContact OG1-ND2 3.25Å; T133-N171 PolarHBondContact OG1-OD1 2.85Å; T133-S185 VanDerWaalsContact O-CB 3.26Å; T133-S185 WeakPolarHBondContact O-CB 3.25Å; T133-S185 PolarHBondContact O-OG 3.44Å; T133-E186 HydrophobicContact CG2-CB 4.49Å; T133-E186 PolarHBondContact N-O 3.36Å; T133-E186 WeakPolarHBondContact OG1-CA 3.43Å; T133-E186 WeakPolarHBondContact OG1-CB 3.48Å; T133-E186 PolarHBondContact OG1-N 2.86Å; T133-E186 PolarHBondContact OG1-O 3.41Å; T133-E186 VanDerWaalsContact OG1-O 3.11Å; T133-V201 HydrophobicContact CG2-CG1 3.88Å
134Y97.5Very high92.3Very high28 Ų2853.9 Ų53.911%0.1131%0.308CS..EExtended strand (participates in β ladder)trans-148.1152.1170.971.3-82.6000109.8G136 D146 L147 R150 I163 L164 P165 F166 N171Y134-G136 PolarHBondContact O-N 2.98Å; Y134-G136 VanDerWaalsContact O-N 3.1Å; Y134-D146 WeakPolarHBondContact CD2-O 3.3Å; Y134-L147 HydrophobicContact CE2-CD2 4.29Å; Y134-R150 HydrophobicContact CD1-CB 4.02Å; Y134-R150 HydrophobicContact CD1-CG 4.2Å; Y134-R150 HydrophobicContact CD2-CB 4.15Å; Y134-R150 HydrophobicContact CE1-CB 4.14Å; Y134-R150 HydrophobicContact CE1-CG 3.93Å; Y134-R150 HydrophobicContact CE2-CB 4.29Å; Y134-R150 HydrophobicContact CG-CB 4Å; Y134-I163 HydrophobicContact CD1-CG2 3.82Å; Y134-I163 HydrophobicContact CE1-CG2 4.13Å; Y134-L164 PolarHBondContact N-O 2.83Å; Y134-P165 HydrophobicContact CE1-CB 3.86Å; Y134-P165 HydrophobicContact CE1-CG 4.35Å; Y134-P165 HydrophobicContact CE2-CB 4.09Å; Y134-P165 WeakPolarHBondContact O-CA 3.4Å; Y134-F166 PolarHBondContact O-N 3.23Å; Y134-F166 VanDerWaalsContact O-N 3.14Å; Y134-N171 PolarHBondContact N-OD1 3Å; Y134-N171 PolarHBondContact O-OD1 2.97Å
135F96.3Very high92.2Very high5 Ų550.2 Ų50.22%0.02230%0.295CS..EExtended strand (participates in β ladder)trans-61.6116.6178.4-176.7-120.7000111.7G137 N138 L143 P145 D146 M168 N171 F172 P183F135-G137 VanDerWaalsContact CZ-C 3.47Å; F135-G137 PolarHBondContact O-N 2.95Å; F135-N138 HydrophobicContact CZ-CB 4.16Å; F135-L143 HydrophobicContact CE1-CB 3.95Å; F135-L143 HydrophobicContact CE1-CD1 4.42Å; F135-L143 HydrophobicContact CZ-CB 4.2Å; F135-L143 HydrophobicContact CZ-CD1 4.24Å; F135-P145 CarbonylContact O-C 3.5Å; F135-P145 VanDerWaalsContact O-CA 3.25Å; F135-P145 WeakPolarHBondContact O-CA 3.37Å; F135-D146 HydrophobicContact CB-CB 4.02Å; F135-D146 PolarHBondContact O-N 2.97Å; F135-M168 HydrophobicContact CE2-CG 4.3Å; F135-M168 HydrophobicContact CE2-SD 3.86Å; F135-M168 HydrophobicContact CZ-SD 3.75Å; F135-N171 HydrophobicContact CB-CB 4.07Å; F135-N171 WeakPolarHBondContact CB-O 3.47Å; F135-N171 HydrophobicContact CD2-CB 4.16Å; F135-N171 WeakPolarHBondContact CD2-O 3.49Å; F135-F172 HydrophobicContact CD2-CB 4.25Å; F135-F172 HydrophobicContact CE1-CD2 4.4Å; F135-F172 HydrophobicContact CE2-CB 3.94Å; F135-F172 HydrophobicContact CE2-CD2 4.13Å; F135-F172 HydrophobicContact CE2-CG 4.48Å; F135-F172 HydrophobicContact CZ-CD2 4.02Å; F135-P183 HydrophobicContact CB-CB 3.73Å; F135-P183 HydrophobicContact CD1-CB 3.96Å; F135-P183 HydrophobicContact CG-CB 3.96Å
136G94.7Very high92Very high32 Ų3250.2 Ų50.233%0.3330%0.295SS..  trans-78.3-2.1179.900000114.4Y134 F166Y134-G136 PolarHBondContact O-N 2.98Å; Y134-G136 VanDerWaalsContact O-N 3.1Å; G136-F166 WeakPolarHBondContact CA-O 3.14Å; G136-F166 PolarHBondContact N-O 3.39Å
137G91.6Very high92.1Very high11 Ų1149 Ų4911%0.11329%0.291CS..  trans93.2164.7-179.100000113.5F135 L143F135-G137 VanDerWaalsContact CZ-C 3.47Å; F135-G137 PolarHBondContact O-N 2.95Å; G137-L143 CarbonylContact C-O 3.46Å; G137-L143 WeakPolarHBondContact CA-O 3.44Å
138N88.5Confident92.1Very high32 Ų3248.1 Ų48.117%0.17129%0.289CS..BIsolated β-bridgetrans-140.498.1168.2-172.9-7.3000110.7F135 S140 M141 N142 L143 M168F135-N138 HydrophobicContact CZ-CB 4.16Å; N138-S140 PolarHBondContact O-N 3.44Å; N138-S140 PolarHBondContact OD1-N 2.98Å; N138-S140 PolarHBondContact OD1-OG 2.92Å; N138-M141 PolarHBondContact O-N 2.67Å; N138-M141 VanDerWaalsContact O-N 3.14Å; N138-N142 PolarHBondContact O-N 3.34Å; N138-L143 CarbonylContact C-O 3.6Å; N138-L143 HydrophobicContact CB-CB 4.39Å; N138-L143 PolarHBondContact N-O 3.46Å; N138-L143 PolarHBondContact O-N 3.46Å; N138-M168 HydrophobicContact CB-CG 3.68Å; N138-M168 HydrophobicContact CB-SD 3.98Å; N138-M168 WeakPolarHBondContact ND2-CG 3.34Å
139P85.3Confident92.1Very high123 Ų12343.9 Ų43.980%0.79927%0.266SS*.G310 helixtrans-57.4-30.7178.8-26.235.1000114.1M141 N142P139-M141 VanDerWaalsContact C-N 3.25Å; P139-M141 PolarHBondContact O-N 3.49Å; P139-N142 PolarHBondContact O-N 3.48Å
140S83.5Confident92.2Very high108 Ų10845.6 Ų45.676%0.75527%0.273SS*.G310 helixtrans-71.3-21.6-178.275.60000113.3N138N138-S140 PolarHBondContact O-N 3.44Å; N138-S140 PolarHBondContact OD1-N 2.98Å; N138-S140 PolarHBondContact OD1-OG 2.92Å
141M77.5Confident92.2Very high70 Ų7049.3 Ų49.335%0.34529%0.293SS..G310 helixtrans-1069.6175.7-64.1-176.878.700112.4N138 P139 L143 M168 L224N138-M141 PolarHBondContact O-N 2.67Å; N138-M141 VanDerWaalsContact O-N 3.14Å; P139-M141 VanDerWaalsContact C-N 3.25Å; P139-M141 PolarHBondContact O-N 3.49Å; M141-L143 VanDerWaalsContact C-N 3.26Å; M141-L143 HydrophobicContact CB-CD1 4.22Å; M141-L143 HydrophobicContact CB-CG 4.25Å; M141-L143 PolarHBondContact O-N 2.87Å; M141-M168 HydrophobicContact CE-CE 4.32Å; M141-M168 HydrophobicContact SD-CE 3.61Å; M141-M168 HydrophobicContact SD-SD 4.2Å; M141-L224 HydrophobicContact CB-CD1 4.1Å; M141-L224 HydrophobicContact CE-CD1 3.85Å; M141-L224 HydrophobicContact CE-CD2 4.17Å; M141-L224 HydrophobicContact CE-CG 4.26Å
142N82.3Confident92.2Very high153 Ų15350.1 Ų50.182%0.81830%0.297SS*.THydrogen-bonded Turntrans57.136.8-175.3-163.743.4000113.5N138 P139N138-N142 PolarHBondContact O-N 3.34Å; P139-N142 PolarHBondContact O-N 3.48Å
143L84.2Confident92.2Very high31 Ų3150.1 Ų50.116%0.16230%0.297CS..BIsolated β-bridgetrans-106.2122.5177.1-70.6176.4000110.4F135 G137 N138 M141 M168 F172 L224F135-L143 HydrophobicContact CE1-CB 3.95Å; F135-L143 HydrophobicContact CE1-CD1 4.42Å; F135-L143 HydrophobicContact CZ-CB 4.2Å; F135-L143 HydrophobicContact CZ-CD1 4.24Å; G137-L143 CarbonylContact C-O 3.46Å; G137-L143 WeakPolarHBondContact CA-O 3.44Å; N138-L143 CarbonylContact C-O 3.6Å; N138-L143 HydrophobicContact CB-CB 4.39Å; N138-L143 PolarHBondContact N-O 3.46Å; N138-L143 PolarHBondContact O-N 3.46Å; M141-L143 VanDerWaalsContact C-N 3.26Å; M141-L143 HydrophobicContact CB-CD1 4.22Å; M141-L143 HydrophobicContact CB-CG 4.25Å; M141-L143 PolarHBondContact O-N 2.87Å; L143-M168 HydrophobicContact CD1-SD 3.97Å; L143-F172 HydrophobicContact CD1-CD2 4.2Å; L143-F172 HydrophobicContact CD1-CE2 3.68Å; L143-F172 HydrophobicContact CD1-CZ 4.23Å; L143-L224 HydrophobicContact CD1-CD1 3.66Å; L143-L224 HydrophobicContact CD1-CD2 4.45Å; L143-L224 HydrophobicContact CD2-CD1 3.9Å; L143-L224 HydrophobicContact CG-CD1 3.73Å
144G89.3Confident92.2Very high53 Ų5353.3 Ų53.355%0.54631%0.313SS..  trans-80.1165.117600000113.3
145P93Very high92.2Very high64 Ų6459.3 Ų59.342%0.41634%0.34SS..  trans-65.6144.7172.526.7-33.3000112F135 L147F135-P145 CarbonylContact O-C 3.5Å; F135-P145 VanDerWaalsContact O-CA 3.25Å; F135-P145 WeakPolarHBondContact O-CA 3.37Å; P145-L147 HydrophobicContact CB-CD2 3.92Å; P145-L147 HydrophobicContact CB-CG 4.27Å; P145-L147 HydrophobicContact CG-CD1 4.46Å; P145-L147 HydrophobicContact CG-CD2 3.96Å; P145-L147 HydrophobicContact CG-CG 4.02Å; P145-L147 PolarHBondContact O-N 3.21Å
146D94.1Very high92.2Very high13 Ų1361.2 Ų61.27%0.0735%0.35CS..  trans-79.970.1174.4-166.8-9.9000111.4K108 Y134 F135 E148 C149 R150 F216K108-D146 WeakPolarHBondContact CE-OD2 3.5Å; K108-D146 IonicContact NZ-OD1 3.41Å; K108-D146 PolarHBondContact NZ-OD1 3.38Å; K108-D146 IonicContact NZ-OD2 2.65Å; K108-D146 PolarHBondContact NZ-OD2 2.94Å; Y134-D146 WeakPolarHBondContact CD2-O 3.3Å; F135-D146 HydrophobicContact CB-CB 4.02Å; F135-D146 PolarHBondContact O-N 2.97Å; D146-E148 PolarHBondContact O-N 2.83Å; D146-C149 HydrophobicContact CB-CB 4.35Å; D146-C149 PolarHBondContact O-N 3.46Å; D146-C149 PolarHBondContact OD1-N 3.31Å; D146-C149 VanDerWaalsContact OD1-N 3.07Å; D146-R150 PolarHBondContact O-N 3.49Å; D146-F216 WeakPolarHBondContact OD2-CD2 3.37Å
147L96.4Very high92.3Very high71 Ų7162.4 Ų62.437%0.37236%0.362SS..Hα-helixtrans-66.2-25178.9-57.2-175.8000112.6Y134 P145 R150 D151Y134-L147 HydrophobicContact CE2-CD2 4.29Å; P145-L147 HydrophobicContact CB-CD2 3.92Å; P145-L147 HydrophobicContact CB-CG 4.27Å; P145-L147 HydrophobicContact CG-CD1 4.46Å; P145-L147 HydrophobicContact CG-CD2 3.96Å; P145-L147 HydrophobicContact CG-CG 4.02Å; P145-L147 PolarHBondContact O-N 3.21Å; L147-R150 PolarHBondContact O-N 3.02Å; L147-D151 WeakPolarHBondContact O-CB 3.3Å; L147-D151 PolarHBondContact O-N 2.91Å
148E95.7Very high92.5Very high93 Ų9362.1 Ų62.144%0.43536%0.358SS..Hα-helixtrans-60.8-48.2174.5179.9-173.3-163.300110.5K108 D146 D151 I152K108-E148 HydrophobicContact CD-CG 4.06Å; K108-E148 WeakPolarHBondContact CD-OE2 3.43Å; K108-E148 IonicContact NZ-OE2 3.33Å; K108-E148 PolarHBondContact NZ-OE2 2.96Å; D146-E148 PolarHBondContact O-N 2.83Å; E148-D151 PolarHBondContact O-N 2.73Å; E148-I152 HydrophobicContact CG-CD1 4.08Å; E148-I152 WeakPolarHBondContact O-CD1 3.41Å; E148-I152 VanDerWaalsContact O-CG1 3.27Å; E148-I152 WeakPolarHBondContact O-CG1 3.42Å; E148-I152 PolarHBondContact O-N 2.85Å
149C96.6Very high92.8Very high0 Ų063.9 Ų63.90%037%0.371CS..Hα-helixtrans-62.2-44.4176.7-177.60000112D146 D151 I152 W153 S185 F216D146-C149 HydrophobicContact CB-CB 4.35Å; D146-C149 PolarHBondContact O-N 3.46Å; D146-C149 PolarHBondContact OD1-N 3.31Å; D146-C149 VanDerWaalsContact OD1-N 3.07Å; C149-D151 VanDerWaalsContact C-N 3.32Å; C149-D151 PolarHBondContact O-N 3.47Å; C149-I152 PolarHBondContact O-N 3.16Å; C149-W153 VanDerWaalsContact O-CD1 3.25Å; C149-W153 PolarHBondContact O-N 3.35Å; C149-W153 PolarHBondContact SG-NE1 2.98Å; C149-W153 VanDerWaalsContact SG-NE1 3.4Å; C149-S185 VanDerWaalsContact SG-CB 3.59Å; C149-F216 HydrophobicContact CB-CE2 4.02Å; C149-F216 HydrophobicContact CB-CZ 4.42Å
150R97.5Very high93.3Very high70 Ų7063.3 Ų63.326%0.26436%0.361SS..Hα-helixtrans-55.5-47174.7-177.2-157.866.9-169.2-4.8111.7Y134 D146 L147 I152 W153 L154 I163Y134-R150 HydrophobicContact CD1-CB 4.02Å; Y134-R150 HydrophobicContact CD1-CG 4.2Å; Y134-R150 HydrophobicContact CD2-CB 4.15Å; Y134-R150 HydrophobicContact CE1-CB 4.14Å; Y134-R150 HydrophobicContact CE1-CG 3.93Å; Y134-R150 HydrophobicContact CE2-CB 4.29Å; Y134-R150 HydrophobicContact CG-CB 4Å; D146-R150 PolarHBondContact O-N 3.49Å; L147-R150 PolarHBondContact O-N 3.02Å; R150-I152 VanDerWaalsContact C-N 3.32Å; R150-I152 PolarHBondContact O-N 3.13Å; R150-W153 PolarHBondContact O-N 3.17Å; R150-L154 HydrophobicContact CG-CD1 4.26Å; R150-L154 WeakPolarHBondContact O-CG 3.24Å; R150-L154 PolarHBondContact O-N 3.32Å; R150-I163 HydrophobicContact CB-CG2 4.48Å; R150-I163 HydrophobicContact CG-CG2 3.9Å
151D97.8Very high93.8Very high77 Ų7762.2 Ų62.241%0.41235%0.347SS..Hα-helixtrans-68.9-33-176.5-67.4-10.5000111.8L147 E148 C149 L154 K155L147-D151 WeakPolarHBondContact O-CB 3.3Å; L147-D151 PolarHBondContact O-N 2.91Å; E148-D151 PolarHBondContact O-N 2.73Å; C149-D151 VanDerWaalsContact C-N 3.32Å; C149-D151 PolarHBondContact O-N 3.47Å; D151-L154 PolarHBondContact O-N 3.48Å; D151-K155 WeakPolarHBondContact O-CB 3Å; D151-K155 PolarHBondContact O-N 2.98Å
152I98Very high94.8Very high18 Ų1860.3 Ų60.39%0.09234%0.336CS..Hα-helixtrans-63.3-46171.1-69161.4000110.8K108 E109 C112 E148 C149 R150 L154 K155 I156K108-I152 HydrophobicContact CB-CD1 3.51Å; E109-I152 HydrophobicContact CB-CD1 4.25Å; C112-I152 HydrophobicContact CB-CG2 3.57Å; E148-I152 HydrophobicContact CG-CD1 4.08Å; E148-I152 WeakPolarHBondContact O-CD1 3.41Å; E148-I152 VanDerWaalsContact O-CG1 3.27Å; E148-I152 WeakPolarHBondContact O-CG1 3.42Å; E148-I152 PolarHBondContact O-N 2.85Å; C149-I152 PolarHBondContact O-N 3.16Å; R150-I152 VanDerWaalsContact C-N 3.32Å; R150-I152 PolarHBondContact O-N 3.13Å; I152-L154 VanDerWaalsContact C-N 3.34Å; I152-L154 PolarHBondContact O-N 3.18Å; I152-K155 WeakPolarHBondContact O-CB 3.4Å; I152-K155 PolarHBondContact O-N 2.94Å; I152-K155 VanDerWaalsContact O-N 3.15Å; I152-I156 HydrophobicContact CG2-CD1 3.98Å; I152-I156 WeakPolarHBondContact O-CG1 3.5Å; I152-I156 PolarHBondContact O-N 3.15Å
153W98.1Very high95.5Very high0 Ų053.3 Ų53.30%030%0.299CS..Hα-helixtrans-63-39.1176.8-72.2130.5000113.1C112 W116 V132 C149 R150 K155 I156 G157 I158 I163 S185 I187 L214C112-W153 HydrophobicContact CB-CD2 4.3Å; C112-W153 HydrophobicContact CB-CE3 4.11Å; C112-W153 HydrophobicContact CB-CH2 3.65Å; C112-W153 HydrophobicContact CB-CZ2 3.85Å; C112-W153 HydrophobicContact CB-CZ3 3.79Å; C112-W153 WeakPolarHBondContact O-CZ3 3.32Å; W116-W153 HydrophobicContact CB-CZ3 4.3Å; W116-W153 HydrophobicContact CE3-CZ3 4.39Å; V132-W153 HydrophobicContact CB-CD2 4.1Å; V132-W153 HydrophobicContact CB-CG 4.32Å; V132-W153 HydrophobicContact CB-CZ2 4.29Å; V132-W153 HydrophobicContact CG1-CD2 4.15Å; V132-W153 HydrophobicContact CG1-CE3 4.24Å; V132-W153 HydrophobicContact CG1-CH2 4.18Å; V132-W153 HydrophobicContact CG1-CZ2 4.06Å; V132-W153 HydrophobicContact CG1-CZ3 4.26Å; V132-W153 HydrophobicContact CG2-CB 4.05Å; V132-W153 HydrophobicContact CG2-CD2 3.82Å; V132-W153 HydrophobicContact CG2-CE3 4.44Å; V132-W153 HydrophobicContact CG2-CG 3.62Å; C149-W153 VanDerWaalsContact O-CD1 3.25Å; C149-W153 PolarHBondContact O-N 3.35Å; C149-W153 PolarHBondContact SG-NE1 2.98Å; C149-W153 VanDerWaalsContact SG-NE1 3.4Å; R150-W153 PolarHBondContact O-N 3.17Å; W153-K155 VanDerWaalsContact C-N 3.34Å; W153-I156 HydrophobicContact CE3-CD1 3.59Å; W153-I156 HydrophobicContact CZ3-CD1 3.74Å; W153-I156 PolarHBondContact O-N 3.19Å; W153-G157 PolarHBondContact O-N 3.32Å; W153-I158 HydrophobicContact CB-CD1 4.37Å; W153-I158 HydrophobicContact CD2-CD1 4Å; W153-I158 HydrophobicContact CE3-CD1 3.35Å; W153-I158 HydrophobicContact CE3-CG1 4.46Å; W153-I158 HydrophobicContact CG-CD1 4.45Å; W153-I158 HydrophobicContact CZ3-CD1 3.93Å; W153-I158 PolarHBondContact O-N 3.16Å; W153-I163 HydrophobicContact CB-CD1 3.71Å; W153-I163 HydrophobicContact CB-CG1 4.1Å; W153-I163 HydrophobicContact CB-CG2 4.35Å; W153-S185 WeakPolarHBondContact CZ2-OG 3.29Å; W153-S185 PolarHBondContact NE1-OG 2.92Å; W153-I187 HydrophobicContact CH2-CD1 4.07Å; W153-I187 HydrophobicContact CZ2-CD1 4.46Å; W153-I187 HydrophobicContact CZ2-CG1 4.5Å; W153-L214 HydrophobicContact CH2-CD1 4.18Å; W153-L214 HydrophobicContact CZ2-CD1 3.9Å
154L97.7Very high96.2Very high67 Ų6753 Ų5335%0.35130%0.297SS..Hα-helixtrans-61.8-42.5172.3-73.3169000111.4R150 D151 I152 I156 G157 N160 I163R150-L154 HydrophobicContact CG-CD1 4.26Å; R150-L154 WeakPolarHBondContact O-CG 3.24Å; R150-L154 PolarHBondContact O-N 3.32Å; D151-L154 PolarHBondContact O-N 3.48Å; I152-L154 VanDerWaalsContact C-N 3.34Å; I152-L154 PolarHBondContact O-N 3.18Å; L154-I156 VanDerWaalsContact C-N 3.33Å; L154-I156 PolarHBondContact O-N 3.39Å; L154-G157 WeakPolarHBondContact O-CA 3.37Å; L154-G157 PolarHBondContact O-N 2.96Å; L154-N160 HydrophobicContact CD2-CB 4.22Å; L154-I163 HydrophobicContact CB-CD1 4.46Å; L154-I163 HydrophobicContact CD2-CD1 3.6Å; L154-I163 HydrophobicContact CG-CD1 3.69Å
155K97.6Very high96.5Very high154 Ų15454 Ų5467%0.6729%0.294SS*.Hα-helixtrans-64.3-35177.3-175.8-176.7176.9-1740112.7E109 D151 I152 W153 G157E109-K155 IonicContact OE1-NZ 3.72Å; E109-K155 PolarHBondContact OE1-NZ 3Å; D151-K155 WeakPolarHBondContact O-CB 3Å; D151-K155 PolarHBondContact O-N 2.98Å; I152-K155 WeakPolarHBondContact O-CB 3.4Å; I152-K155 PolarHBondContact O-N 2.94Å; I152-K155 VanDerWaalsContact O-N 3.15Å; W153-K155 VanDerWaalsContact C-N 3.34Å; K155-G157 PolarHBondContact O-N 3.44Å
156I97Very high96.7Very high46 Ų4652.7 Ų52.724%0.23628%0.282CS..Hα-helixtrans-66.6-22173.4-70165.1000111.5C112 A113 W116 I152 W153 L154 I158C112-I156 HydrophobicContact CB-CD1 3.74Å; A113-I156 HydrophobicContact CB-CD1 4.46Å; W116-I156 HydrophobicContact CB-CG2 4.1Å; W116-I156 VanDerWaalsContact CD1-CG2 3.42Å; W116-I156 HydrophobicContact CD2-CG2 4.11Å; W116-I156 HydrophobicContact CG-CG2 3.62Å; I152-I156 HydrophobicContact CG2-CD1 3.98Å; I152-I156 WeakPolarHBondContact O-CG1 3.5Å; I152-I156 PolarHBondContact O-N 3.15Å; W153-I156 HydrophobicContact CE3-CD1 3.59Å; W153-I156 HydrophobicContact CZ3-CD1 3.74Å; W153-I156 PolarHBondContact O-N 3.19Å; L154-I156 VanDerWaalsContact C-N 3.33Å; L154-I156 PolarHBondContact O-N 3.39Å; I156-I158 HydrophobicContact CG2-CG1 4.38Å
157G96.1Very high96.6Very high56 Ų5653.6 Ų53.658%0.57729%0.294SS*.THydrogen-bonded Turntrans101.219.1175.800000114.2W153 L154 K155W153-G157 PolarHBondContact O-N 3.32Å; L154-G157 WeakPolarHBondContact O-CA 3.37Å; L154-G157 PolarHBondContact O-N 2.96Å; K155-G157 PolarHBondContact O-N 3.44Å
158I96.3Very high96.3Very high6 Ų652.2 Ų52.23%0.03129%0.286CS..  trans-73.4131.2174.3-56.5-179.3000109W116 V132 W153 I156 N160 R162 I163W116-I158 HydrophobicContact CD2-CD1 4.15Å; W116-I158 HydrophobicContact CD2-CG1 4.4Å; W116-I158 HydrophobicContact CE3-CD1 3.59Å; W116-I158 HydrophobicContact CE3-CG1 4.22Å; W116-I158 HydrophobicContact CH2-CD1 3.8Å; W116-I158 HydrophobicContact CH2-CG1 3.74Å; W116-I158 HydrophobicContact CZ2-CD1 4.32Å; W116-I158 HydrophobicContact CZ2-CG1 3.91Å; W116-I158 HydrophobicContact CZ3-CD1 3.4Å; W116-I158 HydrophobicContact CZ3-CG1 3.9Å; V132-I158 HydrophobicContact CB-CD1 4.38Å; V132-I158 HydrophobicContact CG1-CD1 3.68Å; V132-I158 HydrophobicContact CG2-CD1 3.76Å; V132-I158 HydrophobicContact CG2-CG2 4.25Å; W153-I158 HydrophobicContact CB-CD1 4.37Å; W153-I158 HydrophobicContact CD2-CD1 4Å; W153-I158 HydrophobicContact CE3-CD1 3.35Å; W153-I158 HydrophobicContact CE3-CG1 4.46Å; W153-I158 HydrophobicContact CG-CD1 4.45Å; W153-I158 HydrophobicContact CZ3-CD1 3.93Å; W153-I158 PolarHBondContact O-N 3.16Å; I156-I158 HydrophobicContact CG2-CG1 4.38Å; I158-N160 PolarHBondContact O-N 3.09Å; I158-R162 HydrophobicContact CG2-CB 3.99Å; I158-I163 HydrophobicContact CB-CD1 4.09Å; I158-I163 HydrophobicContact CB-CG1 4.09Å; I158-I163 HydrophobicContact CG2-CD1 4.3Å; I158-I163 HydrophobicContact CG2-CG1 3.77Å
159P95Very high95.9Very high68 Ų6856.1 Ų56.144%0.44230%0.301SS..  trans-57.6138.2176.4-26.935.8000112.7N161 R162P159-N161 VanDerWaalsContact CB-OD1 3.23Å; P159-N161 WeakPolarHBondContact CB-OD1 3.5Å; P159-N161 PolarHBondContact O-N 3.43Å; P159-N161 VanDerWaalsContact O-N 3.1Å; P159-R162 WeakPolarHBondContact O-CA 3.35Å; P159-R162 WeakPolarHBondContact O-CB 3.46Å; P159-R162 PolarHBondContact O-N 3.32Å
160N95.2Very high95.6Very high111 Ų11157.8 Ų57.859%0.59431%0.31SS*.G310 helixtrans-57.3-30.7-176.5-17164.9000113.9L154 I158 R162 I163L154-N160 HydrophobicContact CD2-CB 4.22Å; I158-N160 PolarHBondContact O-N 3.09Å; N160-R162 PolarHBondContact O-N 2.63Å; N160-R162 VanDerWaalsContact O-N 3.17Å; N160-I163 PolarHBondContact O-N 3.05Å
161N95.3Very high95.5Very high86 Ų8654.4 Ų54.446%0.4630%0.298SS..G310 helixtrans-74.13.6176.167.8-24.6000114.2P159 N196P159-N161 VanDerWaalsContact CB-OD1 3.23Å; P159-N161 WeakPolarHBondContact CB-OD1 3.5Å; P159-N161 PolarHBondContact O-N 3.43Å; P159-N161 VanDerWaalsContact O-N 3.1Å; N161-N196 PolarHBondContact ND2-ND2 2.85Å
162R96.8Very high95.1Very high29 Ų2951.4 Ų51.411%0.10928%0.281CS..G310 helixtrans-122.15175.7-62.1175.8171.5-100.70.8112.8D128 L130 Y131 V132 I158 P159 N160D128-R162 PolarHBondContact O-NH1 2.87Å; D128-R162 PolarHBondContact O-NH2 3.34Å; L130-R162 PolarHBondContact O-NH1 3.14Å; Y131-R162 HydrophobicContact CD1-CB 3.92Å; Y131-R162 HydrophobicContact CD1-CG 3.85Å; Y131-R162 HydrophobicContact CE1-CB 4.33Å; Y131-R162 HydrophobicContact CE1-CG 3.74Å; Y131-R162 VanDerWaalsContact CZ-NH1 3.28Å; Y131-R162 PolarHBondContact OH-NH1 3.37Å; V132-R162 PolarHBondContact N-O 3.16Å; V132-R162 VanDerWaalsContact O-O 3.07Å; I158-R162 HydrophobicContact CG2-CB 3.99Å; P159-R162 WeakPolarHBondContact O-CA 3.35Å; P159-R162 WeakPolarHBondContact O-CB 3.46Å; P159-R162 PolarHBondContact O-N 3.32Å; N160-R162 PolarHBondContact O-N 2.63Å; N160-R162 VanDerWaalsContact O-N 3.17Å
163I97.9Very high94.6Very high7 Ų752.2 Ų52.24%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-110.4102.6174.2-55.4171.6000106.8V132 Y134 R150 W153 L154 I158 N160V132-I163 HydrophobicContact CG2-CB 4.25Å; V132-I163 HydrophobicContact CG2-CG1 3.76Å; V132-I163 HydrophobicContact CG2-CG2 4.28Å; V132-I163 WeakPolarHBondContact O-CA 3.43Å; Y134-I163 HydrophobicContact CD1-CG2 3.82Å; Y134-I163 HydrophobicContact CE1-CG2 4.13Å; R150-I163 HydrophobicContact CB-CG2 4.48Å; R150-I163 HydrophobicContact CG-CG2 3.9Å; W153-I163 HydrophobicContact CB-CD1 3.71Å; W153-I163 HydrophobicContact CB-CG1 4.1Å; W153-I163 HydrophobicContact CB-CG2 4.35Å; L154-I163 HydrophobicContact CB-CD1 4.46Å; L154-I163 HydrophobicContact CD2-CD1 3.6Å; L154-I163 HydrophobicContact CG-CD1 3.69Å; I158-I163 HydrophobicContact CB-CD1 4.09Å; I158-I163 HydrophobicContact CB-CG1 4.09Å; I158-I163 HydrophobicContact CG2-CD1 4.3Å; I158-I163 HydrophobicContact CG2-CG1 3.77Å; N160-I163 PolarHBondContact O-N 3.05Å
164L97.8Very high93.8Very high24 Ų2455 Ų5513%0.12630%0.296CS..EExtended strand (participates in β ladder)trans-113132.7-163.9-55175.8000112.1V132 T133 Y134 F166 A198 V201V132-L164 PolarHBondContact O-N 3.33Å; T133-L164 CarbonylContact C-O 3.5Å; T133-L164 WeakPolarHBondContact CA-O 3.22Å; T133-L164 WeakPolarHBondContact CB-O 3.34Å; T133-L164 HydrophobicContact CG2-CB 4.47Å; Y134-L164 PolarHBondContact N-O 2.83Å; L164-F166 HydrophobicContact CB-CD2 4.33Å; L164-F166 HydrophobicContact CB-CE2 3.63Å; L164-F166 HydrophobicContact CB-CZ 4.36Å; L164-F166 HydrophobicContact CD1-CE2 4.32Å; L164-A198 HydrophobicContact CD1-CB 3.94Å; L164-A198 WeakPolarHBondContact CD1-O 3.39Å; L164-A198 HydrophobicContact CD2-CB 3.93Å; L164-V201 HydrophobicContact CD1-CB 3.74Å; L164-V201 HydrophobicContact CD1-CG1 4.03Å; L164-V201 HydrophobicContact CD1-CG2 3.75Å
165P97.1Very high92.5Very high73 Ų7352 Ų5247%0.47428%0.28SS..EExtended strand (participates in β ladder)trans-81.5133.4174.328-29.2000112.5Y134Y134-P165 HydrophobicContact CE1-CB 3.86Å; Y134-P165 HydrophobicContact CE1-CG 4.35Å; Y134-P165 HydrophobicContact CE2-CB 4.09Å; Y134-P165 WeakPolarHBondContact O-CA 3.4Å
166F96.2Very high90.9Very high38 Ų3845.7 Ų45.717%0.16726%0.259CS..EExtended strand (participates in β ladder)trans-132159.1167.6-64.7-89.7000113.3T133 Y134 G136 L164 D170 N171 V201 N202T133-F166 HydrophobicContact CG2-CD2 3.66Å; T133-F166 HydrophobicContact CG2-CE2 3.56Å; Y134-F166 PolarHBondContact O-N 3.23Å; Y134-F166 VanDerWaalsContact O-N 3.14Å; G136-F166 WeakPolarHBondContact CA-O 3.14Å; G136-F166 PolarHBondContact N-O 3.39Å; L164-F166 HydrophobicContact CB-CD2 4.33Å; L164-F166 HydrophobicContact CB-CE2 3.63Å; L164-F166 HydrophobicContact CB-CZ 4.36Å; L164-F166 HydrophobicContact CD1-CE2 4.32Å; F166-D170 HydrophobicContact CB-CB 3.9Å; F166-D170 HydrophobicContact CG-CB 4.33Å; F166-N171 HydrophobicContact CB-CB 4.38Å; F166-N171 WeakPolarHBondContact CB-OD1 3.39Å; F166-V201 HydrophobicContact CE2-CG1 3.78Å; F166-V201 HydrophobicContact CZ-CB 4.22Å; F166-V201 HydrophobicContact CZ-CG1 3.89Å; F166-V201 WeakPolarHBondContact CZ-O 3.38Å; F166-N202 HydrophobicContact CD1-CB 4.12Å; F166-N202 WeakPolarHBondContact CD2-ND2 3.21Å; F166-N202 HydrophobicContact CE1-CB 3.75Å; F166-N202 HydrophobicContact CE2-CB 4.49Å; F166-N202 HydrophobicContact CZ-CB 3.95Å
167G93Very high89.1Confident31 Ų3152.5 Ų52.532%0.3229%0.29SS..  trans-84-161.9-175.700000114.1K169 D170 N171G167-K169 PolarHBondContact O-N 3.3Å; G167-K169 VanDerWaalsContact O-N 3.17Å; G167-D170 PolarHBondContact O-N 2.79Å; G167-N171 PolarHBondContact O-N 2.89Å
168M88.5Confident87.4Confident42 Ų4255.6 Ų55.621%0.20729%0.292CS..Hα-helixtrans-56.8-30.6179.8-69.9-70.4-67.500114.4F135 N138 M141 L143 D170 F172F135-M168 HydrophobicContact CE2-CG 4.3Å; F135-M168 HydrophobicContact CE2-SD 3.86Å; F135-M168 HydrophobicContact CZ-SD 3.75Å; N138-M168 HydrophobicContact CB-CG 3.68Å; N138-M168 HydrophobicContact CB-SD 3.98Å; N138-M168 WeakPolarHBondContact ND2-CG 3.34Å; M141-M168 HydrophobicContact CE-CE 4.32Å; M141-M168 HydrophobicContact SD-CE 3.61Å; M141-M168 HydrophobicContact SD-SD 4.2Å; L143-M168 HydrophobicContact CD1-SD 3.97Å; M168-D170 VanDerWaalsContact C-N 3.31Å; M168-D170 PolarHBondContact O-N 3.25Å; M168-F172 HydrophobicContact CB-CB 4.3Å; M168-F172 HydrophobicContact CE-CB 3.98Å; M168-F172 HydrophobicContact CE-CD1 3.27Å; M168-F172 HydrophobicContact CE-CD2 4.12Å; M168-F172 HydrophobicContact CE-CE1 3.68Å; M168-F172 HydrophobicContact CE-CE2 4.46Å; M168-F172 HydrophobicContact CE-CG 3.52Å; M168-F172 HydrophobicContact CE-CZ 4.26Å; M168-F172 WeakPolarHBondContact O-CB 3.46Å; M168-F172 HydrophobicContact SD-CB 3.63Å; M168-F172 HydrophobicContact SD-CD1 3.92Å; M168-F172 HydrophobicContact SD-CD2 3.7Å; M168-F172 HydrophobicContact SD-CE2 4.32Å; M168-F172 HydrophobicContact SD-CG 3.47Å; M168-F172 WeakPolarHBondContact SD-CG 3.44Å
169K88.4Confident86Confident175 Ų17555.6 Ų55.676%0.76129%0.293SS*.Hα-helixtrans-63.8-40-175.4-172.7-169.2169.4-157.30111.5G167G167-K169 PolarHBondContact O-N 3.3Å; G167-K169 VanDerWaalsContact O-N 3.17Å
170D90.8Very high85.1Confident35 Ų3552.3 Ų52.319%0.18727%0.272CS..Hα-helixtrans-114.2-34.6-169.2-36.6-65.5000111.9F166 G167 M168 N202F166-D170 HydrophobicContact CB-CB 3.9Å; F166-D170 HydrophobicContact CG-CB 4.33Å; G167-D170 PolarHBondContact O-N 2.79Å; M168-D170 VanDerWaalsContact C-N 3.31Å; M168-D170 PolarHBondContact O-N 3.25Å; D170-N202 HydrophobicContact CB-CB 4.41Å; D170-N202 WeakPolarHBondContact CB-ND2 3.33Å
171N94.2Very high84.7Confident0 Ų047.3 Ų47.30%025%0.245CC..Hα-helixtrans-115.626-177.3-70.3159.6000114.7T133 Y134 F135 F166 G167 P183 C184 E186T133-N171 VanDerWaalsContact CB-OD1 3.27Å; T133-N171 WeakPolarHBondContact CB-OD1 3.34Å; T133-N171 PolarHBondContact OG1-ND2 3.25Å; T133-N171 PolarHBondContact OG1-OD1 2.85Å; Y134-N171 PolarHBondContact N-OD1 3Å; Y134-N171 PolarHBondContact O-OD1 2.97Å; F135-N171 HydrophobicContact CB-CB 4.07Å; F135-N171 WeakPolarHBondContact CB-O 3.47Å; F135-N171 HydrophobicContact CD2-CB 4.16Å; F135-N171 WeakPolarHBondContact CD2-O 3.49Å; F166-N171 HydrophobicContact CB-CB 4.38Å; F166-N171 WeakPolarHBondContact CB-OD1 3.39Å; G167-N171 PolarHBondContact O-N 2.89Å; N171-P183 WeakPolarHBondContact O-CA 3.09Å; N171-C184 VanDerWaalsContact C-SG 3.52Å; N171-C184 VanDerWaalsContact CA-SG 3.54Å; N171-C184 PolarHBondContact O-N 3.03Å; N171-E186 PolarHBondContact ND2-OE2 3.39Å
172F89.9Confident84.3Confident13 Ų1343.2 Ų43.26%0.05722%0.223CC..EExtended strand (participates in β ladder)trans-134.2114.6167.6-164.6-85.7000110.1F135 L143 M168 E174 C181 L224F135-F172 HydrophobicContact CD2-CB 4.25Å; F135-F172 HydrophobicContact CE1-CD2 4.4Å; F135-F172 HydrophobicContact CE2-CB 3.94Å; F135-F172 HydrophobicContact CE2-CD2 4.13Å; F135-F172 HydrophobicContact CE2-CG 4.48Å; F135-F172 HydrophobicContact CZ-CD2 4.02Å; L143-F172 HydrophobicContact CD1-CD2 4.2Å; L143-F172 HydrophobicContact CD1-CE2 3.68Å; L143-F172 HydrophobicContact CD1-CZ 4.23Å; M168-F172 HydrophobicContact CB-CB 4.3Å; M168-F172 HydrophobicContact CE-CB 3.98Å; M168-F172 HydrophobicContact CE-CD1 3.27Å; M168-F172 HydrophobicContact CE-CD2 4.12Å; M168-F172 HydrophobicContact CE-CE1 3.68Å; M168-F172 HydrophobicContact CE-CE2 4.46Å; M168-F172 HydrophobicContact CE-CG 3.52Å; M168-F172 HydrophobicContact CE-CZ 4.26Å; M168-F172 WeakPolarHBondContact O-CB 3.46Å; M168-F172 HydrophobicContact SD-CB 3.63Å; M168-F172 HydrophobicContact SD-CD1 3.92Å; M168-F172 HydrophobicContact SD-CD2 3.7Å; M168-F172 HydrophobicContact SD-CE2 4.32Å; M168-F172 HydrophobicContact SD-CG 3.47Å; M168-F172 WeakPolarHBondContact SD-CG 3.44Å; F172-E174 HydrophobicContact CD1-CG 3.84Å; F172-E174 HydrophobicContact CE1-CG 3.8Å; F172-C181 HydrophobicContact CE1-CB 4.19Å; F172-L224 HydrophobicContact CE1-CD2 4.4Å; F172-L224 HydrophobicContact CZ-CD2 3.78Å
173W87Confident84.1Confident35 Ų3542.7 Ų42.713%0.13322%0.224CC..EExtended strand (participates in β ladder)trans-99.2133.3-171.7-169.795.6000111.4A41 M43 M175 C181 G182 C184 V215A41-W173 HydrophobicContact CB-CH2 4.26Å; A41-W173 HydrophobicContact CB-CZ2 3.84Å; M43-W173 HydrophobicContact CE-CH2 3.4Å; M43-W173 VanDerWaalsContact CE-CH2 3.4Å; M43-W173 HydrophobicContact CE-CZ3 3.56Å; M43-W173 HydrophobicContact CG-CH2 3.97Å; M43-W173 HydrophobicContact CG-CZ3 4.46Å; W173-M175 HydrophobicContact CH2-CB 3.61Å; W173-M175 HydrophobicContact CH2-CG 4.16Å; W173-M175 HydrophobicContact CZ3-CB 3.78Å; W173-C181 VanDerWaalsContact O-CA 3.3Å; W173-C181 WeakPolarHBondContact O-CA 3.47Å; W173-C181 VanDerWaalsContact O-CB 3.24Å; W173-C181 WeakPolarHBondContact O-CB 3.24Å; W173-G182 PolarHBondContact N-O 2.84Å; W173-G182 PolarHBondContact O-N 3.4Å; W173-G182 VanDerWaalsContact O-N 3.16Å; W173-C184 HydrophobicContact CB-CB 4.45Å; W173-V215 HydrophobicContact CB-CB 4.42Å; W173-V215 HydrophobicContact CB-CG1 3.8Å; W173-V215 HydrophobicContact CB-CG2 3.69Å; W173-V215 HydrophobicContact CD2-CG1 4.44Å; W173-V215 HydrophobicContact CD2-CG2 4.14Å; W173-V215 HydrophobicContact CE3-CG1 4.24Å; W173-V215 HydrophobicContact CG-CG1 4.29Å; W173-V215 HydrophobicContact CG-CG2 3.69Å
174E81.9Confident84Confident58 Ų5842.4 Ų42.427%0.27122%0.222SC..EExtended strand (participates in β ladder)trans-137.4129.8178.2-58176.1135.900110K78 F172 G176 C181K78-E174 IonicContact NZ-OE2 3.89Å; K78-E174 PolarHBondContact NZ-OE2 2.9Å; F172-E174 HydrophobicContact CD1-CG 3.84Å; F172-E174 HydrophobicContact CE1-CG 3.8Å; E174-G176 VanDerWaalsContact C-N 3.33Å; E174-G176 PolarHBondContact O-N 3.37Å; E174-C181 HydrophobicContact CB-CB 4.38Å; E174-C181 HydrophobicContact CG-CB 3.98Å
175M70.6Confident84Confident5 Ų541.2 Ų41.23%0.02522%0.216CC..SBendtrans-67.6-32.6176.9-172.8-166.967.700113.4L36 M43 N44 K47 W173 I178L36-M175 HydrophobicContact CD1-SD 4.06Å; M43-M175 HydrophobicContact CE-CB 3.43Å; M43-M175 VanDerWaalsContact CE-CB 3.43Å; M43-M175 HydrophobicContact CE-CG 3.45Å; M43-M175 VanDerWaalsContact CE-CG 3.45Å; M43-M175 HydrophobicContact CE-SD 3.26Å; M43-M175 WeakPolarHBondContact CE-SD 3.26Å; M43-M175 HydrophobicContact SD-SD 4.3Å; N44-M175 PolarHBondContact ND2-SD 3.32Å; K47-M175 HydrophobicContact CD-CE 4.06Å; K47-M175 HydrophobicContact CD-SD 4.14Å; K47-M175 VanDerWaalsContact CE-CE 3.46Å; W173-M175 HydrophobicContact CH2-CB 3.61Å; W173-M175 HydrophobicContact CH2-CG 4.16Å; W173-M175 HydrophobicContact CZ3-CB 3.78Å; M175-I178 WeakPolarHBondContact CE-O 3.44Å
176G63.5Low84Confident22 Ų2238.4 Ų38.423%0.22720%0.197CC..SBendtrans179.3-168.1-17200000110.5E174 I178E174-G176 VanDerWaalsContact C-N 3.33Å; E174-G176 PolarHBondContact O-N 3.37Å; G176-I178 PolarHBondContact O-N 2.79Å
177E59.5Low84.1Confident188 Ų18836.6 Ų36.688%0.87919%0.189SC*.SBendtrans-63.6-28.3178.3-65.8-174.5168.400113
178I60.3Low84.4Confident122 Ų12235.3 Ų35.363%0.62617%0.174SC*.EExtended strand (participates in β ladder)trans-134.1121.4178.4-52.3175.7000108.1M175 G176M175-I178 WeakPolarHBondContact CE-O 3.44Å; G176-I178 PolarHBondContact O-N 2.79Å
179G67.2Low84.8Confident5 Ų534 Ų345%0.05217%0.167CC..EExtended strand (participates in β ladder)trans165.8173.7178.500000112.8C181 T220G179-C181 PolarHBondContact O-N 2.93Å; G179-T220 CarbonylContact C-O 3.48Å; G179-T220 CarbonylContact O-C 3.33Å; G179-T220 VanDerWaalsContact O-C 3.22Å
180P76.8Confident85.2Confident0 Ų025.8 Ų25.80%013%0.132CC..EExtended strand (participates in β ladder)trans-62.6133.5171.829.1-32.8000109.4M43 F50 L51 I217 E219M43-P180 HydrophobicContact CE-CG 3.52Å; M43-P180 HydrophobicContact SD-CG 3.95Å; F50-P180 HydrophobicContact CB-CB 3.87Å; F50-P180 HydrophobicContact CB-CG 4.02Å; F50-P180 HydrophobicContact CD2-CG 4.34Å; F50-P180 HydrophobicContact CG-CB 4.41Å; F50-P180 HydrophobicContact CG-CG 4.42Å; L51-P180 HydrophobicContact CD2-CB 4.5Å; P180-I217 HydrophobicContact CB-CD1 4.32Å; P180-I217 HydrophobicContact CB-CG2 3.84Å; P180-E219 VanDerWaalsContact CA-O 3.29Å; P180-E219 WeakPolarHBondContact CA-O 3.28Å
181C85.2Confident85.4Confident5 Ų526.4 Ų26.43%0.03413%0.131CC..EExtended strand (participates in β ladder)trans-142.8168.4179.559.40000111.1F172 W173 E174 G179 T218 E219F172-C181 HydrophobicContact CE1-CB 4.19Å; W173-C181 VanDerWaalsContact O-CA 3.3Å; W173-C181 WeakPolarHBondContact O-CA 3.47Å; W173-C181 VanDerWaalsContact O-CB 3.24Å; W173-C181 WeakPolarHBondContact O-CB 3.24Å; E174-C181 HydrophobicContact CB-CB 4.38Å; E174-C181 HydrophobicContact CG-CB 3.98Å; G179-C181 PolarHBondContact O-N 2.93Å; C181-T218 PolarHBondContact O-N 3.15Å; C181-T218 VanDerWaalsContact O-N 3.09Å; C181-E219 PolarHBondContact N-O 3.24Å; C181-E219 PolarHBondContact O-N 3.07Å
182G88.6Confident85.4Confident0 Ų029.6 Ų29.60%015%0.15CC..EExtended strand (participates in β ladder)trans171173.317500000113.9W173W173-G182 PolarHBondContact N-O 2.84Å; W173-G182 PolarHBondContact O-N 3.4Å; W173-G182 VanDerWaalsContact O-N 3.16Å
183P92.7Very high85.5Confident18 Ų1831.7 Ų31.712%0.11717%0.171CC..EExtended strand (participates in β ladder)trans-63.1153.6173.228.4-34000110.6F135 N171 F216F135-P183 HydrophobicContact CB-CB 3.73Å; F135-P183 HydrophobicContact CD1-CB 3.96Å; F135-P183 HydrophobicContact CG-CB 3.96Å; N171-P183 WeakPolarHBondContact O-CA 3.09Å; P183-F216 HydrophobicContact CG-CB 4.36Å; P183-F216 HydrophobicContact CG-CD2 4.43Å; P183-F216 WeakPolarHBondContact O-CB 3.46Å; P183-F216 WeakPolarHBondContact O-CD2 3.37Å; P183-F216 PolarHBondContact O-N 3.47Å
184C95.3Very high85.7Confident1 Ų133.9 Ų33.91%0.00720%0.204CC..EExtended strand (participates in β ladder)trans-138.8168.7177.170.80000113.3N171 W173 N213 L214 V215N171-C184 VanDerWaalsContact C-SG 3.52Å; N171-C184 VanDerWaalsContact CA-SG 3.54Å; N171-C184 PolarHBondContact O-N 3.03Å; W173-C184 HydrophobicContact CB-CB 4.45Å; C184-N213 WeakPolarHBondContact CB-OD1 3.49Å; C184-N213 PolarHBondContact SG-OD1 3.34Å; C184-L214 CarbonylContact C-O 3.55Å; C184-L214 WeakPolarHBondContact CA-O 3.35Å; C184-L214 VanDerWaalsContact CB-O 3.24Å; C184-L214 WeakPolarHBondContact CB-O 3.42Å; C184-V215 HydrophobicContact CB-CB 4.2Å; C184-V215 HydrophobicContact CB-CG1 4.44Å; C184-V215 HydrophobicContact CB-CG2 3.87Å
185S97.7Very high86.3Confident0 Ų035.1 Ų35.10%021%0.206CC..EExtended strand (participates in β ladder)trans-128.4113174.8163.10000108.8T133 C149 W153 L214T133-S185 VanDerWaalsContact O-CB 3.26Å; T133-S185 WeakPolarHBondContact O-CB 3.25Å; T133-S185 PolarHBondContact O-OG 3.44Å; C149-S185 VanDerWaalsContact SG-CB 3.59Å; W153-S185 WeakPolarHBondContact CZ2-OG 3.29Å; W153-S185 PolarHBondContact NE1-OG 2.92Å; S185-L214 PolarHBondContact N-O 3.29Å; S185-L214 WeakPolarHBondContact O-CB 3.38Å; S185-L214 PolarHBondContact O-N 3.03Å
186E97.7Very high87.5Confident13 Ų1338.8 Ų38.86%0.06123%0.226CC..EExtended strand (participates in β ladder)trans-89.7140.7176.3-59169.1146.900111.2V132 T133 N171 H188 N202 E210 W212V132-E186 CarbonylContact C-O 3.53Å; V132-E186 WeakPolarHBondContact CA-O 3.28Å; T133-E186 HydrophobicContact CG2-CB 4.49Å; T133-E186 PolarHBondContact N-O 3.36Å; T133-E186 WeakPolarHBondContact OG1-CA 3.43Å; T133-E186 WeakPolarHBondContact OG1-CB 3.48Å; T133-E186 PolarHBondContact OG1-N 2.86Å; T133-E186 PolarHBondContact OG1-O 3.41Å; T133-E186 VanDerWaalsContact OG1-O 3.11Å; N171-E186 PolarHBondContact ND2-OE2 3.39Å; E186-H188 IonicContact OE2-CE1 3.42Å; E186-N202 PolarHBondContact OE2-ND2 3.28Å; E186-N202 PolarHBondContact OE2-OD1 2.9Å; E186-E210 HydrophobicContact CB-CG 4.17Å; E186-E210 HydrophobicContact CG-CG 4.39Å; E186-W212 CarbonylContact C-O 3.53Å; E186-W212 WeakPolarHBondContact CA-O 3.35Å
187I98.2Very high89.1Confident0 Ų037.8 Ų37.80%022%0.216CC..EExtended strand (participates in β ladder)trans-108.6122.8174-50.1179.9000108.5A115 L119 L130 Y131 V132 W153 I211 W212 L214A115-I187 HydrophobicContact CB-CD1 3.89Å; L119-I187 HydrophobicContact CD1-CD1 3.98Å; L119-I187 HydrophobicContact CD1-CG2 3.77Å; L130-I187 HydrophobicContact CD2-CG2 3.95Å; Y131-I187 WeakPolarHBondContact O-CA 3.46Å; V132-I187 HydrophobicContact CG1-CG1 4.23Å; V132-I187 HydrophobicContact CG1-CG2 4.33Å; W153-I187 HydrophobicContact CH2-CD1 4.07Å; W153-I187 HydrophobicContact CZ2-CD1 4.46Å; W153-I187 HydrophobicContact CZ2-CG1 4.5Å; I187-I211 HydrophobicContact CG2-CD1 4.47Å; I187-I211 HydrophobicContact CG2-CG1 4.4Å; I187-I211 VanDerWaalsContact O-CG1 3.28Å; I187-I211 WeakPolarHBondContact O-CG1 3.41Å; I187-I211 PolarHBondContact O-N 3.32Å; I187-W212 HydrophobicContact CB-CB 4.21Å; I187-W212 HydrophobicContact CD1-CB 4.32Å; I187-W212 HydrophobicContact CD1-CE3 4.21Å; I187-W212 HydrophobicContact CG1-CB 4.42Å; I187-W212 PolarHBondContact N-O 2.82Å; I187-W212 PolarHBondContact O-N 2.88Å; I187-L214 HydrophobicContact CD1-CD1 4.35Å
188H97.9Very high90.8Very high4 Ų430 Ų302%0.01918%0.183CC..EExtended strand (participates in β ladder)trans-111.4146.9-179-69.976.8000111.4L130 Y131 E186 V201 N202 V208 I209 E210L130-H188 VanDerWaalsContact CA-O 3.31Å; L130-H188 WeakPolarHBondContact CA-O 3.44Å; Y131-H188 PolarHBondContact N-O 3.45Å; Y131-H188 PolarHBondContact O-N 2.92Å; E186-H188 IonicContact OE2-CE1 3.42Å; H188-V201 HydrophobicContact CB-CG1 4.49Å; H188-V201 HydrophobicContact CB-CG2 4.43Å; H188-N202 PolarHBondContact CE1-OD1 3.5Å; H188-N202 PolarHBondContact NE2-OD1 3.05Å; H188-V208 HydrophobicContact CB-CG1 4.21Å; H188-I209 CarbonylContact C-O 3.48Å; H188-I209 VanDerWaalsContact CA-O 3.28Å; H188-I209 WeakPolarHBondContact CA-O 3.49Å; H188-E210 PolarHBondContact CD2-N 3.48Å
189Y97.2Very high92.5Very high16 Ų1628.9 Ų28.96%0.06319%0.186CC..EExtended strand (participates in β ladder)trans-121.2123.4174.4-173.4-94.8000111.1L125 R129 L130 I209 V244L125-Y189 HydrophobicContact CB-CE2 4.12Å; L125-Y189 HydrophobicContact CD1-CD2 4.28Å; L125-Y189 HydrophobicContact CD1-CE2 4.42Å; R129-Y189 HydrophobicContact CB-CD2 4.06Å; R129-Y189 HydrophobicContact CB-CE2 3.62Å; R129-Y189 PolarHBondContact NE-OH 3.42Å; R129-Y189 PolarHBondContact NH1-OH 3.22Å; R129-Y189 VanDerWaalsContact NH1-OH 3.12Å; R129-Y189 VanDerWaalsContact NH2-CE1 3.33Å; R129-Y189 PolarHBondContact NH2-OH 3.08Å; R129-Y189 WeakPolarHBondContact O-CA 3.5Å; L130-Y189 HydrophobicContact CD2-CD2 3.79Å; L130-Y189 HydrophobicContact CG-CD2 4.28Å; Y189-I209 PolarHBondContact N-O 2.88Å; Y189-I209 PolarHBondContact O-N 2.86Å; Y189-I209 VanDerWaalsContact O-N 3.12Å; Y189-V244 HydrophobicContact CD1-CB 4.37Å; Y189-V244 HydrophobicContact CD1-CG1 3.57Å; Y189-V244 HydrophobicContact CD1-CG2 3.82Å; Y189-V244 HydrophobicContact CD2-CG1 4.31Å; Y189-V244 HydrophobicContact CE1-CG1 3.48Å; Y189-V244 VanDerWaalsContact CE1-CG1 3.48Å; Y189-V244 HydrophobicContact CE1-CG2 4.38Å; Y189-V244 HydrophobicContact CE2-CG1 4.25Å; Y189-V244 HydrophobicContact CG-CG1 3.98Å; Y189-V244 HydrophobicContact CG-CG2 4.36Å
190D96.8Very high93.9Very high2 Ų230.6 Ų30.61%0.01119%0.194CC..EExtended strand (participates in β ladder)trans-82.2120.9173.1-175.63.9000110.3R129 Y131 V192 R195 A197 S207 V208R129-D190 PolarHBondContact NE-O 3.19Å; R129-D190 PolarHBondContact NH2-O 3.29Å; R129-D190 PolarHBondContact O-N 3.36Å; Y131-D190 HydrophobicContact CE2-CB 3.97Å; D190-V192 VanDerWaalsContact CG-O 3.24Å; D190-V192 PolarHBondContact O-N 2.95Å; D190-V192 PolarHBondContact OD1-N 3.49Å; D190-R195 IonicContact OD1-CZ 2.64Å; D190-R195 IonicContact OD1-NE 3.18Å; D190-R195 PolarHBondContact OD1-NE 2.95Å; D190-R195 IonicContact OD1-NH2 3.16Å; D190-R195 PolarHBondContact OD1-NH2 2.92Å; D190-R195 WeakPolarHBondContact OD2-CG 3.22Å; D190-R195 IonicContact OD2-CZ 3.68Å; D190-R195 IonicContact OD2-NE 3.7Å; D190-R195 PolarHBondContact OD2-NE 3.24Å; D190-R195 IonicContact OD2-NH2 3.19Å; D190-A197 HydrophobicContact CB-CB 4.2Å; D190-A197 WeakPolarHBondContact OD2-CB 3.36Å; D190-S207 CarbonylContact C-O 3.58Å; D190-V208 HydrophobicContact CB-CG2 4.26Å
191R94.4Very high94.8Very high48 Ų4830.6 Ų30.618%0.18119%0.194CC..SBendtrans-72.1-13.7176.6-67.2-175.4176.3-84.77.9113.3R129 S207 I209 S243 V248R129-R191 PolarHBondContact NH2-O 3.31Å; R191-S207 VanDerWaalsContact CB-O 3.31Å; R191-S207 WeakPolarHBondContact CB-O 3.44Å; R191-S207 WeakPolarHBondContact CG-O 3.34Å; R191-S207 PolarHBondContact N-O 3.39Å; R191-I209 VanDerWaalsContact NH2-CD1 3.29Å; R191-S243 PolarHBondContact NH2-OG 2.9Å; R191-V248 PolarHBondContact NH1-O 2.71Å
192V94.2Very high95.2Very high66 Ų6631.7 Ų31.740%0.420%0.2SC..SBendtrans-109.6112.3179.5-177.40000109.9D190 R195D190-V192 VanDerWaalsContact CG-O 3.24Å; D190-V192 PolarHBondContact O-N 2.95Å; D190-V192 PolarHBondContact OD1-N 3.49Å; V192-R195 HydrophobicContact CG1-CG 4.49Å
193A92.7Very high95.4Very high58 Ų5837.5 Ų37.548%0.47923%0.227SC..THydrogen-bonded Turntrans-71.4160.4177.800000112.5R195A193-R195 PolarHBondContact O-N 3.47Å
194G92.3Very high94.9Very high81 Ų8142.7 Ų42.784%0.83525%0.254SS*.THydrogen-bonded Turntrans79.912.7169.400000116.1
195R94.3Very high94.7Very high83 Ų8344.9 Ų44.931%0.31327%0.265SS..SBendtrans-128.6165.3175.369.1176.6-175.2178.7-2.9112.3Y131 D190 V192 A193 S207Y131-R195 PolarHBondContact OH-O 2.92Å; D190-R195 IonicContact OD1-CZ 2.64Å; D190-R195 IonicContact OD1-NE 3.18Å; D190-R195 PolarHBondContact OD1-NE 2.95Å; D190-R195 IonicContact OD1-NH2 3.16Å; D190-R195 PolarHBondContact OD1-NH2 2.92Å; D190-R195 WeakPolarHBondContact OD2-CG 3.22Å; D190-R195 IonicContact OD2-CZ 3.68Å; D190-R195 IonicContact OD2-NE 3.7Å; D190-R195 PolarHBondContact OD2-NE 3.24Å; D190-R195 IonicContact OD2-NH2 3.19Å; V192-R195 HydrophobicContact CG1-CG 4.49Å; A193-R195 PolarHBondContact O-N 3.47Å; R195-S207 PolarHBondContact NH2-OG 3.32Å
196N94.8Very high94.1Very high83 Ų8348.1 Ų48.144%0.44429%0.286SS..  trans-97.3116.6163.2-173.2-18000108.7Y131 N161 A198Y131-N196 WeakPolarHBondContact OH-CA 3.39Å; N161-N196 PolarHBondContact ND2-ND2 2.85Å; N196-A198 WeakPolarHBondContact OD1-CB 3.41Å; N196-A198 PolarHBondContact OD1-N 3.12Å
197A96.4Very high93.8Very high1 Ų148.5 Ų48.51%0.00829%0.29CS..  trans-107.817.2-177.200000112.9Y131 D190 S199 L200 V201 V208Y131-A197 HydrophobicContact CE2-CB 4.12Å; Y131-A197 PolarHBondContact OH-N 3.46Å; D190-A197 HydrophobicContact CB-CB 4.2Å; D190-A197 WeakPolarHBondContact OD2-CB 3.36Å; A197-S199 PolarHBondContact O-N 2.98Å; A197-S199 VanDerWaalsContact O-N 3.1Å; A197-L200 HydrophobicContact CB-CB 4.49Å; A197-L200 HydrophobicContact CB-CD1 4.23Å; A197-L200 WeakPolarHBondContact O-CB 3.29Å; A197-L200 PolarHBondContact O-N 3.36Å; A197-V201 PolarHBondContact O-N 2.73Å; A197-V208 HydrophobicContact CB-CG2 3.86Å
198A96.4Very high93.7Very high24 Ų2449 Ų4920%0.19829%0.293CS..G310 helixtrans-53.5-33.4178.200000113Y131 L164 N196 L200Y131-A198 HydrophobicContact CD1-CB 4.32Å; Y131-A198 HydrophobicContact CE1-CB 4.08Å; L164-A198 HydrophobicContact CD1-CB 3.94Å; L164-A198 WeakPolarHBondContact CD1-O 3.39Å; L164-A198 HydrophobicContact CD2-CB 3.93Å; N196-A198 WeakPolarHBondContact OD1-CB 3.41Å; N196-A198 PolarHBondContact OD1-N 3.12Å; A198-L200 PolarHBondContact O-N 2.64Å
199S96.2Very high93.5Very high98 Ų9849.2 Ų49.269%0.68529%0.294SS*.G310 helixtrans-74-9.7177.261.40000114.7A197 Q203A197-S199 PolarHBondContact O-N 2.98Å; A197-S199 VanDerWaalsContact O-N 3.1Å; S199-Q203 WeakPolarHBondContact O-CG 3.35Å
200L96.2Very high93.4Very high41 Ų4150.8 Ų50.822%0.21530%0.302CS..G310 helixtrans-105.3-11.4-179.1-57.1178.4000112.4A197 A198 N202 Q203 D205 V208A197-L200 HydrophobicContact CB-CB 4.49Å; A197-L200 HydrophobicContact CB-CD1 4.23Å; A197-L200 WeakPolarHBondContact O-CB 3.29Å; A197-L200 PolarHBondContact O-N 3.36Å; A198-L200 PolarHBondContact O-N 2.64Å; L200-N202 PolarHBondContact O-N 3.05Å; L200-Q203 WeakPolarHBondContact O-CB 3.25Å; L200-Q203 PolarHBondContact O-N 2.73Å; L200-D205 HydrophobicContact CB-CB 4.33Å; L200-V208 HydrophobicContact CB-CB 4.37Å; L200-V208 HydrophobicContact CB-CG2 3.84Å; L200-V208 HydrophobicContact CD1-CG2 4.19Å
201V96.1Very high93.4Very high1 Ų150.8 Ų50.81%0.00630%0.302CS..THydrogen-bonded Turntrans-63.4132.8175.2175.90000109.3Y131 T133 L164 F166 H188 A197 Q203 V208Y131-V201 HydrophobicContact CD1-CG2 4.24Å; Y131-V201 HydrophobicContact CD2-CG2 4.46Å; Y131-V201 HydrophobicContact CG-CG2 3.93Å; T133-V201 HydrophobicContact CG2-CG1 3.88Å; L164-V201 HydrophobicContact CD1-CB 3.74Å; L164-V201 HydrophobicContact CD1-CG1 4.03Å; L164-V201 HydrophobicContact CD1-CG2 3.75Å; F166-V201 HydrophobicContact CE2-CG1 3.78Å; F166-V201 HydrophobicContact CZ-CB 4.22Å; F166-V201 HydrophobicContact CZ-CG1 3.89Å; F166-V201 WeakPolarHBondContact CZ-O 3.38Å; H188-V201 HydrophobicContact CB-CG1 4.49Å; H188-V201 HydrophobicContact CB-CG2 4.43Å; A197-V201 PolarHBondContact O-N 2.73Å; V201-Q203 PolarHBondContact O-N 3.22Å; V201-V208 HydrophobicContact CG2-CG1 4.05Å
202N93.2Very high93.5Very high28 Ų2848.5 Ų48.515%0.1529%0.294CS..THydrogen-bonded Turntrans54.931.3-174.6-67.8-25.4000114.5F166 D170 E186 H188 L200F166-N202 HydrophobicContact CD1-CB 4.12Å; F166-N202 WeakPolarHBondContact CD2-ND2 3.21Å; F166-N202 HydrophobicContact CE1-CB 3.75Å; F166-N202 HydrophobicContact CE2-CB 4.49Å; F166-N202 HydrophobicContact CZ-CB 3.95Å; D170-N202 HydrophobicContact CB-CB 4.41Å; D170-N202 WeakPolarHBondContact CB-ND2 3.33Å; E186-N202 PolarHBondContact OE2-ND2 3.28Å; E186-N202 PolarHBondContact OE2-OD1 2.9Å; H188-N202 PolarHBondContact CE1-OD1 3.5Å; H188-N202 PolarHBondContact NE2-OD1 3.05Å; L200-N202 PolarHBondContact O-N 3.05Å
203Q92.1Very high93.7Very high122 Ų12246.2 Ų46.257%0.5728%0.279SS*.THydrogen-bonded Turntrans-114.418.3174.7-59.3-56.7-62.200113.5S199 L200 V201 D205S199-Q203 WeakPolarHBondContact O-CG 3.35Å; L200-Q203 WeakPolarHBondContact O-CB 3.25Å; L200-Q203 PolarHBondContact O-N 2.73Å; V201-Q203 PolarHBondContact O-N 3.22Å; Q203-D205 PolarHBondContact O-N 2.79Å; Q203-D205 VanDerWaalsContact O-N 3.12Å
204D83.9Confident93.9Very high127 Ų12743.4 Ų43.468%0.67926%0.256SS*.THydrogen-bonded Turntrans55.427.8-179.6-58-46.9000114.2
205D89.4Confident94Very high46 Ų4639.7 Ų39.725%0.24622%0.217CC..  trans-80.3123.1176.5-171.7-58.4000110.2L200 Q203 S207 V208L200-D205 HydrophobicContact CB-CB 4.33Å; Q203-D205 PolarHBondContact O-N 2.79Å; Q203-D205 VanDerWaalsContact O-N 3.12Å; D205-S207 PolarHBondContact O-N 2.88Å; D205-S207 WeakPolarHBondContact OD1-CA 3.39Å; D205-S207 VanDerWaalsContact OD1-CB 3.24Å; D205-S207 WeakPolarHBondContact OD1-CB 3.31Å; D205-S207 PolarHBondContact OD1-N 2.77Å; D205-S207 PolarHBondContact OD1-OG 3.21Å; D205-V208 CarbonylContact O-C 3.57Å; D205-V208 PolarHBondContact O-N 2.83Å
206P86Confident94Very high69 Ų6935.7 Ų35.745%0.44820%0.202SC..THydrogen-bonded Turntrans-65.1-15.8-17627-35.6000113.8Y90Y90-P206 HydrophobicContact CE1-CB 4.17Å
207S91.8Very high93.6Very high21 Ų2131.8 Ų31.815%0.14718%0.181CC..THydrogen-bonded Turntrans-83-15.5174.3720000113.3D190 R191 R195 D205D190-S207 CarbonylContact C-O 3.58Å; R191-S207 VanDerWaalsContact CB-O 3.31Å; R191-S207 WeakPolarHBondContact CB-O 3.44Å; R191-S207 WeakPolarHBondContact CG-O 3.34Å; R191-S207 PolarHBondContact N-O 3.39Å; R195-S207 PolarHBondContact NH2-OG 3.32Å; D205-S207 PolarHBondContact O-N 2.88Å; D205-S207 WeakPolarHBondContact OD1-CA 3.39Å; D205-S207 VanDerWaalsContact OD1-CB 3.24Å; D205-S207 WeakPolarHBondContact OD1-CB 3.31Å; D205-S207 PolarHBondContact OD1-N 2.77Å; D205-S207 PolarHBondContact OD1-OG 3.21Å
208V94.8Very high92.6Very high9 Ų932.7 Ų32.76%0.05519%0.187CC..EExtended strand (participates in β ladder)trans-125.1101.3177.8-175.90000109.2H188 D190 A197 L200 V201 D205H188-V208 HydrophobicContact CB-CG1 4.21Å; D190-V208 HydrophobicContact CB-CG2 4.26Å; A197-V208 HydrophobicContact CB-CG2 3.86Å; L200-V208 HydrophobicContact CB-CB 4.37Å; L200-V208 HydrophobicContact CB-CG2 3.84Å; L200-V208 HydrophobicContact CD1-CG2 4.19Å; V201-V208 HydrophobicContact CG2-CG1 4.05Å; D205-V208 CarbonylContact O-C 3.57Å; D205-V208 PolarHBondContact O-N 2.83Å
209I93.8Very high91.3Very high9 Ų932.2 Ų32.25%0.04618%0.18CC..EExtended strand (participates in β ladder)trans-108.8136.2-171.754.4163.8000111.8H188 Y189 R191 I211 R240 V244H188-I209 CarbonylContact C-O 3.48Å; H188-I209 VanDerWaalsContact CA-O 3.28Å; H188-I209 WeakPolarHBondContact CA-O 3.49Å; Y189-I209 PolarHBondContact N-O 2.88Å; Y189-I209 PolarHBondContact O-N 2.86Å; Y189-I209 VanDerWaalsContact O-N 3.12Å; R191-I209 VanDerWaalsContact NH2-CD1 3.29Å; I209-I211 HydrophobicContact CD1-CG2 3.98Å; I209-I211 HydrophobicContact CG1-CG2 4.11Å; I209-I211 PolarHBondContact O-N 3Å; I209-R240 HydrophobicContact CD1-CB 4.27Å; I209-V244 HydrophobicContact CD1-CG2 3.54Å; I209-V244 HydrophobicContact CG1-CG2 4.34Å
210E95.5Very high89.4Confident49 Ų4928.6 Ų28.623%0.22915%0.154CC..EExtended strand (participates in β ladder)trans-68.4118.4165.9-177.9-144.1167.800108.7E186 H188 N213 R240E186-E210 HydrophobicContact CB-CG 4.17Å; E186-E210 HydrophobicContact CG-CG 4.39Å; H188-E210 PolarHBondContact CD2-N 3.48Å; E210-N213 WeakPolarHBondContact OE1-CB 3.48Å; E210-R240 WeakPolarHBondContact O-CD 3.37Å; E210-R240 PolarHBondContact O-NH1 3.45Å; E210-R240 IonicContact OE2-NH1 2.76Å; E210-R240 PolarHBondContact OE2-NH1 3.36Å
211I96.7Very high87.4Confident2 Ų228.2 Ų28.21%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-103.7-27.3179.656.5168.5000112.5L119 L125 L130 I187 I209 L236 G237 R240 V244L119-I211 HydrophobicContact CD1-CD1 3.97Å; L119-I211 HydrophobicContact CD2-CD1 3.84Å; L125-I211 HydrophobicContact CD1-CD1 4.3Å; L130-I211 HydrophobicContact CD2-CD1 4.2Å; I187-I211 HydrophobicContact CG2-CD1 4.47Å; I187-I211 HydrophobicContact CG2-CG1 4.4Å; I187-I211 VanDerWaalsContact O-CG1 3.28Å; I187-I211 WeakPolarHBondContact O-CG1 3.41Å; I187-I211 PolarHBondContact O-N 3.32Å; I209-I211 HydrophobicContact CD1-CG2 3.98Å; I209-I211 HydrophobicContact CG1-CG2 4.11Å; I209-I211 PolarHBondContact O-N 3Å; I211-L236 WeakPolarHBondContact O-CA 3.47Å; I211-L236 WeakPolarHBondContact O-CG 3.5Å; I211-G237 PolarHBondContact O-N 3.34Å; I211-R240 HydrophobicContact CG2-CB 4.5Å; I211-V244 HydrophobicContact CG2-CG2 4.26Å
212W97.6Very high85.3Confident0 Ų030.9 Ų30.90%018%0.18CC..EExtended strand (participates in β ladder)trans-149.7130.9-174.8-160.2-10.5000111.8F10 F14 N100 A115 L118 L119 E186 I187 L214 L236F10-W212 HydrophobicContact CE2-CH2 4.34Å; F10-W212 HydrophobicContact CE2-CZ2 4.19Å; F14-W212 HydrophobicContact CE2-CH2 4.08Å; F14-W212 HydrophobicContact CE2-CZ2 4.27Å; F14-W212 AromaticContact CZ-CH2 3.81Å; F14-W212 HydrophobicContact CZ-CH2 3.81Å; F14-W212 AromaticContact CZ-CZ2 3.97Å; F14-W212 HydrophobicContact CZ-CZ2 3.97Å; N100-W212 WeakPolarHBondContact OD1-CZ2 3.32Å; A115-W212 HydrophobicContact CB-CD2 4.37Å; A115-W212 HydrophobicContact CB-CE3 3.82Å; A115-W212 HydrophobicContact CB-CH2 3.72Å; A115-W212 HydrophobicContact CB-CZ2 4.25Å; A115-W212 HydrophobicContact CB-CZ3 3.49Å; A115-W212 VanDerWaalsContact CB-CZ3 3.49Å; L118-W212 HydrophobicContact CB-CZ3 4.35Å; L118-W212 HydrophobicContact CD2-CH2 3.67Å; L118-W212 HydrophobicContact CD2-CZ3 3.79Å; L119-W212 HydrophobicContact CD1-CE3 4.05Å; L119-W212 HydrophobicContact CD2-CE3 4.34Å; L119-W212 HydrophobicContact CG-CE3 4.14Å; L119-W212 HydrophobicContact CG-CZ3 4.2Å; E186-W212 CarbonylContact C-O 3.53Å; E186-W212 WeakPolarHBondContact CA-O 3.35Å; I187-W212 HydrophobicContact CB-CB 4.21Å; I187-W212 HydrophobicContact CD1-CB 4.32Å; I187-W212 HydrophobicContact CD1-CE3 4.21Å; I187-W212 HydrophobicContact CG1-CB 4.42Å; I187-W212 PolarHBondContact N-O 2.82Å; I187-W212 PolarHBondContact O-N 2.88Å; W212-L214 HydrophobicContact CD2-CD2 4.01Å; W212-L214 HydrophobicContact CG-CD2 4.04Å; W212-L214 HydrophobicContact CZ2-CD2 4.28Å; W212-L236 HydrophobicContact CB-CB 4.27Å; W212-L236 HydrophobicContact CB-CD1 4.15Å; W212-L236 HydrophobicContact CB-CG 4.34Å; W212-L236 HydrophobicContact CD2-CB 4Å; W212-L236 HydrophobicContact CD2-CD1 3.57Å; W212-L236 HydrophobicContact CD2-CG 4.31Å; W212-L236 HydrophobicContact CE3-CD1 3.48Å; W212-L236 VanDerWaalsContact CE3-CD1 3.48Å; W212-L236 HydrophobicContact CG-CB 3.75Å; W212-L236 HydrophobicContact CG-CD1 3.9Å; W212-L236 HydrophobicContact CG-CG 4.19Å; W212-L236 HydrophobicContact CZ3-CD1 3.99Å
213N97.1Very high83.6Confident18 Ų1833.3 Ų33.310%0.09620%0.199CC..EExtended strand (participates in β ladder)trans-109125.2171.1-154.8-32.1000111.1C184 E210 C234 G235C184-N213 WeakPolarHBondContact CB-OD1 3.49Å; C184-N213 PolarHBondContact SG-OD1 3.34Å; E210-N213 WeakPolarHBondContact OE1-CB 3.48Å; N213-C234 WeakPolarHBondContact O-CA 3.39Å; N213-G235 PolarHBondContact N-O 3.2Å; N213-G235 PolarHBondContact O-N 2.77Å
214L97.7Very high82.3Confident0 Ų028.9 Ų28.90%018%0.179CC..EExtended strand (participates in β ladder)trans-105.399.3176-49.7-176.4000109.2I111 A115 W153 C184 S185 I187 W212 F216 C234I111-L214 HydrophobicContact CG1-CD1 4.36Å; I111-L214 HydrophobicContact CG1-CD2 4.04Å; A115-L214 HydrophobicContact CB-CD1 4.14Å; A115-L214 HydrophobicContact CB-CD2 4.33Å; W153-L214 HydrophobicContact CH2-CD1 4.18Å; W153-L214 HydrophobicContact CZ2-CD1 3.9Å; C184-L214 CarbonylContact C-O 3.55Å; C184-L214 WeakPolarHBondContact CA-O 3.35Å; C184-L214 VanDerWaalsContact CB-O 3.24Å; C184-L214 WeakPolarHBondContact CB-O 3.42Å; S185-L214 PolarHBondContact N-O 3.29Å; S185-L214 WeakPolarHBondContact O-CB 3.38Å; S185-L214 PolarHBondContact O-N 3.03Å; I187-L214 HydrophobicContact CD1-CD1 4.35Å; W212-L214 HydrophobicContact CD2-CD2 4.01Å; W212-L214 HydrophobicContact CG-CD2 4.04Å; W212-L214 HydrophobicContact CZ2-CD2 4.28Å; L214-F216 HydrophobicContact CB-CE1 4.14Å; L214-F216 HydrophobicContact CB-CZ 4.31Å; L214-C234 HydrophobicContact CD2-CB 4.45Å
215V95.2Very high81.3Confident2 Ų227.1 Ų27.11%0.01217%0.167CC..EExtended strand (participates in β ladder)trans-93.8125.3-177-1740000110.6W173 C184 I217 D233W173-V215 HydrophobicContact CB-CB 4.42Å; W173-V215 HydrophobicContact CB-CG1 3.8Å; W173-V215 HydrophobicContact CB-CG2 3.69Å; W173-V215 HydrophobicContact CD2-CG1 4.44Å; W173-V215 HydrophobicContact CD2-CG2 4.14Å; W173-V215 HydrophobicContact CE3-CG1 4.24Å; W173-V215 HydrophobicContact CG-CG1 4.29Å; W173-V215 HydrophobicContact CG-CG2 3.69Å; C184-V215 HydrophobicContact CB-CB 4.2Å; C184-V215 HydrophobicContact CB-CG1 4.44Å; C184-V215 HydrophobicContact CB-CG2 3.87Å; V215-I217 HydrophobicContact CG1-CG1 4Å; V215-I217 PolarHBondContact O-N 3.08Å; V215-D233 WeakPolarHBondContact CA-O 3.48Å; V215-D233 HydrophobicContact CB-CB 4.17Å; V215-D233 WeakPolarHBondContact CB-O 3.43Å; V215-D233 PolarHBondContact N-O 3.5Å; V215-D233 PolarHBondContact O-N 2.97Å
216F93.5Very high80.5Confident0 Ų030.9 Ų30.90%019%0.186CC..EExtended strand (participates in β ladder)trans-97.284.8178.8-45.6-50.9000108.5Y107 K108 I111 D146 C149 P183 L214 T218 I232Y107-F216 HydrophobicContact CE2-CB 4.12Å; Y107-F216 WeakPolarHBondContact OH-CB 3.43Å; K108-F216 HydrophobicContact CB-CE1 4.35Å; K108-F216 HydrophobicContact CD-CD1 4.48Å; K108-F216 HydrophobicContact CD-CD2 4.3Å; K108-F216 HydrophobicContact CD-CE2 4.39Å; K108-F216 HydrophobicContact CD-CG 4.34Å; K108-F216 HydrophobicContact CG-CD1 3.56Å; K108-F216 HydrophobicContact CG-CD2 4.19Å; K108-F216 HydrophobicContact CG-CE1 3.59Å; K108-F216 HydrophobicContact CG-CE2 4.19Å; K108-F216 HydrophobicContact CG-CG 3.88Å; K108-F216 HydrophobicContact CG-CZ 3.9Å; I111-F216 HydrophobicContact CG2-CE1 4.12Å; D146-F216 WeakPolarHBondContact OD2-CD2 3.37Å; C149-F216 HydrophobicContact CB-CE2 4.02Å; C149-F216 HydrophobicContact CB-CZ 4.42Å; P183-F216 HydrophobicContact CG-CB 4.36Å; P183-F216 HydrophobicContact CG-CD2 4.43Å; P183-F216 WeakPolarHBondContact O-CB 3.46Å; P183-F216 WeakPolarHBondContact O-CD2 3.37Å; P183-F216 PolarHBondContact O-N 3.47Å; L214-F216 HydrophobicContact CB-CE1 4.14Å; L214-F216 HydrophobicContact CB-CZ 4.31Å; F216-T218 PolarHBondContact O-N 3.49Å; F216-T218 VanDerWaalsContact O-N 3.13Å; F216-I232 HydrophobicContact CD1-CD1 3.66Å; F216-I232 HydrophobicContact CE1-CD1 4.3Å
217I85.3Confident79.8Confident0 Ų028.7 Ų28.70%017%0.171CC..EExtended strand (participates in β ladder)trans-66.6116-174-69174.6000109.6F50 P180 V215 L227 H231 D233F50-I217 HydrophobicContact CD1-CD1 3.66Å; F50-I217 HydrophobicContact CD1-CG2 4.3Å; F50-I217 HydrophobicContact CD2-CD1 4.3Å; F50-I217 HydrophobicContact CE1-CD1 3.54Å; F50-I217 HydrophobicContact CE2-CD1 4.2Å; F50-I217 HydrophobicContact CG-CD1 4.06Å; F50-I217 HydrophobicContact CZ-CD1 3.82Å; P180-I217 HydrophobicContact CB-CD1 4.32Å; P180-I217 HydrophobicContact CB-CG2 3.84Å; V215-I217 HydrophobicContact CG1-CG1 4Å; V215-I217 PolarHBondContact O-N 3.08Å; I217-L227 HydrophobicContact CG2-CD1 3.42Å; I217-L227 VanDerWaalsContact CG2-CD1 3.42Å; I217-H231 HydrophobicContact CB-CB 4.05Å; I217-H231 HydrophobicContact CG2-CB 4.28Å; I217-H231 PolarHBondContact N-O 2.93Å; I217-H231 VanDerWaalsContact N-O 3.11Å; I217-H231 PolarHBondContact O-N 2.82Å; I217-D233 HydrophobicContact CD1-CB 3.41Å; I217-D233 VanDerWaalsContact CD1-CB 3.41Å; I217-D233 HydrophobicContact CG1-CB 4.05Å
218T76.7Confident78.7Confident21 Ų2132.7 Ų32.713%0.12920%0.196CC..EExtended strand (participates in β ladder)trans-122.9-20.8-178.649.10000113.2Y107 C181 F216 L226 L227Y107-T218 VanDerWaalsContact OH-CG2 3.29Å; Y107-T218 WeakPolarHBondContact OH-CG2 3.48Å; C181-T218 PolarHBondContact O-N 3.15Å; C181-T218 VanDerWaalsContact O-N 3.09Å; F216-T218 PolarHBondContact O-N 3.49Å; F216-T218 VanDerWaalsContact O-N 3.13Å; T218-L226 CarbonylContact O-C 3.58Å; T218-L226 VanDerWaalsContact O-CA 3.24Å; T218-L226 WeakPolarHBondContact O-CA 3.36Å; T218-L227 PolarHBondContact O-N 3.3Å
219E69.2Low77.9Confident14 Ų1435.5 Ų35.57%0.06521%0.214CC..EExtended strand (participates in β ladder)trans-138.9160.5-164.3-66.7165.7-174.700113.5P180 C181 L224 Q225 L226P180-E219 VanDerWaalsContact CA-O 3.29Å; P180-E219 WeakPolarHBondContact CA-O 3.28Å; C181-E219 PolarHBondContact N-O 3.24Å; C181-E219 PolarHBondContact O-N 3.07Å; E219-L224 VanDerWaalsContact CD-CA 3.44Å; E219-L224 VanDerWaalsContact CD-CB 3.41Å; E219-L224 HydrophobicContact CG-CB 4.38Å; E219-L224 WeakPolarHBondContact OE2-CA 3.24Å; E219-L224 WeakPolarHBondContact OE2-CB 3.19Å; E219-L224 WeakPolarHBondContact OE2-CD2 3.5Å; E219-L224 WeakPolarHBondContact OE2-CG 3.43Å; E219-Q225 VanDerWaalsContact CA-O 3.23Å; E219-Q225 WeakPolarHBondContact CA-O 3.48Å; E219-L226 HydrophobicContact CG-CD2 4.35Å
220T56Low77.4Confident21 Ų2142.2 Ų42.213%0.12924%0.238CC..EExtended strand (participates in β ladder)trans-111.1-19.1-171.450.80000116.1L51 G179 Q225 L227L51-T220 HydrophobicContact CD2-CG2 4.08Å; G179-T220 CarbonylContact C-O 3.48Å; G179-T220 CarbonylContact O-C 3.33Å; G179-T220 VanDerWaalsContact O-C 3.22Å; T220-Q225 PolarHBondContact N-O 3.49Å; T220-L227 HydrophobicContact CG2-CD2 3.15Å; T220-L227 HydrophobicContact CG2-CG 3.79Å
221N54.3Low77.3Confident33 Ų3340 Ų4018%0.17623%0.228CC..EExtended strand (participates in β ladder)trans-156.7167-168.661.222.5000111.1S223 L224 Q225N221-S223 PolarHBondContact ND2-OG 3.36Å; N221-S223 PolarHBondContact O-N 3.3Å; N221-S223 WeakPolarHBondContact OD1-CA 3.43Å; N221-S223 PolarHBondContact OD1-N 3.43Å; N221-S223 VanDerWaalsContact OD1-N 3.13Å; N221-S223 PolarHBondContact OD1-OG 3.22Å; N221-L224 PolarHBondContact O-N 2.85Å; N221-L224 PolarHBondContact OD1-N 3.5Å; N221-Q225 PolarHBondContact OD1-N 2.99Å
222G50.7Low77.2Confident57 Ų5740 Ų4059%0.58823%0.228SC*.THydrogen-bonded Turntrans-62.1-1.9175.800000115.7L224G222-L224 VanDerWaalsContact C-N 3.32Å
223S57.9Low77.1Confident79 Ų7940.1 Ų40.155%0.55223%0.229SC*.THydrogen-bonded Turntrans-91.46.6166.669.10000113.4N221 Q225N221-S223 PolarHBondContact ND2-OG 3.36Å; N221-S223 PolarHBondContact O-N 3.3Å; N221-S223 WeakPolarHBondContact OD1-CA 3.43Å; N221-S223 PolarHBondContact OD1-N 3.43Å; N221-S223 VanDerWaalsContact OD1-N 3.13Å; N221-S223 PolarHBondContact OD1-OG 3.22Å; S223-Q225 VanDerWaalsContact C-N 3.27Å; S223-Q225 PolarHBondContact O-N 2.73Å
224L65.1Low77Confident29 Ų2939.3 Ų39.315%0.15222%0.224CC..  trans55.940.1173.1-55.4175.8000112.2M141 L143 F172 E219 N221 G222 L226M141-L224 HydrophobicContact CB-CD1 4.1Å; M141-L224 HydrophobicContact CE-CD1 3.85Å; M141-L224 HydrophobicContact CE-CD2 4.17Å; M141-L224 HydrophobicContact CE-CG 4.26Å; L143-L224 HydrophobicContact CD1-CD1 3.66Å; L143-L224 HydrophobicContact CD1-CD2 4.45Å; L143-L224 HydrophobicContact CD2-CD1 3.9Å; L143-L224 HydrophobicContact CG-CD1 3.73Å; F172-L224 HydrophobicContact CE1-CD2 4.4Å; F172-L224 HydrophobicContact CZ-CD2 3.78Å; E219-L224 VanDerWaalsContact CD-CA 3.44Å; E219-L224 VanDerWaalsContact CD-CB 3.41Å; E219-L224 HydrophobicContact CG-CB 4.38Å; E219-L224 WeakPolarHBondContact OE2-CA 3.24Å; E219-L224 WeakPolarHBondContact OE2-CB 3.19Å; E219-L224 WeakPolarHBondContact OE2-CD2 3.5Å; E219-L224 WeakPolarHBondContact OE2-CG 3.43Å; N221-L224 PolarHBondContact O-N 2.85Å; N221-L224 PolarHBondContact OD1-N 3.5Å; G222-L224 VanDerWaalsContact C-N 3.32Å; L224-L226 PolarHBondContact O-N 3.23Å
225Q64Low77Confident90 Ų9039.8 Ų39.842%0.42123%0.23SC..PPolyproline II helixtrans-76.2121179.2-78.1-173.2-4.800111.5E219 T220 N221 S223E219-Q225 VanDerWaalsContact CA-O 3.23Å; E219-Q225 WeakPolarHBondContact CA-O 3.48Å; T220-Q225 PolarHBondContact N-O 3.49Å; N221-Q225 PolarHBondContact OD1-N 2.99Å; S223-Q225 VanDerWaalsContact C-N 3.27Å; S223-Q225 PolarHBondContact O-N 2.73Å
226L70.8Confident77.1Confident125 Ų12539.7 Ų39.765%0.65423%0.229SC*.EExtended strand (participates in β ladder)trans-57.6133.7178.6-69.1171.1000113T218 E219 L224T218-L226 CarbonylContact O-C 3.58Å; T218-L226 VanDerWaalsContact O-CA 3.24Å; T218-L226 WeakPolarHBondContact O-CA 3.36Å; E219-L226 HydrophobicContact CG-CD2 4.35Å; L224-L226 PolarHBondContact O-N 3.23Å
227L71Confident77.2Confident23 Ų2340.5 Ų40.512%0.1224%0.237CC..EExtended strand (participates in β ladder)trans-70.4149.6172.8-78.7167.3000111.6F50 I217 T218 T220 T229F50-L227 WeakPolarHBondContact O-CD2 3.3Å; I217-L227 HydrophobicContact CG2-CD1 3.42Å; I217-L227 VanDerWaalsContact CG2-CD1 3.42Å; T218-L227 PolarHBondContact O-N 3.3Å; T220-L227 HydrophobicContact CG2-CD2 3.15Å; T220-L227 HydrophobicContact CG2-CG 3.79Å; L227-T229 WeakPolarHBondContact CB-O 3.41Å; L227-T229 PolarHBondContact O-N 3.32Å
228P70Confident77.8Confident106 Ų10640.5 Ų40.569%0.68824%0.237SC*.EExtended strand (participates in β ladder)trans-60.6-31.2176.6-2131.9000113.2
229T76.8Confident78.8Confident68 Ų6839.6 Ų39.642%0.41723%0.231SC..EExtended strand (participates in β ladder)trans-126.4147.1-177.841.60000109.7L227 H231L227-T229 WeakPolarHBondContact CB-O 3.41Å; L227-T229 PolarHBondContact O-N 3.32Å; T229-H231 PolarHBondContact O-CD2 3.13Å; T229-H231 PolarHBondContact O-NE2 3.42Å; T229-H231 PolarHBondContact OG1-CE1 2.97Å; T229-H231 PolarHBondContact OG1-NE2 3.12Å
230R85.3Confident80.1Confident149 Ų14941.1 Ų41.156%0.56224%0.236SC*.EExtended strand (participates in β ladder)trans-85.5138.5173-66.8-179-176.4-174.1-0.1109.5G104 Y107G104-R230 WeakPolarHBondContact CA-O 3.4Å; G104-R230 PolarHBondContact N-O 2.91Å; Y107-R230 HydrophobicContact CD2-CB 3.82Å; Y107-R230 HydrophobicContact CE2-CB 3.72Å; Y107-R230 HydrophobicContact CE2-CG 4.32Å; Y107-R230 HydrophobicContact CG-CB 4.42Å
231H92Very high82.1Confident4 Ų440.1 Ų40.12%0.01923%0.23CC..EExtended strand (participates in β ladder)trans-129.7156.3-177.8-55.7-88.2000110.7F50 S102 F103 I217 T229F50-H231 HydrophobicContact CD1-CB 3.58Å; F50-H231 AromaticContact CD1-CG 3.66Å; F50-H231 AromaticContact CD1-ND1 3.95Å; F50-H231 HydrophobicContact CE1-CB 3.62Å; S102-H231 VanDerWaalsContact O-CA 3.3Å; S102-H231 WeakPolarHBondContact O-CA 3.43Å; S102-H231 WeakPolarHBondContact O-CB 3.41Å; F103-H231 WeakPolarHBondContact CA-ND1 3.36Å; I217-H231 HydrophobicContact CB-CB 4.05Å; I217-H231 HydrophobicContact CG2-CB 4.28Å; I217-H231 PolarHBondContact N-O 2.93Å; I217-H231 VanDerWaalsContact N-O 3.11Å; I217-H231 PolarHBondContact O-N 2.82Å; T229-H231 PolarHBondContact O-CD2 3.13Å; T229-H231 PolarHBondContact O-NE2 3.42Å; T229-H231 PolarHBondContact OG1-CE1 2.97Å; T229-H231 PolarHBondContact OG1-NE2 3.12Å
232I94.8Very high84.1Confident0 Ų038.6 Ų38.60%022%0.222CC..EExtended strand (participates in β ladder)trans-115.4132.3171.6-64.4-62.9000108.3W101 S102 Y106 Y107 I111 F216 C234W101-I232 WeakPolarHBondContact CA-O 3.35Å; S102-I232 PolarHBondContact N-O 2.96Å; S102-I232 PolarHBondContact O-N 3.41Å; S102-I232 VanDerWaalsContact O-N 3.15Å; Y106-I232 HydrophobicContact CD2-CG1 4.07Å; Y106-I232 HydrophobicContact CE2-CB 3.99Å; Y106-I232 HydrophobicContact CE2-CG1 3.92Å; Y106-I232 HydrophobicContact CE2-CG2 4Å; Y107-I232 HydrophobicContact CD2-CD1 3.46Å; Y107-I232 VanDerWaalsContact CD2-CD1 3.46Å; Y107-I232 HydrophobicContact CD2-CG1 3.98Å; Y107-I232 HydrophobicContact CE2-CD1 3.86Å; Y107-I232 HydrophobicContact CG-CD1 4.23Å; I111-I232 HydrophobicContact CB-CG2 4.44Å; I111-I232 HydrophobicContact CG1-CG2 4.1Å; I111-I232 HydrophobicContact CG2-CD1 4.14Å; F216-I232 HydrophobicContact CD1-CD1 3.66Å; F216-I232 HydrophobicContact CE1-CD1 4.3Å; I232-C234 WeakPolarHBondContact CG2-SG 3.33Å
233D95.1Very high86.3Confident4 Ų435.9 Ų35.92%0.02119%0.194CC..EExtended strand (participates in β ladder)trans-121.7123166.717132.4000109.2M43 F50 W101 V215 I217M43-D233 HydrophobicContact CB-CB 4.34Å; M43-D233 VanDerWaalsContact CB-CG 3.45Å; M43-D233 WeakPolarHBondContact CB-OD1 3.39Å; M43-D233 WeakPolarHBondContact CB-OD2 3.4Å; M43-D233 WeakPolarHBondContact CG-OD2 3.3Å; F50-D233 HydrophobicContact CZ-CB 4.41Å; W101-D233 PolarHBondContact NE1-OD1 3.02Å; V215-D233 WeakPolarHBondContact CA-O 3.48Å; V215-D233 HydrophobicContact CB-CB 4.17Å; V215-D233 WeakPolarHBondContact CB-O 3.43Å; V215-D233 PolarHBondContact N-O 3.5Å; V215-D233 PolarHBondContact O-N 2.97Å; I217-D233 HydrophobicContact CD1-CB 3.41Å; I217-D233 VanDerWaalsContact CD1-CB 3.41Å; I217-D233 HydrophobicContact CG1-CB 4.05Å
234C96.6Very high88.2Confident0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-120130.7-179.1-71.10000109.3G99 N100 I111 N213 L214 I232G99-C234 WeakPolarHBondContact CA-O 3.19Å; N100-C234 PolarHBondContact ND2-SG 3.44Å; N100-C234 VanDerWaalsContact O-CB 3.28Å; N100-C234 WeakPolarHBondContact O-CB 3.45Å; N100-C234 PolarHBondContact O-N 3.47Å; N100-C234 WeakPolarHBondContact OD1-CB 3.43Å; I111-C234 VanDerWaalsContact CG1-SG 3.56Å; N213-C234 WeakPolarHBondContact O-CA 3.39Å; L214-C234 HydrophobicContact CD2-CB 4.45Å; I232-C234 WeakPolarHBondContact CG2-SG 3.33Å
235G96.2Very high89.7Confident11 Ų1133 Ų3311%0.11317%0.173CC..EExtended strand (participates in β ladder)trans-126.1104.9173.700000111.1N213N213-G235 PolarHBondContact N-O 3.2Å; N213-G235 PolarHBondContact O-N 2.77Å
236L97.6Very high91.2Very high0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-100.2124.4171.9178.8146.9000109.4F10 L98 L119 I211 W212 F238 L241F10-L236 HydrophobicContact CE2-CB 4.46Å; F10-L236 HydrophobicContact CE2-CD1 4.47Å; L98-L236 HydrophobicContact CB-CB 4.12Å; L98-L236 HydrophobicContact CB-CD2 3.82Å; L98-L236 HydrophobicContact CD1-CD2 3.52Å; L98-L236 HydrophobicContact CG-CD2 3.98Å; L98-L236 PolarHBondContact N-O 3.46Å; L98-L236 PolarHBondContact O-N 2.92Å; L119-L236 HydrophobicContact CD2-CD1 4.48Å; I211-L236 WeakPolarHBondContact O-CA 3.47Å; I211-L236 WeakPolarHBondContact O-CG 3.5Å; W212-L236 HydrophobicContact CB-CB 4.27Å; W212-L236 HydrophobicContact CB-CD1 4.15Å; W212-L236 HydrophobicContact CB-CG 4.34Å; W212-L236 HydrophobicContact CD2-CB 4Å; W212-L236 HydrophobicContact CD2-CD1 3.57Å; W212-L236 HydrophobicContact CD2-CG 4.31Å; W212-L236 HydrophobicContact CE3-CD1 3.48Å; W212-L236 VanDerWaalsContact CE3-CD1 3.48Å; W212-L236 HydrophobicContact CG-CB 3.75Å; W212-L236 HydrophobicContact CG-CD1 3.9Å; W212-L236 HydrophobicContact CG-CG 4.19Å; W212-L236 HydrophobicContact CZ3-CD1 3.99Å; L236-F238 PolarHBondContact O-N 3.09Å; L236-L241 HydrophobicContact CD1-CD2 4.15Å; L236-L241 HydrophobicContact CD2-CB 3.91Å; L236-L241 HydrophobicContact CD2-CD2 3.56Å; L236-L241 HydrophobicContact CD2-CG 4.29Å; L236-L241 HydrophobicContact CG-CD2 4.44Å
237G96.9Very high92.4Very high16 Ų1628.6 Ų28.617%0.16517%0.166CC..EExtended strand (participates in β ladder)trans-74.2106.7-179.300000110.8I211 R240 L241I211-G237 PolarHBondContact O-N 3.34Å; G237-R240 PolarHBondContact O-N 3.23Å; G237-L241 PolarHBondContact O-N 2.9Å
238F97.9Very high93.5Very high0 Ų029.3 Ų29.30%017%0.172CC..Hα-helixtrans-60.4-51.7-173.7178.4-121000112.4A3 V6 R7 E96 L98 L236 R240 L241 V242 L256A3-F238 HydrophobicContact CB-CE1 4.22Å; A3-F238 HydrophobicContact CB-CZ 3.74Å; A3-F238 WeakPolarHBondContact O-CE2 3.48Å; A3-F238 VanDerWaalsContact O-CZ 3.25Å; A3-F238 WeakPolarHBondContact O-CZ 3.35Å; V6-F238 HydrophobicContact CB-CE2 4.26Å; V6-F238 HydrophobicContact CG1-CE2 4.19Å; R7-F238 HydrophobicContact CB-CE2 3.73Å; R7-F238 HydrophobicContact CB-CZ 4.03Å; R7-F238 HydrophobicContact CG-CE2 4.49Å; R7-F238 VanDerWaalsContact NH2-CZ 3.32Å; E96-F238 HydrophobicContact CB-CB 3.64Å; E96-F238 HydrophobicContact CB-CD1 3.83Å; E96-F238 HydrophobicContact CB-CG 4.03Å; E96-F238 HydrophobicContact CG-CD1 4.28Å; E96-F238 WeakPolarHBondContact O-CB 3.43Å; E96-F238 PolarHBondContact O-N 3.29Å; E96-F238 WeakPolarHBondContact OE1-CD1 3.3Å; E96-F238 WeakPolarHBondContact OE1-CE1 3.44Å; L98-F238 HydrophobicContact CD1-CB 4.41Å; L98-F238 HydrophobicContact CD1-CD2 3.68Å; L98-F238 HydrophobicContact CD1-CE2 4.5Å; L98-F238 HydrophobicContact CD1-CG 4.48Å; L98-F238 HydrophobicContact CD2-CD2 4.26Å; L98-F238 HydrophobicContact CG-CB 4.05Å; L98-F238 HydrophobicContact CG-CD2 4.06Å; L98-F238 HydrophobicContact CG-CG 4.42Å; L236-F238 PolarHBondContact O-N 3.09Å; F238-R240 VanDerWaalsContact C-N 3.26Å; F238-R240 PolarHBondContact O-N 3.07Å; F238-L241 PolarHBondContact O-N 3.39Å; F238-L241 VanDerWaalsContact O-N 3.17Å; F238-V242 HydrophobicContact CD2-CG2 3.86Å; F238-V242 HydrophobicContact CE1-CG2 4.23Å; F238-V242 HydrophobicContact CE2-CG2 3.52Å; F238-V242 HydrophobicContact CG-CG2 4.36Å; F238-V242 HydrophobicContact CZ-CG2 3.75Å; F238-V242 VanDerWaalsContact O-CG2 3.29Å; F238-V242 WeakPolarHBondContact O-CG2 3.41Å; F238-V242 PolarHBondContact O-N 3.46Å; F238-L256 HydrophobicContact CD1-CD1 4.02Å; F238-L256 HydrophobicContact CE1-CD1 3.68Å; F238-L256 HydrophobicContact CE1-CD2 3.92Å; F238-L256 HydrophobicContact CE1-CG 4.4Å
239E97.3Very high94.5Very high3 Ų328.3 Ų28.31%0.01417%0.167CC..Hα-helixtrans-57.7-40179.3-75.675.7-176.300111.9F95 E96 S243 N251 L256 F257 R297F95-E239 WeakPolarHBondContact CB-OE2 3.15Å; E96-E239 PolarHBondContact N-OE1 2.9Å; E96-E239 PolarHBondContact N-OE2 3.32Å; E239-S243 PolarHBondContact O-N 3.34Å; E239-S243 VanDerWaalsContact O-N 3.12Å; E239-S243 PolarHBondContact O-OG 3.39Å; E239-N251 HydrophobicContact CB-CB 4.25Å; E239-N251 PolarHBondContact O-OD1 2.96Å; E239-L256 HydrophobicContact CG-CD1 4.02Å; E239-F257 HydrophobicContact CG-CE2 4.35Å; E239-R297 IonicContact OE1-CZ 3.94Å; E239-R297 IonicContact OE1-NH1 3.89Å; E239-R297 IonicContact OE1-NH2 2.66Å; E239-R297 PolarHBondContact OE1-NH2 2.62Å
240R96.3Very high95.3Very high46 Ų4625.2 Ų25.217%0.17415%0.148CC..Hα-helixtrans-67-44.8177-66.7-173.8-178.8177-0.1111.5I209 E210 I211 G237 F238 S243 V244I209-R240 HydrophobicContact CD1-CB 4.27Å; E210-R240 WeakPolarHBondContact O-CD 3.37Å; E210-R240 PolarHBondContact O-NH1 3.45Å; E210-R240 IonicContact OE2-NH1 2.76Å; E210-R240 PolarHBondContact OE2-NH1 3.36Å; I211-R240 HydrophobicContact CG2-CB 4.5Å; G237-R240 PolarHBondContact O-N 3.23Å; F238-R240 VanDerWaalsContact C-N 3.26Å; F238-R240 PolarHBondContact O-N 3.07Å; R240-S243 PolarHBondContact O-N 3.17Å; R240-S243 PolarHBondContact O-OG 3.06Å; R240-V244 WeakPolarHBondContact O-CG2 3.38Å; R240-V244 PolarHBondContact O-N 2.93Å
241L97.2Very high95.8Very high0 Ų018.1 Ų18.10%012%0.122CC..Hα-helixtrans-64.7-43.3177.5178.967.9000111.6V6 L119 F123 L125 L236 G237 F238 S243 V244 I245V6-L241 HydrophobicContact CG1-CD2 3.64Å; V6-L241 HydrophobicContact CG1-CG 4.16Å; L119-L241 HydrophobicContact CD2-CD1 4.17Å; F123-L241 HydrophobicContact CD2-CD2 4.24Å; F123-L241 HydrophobicContact CE2-CD2 3.72Å; F123-L241 HydrophobicContact CZ-CD2 4Å; L125-L241 HydrophobicContact CD1-CD1 4.36Å; L236-L241 HydrophobicContact CD1-CD2 4.15Å; L236-L241 HydrophobicContact CD2-CB 3.91Å; L236-L241 HydrophobicContact CD2-CD2 3.56Å; L236-L241 HydrophobicContact CD2-CG 4.29Å; L236-L241 HydrophobicContact CG-CD2 4.44Å; G237-L241 PolarHBondContact O-N 2.9Å; F238-L241 PolarHBondContact O-N 3.39Å; F238-L241 VanDerWaalsContact O-N 3.17Å; L241-S243 VanDerWaalsContact C-N 3.33Å; L241-S243 PolarHBondContact O-N 3.36Å; L241-V244 WeakPolarHBondContact O-CB 3.48Å; L241-V244 PolarHBondContact O-N 3.16Å; L241-I245 HydrophobicContact CD1-CD1 3.9Å; L241-I245 HydrophobicContact CD1-CG1 4.22Å; L241-I245 HydrophobicContact CD2-CD1 4.13Å; L241-I245 HydrophobicContact CG-CD1 3.72Å; L241-I245 HydrophobicContact CG-CG1 4.36Å; L241-I245 WeakPolarHBondContact O-CG1 3.47Å; L241-I245 PolarHBondContact O-N 3.18Å
242V97.7Very high96Very high0 Ų018 Ų180%012%0.121CC..Hα-helixtrans-60.8-43.3179.4171.90000110.7A3 V6 F238 V244 I245 Q246 T254 L256A3-V242 HydrophobicContact CB-CG1 3.94Å; A3-V242 HydrophobicContact CB-CG2 3.95Å; V6-V242 HydrophobicContact CB-CG2 4.18Å; V6-V242 HydrophobicContact CG1-CG2 4.13Å; V6-V242 HydrophobicContact CG2-CG2 4.32Å; F238-V242 HydrophobicContact CD2-CG2 3.86Å; F238-V242 HydrophobicContact CE1-CG2 4.23Å; F238-V242 HydrophobicContact CE2-CG2 3.52Å; F238-V242 HydrophobicContact CG-CG2 4.36Å; F238-V242 HydrophobicContact CZ-CG2 3.75Å; F238-V242 VanDerWaalsContact O-CG2 3.29Å; F238-V242 WeakPolarHBondContact O-CG2 3.41Å; F238-V242 PolarHBondContact O-N 3.46Å; V242-V244 VanDerWaalsContact C-N 3.32Å; V242-V244 PolarHBondContact O-N 2.98Å; V242-I245 PolarHBondContact O-N 2.94Å; V242-Q246 HydrophobicContact CG1-CG 4.3Å; V242-Q246 WeakPolarHBondContact O-CB 3.42Å; V242-Q246 WeakPolarHBondContact O-CG 3.37Å; V242-Q246 PolarHBondContact O-N 2.95Å; V242-T254 HydrophobicContact CG1-CG2 3.87Å; V242-L256 HydrophobicContact CG1-CD1 4.43Å; V242-L256 HydrophobicContact CG2-CD1 4.47Å
243S96.8Very high96.1Very high0 Ų019.7 Ų19.70%013%0.13CC..Hα-helixtrans-66.7-32.5178.365.50000113R191 E239 R240 L241 G247 V248 N251R191-S243 PolarHBondContact NH2-OG 2.9Å; E239-S243 PolarHBondContact O-N 3.34Å; E239-S243 VanDerWaalsContact O-N 3.12Å; E239-S243 PolarHBondContact O-OG 3.39Å; R240-S243 PolarHBondContact O-N 3.17Å; R240-S243 PolarHBondContact O-OG 3.06Å; L241-S243 VanDerWaalsContact C-N 3.33Å; L241-S243 PolarHBondContact O-N 3.36Å; S243-G247 PolarHBondContact O-N 3.48Å; S243-V248 PolarHBondContact O-N 3.35Å; S243-V248 VanDerWaalsContact O-O 3.11Å; S243-N251 WeakPolarHBondContact CB-OD1 3.39Å; S243-N251 PolarHBondContact OG-OD1 3.48Å
244V96.3Very high96.2Very high10 Ų1019.5 Ų19.56%0.06113%0.129CC..Hα-helixtrans-64.6-51.5169.9171.50000111.1L125 Y189 I209 I211 R240 L241 V242 Q246 G247L125-V244 HydrophobicContact CD1-CG1 4.21Å; L125-V244 HydrophobicContact CD2-CG1 3.79Å; Y189-V244 HydrophobicContact CD1-CB 4.37Å; Y189-V244 HydrophobicContact CD1-CG1 3.57Å; Y189-V244 HydrophobicContact CD1-CG2 3.82Å; Y189-V244 HydrophobicContact CD2-CG1 4.31Å; Y189-V244 HydrophobicContact CE1-CG1 3.48Å; Y189-V244 VanDerWaalsContact CE1-CG1 3.48Å; Y189-V244 HydrophobicContact CE1-CG2 4.38Å; Y189-V244 HydrophobicContact CE2-CG1 4.25Å; Y189-V244 HydrophobicContact CG-CG1 3.98Å; Y189-V244 HydrophobicContact CG-CG2 4.36Å; I209-V244 HydrophobicContact CD1-CG2 3.54Å; I209-V244 HydrophobicContact CG1-CG2 4.34Å; I211-V244 HydrophobicContact CG2-CG2 4.26Å; R240-V244 WeakPolarHBondContact O-CG2 3.38Å; R240-V244 PolarHBondContact O-N 2.93Å; L241-V244 WeakPolarHBondContact O-CB 3.48Å; L241-V244 PolarHBondContact O-N 3.16Å; V242-V244 VanDerWaalsContact C-N 3.32Å; V242-V244 PolarHBondContact O-N 2.98Å; V244-Q246 VanDerWaalsContact C-N 3.28Å; V244-Q246 PolarHBondContact O-N 3.3Å; V244-G247 PolarHBondContact O-N 3.42Å
245I96.8Very high96.2Very high38 Ų3821.8 Ų21.820%0.19514%0.141CC..Hα-helixtrans-64.9-32.5-176.8-70.5173.4000112M1 V6 F123 L125 L241 V242 G247M1-I245 HydrophobicContact CB-CG2 3.79Å; V6-I245 HydrophobicContact CB-CD1 4.42Å; V6-I245 HydrophobicContact CG1-CD1 3.78Å; V6-I245 HydrophobicContact CG2-CB 4.48Å; V6-I245 HydrophobicContact CG2-CD1 3.72Å; V6-I245 HydrophobicContact CG2-CG2 4.11Å; F123-I245 HydrophobicContact CB-CD1 4.21Å; F123-I245 HydrophobicContact CD1-CD1 3.47Å; F123-I245 VanDerWaalsContact CD1-CD1 3.47Å; F123-I245 HydrophobicContact CD2-CD1 4.44Å; F123-I245 HydrophobicContact CE1-CD1 3.87Å; F123-I245 HydrophobicContact CG-CD1 3.8Å; F123-I245 HydrophobicContact CZ-CD1 4.49Å; L125-I245 HydrophobicContact CD2-CG1 4.29Å; L241-I245 HydrophobicContact CD1-CD1 3.9Å; L241-I245 HydrophobicContact CD1-CG1 4.22Å; L241-I245 HydrophobicContact CD2-CD1 4.13Å; L241-I245 HydrophobicContact CG-CD1 3.72Å; L241-I245 HydrophobicContact CG-CG1 4.36Å; L241-I245 WeakPolarHBondContact O-CG1 3.47Å; L241-I245 PolarHBondContact O-N 3.18Å; V242-I245 PolarHBondContact O-N 2.94Å; I245-G247 VanDerWaalsContact C-N 3.32Å
246Q96.6Very high96.2Very high57 Ų5721.4 Ų21.427%0.26614%0.137SC..THydrogen-bonded Turntrans-83.7-7.7176.4-68.3-178.77.200113.3M1 V242 V244 V248 D255M1-Q246 PolarHBondContact O-NE2 3.07Å; V242-Q246 HydrophobicContact CG1-CG 4.3Å; V242-Q246 WeakPolarHBondContact O-CB 3.42Å; V242-Q246 WeakPolarHBondContact O-CG 3.37Å; V242-Q246 PolarHBondContact O-N 2.95Å; V244-Q246 VanDerWaalsContact C-N 3.28Å; V244-Q246 PolarHBondContact O-N 3.3Å; Q246-V248 VanDerWaalsContact C-N 3.31Å; Q246-V248 HydrophobicContact CB-CG2 4.28Å; Q246-V248 PolarHBondContact O-N 3.38Å; Q246-D255 VanDerWaalsContact NE2-CG 3.33Å; Q246-D255 PolarHBondContact NE2-OD1 3.3Å
247G94.8Very high96.2Very high66 Ų6621.4 Ų21.468%0.6814%0.137SC*.THydrogen-bonded Turntrans69.626177.900000114S243 V244 I245S243-G247 PolarHBondContact O-N 3.48Å; V244-G247 PolarHBondContact O-N 3.42Å; I245-G247 VanDerWaalsContact C-N 3.32Å
248V94.5Very high96.2Very high38 Ų3824.3 Ų24.323%0.2315%0.148CC..  trans-105.3145.8179.4-63.70000110.8R191 S243 Q246 S250 D253 T254R191-V248 PolarHBondContact NH1-O 2.71Å; S243-V248 PolarHBondContact O-N 3.35Å; S243-V248 VanDerWaalsContact O-O 3.11Å; Q246-V248 VanDerWaalsContact C-N 3.31Å; Q246-V248 HydrophobicContact CB-CG2 4.28Å; Q246-V248 PolarHBondContact O-N 3.38Å; V248-S250 VanDerWaalsContact C-N 3.32Å; V248-S250 WeakPolarHBondContact CG2-O 3.26Å; V248-S250 PolarHBondContact O-N 3.46Å; V248-D253 HydrophobicContact CB-CB 3.92Å; V248-D253 HydrophobicContact CG1-CB 4.36Å; V248-D253 HydrophobicContact CG2-CB 4.07Å; V248-T254 HydrophobicContact CG2-CG2 3.79Å
249S90.8Very high96.1Very high84 Ų8426.8 Ų26.859%0.58716%0.164SC*.SBendtrans-74.7-18.4-173.243.40000114.7
250S94Very high96.1Very high3 Ų326.6 Ų26.62%0.02116%0.163CC..SBendtrans-126.7142.6-174.1161.80000110.4V248 Y252 D253V248-S250 VanDerWaalsContact C-N 3.32Å; V248-S250 WeakPolarHBondContact CG2-O 3.26Å; V248-S250 PolarHBondContact O-N 3.46Å; S250-Y252 PolarHBondContact O-N 2.7Å; S250-Y252 WeakPolarHBondContact OG-CB 3.32Å; S250-Y252 PolarHBondContact OG-N 3.11Å; S250-Y252 VanDerWaalsContact OG-N 3.08Å; S250-D253 VanDerWaalsContact CB-CG 3.45Å; S250-D253 WeakPolarHBondContact CB-OD1 3.18Å; S250-D253 WeakPolarHBondContact CB-OD2 3.18Å; S250-D253 PolarHBondContact O-N 3.03Å; S250-D253 VanDerWaalsContact O-N 3.14Å; S250-D253 PolarHBondContact OG-OD1 3.04Å
251N95.5Very high96.2Very high1 Ų124.8 Ų24.81%0.00516%0.156CC..G310 helixtrans-61.1-31.9172.7-69.2-4.1000111.4V89 Y90 H92 E239 S243 D253 T254 F257V89-N251 PolarHBondContact O-N 2.91Å; Y90-N251 WeakPolarHBondContact CA-ND2 3.38Å; Y90-N251 PolarHBondContact O-ND2 2.86Å; H92-N251 VanDerWaalsContact NE2-CB 3.27Å; H92-N251 WeakPolarHBondContact NE2-CB 3.38Å; H92-N251 PolarHBondContact NE2-ND2 2.87Å; E239-N251 HydrophobicContact CB-CB 4.25Å; E239-N251 PolarHBondContact O-OD1 2.96Å; S243-N251 WeakPolarHBondContact CB-OD1 3.39Å; S243-N251 PolarHBondContact OG-OD1 3.48Å; N251-D253 PolarHBondContact O-N 3.31Å; N251-T254 WeakPolarHBondContact O-CB 3.3Å; N251-T254 VanDerWaalsContact O-CG2 3.29Å; N251-T254 WeakPolarHBondContact O-CG2 3.49Å; N251-T254 PolarHBondContact O-N 3.48Å; N251-T254 PolarHBondContact O-OG1 3.42Å; N251-F257 VanDerWaalsContact O-CD2 3.25Å; N251-F257 WeakPolarHBondContact O-CD2 3.38Å; N251-F257 WeakPolarHBondContact O-CE2 2.96Å
252Y96.4Very high96.2Very high0 Ų028.5 Ų28.50%018%0.183CC..G310 helixtrans-72.7-12.7179.3-58.8-82.3000113.8H91 H92 S250 T254 F257 F261 R290 D294H91-Y252 PolarHBondContact O-OH 2.81Å; H92-Y252 AromaticContact CE1-CE1 3.72Å; H92-Y252 AromaticContact CE1-CE2 3.85Å; H92-Y252 AromaticContact CE1-CZ 3.5Å; H92-Y252 VanDerWaalsContact CE1-CZ 3.5Å; H92-Y252 AromaticContact ND1-CE1 3.8Å; H92-Y252 AromaticContact ND1-CZ 3.59Å; H92-Y252 PolarHBondContact ND1-OH 3.21Å; S250-Y252 PolarHBondContact O-N 2.7Å; S250-Y252 WeakPolarHBondContact OG-CB 3.32Å; S250-Y252 PolarHBondContact OG-N 3.11Å; S250-Y252 VanDerWaalsContact OG-N 3.08Å; Y252-T254 PolarHBondContact O-N 3.31Å; Y252-F257 AromaticContact CD1-CD1 3.77Å; Y252-F257 HydrophobicContact CD1-CD1 3.77Å; Y252-F257 HydrophobicContact CD1-CD2 4.4Å; Y252-F257 AromaticContact CD1-CE1 3.65Å; Y252-F257 HydrophobicContact CD1-CE1 3.65Å; Y252-F257 HydrophobicContact CD1-CE2 4.29Å; Y252-F257 HydrophobicContact CD1-CG 4.13Å; Y252-F257 AromaticContact CD1-CZ 3.89Å; Y252-F257 HydrophobicContact CD1-CZ 3.89Å; Y252-F257 HydrophobicContact CE1-CD1 4.33Å; Y252-F257 AromaticContact CE1-CE1 3.78Å; Y252-F257 HydrophobicContact CE1-CE1 3.78Å; Y252-F257 HydrophobicContact CE1-CZ 4Å; Y252-F257 WeakPolarHBondContact O-CB 3.17Å; Y252-F261 HydrophobicContact CD1-CZ 4.21Å; Y252-F261 VanDerWaalsContact O-CE2 3.23Å; Y252-F261 WeakPolarHBondContact O-CE2 3.23Å; Y252-R290 HydrophobicContact CD1-CB 3.9Å; Y252-R290 HydrophobicContact CD1-CG 3.74Å; Y252-R290 HydrophobicContact CD2-CB 4.43Å; Y252-R290 HydrophobicContact CD2-CG 3.84Å; Y252-R290 HydrophobicContact CE1-CB 3.79Å; Y252-R290 HydrophobicContact CE1-CG 4.11Å; Y252-R290 HydrophobicContact CE2-CB 4.36Å; Y252-R290 HydrophobicContact CE2-CG 4.23Å; Y252-R290 HydrophobicContact CG-CB 4.19Å; Y252-R290 HydrophobicContact CG-CG 3.57Å; Y252-D294 HydrophobicContact CE1-CB 4.29Å
253D96.1Very high96.1Very high36 Ų3631.8 Ų31.819%0.19320%0.196CC..G310 helixtrans-90.56.7-179.8-59.10.8000111.7V248 S250 N251 Y273V248-D253 HydrophobicContact CB-CB 3.92Å; V248-D253 HydrophobicContact CG1-CB 4.36Å; V248-D253 HydrophobicContact CG2-CB 4.07Å; S250-D253 VanDerWaalsContact CB-CG 3.45Å; S250-D253 WeakPolarHBondContact CB-OD1 3.18Å; S250-D253 WeakPolarHBondContact CB-OD2 3.18Å; S250-D253 PolarHBondContact O-N 3.03Å; S250-D253 VanDerWaalsContact O-N 3.14Å; S250-D253 PolarHBondContact OG-OD1 3.04Å; N251-D253 PolarHBondContact O-N 3.31Å; D253-Y273 WeakPolarHBondContact OD1-CE1 3.29Å; D253-Y273 PolarHBondContact OD1-OH 2.97Å
254T97.3Very high96.1Very high0 Ų031.9 Ų31.90%020%0.196CC..SBendtrans-89.9165.9-178.465.30000112.5V242 V248 N251 Y252 L256 F257 L258V242-T254 HydrophobicContact CG1-CG2 3.87Å; V248-T254 HydrophobicContact CG2-CG2 3.79Å; N251-T254 WeakPolarHBondContact O-CB 3.3Å; N251-T254 VanDerWaalsContact O-CG2 3.29Å; N251-T254 WeakPolarHBondContact O-CG2 3.49Å; N251-T254 PolarHBondContact O-N 3.48Å; N251-T254 PolarHBondContact O-OG1 3.42Å; Y252-T254 PolarHBondContact O-N 3.31Å; T254-L256 PolarHBondContact O-N 3.37Å; T254-L256 PolarHBondContact OG1-N 3.2Å; T254-F257 PolarHBondContact O-N 2.98Å; T254-L258 WeakPolarHBondContact O-CG 3.48Å; T254-L258 PolarHBondContact O-N 2.87Å; T254-L258 VanDerWaalsContact O-N 3.16Å
255D96.7Very high96.1Very high48 Ų4832.5 Ų32.526%0.25720%0.201SC..THydrogen-bonded Turntrans-60.5-7.8173.163.6-25.2000114.5K2 A3 Q246 P259K2-D255 VanDerWaalsContact CA-OD2 3.32Å; K2-D255 WeakPolarHBondContact CA-OD2 3.48Å; K2-D255 VanDerWaalsContact CB-OD2 3.31Å; K2-D255 WeakPolarHBondContact CB-OD2 3.46Å; A3-D255 WeakPolarHBondContact CB-OD1 3.47Å; A3-D255 PolarHBondContact N-OD1 3Å; A3-D255 PolarHBondContact N-OD2 3.44Å; Q246-D255 VanDerWaalsContact NE2-CG 3.33Å; Q246-D255 PolarHBondContact NE2-OD1 3.3Å; D255-P259 WeakPolarHBondContact O-CD 3.11Å
256L96.7Very high95.9Very high4 Ų435 Ų352%0.02122%0.222CC..THydrogen-bonded Turntrans-76.9-19.1172.2-64.4171.1000114.2A3 F238 E239 V242 T254 I350A3-L256 HydrophobicContact CB-CD1 4.15Å; A3-L256 HydrophobicContact CB-CD2 3.54Å; A3-L256 HydrophobicContact CB-CG 3.68Å; F238-L256 HydrophobicContact CD1-CD1 4.02Å; F238-L256 HydrophobicContact CE1-CD1 3.68Å; F238-L256 HydrophobicContact CE1-CD2 3.92Å; F238-L256 HydrophobicContact CE1-CG 4.4Å; E239-L256 HydrophobicContact CG-CD1 4.02Å; V242-L256 HydrophobicContact CG1-CD1 4.43Å; V242-L256 HydrophobicContact CG2-CD1 4.47Å; T254-L256 PolarHBondContact O-N 3.37Å; T254-L256 PolarHBondContact OG1-N 3.2Å; L256-I350 HydrophobicContact CD2-CG2 3.94Å; L256-I350 WeakPolarHBondContact O-CD1 3.47Å
257F97.5Very high95.7Very high0 Ų035.4 Ų35.40%023%0.228CC..THydrogen-bonded Turntrans-127.3-32.7-174.2-67.2-89.8000113.6H92 E239 N251 Y252 T254 P259 I260 F261 A293H92-F257 AromaticContact CE1-CE2 3.89Å; H92-F257 AromaticContact CE1-CZ 3.4Å; H92-F257 WeakPolarHBondContact CE1-CZ 3.35Å; H92-F257 AromaticContact ND1-CZ 3.67Å; E239-F257 HydrophobicContact CG-CE2 4.35Å; N251-F257 VanDerWaalsContact O-CD2 3.25Å; N251-F257 WeakPolarHBondContact O-CD2 3.38Å; N251-F257 WeakPolarHBondContact O-CE2 2.96Å; Y252-F257 AromaticContact CD1-CD1 3.77Å; Y252-F257 HydrophobicContact CD1-CD1 3.77Å; Y252-F257 HydrophobicContact CD1-CD2 4.4Å; Y252-F257 AromaticContact CD1-CE1 3.65Å; Y252-F257 HydrophobicContact CD1-CE1 3.65Å; Y252-F257 HydrophobicContact CD1-CE2 4.29Å; Y252-F257 HydrophobicContact CD1-CG 4.13Å; Y252-F257 AromaticContact CD1-CZ 3.89Å; Y252-F257 HydrophobicContact CD1-CZ 3.89Å; Y252-F257 HydrophobicContact CE1-CD1 4.33Å; Y252-F257 AromaticContact CE1-CE1 3.78Å; Y252-F257 HydrophobicContact CE1-CE1 3.78Å; Y252-F257 HydrophobicContact CE1-CZ 4Å; Y252-F257 WeakPolarHBondContact O-CB 3.17Å; T254-F257 PolarHBondContact O-N 2.98Å; F257-P259 VanDerWaalsContact C-N 3.32Å; F257-I260 WeakPolarHBondContact O-CA 3.38Å; F257-I260 WeakPolarHBondContact O-CB 3.32Å; F257-I260 PolarHBondContact O-N 3.25Å; F257-F261 HydrophobicContact CB-CE1 4.43Å; F257-F261 HydrophobicContact CB-CE2 4.03Å; F257-F261 HydrophobicContact CB-CZ 3.97Å; F257-F261 PolarHBondContact O-N 3Å; F257-A293 HydrophobicContact CD1-CB 4Å
258L96.5Very high95.7Very high76 Ų7633.5 Ų33.540%0.39820%0.203SC..Hα-helixtrans-53-37.8-178.5-67.3177.1000114.6T254 I260 F261 S262T254-L258 WeakPolarHBondContact O-CG 3.48Å; T254-L258 PolarHBondContact O-N 2.87Å; T254-L258 VanDerWaalsContact O-N 3.16Å; L258-I260 VanDerWaalsContact C-N 3.34Å; L258-I260 PolarHBondContact O-N 2.97Å; L258-F261 HydrophobicContact CD2-CD2 4.32Å; L258-F261 PolarHBondContact O-N 3.05Å; L258-S262 WeakPolarHBondContact O-CB 3.41Å; L258-S262 PolarHBondContact O-N 3.13Å; L258-S262 PolarHBondContact O-OG 3.03Å
259P96.8Very high95.5Very high52 Ų5235 Ų3534%0.33823%0.226SC..Hα-helixtrans-63.2-38.2174.8-22.334000113D255 F257 S262 Y263 I350D255-P259 WeakPolarHBondContact O-CD 3.11Å; F257-P259 VanDerWaalsContact C-N 3.32Å; P259-S262 PolarHBondContact O-N 3.46Å; P259-Y263 PolarHBondContact O-N 3.46Å; P259-Y263 VanDerWaalsContact O-N 3.11Å; P259-I350 HydrophobicContact CB-CD1 4.24Å; P259-I350 HydrophobicContact CG-CD1 4.25Å
260I97.7Very high95.5Very high0 Ų032 Ų320%021%0.205CC..Hα-helixtrans-66.3-46.7177.3-54178.8000109.6F257 L258 S262 Y263 I264 A293 R297 L343 Q346 V347 I350F257-I260 WeakPolarHBondContact O-CA 3.38Å; F257-I260 WeakPolarHBondContact O-CB 3.32Å; F257-I260 PolarHBondContact O-N 3.25Å; L258-I260 VanDerWaalsContact C-N 3.34Å; L258-I260 PolarHBondContact O-N 2.97Å; I260-S262 VanDerWaalsContact C-N 3.32Å; I260-S262 PolarHBondContact O-N 3.02Å; I260-Y263 PolarHBondContact O-N 3.24Å; I260-I264 HydrophobicContact CG2-CD1 3.99Å; I260-I264 HydrophobicContact CG2-CG1 4.48Å; I260-I264 WeakPolarHBondContact O-CG1 3.47Å; I260-I264 PolarHBondContact O-N 2.84Å; I260-A293 HydrophobicContact CB-CB 4.19Å; I260-A293 HydrophobicContact CD1-CB 4.29Å; I260-A293 HydrophobicContact CG2-CB 3.74Å; I260-R297 HydrophobicContact CD1-CG 3.97Å; I260-L343 HydrophobicContact CG2-CD2 3.99Å; I260-Q346 HydrophobicContact CG1-CB 4.23Å; I260-V347 HydrophobicContact CD1-CG2 4.17Å; I260-I350 HydrophobicContact CD1-CD1 4.02Å; I260-I350 HydrophobicContact CG1-CD1 3.75Å
261F97.5Very high95.4Very high7 Ų736 Ų363%0.03122%0.22CC..Hα-helixtrans-61.6-40.4178-62-17.6000112.7Y252 F257 L258 Y263 I264 S265 Y273 Y289 R290 A293Y252-F261 HydrophobicContact CD1-CZ 4.21Å; Y252-F261 VanDerWaalsContact O-CE2 3.23Å; Y252-F261 WeakPolarHBondContact O-CE2 3.23Å; F257-F261 HydrophobicContact CB-CE1 4.43Å; F257-F261 HydrophobicContact CB-CE2 4.03Å; F257-F261 HydrophobicContact CB-CZ 3.97Å; F257-F261 PolarHBondContact O-N 3Å; L258-F261 HydrophobicContact CD2-CD2 4.32Å; L258-F261 PolarHBondContact O-N 3.05Å; F261-Y263 VanDerWaalsContact C-N 3.33Å; F261-Y263 PolarHBondContact O-N 3.24Å; F261-I264 PolarHBondContact O-N 3.13Å; F261-S265 PolarHBondContact O-N 2.94Å; F261-Y273 AromaticContact CD2-CD1 3.72Å; F261-Y273 HydrophobicContact CD2-CD1 3.72Å; F261-Y273 HydrophobicContact CD2-CD2 4.27Å; F261-Y273 HydrophobicContact CD2-CE1 4.19Å; F261-Y273 AromaticContact CD2-CG 3.74Å; F261-Y273 HydrophobicContact CD2-CG 3.74Å; F261-Y273 AromaticContact CE2-CD1 3.83Å; F261-Y273 HydrophobicContact CE2-CD1 3.83Å; F261-Y273 HydrophobicContact CE2-CD2 4.08Å; F261-Y273 AromaticContact CE2-CE1 3.84Å; F261-Y273 HydrophobicContact CE2-CE1 3.84Å; F261-Y273 HydrophobicContact CE2-CE2 4.09Å; F261-Y273 AromaticContact CE2-CG 3.94Å; F261-Y273 HydrophobicContact CE2-CG 3.94Å; F261-Y273 AromaticContact CE2-CZ 3.96Å; F261-Y273 HydrophobicContact CG-CG 4.47Å; F261-Y273 HydrophobicContact CZ-CE2 4.49Å; F261-Y289 HydrophobicContact CB-CD1 4.02Å; F261-Y289 HydrophobicContact CB-CE1 4.39Å; F261-Y289 AromaticContact CD1-CD1 3.84Å; F261-Y289 HydrophobicContact CD1-CD1 3.84Å; F261-Y289 HydrophobicContact CD1-CG 4.38Å; F261-Y289 VanDerWaalsContact CE1-O 3.25Å; F261-Y289 WeakPolarHBondContact CE1-O 3.37Å; F261-Y289 HydrophobicContact CG-CD1 4.08Å; F261-R290 HydrophobicContact CZ-CG 4.34Å; F261-A293 HydrophobicContact CD1-CB 3.95Å; F261-A293 HydrophobicContact CE1-CB 3.38Å; F261-A293 HydrophobicContact CZ-CB 4.35Å
262S96.5Very high95.3Very high79 Ų7940.4 Ų40.455%0.55225%0.248SC*.Hα-helixtrans-62-41.5177-59.50000111.5L258 P259 I260 S266L258-S262 WeakPolarHBondContact O-CB 3.41Å; L258-S262 PolarHBondContact O-N 3.13Å; L258-S262 PolarHBondContact O-OG 3.03Å; P259-S262 PolarHBondContact O-N 3.46Å; I260-S262 VanDerWaalsContact C-N 3.32Å; I260-S262 PolarHBondContact O-N 3.02Å; S262-S266 WeakPolarHBondContact O-CB 3.36Å; S262-S266 PolarHBondContact O-N 3.38Å; S262-S266 PolarHBondContact O-OG 2.99Å
263Y96.9Very high95.3Very high69 Ų6942.1 Ų42.127%0.27126%0.255SS..Hα-helixtrans-67.4-42.6175.4-172.4-88.7000112.2P259 I260 F261 S265 S266 V267 S342 L343 Q346P259-Y263 PolarHBondContact O-N 3.46Å; P259-Y263 VanDerWaalsContact O-N 3.11Å; I260-Y263 PolarHBondContact O-N 3.24Å; F261-Y263 VanDerWaalsContact C-N 3.33Å; F261-Y263 PolarHBondContact O-N 3.24Å; Y263-S265 PolarHBondContact O-N 3.03Å; Y263-S266 PolarHBondContact O-N 3.11Å; Y263-S266 PolarHBondContact O-OG 3.13Å; Y263-V267 HydrophobicContact CD1-CG2 4.19Å; Y263-V267 HydrophobicContact CE1-CG2 3.84Å; Y263-V267 HydrophobicContact CE2-CG2 4.37Å; Y263-V267 WeakPolarHBondContact O-CG2 3.32Å; Y263-V267 PolarHBondContact O-N 3.3Å; Y263-S342 WeakPolarHBondContact CE1-OG 3.47Å; Y263-L343 HydrophobicContact CD1-CD2 3.45Å; Y263-L343 VanDerWaalsContact CD1-CD2 3.45Å; Y263-L343 HydrophobicContact CE1-CD2 4.08Å; Y263-L343 HydrophobicContact CG-CD2 4.37Å; Y263-Q346 HydrophobicContact CD1-CG 4.43Å; Y263-Q346 HydrophobicContact CD2-CG 4.23Å; Y263-Q346 HydrophobicContact CG-CG 3.98Å
264I96.5Very high95.2Very high1 Ų143.2 Ų43.21%0.00527%0.265CS..Hα-helixtrans-59-49.5175.8-68.5168.3000110.3I260 F261 S266 V267 T268 Y289 V292 L333 L343I260-I264 HydrophobicContact CG2-CD1 3.99Å; I260-I264 HydrophobicContact CG2-CG1 4.48Å; I260-I264 WeakPolarHBondContact O-CG1 3.47Å; I260-I264 PolarHBondContact O-N 2.84Å; F261-I264 PolarHBondContact O-N 3.13Å; I264-S266 VanDerWaalsContact C-N 3.34Å; I264-S266 PolarHBondContact O-N 2.71Å; I264-V267 PolarHBondContact O-N 3.36Å; I264-T268 HydrophobicContact CG2-CG2 4.23Å; I264-T268 WeakPolarHBondContact O-CB 3.47Å; I264-T268 VanDerWaalsContact O-CG2 3.32Å; I264-T268 WeakPolarHBondContact O-CG2 3.37Å; I264-T268 PolarHBondContact O-N 3.47Å; I264-T268 PolarHBondContact O-OG1 2.91Å; I264-Y289 HydrophobicContact CB-CD1 4.11Å; I264-Y289 HydrophobicContact CB-CE1 3.64Å; I264-Y289 HydrophobicContact CD1-CD1 4.16Å; I264-Y289 HydrophobicContact CG2-CD1 3.83Å; I264-Y289 HydrophobicContact CG2-CE1 3.3Å; I264-V292 HydrophobicContact CD1-CB 4.3Å; I264-V292 HydrophobicContact CD1-CG1 3.71Å; I264-L333 HydrophobicContact CG2-CD1 3.79Å; I264-L343 HydrophobicContact CD1-CD1 4.11Å; I264-L343 HydrophobicContact CD1-CD2 4.33Å; I264-L343 HydrophobicContact CG1-CD1 4.02Å; I264-L343 HydrophobicContact CG1-CD2 3.61Å; I264-L343 HydrophobicContact CG1-CG 4.45Å
265S95.4Very high95Very high24 Ų2444.5 Ų44.517%0.16828%0.279CS..Hα-helixtrans-62.2-39.4179.9-176.60000112.2F261 Y263 V267 G269 C270 Y289F261-S265 PolarHBondContact O-N 2.94Å; Y263-S265 PolarHBondContact O-N 3.03Å; S265-V267 PolarHBondContact O-N 3.4Å; S265-G269 WeakPolarHBondContact O-CA 3.35Å; S265-G269 PolarHBondContact O-N 2.82Å; S265-C270 PolarHBondContact OG-O 3.12Å; S265-Y289 WeakPolarHBondContact CA-OH 3.49Å; S265-Y289 WeakPolarHBondContact CB-OH 3.38Å
266S94.5Very high94.9Very high91 Ų9146.7 Ų46.764%0.63629%0.286SS*.Hα-helixtrans-67.8-33.2-178.773.70000113.7S262 Y263 I264S262-S266 WeakPolarHBondContact O-CB 3.36Å; S262-S266 PolarHBondContact O-N 3.38Å; S262-S266 PolarHBondContact O-OG 2.99Å; Y263-S266 PolarHBondContact O-N 3.11Å; Y263-S266 PolarHBondContact O-OG 3.13Å; I264-S266 VanDerWaalsContact C-N 3.34Å; I264-S266 PolarHBondContact O-N 2.71Å
267V92.4Very high94.6Very high65 Ų6549.1 Ų49.139%0.39430%0.301SS..Hα-helixtrans-88.5-37.8-179.1-176.70000112.2Y263 I264 S265 L339Y263-V267 HydrophobicContact CD1-CG2 4.19Å; Y263-V267 HydrophobicContact CE1-CG2 3.84Å; Y263-V267 HydrophobicContact CE2-CG2 4.37Å; Y263-V267 WeakPolarHBondContact O-CG2 3.32Å; Y263-V267 PolarHBondContact O-N 3.3Å; I264-V267 PolarHBondContact O-N 3.36Å; S265-V267 PolarHBondContact O-N 3.4Å; V267-L339 HydrophobicContact CB-CD1 3.83Å; V267-L339 HydrophobicContact CG1-CD1 3.51Å; V267-L339 HydrophobicContact CG1-CG 4.37Å
268T93.3Very high94.2Very high25 Ų2552.1 Ų52.115%0.15333%0.332CS..Hα-helixtrans-81.7-25.9-177.857.60000113.6I264 C270 L333 A335 L339I264-T268 HydrophobicContact CG2-CG2 4.23Å; I264-T268 WeakPolarHBondContact O-CB 3.47Å; I264-T268 VanDerWaalsContact O-CG2 3.32Å; I264-T268 WeakPolarHBondContact O-CG2 3.37Å; I264-T268 PolarHBondContact O-N 3.47Å; I264-T268 PolarHBondContact O-OG1 2.91Å; T268-C270 PolarHBondContact O-N 2.94Å; T268-C270 WeakPolarHBondContact OG1-CB 3.23Å; T268-C270 PolarHBondContact OG1-N 3.14Å; T268-L333 VanDerWaalsContact CB-O 3.25Å; T268-L333 WeakPolarHBondContact CB-O 3.44Å; T268-L333 HydrophobicContact CG2-CB 4.39Å; T268-L333 VanDerWaalsContact CG2-O 3.28Å; T268-L333 WeakPolarHBondContact CG2-O 3.4Å; T268-A335 HydrophobicContact CG2-CB 4.12Å; T268-L339 HydrophobicContact CG2-CD1 3.55Å
269G91.1Very high93.8Very high69 Ų6955.2 Ų55.271%0.71135%0.354SS*.  trans71.47.8-169.200000113.9S265S265-G269 WeakPolarHBondContact O-CA 3.35Å; S265-G269 PolarHBondContact O-N 2.82Å
270C89.7Confident93.6Very high22 Ų2259.1 Ų59.115%0.14937%0.368CS..PPolyproline II helixtrans-66.9155.5174.2-79.30000111.7S265 T268 L333S265-C270 PolarHBondContact OG-O 3.12Å; T268-C270 PolarHBondContact O-N 2.94Å; T268-C270 WeakPolarHBondContact OG1-CB 3.23Å; T268-C270 PolarHBondContact OG1-N 3.14Å; C270-L333 VanDerWaalsContact SG-C 3.55Å; C270-L333 PolarHBondContact SG-O 3.25Å
271R92.9Very high93.3Very high88 Ų8859.4 Ų59.433%0.33237%0.369SS..PPolyproline II helixtrans-52.6142.4174.567.1165.5-172.175.9-6110S274 D281 V285 D286 Y289R271-S274 PolarHBondContact NH1-OG 2.79Å; R271-S274 VanDerWaalsContact NH1-OG 3.16Å; R271-D281 IonicContact NH2-OD1 3.99Å; R271-D281 PolarHBondContact NH2-OD1 2.86Å; R271-V285 HydrophobicContact CG-CG1 4.09Å; R271-D286 IonicContact CZ-OD1 3.07Å; R271-D286 IonicContact NH1-OD1 3.32Å; R271-D286 PolarHBondContact NH1-OD1 2.66Å; R271-D286 IonicContact NH1-OD2 2.78Å; R271-D286 VanDerWaalsContact NH2-CG 3.31Å; R271-D286 IonicContact NH2-OD1 3.77Å; R271-D286 PolarHBondContact NH2-OD1 2.99Å; R271-D286 VanDerWaalsContact NH2-OD1 3.07Å; R271-D286 IonicContact NH2-OD2 2.85Å; R271-D286 PolarHBondContact NH2-OD2 2.84Å; R271-Y289 WeakPolarHBondContact O-CE2 3.36Å; R271-Y289 PolarHBondContact O-OH 3.41Å; R271-Y289 VanDerWaalsContact O-OH 3.12Å
272P93.6Very high92.9Very high92 Ų9264.9 Ų64.960%0.59740%0.403SS*.PPolyproline II helixtrans-55.6149.4174.4-25.534.7000111.9S274P272-S274 PolarHBondContact O-N 3.19Å
273Y95.4Very high92.5Very high36 Ų3663.5 Ų63.514%0.14140%0.402CS..PPolyproline II helixtrans-55.9132.3171.7172.6-100.7000110.2D253 F261 D286 Y289 R290D253-Y273 WeakPolarHBondContact OD1-CE1 3.29Å; D253-Y273 PolarHBondContact OD1-OH 2.97Å; F261-Y273 AromaticContact CD2-CD1 3.72Å; F261-Y273 HydrophobicContact CD2-CD1 3.72Å; F261-Y273 HydrophobicContact CD2-CD2 4.27Å; F261-Y273 HydrophobicContact CD2-CE1 4.19Å; F261-Y273 AromaticContact CD2-CG 3.74Å; F261-Y273 HydrophobicContact CD2-CG 3.74Å; F261-Y273 AromaticContact CE2-CD1 3.83Å; F261-Y273 HydrophobicContact CE2-CD1 3.83Å; F261-Y273 HydrophobicContact CE2-CD2 4.08Å; F261-Y273 AromaticContact CE2-CE1 3.84Å; F261-Y273 HydrophobicContact CE2-CE1 3.84Å; F261-Y273 HydrophobicContact CE2-CE2 4.09Å; F261-Y273 AromaticContact CE2-CG 3.94Å; F261-Y273 HydrophobicContact CE2-CG 3.94Å; F261-Y273 AromaticContact CE2-CZ 3.96Å; F261-Y273 HydrophobicContact CG-CG 4.47Å; F261-Y273 HydrophobicContact CZ-CE2 4.49Å; Y273-D286 WeakPolarHBondContact CA-OD1 3.43Å; Y273-D286 HydrophobicContact CD2-CB 3.82Å; Y273-D286 HydrophobicContact CE2-CB 3.78Å; Y273-Y289 HydrophobicContact CD2-CD2 4.45Å; Y273-Y289 HydrophobicContact CD2-CG 4.28Å; Y273-R290 HydrophobicContact CE2-CG 4.02Å
274S94.2Very high92.3Very high59 Ų5963.2 Ų63.241%0.41340%0.403SS..  trans-120.74.8-174.165.40000115.1R271 P272 K276 D286R271-S274 PolarHBondContact NH1-OG 2.79Å; R271-S274 VanDerWaalsContact NH1-OG 3.16Å; P272-S274 PolarHBondContact O-N 3.19Å; S274-K276 VanDerWaalsContact C-N 3.27Å; S274-K276 PolarHBondContact O-N 2.7Å; S274-D286 WeakPolarHBondContact CA-OD2 3.26Å; S274-D286 PolarHBondContact N-OD1 3.5Å; S274-D286 PolarHBondContact N-OD2 3.03Å; S274-D286 PolarHBondContact OG-OD2 3.17Å
275G93.1Very high92.2Very high28 Ų2864.2 Ų64.229%0.28941%0.409SS..  trans74.58.4177.900000115.6D286G275-D286 PolarHBondContact N-OD2 2.88Å; G275-D286 VanDerWaalsContact N-OD2 3.13Å
276K94.1Very high92.2Very high93 Ų9363 Ų6340%0.40440%0.401SS..  trans-76.7152.4-177.2-61.8-179.7-174.7-179.10111.6S274 E280 D281 D286 R290S274-K276 VanDerWaalsContact C-N 3.27Å; S274-K276 PolarHBondContact O-N 2.7Å; K276-E280 HydrophobicContact CB-CB 4.24Å; K276-E280 HydrophobicContact CD-CB 4.41Å; K276-E280 WeakPolarHBondContact CD-O 3.17Å; K276-D281 HydrophobicContact CB-CB 4Å; K276-D286 WeakPolarHBondContact CB-OD2 3.23Å; K276-D286 PolarHBondContact N-OD2 2.83Å; K276-D286 WeakPolarHBondContact O-CB 3.43Å; K276-R290 PolarHBondContact O-NH1 3.1Å; K276-R290 PolarHBondContact O-NH2 2.7Å
277V91.4Very high92.2Very high56 Ų5659.7 Ų59.734%0.33938%0.375SS..  trans-136.3161.1-179.4-64.10000110.8V89 T279 E280V89-V277 HydrophobicContact CG1-CG1 3.68Å; V277-T279 PolarHBondContact O-N 3.15Å; V277-E280 PolarHBondContact O-N 2.78Å
278G88.2Confident92.4Very high63 Ų6356.6 Ų56.665%0.64936%0.356SS*.G310 helixtrans57.4-132175.300000113.3E280 D281G278-E280 VanDerWaalsContact C-N 3.27Å; G278-E280 PolarHBondContact O-N 3.39Å; G278-D281 PolarHBondContact O-N 3.39Å
279T88.6Confident92.5Very high141 Ų14155.4 Ų55.487%0.86535%0.349SS*.G310 helixtrans-71.6-18.5-177.551.10000113.8V277V277-T279 PolarHBondContact O-N 3.15Å
280E92.4Very high92.8Very high133 Ų13352.2 Ų52.262%0.62132%0.315SS*.G310 helixtrans-76.6-25.1177.9-60.8-172.1171.200112.5K276 V277 G278 V282K276-E280 HydrophobicContact CB-CB 4.24Å; K276-E280 HydrophobicContact CD-CB 4.41Å; K276-E280 WeakPolarHBondContact CD-O 3.17Å; V277-E280 PolarHBondContact O-N 2.78Å; G278-E280 VanDerWaalsContact C-N 3.27Å; G278-E280 PolarHBondContact O-N 3.39Å; E280-V282 VanDerWaalsContact C-N 3.29Å; E280-V282 PolarHBondContact O-N 3Å
281D92.5Very high93.1Very high6 Ų651.1 Ų51.13%0.03231%0.308CS..SBendtrans-82.973.9175.3-173.920.1000111R271 K276 G278 G283 Q284 V285 D286 M287R271-D281 IonicContact NH2-OD1 3.99Å; R271-D281 PolarHBondContact NH2-OD1 2.86Å; K276-D281 HydrophobicContact CB-CB 4Å; G278-D281 PolarHBondContact O-N 3.39Å; D281-G283 PolarHBondContact O-N 2.99Å; D281-Q284 WeakPolarHBondContact O-CA 3.4Å; D281-Q284 PolarHBondContact O-N 3.5Å; D281-Q284 WeakPolarHBondContact OD2-CA 3.31Å; D281-V285 PolarHBondContact OD1-N 2.98Å; D281-V285 PolarHBondContact OD2-N 3.22Å; D281-D286 VanDerWaalsContact CG-N 3.3Å; D281-D286 PolarHBondContact OD1-N 2.89Å; D281-D286 WeakPolarHBondContact OD2-CA 3.3Å; D281-D286 WeakPolarHBondContact OD2-CB 3.48Å; D281-D286 PolarHBondContact OD2-N 3.38Å; D281-M287 PolarHBondContact OD2-N 2.84Å
282V89.5Confident93.3Very high122 Ų12247 Ų4774%0.73929%0.293SS*.G310 helixtrans-55.9122.7178.6-178.50000110.1E280 Q284E280-V282 VanDerWaalsContact C-N 3.29Å; E280-V282 PolarHBondContact O-N 3Å; V282-Q284 VanDerWaalsContact C-N 3.27Å; V282-Q284 PolarHBondContact O-N 3.41Å
283G87.4Confident93.5Very high51 Ų5142.6 Ų42.653%0.52626%0.264SS..G310 helixtrans80.31.5-176.900000114.8D281 V285D281-G283 PolarHBondContact O-N 2.99Å; G283-V285 VanDerWaalsContact C-N 3.25Å; G283-V285 PolarHBondContact O-N 3.46Å
284Q91.8Very high93.6Very high63 Ų6340.9 Ų40.929%0.29426%0.257SS..G310 helixtrans57.936-178.6-60.2172.9-13.600113.1D281 V282 M287 A288D281-Q284 WeakPolarHBondContact O-CA 3.4Å; D281-Q284 PolarHBondContact O-N 3.5Å; D281-Q284 WeakPolarHBondContact OD2-CA 3.31Å; V282-Q284 VanDerWaalsContact C-N 3.27Å; V282-Q284 PolarHBondContact O-N 3.41Å; Q284-M287 HydrophobicContact CB-CB 4.25Å; Q284-M287 HydrophobicContact CB-CE 3.92Å; Q284-M287 HydrophobicContact CG-CE 4.11Å; Q284-M287 VanDerWaalsContact OE1-CE 3.26Å; Q284-A288 WeakPolarHBondContact O-CB 2.88Å; Q284-A288 PolarHBondContact O-N 2.9Å
285V94.8Very high93.7Very high21 Ų2138 Ų3813%0.12724%0.238CC..Hα-helixtrans-72.5-45.5-175.3173.70000110.4R271 D281 G283 M287 A288 Y289 L333R271-V285 HydrophobicContact CG-CG1 4.09Å; D281-V285 PolarHBondContact OD1-N 2.98Å; D281-V285 PolarHBondContact OD2-N 3.22Å; G283-V285 VanDerWaalsContact C-N 3.25Å; G283-V285 PolarHBondContact O-N 3.46Å; V285-M287 VanDerWaalsContact C-N 3.33Å; V285-M287 PolarHBondContact O-N 3.16Å; V285-A288 WeakPolarHBondContact O-CB 3.49Å; V285-A288 PolarHBondContact O-N 2.98Å; V285-A288 VanDerWaalsContact O-N 3.16Å; V285-Y289 HydrophobicContact CG1-CD2 4Å; V285-Y289 HydrophobicContact CG1-CE2 3.74Å; V285-Y289 VanDerWaalsContact O-CD2 3.22Å; V285-Y289 WeakPolarHBondContact O-CD2 3.44Å; V285-Y289 PolarHBondContact O-N 3.29Å; V285-L333 HydrophobicContact CG1-CD2 3.95Å
286D95.8Very high93.9Very high0 Ų036.7 Ų36.70%022%0.224CC..Hα-helixtrans-66.8-36.5178-71.3-11.7000111.3R271 Y273 S274 G275 K276 D281 A288 Y289 R290R271-D286 IonicContact CZ-OD1 3.07Å; R271-D286 IonicContact NH1-OD1 3.32Å; R271-D286 PolarHBondContact NH1-OD1 2.66Å; R271-D286 IonicContact NH1-OD2 2.78Å; R271-D286 VanDerWaalsContact NH2-CG 3.31Å; R271-D286 IonicContact NH2-OD1 3.77Å; R271-D286 PolarHBondContact NH2-OD1 2.99Å; R271-D286 VanDerWaalsContact NH2-OD1 3.07Å; R271-D286 IonicContact NH2-OD2 2.85Å; R271-D286 PolarHBondContact NH2-OD2 2.84Å; Y273-D286 WeakPolarHBondContact CA-OD1 3.43Å; Y273-D286 HydrophobicContact CD2-CB 3.82Å; Y273-D286 HydrophobicContact CE2-CB 3.78Å; S274-D286 WeakPolarHBondContact CA-OD2 3.26Å; S274-D286 PolarHBondContact N-OD1 3.5Å; S274-D286 PolarHBondContact N-OD2 3.03Å; S274-D286 PolarHBondContact OG-OD2 3.17Å; G275-D286 PolarHBondContact N-OD2 2.88Å; G275-D286 VanDerWaalsContact N-OD2 3.13Å; K276-D286 WeakPolarHBondContact CB-OD2 3.23Å; K276-D286 PolarHBondContact N-OD2 2.83Å; K276-D286 WeakPolarHBondContact O-CB 3.43Å; D281-D286 VanDerWaalsContact CG-N 3.3Å; D281-D286 PolarHBondContact OD1-N 2.89Å; D281-D286 WeakPolarHBondContact OD2-CA 3.3Å; D281-D286 WeakPolarHBondContact OD2-CB 3.48Å; D281-D286 PolarHBondContact OD2-N 3.38Å; D286-A288 VanDerWaalsContact C-N 3.34Å; D286-Y289 WeakPolarHBondContact O-CB 3.26Å; D286-Y289 PolarHBondContact O-N 3.46Å; D286-R290 WeakPolarHBondContact O-CG 3.39Å; D286-R290 PolarHBondContact O-N 3Å; D286-R290 VanDerWaalsContact O-N 3.07Å
287M94.7Very high94.1Very high20 Ų2032.3 Ų32.310%0.09921%0.205CC..Hα-helixtrans-58.9-45169.7177.917198.600111.6G86 K87 D281 Q284 V285 Y289 R290 V291 F328G86-M287 WeakPolarHBondContact O-CG 3.31Å; K87-M287 HydrophobicContact CG-SD 4.25Å; D281-M287 PolarHBondContact OD2-N 2.84Å; Q284-M287 HydrophobicContact CB-CB 4.25Å; Q284-M287 HydrophobicContact CB-CE 3.92Å; Q284-M287 HydrophobicContact CG-CE 4.11Å; Q284-M287 VanDerWaalsContact OE1-CE 3.26Å; V285-M287 VanDerWaalsContact C-N 3.33Å; V285-M287 PolarHBondContact O-N 3.16Å; M287-Y289 PolarHBondContact O-N 3.19Å; M287-R290 PolarHBondContact O-N 2.89Å; M287-V291 HydrophobicContact CG-CG2 4.34Å; M287-V291 WeakPolarHBondContact O-CG2 3.49Å; M287-V291 PolarHBondContact O-N 2.8Å; M287-F328 HydrophobicContact CE-CE1 3.38Å; M287-F328 HydrophobicContact CE-CZ 3.67Å
288A95Very high94.4Very high0 Ų029.7 Ų29.70%019%0.189CC..Hα-helixtrans-63.2-40.517800000112.3Q284 V285 D286 R290 V291 V292 F328 K332 L333Q284-A288 WeakPolarHBondContact O-CB 2.88Å; Q284-A288 PolarHBondContact O-N 2.9Å; V285-A288 WeakPolarHBondContact O-CB 3.49Å; V285-A288 PolarHBondContact O-N 2.98Å; V285-A288 VanDerWaalsContact O-N 3.16Å; D286-A288 VanDerWaalsContact C-N 3.34Å; A288-R290 PolarHBondContact O-N 3.15Å; A288-V291 PolarHBondContact O-N 2.82Å; A288-V292 VanDerWaalsContact O-CB 3.31Å; A288-V292 WeakPolarHBondContact O-CB 3.31Å; A288-V292 WeakPolarHBondContact O-CG2 3.34Å; A288-V292 PolarHBondContact O-N 3.32Å; A288-F328 HydrophobicContact CB-CB 4.22Å; A288-F328 HydrophobicContact CB-CD1 3.84Å; A288-F328 HydrophobicContact CB-CG 4.49Å; A288-K332 HydrophobicContact CB-CB 3.53Å; A288-K332 HydrophobicContact CB-CG 4.16Å; A288-L333 HydrophobicContact CB-CD1 4.11Å; A288-L333 HydrophobicContact CB-CD2 3.86Å; A288-L333 HydrophobicContact CB-CG 3.77Å
289Y97.1Very high94.8Very high0 Ų026.7 Ų26.70%016%0.158CC..Hα-helixtrans-54.7-52171-85.8-80000111F261 I264 S265 R271 Y273 V285 D286 M287 V292 A293 L333F261-Y289 HydrophobicContact CB-CD1 4.02Å; F261-Y289 HydrophobicContact CB-CE1 4.39Å; F261-Y289 AromaticContact CD1-CD1 3.84Å; F261-Y289 HydrophobicContact CD1-CD1 3.84Å; F261-Y289 HydrophobicContact CD1-CG 4.38Å; F261-Y289 VanDerWaalsContact CE1-O 3.25Å; F261-Y289 WeakPolarHBondContact CE1-O 3.37Å; F261-Y289 HydrophobicContact CG-CD1 4.08Å; I264-Y289 HydrophobicContact CB-CD1 4.11Å; I264-Y289 HydrophobicContact CB-CE1 3.64Å; I264-Y289 HydrophobicContact CD1-CD1 4.16Å; I264-Y289 HydrophobicContact CG2-CD1 3.83Å; I264-Y289 HydrophobicContact CG2-CE1 3.3Å; S265-Y289 WeakPolarHBondContact CA-OH 3.49Å; S265-Y289 WeakPolarHBondContact CB-OH 3.38Å; R271-Y289 WeakPolarHBondContact O-CE2 3.36Å; R271-Y289 PolarHBondContact O-OH 3.41Å; R271-Y289 VanDerWaalsContact O-OH 3.12Å; Y273-Y289 HydrophobicContact CD2-CD2 4.45Å; Y273-Y289 HydrophobicContact CD2-CG 4.28Å; V285-Y289 HydrophobicContact CG1-CD2 4Å; V285-Y289 HydrophobicContact CG1-CE2 3.74Å; V285-Y289 VanDerWaalsContact O-CD2 3.22Å; V285-Y289 WeakPolarHBondContact O-CD2 3.44Å; V285-Y289 PolarHBondContact O-N 3.29Å; D286-Y289 WeakPolarHBondContact O-CB 3.26Å; D286-Y289 PolarHBondContact O-N 3.46Å; M287-Y289 PolarHBondContact O-N 3.19Å; Y289-V292 PolarHBondContact O-N 3.34Å; Y289-A293 WeakPolarHBondContact O-CB 3.38Å; Y289-A293 PolarHBondContact O-N 3.42Å; Y289-L333 HydrophobicContact CD2-CD2 3.88Å; Y289-L333 HydrophobicContact CE2-CD2 3.75Å; Y289-L333 HydrophobicContact CG-CD2 4.46Å
290R97.1Very high95.3Very high2 Ų220 Ų201%0.00812%0.117CC..Hα-helixtrans-58.5-50.3-179.8-68.4-171.8-67.8-89.6-1.3112.4G86 Y252 F261 Y273 K276 D286 M287 A288 V292 A293 D294G86-R290 VanDerWaalsContact O-CZ 3.32Å; G86-R290 PolarHBondContact O-NE 2.78Å; G86-R290 PolarHBondContact O-NH2 3.32Å; Y252-R290 HydrophobicContact CD1-CB 3.9Å; Y252-R290 HydrophobicContact CD1-CG 3.74Å; Y252-R290 HydrophobicContact CD2-CB 4.43Å; Y252-R290 HydrophobicContact CD2-CG 3.84Å; Y252-R290 HydrophobicContact CE1-CB 3.79Å; Y252-R290 HydrophobicContact CE1-CG 4.11Å; Y252-R290 HydrophobicContact CE2-CB 4.36Å; Y252-R290 HydrophobicContact CE2-CG 4.23Å; Y252-R290 HydrophobicContact CG-CB 4.19Å; Y252-R290 HydrophobicContact CG-CG 3.57Å; F261-R290 HydrophobicContact CZ-CG 4.34Å; Y273-R290 HydrophobicContact CE2-CG 4.02Å; K276-R290 PolarHBondContact O-NH1 3.1Å; K276-R290 PolarHBondContact O-NH2 2.7Å; D286-R290 WeakPolarHBondContact O-CG 3.39Å; D286-R290 PolarHBondContact O-N 3Å; D286-R290 VanDerWaalsContact O-N 3.07Å; M287-R290 PolarHBondContact O-N 2.89Å; A288-R290 PolarHBondContact O-N 3.15Å; R290-V292 PolarHBondContact O-N 2.93Å; R290-A293 PolarHBondContact O-N 3.07Å; R290-D294 WeakPolarHBondContact O-CB 3.42Å; R290-D294 PolarHBondContact O-N 3.35Å
291V95.4Very high95.5Very high0 Ų013.6 Ų13.60%09%0.087CC..Hα-helixtrans-59.9-48.6179.1174.70000111.2V85 M287 A288 A293 H295 R324 F328V85-V291 WeakPolarHBondContact O-CG2 3.25Å; M287-V291 HydrophobicContact CG-CG2 4.34Å; M287-V291 WeakPolarHBondContact O-CG2 3.49Å; M287-V291 PolarHBondContact O-N 2.8Å; A288-V291 PolarHBondContact O-N 2.82Å; V291-A293 PolarHBondContact O-N 3.03Å; V291-H295 VanDerWaalsContact O-CB 3.23Å; V291-H295 WeakPolarHBondContact O-CB 3.28Å; V291-H295 VanDerWaalsContact O-CG 3.23Å; V291-H295 PolarHBondContact O-N 3.18Å; V291-H295 PolarHBondContact O-ND1 2.68Å; V291-R324 HydrophobicContact CG1-CG 4.15Å; V291-F328 HydrophobicContact CB-CD2 4.2Å; V291-F328 HydrophobicContact CB-CG 4.24Å; V291-F328 HydrophobicContact CG1-CB 4.33Å; V291-F328 HydrophobicContact CG1-CD2 3.61Å; V291-F328 HydrophobicContact CG1-CE2 4.17Å; V291-F328 HydrophobicContact CG1-CG 4.06Å; V291-F328 HydrophobicContact CG2-CD2 4.37Å; V291-F328 HydrophobicContact CG2-CE2 4.37Å
292V97Very high95.5Very high0 Ų013.3 Ų13.30%09%0.086CC..Hα-helixtrans-62.8-44.9-176.8169.90000111.1I264 A288 Y289 R290 I296 F328 A329 L333 F340 L343I264-V292 HydrophobicContact CD1-CB 4.3Å; I264-V292 HydrophobicContact CD1-CG1 3.71Å; A288-V292 VanDerWaalsContact O-CB 3.31Å; A288-V292 WeakPolarHBondContact O-CB 3.31Å; A288-V292 WeakPolarHBondContact O-CG2 3.34Å; A288-V292 PolarHBondContact O-N 3.32Å; Y289-V292 PolarHBondContact O-N 3.34Å; R290-V292 PolarHBondContact O-N 2.93Å; V292-I296 WeakPolarHBondContact O-CG2 3.42Å; V292-I296 PolarHBondContact O-N 2.83Å; V292-F328 HydrophobicContact CG2-CB 3.99Å; V292-A329 HydrophobicContact CG2-CB 3.89Å; V292-L333 HydrophobicContact CG2-CD1 4.05Å; V292-F340 HydrophobicContact CG1-CD2 3.99Å; V292-F340 HydrophobicContact CG1-CE2 4Å; V292-L343 HydrophobicContact CG1-CD1 3.58Å
293A97.7Very high95.7Very high0 Ų07.7 Ų7.70%05%0.051CC..Hα-helixtrans-70.3-40.5-179.200000113.1F257 I260 F261 Y289 R290 V291 I296 R297F257-A293 HydrophobicContact CD1-CB 4Å; I260-A293 HydrophobicContact CB-CB 4.19Å; I260-A293 HydrophobicContact CD1-CB 4.29Å; I260-A293 HydrophobicContact CG2-CB 3.74Å; F261-A293 HydrophobicContact CD1-CB 3.95Å; F261-A293 HydrophobicContact CE1-CB 3.38Å; F261-A293 HydrophobicContact CZ-CB 4.35Å; Y289-A293 WeakPolarHBondContact O-CB 3.38Å; Y289-A293 PolarHBondContact O-N 3.42Å; R290-A293 PolarHBondContact O-N 3.07Å; V291-A293 PolarHBondContact O-N 3.03Å; A293-I296 WeakPolarHBondContact O-CG2 3.22Å; A293-R297 VanDerWaalsContact O-CG 3.29Å; A293-R297 WeakPolarHBondContact O-CG 3.45Å; A293-R297 PolarHBondContact O-N 2.94Å
294D97.6Very high95.9Very high0 Ų06.7 Ų6.70%04%0.036CC..Hα-helixtrans-62.4-50174.9172.988.2000111.3V85 H92 T93 Y252 R290 I296 R297 A298V85-D294 HydrophobicContact CG1-CB 3.83Å; V85-D294 WeakPolarHBondContact CG1-OD2 3.31Å; H92-D294 WeakPolarHBondContact CA-OD1 3.33Å; H92-D294 VanDerWaalsContact CB-OD1 3.3Å; H92-D294 WeakPolarHBondContact CB-OD1 3.5Å; H92-D294 IonicContact CG-OD1 2.93Å; H92-D294 IonicContact ND1-OD1 2.68Å; T93-D294 VanDerWaalsContact CB-OD2 3.29Å; T93-D294 WeakPolarHBondContact CB-OD2 3.17Å; T93-D294 VanDerWaalsContact CG2-OD2 3.29Å; T93-D294 WeakPolarHBondContact CG2-OD2 3.32Å; T93-D294 PolarHBondContact N-OD1 3.32Å; T93-D294 PolarHBondContact N-OD2 3.48Å; T93-D294 PolarHBondContact OG1-OD2 3.33Å; Y252-D294 HydrophobicContact CE1-CB 4.29Å; R290-D294 WeakPolarHBondContact O-CB 3.42Å; R290-D294 PolarHBondContact O-N 3.35Å; D294-I296 PolarHBondContact O-N 3.16Å; D294-R297 WeakPolarHBondContact O-CB 3.36Å; D294-R297 PolarHBondContact O-N 3.31Å; D294-R297 VanDerWaalsContact O-N 3.15Å; D294-A298 PolarHBondContact O-N 2.99Å
295H97Very high95.8Very high0 Ų04.1 Ų4.10%03%0.025CC..Hα-helixtrans-68.1-36.1-174.7-72.716.8000112.7V291 R297 A298 L299 I321 R324 F340V291-H295 VanDerWaalsContact O-CB 3.23Å; V291-H295 WeakPolarHBondContact O-CB 3.28Å; V291-H295 VanDerWaalsContact O-CG 3.23Å; V291-H295 PolarHBondContact O-N 3.18Å; V291-H295 PolarHBondContact O-ND1 2.68Å; H295-R297 VanDerWaalsContact C-N 3.34Å; H295-A298 PolarHBondContact O-N 3.45Å; H295-L299 WeakPolarHBondContact O-CB 3.29Å; H295-L299 WeakPolarHBondContact O-CD1 3.32Å; H295-L299 VanDerWaalsContact O-CG 3.22Å; H295-L299 WeakPolarHBondContact O-CG 3.37Å; H295-L299 PolarHBondContact O-N 2.86Å; H295-I321 HydrophobicContact CB-CG2 3.62Å; H295-I321 PolarHBondContact CD2-O 2.94Å; H295-R324 WeakPolarHBondContact NE2-CD 3.41Å; H295-F340 HydrophobicContact CB-CZ 4.29Å
296I97.9Very high95.2Very high0 Ų04.8 Ų4.80%04%0.036CC..Hα-helixtrans-68.3-34.7174.1-16767.7000112V292 A293 D294 T300 F340 L343 V344 V347 I369V292-I296 WeakPolarHBondContact O-CG2 3.42Å; V292-I296 PolarHBondContact O-N 2.83Å; A293-I296 WeakPolarHBondContact O-CG2 3.22Å; D294-I296 PolarHBondContact O-N 3.16Å; I296-T300 VanDerWaalsContact O-CB 3.32Å; I296-T300 WeakPolarHBondContact O-CB 3.34Å; I296-T300 PolarHBondContact O-N 3.31Å; I296-T300 PolarHBondContact O-OG1 2.98Å; I296-F340 HydrophobicContact CB-CE2 4.01Å; I296-F340 HydrophobicContact CB-CZ 4.15Å; I296-F340 HydrophobicContact CD1-CD1 4.32Å; I296-F340 HydrophobicContact CD1-CE1 4.12Å; I296-F340 HydrophobicContact CD1-CE2 4.41Å; I296-F340 HydrophobicContact CD1-CZ 4.16Å; I296-F340 VanDerWaalsContact CD1-O 3.25Å; I296-F340 WeakPolarHBondContact CD1-O 3.28Å; I296-L343 HydrophobicContact CB-CB 4.37Å; I296-L343 HydrophobicContact CG1-CB 3.8Å; I296-L343 HydrophobicContact CG2-CB 4.08Å; I296-L343 HydrophobicContact CG2-CD1 4.23Å; I296-V344 HydrophobicContact CD1-CG2 3.97Å; I296-V344 HydrophobicContact CG1-CG2 4.44Å; I296-V347 HydrophobicContact CG1-CG2 4.29Å; I296-V347 HydrophobicContact CG2-CG2 3.91Å; I296-I369 HydrophobicContact CD1-CD1 3.71Å
297R97.8Very high94.5Very high1 Ų15 Ų50%0.0044%0.038CC..Hα-helixtrans-60.4-50.2172.4-73.4176.768.8-155-4.7110.3F94 E239 I260 A293 D294 H295 L299 T300 V301 V347F94-R297 HydrophobicContact CD1-CB 3.98Å; E239-R297 IonicContact OE1-CZ 3.94Å; E239-R297 IonicContact OE1-NH1 3.89Å; E239-R297 IonicContact OE1-NH2 2.66Å; E239-R297 PolarHBondContact OE1-NH2 2.62Å; I260-R297 HydrophobicContact CD1-CG 3.97Å; A293-R297 VanDerWaalsContact O-CG 3.29Å; A293-R297 WeakPolarHBondContact O-CG 3.45Å; A293-R297 PolarHBondContact O-N 2.94Å; D294-R297 WeakPolarHBondContact O-CB 3.36Å; D294-R297 PolarHBondContact O-N 3.31Å; D294-R297 VanDerWaalsContact O-N 3.15Å; H295-R297 VanDerWaalsContact C-N 3.34Å; R297-L299 PolarHBondContact O-N 3.23Å; R297-T300 PolarHBondContact O-N 3.1Å; R297-V301 WeakPolarHBondContact O-CG2 3.41Å; R297-V301 PolarHBondContact O-N 3.15Å; R297-V301 VanDerWaalsContact O-N 3.09Å; R297-V347 HydrophobicContact CB-CG1 4.47Å; R297-V347 HydrophobicContact CG-CG1 4.16Å; R297-V347 HydrophobicContact CG-CG2 3.95Å
298A97.2Very high94Very high0 Ų08.7 Ų8.70%05%0.05CC..Hα-helixtrans-60-44.3178.800000113.2T93 F94 D294 H295 A302 I321T93-A298 VanDerWaalsContact OG1-CB 3.24Å; T93-A298 WeakPolarHBondContact OG1-CB 3.44Å; F94-A298 HydrophobicContact CB-CB 3.55Å; D294-A298 PolarHBondContact O-N 2.99Å; H295-A298 PolarHBondContact O-N 3.45Å; A298-A302 VanDerWaalsContact O-CB 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.46Å; A298-A302 PolarHBondContact O-N 2.92Å; A298-I321 HydrophobicContact CB-CG2 4.45Å
299L97.2Very high93.3Very high0 Ų08.9 Ų8.90%05%0.052CC..Hα-helixtrans-67.7-43.4178.7-70.7164000112.1H295 R297 V301 A302 L303 L318 I321 L322 F340H295-L299 WeakPolarHBondContact O-CB 3.29Å; H295-L299 WeakPolarHBondContact O-CD1 3.32Å; H295-L299 VanDerWaalsContact O-CG 3.22Å; H295-L299 WeakPolarHBondContact O-CG 3.37Å; H295-L299 PolarHBondContact O-N 2.86Å; R297-L299 PolarHBondContact O-N 3.23Å; L299-V301 VanDerWaalsContact C-N 3.31Å; L299-V301 PolarHBondContact O-N 3.38Å; L299-A302 PolarHBondContact O-N 3.27Å; L299-L303 HydrophobicContact CB-CD1 4.49Å; L299-L303 VanDerWaalsContact O-CB 3.22Å; L299-L303 WeakPolarHBondContact O-CB 3.48Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 3.04Å; L299-L318 HydrophobicContact CD2-CB 4.35Å; L299-L318 WeakPolarHBondContact CD2-O 3.34Å; L299-I321 HydrophobicContact CD1-CG2 4.12Å; L299-I321 HydrophobicContact CD2-CB 4.38Å; L299-I321 HydrophobicContact CD2-CG2 4.21Å; L299-I321 HydrophobicContact CG-CG2 3.87Å; L299-L322 HydrophobicContact CD1-CB 3.77Å; L299-L322 HydrophobicContact CD1-CG 4.15Å; L299-L322 HydrophobicContact CD2-CB 4.02Å; L299-F340 HydrophobicContact CD1-CE1 3.47Å; L299-F340 VanDerWaalsContact CD1-CE1 3.47Å; L299-F340 HydrophobicContact CD1-CZ 3.75Å
300T97.7Very high91.9Very high0 Ų010.9 Ų10.90%06%0.062CC..Hα-helixtrans-57.9-49.5178.4-56.90000109.9I296 R297 S304 V344 V347 V348 M358I296-T300 VanDerWaalsContact O-CB 3.32Å; I296-T300 WeakPolarHBondContact O-CB 3.34Å; I296-T300 PolarHBondContact O-N 3.31Å; I296-T300 PolarHBondContact O-OG1 2.98Å; R297-T300 PolarHBondContact O-N 3.1Å; T300-S304 VanDerWaalsContact O-CB 3.27Å; T300-S304 WeakPolarHBondContact O-CB 3.3Å; T300-S304 PolarHBondContact O-N 3.08Å; T300-S304 PolarHBondContact O-OG 3.45Å; T300-V344 HydrophobicContact CG2-CG1 4.03Å; T300-V347 HydrophobicContact CG2-CB 4.2Å; T300-V347 HydrophobicContact CG2-CG1 3.88Å; T300-V348 HydrophobicContact CG2-CG2 4.37Å; T300-M358 HydrophobicContact CG2-CG 4.37Å; T300-M358 HydrophobicContact CG2-SD 3.94Å
301V96.6Very high90.3Very high0 Ų014 Ų140%08%0.084CC..Hα-helixtrans-59.2-53.4177.1168.10000111.7V28 K71 F94 R297 L299 L303 S304 D305 L351 M358V28-V301 HydrophobicContact CB-CG1 4.37Å; V28-V301 HydrophobicContact CG1-CG1 3.46Å; V28-V301 VanDerWaalsContact CG1-CG1 3.46Å; V28-V301 HydrophobicContact CG2-CG1 3.98Å; K71-V301 HydrophobicContact CB-CG1 4.29Å; K71-V301 HydrophobicContact CD-CG1 3.82Å; K71-V301 HydrophobicContact CG-CG1 4.37Å; F94-V301 HydrophobicContact CD1-CG2 4.41Å; F94-V301 HydrophobicContact CD2-CB 4.32Å; F94-V301 HydrophobicContact CD2-CG1 4.14Å; F94-V301 HydrophobicContact CD2-CG2 4.18Å; F94-V301 HydrophobicContact CE1-CG2 4.03Å; F94-V301 HydrophobicContact CE2-CB 4.24Å; F94-V301 HydrophobicContact CE2-CG1 3.9Å; F94-V301 HydrophobicContact CE2-CG2 3.79Å; F94-V301 HydrophobicContact CG-CG2 4.48Å; F94-V301 HydrophobicContact CZ-CG2 3.71Å; R297-V301 WeakPolarHBondContact O-CG2 3.41Å; R297-V301 PolarHBondContact O-N 3.15Å; R297-V301 VanDerWaalsContact O-N 3.09Å; L299-V301 VanDerWaalsContact C-N 3.31Å; L299-V301 PolarHBondContact O-N 3.38Å; V301-L303 PolarHBondContact O-N 2.84Å; V301-S304 PolarHBondContact O-N 3.38Å; V301-D305 WeakPolarHBondContact O-CB 3.31Å; V301-D305 PolarHBondContact O-N 3.41Å; V301-L351 HydrophobicContact CG2-CD1 4.35Å; V301-M358 HydrophobicContact CB-SD 4.37Å; V301-M358 HydrophobicContact CG2-CE 4.41Å; V301-M358 HydrophobicContact CG2-SD 3.52Å; V301-M358 VanDerWaalsContact CG2-SD 3.52Å
302A94.2Very high88.7Confident0 Ų018.4 Ų18.40%011%0.112CC..Hα-helixtrans-65.6-37.9-175.100000113.3V28 I73 A298 L299 D305 G306 G307 L318V28-A302 HydrophobicContact CG2-CB 4.09Å; I73-A302 HydrophobicContact CD1-CB 3.9Å; A298-A302 VanDerWaalsContact O-CB 3.3Å; A298-A302 WeakPolarHBondContact O-CB 3.46Å; A298-A302 PolarHBondContact O-N 2.92Å; L299-A302 PolarHBondContact O-N 3.27Å; A302-D305 PolarHBondContact O-N 3.11Å; A302-G306 PolarHBondContact O-N 3.24Å; A302-G307 VanDerWaalsContact O-CA 3.28Å; A302-G307 WeakPolarHBondContact O-CA 3.37Å; A302-G307 PolarHBondContact O-N 3.39Å; A302-L318 HydrophobicContact CB-CD1 4Å; A302-L318 HydrophobicContact CB-CD2 3.44Å; A302-L318 VanDerWaalsContact CB-CD2 3.44Å; A302-L318 HydrophobicContact CB-CG 4.38Å
303L92.5Very high87.3Confident3 Ų320.5 Ų20.52%0.01613%0.133CC..Hα-helixtrans-74-36.7179.9-63.6179.1000111.8L299 V301 D305 G306 G307 R308 P309 L318 V365 I368 I369L299-L303 HydrophobicContact CB-CD1 4.49Å; L299-L303 VanDerWaalsContact O-CB 3.22Å; L299-L303 WeakPolarHBondContact O-CB 3.48Å; L299-L303 WeakPolarHBondContact O-CG 3.37Å; L299-L303 PolarHBondContact O-N 3.04Å; V301-L303 PolarHBondContact O-N 2.84Å; L303-D305 VanDerWaalsContact C-N 3.3Å; L303-G306 PolarHBondContact O-N 3.18Å; L303-G306 VanDerWaalsContact O-N 3.16Å; L303-G307 WeakPolarHBondContact CD2-O 3.3Å; L303-R308 PolarHBondContact O-NH1 3.49Å; L303-P309 HydrophobicContact CD2-CG 4.25Å; L303-L318 HydrophobicContact CD2-CD1 4.38Å; L303-V365 HydrophobicContact CB-CG1 4.01Å; L303-V365 HydrophobicContact CB-CG2 4.13Å; L303-V365 HydrophobicContact CD1-CG1 3.91Å; L303-I368 HydrophobicContact CD1-CB 4.47Å; L303-I368 HydrophobicContact CD1-CG2 4.12Å; L303-I368 HydrophobicContact CD2-CG2 4.18Å; L303-I369 HydrophobicContact CD1-CD1 4.06Å; L303-I369 HydrophobicContact CD1-CG1 3.66Å
304S92.8Very high86.4Confident31 Ų3124 Ų2422%0.21715%0.146CC..Hα-helixtrans-65.4-32.8171.8-660000112.5T300 V301 G306 M358T300-S304 VanDerWaalsContact O-CB 3.27Å; T300-S304 WeakPolarHBondContact O-CB 3.3Å; T300-S304 PolarHBondContact O-N 3.08Å; T300-S304 PolarHBondContact O-OG 3.45Å; V301-S304 PolarHBondContact O-N 3.38Å; S304-G306 PolarHBondContact O-N 3.42Å; S304-M358 WeakPolarHBondContact OG-CA 3.46Å
305D89.8Confident85.5Confident9 Ų924.2 Ų24.25%0.04815%0.149CC..THydrogen-bonded Turntrans-80.18.3173.5-77.5-15.5000113.8P27 V28 I29 K71 V301 A302 L303P27-D305 VanDerWaalsContact CA-OD2 3.27Å; P27-D305 WeakPolarHBondContact CA-OD2 3.41Å; P27-D305 HydrophobicContact CB-CB 3.96Å; V28-D305 HydrophobicContact CG2-CB 4.05Å; V28-D305 PolarHBondContact N-OD2 3.03Å; I29-D305 HydrophobicContact CG1-CB 4.27Å; K71-D305 WeakPolarHBondContact CE-OD2 3.43Å; K71-D305 IonicContact NZ-OD1 3.88Å; K71-D305 PolarHBondContact NZ-OD1 3.38Å; K71-D305 IonicContact NZ-OD2 3.96Å; K71-D305 PolarHBondContact NZ-OD2 3.24Å; V301-D305 WeakPolarHBondContact O-CB 3.31Å; V301-D305 PolarHBondContact O-N 3.41Å; A302-D305 PolarHBondContact O-N 3.11Å; L303-D305 VanDerWaalsContact C-N 3.3Å
306G82.2Confident84.5Confident35 Ų3526.5 Ų26.536%0.36116%0.158SC..THydrogen-bonded Turntrans91.30.3174.100000115.3A302 L303 S304A302-G306 PolarHBondContact O-N 3.24Å; L303-G306 PolarHBondContact O-N 3.18Å; L303-G306 VanDerWaalsContact O-N 3.16Å; S304-G306 PolarHBondContact O-N 3.42Å
307G81.2Confident83.9Confident4 Ų426.8 Ų26.84%0.04116%0.16CC..  trans-60.2147.9169.100000111.3A302 L303A302-G307 VanDerWaalsContact O-CA 3.28Å; A302-G307 WeakPolarHBondContact O-CA 3.37Å; A302-G307 PolarHBondContact O-N 3.39Å; L303-G307 WeakPolarHBondContact CD2-O 3.3Å
308R84.1Confident83.5Confident97 Ų9726.8 Ų26.837%0.36616%0.16SC..  trans-137.8139.7176.5-65.6-65.8178.5-97.38.7109.6L303 D310 G315 I368L303-R308 PolarHBondContact O-NH1 3.49Å; R308-D310 PolarHBondContact O-N 3.41Å; R308-G315 WeakPolarHBondContact O-CA 3.44Å; R308-I368 VanDerWaalsContact CZ-CD1 3.5Å
309P79.4Confident82.9Confident4 Ų428.4 Ų28.43%0.02617%0.166CC..  trans-62.5133.2174.2-22.336.7000110.3L303 G315 R319 L322 I368 E372L303-P309 HydrophobicContact CD2-CG 4.25Å; P309-G315 WeakPolarHBondContact CA-O 3.39Å; P309-R319 HydrophobicContact CB-CB 4.09Å; P309-L322 HydrophobicContact CG-CD1 4.44Å; P309-I368 HydrophobicContact CG-CG2 4.13Å; P309-E372 HydrophobicContact CB-CG 3.68Å; P309-E372 HydrophobicContact CG-CG 3.8Å
310D68.5Low82.4Confident42 Ų4230.1 Ų30.123%0.22517%0.172CC..  trans-149178.2-177.9-161.73.6000110.6R308 G315 Y316 R319R308-D310 PolarHBondContact O-N 3.41Å; D310-G315 PolarHBondContact N-O 3.33Å; D310-G315 CarbonylContact O-C 3.47Å; D310-Y316 WeakPolarHBondContact O-CA 3.25Å; D310-Y316 PolarHBondContact O-N 3.33Å; D310-R319 WeakPolarHBondContact O-CD 3.44Å; D310-R319 PolarHBondContact O-NH1 3.35Å
311S62.2Low82.1Confident67 Ų6730.1 Ų30.147%0.46917%0.172SC..SBendtrans-85.5-11.1178.457.60000113.6R319S311-R319 VanDerWaalsContact N-NH1 3.2Å
312T62.6Low82Confident94 Ų9430.1 Ų30.158%0.57717%0.172SC*.SBendtrans-137.2164.3-176.767.10000113G315 Y316T312-G315 PolarHBondContact O-N 3.22Å; T312-Y316 PolarHBondContact O-N 3.1Å
313G66.9Low81.7Confident44 Ų4431.2 Ų31.245%0.45418%0.177SC..Hα-helixtrans55.3-138.3172.500000114.2G315 Y316G313-G315 VanDerWaalsContact C-N 3.3Å; G313-G315 PolarHBondContact O-N 3.07Å; G313-Y316 WeakPolarHBondContact O-CB 3.48Å; G313-Y316 PolarHBondContact O-N 2.9Å
314R78.7Confident81.6Confident72 Ų7231.3 Ų31.327%0.27218%0.177SC..Hα-helixtrans-66.3-32.4178.871.2-172.279.5-158.78112.6L37 F38 Y316 V317 L318L37-R314 HydrophobicContact CB-CB 4.17Å; L37-R314 HydrophobicContact CD2-CB 4.3Å; L37-R314 PolarHBondContact O-NH1 2.84Å; L37-R314 VanDerWaalsContact O-NH1 3.11Å; F38-R314 HydrophobicContact CE1-CB 4.08Å; F38-R314 HydrophobicContact CE2-CB 4.17Å; F38-R314 HydrophobicContact CZ-CB 3.73Å; F38-R314 WeakPolarHBondContact CZ-O 3.45Å; R314-Y316 VanDerWaalsContact C-N 3.28Å; R314-Y316 PolarHBondContact O-N 3.1Å; R314-V317 WeakPolarHBondContact O-CB 3.41Å; R314-V317 PolarHBondContact O-N 3.35Å; R314-V317 VanDerWaalsContact O-N 3.14Å; R314-L318 PolarHBondContact O-N 3.31Å
315G78.7Confident81.7Confident5 Ų529.9 Ų29.95%0.05217%0.166CC..Hα-helixtrans-64.8-33.517700000112.6R308 P309 D310 T312 G313 L318 R319R308-G315 WeakPolarHBondContact O-CA 3.44Å; P309-G315 WeakPolarHBondContact CA-O 3.39Å; D310-G315 PolarHBondContact N-O 3.33Å; D310-G315 CarbonylContact O-C 3.47Å; T312-G315 PolarHBondContact O-N 3.22Å; G313-G315 VanDerWaalsContact C-N 3.3Å; G313-G315 PolarHBondContact O-N 3.07Å; G315-L318 PolarHBondContact O-N 2.89Å; G315-R319 WeakPolarHBondContact O-CB 3.49Å; G315-R319 PolarHBondContact O-N 3.44Å
316Y76.4Confident81.9Confident48 Ų4829.4 Ų29.419%0.18816%0.164CC..Hα-helixtrans-61.4-43.2171.2177.6-107.9000112.5D310 T312 G313 R314 R319 R320 Y409D310-Y316 WeakPolarHBondContact O-CA 3.25Å; D310-Y316 PolarHBondContact O-N 3.33Å; T312-Y316 PolarHBondContact O-N 3.1Å; G313-Y316 WeakPolarHBondContact O-CB 3.48Å; G313-Y316 PolarHBondContact O-N 2.9Å; R314-Y316 VanDerWaalsContact C-N 3.28Å; R314-Y316 PolarHBondContact O-N 3.1Å; Y316-R319 WeakPolarHBondContact O-CB 3.39Å; Y316-R319 PolarHBondContact O-N 2.97Å; Y316-R320 HydrophobicContact CE1-CG 4.12Å; Y316-R320 HydrophobicContact CE2-CG 4.35Å; Y316-R320 WeakPolarHBondContact O-CG 3.49Å; Y316-R320 PolarHBondContact O-N 3.06Å; Y316-Y409 AromaticContact CE2-CE2 3.72Å; Y316-Y409 HydrophobicContact CE2-CE2 3.72Å; Y316-Y409 WeakPolarHBondContact CE2-OH 3.28Å; Y316-Y409 AromaticContact CZ-CE2 3.98Å; Y316-Y409 WeakPolarHBondContact OH-CE2 3.31Å
317V84.7Confident82.2Confident7 Ų728 Ų284%0.04215%0.148CC..Hα-helixtrans-63.6-46.5176.4-179.50000111.1L37 F38 A75 R314 R319 R320 I321L37-V317 HydrophobicContact CD1-CG2 3.88Å; F38-V317 HydrophobicContact CE2-CB 3.75Å; F38-V317 HydrophobicContact CE2-CG1 3.73Å; F38-V317 HydrophobicContact CE2-CG2 4.21Å; F38-V317 HydrophobicContact CZ-CB 4.11Å; F38-V317 HydrophobicContact CZ-CG1 4.29Å; A75-V317 HydrophobicContact CB-CG1 3.53Å; A75-V317 VanDerWaalsContact O-CG1 3.31Å; A75-V317 WeakPolarHBondContact O-CG1 3.29Å; R314-V317 WeakPolarHBondContact O-CB 3.41Å; R314-V317 PolarHBondContact O-N 3.35Å; R314-V317 VanDerWaalsContact O-N 3.14Å; V317-R319 VanDerWaalsContact C-N 3.26Å; V317-R319 PolarHBondContact O-N 3.41Å; V317-R320 WeakPolarHBondContact O-CB 3.5Å; V317-R320 PolarHBondContact O-N 3.01Å; V317-I321 HydrophobicContact CG1-CD1 4.03Å; V317-I321 HydrophobicContact CG1-CG1 4.43Å; V317-I321 WeakPolarHBondContact O-CG1 3.42Å; V317-I321 PolarHBondContact O-N 3.28Å
318L89.9Confident82.8Confident0 Ų027.9 Ų27.90%015%0.146CC..Hα-helixtrans-59.6-39.9176.7-63.2-177.1000111.6F38 L299 A302 L303 R314 G315 R320 I321 L322F38-L318 HydrophobicContact CE1-CD1 4.46Å; F38-L318 HydrophobicContact CE1-CD2 3.75Å; F38-L318 HydrophobicContact CE1-CG 4.1Å; F38-L318 HydrophobicContact CZ-CD2 3.67Å; F38-L318 HydrophobicContact CZ-CG 3.87Å; L299-L318 HydrophobicContact CD2-CB 4.35Å; L299-L318 WeakPolarHBondContact CD2-O 3.34Å; A302-L318 HydrophobicContact CB-CD1 4Å; A302-L318 HydrophobicContact CB-CD2 3.44Å; A302-L318 VanDerWaalsContact CB-CD2 3.44Å; A302-L318 HydrophobicContact CB-CG 4.38Å; L303-L318 HydrophobicContact CD2-CD1 4.38Å; R314-L318 PolarHBondContact O-N 3.31Å; G315-L318 PolarHBondContact O-N 2.89Å; L318-R320 PolarHBondContact O-N 3.1Å; L318-I321 PolarHBondContact O-N 2.95Å; L318-L322 WeakPolarHBondContact O-CB 3.39Å; L318-L322 PolarHBondContact O-N 3.48Å
319R85.1Confident83.2Confident34 Ų3423.4 Ų23.413%0.12813%0.13CC..Hα-helixtrans-62.4-40.3174.1179.8173.5-82.8162.24.7112P309 D310 S311 G315 Y316 V317 R323 E372P309-R319 HydrophobicContact CB-CB 4.09Å; D310-R319 WeakPolarHBondContact O-CD 3.44Å; D310-R319 PolarHBondContact O-NH1 3.35Å; S311-R319 VanDerWaalsContact N-NH1 3.2Å; G315-R319 WeakPolarHBondContact O-CB 3.49Å; G315-R319 PolarHBondContact O-N 3.44Å; Y316-R319 WeakPolarHBondContact O-CB 3.39Å; Y316-R319 PolarHBondContact O-N 2.97Å; V317-R319 VanDerWaalsContact C-N 3.26Å; V317-R319 PolarHBondContact O-N 3.41Å; R319-R323 HydrophobicContact CG-CG 4.4Å; R319-R323 WeakPolarHBondContact O-CB 3.21Å; R319-R323 WeakPolarHBondContact O-CG 3.09Å; R319-R323 PolarHBondContact O-N 2.87Å; R319-E372 IonicContact CZ-OE1 2.61Å; R319-E372 IonicContact CZ-OE2 3.41Å; R319-E372 IonicContact NE-OE1 2.67Å; R319-E372 IonicContact NE-OE2 2.76Å; R319-E372 PolarHBondContact NE-OE2 3.02Å; R319-E372 IonicContact NH2-OE1 3.79Å; R319-E372 PolarHBondContact NH2-OE1 3.41Å; R319-E372 IonicContact NH2-OE2 3.61Å
320R86.1Confident83.8Confident37 Ų3725.1 Ų25.114%0.1414%0.14CC..Hα-helixtrans-62.3-50.1175-74.7179.261.5-166.8-1.4112Y316 V317 L318 L322 R323 R324 D417Y316-R320 HydrophobicContact CE1-CG 4.12Å; Y316-R320 HydrophobicContact CE2-CG 4.35Å; Y316-R320 WeakPolarHBondContact O-CG 3.49Å; Y316-R320 PolarHBondContact O-N 3.06Å; V317-R320 WeakPolarHBondContact O-CB 3.5Å; V317-R320 PolarHBondContact O-N 3.01Å; L318-R320 PolarHBondContact O-N 3.1Å; R320-L322 VanDerWaalsContact C-N 3.34Å; R320-L322 PolarHBondContact O-N 2.96Å; R320-R323 PolarHBondContact O-N 3.46Å; R320-R324 WeakPolarHBondContact O-CB 3.38Å; R320-R324 PolarHBondContact O-N 2.9Å; R320-D417 IonicContact CZ-OD2 3.72Å; R320-D417 IonicContact NE-OD1 2.76Å; R320-D417 PolarHBondContact NE-OD1 3.05Å; R320-D417 IonicContact NE-OD2 3.62Å; R320-D417 PolarHBondContact NE-OD2 3.42Å; R320-D417 VanDerWaalsContact NH2-CG 3.29Å; R320-D417 IonicContact NH2-OD2 3.52Å; R320-D417 PolarHBondContact NH2-OD2 3.08Å
321I92.3Very high84.7Confident0 Ų027.1 Ų27.10%015%0.148CC..Hα-helixtrans-55.8-48.3176.7-64.4169.3000110.5A75 L82 H295 A298 L299 V317 L318 R323 R324 G325A75-I321 HydrophobicContact CB-CD1 3.79Å; A75-I321 HydrophobicContact CB-CG1 4.39Å; L82-I321 HydrophobicContact CD1-CG1 3.97Å; H295-I321 HydrophobicContact CB-CG2 3.62Å; H295-I321 PolarHBondContact CD2-O 2.94Å; A298-I321 HydrophobicContact CB-CG2 4.45Å; L299-I321 HydrophobicContact CD1-CG2 4.12Å; L299-I321 HydrophobicContact CD2-CB 4.38Å; L299-I321 HydrophobicContact CD2-CG2 4.21Å; L299-I321 HydrophobicContact CG-CG2 3.87Å; V317-I321 HydrophobicContact CG1-CD1 4.03Å; V317-I321 HydrophobicContact CG1-CG1 4.43Å; V317-I321 WeakPolarHBondContact O-CG1 3.42Å; V317-I321 PolarHBondContact O-N 3.28Å; L318-I321 PolarHBondContact O-N 2.95Å; I321-R323 PolarHBondContact O-N 3.26Å; I321-R324 PolarHBondContact O-N 2.79Å; I321-G325 PolarHBondContact O-N 3.46Å
322L93.4Very high86.1Confident0 Ų026.2 Ų26.20%014%0.136CC..Hα-helixtrans-59.3-50178.3-172.2156.6000112.1L299 P309 L318 R320 R324 G325 V326 F340 I369 E372L299-L322 HydrophobicContact CD1-CB 3.77Å; L299-L322 HydrophobicContact CD1-CG 4.15Å; L299-L322 HydrophobicContact CD2-CB 4.02Å; P309-L322 HydrophobicContact CG-CD1 4.44Å; L318-L322 WeakPolarHBondContact O-CB 3.39Å; L318-L322 PolarHBondContact O-N 3.48Å; R320-L322 VanDerWaalsContact C-N 3.34Å; R320-L322 PolarHBondContact O-N 2.96Å; L322-R324 VanDerWaalsContact C-N 3.35Å; L322-R324 PolarHBondContact O-N 3.43Å; L322-G325 PolarHBondContact O-N 3.13Å; L322-V326 HydrophobicContact CD2-CG2 3.85Å; L322-V326 WeakPolarHBondContact O-CG2 3.46Å; L322-V326 PolarHBondContact O-N 2.91Å; L322-F340 HydrophobicContact CG-CE1 4.33Å; L322-I369 HydrophobicContact CD1-CB 4.42Å; L322-I369 HydrophobicContact CD1-CG1 4.29Å; L322-I369 HydrophobicContact CD1-CG2 4.29Å; L322-E372 HydrophobicContact CD1-CB 3.61Å; L322-E372 HydrophobicContact CD1-CG 4.09Å; L322-E372 HydrophobicContact CD2-CB 3.83Å; L322-E372 HydrophobicContact CG-CB 4.4Å
323R88.9Confident87.6Confident23 Ų2321.8 Ų21.89%0.08711%0.109CC..Hα-helixtrans-66.3-37.4-176.9-69177.3173.8-173.8-8.9112.3R319 R320 I321 R327 F376 G413 L418R319-R323 HydrophobicContact CG-CG 4.4Å; R319-R323 WeakPolarHBondContact O-CB 3.21Å; R319-R323 WeakPolarHBondContact O-CG 3.09Å; R319-R323 PolarHBondContact O-N 2.87Å; R320-R323 PolarHBondContact O-N 3.46Å; I321-R323 PolarHBondContact O-N 3.26Å; R323-R327 WeakPolarHBondContact O-CB 3.35Å; R323-R327 PolarHBondContact O-N 3.12Å; R323-F376 HydrophobicContact CB-CD1 4.03Å; R323-F376 HydrophobicContact CB-CD2 4Å; R323-F376 HydrophobicContact CB-CE1 3.88Å; R323-F376 HydrophobicContact CB-CE2 3.85Å; R323-F376 HydrophobicContact CB-CG 4.09Å; R323-F376 HydrophobicContact CB-CZ 3.8Å; R323-F376 HydrophobicContact CG-CB 4.06Å; R323-F376 HydrophobicContact CG-CD1 3.94Å; R323-F376 HydrophobicContact CG-CD2 3.51Å; R323-F376 HydrophobicContact CG-CE1 4.27Å; R323-F376 HydrophobicContact CG-CE2 3.89Å; R323-F376 HydrophobicContact CG-CG 3.55Å; R323-F376 HydrophobicContact CG-CZ 4.25Å; R323-F376 VanDerWaalsContact O-CE1 3.23Å; R323-F376 WeakPolarHBondContact O-CE1 3.38Å; R323-G413 PolarHBondContact NH1-O 3.05Å; R323-L418 HydrophobicContact CB-CD1 3.96Å
324R90.5Very high88.8Confident5 Ų525.4 Ų25.42%0.01912%0.118CC..Hα-helixtrans-63.3-47.8172.5-175.1169.2171160.9-7.8111L82 D83 V85 V291 H295 R320 I321 L322 V326 R327 F328 L418L82-R324 PolarHBondContact O-NH1 3.33Å; L82-R324 PolarHBondContact O-NH2 3.37Å; D83-R324 PolarHBondContact O-NH2 3.4Å; D83-R324 IonicContact OD1-NH1 3.65Å; D83-R324 PolarHBondContact OD1-NH1 3.44Å; D83-R324 VanDerWaalsContact OD1-NH1 3.12Å; V85-R324 PolarHBondContact O-NH2 3.03Å; V291-R324 HydrophobicContact CG1-CG 4.15Å; H295-R324 WeakPolarHBondContact NE2-CD 3.41Å; R320-R324 WeakPolarHBondContact O-CB 3.38Å; R320-R324 PolarHBondContact O-N 2.9Å; I321-R324 PolarHBondContact O-N 2.79Å; L322-R324 VanDerWaalsContact C-N 3.35Å; L322-R324 PolarHBondContact O-N 3.43Å; R324-V326 PolarHBondContact O-N 3.01Å; R324-R327 PolarHBondContact O-N 3.44Å; R324-F328 HydrophobicContact CG-CD2 3.93Å; R324-F328 HydrophobicContact CG-CE2 3.89Å; R324-F328 WeakPolarHBondContact O-CD2 3.39Å; R324-F328 PolarHBondContact O-N 3.45Å; R324-L418 HydrophobicContact CB-CD2 4.15Å; R324-L418 HydrophobicContact CG-CD2 4.45Å
325G93.9Very high89.4Confident0 Ų022.3 Ų22.30%011%0.107CC..Hα-helixtrans-58.3-48.9176.500000112.9I321 L322 R327 F328 A329I321-G325 PolarHBondContact O-N 3.46Å; L322-G325 PolarHBondContact O-N 3.13Å; G325-R327 PolarHBondContact O-N 2.93Å; G325-F328 PolarHBondContact O-N 3.19Å; G325-A329 WeakPolarHBondContact O-CB 3.29Å; G325-A329 PolarHBondContact O-N 3.49Å
326V93.6Very high90Very high0 Ų025.2 Ų25.20%013%0.126CC..Hα-helixtrans-60.4-44.2176.9170.50000111.5L322 R324 A329 T330 F340 E373 F376 L377L322-V326 HydrophobicContact CD2-CG2 3.85Å; L322-V326 WeakPolarHBondContact O-CG2 3.46Å; L322-V326 PolarHBondContact O-N 2.91Å; R324-V326 PolarHBondContact O-N 3.01Å; V326-A329 PolarHBondContact O-N 3.27Å; V326-T330 WeakPolarHBondContact O-CB 3.38Å; V326-T330 PolarHBondContact O-N 2.96Å; V326-T330 PolarHBondContact O-OG1 3.04Å; V326-T330 VanDerWaalsContact O-OG1 3.1Å; V326-F340 HydrophobicContact CG2-CB 4.25Å; V326-F340 HydrophobicContact CG2-CD1 3.68Å; V326-F340 HydrophobicContact CG2-CE1 4.27Å; V326-F340 HydrophobicContact CG2-CG 4.08Å; V326-E373 HydrophobicContact CG1-CG 3.9Å; V326-E373 HydrophobicContact CG2-CB 4.09Å; V326-E373 HydrophobicContact CG2-CG 3.94Å; V326-F376 HydrophobicContact CB-CD1 4.11Å; V326-F376 HydrophobicContact CB-CE1 4.36Å; V326-F376 HydrophobicContact CG1-CD1 3.84Å; V326-F376 HydrophobicContact CG1-CE1 4.22Å; V326-L377 HydrophobicContact CG1-CD2 4.01Å; V326-L377 HydrophobicContact CG1-CG 4.37Å
327R89.9Confident90.7Very high4 Ų427.8 Ų27.82%0.01515%0.148CC..Hα-helixtrans-59.1-51.6178.4-178.1-169.9166.1-130.9-17.6111.4R323 R324 G325 A329 T330 E331 F376 L421 E425R323-R327 WeakPolarHBondContact O-CB 3.35Å; R323-R327 PolarHBondContact O-N 3.12Å; R324-R327 PolarHBondContact O-N 3.44Å; G325-R327 PolarHBondContact O-N 2.93Å; R327-A329 VanDerWaalsContact C-N 3.32Å; R327-A329 PolarHBondContact O-N 3.4Å; R327-T330 PolarHBondContact O-N 2.96Å; R327-E331 HydrophobicContact CG-CG 4.21Å; R327-E331 IonicContact CZ-OE2 3.71Å; R327-E331 IonicContact NE-OE1 3.79Å; R327-E331 IonicContact NE-OE2 2.99Å; R327-E331 PolarHBondContact NE-OE2 3.12Å; R327-E331 IonicContact NH2-OE2 3.79Å; R327-E331 PolarHBondContact NH2-OE2 2.64Å; R327-E331 VanDerWaalsContact NH2-OE2 3.17Å; R327-E331 WeakPolarHBondContact O-CB 3.45Å; R327-E331 PolarHBondContact O-N 2.64Å; R327-F376 HydrophobicContact CB-CE1 4.37Å; R327-L421 VanDerWaalsContact NH1-CD2 3.33Å; R327-E425 IonicContact CZ-OE1 3.63Å; R327-E425 VanDerWaalsContact CZ-OE1 3.31Å; R327-E425 IonicContact NH1-OE1 2.75Å; R327-E425 PolarHBondContact NH1-OE1 3.41Å; R327-E425 VanDerWaalsContact NH2-CD 3.28Å; R327-E425 IonicContact NH2-OE1 3.35Å; R327-E425 PolarHBondContact NH2-OE1 3.47Å; R327-E425 IonicContact NH2-OE2 2.84Å; R327-E425 PolarHBondContact NH2-OE2 3.49Å
328F92.4Very high91.2Very high2 Ų228.5 Ų28.51%0.00916%0.157CC..Hα-helixtrans-62.3-40.4179.6-85.1-79.2000112M287 A288 V291 V292 R324 G325 K332 L333 L421M287-F328 HydrophobicContact CE-CE1 3.38Å; M287-F328 HydrophobicContact CE-CZ 3.67Å; A288-F328 HydrophobicContact CB-CB 4.22Å; A288-F328 HydrophobicContact CB-CD1 3.84Å; A288-F328 HydrophobicContact CB-CG 4.49Å; V291-F328 HydrophobicContact CB-CD2 4.2Å; V291-F328 HydrophobicContact CB-CG 4.24Å; V291-F328 HydrophobicContact CG1-CB 4.33Å; V291-F328 HydrophobicContact CG1-CD2 3.61Å; V291-F328 HydrophobicContact CG1-CE2 4.17Å; V291-F328 HydrophobicContact CG1-CG 4.06Å; V291-F328 HydrophobicContact CG2-CD2 4.37Å; V291-F328 HydrophobicContact CG2-CE2 4.37Å; V292-F328 HydrophobicContact CG2-CB 3.99Å; R324-F328 HydrophobicContact CG-CD2 3.93Å; R324-F328 HydrophobicContact CG-CE2 3.89Å; R324-F328 WeakPolarHBondContact O-CD2 3.39Å; R324-F328 PolarHBondContact O-N 3.45Å; G325-F328 PolarHBondContact O-N 3.19Å; F328-K332 HydrophobicContact CD1-CG 3.84Å; F328-K332 HydrophobicContact CE1-CG 4.32Å; F328-K332 WeakPolarHBondContact O-CB 3.32Å; F328-K332 PolarHBondContact O-N 3.19Å; F328-K332 VanDerWaalsContact O-N 3.1Å; F328-L333 PolarHBondContact O-N 3.16Å; F328-L421 HydrophobicContact CE2-CD2 3.67Å; F328-L421 HydrophobicContact CZ-CD2 3.88Å
329A94Very high91.4Very high3 Ų328.8 Ų28.83%0.02516%0.158CC..Hα-helixtrans-59.9-50.2174.800000111.5V292 G325 V326 R327 L333 N334 A335V292-A329 HydrophobicContact CG2-CB 3.89Å; G325-A329 WeakPolarHBondContact O-CB 3.29Å; G325-A329 PolarHBondContact O-N 3.49Å; V326-A329 PolarHBondContact O-N 3.27Å; R327-A329 VanDerWaalsContact C-N 3.32Å; R327-A329 PolarHBondContact O-N 3.4Å; A329-L333 CarbonylContact O-C 3.56Å; A329-L333 WeakPolarHBondContact O-CA 3.36Å; A329-L333 WeakPolarHBondContact O-CB 3.15Å; A329-L333 PolarHBondContact O-N 3.14Å; A329-N334 PolarHBondContact O-N 3.45Å; A329-A335 HydrophobicContact CB-CB 3.8Å; A329-A335 WeakPolarHBondContact O-CB 3.32Å; A329-A335 PolarHBondContact O-N 3.01Å
330T90.6Very high91.9Very high40 Ų4027.2 Ų27.225%0.24515%0.152CC..Hα-helixtrans-72.9-47.9-176.8-560000112.9V326 R327 N334 L377V326-T330 WeakPolarHBondContact O-CB 3.38Å; V326-T330 PolarHBondContact O-N 2.96Å; V326-T330 PolarHBondContact O-OG1 3.04Å; V326-T330 VanDerWaalsContact O-OG1 3.1Å; R327-T330 PolarHBondContact O-N 2.96Å; T330-N334 WeakPolarHBondContact O-CA 3.24Å; T330-N334 PolarHBondContact O-N 3.05Å; T330-L377 HydrophobicContact CG2-CD2 4.5Å
331E88Confident92.4Very high85 Ų8525.4 Ų25.440%0.39715%0.146SC..Hα-helixtrans-83.1-33.8-170.5-68.1-178.1-178.700113.9R327R327-E331 HydrophobicContact CG-CG 4.21Å; R327-E331 IonicContact CZ-OE2 3.71Å; R327-E331 IonicContact NE-OE1 3.79Å; R327-E331 IonicContact NE-OE2 2.99Å; R327-E331 PolarHBondContact NE-OE2 3.12Å; R327-E331 IonicContact NH2-OE2 3.79Å; R327-E331 PolarHBondContact NH2-OE2 2.64Å; R327-E331 VanDerWaalsContact NH2-OE2 3.17Å; R327-E331 WeakPolarHBondContact O-CB 3.45Å; R327-E331 PolarHBondContact O-N 2.64Å
332K91.4Very high92.6Very high47 Ų4726.6 Ų26.620%0.20415%0.154CC..Hα-helixtrans-106.3-27.4-174.4-52.2-66.1-178.1167.40112.8A288 F328 E425A288-K332 HydrophobicContact CB-CB 3.53Å; A288-K332 HydrophobicContact CB-CG 4.16Å; F328-K332 HydrophobicContact CD1-CG 3.84Å; F328-K332 HydrophobicContact CE1-CG 4.32Å; F328-K332 WeakPolarHBondContact O-CB 3.32Å; F328-K332 PolarHBondContact O-N 3.19Å; F328-K332 VanDerWaalsContact O-N 3.1Å; K332-E425 IonicContact NZ-OE2 2.9Å; K332-E425 PolarHBondContact NZ-OE2 2.9Å
333L94.3Very high92.9Very high1 Ų126.6 Ų26.61%0.00515%0.154CC..Hα-helixtrans-110.94.1-179.5-52.9176.9000113.4I264 T268 C270 V285 A288 Y289 V292 F328 A329 A335I264-L333 HydrophobicContact CG2-CD1 3.79Å; T268-L333 VanDerWaalsContact CB-O 3.25Å; T268-L333 WeakPolarHBondContact CB-O 3.44Å; T268-L333 HydrophobicContact CG2-CB 4.39Å; T268-L333 VanDerWaalsContact CG2-O 3.28Å; T268-L333 WeakPolarHBondContact CG2-O 3.4Å; C270-L333 VanDerWaalsContact SG-C 3.55Å; C270-L333 PolarHBondContact SG-O 3.25Å; V285-L333 HydrophobicContact CG1-CD2 3.95Å; A288-L333 HydrophobicContact CB-CD1 4.11Å; A288-L333 HydrophobicContact CB-CD2 3.86Å; A288-L333 HydrophobicContact CB-CG 3.77Å; Y289-L333 HydrophobicContact CD2-CD2 3.88Å; Y289-L333 HydrophobicContact CE2-CD2 3.75Å; Y289-L333 HydrophobicContact CG-CD2 4.46Å; V292-L333 HydrophobicContact CG2-CD1 4.05Å; F328-L333 PolarHBondContact O-N 3.16Å; A329-L333 CarbonylContact O-C 3.56Å; A329-L333 WeakPolarHBondContact O-CA 3.36Å; A329-L333 WeakPolarHBondContact O-CB 3.15Å; A329-L333 PolarHBondContact O-N 3.14Å; L333-A335 PolarHBondContact O-N 2.98Å; L333-A335 VanDerWaalsContact O-N 3.07Å
334N91.3Very high93.3Very high121 Ų12125.5 Ų25.565%0.64715%0.15SC*.  trans50.134-178.3-64.1-47000113.7A329 T330A329-N334 PolarHBondContact O-N 3.45Å; T330-N334 WeakPolarHBondContact O-CA 3.24Å; T330-N334 PolarHBondContact O-N 3.05Å
335A92.4Very high93.6Very high6 Ų628.1 Ų28.15%0.0517%0.168CC..PPolyproline II helixtrans-68.8130.3-178.500000111.3T268 A329 L333 L339T268-A335 HydrophobicContact CG2-CB 4.12Å; A329-A335 HydrophobicContact CB-CB 3.8Å; A329-A335 WeakPolarHBondContact O-CB 3.32Å; A329-A335 PolarHBondContact O-N 3.01Å; L333-A335 PolarHBondContact O-N 2.98Å; L333-A335 VanDerWaalsContact O-N 3.07Å; A335-L339 HydrophobicContact CB-CB 4.04Å; A335-L339 HydrophobicContact CB-CD1 3.85Å; A335-L339 HydrophobicContact CB-CD2 3.97Å; A335-L339 HydrophobicContact CB-CG 4.17Å
336P91.5Very high93.8Very high67 Ų6730.6 Ų30.644%0.43518%0.179SC..PPolyproline II helixtrans-67.5153.1172.429-34.9000111.1G338 L339P336-G338 PolarHBondContact O-N 3.33Å; P336-L339 HydrophobicContact CG-CB 4.38Å; P336-L339 HydrophobicContact CG-CD1 4.43Å; P336-L339 VanDerWaalsContact O-CB 3.29Å; P336-L339 WeakPolarHBondContact O-CB 3.15Å; P336-L339 PolarHBondContact O-N 2.95Å; P336-L339 VanDerWaalsContact O-N 3.1Å
337P91.3Very high94Very high101 Ų10130.6 Ų30.666%0.65618%0.179SC*.THydrogen-bonded Turntrans-51.8132.8175.1-27.235000112.3E373 L377P337-E373 WeakPolarHBondContact CA-OE1 3.42Å; P337-L377 HydrophobicContact CB-CD1 3.92Å; P337-L377 HydrophobicContact CG-CD1 3.91Å
338G93.6Very high94.4Very high23 Ų2331.6 Ų31.624%0.23719%0.186CC..THydrogen-bonded Turntrans91.6-9.1-178.500000115P336 F340 A341 S342 N370 E373P336-G338 PolarHBondContact O-N 3.33Å; G338-F340 VanDerWaalsContact C-N 3.27Å; G338-F340 PolarHBondContact O-N 3.31Å; G338-A341 PolarHBondContact O-N 3.31Å; G338-S342 PolarHBondContact O-N 2.95Å; G338-S342 VanDerWaalsContact O-N 3.13Å; G338-N370 WeakPolarHBondContact CA-OD1 3.19Å; G338-E373 WeakPolarHBondContact CA-OE2 3.37Å; G338-E373 PolarHBondContact N-OE1 3.05Å; G338-E373 PolarHBondContact N-OE2 3.5Å
339L94Very high94.6Very high5 Ų535.1 Ų35.13%0.02622%0.215CC..Hα-helixtrans-61.2-39172.9-176.4150.6000111.2V267 T268 A335 P336 A341 S342 L343V267-L339 HydrophobicContact CB-CD1 3.83Å; V267-L339 HydrophobicContact CG1-CD1 3.51Å; V267-L339 HydrophobicContact CG1-CG 4.37Å; T268-L339 HydrophobicContact CG2-CD1 3.55Å; A335-L339 HydrophobicContact CB-CB 4.04Å; A335-L339 HydrophobicContact CB-CD1 3.85Å; A335-L339 HydrophobicContact CB-CD2 3.97Å; A335-L339 HydrophobicContact CB-CG 4.17Å; P336-L339 HydrophobicContact CG-CB 4.38Å; P336-L339 HydrophobicContact CG-CD1 4.43Å; P336-L339 VanDerWaalsContact O-CB 3.29Å; P336-L339 WeakPolarHBondContact O-CB 3.15Å; P336-L339 PolarHBondContact O-N 2.95Å; P336-L339 VanDerWaalsContact O-N 3.1Å; L339-A341 PolarHBondContact O-N 3.47Å; L339-S342 WeakPolarHBondContact CA-OG 3.15Å; L339-S342 WeakPolarHBondContact O-CB 3.37Å; L339-S342 PolarHBondContact O-N 2.89Å; L339-S342 PolarHBondContact O-OG 3.14Å; L339-L343 HydrophobicContact CD2-CD1 4.28Å; L339-L343 HydrophobicContact CD2-CG 4.42Å; L339-L343 PolarHBondContact O-N 3.29Å
340F96.5Very high94.7Very high1 Ų136.7 Ų36.70%0.00422%0.222CC..Hα-helixtrans-61.9-43.7-177-168.2-118.2000111.7V292 H295 I296 L299 L322 V326 G338 S342 L343 I369V292-F340 HydrophobicContact CG1-CD2 3.99Å; V292-F340 HydrophobicContact CG1-CE2 4Å; H295-F340 HydrophobicContact CB-CZ 4.29Å; I296-F340 HydrophobicContact CB-CE2 4.01Å; I296-F340 HydrophobicContact CB-CZ 4.15Å; I296-F340 HydrophobicContact CD1-CD1 4.32Å; I296-F340 HydrophobicContact CD1-CE1 4.12Å; I296-F340 HydrophobicContact CD1-CE2 4.41Å; I296-F340 HydrophobicContact CD1-CZ 4.16Å; I296-F340 VanDerWaalsContact CD1-O 3.25Å; I296-F340 WeakPolarHBondContact CD1-O 3.28Å; L299-F340 HydrophobicContact CD1-CE1 3.47Å; L299-F340 VanDerWaalsContact CD1-CE1 3.47Å; L299-F340 HydrophobicContact CD1-CZ 3.75Å; L322-F340 HydrophobicContact CG-CE1 4.33Å; V326-F340 HydrophobicContact CG2-CB 4.25Å; V326-F340 HydrophobicContact CG2-CD1 3.68Å; V326-F340 HydrophobicContact CG2-CE1 4.27Å; V326-F340 HydrophobicContact CG2-CG 4.08Å; G338-F340 VanDerWaalsContact C-N 3.27Å; G338-F340 PolarHBondContact O-N 3.31Å; F340-S342 VanDerWaalsContact C-N 3.34Å; F340-S342 PolarHBondContact O-N 2.99Å; F340-L343 HydrophobicContact CD2-CD1 4.36Å; F340-L343 WeakPolarHBondContact O-CB 3.07Å; F340-L343 PolarHBondContact O-N 3.39Å; F340-I369 HydrophobicContact CD1-CG2 3.69Å; F340-I369 HydrophobicContact CE1-CG2 4.32Å
341A97.2Very high94.9Very high0 Ų034.8 Ų34.80%021%0.211CC..Hα-helixtrans-65.8-33.8172.500000112.8G338 L339 L343 V344 M366 I369 N370G338-A341 PolarHBondContact O-N 3.31Å; L339-A341 PolarHBondContact O-N 3.47Å; A341-L343 PolarHBondContact O-N 2.96Å; A341-V344 WeakPolarHBondContact O-CB 2.96Å; A341-V344 VanDerWaalsContact O-CG2 3.29Å; A341-V344 WeakPolarHBondContact O-CG2 3.49Å; A341-V344 PolarHBondContact O-N 3.45Å; A341-M366 HydrophobicContact CB-CB 4.22Å; A341-M366 HydrophobicContact CB-CG 4.4Å; A341-M366 WeakPolarHBondContact O-CG 3.49Å; A341-I369 HydrophobicContact CB-CB 4.07Å; A341-I369 HydrophobicContact CB-CG2 3.86Å; A341-N370 WeakPolarHBondContact CB-OD1 3.17Å
342S96.9Very high95.2Very high25 Ų2531.1 Ų31.118%0.17520%0.196CC..Hα-helixtrans-64.9-9.817977.90000114.8Y263 G338 L339 F340 P345Y263-S342 WeakPolarHBondContact CE1-OG 3.47Å; G338-S342 PolarHBondContact O-N 2.95Å; G338-S342 VanDerWaalsContact O-N 3.13Å; L339-S342 WeakPolarHBondContact CA-OG 3.15Å; L339-S342 WeakPolarHBondContact O-CB 3.37Å; L339-S342 PolarHBondContact O-N 2.89Å; L339-S342 PolarHBondContact O-OG 3.14Å; F340-S342 VanDerWaalsContact C-N 3.34Å; F340-S342 PolarHBondContact O-N 2.99Å; S342-P345 WeakPolarHBondContact O-CD 3.41Å
343L97.9Very high95.3Very high0 Ų034.1 Ų34.10%022%0.219CC..THydrogen-bonded Turntrans-81.2-16.9173.8-65.6171.6000113.1I260 Y263 I264 V292 I296 L339 F340 A341 Q346 V347I260-L343 HydrophobicContact CG2-CD2 3.99Å; Y263-L343 HydrophobicContact CD1-CD2 3.45Å; Y263-L343 VanDerWaalsContact CD1-CD2 3.45Å; Y263-L343 HydrophobicContact CE1-CD2 4.08Å; Y263-L343 HydrophobicContact CG-CD2 4.37Å; I264-L343 HydrophobicContact CD1-CD1 4.11Å; I264-L343 HydrophobicContact CD1-CD2 4.33Å; I264-L343 HydrophobicContact CG1-CD1 4.02Å; I264-L343 HydrophobicContact CG1-CD2 3.61Å; I264-L343 HydrophobicContact CG1-CG 4.45Å; V292-L343 HydrophobicContact CG1-CD1 3.58Å; I296-L343 HydrophobicContact CB-CB 4.37Å; I296-L343 HydrophobicContact CG1-CB 3.8Å; I296-L343 HydrophobicContact CG2-CB 4.08Å; I296-L343 HydrophobicContact CG2-CD1 4.23Å; L339-L343 HydrophobicContact CD2-CD1 4.28Å; L339-L343 HydrophobicContact CD2-CG 4.42Å; L339-L343 PolarHBondContact O-N 3.29Å; F340-L343 HydrophobicContact CD2-CD1 4.36Å; F340-L343 WeakPolarHBondContact O-CB 3.07Å; F340-L343 PolarHBondContact O-N 3.39Å; A341-L343 PolarHBondContact O-N 2.96Å; L343-Q346 WeakPolarHBondContact O-CB 3.43Å; L343-Q346 PolarHBondContact O-N 3.46Å; L343-V347 PolarHBondContact O-N 3.02Å
344V97.9Very high95.3Very high0 Ų035.1 Ų35.10%023%0.225CC..Hα-helixtrans-52.8-46.7179.1170.80000112.4I296 T300 A341 Q346 V347 V348 P362 V365 M366 I369I296-V344 HydrophobicContact CD1-CG2 3.97Å; I296-V344 HydrophobicContact CG1-CG2 4.44Å; T300-V344 HydrophobicContact CG2-CG1 4.03Å; A341-V344 WeakPolarHBondContact O-CB 2.96Å; A341-V344 VanDerWaalsContact O-CG2 3.29Å; A341-V344 WeakPolarHBondContact O-CG2 3.49Å; A341-V344 PolarHBondContact O-N 3.45Å; V344-Q346 VanDerWaalsContact C-N 3.26Å; V344-Q346 PolarHBondContact O-N 3.47Å; V344-V347 WeakPolarHBondContact O-CB 3.41Å; V344-V347 PolarHBondContact O-N 3.18Å; V344-V347 VanDerWaalsContact O-N 3.09Å; V344-V348 HydrophobicContact CG1-CG2 4.27Å; V344-V348 WeakPolarHBondContact O-CG2 3.45Å; V344-V348 PolarHBondContact O-N 3.29Å; V344-P362 HydrophobicContact CG1-CB 4.07Å; V344-V365 HydrophobicContact CG1-CB 4.42Å; V344-V365 HydrophobicContact CG1-CG1 4.17Å; V344-V365 HydrophobicContact CG2-CG1 3.98Å; V344-M366 HydrophobicContact CB-CG 3.72Å; V344-M366 HydrophobicContact CB-SD 4.34Å; V344-M366 HydrophobicContact CG1-CG 4.09Å; V344-M366 HydrophobicContact CG2-CG 3.87Å; V344-I369 HydrophobicContact CG2-CD1 3.75Å
345P97.6Very high95.6Very high60 Ų6029.4 Ų29.439%0.3919%0.194SC..Hα-helixtrans-59.2-32176.3-25.836.2000114.4S342 V348 A349 M366S342-P345 WeakPolarHBondContact O-CD 3.41Å; P345-V348 PolarHBondContact O-N 3.24Å; P345-A349 WeakPolarHBondContact O-CB 3.43Å; P345-A349 PolarHBondContact O-N 3.2Å; P345-M366 HydrophobicContact CG-SD 4.11Å
346Q97.5Very high95.6Very high51 Ų5132.4 Ų32.424%0.23821%0.213CC..Hα-helixtrans-69-40176.1-56.2-56.3-44.200110.9I260 Y263 L343 V344 A349 I350I260-Q346 HydrophobicContact CG1-CB 4.23Å; Y263-Q346 HydrophobicContact CD1-CG 4.43Å; Y263-Q346 HydrophobicContact CD2-CG 4.23Å; Y263-Q346 HydrophobicContact CG-CG 3.98Å; L343-Q346 WeakPolarHBondContact O-CB 3.43Å; L343-Q346 PolarHBondContact O-N 3.46Å; V344-Q346 VanDerWaalsContact C-N 3.26Å; V344-Q346 PolarHBondContact O-N 3.47Å; Q346-A349 PolarHBondContact O-N 2.96Å; Q346-I350 WeakPolarHBondContact O-CD1 3.46Å; Q346-I350 VanDerWaalsContact O-CG1 3.32Å; Q346-I350 WeakPolarHBondContact O-CG1 3.3Å; Q346-I350 PolarHBondContact O-N 3.37Å
347V97.8Very high95.5Very high0 Ų030.4 Ų30.40%020%0.198CC..Hα-helixtrans-63.8-44.5174.5179.80000110.9I260 I296 R297 T300 L343 V344 A349 I350 L351I260-V347 HydrophobicContact CD1-CG2 4.17Å; I296-V347 HydrophobicContact CG1-CG2 4.29Å; I296-V347 HydrophobicContact CG2-CG2 3.91Å; R297-V347 HydrophobicContact CB-CG1 4.47Å; R297-V347 HydrophobicContact CG-CG1 4.16Å; R297-V347 HydrophobicContact CG-CG2 3.95Å; T300-V347 HydrophobicContact CG2-CB 4.2Å; T300-V347 HydrophobicContact CG2-CG1 3.88Å; L343-V347 PolarHBondContact O-N 3.02Å; V344-V347 WeakPolarHBondContact O-CB 3.41Å; V344-V347 PolarHBondContact O-N 3.18Å; V344-V347 VanDerWaalsContact O-N 3.09Å; V347-A349 VanDerWaalsContact C-N 3.29Å; V347-A349 PolarHBondContact O-N 2.95Å; V347-I350 PolarHBondContact O-N 2.84Å; V347-I350 VanDerWaalsContact O-N 3.15Å; V347-L351 HydrophobicContact CG1-CD1 3.89Å; V347-L351 HydrophobicContact CG1-CG 4.5Å; V347-L351 PolarHBondContact O-N 2.66Å
348V97.5Very high95.6Very high26 Ų2625.6 Ų25.616%0.15817%0.167CC..Hα-helixtrans-61.8-37.5176.8176.20000111.3T300 V344 P345 I350 G352 M358 A359 P362T300-V348 HydrophobicContact CG2-CG2 4.37Å; V344-V348 HydrophobicContact CG1-CG2 4.27Å; V344-V348 WeakPolarHBondContact O-CG2 3.45Å; V344-V348 PolarHBondContact O-N 3.29Å; P345-V348 PolarHBondContact O-N 3.24Å; V348-I350 VanDerWaalsContact C-N 3.32Å; V348-I350 PolarHBondContact O-N 2.87Å; V348-G352 WeakPolarHBondContact O-CA 3.46Å; V348-G352 PolarHBondContact O-N 2.98Å; V348-M358 HydrophobicContact CG2-CB 4.36Å; V348-A359 HydrophobicContact CG1-CB 4.09Å; V348-P362 HydrophobicContact CG2-CB 4.35Å
349A96.8Very high95.5Very high75 Ų7527.1 Ų27.162%0.6218%0.177SC*.Hα-helixtrans-64.9-33.9175.700000113.2P345 Q346 V347P345-A349 WeakPolarHBondContact O-CB 3.43Å; P345-A349 PolarHBondContact O-N 3.2Å; Q346-A349 PolarHBondContact O-N 2.96Å; V347-A349 VanDerWaalsContact C-N 3.29Å; V347-A349 PolarHBondContact O-N 2.95Å
350I96.3Very high95.2Very high36 Ų3635.2 Ų35.219%0.18521%0.212CC..Hα-helixtrans-81.8-40.7-178.7-64.8164.7000111.6L256 P259 I260 Q346 V347 V348L256-I350 HydrophobicContact CD2-CG2 3.94Å; L256-I350 WeakPolarHBondContact O-CD1 3.47Å; P259-I350 HydrophobicContact CB-CD1 4.24Å; P259-I350 HydrophobicContact CG-CD1 4.25Å; I260-I350 HydrophobicContact CD1-CD1 4.02Å; I260-I350 HydrophobicContact CG1-CD1 3.75Å; Q346-I350 WeakPolarHBondContact O-CD1 3.46Å; Q346-I350 VanDerWaalsContact O-CG1 3.32Å; Q346-I350 WeakPolarHBondContact O-CG1 3.3Å; Q346-I350 PolarHBondContact O-N 3.37Å; V347-I350 PolarHBondContact O-N 2.84Å; V347-I350 VanDerWaalsContact O-N 3.15Å; V348-I350 VanDerWaalsContact C-N 3.32Å; V348-I350 PolarHBondContact O-N 2.87Å
351L95.9Very high94.9Very high0 Ų039.1 Ų39.10%023%0.233CC..Hα-helixtrans-112.1-20.1-168.4-63.6-179.1000114.3F94 E96 V301 V347 T353 T354 F355 M358F94-L351 HydrophobicContact CE1-CD1 3.75Å; F94-L351 HydrophobicContact CZ-CD1 4.26Å; E96-L351 WeakPolarHBondContact OE1-CD2 3.49Å; V301-L351 HydrophobicContact CG2-CD1 4.35Å; V347-L351 HydrophobicContact CG1-CD1 3.89Å; V347-L351 HydrophobicContact CG1-CG 4.5Å; V347-L351 PolarHBondContact O-N 2.66Å; L351-T353 VanDerWaalsContact C-N 3.3Å; L351-T353 PolarHBondContact O-N 2.99Å; L351-T354 PolarHBondContact O-N 2.94Å; L351-F355 HydrophobicContact CB-CD2 4.21Å; L351-F355 PolarHBondContact O-N 3.46Å; L351-M358 HydrophobicContact CB-CE 3.28Å; L351-M358 HydrophobicContact CB-SD 4.46Å; L351-M358 HydrophobicContact CD1-CE 4.19Å; L351-M358 HydrophobicContact CG-CE 4.39Å
352G94.6Very high94.7Very high9 Ų940.9 Ų40.99%0.09325%0.245CC..THydrogen-bonded Turntrans-64.2-27.8-169.400000114.7V348 T354 F355 P356V348-G352 WeakPolarHBondContact O-CA 3.46Å; V348-G352 PolarHBondContact O-N 2.98Å; G352-T354 VanDerWaalsContact C-N 3.33Å; G352-F355 CarbonylContact O-C 3.51Å; G352-P356 WeakPolarHBondContact O-CA 3.48Å
353T93.5Very high94.6Very high110 Ų11045.3 Ų45.368%0.67527%0.266SS*.THydrogen-bonded Turntrans-65.9-38172.9-54.50000111.8L351L351-T353 VanDerWaalsContact C-N 3.3Å; L351-T353 PolarHBondContact O-N 2.99Å
354T94.1Very high94Very high21 Ų2147 Ų4713%0.12928%0.28CS..THydrogen-bonded Turntrans-81-36.4-179.2-59.30000111.4R7 H24 T69 L351 G352 P356R7-T354 PolarHBondContact NH1-OG1 3.07Å; H24-T354 PolarHBondContact CE1-O 3.26Å; T69-T354 HydrophobicContact CG2-CG2 3.48Å; T69-T354 VanDerWaalsContact CG2-CG2 3.48Å; L351-T354 PolarHBondContact O-N 2.94Å; G352-T354 VanDerWaalsContact C-N 3.33Å; T354-P356 WeakPolarHBondContact O-CD 3.3Å
355F95.9Very high93.7Very high1 Ų147.3 Ų47.30%0.00428%0.282CS..  trans-126.174.9-174.4-59.7-53.8000109.3T69 K71 E96 L351 G352 E357 M358T69-F355 HydrophobicContact CG2-CE1 3.97Å; T69-F355 HydrophobicContact CG2-CZ 3.81Å; K71-F355 HydrophobicContact CD-CB 4.41Å; K71-F355 HydrophobicContact CD-CD1 3.68Å; K71-F355 HydrophobicContact CD-CD2 4.2Å; K71-F355 HydrophobicContact CD-CE1 3.96Å; K71-F355 HydrophobicContact CD-CE2 4.44Å; K71-F355 HydrophobicContact CD-CG 3.83Å; K71-F355 HydrophobicContact CD-CZ 4.33Å; K71-F355 HydrophobicContact CG-CD1 3.77Å; K71-F355 HydrophobicContact CG-CD2 4.12Å; K71-F355 HydrophobicContact CG-CE1 3.49Å; K71-F355 VanDerWaalsContact CG-CE1 3.49Å; K71-F355 HydrophobicContact CG-CE2 3.85Å; K71-F355 HydrophobicContact CG-CG 4.09Å; K71-F355 HydrophobicContact CG-CZ 3.53Å; E96-F355 HydrophobicContact CG-CE2 3.89Å; E96-F355 HydrophobicContact CG-CZ 3.96Å; L351-F355 HydrophobicContact CB-CD2 4.21Å; L351-F355 PolarHBondContact O-N 3.46Å; G352-F355 CarbonylContact O-C 3.51Å; F355-E357 VanDerWaalsContact C-OE2 3.22Å; F355-E357 VanDerWaalsContact CB-OE1 3.3Å; F355-E357 WeakPolarHBondContact CB-OE1 3.24Å; F355-E357 PolarHBondContact O-N 3.45Å; F355-E357 VanDerWaalsContact O-N 3.11Å; F355-M358 HydrophobicContact CB-CE 3.43Å; F355-M358 VanDerWaalsContact CB-CE 3.43Å; F355-M358 HydrophobicContact CD2-CE 3.98Å; F355-M358 HydrophobicContact CG-CE 4.18Å; F355-M358 PolarHBondContact O-N 3.46Å; F355-M358 VanDerWaalsContact O-N 3.11Å
356P94.1Very high93.7Very high69 Ų6946.4 Ų46.445%0.44827%0.273SS..G310 helixtrans-62.1-20.5-170.625.6-35.6000114.1G352 T354 M358 A359G352-P356 WeakPolarHBondContact O-CA 3.48Å; T354-P356 WeakPolarHBondContact O-CD 3.3Å; P356-M358 PolarHBondContact O-N 2.7Å; P356-A359 PolarHBondContact O-N 2.96Å
357E89Confident93.5Very high25 Ų2546.6 Ų46.612%0.11728%0.284CS..G310 helixtrans-57.1-29173.161.2-80.1-174.600113.7H24 K71 F355 A359 K360H24-E357 IonicContact NE2-OE2 3.16Å; H24-E357 PolarHBondContact NE2-OE2 3.42Å; K71-E357 WeakPolarHBondContact CE-OE1 3.46Å; K71-E357 IonicContact NZ-OE1 3.26Å; K71-E357 PolarHBondContact NZ-OE1 2.76Å; F355-E357 VanDerWaalsContact C-OE2 3.22Å; F355-E357 VanDerWaalsContact CB-OE1 3.3Å; F355-E357 WeakPolarHBondContact CB-OE1 3.24Å; F355-E357 PolarHBondContact O-N 3.45Å; F355-E357 VanDerWaalsContact O-N 3.11Å; E357-A359 VanDerWaalsContact C-N 3.29Å; E357-A359 PolarHBondContact O-N 2.82Å; E357-K360 PolarHBondContact O-N 2.82Å
358M92.1Very high93Very high0 Ų047.8 Ų47.80%029%0.289CS..G310 helixtrans-71.6-23.3175.3-72.5-175.6-66.100113.4T300 V301 S304 V348 L351 F355 P356 K360T300-M358 HydrophobicContact CG2-CG 4.37Å; T300-M358 HydrophobicContact CG2-SD 3.94Å; V301-M358 HydrophobicContact CB-SD 4.37Å; V301-M358 HydrophobicContact CG2-CE 4.41Å; V301-M358 HydrophobicContact CG2-SD 3.52Å; V301-M358 VanDerWaalsContact CG2-SD 3.52Å; S304-M358 WeakPolarHBondContact OG-CA 3.46Å; V348-M358 HydrophobicContact CG2-CB 4.36Å; L351-M358 HydrophobicContact CB-CE 3.28Å; L351-M358 HydrophobicContact CB-SD 4.46Å; L351-M358 HydrophobicContact CD1-CE 4.19Å; L351-M358 HydrophobicContact CG-CE 4.39Å; F355-M358 HydrophobicContact CB-CE 3.43Å; F355-M358 VanDerWaalsContact CB-CE 3.43Å; F355-M358 HydrophobicContact CD2-CE 3.98Å; F355-M358 HydrophobicContact CG-CE 4.18Å; F355-M358 PolarHBondContact O-N 3.46Å; F355-M358 VanDerWaalsContact O-N 3.11Å; P356-M358 PolarHBondContact O-N 2.7Å; M358-K360 VanDerWaalsContact C-N 3.33Å
359A92.5Very high92.9Very high55 Ų5546.5 Ų46.546%0.45528%0.282SS..G310 helixtrans-85.6-4.8179.100000113.3V348 P356 E357V348-A359 HydrophobicContact CG1-CB 4.09Å; P356-A359 PolarHBondContact O-N 2.96Å; E357-A359 VanDerWaalsContact C-N 3.29Å; E357-A359 PolarHBondContact O-N 2.82Å
360K88.6Confident92.8Very high175 Ų17545.3 Ų45.376%0.76127%0.265SS*.SBendtrans-65.5-46.8-176.9-72.6178.7179.4172.80113.1E357 M358E357-K360 PolarHBondContact O-N 2.82Å; M358-K360 VanDerWaalsContact C-N 3.33Å
361D89.3Confident92.3Very high84 Ų8447.7 Ų47.745%0.44928%0.275SS..  trans-154.570.8-177.1-166.9-9.6000111.5D363 A364 V365D361-D363 PolarHBondContact O-N 2.8Å; D361-A364 HydrophobicContact CB-CB 4.23Å; D361-A364 PolarHBondContact O-N 2.71Å; D361-A364 WeakPolarHBondContact OD1-CB 3.49Å; D361-A364 PolarHBondContact OD1-N 2.85Å; D361-A364 VanDerWaalsContact OD2-CB 3.25Å; D361-A364 WeakPolarHBondContact OD2-CB 3.34Å; D361-V365 PolarHBondContact O-N 2.95Å
362P93.4Very high91.9Very high37 Ų3747.7 Ų47.724%0.2428%0.275CS..Hα-helixtrans-64.4-28.1177.226.3-34.1000112.5V344 V348 V365 M366V344-P362 HydrophobicContact CG1-CB 4.07Å; V348-P362 HydrophobicContact CG2-CB 4.35Å; P362-V365 WeakPolarHBondContact O-CB 3.44Å; P362-V365 PolarHBondContact O-N 2.86Å; P362-M366 VanDerWaalsContact O-CG 3.29Å; P362-M366 WeakPolarHBondContact O-CG 3.44Å; P362-M366 PolarHBondContact O-N 3.08Å
363D93.5Very high91.8Very high118 Ų11847.5 Ų47.563%0.63127%0.272SS*.Hα-helixtrans-66.7-40.3179.3-71.4-26.1000111.3D361 V365 M366 A367D361-D363 PolarHBondContact O-N 2.8Å; D363-V365 PolarHBondContact O-N 2.95Å; D363-M366 PolarHBondContact O-N 2.89Å; D363-A367 WeakPolarHBondContact O-CB 3.44Å; D363-A367 PolarHBondContact O-N 3.03Å
364A85.7Confident91.5Very high35 Ų3547.4 Ų47.429%0.28927%0.265SS..Hα-helixtrans-63.3-39.7172.800000112.5D361 A367 I368D361-A364 HydrophobicContact CB-CB 4.23Å; D361-A364 PolarHBondContact O-N 2.71Å; D361-A364 WeakPolarHBondContact OD1-CB 3.49Å; D361-A364 PolarHBondContact OD1-N 2.85Å; D361-A364 VanDerWaalsContact OD2-CB 3.25Å; D361-A364 WeakPolarHBondContact OD2-CB 3.34Å; A364-A367 PolarHBondContact O-N 2.81Å; A364-I368 WeakPolarHBondContact O-CD1 3.45Å; A364-I368 VanDerWaalsContact O-CG1 3.29Å; A364-I368 WeakPolarHBondContact O-CG1 3.41Å; A364-I368 PolarHBondContact O-N 3Å
365V92.3Very high90.8Very high6 Ų650.3 Ų50.34%0.03628%0.277CS..Hα-helixtrans-61-47.5174.51750000110.2L303 V344 D361 P362 D363 A367 I368 I369L303-V365 HydrophobicContact CB-CG1 4.01Å; L303-V365 HydrophobicContact CB-CG2 4.13Å; L303-V365 HydrophobicContact CD1-CG1 3.91Å; V344-V365 HydrophobicContact CG1-CB 4.42Å; V344-V365 HydrophobicContact CG1-CG1 4.17Å; V344-V365 HydrophobicContact CG2-CG1 3.98Å; D361-V365 PolarHBondContact O-N 2.95Å; P362-V365 WeakPolarHBondContact O-CB 3.44Å; P362-V365 PolarHBondContact O-N 2.86Å; D363-V365 PolarHBondContact O-N 2.95Å; V365-A367 PolarHBondContact O-N 3.04Å; V365-I368 PolarHBondContact O-N 3.31Å; V365-I369 HydrophobicContact CG1-CD1 3.99Å; V365-I369 WeakPolarHBondContact O-CG1 3.22Å; V365-I369 PolarHBondContact O-N 3.21Å; V365-I369 VanDerWaalsContact O-N 3.08Å
366M97.3Very high90.3Very high41 Ų4150.2 Ų50.220%0.20228%0.277CS..Hα-helixtrans-60.8-41.8176.6-70.7175.557.700112.2A341 V344 P345 P362 D363 I369 N370A341-M366 HydrophobicContact CB-CB 4.22Å; A341-M366 HydrophobicContact CB-CG 4.4Å; A341-M366 WeakPolarHBondContact O-CG 3.49Å; V344-M366 HydrophobicContact CB-CG 3.72Å; V344-M366 HydrophobicContact CB-SD 4.34Å; V344-M366 HydrophobicContact CG1-CG 4.09Å; V344-M366 HydrophobicContact CG2-CG 3.87Å; P345-M366 HydrophobicContact CG-SD 4.11Å; P362-M366 VanDerWaalsContact O-CG 3.29Å; P362-M366 WeakPolarHBondContact O-CG 3.44Å; P362-M366 PolarHBondContact O-N 3.08Å; D363-M366 PolarHBondContact O-N 2.89Å; M366-I369 PolarHBondContact O-N 2.99Å; M366-N370 VanDerWaalsContact O-CB 3.32Å; M366-N370 WeakPolarHBondContact O-CB 3.45Å; M366-N370 VanDerWaalsContact O-CG 3.31Å; M366-N370 PolarHBondContact O-N 3.39Å; M366-N370 PolarHBondContact O-ND2 2.63Å; M366-N370 VanDerWaalsContact O-ND2 3.13Å
367A92.5Very high89.8Confident56 Ų5648.8 Ų48.846%0.46327%0.265SS..Hα-helixtrans-61.7-44.2177.800000112D363 A364 V365 N370 E371D363-A367 WeakPolarHBondContact O-CB 3.44Å; D363-A367 PolarHBondContact O-N 3.03Å; A364-A367 PolarHBondContact O-N 2.81Å; V365-A367 PolarHBondContact O-N 3.04Å; A367-N370 PolarHBondContact O-N 3.23Å; A367-E371 WeakPolarHBondContact O-CB 3.32Å; A367-E371 PolarHBondContact O-N 2.64Å
368I87.3Confident89.2Confident24 Ų2454.4 Ų54.412%0.12329%0.289CS..Hα-helixtrans-60.4-47.8176.4-67.6160.3000110.6L303 R308 P309 A364 V365 E371 E372 R748L303-I368 HydrophobicContact CD1-CB 4.47Å; L303-I368 HydrophobicContact CD1-CG2 4.12Å; L303-I368 HydrophobicContact CD2-CG2 4.18Å; R308-I368 VanDerWaalsContact CZ-CD1 3.5Å; P309-I368 HydrophobicContact CG-CG2 4.13Å; A364-I368 WeakPolarHBondContact O-CD1 3.45Å; A364-I368 VanDerWaalsContact O-CG1 3.29Å; A364-I368 WeakPolarHBondContact O-CG1 3.41Å; A364-I368 PolarHBondContact O-N 3Å; V365-I368 PolarHBondContact O-N 3.31Å; I368-E371 PolarHBondContact O-N 3.11Å; I368-E372 PolarHBondContact O-N 2.82Å; I368-R748 PolarHBondContact O-NH2 3.41Å; I368-R748 VanDerWaalsContact O-NH2 3.12Å
369I95.4Very high88.2Confident0 Ų055.8 Ų55.80%030%0.298CS..Hα-helixtrans-62-51.1179.9-66.2170.9000110.6I296 L303 L322 F340 A341 V344 V365 M366 E371 E372 E373I296-I369 HydrophobicContact CD1-CD1 3.71Å; L303-I369 HydrophobicContact CD1-CD1 4.06Å; L303-I369 HydrophobicContact CD1-CG1 3.66Å; L322-I369 HydrophobicContact CD1-CB 4.42Å; L322-I369 HydrophobicContact CD1-CG1 4.29Å; L322-I369 HydrophobicContact CD1-CG2 4.29Å; F340-I369 HydrophobicContact CD1-CG2 3.69Å; F340-I369 HydrophobicContact CE1-CG2 4.32Å; A341-I369 HydrophobicContact CB-CB 4.07Å; A341-I369 HydrophobicContact CB-CG2 3.86Å; V344-I369 HydrophobicContact CG2-CD1 3.75Å; V365-I369 HydrophobicContact CG1-CD1 3.99Å; V365-I369 WeakPolarHBondContact O-CG1 3.22Å; V365-I369 PolarHBondContact O-N 3.21Å; V365-I369 VanDerWaalsContact O-N 3.08Å; M366-I369 PolarHBondContact O-N 2.99Å; I369-E371 VanDerWaalsContact C-N 3.3Å; I369-E371 PolarHBondContact O-N 2.8Å; I369-E372 PolarHBondContact O-N 3.25Å; I369-E373 VanDerWaalsContact O-CB 3.3Å; I369-E373 WeakPolarHBondContact O-CB 3.37Å; I369-E373 PolarHBondContact O-N 2.98Å
370N94.8Very high87.5Confident49 Ų4954.1 Ų54.126%0.26228%0.281SS..Hα-helixtrans-57.4-41.9179.6-80.4-38000112.1G338 A341 M366 A367 E373 M374G338-N370 WeakPolarHBondContact CA-OD1 3.19Å; A341-N370 WeakPolarHBondContact CB-OD1 3.17Å; M366-N370 VanDerWaalsContact O-CB 3.32Å; M366-N370 WeakPolarHBondContact O-CB 3.45Å; M366-N370 VanDerWaalsContact O-CG 3.31Å; M366-N370 PolarHBondContact O-N 3.39Å; M366-N370 PolarHBondContact O-ND2 2.63Å; M366-N370 VanDerWaalsContact O-ND2 3.13Å; A367-N370 PolarHBondContact O-N 3.23Å; N370-E373 PolarHBondContact O-N 2.74Å; N370-M374 WeakPolarHBondContact O-CB 3.47Å; N370-M374 VanDerWaalsContact O-CG 3.31Å; N370-M374 WeakPolarHBondContact O-CG 3.18Å; N370-M374 PolarHBondContact O-N 2.78Å
371E87.6Confident86.8Confident86 Ų8649 Ų4940%0.40227%0.267SS..Hα-helixtrans-72.8-37.7-179.8175.5-160.7174.600112.2A367 I368 I369 M374 Q375 R748A367-E371 WeakPolarHBondContact O-CB 3.32Å; A367-E371 PolarHBondContact O-N 2.64Å; I368-E371 PolarHBondContact O-N 3.11Å; I369-E371 VanDerWaalsContact C-N 3.3Å; I369-E371 PolarHBondContact O-N 2.8Å; E371-M374 HydrophobicContact CB-CE 4.23Å; E371-Q375 VanDerWaalsContact O-CG 3.31Å; E371-Q375 WeakPolarHBondContact O-CG 3.31Å; E371-Q375 PolarHBondContact O-N 3.07Å; E371-R748 VanDerWaalsContact CG-CZ 3.41Å; E371-R748 IonicContact OE1-CZ 2.73Å; E371-R748 IonicContact OE1-NE 3.25Å; E371-R748 PolarHBondContact OE1-NE 3.25Å; E371-R748 VanDerWaalsContact OE1-NE 3.16Å; E371-R748 IonicContact OE1-NH2 3.15Å; E371-R748 IonicContact OE2-CZ 2.64Å; E371-R748 IonicContact OE2-NE 3.5Å; E371-R748 PolarHBondContact OE2-NE 3.1Å; E371-R748 IonicContact OE2-NH2 3.22Å; E371-R748 PolarHBondContact OE2-NH2 2.99Å
372E86.4Confident85.8Confident0 Ų053.7 Ų53.70%028%0.279CS..Hα-helixtrans-66.4-38.1169.1-80.9-62.6134.200112.1P309 R319 L322 I368 I369 Q375 F376 R748P309-E372 HydrophobicContact CB-CG 3.68Å; P309-E372 HydrophobicContact CG-CG 3.8Å; R319-E372 IonicContact CZ-OE1 2.61Å; R319-E372 IonicContact CZ-OE2 3.41Å; R319-E372 IonicContact NE-OE1 2.67Å; R319-E372 IonicContact NE-OE2 2.76Å; R319-E372 PolarHBondContact NE-OE2 3.02Å; R319-E372 IonicContact NH2-OE1 3.79Å; R319-E372 PolarHBondContact NH2-OE1 3.41Å; R319-E372 IonicContact NH2-OE2 3.61Å; L322-E372 HydrophobicContact CD1-CB 3.61Å; L322-E372 HydrophobicContact CD1-CG 4.09Å; L322-E372 HydrophobicContact CD2-CB 3.83Å; L322-E372 HydrophobicContact CG-CB 4.4Å; I368-E372 PolarHBondContact O-N 2.82Å; I369-E372 PolarHBondContact O-N 3.25Å; E372-Q375 PolarHBondContact O-N 3.28Å; E372-F376 VanDerWaalsContact O-CB 3.29Å; E372-F376 WeakPolarHBondContact O-CB 3.37Å; E372-F376 PolarHBondContact O-N 2.89Å; E372-R748 VanDerWaalsContact N-NH1 3.19Å; E372-R748 IonicContact OE1-CZ 3.43Å; E372-R748 IonicContact OE1-NH1 2.73Å; E372-R748 PolarHBondContact OE1-NH1 3.07Å
373E92Very high84.8Confident5 Ų551.9 Ų51.92%0.02327%0.267CS..Hα-helixtrans-60.1-50175.9176.5177.8-175.800110.7V326 P337 G338 I369 N370 Q375 F376 L377V326-E373 HydrophobicContact CG1-CG 3.9Å; V326-E373 HydrophobicContact CG2-CB 4.09Å; V326-E373 HydrophobicContact CG2-CG 3.94Å; P337-E373 WeakPolarHBondContact CA-OE1 3.42Å; G338-E373 WeakPolarHBondContact CA-OE2 3.37Å; G338-E373 PolarHBondContact N-OE1 3.05Å; G338-E373 PolarHBondContact N-OE2 3.5Å; I369-E373 VanDerWaalsContact O-CB 3.3Å; I369-E373 WeakPolarHBondContact O-CB 3.37Å; I369-E373 PolarHBondContact O-N 2.98Å; N370-E373 PolarHBondContact O-N 2.74Å; E373-Q375 VanDerWaalsContact C-N 3.29Å; E373-Q375 PolarHBondContact O-N 3.47Å; E373-F376 PolarHBondContact O-N 2.81Å; E373-F376 VanDerWaalsContact O-N 3.15Å; E373-L377 HydrophobicContact CG-CD1 3.86Å; E373-L377 HydrophobicContact CG-CG 4.19Å; E373-L377 WeakPolarHBondContact O-CB 3.44Å; E373-L377 VanDerWaalsContact O-CG 3.32Å; E373-L377 WeakPolarHBondContact O-CG 3.35Å; E373-L377 PolarHBondContact O-N 2.9Å
374M88.3Confident83.9Confident108 Ų10847 Ų4753%0.53224%0.244SC..Hα-helixtrans-59.2-39.4177.5-76.5-171.4-69.200112.7N370 E371 K378N370-M374 WeakPolarHBondContact O-CB 3.47Å; N370-M374 VanDerWaalsContact O-CG 3.31Å; N370-M374 WeakPolarHBondContact O-CG 3.18Å; N370-M374 PolarHBondContact O-N 2.78Å; E371-M374 HydrophobicContact CB-CE 4.23Å; M374-K378 WeakPolarHBondContact O-CG 3.23Å; M374-K378 PolarHBondContact O-N 2.97Å
375Q78.2Confident83.5Confident82 Ų8251.8 Ų51.838%0.38326%0.259SS..Hα-helixtrans-68.2-44.8175.5-70.7177.61500110.9E371 E372 E373 K378 T379E371-Q375 VanDerWaalsContact O-CG 3.31Å; E371-Q375 WeakPolarHBondContact O-CG 3.31Å; E371-Q375 PolarHBondContact O-N 3.07Å; E372-Q375 PolarHBondContact O-N 3.28Å; E373-Q375 VanDerWaalsContact C-N 3.29Å; E373-Q375 PolarHBondContact O-N 3.47Å; Q375-K378 WeakPolarHBondContact O-CB 3.44Å; Q375-K378 PolarHBondContact O-N 3.06Å; Q375-T379 PolarHBondContact O-N 2.84Å; Q375-T379 VanDerWaalsContact O-N 3.13Å
376F85.4Confident82.6Confident0 Ų053.6 Ų53.60%027%0.268CS..Hα-helixtrans-66.5-42.2-179.6177.8-121.3000112.6R323 V326 R327 E372 E373 K378 T379 L380 L418R323-F376 HydrophobicContact CB-CD1 4.03Å; R323-F376 HydrophobicContact CB-CD2 4Å; R323-F376 HydrophobicContact CB-CE1 3.88Å; R323-F376 HydrophobicContact CB-CE2 3.85Å; R323-F376 HydrophobicContact CB-CG 4.09Å; R323-F376 HydrophobicContact CB-CZ 3.8Å; R323-F376 HydrophobicContact CG-CB 4.06Å; R323-F376 HydrophobicContact CG-CD1 3.94Å; R323-F376 HydrophobicContact CG-CD2 3.51Å; R323-F376 HydrophobicContact CG-CE1 4.27Å; R323-F376 HydrophobicContact CG-CE2 3.89Å; R323-F376 HydrophobicContact CG-CG 3.55Å; R323-F376 HydrophobicContact CG-CZ 4.25Å; R323-F376 VanDerWaalsContact O-CE1 3.23Å; R323-F376 WeakPolarHBondContact O-CE1 3.38Å; V326-F376 HydrophobicContact CB-CD1 4.11Å; V326-F376 HydrophobicContact CB-CE1 4.36Å; V326-F376 HydrophobicContact CG1-CD1 3.84Å; V326-F376 HydrophobicContact CG1-CE1 4.22Å; R327-F376 HydrophobicContact CB-CE1 4.37Å; E372-F376 VanDerWaalsContact O-CB 3.29Å; E372-F376 WeakPolarHBondContact O-CB 3.37Å; E372-F376 PolarHBondContact O-N 2.89Å; E373-F376 PolarHBondContact O-N 2.81Å; E373-F376 VanDerWaalsContact O-N 3.15Å; F376-K378 VanDerWaalsContact C-N 3.26Å; F376-K378 PolarHBondContact O-N 2.97Å; F376-T379 HydrophobicContact CD2-CG2 4.47Å; F376-T379 CarbonylContact O-C 3.56Å; F376-T379 WeakPolarHBondContact O-CA 3.17Å; F376-T379 WeakPolarHBondContact O-CB 3.37Å; F376-T379 PolarHBondContact O-N 2.77Å; F376-L380 HydrophobicContact CE1-CB 4.47Å; F376-L380 HydrophobicContact CE1-CD2 4.11Å; F376-L380 HydrophobicContact CE2-CB 4.38Å; F376-L380 HydrophobicContact CZ-CB 4.24Å; F376-L380 HydrophobicContact CZ-CD1 4.17Å; F376-L380 HydrophobicContact CZ-CD2 4.34Å; F376-L380 HydrophobicContact CZ-CG 4.48Å; F376-L380 WeakPolarHBondContact O-CB 3.12Å; F376-L380 PolarHBondContact O-N 3.16Å; F376-L418 HydrophobicContact CE2-CD1 3.86Å; F376-L418 HydrophobicContact CZ-CD1 3.5Å; F376-L418 VanDerWaalsContact CZ-CD1 3.5Å
377L84.3Confident81.9Confident39 Ų3951.7 Ų51.720%0.20426%0.259CS..Hα-helixtrans-60.1-36.7177.3-70.8174.4000111.7V326 T330 P337 E373 L380 S381V326-L377 HydrophobicContact CG1-CD2 4.01Å; V326-L377 HydrophobicContact CG1-CG 4.37Å; T330-L377 HydrophobicContact CG2-CD2 4.5Å; P337-L377 HydrophobicContact CB-CD1 3.92Å; P337-L377 HydrophobicContact CG-CD1 3.91Å; E373-L377 HydrophobicContact CG-CD1 3.86Å; E373-L377 HydrophobicContact CG-CG 4.19Å; E373-L377 WeakPolarHBondContact O-CB 3.44Å; E373-L377 VanDerWaalsContact O-CG 3.32Å; E373-L377 WeakPolarHBondContact O-CG 3.35Å; E373-L377 PolarHBondContact O-N 2.9Å; L377-L380 HydrophobicContact CD2-CD2 4.35Å; L377-S381 PolarHBondContact O-N 2.71Å; L377-S381 VanDerWaalsContact O-N 3.11Å
378K76.4Confident81.4Confident143 Ų14351.6 Ų51.662%0.62225%0.25SS*.Hα-helixtrans-62.9-44.3171.6-70.2172.1-176.1173.80111.2M374 Q375 F376 S381M374-K378 WeakPolarHBondContact O-CG 3.23Å; M374-K378 PolarHBondContact O-N 2.97Å; Q375-K378 WeakPolarHBondContact O-CB 3.44Å; Q375-K378 PolarHBondContact O-N 3.06Å; F376-K378 VanDerWaalsContact C-N 3.26Å; F376-K378 PolarHBondContact O-N 2.97Å; K378-S381 PolarHBondContact O-OG 3.16Å
379T71.8Confident81.2Confident29 Ų2958 Ų5818%0.17827%0.273CS..Hα-helixtrans-64.4-47.1175.2-76.90000112.5Q375 F376 S381 R382 G383 Y412 F414Q375-T379 PolarHBondContact O-N 2.84Å; Q375-T379 VanDerWaalsContact O-N 3.13Å; F376-T379 HydrophobicContact CD2-CG2 4.47Å; F376-T379 CarbonylContact O-C 3.56Å; F376-T379 WeakPolarHBondContact O-CA 3.17Å; F376-T379 WeakPolarHBondContact O-CB 3.37Å; F376-T379 PolarHBondContact O-N 2.77Å; T379-S381 VanDerWaalsContact C-N 3.33Å; T379-S381 PolarHBondContact O-N 2.97Å; T379-R382 PolarHBondContact O-N 3.36Å; T379-R382 VanDerWaalsContact O-N 3.08Å; T379-G383 PolarHBondContact O-N 3.02Å; T379-Y412 WeakPolarHBondContact CG2-O 3.32Å; T379-Y412 PolarHBondContact OG1-O 3.08Å; T379-F414 HydrophobicContact CG2-CB 4.45Å; T379-F414 HydrophobicContact CG2-CD2 4.27Å
380L77.1Confident80.5Confident19 Ų1958.4 Ų58.410%0.09928%0.276CS..Hα-helixtrans-58-44.1-179.1-178.460.8000110.8F376 L377 R382 G384 F414F376-L380 HydrophobicContact CE1-CB 4.47Å; F376-L380 HydrophobicContact CE1-CD2 4.11Å; F376-L380 HydrophobicContact CE2-CB 4.38Å; F376-L380 HydrophobicContact CZ-CB 4.24Å; F376-L380 HydrophobicContact CZ-CD1 4.17Å; F376-L380 HydrophobicContact CZ-CD2 4.34Å; F376-L380 HydrophobicContact CZ-CG 4.48Å; F376-L380 WeakPolarHBondContact O-CB 3.12Å; F376-L380 PolarHBondContact O-N 3.16Å; L377-L380 HydrophobicContact CD2-CD2 4.35Å; L380-R382 VanDerWaalsContact C-N 3.28Å; L380-R382 PolarHBondContact O-N 3.23Å; L380-G384 WeakPolarHBondContact O-CA 3.29Å; L380-G384 PolarHBondContact O-N 3.49Å; L380-F414 HydrophobicContact CD1-CE2 3.58Å; L380-F414 HydrophobicContact CD1-CZ 4.09Å
381S72.9Confident80Confident67 Ų6756.6 Ų56.647%0.46927%0.266SS..Hα-helixtrans-63-30.8177.375.10000114.2L377 K378 T379L377-S381 PolarHBondContact O-N 2.71Å; L377-S381 VanDerWaalsContact O-N 3.11Å; K378-S381 PolarHBondContact O-OG 3.16Å; T379-S381 VanDerWaalsContact C-N 3.33Å; T379-S381 PolarHBondContact O-N 2.97Å
382R69.4Low79.8Confident183 Ų18358.5 Ų58.569%0.69128%0.279SS*.Hα-helixtrans-89.5-47.9-178.6-68.7179.4179.4-177.1-0111.7T379 L380T379-R382 PolarHBondContact O-N 3.36Å; T379-R382 VanDerWaalsContact O-N 3.08Å; L380-R382 VanDerWaalsContact C-N 3.28Å; L380-R382 PolarHBondContact O-N 3.23Å
383G71.9Confident79.6Confident0 Ų067.1 Ų67.10%032%0.317CS..Hα-helixtrans-69.1-40.117900000112.4T379 K385 L386 L387T379-G383 PolarHBondContact O-N 3.02Å; G383-K385 VanDerWaalsContact C-N 3.34Å; G383-K385 PolarHBondContact O-N 3Å; G383-L386 WeakPolarHBondContact O-CB 3.35Å; G383-L386 PolarHBondContact O-N 3.13Å; G383-L387 WeakPolarHBondContact O-CB 3.45Å; G383-L387 PolarHBondContact O-N 3.22Å
384G74.4Confident79Confident15 Ų1568.4 Ų68.416%0.15533%0.325CS..Hα-helixtrans-56-44.6177.600000112.6L380 L386 L387 D388L380-G384 WeakPolarHBondContact O-CA 3.29Å; L380-G384 PolarHBondContact O-N 3.49Å; G384-L386 VanDerWaalsContact C-N 3.3Å; G384-L386 PolarHBondContact O-N 2.65Å; G384-L387 PolarHBondContact O-N 2.83Å; G384-D388 WeakPolarHBondContact O-CB 3.42Å; G384-D388 VanDerWaalsContact O-CG 3.25Å; G384-D388 PolarHBondContact O-N 3.07Å
385K77.6Confident78.4Confident136 Ų13667.2 Ų67.259%0.59133%0.327SS*.Hα-helixtrans-63.3-32.9175.6-68.4179.5-177.4178.60113.6G383 R389G383-K385 VanDerWaalsContact C-N 3.34Å; G383-K385 PolarHBondContact O-N 3Å; K385-R389 WeakPolarHBondContact O-CD 3.37Å; K385-R389 VanDerWaalsContact O-CG 3.22Å; K385-R389 WeakPolarHBondContact O-CG 3.22Å; K385-R389 PolarHBondContact O-N 2.93Å
386L74Confident78.2Confident44 Ų4469.4 Ų69.423%0.2335%0.349CS..Hα-helixtrans-74.8-41176.7-179.764.8000110.5G383 G384 R389 A390 L408 Y412G383-L386 WeakPolarHBondContact O-CB 3.35Å; G383-L386 PolarHBondContact O-N 3.13Å; G384-L386 VanDerWaalsContact C-N 3.3Å; G384-L386 PolarHBondContact O-N 2.65Å; L386-R389 PolarHBondContact O-N 2.95Å; L386-A390 PolarHBondContact O-N 3.16Å; L386-L408 HydrophobicContact CB-CD2 4.13Å; L386-L408 HydrophobicContact CD2-CD2 3.9Å; L386-L408 HydrophobicContact CD2-CG 4.27Å; L386-L408 HydrophobicContact CG-CD2 4.21Å; L386-Y412 HydrophobicContact CD2-CD2 3.8Å; L386-Y412 HydrophobicContact CD2-CE2 3.29Å
387L82.3Confident77.7Confident1 Ų172.5 Ų72.51%0.00538%0.38CS..Hα-helixtrans-63.8-46175.9-179.955.9000111.6G383 G384 R389 A390 I391 I400 L408 F414 T419 I422G383-L387 WeakPolarHBondContact O-CB 3.45Å; G383-L387 PolarHBondContact O-N 3.22Å; G384-L387 PolarHBondContact O-N 2.83Å; L387-R389 VanDerWaalsContact C-N 3.32Å; L387-R389 PolarHBondContact O-N 3Å; L387-A390 WeakPolarHBondContact O-CA 3.4Å; L387-A390 WeakPolarHBondContact O-CB 3.15Å; L387-A390 PolarHBondContact O-N 3.49Å; L387-I391 HydrophobicContact CD1-CD1 3.92Å; L387-I391 HydrophobicContact CD1-CG1 4.13Å; L387-I391 HydrophobicContact CG-CD1 3.88Å; L387-I391 HydrophobicContact CG-CG1 4.5Å; L387-I391 WeakPolarHBondContact O-CG1 3.5Å; L387-I391 PolarHBondContact O-N 2.65Å; L387-I400 HydrophobicContact CD1-CD1 3.57Å; L387-L408 HydrophobicContact CB-CD1 4.13Å; L387-L408 HydrophobicContact CB-CD2 4.46Å; L387-L408 HydrophobicContact CD1-CD1 3.92Å; L387-F414 HydrophobicContact CD2-CE1 3.82Å; L387-F414 HydrophobicContact CD2-CZ 4.13Å; L387-T419 HydrophobicContact CD1-CG2 3.76Å; L387-I422 HydrophobicContact CD2-CB 3.85Å; L387-I422 HydrophobicContact CD2-CD1 3.56Å; L387-I422 HydrophobicContact CD2-CG1 4.29Å; L387-I422 HydrophobicContact CD2-CG2 3.68Å; L387-I422 HydrophobicContact CG-CG2 4.28Å
388D82.7Confident77.8Confident54 Ų5471.2 Ų71.229%0.28938%0.377SS..Hα-helixtrans-54-49.3173.9-74.7-38.2000110.8G384 A390 I391 D392 R426G384-D388 WeakPolarHBondContact O-CB 3.42Å; G384-D388 VanDerWaalsContact O-CG 3.25Å; G384-D388 PolarHBondContact O-N 3.07Å; D388-A390 VanDerWaalsContact C-N 3.26Å; D388-A390 PolarHBondContact O-N 3Å; D388-I391 PolarHBondContact O-N 2.97Å; D388-D392 WeakPolarHBondContact O-CB 3.44Å; D388-D392 PolarHBondContact O-N 3.42Å; D388-R426 IonicContact OD1-CZ 3.18Å; D388-R426 IonicContact OD1-NH1 3.55Å; D388-R426 PolarHBondContact OD1-NH1 2.88Å; D388-R426 IonicContact OD1-NH2 2.87Å; D388-R426 PolarHBondContact OD1-NH2 3.3Å
389R82.6Confident78.3Confident159 Ų15968.6 Ų68.660%0.637%0.366SS*.Hα-helixtrans-64.5-28.6176.6-70.6171.7-169.6171.32.3113.7K385 L386 L387 K393K385-R389 WeakPolarHBondContact O-CD 3.37Å; K385-R389 VanDerWaalsContact O-CG 3.22Å; K385-R389 WeakPolarHBondContact O-CG 3.22Å; K385-R389 PolarHBondContact O-N 2.93Å; L386-R389 PolarHBondContact O-N 2.95Å; L387-R389 VanDerWaalsContact C-N 3.32Å; L387-R389 PolarHBondContact O-N 3Å; R389-K393 WeakPolarHBondContact O-CD 3.36Å; R389-K393 VanDerWaalsContact O-CG 3.3Å; R389-K393 WeakPolarHBondContact O-CG 3.32Å
390A81Confident78.9Confident7 Ų767.2 Ų67.26%0.05836%0.358CS..Hα-helixtrans-73.5-44.9175.900000109.8L386 L387 D388 K393 V394 I400 I404L386-A390 PolarHBondContact O-N 3.16Å; L387-A390 WeakPolarHBondContact O-CA 3.4Å; L387-A390 WeakPolarHBondContact O-CB 3.15Å; L387-A390 PolarHBondContact O-N 3.49Å; D388-A390 VanDerWaalsContact C-N 3.26Å; D388-A390 PolarHBondContact O-N 3Å; A390-K393 PolarHBondContact O-N 2.85Å; A390-V394 WeakPolarHBondContact O-CG2 3.31Å; A390-I400 HydrophobicContact CB-CG2 4.32Å; A390-I404 HydrophobicContact CB-CD1 4.42Å; A390-I404 HydrophobicContact CB-CG2 3.92Å
391I83.4Confident79.3Confident12 Ų1270.5 Ų70.56%0.06237%0.373CS..Hα-helixtrans-64.6-42.7177-65.9168.6000111.1L387 D388 K393 V394 I400 I422 R426L387-I391 HydrophobicContact CD1-CD1 3.92Å; L387-I391 HydrophobicContact CD1-CG1 4.13Å; L387-I391 HydrophobicContact CG-CD1 3.88Å; L387-I391 HydrophobicContact CG-CG1 4.5Å; L387-I391 WeakPolarHBondContact O-CG1 3.5Å; L387-I391 PolarHBondContact O-N 2.65Å; D388-I391 PolarHBondContact O-N 2.97Å; I391-K393 PolarHBondContact O-N 2.91Å; I391-V394 PolarHBondContact O-N 2.93Å; I391-I400 HydrophobicContact CD1-CD1 4.36Å; I391-I400 HydrophobicContact CG1-CD1 3.73Å; I391-I400 HydrophobicContact CG1-CG1 4.37Å; I391-I422 HydrophobicContact CD1-CG2 3.86Å; I391-R426 HydrophobicContact CG2-CB 4.19Å
392D84.4Confident79.8Confident126 Ų12667.3 Ų67.367%0.67435%0.35SS*.THydrogen-bonded Turntrans-60.5-19.3178.4-69.6-17.7000113.2D388D388-D392 WeakPolarHBondContact O-CB 3.44Å; D388-D392 PolarHBondContact O-N 3.42Å
393K80.9Confident80.3Confident181 Ų18162.9 Ų62.979%0.78734%0.341SS*.THydrogen-bonded Turntrans-93.5-9.3176.6-69.3175.7-177.6-175.20113.4R389 A390 I391R389-K393 WeakPolarHBondContact O-CD 3.36Å; R389-K393 VanDerWaalsContact O-CG 3.3Å; R389-K393 WeakPolarHBondContact O-CG 3.32Å; A390-K393 PolarHBondContact O-N 2.85Å; I391-K393 PolarHBondContact O-N 2.91Å
394V80.7Confident80.8Confident31 Ų3165.4 Ų65.419%0.18835%0.353CS..SBendtrans-97.9127.4-178.7176.90000107.8A390 I391 G398 I400 C428A390-V394 WeakPolarHBondContact O-CG2 3.31Å; I391-V394 PolarHBondContact O-N 2.93Å; V394-G398 VanDerWaalsContact CG1-CA 3.42Å; V394-I400 HydrophobicContact CG2-CG1 4.47Å; V394-C428 HydrophobicContact CG1-CB 4.39Å
395S75.4Confident81.3Confident83 Ų8364.7 Ų64.758%0.5835%0.346SS*.PPolyproline II helixtrans-62.8148.8171.650.20000110.2G397 G398S395-G397 PolarHBondContact O-N 2.82Å; S395-G398 WeakPolarHBondContact O-CA 3.31Å; S395-G398 PolarHBondContact O-N 3.07Å
396P72.9Confident81.7Confident129 Ų12960 Ų6084%0.83832%0.324SS*.THydrogen-bonded Turntrans-49.2129.1175.1-26.333.8000111.7G398P396-G398 VanDerWaalsContact C-N 3.33Å
397G76.5Confident81.8Confident65 Ų6564.8 Ų64.867%0.6734%0.34SS*.THydrogen-bonded Turntrans81.51.8-173.200000115.6S395 G427S395-G397 PolarHBondContact O-N 2.82Å; G397-G427 VanDerWaalsContact CA-O 3.32Å; G397-G427 WeakPolarHBondContact CA-O 3.46Å; G397-G427 PolarHBondContact N-O 3.17Å
398G84.8Confident81.7Confident12 Ų1264.8 Ų64.812%0.12434%0.339CS..  trans-83.1-178.8175.600000113.4V394 S395 P396 C428 T429V394-G398 VanDerWaalsContact CG1-CA 3.42Å; S395-G398 WeakPolarHBondContact O-CA 3.31Å; S395-G398 PolarHBondContact O-N 3.07Å; P396-G398 VanDerWaalsContact C-N 3.33Å; G398-C428 WeakPolarHBondContact O-CA 3.45Å; G398-T429 PolarHBondContact O-N 2.68Å
399H87.2Confident81.3Confident87 Ų8765 Ų6540%0.40334%0.336SS..EExtended strand (participates in β ladder)trans-118.6138.8-177.655.7-86.7000112.6Q401 T429H399-Q401 PolarHBondContact CD2-NE2 3.48Å; H399-Q401 PolarHBondContact NE2-NE2 3.2Å; H399-T429 CarbonylContact C-O 3.59Å; H399-T429 VanDerWaalsContact CA-O 3.24Å; H399-T429 WeakPolarHBondContact CA-O 3.46Å
400I85.2Confident80.8Confident1 Ų162 Ų621%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-70.7128.8166.1-57.1176000107.7L387 A390 I391 V394 I404 T419 A423 T429 V430 D431L387-I400 HydrophobicContact CD1-CD1 3.57Å; A390-I400 HydrophobicContact CB-CG2 4.32Å; I391-I400 HydrophobicContact CD1-CD1 4.36Å; I391-I400 HydrophobicContact CG1-CD1 3.73Å; I391-I400 HydrophobicContact CG1-CG1 4.37Å; V394-I400 HydrophobicContact CG2-CG1 4.47Å; I400-I404 HydrophobicContact CG2-CB 4.22Å; I400-I404 HydrophobicContact CG2-CG2 4.19Å; I400-T419 HydrophobicContact CD1-CG2 4.3Å; I400-A423 HydrophobicContact CD1-CB 3.85Å; I400-T429 PolarHBondContact N-O 3.34Å; I400-V430 HydrophobicContact CB-CG2 4.36Å; I400-V430 HydrophobicContact CD1-CG2 4.34Å; I400-D431 PolarHBondContact O-N 3.47Å
401Q85.1Confident80Confident87 Ų8765.7 Ų65.741%0.40736%0.355SS..  trans-61.6138.5-179.9-61.3-63.3-58.200111.3H399 D403 I404 A405H399-Q401 PolarHBondContact CD2-NE2 3.48Å; H399-Q401 PolarHBondContact NE2-NE2 3.2Å; Q401-D403 WeakPolarHBondContact CB-OD1 3.39Å; Q401-D403 PolarHBondContact O-N 3.13Å; Q401-I404 HydrophobicContact CB-CD1 4.2Å; Q401-I404 HydrophobicContact CB-CG1 4.3Å; Q401-I404 WeakPolarHBondContact O-CB 3.29Å; Q401-I404 PolarHBondContact O-N 3.48Å; Q401-A405 PolarHBondContact O-N 2.95Å; Q401-A405 VanDerWaalsContact O-N 3.15Å
402G83.2Confident79.2Confident0 Ų069 Ų690%037%0.367CS..Hα-helixtrans-63.7-25.6-174.800000114.5A405 W406 D431G402-A405 PolarHBondContact O-N 2.91Å; G402-W406 VanDerWaalsContact O-CB 3.28Å; G402-W406 WeakPolarHBondContact O-CB 3.29Å; G402-W406 PolarHBondContact O-N 3.41Å; G402-D431 WeakPolarHBondContact CA-O 3.19Å
403D80.6Confident78.2Confident91 Ų9164.3 Ų64.349%0.48735%0.348SS..Hα-helixtrans-69.7-36.1173.771.1-38.8000112.2Q401 W406 R407Q401-D403 WeakPolarHBondContact CB-OD1 3.39Å; Q401-D403 PolarHBondContact O-N 3.13Å; D403-W406 PolarHBondContact O-N 3.47Å; D403-R407 VanDerWaalsContact O-CB 3.29Å; D403-R407 WeakPolarHBondContact O-CB 3.33Å; D403-R407 PolarHBondContact O-N 3.22Å
404I82.8Confident77.8Confident52 Ų5255.7 Ų55.727%0.26731%0.311SS..Hα-helixtrans-67.6-45.7173.5-60.8175.1000109.7A390 I400 Q401 W406 R407 L408A390-I404 HydrophobicContact CB-CD1 4.42Å; A390-I404 HydrophobicContact CB-CG2 3.92Å; I400-I404 HydrophobicContact CG2-CB 4.22Å; I400-I404 HydrophobicContact CG2-CG2 4.19Å; Q401-I404 HydrophobicContact CB-CD1 4.2Å; Q401-I404 HydrophobicContact CB-CG1 4.3Å; Q401-I404 WeakPolarHBondContact O-CB 3.29Å; Q401-I404 PolarHBondContact O-N 3.48Å; I404-W406 VanDerWaalsContact C-N 3.32Å; I404-W406 PolarHBondContact O-N 3.45Å; I404-R407 PolarHBondContact O-N 2.91Å; I404-L408 HydrophobicContact CG2-CD1 4.32Å; I404-L408 WeakPolarHBondContact O-CB 3.23Å; I404-L408 WeakPolarHBondContact O-CG 3.34Å; I404-L408 PolarHBondContact O-N 3.5Å
405A84.8Confident77.3Confident0 Ų054.2 Ų54.20%030%0.302CS..Hα-helixtrans-61.7-41175.100000111.5Q401 G402 R407 L408 Y409 T419 V430 Y435Q401-A405 PolarHBondContact O-N 2.95Å; Q401-A405 VanDerWaalsContact O-N 3.15Å; G402-A405 PolarHBondContact O-N 2.91Å; A405-R407 PolarHBondContact O-N 3.14Å; A405-L408 WeakPolarHBondContact O-CB 3.47Å; A405-L408 PolarHBondContact O-N 3.41Å; A405-Y409 PolarHBondContact O-N 2.95Å; A405-T419 HydrophobicContact CB-CG2 4.38Å; A405-V430 HydrophobicContact CB-CG1 3.57Å; A405-Y435 HydrophobicContact CB-CD2 3.82Å; A405-Y435 HydrophobicContact CB-CE2 4.49Å
406W84.8Confident77.5Confident37 Ų3750.9 Ų50.914%0.1428%0.278CS..Hα-helixtrans-64.1-41.4174.6176.1-107.7000111.3G402 D403 I404 Y409 D410 Y435 C438 R439 A442G402-W406 VanDerWaalsContact O-CB 3.28Å; G402-W406 WeakPolarHBondContact O-CB 3.29Å; G402-W406 PolarHBondContact O-N 3.41Å; D403-W406 PolarHBondContact O-N 3.47Å; I404-W406 VanDerWaalsContact C-N 3.32Å; I404-W406 PolarHBondContact O-N 3.45Å; W406-Y409 AromaticContact CE3-CD1 3.92Å; W406-Y409 HydrophobicContact CE3-CD1 3.92Å; W406-Y409 AromaticContact CH2-CD1 3.98Å; W406-Y409 HydrophobicContact CH2-CD1 3.98Å; W406-Y409 HydrophobicContact CH2-CE1 4.13Å; W406-Y409 AromaticContact CZ3-CD1 3.44Å; W406-Y409 HydrophobicContact CZ3-CD1 3.44Å; W406-Y409 VanDerWaalsContact CZ3-CD1 3.44Å; W406-Y409 AromaticContact CZ3-CE1 3.79Å; W406-Y409 HydrophobicContact CZ3-CE1 3.79Å; W406-Y409 HydrophobicContact CZ3-CG 4.42Å; W406-Y409 CarbonylContact O-C 3.51Å; W406-Y409 WeakPolarHBondContact O-CB 3.38Å; W406-Y409 PolarHBondContact O-N 3.49Å; W406-D410 HydrophobicContact CD2-CB 4.16Å; W406-D410 HydrophobicContact CH2-CB 4.3Å; W406-D410 HydrophobicContact CZ2-CB 3.72Å; W406-D410 VanDerWaalsContact O-CB 3.24Å; W406-D410 WeakPolarHBondContact O-CB 3.32Å; W406-D410 PolarHBondContact O-N 3.45Å; W406-Y435 HydrophobicContact CB-CD2 3.98Å; W406-Y435 HydrophobicContact CB-CE2 4.22Å; W406-Y435 HydrophobicContact CE3-CD2 4.44Å; W406-Y435 AromaticContact CE3-CE2 3.83Å; W406-Y435 HydrophobicContact CE3-CE2 3.83Å; W406-C438 HydrophobicContact CB-CB 3.72Å; W406-C438 HydrophobicContact CD2-CB 4.24Å; W406-C438 HydrophobicContact CG-CB 3.61Å; W406-R439 HydrophobicContact CE3-CB 3.75Å; W406-R439 HydrophobicContact CE3-CG 4.25Å; W406-R439 HydrophobicContact CH2-CB 4.06Å; W406-R439 HydrophobicContact CH2-CG 3.86Å; W406-R439 HydrophobicContact CZ3-CB 3.5Å; W406-R439 VanDerWaalsContact CZ3-CB 3.5Å; W406-R439 HydrophobicContact CZ3-CG 3.48Å; W406-R439 VanDerWaalsContact CZ3-CG 3.48Å; W406-A442 HydrophobicContact CH2-CB 4.26Å; W406-A442 HydrophobicContact CZ2-CB 3.44Å; W406-A442 VanDerWaalsContact CZ2-CB 3.44Å
407R76.3Confident77.6Confident146 Ų14645 Ų4555%0.55124%0.24SC*.Hα-helixtrans-65.6-41.5176.5-165.4-178.5-159.5162.97.2112.2D403 I404 A405 Y409 T411 Y412D403-R407 VanDerWaalsContact O-CB 3.29Å; D403-R407 WeakPolarHBondContact O-CB 3.33Å; D403-R407 PolarHBondContact O-N 3.22Å; I404-R407 PolarHBondContact O-N 2.91Å; A405-R407 PolarHBondContact O-N 3.14Å; R407-Y409 VanDerWaalsContact C-N 3.25Å; R407-Y409 PolarHBondContact O-N 2.87Å; R407-T411 WeakPolarHBondContact O-CA 3.46Å; R407-T411 WeakPolarHBondContact O-CB 3.39Å; R407-T411 PolarHBondContact O-N 3.13Å; R407-Y412 HydrophobicContact CG-CE2 4.1Å; R407-Y412 WeakPolarHBondContact O-CD2 3.35Å; R407-Y412 PolarHBondContact O-N 3.35Å
408L79.7Confident77.8Confident0 Ų042 Ų420%021%0.208CC..Hα-helixtrans-54.5-46.7172-81.9169.8000110L386 L387 I404 A405 Y412 G413 F414 T419L386-L408 HydrophobicContact CB-CD2 4.13Å; L386-L408 HydrophobicContact CD2-CD2 3.9Å; L386-L408 HydrophobicContact CD2-CG 4.27Å; L386-L408 HydrophobicContact CG-CD2 4.21Å; L387-L408 HydrophobicContact CB-CD1 4.13Å; L387-L408 HydrophobicContact CB-CD2 4.46Å; L387-L408 HydrophobicContact CD1-CD1 3.92Å; I404-L408 HydrophobicContact CG2-CD1 4.32Å; I404-L408 WeakPolarHBondContact O-CB 3.23Å; I404-L408 WeakPolarHBondContact O-CG 3.34Å; I404-L408 PolarHBondContact O-N 3.5Å; A405-L408 WeakPolarHBondContact O-CB 3.47Å; A405-L408 PolarHBondContact O-N 3.41Å; L408-Y412 CarbonylContact O-C 3.51Å; L408-Y412 WeakPolarHBondContact O-CA 3.29Å; L408-Y412 WeakPolarHBondContact O-CB 3.17Å; L408-Y412 PolarHBondContact O-N 2.66Å; L408-G413 PolarHBondContact O-N 3.47Å; L408-G413 VanDerWaalsContact O-N 3.13Å; L408-F414 CarbonylContact C-O 3.36Å; L408-F414 HydrophobicContact CB-CB 4.08Å; L408-F414 HydrophobicContact CD2-CB 4.28Å; L408-F414 HydrophobicContact CD2-CG 4.48Å; L408-F414 WeakPolarHBondContact O-CA 3.33Å; L408-F414 VanDerWaalsContact O-CB 3.3Å; L408-F414 WeakPolarHBondContact O-CB 3.16Å; L408-F414 PolarHBondContact O-N 3.33Å; L408-T419 HydrophobicContact CD1-CG2 3.97Å
409Y75.8Confident77.7Confident58 Ų5841.4 Ų41.423%0.22720%0.202CC..Hα-helixtrans-65.6-64.4176-178.3-94000113.7Y316 A405 W406 R407 G413 F414Y316-Y409 AromaticContact CE2-CE2 3.72Å; Y316-Y409 HydrophobicContact CE2-CE2 3.72Å; Y316-Y409 WeakPolarHBondContact CE2-OH 3.28Å; Y316-Y409 AromaticContact CZ-CE2 3.98Å; Y316-Y409 WeakPolarHBondContact OH-CE2 3.31Å; A405-Y409 PolarHBondContact O-N 2.95Å; W406-Y409 AromaticContact CE3-CD1 3.92Å; W406-Y409 HydrophobicContact CE3-CD1 3.92Å; W406-Y409 AromaticContact CH2-CD1 3.98Å; W406-Y409 HydrophobicContact CH2-CD1 3.98Å; W406-Y409 HydrophobicContact CH2-CE1 4.13Å; W406-Y409 AromaticContact CZ3-CD1 3.44Å; W406-Y409 HydrophobicContact CZ3-CD1 3.44Å; W406-Y409 VanDerWaalsContact CZ3-CD1 3.44Å; W406-Y409 AromaticContact CZ3-CE1 3.79Å; W406-Y409 HydrophobicContact CZ3-CE1 3.79Å; W406-Y409 HydrophobicContact CZ3-CG 4.42Å; W406-Y409 CarbonylContact O-C 3.51Å; W406-Y409 WeakPolarHBondContact O-CB 3.38Å; W406-Y409 PolarHBondContact O-N 3.49Å; R407-Y409 VanDerWaalsContact C-N 3.25Å; R407-Y409 PolarHBondContact O-N 2.87Å; Y409-G413 WeakPolarHBondContact O-CA 3.26Å; Y409-G413 PolarHBondContact O-N 3.08Å; Y409-F414 WeakPolarHBondContact CA-O 3.3Å; Y409-F414 PolarHBondContact N-O 3.25Å
410D71.7Confident77.7Confident98 Ų9840.2 Ų40.252%0.52420%0.196SC..Hα-helixtrans-70.1-45.2-169.8-176.257.3000112.5W406W406-D410 HydrophobicContact CD2-CB 4.16Å; W406-D410 HydrophobicContact CH2-CB 4.3Å; W406-D410 HydrophobicContact CZ2-CB 3.72Å; W406-D410 VanDerWaalsContact O-CB 3.24Å; W406-D410 WeakPolarHBondContact O-CB 3.32Å; W406-D410 PolarHBondContact O-N 3.45Å
411T63.9Low77.4Confident84 Ų8440.8 Ų40.852%0.51520%0.2SC..Hα-helixtrans-87.8-41.7-175.6-53.10000112.7R407R407-T411 WeakPolarHBondContact O-CA 3.46Å; R407-T411 WeakPolarHBondContact O-CB 3.39Å; R407-T411 PolarHBondContact O-N 3.13Å
412Y66.2Low77.4Confident81 Ų8137.3 Ų37.332%0.31818%0.184SC..Hα-helixtrans-100.3-11.4-173.8-59.7-81.1000113T379 L386 R407 L408 F414T379-Y412 WeakPolarHBondContact CG2-O 3.32Å; T379-Y412 PolarHBondContact OG1-O 3.08Å; L386-Y412 HydrophobicContact CD2-CD2 3.8Å; L386-Y412 HydrophobicContact CD2-CE2 3.29Å; R407-Y412 HydrophobicContact CG-CE2 4.1Å; R407-Y412 WeakPolarHBondContact O-CD2 3.35Å; R407-Y412 PolarHBondContact O-N 3.35Å; L408-Y412 CarbonylContact O-C 3.51Å; L408-Y412 WeakPolarHBondContact O-CA 3.29Å; L408-Y412 WeakPolarHBondContact O-CB 3.17Å; L408-Y412 PolarHBondContact O-N 2.66Å; Y412-F414 VanDerWaalsContact C-N 3.26Å
413G63.4Low77.5Confident27 Ų2737.3 Ų37.328%0.27818%0.184SC..  trans71.421.8-175.800000112.6R323 L408 Y409 P415R323-G413 PolarHBondContact NH1-O 3.05Å; L408-G413 PolarHBondContact O-N 3.47Å; L408-G413 VanDerWaalsContact O-N 3.13Å; Y409-G413 WeakPolarHBondContact O-CA 3.26Å; Y409-G413 PolarHBondContact O-N 3.08Å; G413-P415 WeakPolarHBondContact O-CD 3.45Å
414F72.7Confident77.7Confident0 Ų038.3 Ų38.30%019%0.186CC..  trans-88.6109.9-179-159.7-88.4000109.7T379 L380 L387 L408 Y409 Y412 L418 T419 I422T379-F414 HydrophobicContact CG2-CB 4.45Å; T379-F414 HydrophobicContact CG2-CD2 4.27Å; L380-F414 HydrophobicContact CD1-CE2 3.58Å; L380-F414 HydrophobicContact CD1-CZ 4.09Å; L387-F414 HydrophobicContact CD2-CE1 3.82Å; L387-F414 HydrophobicContact CD2-CZ 4.13Å; L408-F414 CarbonylContact C-O 3.36Å; L408-F414 HydrophobicContact CB-CB 4.08Å; L408-F414 HydrophobicContact CD2-CB 4.28Å; L408-F414 HydrophobicContact CD2-CG 4.48Å; L408-F414 WeakPolarHBondContact O-CA 3.33Å; L408-F414 VanDerWaalsContact O-CB 3.3Å; L408-F414 WeakPolarHBondContact O-CB 3.16Å; L408-F414 PolarHBondContact O-N 3.33Å; Y409-F414 WeakPolarHBondContact CA-O 3.3Å; Y409-F414 PolarHBondContact N-O 3.25Å; Y412-F414 VanDerWaalsContact C-N 3.26Å; F414-L418 HydrophobicContact CD1-CB 4.4Å; F414-L418 HydrophobicContact CE1-CB 3.77Å; F414-L418 HydrophobicContact CZ-CB 4.2Å; F414-T419 WeakPolarHBondContact CD1-OG1 3.46Å; F414-I422 HydrophobicContact CE1-CD1 3.98Å; F414-I422 HydrophobicContact CZ-CD1 3.62Å
415P70.5Confident77.6Confident1 Ų138.8 Ų38.81%0.00619%0.187CC..  trans-54.4141.2-175.5-24.133.1000113.3G413 D417 L418 T419G413-P415 WeakPolarHBondContact O-CD 3.45Å; P415-D417 VanDerWaalsContact C-N 3.28Å; P415-D417 WeakPolarHBondContact CB-OD1 3.43Å; P415-D417 PolarHBondContact O-N 3.39Å; P415-L418 HydrophobicContact CB-CB 4.39Å; P415-L418 HydrophobicContact CB-CD1 4.42Å; P415-L418 HydrophobicContact CB-CG 4.23Å; P415-L418 HydrophobicContact CG-CD1 4.02Å; P415-L418 HydrophobicContact CG-CG 4.36Å; P415-L418 PolarHBondContact O-N 3.06Å; P415-T419 PolarHBondContact O-N 2.84Å; P415-T419 VanDerWaalsContact O-N 3.14Å; P415-T419 PolarHBondContact O-OG1 3.44Å; P415-T419 VanDerWaalsContact O-OG1 3.12Å
416V79.6Confident77.6Confident12 Ų1244.8 Ų44.87%0.07321%0.209CC..Hα-helixtrans-64.2-35.2-179.564.90000112L418 T419 E420 M432 Y435V416-L418 VanDerWaalsContact C-N 3.33Å; V416-L418 PolarHBondContact O-N 2.89Å; V416-T419 CarbonylContact O-C 3.56Å; V416-T419 WeakPolarHBondContact O-CA 3.47Å; V416-T419 WeakPolarHBondContact O-CB 3.43Å; V416-T419 PolarHBondContact O-N 2.99Å; V416-E420 PolarHBondContact O-N 3.21Å; V416-M432 HydrophobicContact CG1-CE 4.42Å; V416-M432 HydrophobicContact CG2-CE 3.75Å; V416-M432 HydrophobicContact CG2-SD 3.66Å; V416-Y435 HydrophobicContact CB-CE1 4.14Å; V416-Y435 HydrophobicContact CB-CE2 3.83Å; V416-Y435 HydrophobicContact CG1-CE1 4.06Å; V416-Y435 HydrophobicContact CG2-CD1 4.17Å; V416-Y435 HydrophobicContact CG2-CD2 3.96Å; V416-Y435 HydrophobicContact CG2-CE1 3.97Å; V416-Y435 HydrophobicContact CG2-CE2 3.72Å; V416-Y435 HydrophobicContact CG2-CG 4.17Å
417D75.6Confident77.5Confident7 Ų745.1 Ų45.14%0.03723%0.225CC..Hα-helixtrans-65.8-35.417760.5-48.8000112.7R320 P415 T419 L421R320-D417 IonicContact CZ-OD2 3.72Å; R320-D417 IonicContact NE-OD1 2.76Å; R320-D417 PolarHBondContact NE-OD1 3.05Å; R320-D417 IonicContact NE-OD2 3.62Å; R320-D417 PolarHBondContact NE-OD2 3.42Å; R320-D417 VanDerWaalsContact NH2-CG 3.29Å; R320-D417 IonicContact NH2-OD2 3.52Å; R320-D417 PolarHBondContact NH2-OD2 3.08Å; P415-D417 VanDerWaalsContact C-N 3.28Å; P415-D417 WeakPolarHBondContact CB-OD1 3.43Å; P415-D417 PolarHBondContact O-N 3.39Å; D417-T419 VanDerWaalsContact C-N 3.28Å; D417-L421 VanDerWaalsContact O-CB 3.23Å; D417-L421 WeakPolarHBondContact O-CB 3.37Å; D417-L421 PolarHBondContact O-N 2.96Å
418L79.8Confident78.1Confident1 Ų138.5 Ų38.51%0.00520%0.2CC..Hα-helixtrans-68.3-32.2169.9-69.4-175000111.6R323 R324 F376 F414 P415 V416 I422R323-L418 HydrophobicContact CB-CD1 3.96Å; R324-L418 HydrophobicContact CB-CD2 4.15Å; R324-L418 HydrophobicContact CG-CD2 4.45Å; F376-L418 HydrophobicContact CE2-CD1 3.86Å; F376-L418 HydrophobicContact CZ-CD1 3.5Å; F376-L418 VanDerWaalsContact CZ-CD1 3.5Å; F414-L418 HydrophobicContact CD1-CB 4.4Å; F414-L418 HydrophobicContact CE1-CB 3.77Å; F414-L418 HydrophobicContact CZ-CB 4.2Å; P415-L418 HydrophobicContact CB-CB 4.39Å; P415-L418 HydrophobicContact CB-CD1 4.42Å; P415-L418 HydrophobicContact CB-CG 4.23Å; P415-L418 HydrophobicContact CG-CD1 4.02Å; P415-L418 HydrophobicContact CG-CG 4.36Å; P415-L418 PolarHBondContact O-N 3.06Å; V416-L418 VanDerWaalsContact C-N 3.33Å; V416-L418 PolarHBondContact O-N 2.89Å; L418-I422 WeakPolarHBondContact O-CB 3.43Å; L418-I422 WeakPolarHBondContact O-CD1 3.22Å; L418-I422 WeakPolarHBondContact O-CG1 3.48Å; L418-I422 PolarHBondContact O-N 3.29Å
419T83.2Confident78.5Confident0 Ų042.3 Ų42.30%022%0.224CC..Hα-helixtrans-67.5-45.5175.5-52.60000110.9L387 I400 A405 L408 F414 P415 V416 D417 A423 V430L387-T419 HydrophobicContact CD1-CG2 3.76Å; I400-T419 HydrophobicContact CD1-CG2 4.3Å; A405-T419 HydrophobicContact CB-CG2 4.38Å; L408-T419 HydrophobicContact CD1-CG2 3.97Å; F414-T419 WeakPolarHBondContact CD1-OG1 3.46Å; P415-T419 PolarHBondContact O-N 2.84Å; P415-T419 VanDerWaalsContact O-N 3.14Å; P415-T419 PolarHBondContact O-OG1 3.44Å; P415-T419 VanDerWaalsContact O-OG1 3.12Å; V416-T419 CarbonylContact O-C 3.56Å; V416-T419 WeakPolarHBondContact O-CA 3.47Å; V416-T419 WeakPolarHBondContact O-CB 3.43Å; V416-T419 PolarHBondContact O-N 2.99Å; D417-T419 VanDerWaalsContact C-N 3.28Å; T419-A423 VanDerWaalsContact O-CB 3.26Å; T419-A423 WeakPolarHBondContact O-CB 3.4Å; T419-A423 PolarHBondContact O-N 3.25Å; T419-V430 HydrophobicContact CG2-CG2 3.9Å
420E85.9Confident79.1Confident61 Ų6140.2 Ų40.229%0.28522%0.217SC..Hα-helixtrans-60.8-49.7174.4-71.4176.7112.900111.4V416 I422 A423 E424 V430 M432V416-E420 PolarHBondContact O-N 3.21Å; E420-I422 PolarHBondContact O-N 2.94Å; E420-A423 WeakPolarHBondContact O-CB 3.28Å; E420-A423 PolarHBondContact O-N 3.04Å; E420-A423 VanDerWaalsContact O-N 3.13Å; E420-E424 WeakPolarHBondContact O-CG 3.25Å; E420-E424 PolarHBondContact O-N 2.94Å; E420-V430 HydrophobicContact CB-CG2 4.42Å; E420-V430 HydrophobicContact CG-CB 3.95Å; E420-V430 HydrophobicContact CG-CG2 3.8Å; E420-M432 VanDerWaalsContact CD-SD 3.54Å; E420-M432 HydrophobicContact CG-SD 4.02Å; E420-M432 WeakPolarHBondContact OE1-CG 2.97Å
421L80.7Confident79.9Confident14 Ų1437.8 Ų37.87%0.07320%0.204CC..Hα-helixtrans-61.3-43.2-179.3-174.168.4000112.4R327 F328 D417 A423 E424 E425R327-L421 VanDerWaalsContact NH1-CD2 3.33Å; F328-L421 HydrophobicContact CE2-CD2 3.67Å; F328-L421 HydrophobicContact CZ-CD2 3.88Å; D417-L421 VanDerWaalsContact O-CB 3.23Å; D417-L421 WeakPolarHBondContact O-CB 3.37Å; D417-L421 PolarHBondContact O-N 2.96Å; L421-A423 VanDerWaalsContact C-N 3.35Å; L421-E424 PolarHBondContact O-N 3.26Å; L421-E425 WeakPolarHBondContact O-CG 3.39Å; L421-E425 PolarHBondContact O-N 2.86Å
422I83.8Confident81.1Confident14 Ų1436.4 Ų36.47%0.07219%0.192CC..Hα-helixtrans-67.9-37.2176.2-67.8166.1000111L387 I391 F414 L418 E420 R426L387-I422 HydrophobicContact CD2-CB 3.85Å; L387-I422 HydrophobicContact CD2-CD1 3.56Å; L387-I422 HydrophobicContact CD2-CG1 4.29Å; L387-I422 HydrophobicContact CD2-CG2 3.68Å; L387-I422 HydrophobicContact CG-CG2 4.28Å; I391-I422 HydrophobicContact CD1-CG2 3.86Å; F414-I422 HydrophobicContact CE1-CD1 3.98Å; F414-I422 HydrophobicContact CZ-CD1 3.62Å; L418-I422 WeakPolarHBondContact O-CB 3.43Å; L418-I422 WeakPolarHBondContact O-CD1 3.22Å; L418-I422 WeakPolarHBondContact O-CG1 3.48Å; L418-I422 PolarHBondContact O-N 3.29Å; E420-I422 PolarHBondContact O-N 2.94Å; I422-R426 PolarHBondContact O-N 3.28Å
423A86.1Confident82.1Confident0 Ų038.3 Ų38.30%021%0.212CC..Hα-helixtrans-62.5-48.2175.500000110.5I400 T419 E420 L421 E425 R426 G427 C428 V430I400-A423 HydrophobicContact CD1-CB 3.85Å; T419-A423 VanDerWaalsContact O-CB 3.26Å; T419-A423 WeakPolarHBondContact O-CB 3.4Å; T419-A423 PolarHBondContact O-N 3.25Å; E420-A423 WeakPolarHBondContact O-CB 3.28Å; E420-A423 PolarHBondContact O-N 3.04Å; E420-A423 VanDerWaalsContact O-N 3.13Å; L421-A423 VanDerWaalsContact C-N 3.35Å; A423-E425 PolarHBondContact O-N 3.14Å; A423-R426 CarbonylContact O-C 3.59Å; A423-R426 WeakPolarHBondContact O-CA 3.26Å; A423-R426 PolarHBondContact O-N 3.18Å; A423-G427 PolarHBondContact O-N 2.88Å; A423-C428 CarbonylContact C-O 3.59Å; A423-C428 HydrophobicContact CB-CB 4.19Å; A423-C428 PolarHBondContact O-N 2.73Å; A423-V430 HydrophobicContact CB-CG2 4.12Å
424E85Confident83Confident112 Ų11238.5 Ų38.552%0.52321%0.211SC..Hα-helixtrans-59.1-45.9177.5-75.5-177.6178.400111.8K87 E420 L421 R426 G427 C428K87-E424 IonicContact NZ-OE2 2.89Å; E420-E424 WeakPolarHBondContact O-CG 3.25Å; E420-E424 PolarHBondContact O-N 2.94Å; L421-E424 PolarHBondContact O-N 3.26Å; E424-R426 PolarHBondContact O-N 2.74Å; E424-R426 VanDerWaalsContact O-N 3.13Å; E424-G427 PolarHBondContact O-N 3.35Å; E424-C428 PolarHBondContact N-O 3.4Å
425E80.8Confident83.6Confident62 Ų6238.8 Ų38.829%0.2921%0.212SC..Hα-helixtrans-57.6-27175.8-77.6176.4-130.400112.8R327 K332 L421 A423R327-E425 IonicContact CZ-OE1 3.63Å; R327-E425 VanDerWaalsContact CZ-OE1 3.31Å; R327-E425 IonicContact NH1-OE1 2.75Å; R327-E425 PolarHBondContact NH1-OE1 3.41Å; R327-E425 VanDerWaalsContact NH2-CD 3.28Å; R327-E425 IonicContact NH2-OE1 3.35Å; R327-E425 PolarHBondContact NH2-OE1 3.47Å; R327-E425 IonicContact NH2-OE2 2.84Å; R327-E425 PolarHBondContact NH2-OE2 3.49Å; K332-E425 IonicContact NZ-OE2 2.9Å; K332-E425 PolarHBondContact NZ-OE2 2.9Å; L421-E425 WeakPolarHBondContact O-CG 3.39Å; L421-E425 PolarHBondContact O-N 2.86Å; A423-E425 PolarHBondContact O-N 3.14Å
426R83.7Confident84.2Confident125 Ų12541.8 Ų41.847%0.47223%0.226SC..THydrogen-bonded Turntrans-103.813.1177-62.8-158-176.5166.913.9113.8D388 I391 I422 A423 E424 C428D388-R426 IonicContact OD1-CZ 3.18Å; D388-R426 IonicContact OD1-NH1 3.55Å; D388-R426 PolarHBondContact OD1-NH1 2.88Å; D388-R426 IonicContact OD1-NH2 2.87Å; D388-R426 PolarHBondContact OD1-NH2 3.3Å; I391-R426 HydrophobicContact CG2-CB 4.19Å; I422-R426 PolarHBondContact O-N 3.28Å; A423-R426 CarbonylContact O-C 3.59Å; A423-R426 WeakPolarHBondContact O-CA 3.26Å; A423-R426 PolarHBondContact O-N 3.18Å; E424-R426 PolarHBondContact O-N 2.74Å; E424-R426 VanDerWaalsContact O-N 3.13Å; R426-C428 PolarHBondContact O-N 3.05Å
427G83.9Confident84.3Confident45 Ų4544.1 Ų44.146%0.46425%0.246SC..THydrogen-bonded Turntrans69.529.2176.400000114.5G397 A423 E424G397-G427 VanDerWaalsContact CA-O 3.32Å; G397-G427 WeakPolarHBondContact CA-O 3.46Å; G397-G427 PolarHBondContact N-O 3.17Å; A423-G427 PolarHBondContact O-N 2.88Å; E424-G427 PolarHBondContact O-N 3.35Å
428C87.8Confident84.5Confident6 Ų645.6 Ų45.64%0.04126%0.257CS..  trans-120.4167.3173.7-60.60000110V394 G398 A423 E424 R426V394-C428 HydrophobicContact CG1-CB 4.39Å; G398-C428 WeakPolarHBondContact O-CA 3.45Å; A423-C428 CarbonylContact C-O 3.59Å; A423-C428 HydrophobicContact CB-CB 4.19Å; A423-C428 PolarHBondContact O-N 2.73Å; E424-C428 PolarHBondContact N-O 3.4Å; R426-C428 PolarHBondContact O-N 3.05Å
429T89.2Confident84.4Confident81 Ų8150.3 Ų50.350%0.49728%0.275SS..EExtended strand (participates in β ladder)trans-121175.5171.358.30000111G398 H399 I400G398-T429 PolarHBondContact O-N 2.68Å; H399-T429 CarbonylContact C-O 3.59Å; H399-T429 VanDerWaalsContact CA-O 3.24Å; H399-T429 WeakPolarHBondContact CA-O 3.46Å; I400-T429 PolarHBondContact N-O 3.34Å
430V86.8Confident84Confident14 Ų1454 Ų549%0.08529%0.294CS..EExtended strand (participates in β ladder)trans-112.1136.9171.4-178.60000108.3I400 A405 T419 E420 A423 M432I400-V430 HydrophobicContact CB-CG2 4.36Å; I400-V430 HydrophobicContact CD1-CG2 4.34Å; A405-V430 HydrophobicContact CB-CG1 3.57Å; T419-V430 HydrophobicContact CG2-CG2 3.9Å; E420-V430 HydrophobicContact CB-CG2 4.42Å; E420-V430 HydrophobicContact CG-CB 3.95Å; E420-V430 HydrophobicContact CG-CG2 3.8Å; A423-V430 HydrophobicContact CB-CG2 4.12Å; V430-M432 VanDerWaalsContact C-N 3.3Å; V430-M432 HydrophobicContact CB-SD 4.19Å; V430-M432 HydrophobicContact CG1-SD 3.88Å; V430-M432 PolarHBondContact O-N 3.33Å
431D89.5Confident83.4Confident46 Ų4654 Ų5425%0.24630%0.304CS..  trans-73.688.7170.6-175-11.6000110I400 G402 V433 A434 Y435I400-D431 PolarHBondContact O-N 3.47Å; G402-D431 WeakPolarHBondContact CA-O 3.19Å; D431-V433 VanDerWaalsContact C-N 3.26Å; D431-V433 PolarHBondContact O-N 3.2Å; D431-V433 WeakPolarHBondContact OD1-CB 3.4Å; D431-V433 PolarHBondContact OD1-N 3.01Å; D431-V433 VanDerWaalsContact OD1-N 3.12Å; D431-A434 HydrophobicContact CB-CB 4.18Å; D431-A434 PolarHBondContact O-N 3.1Å; D431-A434 PolarHBondContact OD1-N 3.1Å; D431-A434 WeakPolarHBondContact OD2-CB 3.47Å; D431-Y435 PolarHBondContact O-N 3.37Å
432M88.8Confident82.8Confident55 Ų5555.1 Ų55.127%0.27132%0.316SS..Hα-helixtrans-69.1-24.3-179-68.6-56.2-77.200113.2V416 E420 V430 Y435 E436V416-M432 HydrophobicContact CG1-CE 4.42Å; V416-M432 HydrophobicContact CG2-CE 3.75Å; V416-M432 HydrophobicContact CG2-SD 3.66Å; E420-M432 VanDerWaalsContact CD-SD 3.54Å; E420-M432 HydrophobicContact CG-SD 4.02Å; E420-M432 WeakPolarHBondContact OE1-CG 2.97Å; V430-M432 VanDerWaalsContact C-N 3.3Å; V430-M432 HydrophobicContact CB-SD 4.19Å; V430-M432 HydrophobicContact CG1-SD 3.88Å; V430-M432 PolarHBondContact O-N 3.33Å; M432-Y435 HydrophobicContact CE-CD1 4.06Å; M432-Y435 HydrophobicContact CE-CE1 4.47Å; M432-Y435 PolarHBondContact O-N 2.6Å; M432-Y435 HydrophobicContact SD-CD1 4.38Å; M432-Y435 HydrophobicContact SD-CG 4.45Å; M432-E436 WeakPolarHBondContact O-CB 3.29Å; M432-E436 WeakPolarHBondContact O-CG 3.5Å; M432-E436 PolarHBondContact O-N 3.02Å
433V86.8Confident81.5Confident121 Ų12158.3 Ų58.373%0.73333%0.33SS*.Hα-helixtrans-69.1-47.5176.3179.20000109.5D431 Y435 E436 A437D431-V433 VanDerWaalsContact C-N 3.26Å; D431-V433 PolarHBondContact O-N 3.2Å; D431-V433 WeakPolarHBondContact OD1-CB 3.4Å; D431-V433 PolarHBondContact OD1-N 3.01Å; D431-V433 VanDerWaalsContact OD1-N 3.12Å; V433-Y435 VanDerWaalsContact C-N 3.35Å; V433-E436 PolarHBondContact O-N 3.37Å; V433-A437 PolarHBondContact O-N 3.3Å; V433-A437 VanDerWaalsContact O-N 3.09Å
434A84.1Confident80.2Confident31 Ų3165.9 Ų65.926%0.25636%0.363SS..Hα-helixtrans-65.2-38.3175.100000112.1D431 A437 C438D431-A434 HydrophobicContact CB-CB 4.18Å; D431-A434 PolarHBondContact O-N 3.1Å; D431-A434 PolarHBondContact OD1-N 3.1Å; D431-A434 WeakPolarHBondContact OD2-CB 3.47Å; A434-A437 PolarHBondContact O-N 2.91Å; A434-C438 PolarHBondContact O-N 2.93Å; A434-C438 PolarHBondContact O-SG 3.28Å
435Y85.1Confident78.5Confident7 Ų764.6 Ų64.63%0.02737%0.372CS..Hα-helixtrans-59.8-48.7175.9172.3-93.7000111.8A405 W406 V416 D431 M432 V433 A437 C438 R439A405-Y435 HydrophobicContact CB-CD2 3.82Å; A405-Y435 HydrophobicContact CB-CE2 4.49Å; W406-Y435 HydrophobicContact CB-CD2 3.98Å; W406-Y435 HydrophobicContact CB-CE2 4.22Å; W406-Y435 HydrophobicContact CE3-CD2 4.44Å; W406-Y435 AromaticContact CE3-CE2 3.83Å; W406-Y435 HydrophobicContact CE3-CE2 3.83Å; V416-Y435 HydrophobicContact CB-CE1 4.14Å; V416-Y435 HydrophobicContact CB-CE2 3.83Å; V416-Y435 HydrophobicContact CG1-CE1 4.06Å; V416-Y435 HydrophobicContact CG2-CD1 4.17Å; V416-Y435 HydrophobicContact CG2-CD2 3.96Å; V416-Y435 HydrophobicContact CG2-CE1 3.97Å; V416-Y435 HydrophobicContact CG2-CE2 3.72Å; V416-Y435 HydrophobicContact CG2-CG 4.17Å; D431-Y435 PolarHBondContact O-N 3.37Å; M432-Y435 HydrophobicContact CE-CD1 4.06Å; M432-Y435 HydrophobicContact CE-CE1 4.47Å; M432-Y435 PolarHBondContact O-N 2.6Å; M432-Y435 HydrophobicContact SD-CD1 4.38Å; M432-Y435 HydrophobicContact SD-CG 4.45Å; V433-Y435 VanDerWaalsContact C-N 3.35Å; Y435-A437 VanDerWaalsContact C-N 3.32Å; Y435-A437 PolarHBondContact O-N 2.94Å; Y435-C438 WeakPolarHBondContact O-CB 3.45Å; Y435-C438 PolarHBondContact O-N 3.33Å; Y435-R439 PolarHBondContact O-N 2.94Å
436E81.7Confident76.6Confident64 Ų6466 Ų6630%0.29939%0.389SS..Hα-helixtrans-63.3-38.3178.3-83-65.4165.600112.1M432 V433 C438 R439 L440M432-E436 WeakPolarHBondContact O-CB 3.29Å; M432-E436 WeakPolarHBondContact O-CG 3.5Å; M432-E436 PolarHBondContact O-N 3.02Å; V433-E436 PolarHBondContact O-N 3.37Å; E436-C438 PolarHBondContact O-N 3.02Å; E436-R439 VanDerWaalsContact CD-NH2 3.31Å; E436-R439 PolarHBondContact O-N 2.87Å; E436-R439 IonicContact OE1-CZ 3.79Å; E436-R439 VanDerWaalsContact OE1-CZ 3.24Å; E436-R439 IonicContact OE1-NE 3.95Å; E436-R439 PolarHBondContact OE1-NE 3.02Å; E436-R439 IonicContact OE1-NH1 2.55Å; E436-R439 IonicContact OE1-NH2 2.66Å; E436-R439 PolarHBondContact OE1-NH2 2.78Å; E436-R439 VanDerWaalsContact OE1-NH2 3.15Å; E436-R439 IonicContact OE2-CZ 3.28Å; E436-R439 IonicContact OE2-NE 3.06Å; E436-R439 PolarHBondContact OE2-NE 2.82Å; E436-R439 IonicContact OE2-NH2 3.76Å; E436-R439 PolarHBondContact OE2-NH2 2.83Å; E436-L440 WeakPolarHBondContact O-CB 3.48Å; E436-L440 VanDerWaalsContact O-CG 3.3Å; E436-L440 WeakPolarHBondContact O-CG 3.31Å; E436-L440 PolarHBondContact O-N 2.73Å
437A81.8Confident74.3Confident60 Ų6066 Ų6650%0.49639%0.394SS..Hα-helixtrans-60.6-44.1173.700000112V433 A434 Y435 A441V433-A437 PolarHBondContact O-N 3.3Å; V433-A437 VanDerWaalsContact O-N 3.09Å; A434-A437 PolarHBondContact O-N 2.91Å; Y435-A437 VanDerWaalsContact C-N 3.32Å; Y435-A437 PolarHBondContact O-N 2.94Å; A437-A441 WeakPolarHBondContact O-CB 3.38Å; A437-A441 PolarHBondContact O-N 3.23Å
438C79.2Confident71.6Confident39 Ų3970.4 Ų70.426%0.26441%0.412SS..Hα-helixtrans-63.4-43.9175-71.30000112.3W406 A434 Y435 E436 A441 A442W406-C438 HydrophobicContact CB-CB 3.72Å; W406-C438 HydrophobicContact CD2-CB 4.24Å; W406-C438 HydrophobicContact CG-CB 3.61Å; A434-C438 PolarHBondContact O-N 2.93Å; A434-C438 PolarHBondContact O-SG 3.28Å; Y435-C438 WeakPolarHBondContact O-CB 3.45Å; Y435-C438 PolarHBondContact O-N 3.33Å; E436-C438 PolarHBondContact O-N 3.02Å; C438-A441 PolarHBondContact O-N 3.26Å; C438-A442 PolarHBondContact O-N 2.98Å; C438-A442 VanDerWaalsContact O-N 3.07Å
439R78Confident68.7Low100 Ų10079.2 Ų79.238%0.37745%0.449SS..Hα-helixtrans-59.6-48.9176.6-177.2-178.577.9144.11.8111.9W406 Y435 E436 A441 A442 Q443W406-R439 HydrophobicContact CE3-CB 3.75Å; W406-R439 HydrophobicContact CE3-CG 4.25Å; W406-R439 HydrophobicContact CH2-CB 4.06Å; W406-R439 HydrophobicContact CH2-CG 3.86Å; W406-R439 HydrophobicContact CZ3-CB 3.5Å; W406-R439 VanDerWaalsContact CZ3-CB 3.5Å; W406-R439 HydrophobicContact CZ3-CG 3.48Å; W406-R439 VanDerWaalsContact CZ3-CG 3.48Å; Y435-R439 PolarHBondContact O-N 2.94Å; E436-R439 VanDerWaalsContact CD-NH2 3.31Å; E436-R439 PolarHBondContact O-N 2.87Å; E436-R439 IonicContact OE1-CZ 3.79Å; E436-R439 VanDerWaalsContact OE1-CZ 3.24Å; E436-R439 IonicContact OE1-NE 3.95Å; E436-R439 PolarHBondContact OE1-NE 3.02Å; E436-R439 IonicContact OE1-NH1 2.55Å; E436-R439 IonicContact OE1-NH2 2.66Å; E436-R439 PolarHBondContact OE1-NH2 2.78Å; E436-R439 VanDerWaalsContact OE1-NH2 3.15Å; E436-R439 IonicContact OE2-CZ 3.28Å; E436-R439 IonicContact OE2-NE 3.06Å; E436-R439 PolarHBondContact OE2-NE 2.82Å; E436-R439 IonicContact OE2-NH2 3.76Å; E436-R439 PolarHBondContact OE2-NH2 2.83Å; R439-A441 VanDerWaalsContact C-N 3.32Å; R439-A441 PolarHBondContact O-N 3.45Å; R439-A442 PolarHBondContact O-N 3.43Å; R439-Q443 PolarHBondContact O-N 2.83Å
440L74.5Confident65.7Low77 Ų7783.6 Ų83.640%0.40347%0.468SS..Hα-helixtrans-64.1-37.5180-72.9170.1000111.8E436 Q443 K444E436-L440 WeakPolarHBondContact O-CB 3.48Å; E436-L440 VanDerWaalsContact O-CG 3.3Å; E436-L440 WeakPolarHBondContact O-CG 3.31Å; E436-L440 PolarHBondContact O-N 2.73Å; L440-Q443 PolarHBondContact O-N 3.36Å; L440-K444 WeakPolarHBondContact O-CB 3.27Å; L440-K444 WeakPolarHBondContact O-CG 3.3Å; L440-K444 PolarHBondContact O-N 3.11Å
441A74.2Confident62.8Low61 Ų6187.9 Ų87.950%0.50450%0.499SS..Hα-helixtrans-62.7-42.7174.600000111.7A437 C438 R439 A445A437-A441 WeakPolarHBondContact O-CB 3.38Å; A437-A441 PolarHBondContact O-N 3.23Å; C438-A441 PolarHBondContact O-N 3.26Å; R439-A441 VanDerWaalsContact C-N 3.32Å; R439-A441 PolarHBondContact O-N 3.45Å; A441-A445 PolarHBondContact O-N 3.11Å
442A67.3Low59.7Low37 Ų3792 Ų9231%0.30653%0.53SS..Hα-helixtrans-67-38.2175.500000112.8W406 C438 R439 A445 S446W406-A442 HydrophobicContact CH2-CB 4.26Å; W406-A442 HydrophobicContact CZ2-CB 3.44Å; W406-A442 VanDerWaalsContact CZ2-CB 3.44Å; C438-A442 PolarHBondContact O-N 2.98Å; C438-A442 VanDerWaalsContact O-N 3.07Å; R439-A442 PolarHBondContact O-N 3.43Å; A442-A445 PolarHBondContact O-N 3.17Å; A442-S446 PolarHBondContact O-N 3.48Å
443Q57.9Low56.8Low82 Ų8297.4 Ų97.438%0.38355%0.552SS.*Hα-helixtrans-67.7-41.2177-168.917719.300112.2R439 L440 A445 S446 Q447R439-Q443 PolarHBondContact O-N 2.83Å; L440-Q443 PolarHBondContact O-N 3.36Å; Q443-A445 VanDerWaalsContact C-N 3.25Å; Q443-A445 PolarHBondContact O-N 2.84Å; Q443-S446 PolarHBondContact O-N 3.03Å; Q443-S446 VanDerWaalsContact O-N 3.07Å; Q443-S446 PolarHBondContact O-OG 3.25Å; Q443-Q447 HydrophobicContact CG-CG 4.26Å; Q443-Q447 VanDerWaalsContact NE2-NE2 3.13Å; Q443-Q447 WeakPolarHBondContact O-CG 3.47Å; Q443-Q447 PolarHBondContact O-N 3Å
444K57.6Low54.1Low158 Ų15899.2 Ų99.269%0.68756%0.558SS**Hα-helixtrans-61.7-34.9174.5-75.8176.4-178.4177.60112.1L440 S446L440-K444 WeakPolarHBondContact O-CB 3.27Å; L440-K444 WeakPolarHBondContact O-CG 3.3Å; L440-K444 PolarHBondContact O-N 3.11Å; K444-S446 PolarHBondContact O-N 2.85Å
445A50.1Low52Low85 Ų85101.7 Ų101.770%0.70259%0.586SS**Hα-helixtrans-66.7-19.217600000113.4A441 A442 Q443A441-A445 PolarHBondContact O-N 3.11Å; A442-A445 PolarHBondContact O-N 3.17Å; Q443-A445 VanDerWaalsContact C-N 3.25Å; Q443-A445 PolarHBondContact O-N 2.84Å
446S40.5Very low50.4Low93 Ų93106.2 Ų106.265%0.6561%0.61SS**Hα-helixtrans-104.3-11.5-177.761.40000115.7A442 Q443 K444 V448A442-S446 PolarHBondContact O-N 3.48Å; Q443-S446 PolarHBondContact O-N 3.03Å; Q443-S446 VanDerWaalsContact O-N 3.07Å; Q443-S446 PolarHBondContact O-OG 3.25Å; K444-S446 PolarHBondContact O-N 2.85Å; S446-V448 PolarHBondContact O-N 2.85Å
447Q35.1Very low48.9Very low124 Ų124111.2 Ų111.258%0.57963%0.634SS**  trans-96.229.2-166.6-82.1-173.8-13.800117.8Q443 K449Q443-Q447 HydrophobicContact CG-CG 4.26Å; Q443-Q447 VanDerWaalsContact NE2-NE2 3.13Å; Q443-Q447 WeakPolarHBondContact O-CG 3.47Å; Q443-Q447 PolarHBondContact O-N 3Å; Q447-K449 PolarHBondContact O-N 3.19Å
448V26.9Very low48.1Very low138 Ų138109.4 Ų109.484%0.83662%0.615SS**  trans-70.325.3-177.5-177.50000115S446S446-V448 PolarHBondContact O-N 2.85Å
449K28.8Very low47.5Very low190 Ų190110.2 Ų110.283%0.82662%0.621SS**SBendtrans-139.899.8176.6-74.7-173.1178.1176.60115.2Q447Q447-K449 PolarHBondContact O-N 3.19Å
450L25.4Very low46.9Very low173 Ų173107.1 Ų107.191%0.90662%0.617SS**  trans51.7110.9145.2-72.7130.4000120.9
451S25.8Very low46.9Very low105 Ų105105.9 Ų105.973%0.73461%0.613SS**  trans-127.5116.615067.50000109.7
452C25Very low47Very low132 Ų132103.2 Ų103.289%0.89259%0.591SS**  trans-92.9109.3164-170.20000107.9
453K27.3Very low47.6Very low169 Ų169102.4 Ų102.474%0.73558%0.581SS**  trans-91.3130.3168.3-68179.7174.3-176.80106.9
454N30.2Very low48.5Very low158 Ų158103 Ų10385%0.84558%0.583SS**  trans165.7124.9141.9-79.2-15.5000112.6
455G39.8Very low49.7Very low83 Ų8399.5 Ų99.586%0.85657%0.568SS**SBendtrans99.9-14.7140.800000121.8
456L50.6Low51.4Low102 Ų10295.4 Ų95.453%0.53454%0.535SS..  trans-104.612.4-166.2-73.5165.4000116.6F458 V521 S569L456-F458 PolarHBondContact O-N 2.86Å; L456-F458 VanDerWaalsContact O-N 3.14Å; L456-V521 HydrophobicContact CD2-CG2 3.52Å; L456-S569 WeakPolarHBondContact CD2-OG 3.41Å
457E52.2Low53.3Low170 Ų17095.8 Ų95.879%0.79453%0.529SS*.  trans-75.8105.3179.6-85.8-176.9157.600112.3S459E457-S459 VanDerWaalsContact C-N 3.25Å; E457-S459 PolarHBondContact O-N 3.48Å
458F64.5Low55.6Low21 Ų2195.7 Ų95.79%0.09253%0.533CS..  trans-76.180.7159.8-88.1-107000109.1L456 V462 L466 R505 F510 V521 I523 L567L456-F458 PolarHBondContact O-N 2.86Å; L456-F458 VanDerWaalsContact O-N 3.14Å; F458-V462 HydrophobicContact CD1-CB 4.09Å; F458-V462 HydrophobicContact CD1-CG1 3.25Å; F458-V462 HydrophobicContact CE1-CG1 3.41Å; F458-V462 VanDerWaalsContact CE1-CG1 3.41Å; F458-V462 HydrophobicContact CG-CG1 3.96Å; F458-V462 HydrophobicContact CZ-CG1 4.26Å; F458-L466 HydrophobicContact CD1-CD1 4.3Å; F458-L466 HydrophobicContact CE1-CD1 3.97Å; F458-R505 HydrophobicContact CZ-CB 4.37Å; F458-R505 VanDerWaalsContact CZ-CD 3.4Å; F458-F510 HydrophobicContact CE1-CZ 4.31Å; F458-V521 HydrophobicContact CE2-CB 4.43Å; F458-V521 HydrophobicContact CE2-CG1 4.02Å; F458-V521 HydrophobicContact CE2-CG2 4.48Å; F458-V521 HydrophobicContact CZ-CG1 4.21Å; F458-I523 HydrophobicContact CE1-CD1 3.94Å; F458-I523 HydrophobicContact CZ-CD1 4.09Å; F458-L567 HydrophobicContact CB-CD1 4.13Å; F458-L567 HydrophobicContact CD1-CD1 4.4Å; F458-L567 HydrophobicContact CD1-CD2 4.06Å; F458-L567 HydrophobicContact CD2-CD1 3.41Å; F458-L567 VanDerWaalsContact CD2-CD1 3.41Å; F458-L567 HydrophobicContact CD2-CD2 4.07Å; F458-L567 HydrophobicContact CD2-CG 4.34Å; F458-L567 HydrophobicContact CE1-CD2 3.81Å; F458-L567 HydrophobicContact CE2-CD1 3.83Å; F458-L567 HydrophobicContact CE2-CD2 3.79Å; F458-L567 HydrophobicContact CE2-CG 4.34Å; F458-L567 HydrophobicContact CG-CD1 3.72Å; F458-L567 HydrophobicContact CG-CD2 4.19Å; F458-L567 HydrophobicContact CZ-CD2 3.66Å
459S66.1Low58.4Low56 Ų5694 Ų9439%0.39252%0.519SS..  trans-71.3167174.358.60000111.7E457 P461 V462 L463E457-S459 VanDerWaalsContact C-N 3.25Å; E457-S459 PolarHBondContact O-N 3.48Å; S459-P461 VanDerWaalsContact C-CD 3.42Å; S459-P461 VanDerWaalsContact C-N 3.29Å; S459-P461 WeakPolarHBondContact OG-CD 3.35Å; S459-V462 WeakPolarHBondContact O-CB 3.05Å; S459-V462 PolarHBondContact O-N 3.17Å; S459-L463 PolarHBondContact O-N 3.14Å
460A66.1Low61.2Low35 Ų3588 Ų8829%0.28951%0.511SS..Hα-helixtrans-50.4-39.5178.600000114.3V462 L463 K464A460-V462 VanDerWaalsContact C-N 3.3Å; A460-V462 PolarHBondContact O-N 3.15Å; A460-L463 PolarHBondContact O-N 2.96Å; A460-K464 PolarHBondContact O-N 3.36Å
461P73Confident64.3Low52 Ų5281.1 Ų81.134%0.33848%0.475SS..Hα-helixtrans-57.8-37.6173-27.335.1000114.4S459 K464 E465S459-P461 VanDerWaalsContact C-CD 3.42Å; S459-P461 VanDerWaalsContact C-N 3.29Å; S459-P461 WeakPolarHBondContact OG-CD 3.35Å; P461-K464 PolarHBondContact O-N 2.93Å; P461-E465 PolarHBondContact O-N 2.53Å
462V77.5Confident67.4Low5 Ų579.8 Ų79.83%0.0346%0.463CS..Hα-helixtrans-70.6-40.2-180-176.50000111.2F458 S459 A460 K464 E465 L466 R505 F510F458-V462 HydrophobicContact CD1-CB 4.09Å; F458-V462 HydrophobicContact CD1-CG1 3.25Å; F458-V462 HydrophobicContact CE1-CG1 3.41Å; F458-V462 VanDerWaalsContact CE1-CG1 3.41Å; F458-V462 HydrophobicContact CG-CG1 3.96Å; F458-V462 HydrophobicContact CZ-CG1 4.26Å; S459-V462 WeakPolarHBondContact O-CB 3.05Å; S459-V462 PolarHBondContact O-N 3.17Å; A460-V462 VanDerWaalsContact C-N 3.3Å; A460-V462 PolarHBondContact O-N 3.15Å; V462-K464 VanDerWaalsContact C-N 3.3Å; V462-E465 PolarHBondContact O-N 2.95Å; V462-L466 PolarHBondContact O-N 2.79Å; V462-R505 VanDerWaalsContact CG1-CZ 3.45Å; V462-R505 VanDerWaalsContact CG1-NH1 3.27Å; V462-F510 HydrophobicContact CG1-CE2 4.05Å; V462-F510 HydrophobicContact CG1-CZ 3.85Å
463L79.5Confident70.6Confident19 Ų1977.5 Ų77.510%0.09945%0.445CS..Hα-helixtrans-64.6-37.8175.5-65.6174.6000111.4T53 S459 A460 L466 N467 A563 Y565T53-L463 HydrophobicContact CG2-CD1 4.29Å; S459-L463 PolarHBondContact O-N 3.14Å; A460-L463 PolarHBondContact O-N 2.96Å; L463-L466 PolarHBondContact O-N 2.89Å; L463-N467 PolarHBondContact O-N 3.1Å; L463-N467 VanDerWaalsContact O-N 3.1Å; L463-A563 HydrophobicContact CD1-CB 3.82Å; L463-A563 HydrophobicContact CD2-CB 4.02Å; L463-Y565 HydrophobicContact CD2-CD2 3.92Å; L463-Y565 HydrophobicContact CD2-CE2 4.22Å
464K76.7Confident73.8Confident96 Ų9670 Ų7042%0.41741%0.414SS..Hα-helixtrans-62.8-45.9172.8-173.3-178.4175.9-1770111.4A460 P461 V462 L466 N467 D468A460-K464 PolarHBondContact O-N 3.36Å; P461-K464 PolarHBondContact O-N 2.93Å; V462-K464 VanDerWaalsContact C-N 3.3Å; K464-L466 VanDerWaalsContact C-N 3.3Å; K464-L466 PolarHBondContact O-N 2.92Å; K464-N467 PolarHBondContact O-N 2.84Å; K464-N467 VanDerWaalsContact O-N 3.11Å; K464-D468 WeakPolarHBondContact O-CB 3.5Å; K464-D468 VanDerWaalsContact O-CG 3.27Å; K464-D468 PolarHBondContact O-N 3.48Å
465E83.9Confident76.9Confident83 Ų8365.5 Ų65.539%0.38839%0.39SS..Hα-helixtrans-59-39.4177.3-169.1176.5-17200112.1P461 V462 D468 L469 R505 F510P461-E465 PolarHBondContact O-N 2.53Å; V462-E465 PolarHBondContact O-N 2.95Å; E465-D468 PolarHBondContact O-N 2.87Å; E465-L469 HydrophobicContact CG-CD1 4.37Å; E465-L469 WeakPolarHBondContact O-CB 2.93Å; E465-L469 WeakPolarHBondContact O-CG 3.46Å; E465-L469 PolarHBondContact O-N 2.78Å; E465-R505 IonicContact OE2-NH1 3.6Å; E465-F510 HydrophobicContact CB-CE2 4.04Å; E465-F510 HydrophobicContact CG-CD2 3.84Å; E465-F510 HydrophobicContact CG-CE2 3.79Å; E465-F510 WeakPolarHBondContact OE1-CD2 3.42Å; E465-F510 WeakPolarHBondContact OE2-CD2 3.41Å; E465-F510 VanDerWaalsContact OE2-CE2 3.3Å; E465-F510 WeakPolarHBondContact OE2-CE2 3.32Å
466L84.7Confident79.5Confident0 Ų064.2 Ų64.20%036%0.363CS..Hα-helixtrans-62.3-44.7172.5-74.3173.1000113F458 V462 L463 K464 L469 G470 I471 A503 F510 I523 Y565F458-L466 HydrophobicContact CD1-CD1 4.3Å; F458-L466 HydrophobicContact CE1-CD1 3.97Å; V462-L466 PolarHBondContact O-N 2.79Å; L463-L466 PolarHBondContact O-N 2.89Å; K464-L466 VanDerWaalsContact C-N 3.3Å; K464-L466 PolarHBondContact O-N 2.92Å; L466-L469 PolarHBondContact O-N 3.44Å; L466-G470 PolarHBondContact O-N 3.05Å; L466-I471 HydrophobicContact CD2-CB 4.22Å; L466-I471 HydrophobicContact CD2-CG1 4.14Å; L466-I471 HydrophobicContact CD2-CG2 4.32Å; L466-I471 PolarHBondContact O-N 3.45Å; L466-A503 HydrophobicContact CD2-CB 4.21Å; L466-F510 HydrophobicContact CD1-CZ 4.46Å; L466-F510 HydrophobicContact CD2-CE1 3.57Å; L466-F510 HydrophobicContact CD2-CE2 4.44Å; L466-F510 HydrophobicContact CD2-CZ 3.49Å; L466-F510 VanDerWaalsContact CD2-CZ 3.49Å; L466-F510 HydrophobicContact CG-CE1 4.27Å; L466-F510 HydrophobicContact CG-CE2 4.48Å; L466-F510 HydrophobicContact CG-CZ 3.69Å; L466-I523 HydrophobicContact CD1-CD1 3.77Å; L466-I523 HydrophobicContact CD2-CD1 3.73Å; L466-I523 HydrophobicContact CG-CD1 4.39Å; L466-Y565 HydrophobicContact CB-CE1 4.37Å; L466-Y565 HydrophobicContact CB-CE2 4.32Å; L466-Y565 HydrophobicContact CD1-CD1 4.07Å; L466-Y565 HydrophobicContact CD1-CD2 3.88Å; L466-Y565 HydrophobicContact CD1-CE1 4.06Å; L466-Y565 HydrophobicContact CD1-CE2 3.88Å; L466-Y565 HydrophobicContact CD1-CG 3.97Å
467N80.1Confident81.5Confident100 Ų10061.5 Ų61.554%0.53535%0.353SS..Hα-helixtrans-65.2-42.4177.6-75.8-15.3000111.5L463 K464 L469 G470 Y565L463-N467 PolarHBondContact O-N 3.1Å; L463-N467 VanDerWaalsContact O-N 3.1Å; K464-N467 PolarHBondContact O-N 2.84Å; K464-N467 VanDerWaalsContact O-N 3.11Å; N467-L469 VanDerWaalsContact C-N 3.26Å; N467-L469 PolarHBondContact O-N 3.12Å; N467-G470 WeakPolarHBondContact O-CA 3.29Å; N467-G470 PolarHBondContact O-N 3.43Å; N467-Y565 PolarHBondContact OD1-OH 3.11Å
468D83.7Confident83.5Confident123 Ų12354.6 Ų54.666%0.65832%0.319SS*.Hα-helixtrans-64.3-32.7177.6-69.4-15.4000111.3K464 E465 G470K464-D468 WeakPolarHBondContact O-CB 3.5Å; K464-D468 VanDerWaalsContact O-CG 3.27Å; K464-D468 PolarHBondContact O-N 3.48Å; E465-D468 PolarHBondContact O-N 2.87Å; D468-G470 PolarHBondContact O-N 3.34Å
469L84.8Confident84.9Confident103 Ų10354.3 Ų54.354%0.53932%0.318SS..THydrogen-bonded Turntrans-75.9-5.5171.8-71.2170.9000113.6E465 L466 N467 I471 F510E465-L469 HydrophobicContact CG-CD1 4.37Å; E465-L469 WeakPolarHBondContact O-CB 2.93Å; E465-L469 WeakPolarHBondContact O-CG 3.46Å; E465-L469 PolarHBondContact O-N 2.78Å; L466-L469 PolarHBondContact O-N 3.44Å; N467-L469 VanDerWaalsContact C-N 3.26Å; N467-L469 PolarHBondContact O-N 3.12Å; L469-I471 VanDerWaalsContact C-N 3.3Å; L469-I471 HydrophobicContact CB-CD1 4.43Å; L469-I471 HydrophobicContact CB-CG1 3.88Å; L469-I471 PolarHBondContact O-N 3.18Å; L469-F510 HydrophobicContact CD1-CD2 4.41Å; L469-F510 HydrophobicContact CD1-CG 4.49Å
470G88.3Confident86.2Confident63 Ų6354.7 Ų54.765%0.64931%0.311SS*.THydrogen-bonded Turntrans68.126.1-17900000113.9L466 N467 D468 P472L466-G470 PolarHBondContact O-N 3.05Å; N467-G470 WeakPolarHBondContact O-CA 3.29Å; N467-G470 PolarHBondContact O-N 3.43Å; D468-G470 PolarHBondContact O-N 3.34Å; G470-P472 WeakPolarHBondContact O-CD 3.44Å
471I89.9Confident87.5Confident29 Ų2957.8 Ų57.815%0.14932%0.315CS..PPolyproline II helixtrans-76.1121.5178.8-56.5-59.5000109.1L466 L469 L502 I523 Y565L466-I471 HydrophobicContact CD2-CB 4.22Å; L466-I471 HydrophobicContact CD2-CG1 4.14Å; L466-I471 HydrophobicContact CD2-CG2 4.32Å; L466-I471 PolarHBondContact O-N 3.45Å; L469-I471 VanDerWaalsContact C-N 3.3Å; L469-I471 HydrophobicContact CB-CD1 4.43Å; L469-I471 HydrophobicContact CB-CG1 3.88Å; L469-I471 PolarHBondContact O-N 3.18Å; I471-L502 HydrophobicContact CD1-CB 4.49Å; I471-L502 HydrophobicContact CG2-CB 3.92Å; I471-L502 HydrophobicContact CG2-CD1 4.07Å; I471-I523 HydrophobicContact CG2-CG2 4.43Å; I471-Y565 HydrophobicContact CB-CE1 4.5Å; I471-Y565 HydrophobicContact CG2-CE1 4.08Å; I471-Y565 PolarHBondContact O-OH 3.49Å
472P91.8Very high88.4Confident77 Ų7756.1 Ų56.150%0.530%0.303SS..PPolyproline II helixtrans-71.9157.7176.629.9-35.7000111.9G470 L502 Y565G470-P472 WeakPolarHBondContact O-CD 3.44Å; P472-L502 HydrophobicContact CG-CD1 3.89Å; P472-Y565 WeakPolarHBondContact O-CE1 2.84Å
473T91.2Very high88.9Confident84 Ų8459 Ų5952%0.51532%0.323SS..PPolyproline II helixtrans-62152.4170.752.40000111.6G564T473-G564 WeakPolarHBondContact CB-O 3.48Å
474T94.5Very high89.2Confident11 Ų1159.6 Ų59.67%0.06733%0.327CS..PPolyproline II helixtrans-76.9132.7-177.9-55.90000111.4D476 C524 T527 G564 V566T474-D476 PolarHBondContact O-N 3.42Å; T474-C524 WeakPolarHBondContact CB-O 3.31Å; T474-C524 WeakPolarHBondContact CG2-O 3.33Å; T474-C524 PolarHBondContact OG1-O 3.37Å; T474-T527 HydrophobicContact CG2-CG2 3.78Å; T474-G564 PolarHBondContact N-O 3.46Å; T474-V566 HydrophobicContact CG2-CB 3.94Å; T474-V566 HydrophobicContact CG2-CG2 3.96Å; T474-V566 PolarHBondContact OG1-N 2.54Å
475D95.8Very high89.3Confident64 Ų6458.3 Ų58.334%0.34233%0.334SS..BIsolated β-bridgetrans-76.998.7165.9172.918.3000110.4S477 D525 R526 T527D475-S477 WeakPolarHBondContact OD1-CB 3.49Å; D475-S477 PolarHBondContact OD1-N 3.3Å; D475-S477 PolarHBondContact OD1-OG 2.93Å; D475-D525 PolarHBondContact N-O 3.49Å; D475-R526 HydrophobicContact CB-CB 4.02Å; D475-R526 CarbonylContact O-C 3.59Å; D475-R526 WeakPolarHBondContact O-CA 3.5Å; D475-R526 WeakPolarHBondContact O-CB 3.24Å; D475-T527 PolarHBondContact O-N 3.42Å
476D93.9Very high88.9Confident55 Ų5557.5 Ų57.529%0.29433%0.333SS..  trans-93.39.7179.376.7-14.9000113.6T474 W478 K479 T527 V566T474-D476 PolarHBondContact O-N 3.42Å; D476-W478 PolarHBondContact O-N 2.92Å; D476-K479 HydrophobicContact CB-CD 4.45Å; D476-K479 WeakPolarHBondContact O-CD 3.43Å; D476-K479 WeakPolarHBondContact O-CE 3.49Å; D476-K479 WeakPolarHBondContact O-CG 3.41Å; D476-K479 PolarHBondContact O-N 3.47Å; D476-K479 IonicContact OD1-NZ 3.61Å; D476-K479 IonicContact OD2-NZ 3.49Å; D476-K479 PolarHBondContact OD2-NZ 2.77Å; D476-T527 HydrophobicContact CB-CG2 4.16Å; D476-V566 HydrophobicContact CB-CG2 3.97Å
477S93.5Very high88.3Confident45 Ų4561.1 Ų61.132%0.31536%0.355SS..G310 helixtrans-66.2-20.6-178.768.80000113.3D475 K479 Y480D475-S477 WeakPolarHBondContact OD1-CB 3.49Å; D475-S477 PolarHBondContact OD1-N 3.3Å; D475-S477 PolarHBondContact OD1-OG 2.93Å; S477-K479 PolarHBondContact O-N 3.47Å; S477-Y480 PolarHBondContact O-N 3.4Å; S477-Y480 VanDerWaalsContact O-N 3.12Å
478W94.8Very high87.8Confident25 Ų2560.8 Ų60.810%0.09537%0.366CS..G310 helixtrans-63.2-25.3-179.8-78.272.8000113.2D476 Y480 R481 E495 T496 C497 T527D476-W478 PolarHBondContact O-N 2.92Å; W478-Y480 PolarHBondContact O-N 3.02Å; W478-Y480 VanDerWaalsContact O-N 3.07Å; W478-R481 WeakPolarHBondContact O-CB 3.21Å; W478-R481 PolarHBondContact O-N 3.38Å; W478-E495 HydrophobicContact CZ3-CG 4.11Å; W478-T496 VanDerWaalsContact CZ3-O 3.27Å; W478-T496 WeakPolarHBondContact CZ3-O 3.29Å; W478-C497 HydrophobicContact CD2-CB 4.17Å; W478-C497 HydrophobicContact CE3-CB 3.54Å; W478-C497 HydrophobicContact CZ3-CB 4.03Å; W478-T527 WeakPolarHBondContact CB-O 3.32Å
479K93.3Very high87Confident15 Ų1560.6 Ų60.67%0.06537%0.365CS..G310 helixtrans-60.4-19.3174.776-159.8175.2-1760113.6D476 S477 Y482 S528 Y530D476-K479 HydrophobicContact CB-CD 4.45Å; D476-K479 WeakPolarHBondContact O-CD 3.43Å; D476-K479 WeakPolarHBondContact O-CE 3.49Å; D476-K479 WeakPolarHBondContact O-CG 3.41Å; D476-K479 PolarHBondContact O-N 3.47Å; D476-K479 IonicContact OD1-NZ 3.61Å; D476-K479 IonicContact OD2-NZ 3.49Å; D476-K479 PolarHBondContact OD2-NZ 2.77Å; S477-K479 PolarHBondContact O-N 3.47Å; K479-Y482 WeakPolarHBondContact O-CD1 3.47Å; K479-Y482 WeakPolarHBondContact O-CE1 3.23Å; K479-S528 WeakPolarHBondContact CA-O 3.49Å; K479-S528 WeakPolarHBondContact CB-O 3.4Å; K479-Y530 HydrophobicContact CD-CD2 3.87Å; K479-Y530 HydrophobicContact CD-CE2 4.42Å
480Y93.8Very high86.6Confident64 Ų6456.5 Ų56.525%0.25134%0.343SS..G310 helixtrans-93.7-2.2176.4-54.2-54.8000114.1S477 W478 Y482 G725S477-Y480 PolarHBondContact O-N 3.4Å; S477-Y480 VanDerWaalsContact O-N 3.12Å; W478-Y480 PolarHBondContact O-N 3.02Å; W478-Y480 VanDerWaalsContact O-N 3.07Å; Y480-Y482 PolarHBondContact O-N 3.43Å; Y480-G725 WeakPolarHBondContact OH-CA 3.47Å; Y480-G725 PolarHBondContact OH-O 3.3Å
481R92.8Very high86.1Confident100 Ų10055.7 Ų55.738%0.37732%0.324SS..  trans-90.279.2-179.4-61.8-175.1-178-155.31.7110.6W478 E495W478-R481 WeakPolarHBondContact O-CB 3.21Å; W478-R481 PolarHBondContact O-N 3.38Å; R481-E495 HydrophobicContact CB-CB 3.85Å; R481-E495 WeakPolarHBondContact CD-OE2 3.18Å; R481-E495 IonicContact NH1-OE1 3.69Å; R481-E495 PolarHBondContact NH1-OE1 3.06Å; R481-E495 VanDerWaalsContact NH1-OE1 3.12Å; R481-E495 IonicContact NH1-OE2 3.59Å; R481-E495 PolarHBondContact O-N 3.24Å
482Y91.3Very high86Confident18 Ų1854.8 Ų54.87%0.07132%0.319CS..EExtended strand (participates in β ladder)trans-140.3153.517555.6-95.7000111.7K479 Y480 Y492 V493 M605 T727 H728 H730K479-Y482 WeakPolarHBondContact O-CD1 3.47Å; K479-Y482 WeakPolarHBondContact O-CE1 3.23Å; Y480-Y482 PolarHBondContact O-N 3.43Å; Y482-Y492 AromaticContact CD2-CD1 3.65Å; Y482-Y492 HydrophobicContact CD2-CD1 3.65Å; Y482-Y492 HydrophobicContact CD2-CE1 4.02Å; Y482-Y492 HydrophobicContact CE2-CD1 4.13Å; Y482-Y492 HydrophobicContact CE2-CE1 4.1Å; Y482-V493 CarbonylContact C-O 3.39Å; Y482-V493 VanDerWaalsContact CA-O 3.22Å; Y482-V493 WeakPolarHBondContact CA-O 3.29Å; Y482-V493 WeakPolarHBondContact CB-O 3.25Å; Y482-M605 HydrophobicContact CD2-CE 3.98Å; Y482-M605 HydrophobicContact CE2-CE 3.37Å; Y482-T727 HydrophobicContact CE1-CG2 4.38Å; Y482-H728 WeakPolarHBondContact CE2-O 3.48Å; Y482-H728 PolarHBondContact OH-N 3.2Å; Y482-H728 PolarHBondContact OH-O 3.41Å; Y482-H730 AromaticContact CD2-NE2 3.58Å; Y482-H730 AromaticContact CE2-CD2 3.68Å; Y482-H730 AromaticContact CE2-NE2 3.29Å; Y482-H730 VanDerWaalsContact CE2-NE2 3.29Å; Y482-H730 WeakPolarHBondContact CE2-NE2 3.32Å; Y482-H730 PolarHBondContact O-CE1 3Å
483S89.4Confident85.7Confident66 Ų6654.2 Ų54.246%0.46231%0.314SS..EExtended strand (participates in β ladder)trans-133162.4-179680000111.2Y492 V493S483-Y492 CarbonylContact O-C 3.35Å; S483-Y492 VanDerWaalsContact O-CA 3.31Å; S483-Y492 WeakPolarHBondContact O-CA 3.25Å; S483-V493 PolarHBondContact N-O 3.42Å; S483-V493 PolarHBondContact O-N 3.06Å
484V85.3Confident85.5Confident30 Ų3051.1 Ų51.118%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-95.5108.1173.4-178.80000107.4D486 V487 N491 Y492 H730V484-D486 WeakPolarHBondContact CG1-O 3.47Å; V484-V487 HydrophobicContact CG1-CB 4.38Å; V484-V487 HydrophobicContact CG1-CG2 4.02Å; V484-N491 WeakPolarHBondContact CA-O 3.29Å; V484-Y492 HydrophobicContact CG2-CD1 3.83Å; V484-Y492 HydrophobicContact CG2-CE1 3.22Å; V484-Y492 HydrophobicContact CG2-CE2 4.28Å; V484-Y492 VanDerWaalsContact CG2-CZ 3.45Å; V484-Y492 WeakPolarHBondContact CG2-OH 3.4Å; V484-H730 HydrophobicContact CG2-CB 4Å
485A78.4Confident85.3Confident69 Ų6955.1 Ų55.157%0.5731%0.312SS*.EExtended strand (participates in β ladder)trans-69.7-38.2-179.700000111.9N491 V493A485-N491 PolarHBondContact N-O 3.47Å; A485-V493 HydrophobicContact CB-CG2 3.77Å
486D75.4Confident85Confident67 Ų6756.2 Ų56.236%0.35832%0.321SS..EExtended strand (participates in β ladder)trans-137.3116.7172.2-175.4-20.1000109.4V484 A488 L489 N490 N491V484-D486 WeakPolarHBondContact CG1-O 3.47Å; D486-A488 VanDerWaalsContact C-N 3.27Å; D486-A488 PolarHBondContact O-N 2.6Å; D486-A488 WeakPolarHBondContact OD1-CA 3.43Å; D486-A488 WeakPolarHBondContact OD1-CB 3.34Å; D486-A488 PolarHBondContact OD1-N 3.04Å; D486-L489 HydrophobicContact CB-CB 4.06Å; D486-L489 HydrophobicContact CB-CD1 4.19Å; D486-L489 HydrophobicContact CB-CG 4.27Å; D486-L489 PolarHBondContact O-N 3.48Å; D486-L489 PolarHBondContact OD1-N 2.93Å; D486-L489 VanDerWaalsContact OD2-CD1 3.3Å; D486-L489 WeakPolarHBondContact OD2-CD1 3.37Å; D486-L489 WeakPolarHBondContact OD2-CG 3.32Å; D486-N490 PolarHBondContact O-N 2.65Å; D486-N490 VanDerWaalsContact O-N 3.16Å; D486-N491 PolarHBondContact O-N 3Å
487V72.1Confident85Confident75 Ų7553.6 Ų53.646%0.45531%0.307SS..THydrogen-bonded Turntrans-66.8-29.4-178.3-175.40000111.7V484 H734V484-V487 HydrophobicContact CG1-CB 4.38Å; V484-V487 HydrophobicContact CG1-CG2 4.02Å; V487-H734 PolarHBondContact O-NE2 2.91Å; V487-H734 VanDerWaalsContact O-NE2 3.16Å
488A70.2Confident85Confident94 Ų9454.8 Ų54.878%0.77731%0.312SS*.THydrogen-bonded Turntrans-75.2-34176.800000112D486D486-A488 VanDerWaalsContact C-N 3.27Å; D486-A488 PolarHBondContact O-N 2.6Å; D486-A488 WeakPolarHBondContact OD1-CA 3.43Å; D486-A488 WeakPolarHBondContact OD1-CB 3.34Å; D486-A488 PolarHBondContact OD1-N 3.04Å
489L66.6Low85Confident119 Ų11953.7 Ų53.762%0.62331%0.308SS*.THydrogen-bonded Turntrans-91.4-2.6-176.6-64.1176.2000114.2D486 N491D486-L489 HydrophobicContact CB-CB 4.06Å; D486-L489 HydrophobicContact CB-CD1 4.19Å; D486-L489 HydrophobicContact CB-CG 4.27Å; D486-L489 PolarHBondContact O-N 3.48Å; D486-L489 PolarHBondContact OD1-N 2.93Å; D486-L489 VanDerWaalsContact OD2-CD1 3.3Å; D486-L489 WeakPolarHBondContact OD2-CD1 3.37Å; D486-L489 WeakPolarHBondContact OD2-CG 3.32Å; L489-N491 HydrophobicContact CB-CB 4.36Å; L489-N491 PolarHBondContact O-N 3.37Å
490N75.5Confident85.2Confident17 Ų1759.2 Ų59.29%0.09133%0.329CS..THydrogen-bonded Turntrans51.342.7-177-175.518.9000111.2D486 Y492 R602 H734D486-N490 PolarHBondContact O-N 2.65Å; D486-N490 VanDerWaalsContact O-N 3.16Å; N490-Y492 WeakPolarHBondContact OD1-CE2 3.32Å; N490-R602 WeakPolarHBondContact O-CD 3.43Å; N490-R602 PolarHBondContact O-NH1 2.99Å; N490-H734 HydrophobicContact CB-CB 4.41Å; N490-H734 PolarHBondContact ND2-O 2.88Å; N490-H734 WeakPolarHBondContact OD1-CB 3.5Å; N490-H734 VanDerWaalsContact OD1-CG 3.24Å; N490-H734 PolarHBondContact OD1-ND1 2.92Å
491N79.1Confident85.3Confident46 Ų4656.1 Ų56.125%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-98.7103.5-175.7-163.820.2000110V484 A485 D486 L489V484-N491 WeakPolarHBondContact CA-O 3.29Å; A485-N491 PolarHBondContact N-O 3.47Å; D486-N491 PolarHBondContact O-N 3Å; L489-N491 HydrophobicContact CB-CB 4.36Å; L489-N491 PolarHBondContact O-N 3.37Å
492Y86.6Confident85.5Confident10 Ų1052.3 Ų52.34%0.03930%0.304CS..EExtended strand (participates in β ladder)trans-88.4135.7177.9-76.7-86000110.4Y482 S483 V484 N490 Q598 R602 M605 L729 H730 H734Y482-Y492 AromaticContact CD2-CD1 3.65Å; Y482-Y492 HydrophobicContact CD2-CD1 3.65Å; Y482-Y492 HydrophobicContact CD2-CE1 4.02Å; Y482-Y492 HydrophobicContact CE2-CD1 4.13Å; Y482-Y492 HydrophobicContact CE2-CE1 4.1Å; S483-Y492 CarbonylContact O-C 3.35Å; S483-Y492 VanDerWaalsContact O-CA 3.31Å; S483-Y492 WeakPolarHBondContact O-CA 3.25Å; V484-Y492 HydrophobicContact CG2-CD1 3.83Å; V484-Y492 HydrophobicContact CG2-CE1 3.22Å; V484-Y492 HydrophobicContact CG2-CE2 4.28Å; V484-Y492 VanDerWaalsContact CG2-CZ 3.45Å; V484-Y492 WeakPolarHBondContact CG2-OH 3.4Å; N490-Y492 WeakPolarHBondContact OD1-CE2 3.32Å; Y492-Q598 PolarHBondContact O-OE1 2.81Å; Y492-R602 HydrophobicContact CD2-CG 4.42Å; Y492-M605 HydrophobicContact CD1-CE 3.91Å; Y492-M605 HydrophobicContact CD2-CE 4.37Å; Y492-M605 HydrophobicContact CE1-CE 3.92Å; Y492-M605 HydrophobicContact CE2-CE 4.35Å; Y492-M605 HydrophobicContact CG-CE 4.16Å; Y492-L729 HydrophobicContact CD2-CD2 4.4Å; Y492-L729 HydrophobicContact CE2-CD2 3.51Å; Y492-H730 HydrophobicContact CE1-CB 4.28Å; Y492-H730 AromaticContact CE1-CD2 3.95Å; Y492-H730 AromaticContact CE1-CG 3.9Å; Y492-H730 PolarHBondContact OH-N 3.43Å; Y492-H734 AromaticContact CE2-ND1 3.73Å; Y492-H734 AromaticContact CZ-ND1 3.76Å; Y492-H734 PolarHBondContact OH-ND1 2.87Å
493V86Confident85.7Confident65 Ų6551.8 Ų51.839%0.39430%0.303SS..EExtended strand (participates in β ladder)trans-122.9119.7176.7-177.70000108.2Y482 S483 A485Y482-V493 CarbonylContact C-O 3.39Å; Y482-V493 VanDerWaalsContact CA-O 3.22Å; Y482-V493 WeakPolarHBondContact CA-O 3.29Å; Y482-V493 WeakPolarHBondContact CB-O 3.25Å; S483-V493 PolarHBondContact N-O 3.42Å; S483-V493 PolarHBondContact O-N 3.06Å; A485-V493 HydrophobicContact CB-CG2 3.77Å
494L87.7Confident86Confident19 Ų1948.6 Ų48.610%0.09928%0.281CS..EExtended strand (participates in β ladder)trans-76.4142.4170.2-88.377.1000110.3V586L494-V586 HydrophobicContact CD2-CB 4.16Å; L494-V586 HydrophobicContact CD2-CG2 4.15Å
495E90.3Very high86.3Confident94 Ų9448.7 Ų48.744%0.43928%0.278SS..  trans-64.7136.3168.5-169.9178.7140.800110.1W478 R481 C497W478-E495 HydrophobicContact CZ3-CG 4.11Å; R481-E495 HydrophobicContact CB-CB 3.85Å; R481-E495 WeakPolarHBondContact CD-OE2 3.18Å; R481-E495 IonicContact NH1-OE1 3.69Å; R481-E495 PolarHBondContact NH1-OE1 3.06Å; R481-E495 VanDerWaalsContact NH1-OE1 3.12Å; R481-E495 IonicContact NH1-OE2 3.59Å; R481-E495 PolarHBondContact O-N 3.24Å; E495-C497 PolarHBondContact O-N 3.05Å; E495-C497 VanDerWaalsContact O-N 3.14Å
496T88.9Confident86.8Confident87 Ų8747.3 Ų47.353%0.53426%0.26SS..  trans-63.2114.4179.9-55.10000110.8W478 T583W478-T496 VanDerWaalsContact CZ3-O 3.27Å; W478-T496 WeakPolarHBondContact CZ3-O 3.29Å; T496-T583 HydrophobicContact CG2-CG2 3.79Å
497C93.3Very high87.2Confident1 Ų151.2 Ų51.21%0.00728%0.281CS..EExtended strand (participates in β ladder)trans-97.7123176.9-172.90000110.6W478 E495 S528 Q584W478-C497 HydrophobicContact CD2-CB 4.17Å; W478-C497 HydrophobicContact CE3-CB 3.54Å; W478-C497 HydrophobicContact CZ3-CB 4.03Å; E495-C497 PolarHBondContact O-N 3.05Å; E495-C497 VanDerWaalsContact O-N 3.14Å; C497-S528 WeakPolarHBondContact CB-OG 3.12Å; C497-Q584 HydrophobicContact CB-CB 4.29Å; C497-Q584 PolarHBondContact O-N 2.73Å
498V94.7Very high87.6Confident69 Ų6949.6 Ų49.642%0.41828%0.28SS..EExtended strand (participates in β ladder)trans-108114.7169.3-1780000107.9R526 K581 L582V498-R526 WeakPolarHBondContact O-CD 3.36Å; V498-K581 HydrophobicContact CG1-CB 4.18Å; V498-L582 CarbonylContact C-O 3.57Å; V498-L582 WeakPolarHBondContact CA-O 3.35Å
499C95.6Very high88.4Confident2 Ų252.3 Ų52.31%0.01427%0.274CS..EExtended strand (participates in β ladder)trans-104.7162.8179.471.10000111.7C524 D525 R526 K581 L582 Q584C499-C524 HydrophobicContact CB-CB 3.92Å; C499-C524 VanDerWaalsContact SG-SG 3.66Å; C499-D525 WeakPolarHBondContact CA-OD1 3.39Å; C499-R526 HydrophobicContact CB-CG 4.04Å; C499-R526 WeakPolarHBondContact CB-O 3.39Å; C499-K581 CarbonylContact O-C 3.59Å; C499-K581 VanDerWaalsContact O-CA 3.24Å; C499-K581 WeakPolarHBondContact O-CA 3.41Å; C499-L582 PolarHBondContact N-O 3.36Å; C499-L582 PolarHBondContact O-N 2.85Å; C499-Q584 PolarHBondContact SG-NE2 3.29Å
500R96.7Very high89.6Confident131 Ų13148.6 Ų48.649%0.49425%0.253SS..EExtended strand (participates in β ladder)trans-110.3130.8170.1-177.1-179.2176.9-138.7-4109.3L502 C524 D525 D580R500-L502 PolarHBondContact O-N 2.95Å; R500-C524 WeakPolarHBondContact O-CA 3.14Å; R500-D525 PolarHBondContact N-OD1 2.9Å; R500-D525 PolarHBondContact O-N 3.45Å; R500-D525 VanDerWaalsContact O-N 3.1Å; R500-D580 WeakPolarHBondContact CA-O 3.3Å
501V96.6Very high90.4Very high0 Ų050 Ų500%026%0.26CS..EExtended strand (participates in β ladder)trans-69119.8173.8-177.50000109.2I504 L522 I576 G579 D580 L582V501-I504 HydrophobicContact CG1-CD1 4.14Å; V501-I504 HydrophobicContact CG1-CG1 3.7Å; V501-L522 HydrophobicContact CG1-CD2 4.39Å; V501-I576 HydrophobicContact CG2-CG2 4.09Å; V501-G579 WeakPolarHBondContact O-CA 3.32Å; V501-G579 PolarHBondContact O-N 3.32Å; V501-D580 HydrophobicContact CG2-CB 4.48Å; V501-D580 PolarHBondContact N-O 3.02Å; V501-L582 HydrophobicContact CG2-CD1 3.54Å; V501-L582 HydrophobicContact CG2-CG 3.98Å
502L96.3Very high91.1Very high20 Ų2053.8 Ų53.811%0.10528%0.28CS..EExtended strand (participates in β ladder)trans-96.9-38.2179.6-62.3-177.7000112.4I471 P472 R500 I523 D525 V578I471-L502 HydrophobicContact CD1-CB 4.49Å; I471-L502 HydrophobicContact CG2-CB 3.92Å; I471-L502 HydrophobicContact CG2-CD1 4.07Å; P472-L502 HydrophobicContact CG-CD1 3.89Å; R500-L502 PolarHBondContact O-N 2.95Å; L502-I523 PolarHBondContact N-O 3.27Å; L502-D525 HydrophobicContact CD1-CB 3.99Å; L502-D525 HydrophobicContact CD2-CB 4.24Å; L502-D525 HydrophobicContact CG-CB 4.19Å; L502-V578 WeakPolarHBondContact O-CG1 3.44Å
503A95.2Very high91.5Very high6 Ų658.2 Ų58.25%0.0530%0.301CS..EExtended strand (participates in β ladder)trans-151.8149.8178.300000111L466 F510 I523L466-A503 HydrophobicContact CD2-CB 4.21Å; A503-F510 HydrophobicContact CB-CD1 4.02Å; A503-F510 HydrophobicContact CB-CE1 4.07Å; A503-I523 HydrophobicContact CB-CB 4.29Å; A503-I523 HydrophobicContact CB-CD1 4.38Å; A503-I523 PolarHBondContact N-O 3.24Å; A503-I523 PolarHBondContact O-N 3.45Å
504I94.8Very high91.8Very high0 Ų055.1 Ų55.10%028%0.282CS..EExtended strand (participates in β ladder)trans-124.8129.7176.1-52175.8000107.6V501 F510 I511 V514 C520 V521 L522 I576 V578V501-I504 HydrophobicContact CG1-CD1 4.14Å; V501-I504 HydrophobicContact CG1-CG1 3.7Å; I504-F510 VanDerWaalsContact O-CA 3.3Å; I504-F510 WeakPolarHBondContact O-CA 3.24Å; I504-I511 HydrophobicContact CB-CG1 4.13Å; I504-I511 HydrophobicContact CG2-CD1 4.22Å; I504-I511 HydrophobicContact CG2-CG1 3.87Å; I504-I511 PolarHBondContact O-N 2.94Å; I504-V514 HydrophobicContact CD1-CG2 4.16Å; I504-V514 HydrophobicContact CG2-CG1 3.56Å; I504-V514 HydrophobicContact CG2-CG2 4.16Å; I504-C520 HydrophobicContact CG2-CB 4.17Å; I504-V521 WeakPolarHBondContact CA-O 3.46Å; I504-L522 HydrophobicContact CB-CD2 4.25Å; I504-L522 HydrophobicContact CD1-CD2 4.28Å; I504-L522 HydrophobicContact CG1-CD2 3.73Å; I504-L522 HydrophobicContact CG2-CD2 3.93Å; I504-I576 HydrophobicContact CD1-CG2 4.37Å; I504-V578 HydrophobicContact CD1-CG2 4.02Å; I504-V578 HydrophobicContact CG1-CG2 3.84Å
505R92.2Very high91.9Very high31 Ų3157.1 Ų57.112%0.11730%0.295CS..EExtended strand (participates in β ladder)trans-123128.1178.3-169.2179.1176.586.11.8110.5F458 V462 E465 G508 K509 F510 C520 V521F458-R505 HydrophobicContact CZ-CB 4.37Å; F458-R505 VanDerWaalsContact CZ-CD 3.4Å; V462-R505 VanDerWaalsContact CG1-CZ 3.45Å; V462-R505 VanDerWaalsContact CG1-NH1 3.27Å; E465-R505 IonicContact OE2-NH1 3.6Å; R505-G508 PolarHBondContact NH2-O 2.84Å; R505-K509 WeakPolarHBondContact CA-O 3.34Å; R505-F510 HydrophobicContact CB-CD1 4.08Å; R505-F510 HydrophobicContact CB-CE1 4.04Å; R505-F510 HydrophobicContact CG-CD1 4.48Å; R505-F510 HydrophobicContact CG-CE1 4.38Å; R505-C520 WeakPolarHBondContact O-CA 3.3Å; R505-C520 WeakPolarHBondContact O-CB 3.19Å; R505-V521 HydrophobicContact CB-CB 4.4Å; R505-V521 PolarHBondContact N-O 3.26Å; R505-V521 PolarHBondContact O-N 3.12Å
506M88.8Confident91.6Very high40 Ų4055.8 Ų55.820%0.19730%0.297CS..EExtended strand (participates in β ladder)trans-143.2138.9178.3-175.1173.378.400109G508 K509 I511 V514 D518 D519 C520M506-G508 PolarHBondContact O-N 3.28Å; M506-G508 VanDerWaalsContact O-N 3.11Å; M506-K509 PolarHBondContact N-O 3.21Å; M506-K509 PolarHBondContact O-N 2.93Å; M506-K509 VanDerWaalsContact O-O 3.12Å; M506-I511 HydrophobicContact CB-CD1 3.57Å; M506-I511 HydrophobicContact CB-CG1 4.43Å; M506-I511 HydrophobicContact CE-CD1 3.8Å; M506-I511 HydrophobicContact CG-CD1 4.47Å; M506-I511 HydrophobicContact SD-CD1 4.23Å; M506-V514 HydrophobicContact SD-CG1 4.29Å; M506-D518 HydrophobicContact SD-CB 3.75Å; M506-D519 WeakPolarHBondContact CG-O 3.29Å; M506-C520 HydrophobicContact CB-CB 4.17Å
507N83.3Confident91Very high149 Ų14953.9 Ų53.980%0.79729%0.294SS*.THydrogen-bonded Turntrans5039.5179-61.7-36.3000113.7K509N507-K509 VanDerWaalsContact C-N 3.3Å; N507-K509 PolarHBondContact O-N 2.54Å
508G81.9Confident90.8Very high42 Ų4255.9 Ų55.943%0.43331%0.305SS..THydrogen-bonded Turntrans75.17.5178.500000116R505 M506R505-G508 PolarHBondContact NH2-O 2.84Å; M506-G508 PolarHBondContact O-N 3.28Å; M506-G508 VanDerWaalsContact O-N 3.11Å
509K86.7Confident90.4Very high151 Ų15157.1 Ų57.166%0.65731%0.309SS*.EExtended strand (participates in β ladder)trans-124.9148.1-179.8-63.5-177-179-179.60111.6R505 M506 N507R505-K509 WeakPolarHBondContact CA-O 3.34Å; M506-K509 PolarHBondContact N-O 3.21Å; M506-K509 PolarHBondContact O-N 2.93Å; M506-K509 VanDerWaalsContact O-O 3.12Å; N507-K509 VanDerWaalsContact C-N 3.3Å; N507-K509 PolarHBondContact O-N 2.54Å
510F91Very high90.3Very high40 Ų4057.4 Ų57.418%0.17531%0.311CS..EExtended strand (participates in β ladder)trans-77.6136166.4-68.2-77.3000110.5F458 V462 E465 L466 L469 A503 I504 R505F458-F510 HydrophobicContact CE1-CZ 4.31Å; V462-F510 HydrophobicContact CG1-CE2 4.05Å; V462-F510 HydrophobicContact CG1-CZ 3.85Å; E465-F510 HydrophobicContact CB-CE2 4.04Å; E465-F510 HydrophobicContact CG-CD2 3.84Å; E465-F510 HydrophobicContact CG-CE2 3.79Å; E465-F510 WeakPolarHBondContact OE1-CD2 3.42Å; E465-F510 WeakPolarHBondContact OE2-CD2 3.41Å; E465-F510 VanDerWaalsContact OE2-CE2 3.3Å; E465-F510 WeakPolarHBondContact OE2-CE2 3.32Å; L466-F510 HydrophobicContact CD1-CZ 4.46Å; L466-F510 HydrophobicContact CD2-CE1 3.57Å; L466-F510 HydrophobicContact CD2-CE2 4.44Å; L466-F510 HydrophobicContact CD2-CZ 3.49Å; L466-F510 VanDerWaalsContact CD2-CZ 3.49Å; L466-F510 HydrophobicContact CG-CE1 4.27Å; L466-F510 HydrophobicContact CG-CE2 4.48Å; L466-F510 HydrophobicContact CG-CZ 3.69Å; L469-F510 HydrophobicContact CD1-CD2 4.41Å; L469-F510 HydrophobicContact CD1-CG 4.49Å; A503-F510 HydrophobicContact CB-CD1 4.02Å; A503-F510 HydrophobicContact CB-CE1 4.07Å; I504-F510 VanDerWaalsContact O-CA 3.3Å; I504-F510 WeakPolarHBondContact O-CA 3.24Å; R505-F510 HydrophobicContact CB-CD1 4.08Å; R505-F510 HydrophobicContact CB-CE1 4.04Å; R505-F510 HydrophobicContact CG-CD1 4.48Å; R505-F510 HydrophobicContact CG-CE1 4.38Å
511I93.3Very high90.1Very high46 Ų4651.6 Ų51.624%0.23629%0.29CS..EExtended strand (participates in β ladder)trans-134.9160-178.459.6177.8000109.6I504 M506 Q513 V514I504-I511 HydrophobicContact CB-CG1 4.13Å; I504-I511 HydrophobicContact CG2-CD1 4.22Å; I504-I511 HydrophobicContact CG2-CG1 3.87Å; I504-I511 PolarHBondContact O-N 2.94Å; M506-I511 HydrophobicContact CB-CD1 3.57Å; M506-I511 HydrophobicContact CB-CG1 4.43Å; M506-I511 HydrophobicContact CE-CD1 3.8Å; M506-I511 HydrophobicContact CG-CD1 4.47Å; M506-I511 HydrophobicContact SD-CD1 4.23Å; I511-Q513 WeakPolarHBondContact CD1-O 3.47Å; I511-V514 HydrophobicContact CD1-CG1 3.39Å; I511-V514 HydrophobicContact CG1-CG1 4.27Å
512N94.1Very high90.1Very high126 Ų12651.6 Ų51.667%0.67429%0.29SS*.SBendtrans-90.6-20.9-177.3-71.8-30.2000113.4T577 V578N512-T577 CarbonylContact O-C 3.47Å; N512-T577 VanDerWaalsContact O-CA 3.28Å; N512-T577 WeakPolarHBondContact O-CA 3.44Å; N512-T577 VanDerWaalsContact O-CG2 3.22Å; N512-T577 WeakPolarHBondContact O-CG2 3.29Å; N512-V578 PolarHBondContact O-N 3.41Å
513Q94Very high90.1Very high103 Ų10350.7 Ų50.748%0.48129%0.285SS..EExtended strand (participates in β ladder)trans-151.5144.2-172.4178.9174.38100111.1I511 I575 I576 T577I511-Q513 WeakPolarHBondContact CD1-O 3.47Å; Q513-I575 HydrophobicContact CG-CG2 3.71Å; Q513-I575 VanDerWaalsContact NE2-CG2 3.27Å; Q513-I576 WeakPolarHBondContact CA-O 3.37Å; Q513-T577 PolarHBondContact NE2-OG1 2.99Å
514V91.6Very high90.1Very high0 Ų050.4 Ų50.40%028%0.283CS..EExtended strand (participates in β ladder)trans-131155.9172.7-74.40000110.1I504 M506 I511 D518 C520 V572 I575 I576I504-V514 HydrophobicContact CD1-CG2 4.16Å; I504-V514 HydrophobicContact CG2-CG1 3.56Å; I504-V514 HydrophobicContact CG2-CG2 4.16Å; M506-V514 HydrophobicContact SD-CG1 4.29Å; I511-V514 HydrophobicContact CD1-CG1 3.39Å; I511-V514 HydrophobicContact CG1-CG1 4.27Å; V514-D518 HydrophobicContact CB-CB 4.16Å; V514-D518 HydrophobicContact CG1-CB 4.34Å; V514-C520 HydrophobicContact CG1-CB 4.07Å; V514-V572 HydrophobicContact CB-CG2 3.96Å; V514-V572 HydrophobicContact CG2-CB 4.39Å; V514-V572 HydrophobicContact CG2-CG1 4.21Å; V514-V572 HydrophobicContact CG2-CG2 3.48Å; V514-V572 VanDerWaalsContact CG2-CG2 3.48Å; V514-I575 WeakPolarHBondContact O-CA 3.27Å; V514-I576 HydrophobicContact CG2-CB 3.96Å; V514-I576 PolarHBondContact N-O 3.15Å; V514-I576 PolarHBondContact O-N 3.06Å; V514-I576 VanDerWaalsContact O-N 3.1Å
515T90.4Very high90.2Very high61 Ų6152.1 Ų52.137%0.37429%0.292SS..EExtended strand (participates in β ladder)trans-128.8170.5-172.360.10000111.9G517 D518 V572 G574 I575T515-G517 PolarHBondContact O-N 2.72Å; T515-D518 PolarHBondContact N-OD2 3.32Å; T515-D518 VanDerWaalsContact O-CB 3.3Å; T515-D518 WeakPolarHBondContact O-CB 3.47Å; T515-D518 PolarHBondContact O-N 3.37Å; T515-D518 VanDerWaalsContact O-N 3.07Å; T515-D518 PolarHBondContact OG1-OD2 2.92Å; T515-D518 VanDerWaalsContact OG1-OD2 3.05Å; T515-V572 WeakPolarHBondContact O-CB 3.33Å; T515-G574 CarbonylContact C-O 3.56Å; T515-G574 VanDerWaalsContact C-O 3.31Å; T515-G574 VanDerWaalsContact CA-O 3.24Å; T515-G574 WeakPolarHBondContact CA-O 3.25Å; T515-I575 HydrophobicContact CG2-CG1 4.4Å
516S85.2Confident90.4Very high67 Ų6754.8 Ų54.847%0.46930%0.302SS..THydrogen-bonded Turntrans-46.2127.5176.7-85.70000112.9V572 E573 G574S516-V572 CarbonylContact C-O 3.57Å; S516-V572 VanDerWaalsContact CA-O 3.3Å; S516-V572 WeakPolarHBondContact CA-O 3.48Å; S516-E573 WeakPolarHBondContact CB-OE2 3.49Å; S516-E573 WeakPolarHBondContact OG-CA 3.4Å; S516-E573 PolarHBondContact OG-OE2 3.32Å; S516-G574 PolarHBondContact N-O 2.93Å; S516-G574 PolarHBondContact OG-N 3.38Å
517G76.2Confident90.8Very high47 Ų4752.9 Ų52.949%0.48529%0.293SS..THydrogen-bonded Turntrans91.1-9.4178.200000115T515 V572T515-G517 PolarHBondContact O-N 2.72Å; G517-V572 PolarHBondContact N-O 2.9Å
518D87.7Confident91.4Very high42 Ų4245.9 Ų45.923%0.22526%0.256CS..  trans-71.1130.5176.3-72-33.9000111.3M506 V514 T515 K571 V572M506-D518 HydrophobicContact SD-CB 3.75Å; V514-D518 HydrophobicContact CB-CB 4.16Å; V514-D518 HydrophobicContact CG1-CB 4.34Å; T515-D518 PolarHBondContact N-OD2 3.32Å; T515-D518 VanDerWaalsContact O-CB 3.3Å; T515-D518 WeakPolarHBondContact O-CB 3.47Å; T515-D518 PolarHBondContact O-N 3.37Å; T515-D518 VanDerWaalsContact O-N 3.07Å; T515-D518 PolarHBondContact OG1-OD2 2.92Å; T515-D518 VanDerWaalsContact OG1-OD2 3.05Å; D518-K571 WeakPolarHBondContact O-CA 3.37Å; D518-V572 PolarHBondContact O-N 3.45Å; D518-V572 VanDerWaalsContact O-N 3.1Å
519D87.3Confident92Very high96 Ų9643.9 Ų43.951%0.51324%0.235SC..EExtended strand (participates in β ladder)trans-89.9114.4167.3-78.3-69.4000109M506 G570 K571M506-D519 WeakPolarHBondContact CG-O 3.29Å; D519-G570 WeakPolarHBondContact CA-O 3.35Å; D519-K571 WeakPolarHBondContact OD1-CE 3.28Å; D519-K571 WeakPolarHBondContact OD1-CG 3.19Å; D519-K571 WeakPolarHBondContact OD2-CE 3.3Å; D519-K571 IonicContact OD2-NZ 2.91Å
520C92.2Very high92.4Very high7 Ų736.9 Ų36.95%0.04721%0.205CC..EExtended strand (participates in β ladder)trans-142.3171.8-176.270.90000113.5I504 R505 M506 V514 F554 S569 G570I504-C520 HydrophobicContact CG2-CB 4.17Å; R505-C520 WeakPolarHBondContact O-CA 3.3Å; R505-C520 WeakPolarHBondContact O-CB 3.19Å; M506-C520 HydrophobicContact CB-CB 4.17Å; V514-C520 HydrophobicContact CG1-CB 4.07Å; C520-F554 VanDerWaalsContact SG-CE2 3.53Å; C520-S569 WeakPolarHBondContact O-CA 3.11Å; C520-G570 PolarHBondContact N-O 2.94Å; C520-G570 PolarHBondContact O-N 3.5Å
521V94Very high92.6Very high9 Ų935.2 Ų35.26%0.05520%0.198CC..EExtended strand (participates in β ladder)trans-111125.4170.1-179.10000109.5L456 F458 I504 R505 L567 H568L456-V521 HydrophobicContact CD2-CG2 3.52Å; F458-V521 HydrophobicContact CE2-CB 4.43Å; F458-V521 HydrophobicContact CE2-CG1 4.02Å; F458-V521 HydrophobicContact CE2-CG2 4.48Å; F458-V521 HydrophobicContact CZ-CG1 4.21Å; I504-V521 WeakPolarHBondContact CA-O 3.46Å; R505-V521 HydrophobicContact CB-CB 4.4Å; R505-V521 PolarHBondContact N-O 3.26Å; R505-V521 PolarHBondContact O-N 3.12Å; V521-L567 HydrophobicContact CG1-CB 3.85Å; V521-L567 HydrophobicContact CG1-CD2 4.33Å; V521-H568 CarbonylContact C-O 3.53Å; V521-H568 VanDerWaalsContact CA-O 3.29Å; V521-H568 WeakPolarHBondContact CA-O 3.22Å
522L95.7Very high92.5Very high0 Ų036.9 Ų36.90%021%0.205CC..EExtended strand (participates in β ladder)trans-99.5133.8171.6-57.5-172.7000111.1V501 I504 M543 F554 H568 L582V501-L522 HydrophobicContact CG1-CD2 4.39Å; I504-L522 HydrophobicContact CB-CD2 4.25Å; I504-L522 HydrophobicContact CD1-CD2 4.28Å; I504-L522 HydrophobicContact CG1-CD2 3.73Å; I504-L522 HydrophobicContact CG2-CD2 3.93Å; L522-M543 HydrophobicContact CD1-SD 4.44Å; L522-F554 HydrophobicContact CB-CE1 4.23Å; L522-F554 HydrophobicContact CB-CZ 4.48Å; L522-F554 HydrophobicContact CD1-CB 4Å; L522-F554 HydrophobicContact CD1-CD1 3.41Å; L522-F554 VanDerWaalsContact CD1-CD1 3.41Å; L522-F554 HydrophobicContact CD1-CD2 3.88Å; L522-F554 HydrophobicContact CD1-CE1 3.71Å; L522-F554 HydrophobicContact CD1-CE2 4.15Å; L522-F554 HydrophobicContact CD1-CG 3.48Å; L522-F554 VanDerWaalsContact CD1-CG 3.48Å; L522-F554 HydrophobicContact CD1-CZ 4.06Å; L522-F554 HydrophobicContact CG-CD1 4Å; L522-F554 HydrophobicContact CG-CD2 4.24Å; L522-F554 HydrophobicContact CG-CE1 3.73Å; L522-F554 HydrophobicContact CG-CE2 4.01Å; L522-F554 HydrophobicContact CG-CG 4.23Å; L522-F554 HydrophobicContact CG-CZ 3.72Å; L522-H568 HydrophobicContact CB-CB 4.41Å; L522-H568 PolarHBondContact N-O 3.02Å; L522-H568 PolarHBondContact O-N 3.47Å; L522-H568 PolarHBondContact O-ND1 2.94Å; L522-L582 HydrophobicContact CD1-CD1 4.11Å
523I95.5Very high92.2Very high1 Ų136 Ų361%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-110.9128.4168-63169.1000107.8F458 L466 I471 L502 A503 Y565 L567F458-I523 HydrophobicContact CE1-CD1 3.94Å; F458-I523 HydrophobicContact CZ-CD1 4.09Å; L466-I523 HydrophobicContact CD1-CD1 3.77Å; L466-I523 HydrophobicContact CD2-CD1 3.73Å; L466-I523 HydrophobicContact CG-CD1 4.39Å; I471-I523 HydrophobicContact CG2-CG2 4.43Å; L502-I523 PolarHBondContact N-O 3.27Å; A503-I523 HydrophobicContact CB-CB 4.29Å; A503-I523 HydrophobicContact CB-CD1 4.38Å; A503-I523 PolarHBondContact N-O 3.24Å; A503-I523 PolarHBondContact O-N 3.45Å; I523-Y565 HydrophobicContact CG2-CD1 4.11Å; I523-L567 HydrophobicContact CD1-CD2 4.02Å; I523-L567 HydrophobicContact CG1-CD2 3.94Å
524C96.8Very high91.7Very high0 Ų033.2 Ų33.20%020%0.199CC..EExtended strand (participates in β ladder)trans-120.2159.4-175.2-610000111T474 C499 R500 R526T474-C524 WeakPolarHBondContact CB-O 3.31Å; T474-C524 WeakPolarHBondContact CG2-O 3.33Å; T474-C524 PolarHBondContact OG1-O 3.37Å; C499-C524 HydrophobicContact CB-CB 3.92Å; C499-C524 VanDerWaalsContact SG-SG 3.66Å; R500-C524 WeakPolarHBondContact O-CA 3.14Å; C524-R526 VanDerWaalsContact C-N 3.34Å
525D96.7Very high91.5Very high37 Ų3734.4 Ų34.420%0.19821%0.211CC..SBendtrans-66.5-35.1176.472.8-41.2000112.7D475 C499 R500 L502D475-D525 PolarHBondContact N-O 3.49Å; C499-D525 WeakPolarHBondContact CA-OD1 3.39Å; R500-D525 PolarHBondContact N-OD1 2.9Å; R500-D525 PolarHBondContact O-N 3.45Å; R500-D525 VanDerWaalsContact O-N 3.1Å; L502-D525 HydrophobicContact CD1-CB 3.99Å; L502-D525 HydrophobicContact CD2-CB 4.24Å; L502-D525 HydrophobicContact CG-CB 4.19Å
526R97.1Very high91.6Very high86 Ų8631.5 Ų31.533%0.32519%0.193SC..BIsolated β-bridgetrans-146.3159178.270.4-168.273.9-158.8-5.4111.8D475 V498 C499 C524 Q584D475-R526 HydrophobicContact CB-CB 4.02Å; D475-R526 CarbonylContact O-C 3.59Å; D475-R526 WeakPolarHBondContact O-CA 3.5Å; D475-R526 WeakPolarHBondContact O-CB 3.24Å; V498-R526 WeakPolarHBondContact O-CD 3.36Å; C499-R526 HydrophobicContact CB-CG 4.04Å; C499-R526 WeakPolarHBondContact CB-O 3.39Å; C524-R526 VanDerWaalsContact C-N 3.34Å; R526-Q584 PolarHBondContact O-NE2 2.87Å
527T97.1Very high91.7Very high0 Ų029.4 Ų29.40%018%0.177CC..  trans-156.8140.5178.7-168.40000115T474 D475 D476 W478 F529 V566 H568 Q584T474-T527 HydrophobicContact CG2-CG2 3.78Å; D475-T527 PolarHBondContact O-N 3.42Å; D476-T527 HydrophobicContact CB-CG2 4.16Å; W478-T527 WeakPolarHBondContact CB-O 3.32Å; T527-F529 PolarHBondContact OG1-N 2.82Å; T527-V566 HydrophobicContact CG2-CB 4.04Å; T527-V566 HydrophobicContact CG2-CG1 3.94Å; T527-V566 HydrophobicContact CG2-CG2 4.07Å; T527-H568 WeakPolarHBondContact CB-NE2 3.47Å; T527-H568 PolarHBondContact OG1-NE2 2.86Å; T527-Q584 PolarHBondContact OG1-NE2 3.45Å; T527-Q584 PolarHBondContact OG1-OE1 3.28Å; T527-Q584 VanDerWaalsContact OG1-OE1 3.1Å
528S95.2Very high92.4Very high3 Ų329.7 Ų29.72%0.02116%0.164CC..SBendtrans-86.3-13.3168.7-76.60000113.2K479 C497 R601K479-S528 WeakPolarHBondContact CA-O 3.49Å; K479-S528 WeakPolarHBondContact CB-O 3.4Å; C497-S528 WeakPolarHBondContact CB-OG 3.12Å; S528-R601 PolarHBondContact O-NH2 2.76Å
529F95.1Very high92.6Very high0 Ų027.7 Ų27.70%015%0.153CC..SBendtrans-70.3134.1177.1-72.2-97.1000110.8T527 D539 E540 M543 V556 V559 Q584 V586T527-F529 PolarHBondContact OG1-N 2.82Å; F529-D539 HydrophobicContact CD1-CB 3.9Å; F529-E540 WeakPolarHBondContact CE1-O 3.38Å; F529-M543 HydrophobicContact CD2-CE 3.83Å; F529-M543 HydrophobicContact CE2-CE 3.7Å; F529-M543 HydrophobicContact CE2-CG 4.09Å; F529-V556 HydrophobicContact CD1-CB 4.43Å; F529-V556 HydrophobicContact CD1-CG1 4.04Å; F529-V556 HydrophobicContact CE1-CB 3.79Å; F529-V556 HydrophobicContact CE1-CG1 3.9Å; F529-V556 HydrophobicContact CE1-CG2 3.95Å; F529-V556 HydrophobicContact CE2-CG2 4.28Å; F529-V556 HydrophobicContact CZ-CB 4.11Å; F529-V556 HydrophobicContact CZ-CG2 3.76Å; F529-V559 HydrophobicContact CB-CG1 4.25Å; F529-V559 HydrophobicContact CB-CG2 4.05Å; F529-V559 HydrophobicContact CD1-CG2 4.07Å; F529-V559 HydrophobicContact CG-CG2 4.34Å; F529-Q584 HydrophobicContact CD2-CB 4.43Å; F529-Q584 HydrophobicContact CD2-CG 4.43Å; F529-Q584 HydrophobicContact CE2-CB 3.87Å; F529-Q584 HydrophobicContact CE2-CG 4.04Å; F529-V586 HydrophobicContact CD1-CG1 4.45Å; F529-V586 HydrophobicContact CD1-CG2 4.12Å; F529-V586 HydrophobicContact CD2-CG2 3.98Å; F529-V586 HydrophobicContact CE1-CG2 4.17Å; F529-V586 HydrophobicContact CE2-CG2 4.04Å; F529-V586 HydrophobicContact CG-CG2 4.01Å; F529-V586 HydrophobicContact CZ-CG2 4.13Å
530Y95.2Very high92.5Very high4 Ų426.5 Ų26.52%0.01614%0.144CC..PPolyproline II helixtrans-80.4122.2170.9-167.6-91.5000109.3K479 N533 Q536 Y538 D539 G725 T727K479-Y530 HydrophobicContact CD-CD2 3.87Å; K479-Y530 HydrophobicContact CD-CE2 4.42Å; Y530-N533 PolarHBondContact OH-O 2.93Å; Y530-N533 VanDerWaalsContact OH-O 3.14Å; Y530-Q536 HydrophobicContact CD1-CB 4.39Å; Y530-Q536 HydrophobicContact CD1-CG 3.72Å; Y530-Q536 HydrophobicContact CE1-CB 3.62Å; Y530-Q536 HydrophobicContact CE1-CG 3.45Å; Y530-Q536 VanDerWaalsContact CE1-CG 3.45Å; Y530-Y538 VanDerWaalsContact O-CA 3.3Å; Y530-Y538 WeakPolarHBondContact O-CA 3.44Å; Y530-D539 WeakPolarHBondContact CA-OD2 3.47Å; Y530-D539 WeakPolarHBondContact CB-OD2 3.5Å; Y530-D539 PolarHBondContact N-OD2 3.41Å; Y530-D539 PolarHBondContact O-N 3.26Å; Y530-G725 VanDerWaalsContact CE2-O 3.25Å; Y530-G725 WeakPolarHBondContact CE2-O 3.36Å; Y530-G725 PolarHBondContact OH-O 2.99Å; Y530-T727 HydrophobicContact CD2-CG2 3.94Å
531A94.3Very high92.2Very high4 Ų426.4 Ų26.43%0.03315%0.145CC..PPolyproline II helixtrans-79.7138.2167.900000110.3N533 V559 A561 V566A531-N533 PolarHBondContact O-N 3.36Å; A531-N533 VanDerWaalsContact O-N 3.08Å; A531-V559 WeakPolarHBondContact CA-O 3.48Å; A531-V559 HydrophobicContact CB-CG1 3.91Å; A531-A561 HydrophobicContact CB-CB 3.73Å; A531-V566 HydrophobicContact CB-CG1 4.24Å
532E90.3Very high91.9Very high81 Ų8129.2 Ų29.238%0.37916%0.156SC..SBendtrans-51.6117.4178.4179.9172-166.100111.3Q536 Y538 V559 Q560E532-Q536 WeakPolarHBondContact CA-O 3.5Å; E532-Y538 HydrophobicContact CB-CD1 4.11Å; E532-V559 PolarHBondContact N-O 3.42Å; E532-Q560 PolarHBondContact OE2-NE2 3.37Å
533N88.1Confident91.7Very high107 Ų10729.2 Ų29.257%0.57216%0.156SC*.BIsolated β-bridgetrans-166.5158.5-177.7-154.6-11.4000111Y530 A531 G535 Q536Y530-N533 PolarHBondContact OH-O 2.93Å; Y530-N533 VanDerWaalsContact OH-O 3.14Å; A531-N533 PolarHBondContact O-N 3.36Å; A531-N533 VanDerWaalsContact O-N 3.08Å; N533-G535 PolarHBondContact O-N 2.85Å; N533-G535 VanDerWaalsContact O-N 3.07Å; N533-Q536 PolarHBondContact N-O 3.43Å; N533-Q536 VanDerWaalsContact N-O 3.07Å; N533-Q536 PolarHBondContact O-N 3.42Å
534G84Confident91.4Very high46 Ų4632.6 Ų32.647%0.47417%0.172SC..THydrogen-bonded Turntrans57.227.1173.600000114.8Q536G534-Q536 VanDerWaalsContact C-N 3.26Å; G534-Q536 PolarHBondContact O-N 3.16Å
535G86.4Confident90.9Very high24 Ų2434.4 Ų34.425%0.24718%0.18CC..THydrogen-bonded Turntrans82.2-13.8-173.800000115N533 L631 V632N533-G535 PolarHBondContact O-N 2.85Å; N533-G535 VanDerWaalsContact O-N 3.07Å; G535-L631 CarbonylContact O-C 3.52Å; G535-L631 VanDerWaalsContact O-CA 3.31Å; G535-L631 WeakPolarHBondContact O-CA 3.27Å; G535-V632 PolarHBondContact O-N 2.95Å
536Q93.4Very high89.3Confident0 Ų036 Ų360%021%0.206CC..BIsolated β-bridgetrans-81.1130.3173.6172.9174.1-25.500111.1Y530 E532 N533 G534 V604 H608 V632 T727Y530-Q536 HydrophobicContact CD1-CB 4.39Å; Y530-Q536 HydrophobicContact CD1-CG 3.72Å; Y530-Q536 HydrophobicContact CE1-CB 3.62Å; Y530-Q536 HydrophobicContact CE1-CG 3.45Å; Y530-Q536 VanDerWaalsContact CE1-CG 3.45Å; E532-Q536 WeakPolarHBondContact CA-O 3.5Å; N533-Q536 PolarHBondContact N-O 3.43Å; N533-Q536 VanDerWaalsContact N-O 3.07Å; N533-Q536 PolarHBondContact O-N 3.42Å; G534-Q536 VanDerWaalsContact C-N 3.26Å; G534-Q536 PolarHBondContact O-N 3.16Å; Q536-V604 HydrophobicContact CG-CG1 3.55Å; Q536-H608 PolarHBondContact OE1-CE1 2.96Å; Q536-H608 PolarHBondContact OE1-ND1 3.29Å; Q536-V632 HydrophobicContact CB-CB 4.41Å; Q536-T727 PolarHBondContact NE2-OG1 2.89Å; Q536-T727 VanDerWaalsContact OE1-N 3.09Å; Q536-T727 PolarHBondContact OE1-OG1 2.82Å; Q536-T727 VanDerWaalsContact OE1-OG1 3.11Å
537I87.1Confident87.6Confident23 Ų2337.7 Ų37.712%0.11822%0.221CC..PPolyproline II helixtrans-70.6157.8174.971.3170.1000111.5R600 V604 L631 V632 A633 P634I537-R600 VanDerWaalsContact CD1-NH2 3.34Å; I537-V604 HydrophobicContact CG1-CG2 4.37Å; I537-L631 HydrophobicContact CG2-CD1 3.64Å; I537-V632 PolarHBondContact N-O 3.11Å; I537-A633 HydrophobicContact CD1-CB 4.14Å; I537-P634 HydrophobicContact CD1-CG 4.46Å
538Y91.4Very high85.1Confident54 Ų5442.9 Ų42.921%0.21226%0.264CS..PPolyproline II helixtrans-60.1160.3175.955.8-98.1000113.2Y530 E532 E540 T557 N558 V559 R600Y530-Y538 VanDerWaalsContact O-CA 3.3Å; Y530-Y538 WeakPolarHBondContact O-CA 3.44Å; E532-Y538 HydrophobicContact CB-CD1 4.11Å; Y538-E540 HydrophobicContact CD2-CG 4.32Å; Y538-E540 HydrophobicContact CE2-CG 4.07Å; Y538-T557 WeakPolarHBondContact CE2-O 3.44Å; Y538-N558 WeakPolarHBondContact CE1-ND2 3.37Å; Y538-N558 HydrophobicContact CE2-CB 4.41Å; Y538-V559 VanDerWaalsContact CB-O 3.22Å; Y538-V559 WeakPolarHBondContact CB-O 3.37Å; Y538-R600 VanDerWaalsContact O-CZ 3.24Å; Y538-R600 PolarHBondContact O-NH1 3.14Å; Y538-R600 PolarHBondContact O-NH2 2.9Å
539D92.5Very high82.9Confident0 Ų051.8 Ų51.80%031%0.305CS..PPolyproline II helixtrans-87.3162.2168.7-64.1-46.7000113.9F529 Y530 V559 V586 R601F529-D539 HydrophobicContact CD1-CB 3.9Å; Y530-D539 WeakPolarHBondContact CA-OD2 3.47Å; Y530-D539 WeakPolarHBondContact CB-OD2 3.5Å; Y530-D539 PolarHBondContact N-OD2 3.41Å; Y530-D539 PolarHBondContact O-N 3.26Å; D539-V559 WeakPolarHBondContact O-CG2 3.49Å; D539-V586 HydrophobicContact CB-CG1 3.73Å; D539-R601 IonicContact OD1-CZ 3.12Å; D539-R601 IonicContact OD1-NE 3.15Å; D539-R601 PolarHBondContact OD1-NE 3.37Å; D539-R601 IonicContact OD1-NH2 3.51Å; D539-R601 IonicContact OD2-CZ 3.88Å; D539-R601 IonicContact OD2-NE 2.96Å; D539-R601 PolarHBondContact OD2-NE 3.37Å; D539-R601 IonicContact OD2-NH2 3.65Å; D539-R601 PolarHBondContact OD2-NH2 3.32Å
540E84.3Confident80.9Confident71 Ų7155.6 Ų55.633%0.33233%0.328SS..  trans-121.5170.3172.6-69.4160.8-143.600109.1F529 Y538 V556 D587 R600F529-E540 WeakPolarHBondContact CE1-O 3.38Å; Y538-E540 HydrophobicContact CD2-CG 4.32Å; Y538-E540 HydrophobicContact CE2-CG 4.07Å; E540-V556 WeakPolarHBondContact CA-O 3.49Å; E540-D587 PolarHBondContact N-OD1 2.95Å; E540-D587 PolarHBondContact O-N 3.34Å; E540-R600 IonicContact OE1-CZ 3.52Å; E540-R600 VanDerWaalsContact OE1-CZ 3.29Å; E540-R600 IonicContact OE1-NE 3.35Å; E540-R600 PolarHBondContact OE1-NE 3.07Å; E540-R600 VanDerWaalsContact OE1-NE 3.11Å; E540-R600 IonicContact OE1-NH2 2.81Å; E540-R600 PolarHBondContact OE1-NH2 2.92Å; E540-R600 IonicContact OE2-NE 3.7Å
541G85.8Confident79.7Confident5 Ų564.1 Ų64.15%0.05237%0.368CS..EExtended strand (participates in β ladder)trans145.7-153.3179.400000112.8V556 R585G541-V556 PolarHBondContact N-O 3.11Å; G541-V556 PolarHBondContact O-N 2.85Å; G541-R585 VanDerWaalsContact CA-O 3.31Å; G541-R585 WeakPolarHBondContact CA-O 3.49Å
542F88.1Confident79.1Confident68 Ų6864.2 Ų64.230%0.29837%0.369SS..EExtended strand (participates in β ladder)trans-133.9153.4-171.7-51.5-87.5000112.1E553 F554 C555 R585F542-E553 HydrophobicContact CB-CG 4.05Å; F542-E553 VanDerWaalsContact CD1-CD 3.42Å; F542-E553 HydrophobicContact CD1-CG 3.94Å; F542-E553 VanDerWaalsContact CD1-OE1 3.3Å; F542-E553 WeakPolarHBondContact CD1-OE1 3.32Å; F542-E553 HydrophobicContact CG-CG 4.39Å; F542-F554 CarbonylContact C-O 3.55Å; F542-F554 VanDerWaalsContact CA-O 3.27Å; F542-F554 WeakPolarHBondContact CA-O 3.3Å; F542-C555 HydrophobicContact CD1-CB 3.97Å; F542-C555 HydrophobicContact CE1-CB 3.94Å; F542-R585 HydrophobicContact CB-CB 4.34Å; F542-R585 PolarHBondContact N-O 2.88Å; F542-R585 PolarHBondContact O-N 2.92Å
543M92.2Very high78.9Confident0 Ų063.7 Ų63.70%037%0.367CS..EExtended strand (participates in β ladder)trans-122.5117.4166.6-50.2-172.8177.500109.3L522 F529 E553 F554 V556 H568 L582 T583 Q584L522-M543 HydrophobicContact CD1-SD 4.44Å; F529-M543 HydrophobicContact CD2-CE 3.83Å; F529-M543 HydrophobicContact CE2-CE 3.7Å; F529-M543 HydrophobicContact CE2-CG 4.09Å; M543-E553 CarbonylContact O-C 3.51Å; M543-E553 WeakPolarHBondContact O-CA 3.36Å; M543-F554 HydrophobicContact CB-CB 4.19Å; M543-F554 HydrophobicContact CG-CD1 4.42Å; M543-F554 PolarHBondContact N-O 3.29Å; M543-F554 PolarHBondContact O-N 3.03Å; M543-F554 HydrophobicContact SD-CD1 4.31Å; M543-V556 HydrophobicContact CE-CG2 3.9Å; M543-V556 HydrophobicContact CG-CG2 4Å; M543-H568 HydrophobicContact CE-CB 3.87Å; M543-H568 WeakPolarHBondContact CE-CD2 3.47Å; M543-H568 VanDerWaalsContact CE-CG 3.41Å; M543-L582 HydrophobicContact CB-CB 3.86Å; M543-L582 HydrophobicContact CB-CD1 3.86Å; M543-L582 HydrophobicContact CB-CG 4.46Å; M543-L582 HydrophobicContact SD-CD1 4.24Å; M543-T583 CarbonylContact C-O 3.51Å; M543-T583 WeakPolarHBondContact CA-O 3.47Å; M543-Q584 HydrophobicContact CG-CG 4.24Å
544E89Confident79Confident72 Ų7258.6 Ų58.634%0.33634%0.339SS..EExtended strand (participates in β ladder)trans-105.3129.6-170.7-63.8170.4163.900111.4G546 L582 T583 R585E544-G546 PolarHBondContact O-N 3.14Å; E544-L582 CarbonylContact O-C 3.47Å; E544-L582 VanDerWaalsContact O-CA 3.31Å; E544-L582 WeakPolarHBondContact O-CA 3.33Å; E544-T583 PolarHBondContact N-O 2.8Å; E544-T583 PolarHBondContact O-N 3.01Å; E544-R585 HydrophobicContact CG-CG 4.35Å; E544-R585 IonicContact OE2-NE 3.42Å; E544-R585 PolarHBondContact OE2-NE 3.47Å
545K86.5Confident79Confident37 Ų3758.3 Ų58.316%0.16133%0.33CS..EExtended strand (participates in β ladder)trans-86100.7171.3-170.2176.9177.5171.40109.7D547 A552 D580 L582K545-D547 PolarHBondContact O-N 2.71Å; K545-A552 HydrophobicContact CB-CB 4.04Å; K545-A552 HydrophobicContact CD-CB 4.3Å; K545-A552 PolarHBondContact N-O 3.46Å; K545-D580 HydrophobicContact CD-CB 4.46Å; K545-D580 VanDerWaalsContact CE-CG 3.48Å; K545-D580 WeakPolarHBondContact CE-OD1 3.36Å; K545-D580 WeakPolarHBondContact CE-OD2 3.48Å; K545-D580 IonicContact NZ-OD1 2.64Å; K545-D580 PolarHBondContact NZ-OD1 3.37Å; K545-D580 IonicContact NZ-OD2 2.73Å; K545-D580 PolarHBondContact NZ-OD2 3.3Å; K545-L582 HydrophobicContact CB-CD2 3.62Å; K545-L582 HydrophobicContact CG-CD2 4.18Å
546G62.8Low79.1Confident72 Ų7257.2 Ų57.274%0.74232%0.318SS*.  trans-89.278178.600000112.4E544E544-G546 PolarHBondContact O-N 3.14Å
547D60.7Low78.7Confident120 Ų12060.7 Ų60.764%0.64234%0.339SS*.  trans-131.6139.2169.6-129.3-15000110.4K545 Q549 V550K545-D547 PolarHBondContact O-N 2.71Å; D547-Q549 PolarHBondContact O-N 3.28Å; D547-V550 PolarHBondContact O-N 3.17Å
548A45.6Very low78.7Confident110 Ų11061.2 Ų61.291%0.90934%0.343SS*.THydrogen-bonded Turntrans-65.9-2.5-163.800000116.4
549Q48.1Very low78.8Confident190 Ų19058.7 Ų58.789%0.88833%0.333SS*.THydrogen-bonded Turntrans-113.2-23.5-175.2-69.3-164.7-6.200114.9D547D547-Q549 PolarHBondContact O-N 3.28Å
550V54.2Low78.7Confident80 Ų8060.9 Ų60.949%0.48534%0.343SS..  trans-151.9111.6179.9-173.90000109.7D547D547-V550 PolarHBondContact O-N 3.17Å
551E68.5Low78.8Confident182 Ų18259.3 Ų59.385%0.8534%0.342SS*.  trans-75.8132.5170.4-70.2180168.300109.8
552A81.8Confident78.7Confident7 Ų766 Ų666%0.05837%0.366CS..EExtended strand (participates in β ladder)trans-142.1145.5171.500000109.9K545 E573 I576K545-A552 HydrophobicContact CB-CB 4.04Å; K545-A552 HydrophobicContact CD-CB 4.3Å; K545-A552 PolarHBondContact N-O 3.46Å; A552-E573 CarbonylContact C-O 3.33Å; A552-E573 WeakPolarHBondContact CA-O 3.39Å; A552-E573 WeakPolarHBondContact CB-O 3.49Å; A552-I576 HydrophobicContact CB-CG1 4.11Å
553E85.6Confident78.2Confident69 Ų6965.5 Ų65.532%0.32238%0.375SS..EExtended strand (participates in β ladder)trans-132.3140.3-178.3-172.7-176.783.500109.9F542 M543 E573F542-E553 HydrophobicContact CB-CG 4.05Å; F542-E553 VanDerWaalsContact CD1-CD 3.42Å; F542-E553 HydrophobicContact CD1-CG 3.94Å; F542-E553 VanDerWaalsContact CD1-OE1 3.3Å; F542-E553 WeakPolarHBondContact CD1-OE1 3.32Å; F542-E553 HydrophobicContact CG-CG 4.39Å; M543-E553 CarbonylContact O-C 3.51Å; M543-E553 WeakPolarHBondContact O-CA 3.36Å; E553-E573 PolarHBondContact N-O 3.31Å; E553-E573 PolarHBondContact O-N 2.86Å
554F90.9Very high77.9Confident0 Ų067.6 Ų67.60%040%0.397CS..EExtended strand (participates in β ladder)trans-114.4113168.6-175.6-113.6000110.1C520 L522 F542 M543 V556 H568 G570 K571 V572 I576C520-F554 VanDerWaalsContact SG-CE2 3.53Å; L522-F554 HydrophobicContact CB-CE1 4.23Å; L522-F554 HydrophobicContact CB-CZ 4.48Å; L522-F554 HydrophobicContact CD1-CB 4Å; L522-F554 HydrophobicContact CD1-CD1 3.41Å; L522-F554 VanDerWaalsContact CD1-CD1 3.41Å; L522-F554 HydrophobicContact CD1-CD2 3.88Å; L522-F554 HydrophobicContact CD1-CE1 3.71Å; L522-F554 HydrophobicContact CD1-CE2 4.15Å; L522-F554 HydrophobicContact CD1-CG 3.48Å; L522-F554 VanDerWaalsContact CD1-CG 3.48Å; L522-F554 HydrophobicContact CD1-CZ 4.06Å; L522-F554 HydrophobicContact CG-CD1 4Å; L522-F554 HydrophobicContact CG-CD2 4.24Å; L522-F554 HydrophobicContact CG-CE1 3.73Å; L522-F554 HydrophobicContact CG-CE2 4.01Å; L522-F554 HydrophobicContact CG-CG 4.23Å; L522-F554 HydrophobicContact CG-CZ 3.72Å; F542-F554 CarbonylContact C-O 3.55Å; F542-F554 VanDerWaalsContact CA-O 3.27Å; F542-F554 WeakPolarHBondContact CA-O 3.3Å; M543-F554 HydrophobicContact CB-CB 4.19Å; M543-F554 HydrophobicContact CG-CD1 4.42Å; M543-F554 PolarHBondContact N-O 3.29Å; M543-F554 PolarHBondContact O-N 3.03Å; M543-F554 HydrophobicContact SD-CD1 4.31Å; F554-V556 HydrophobicContact CD1-CG2 3.66Å; F554-V556 HydrophobicContact CE1-CG2 3.89Å; F554-V556 PolarHBondContact O-N 3.2Å; F554-H568 HydrophobicContact CE1-CB 4.03Å; F554-H568 WeakPolarHBondContact CE1-O 3.08Å; F554-H568 WeakPolarHBondContact CZ-O 3.19Å; F554-G570 WeakPolarHBondContact CE2-O 3.37Å; F554-G570 VanDerWaalsContact CZ-N 3.35Å; F554-K571 CarbonylContact C-O 3.32Å; F554-K571 WeakPolarHBondContact CA-O 3.19Å; F554-K571 WeakPolarHBondContact CD2-O 3.14Å; F554-V572 HydrophobicContact CD2-CG2 3.68Å; F554-V572 HydrophobicContact CE2-CG2 4.01Å; F554-I576 HydrophobicContact CB-CD1 3.64Å; F554-I576 HydrophobicContact CG-CD1 4.44Å
555C84.6Confident77.9Confident40 Ų4064.4 Ų64.427%0.2738%0.381SS..EExtended strand (participates in β ladder)trans-82105.4176.2-177.80000110F542 G570 K571F542-C555 HydrophobicContact CD1-CB 3.97Å; F542-C555 HydrophobicContact CE1-CB 3.94Å; C555-G570 CarbonylContact O-C 3.53Å; C555-G570 WeakPolarHBondContact O-CA 3.3Å; C555-K571 PolarHBondContact N-O 3.46Å; C555-K571 PolarHBondContact O-N 3.43Å
556V89.2Confident78.2Confident2 Ų262.9 Ų62.91%0.01238%0.375CS..EExtended strand (participates in β ladder)trans-79.7119179.6-175.70000109.3F529 E540 G541 M543 F554 V559 H568F529-V556 HydrophobicContact CD1-CB 4.43Å; F529-V556 HydrophobicContact CD1-CG1 4.04Å; F529-V556 HydrophobicContact CE1-CB 3.79Å; F529-V556 HydrophobicContact CE1-CG1 3.9Å; F529-V556 HydrophobicContact CE1-CG2 3.95Å; F529-V556 HydrophobicContact CE2-CG2 4.28Å; F529-V556 HydrophobicContact CZ-CB 4.11Å; F529-V556 HydrophobicContact CZ-CG2 3.76Å; E540-V556 WeakPolarHBondContact CA-O 3.49Å; G541-V556 PolarHBondContact N-O 3.11Å; G541-V556 PolarHBondContact O-N 2.85Å; M543-V556 HydrophobicContact CE-CG2 3.9Å; M543-V556 HydrophobicContact CG-CG2 4Å; F554-V556 HydrophobicContact CD1-CG2 3.66Å; F554-V556 HydrophobicContact CE1-CG2 3.89Å; F554-V556 PolarHBondContact O-N 3.2Å; V556-V559 HydrophobicContact CG1-CG2 3.44Å; V556-V559 VanDerWaalsContact CG1-CG2 3.44Å; V556-H568 HydrophobicContact CG1-CB 4.33Å; V556-H568 HydrophobicContact CG2-CB 4.5Å
557T83.7Confident79.7Confident72 Ų7259.8 Ų59.844%0.44234%0.341SS..EExtended strand (participates in β ladder)trans-113.2-14.9-178.458.50000113.4Y538 S569Y538-T557 WeakPolarHBondContact CE2-O 3.44Å; T557-S569 PolarHBondContact N-O 3.32Å; T557-S569 PolarHBondContact OG1-O 3.48Å
558N86.6Confident81.3Confident35 Ų3554 Ų5419%0.18731%0.311CS..EExtended strand (participates in β ladder)trans-155.7144.7175-163.5-61.3000110.7Y538 Q560 S569Y538-N558 WeakPolarHBondContact CE1-ND2 3.37Å; Y538-N558 HydrophobicContact CE2-CB 4.41Å; N558-Q560 WeakPolarHBondContact OD1-CG 3.5Å; N558-Q560 PolarHBondContact OD1-NE2 3.16Å; N558-S569 PolarHBondContact N-O 3.44Å; N558-S569 PolarHBondContact O-N 3.19Å
559V93.5Very high83.5Confident0 Ų049.3 Ų49.30%027%0.271CS..EExtended strand (participates in β ladder)trans-133.7124177-170.20000110.5F529 A531 E532 Y538 D539 V556 V566 L567F529-V559 HydrophobicContact CB-CG1 4.25Å; F529-V559 HydrophobicContact CB-CG2 4.05Å; F529-V559 HydrophobicContact CD1-CG2 4.07Å; F529-V559 HydrophobicContact CG-CG2 4.34Å; A531-V559 WeakPolarHBondContact CA-O 3.48Å; A531-V559 HydrophobicContact CB-CG1 3.91Å; E532-V559 PolarHBondContact N-O 3.42Å; Y538-V559 VanDerWaalsContact CB-O 3.22Å; Y538-V559 WeakPolarHBondContact CB-O 3.37Å; D539-V559 WeakPolarHBondContact O-CG2 3.49Å; V556-V559 HydrophobicContact CG1-CG2 3.44Å; V556-V559 VanDerWaalsContact CG1-CG2 3.44Å; V559-V566 HydrophobicContact CG1-CG1 3.35Å; V559-L567 VanDerWaalsContact CA-O 3.3Å; V559-L567 WeakPolarHBondContact CA-O 3.4Å
560Q90.3Very high85.4Confident46 Ų4640.4 Ų40.422%0.21523%0.23CC..EExtended strand (participates in β ladder)trans-127.2153.3-179.1-62.4-66.9-44.500110.6E532 N558 V566 L567E532-Q560 PolarHBondContact OE2-NE2 3.37Å; N558-Q560 WeakPolarHBondContact OD1-CG 3.5Å; N558-Q560 PolarHBondContact OD1-NE2 3.16Å; Q560-V566 WeakPolarHBondContact O-CA 3.49Å; Q560-L567 HydrophobicContact CB-CB 4.43Å; Q560-L567 HydrophobicContact CB-CD1 4.46Å; Q560-L567 PolarHBondContact N-O 3.28Å; Q560-L567 PolarHBondContact O-N 2.71Å
561A87.2Confident86.7Confident39 Ų3941.6 Ų41.632%0.32223%0.229SC..EExtended strand (participates in β ladder)trans-114.6129.817500000110.8A531 Y565A531-A561 HydrophobicContact CB-CB 3.73Å; A561-Y565 WeakPolarHBondContact CA-O 3.32Å
562R83.7Confident87.7Confident144 Ų14433 Ų3354%0.54319%0.188SC..EExtended strand (participates in β ladder)trans-141.7121.1178.1-66.2-65.8176.5-179.8-3.9110.4G564 Y565 L567R562-G564 PolarHBondContact O-N 3.42Å; R562-G564 VanDerWaalsContact O-N 3.09Å; R562-Y565 PolarHBondContact N-O 3.34Å; R562-Y565 PolarHBondContact O-N 2.85Å; R562-L567 HydrophobicContact CB-CD1 4.31Å; R562-L567 HydrophobicContact CG-CD1 3.95Å
563A78.3Confident87.5Confident59 Ų5938 Ų3849%0.48821%0.211SC..THydrogen-bonded Turntrans48.736.1177.500000114.8L463L463-A563 HydrophobicContact CD1-CB 3.82Å; L463-A563 HydrophobicContact CD2-CB 4.02Å
564G84.3Confident87.5Confident44 Ų4435.6 Ų35.645%0.45421%0.205SC..THydrogen-bonded Turntrans89.1-6.5-178.800000115.5T473 T474 R562T473-G564 WeakPolarHBondContact CB-O 3.48Å; T474-G564 PolarHBondContact N-O 3.46Å; R562-G564 PolarHBondContact O-N 3.42Å; R562-G564 VanDerWaalsContact O-N 3.09Å
565Y90.4Very high87.4Confident5 Ų539 Ų392%0.0222%0.222CC..EExtended strand (participates in β ladder)trans-91.1137.9171.9-58.9-80000110.8L463 L466 N467 I471 P472 I523 A561 R562L463-Y565 HydrophobicContact CD2-CD2 3.92Å; L463-Y565 HydrophobicContact CD2-CE2 4.22Å; L466-Y565 HydrophobicContact CB-CE1 4.37Å; L466-Y565 HydrophobicContact CB-CE2 4.32Å; L466-Y565 HydrophobicContact CD1-CD1 4.07Å; L466-Y565 HydrophobicContact CD1-CD2 3.88Å; L466-Y565 HydrophobicContact CD1-CE1 4.06Å; L466-Y565 HydrophobicContact CD1-CE2 3.88Å; L466-Y565 HydrophobicContact CD1-CG 3.97Å; N467-Y565 PolarHBondContact OD1-OH 3.11Å; I471-Y565 HydrophobicContact CB-CE1 4.5Å; I471-Y565 HydrophobicContact CG2-CE1 4.08Å; I471-Y565 PolarHBondContact O-OH 3.49Å; P472-Y565 WeakPolarHBondContact O-CE1 2.84Å; I523-Y565 HydrophobicContact CG2-CD1 4.11Å; A561-Y565 WeakPolarHBondContact CA-O 3.32Å; R562-Y565 PolarHBondContact N-O 3.34Å; R562-Y565 PolarHBondContact O-N 2.85Å
566V92.7Very high87.8Confident4 Ų437.1 Ų37.12%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-100.9121.8169.4-177.30000109.5T474 D476 T527 A531 V559 Q560 H568T474-V566 HydrophobicContact CG2-CB 3.94Å; T474-V566 HydrophobicContact CG2-CG2 3.96Å; T474-V566 PolarHBondContact OG1-N 2.54Å; D476-V566 HydrophobicContact CB-CG2 3.97Å; T527-V566 HydrophobicContact CG2-CB 4.04Å; T527-V566 HydrophobicContact CG2-CG1 3.94Å; T527-V566 HydrophobicContact CG2-CG2 4.07Å; A531-V566 HydrophobicContact CB-CG1 4.24Å; V559-V566 HydrophobicContact CG1-CG1 3.35Å; Q560-V566 WeakPolarHBondContact O-CA 3.49Å; V566-H568 PolarHBondContact O-ND1 3.34Å
567L93.6Very high88.1Confident7 Ų738.9 Ų38.94%0.03722%0.22CC..EExtended strand (participates in β ladder)trans-101.4110.2-172.7-51.2179.3000109.1F458 V521 I523 V559 Q560 R562F458-L567 HydrophobicContact CB-CD1 4.13Å; F458-L567 HydrophobicContact CD1-CD1 4.4Å; F458-L567 HydrophobicContact CD1-CD2 4.06Å; F458-L567 HydrophobicContact CD2-CD1 3.41Å; F458-L567 VanDerWaalsContact CD2-CD1 3.41Å; F458-L567 HydrophobicContact CD2-CD2 4.07Å; F458-L567 HydrophobicContact CD2-CG 4.34Å; F458-L567 HydrophobicContact CE1-CD2 3.81Å; F458-L567 HydrophobicContact CE2-CD1 3.83Å; F458-L567 HydrophobicContact CE2-CD2 3.79Å; F458-L567 HydrophobicContact CE2-CG 4.34Å; F458-L567 HydrophobicContact CG-CD1 3.72Å; F458-L567 HydrophobicContact CG-CD2 4.19Å; F458-L567 HydrophobicContact CZ-CD2 3.66Å; V521-L567 HydrophobicContact CG1-CB 3.85Å; V521-L567 HydrophobicContact CG1-CD2 4.33Å; I523-L567 HydrophobicContact CD1-CD2 4.02Å; I523-L567 HydrophobicContact CG1-CD2 3.94Å; V559-L567 VanDerWaalsContact CA-O 3.3Å; V559-L567 WeakPolarHBondContact CA-O 3.4Å; Q560-L567 HydrophobicContact CB-CB 4.43Å; Q560-L567 HydrophobicContact CB-CD1 4.46Å; Q560-L567 PolarHBondContact N-O 3.28Å; Q560-L567 PolarHBondContact O-N 2.71Å; R562-L567 HydrophobicContact CB-CD1 4.31Å; R562-L567 HydrophobicContact CG-CD1 3.95Å
568H95.1Very high88.6Confident0 Ų038 Ų380%021%0.214CC..EExtended strand (participates in β ladder)trans-98.7105.9178.5-47.984.1000109V521 L522 T527 M543 F554 V556 V566V521-H568 CarbonylContact C-O 3.53Å; V521-H568 VanDerWaalsContact CA-O 3.29Å; V521-H568 WeakPolarHBondContact CA-O 3.22Å; L522-H568 HydrophobicContact CB-CB 4.41Å; L522-H568 PolarHBondContact N-O 3.02Å; L522-H568 PolarHBondContact O-N 3.47Å; L522-H568 PolarHBondContact O-ND1 2.94Å; T527-H568 WeakPolarHBondContact CB-NE2 3.47Å; T527-H568 PolarHBondContact OG1-NE2 2.86Å; M543-H568 HydrophobicContact CE-CB 3.87Å; M543-H568 WeakPolarHBondContact CE-CD2 3.47Å; M543-H568 VanDerWaalsContact CE-CG 3.41Å; F554-H568 HydrophobicContact CE1-CB 4.03Å; F554-H568 WeakPolarHBondContact CE1-O 3.08Å; F554-H568 WeakPolarHBondContact CZ-O 3.19Å; V556-H568 HydrophobicContact CG1-CB 4.33Å; V556-H568 HydrophobicContact CG2-CB 4.5Å; V566-H568 PolarHBondContact O-ND1 3.34Å
569S91.9Very high89Confident10 Ų1037.7 Ų37.77%0.0722%0.22CC..EExtended strand (participates in β ladder)trans-93.3136.7179.4-48.90000109.9L456 C520 T557 N558L456-S569 WeakPolarHBondContact CD2-OG 3.41Å; C520-S569 WeakPolarHBondContact O-CA 3.11Å; T557-S569 PolarHBondContact N-O 3.32Å; T557-S569 PolarHBondContact OG1-O 3.48Å; N558-S569 PolarHBondContact N-O 3.44Å; N558-S569 PolarHBondContact O-N 3.19Å
570G86.6Confident89Confident3 Ų339 Ų393%0.03123%0.227CC..EExtended strand (participates in β ladder)trans178.1-177.3-170.700000114.8D519 C520 F554 C555D519-G570 WeakPolarHBondContact CA-O 3.35Å; C520-G570 PolarHBondContact N-O 2.94Å; C520-G570 PolarHBondContact O-N 3.5Å; F554-G570 WeakPolarHBondContact CE2-O 3.37Å; F554-G570 VanDerWaalsContact CZ-N 3.35Å; C555-G570 CarbonylContact O-C 3.53Å; C555-G570 WeakPolarHBondContact O-CA 3.3Å
571K82.8Confident89.2Confident106 Ų10644.1 Ų44.146%0.46125%0.248SC..EExtended strand (participates in β ladder)trans-110.4142.3178.7-74.3-171175.3-161.20111.6D518 D519 F554 C555D518-K571 WeakPolarHBondContact O-CA 3.37Å; D519-K571 WeakPolarHBondContact OD1-CE 3.28Å; D519-K571 WeakPolarHBondContact OD1-CG 3.19Å; D519-K571 WeakPolarHBondContact OD2-CE 3.3Å; D519-K571 IonicContact OD2-NZ 2.91Å; F554-K571 CarbonylContact C-O 3.32Å; F554-K571 WeakPolarHBondContact CA-O 3.19Å; F554-K571 WeakPolarHBondContact CD2-O 3.14Å; C555-K571 PolarHBondContact N-O 3.46Å; C555-K571 PolarHBondContact O-N 3.43Å
572V88.4Confident89.5Confident0 Ų042.3 Ų42.30%023%0.233CC..EExtended strand (participates in β ladder)trans-96.7139.7179.3-179.60000110V514 T515 S516 G517 D518 F554 I576V514-V572 HydrophobicContact CB-CG2 3.96Å; V514-V572 HydrophobicContact CG2-CB 4.39Å; V514-V572 HydrophobicContact CG2-CG1 4.21Å; V514-V572 HydrophobicContact CG2-CG2 3.48Å; V514-V572 VanDerWaalsContact CG2-CG2 3.48Å; T515-V572 WeakPolarHBondContact O-CB 3.33Å; S516-V572 CarbonylContact C-O 3.57Å; S516-V572 VanDerWaalsContact CA-O 3.3Å; S516-V572 WeakPolarHBondContact CA-O 3.48Å; G517-V572 PolarHBondContact N-O 2.9Å; D518-V572 PolarHBondContact O-N 3.45Å; D518-V572 VanDerWaalsContact O-N 3.1Å; F554-V572 HydrophobicContact CD2-CG2 3.68Å; F554-V572 HydrophobicContact CE2-CG2 4.01Å; V572-I576 HydrophobicContact CG1-CD1 4.13Å; V572-I576 HydrophobicContact CG1-CG1 4.18Å
573E78.8Confident90Very high113 Ų11336.9 Ų36.953%0.52822%0.216SC..EExtended strand (participates in β ladder)trans-123.8126.6161-71.9-64.2170.900108.9S516 A552 E553S516-E573 WeakPolarHBondContact CB-OE2 3.49Å; S516-E573 WeakPolarHBondContact OG-CA 3.4Å; S516-E573 PolarHBondContact OG-OE2 3.32Å; A552-E573 CarbonylContact C-O 3.33Å; A552-E573 WeakPolarHBondContact CA-O 3.39Å; A552-E573 WeakPolarHBondContact CB-O 3.49Å; E553-E573 PolarHBondContact N-O 3.31Å; E553-E573 PolarHBondContact O-N 2.86Å
574G84.9Confident90.7Very high19 Ų1934.6 Ų34.620%0.19620%0.195CC..SBendtrans88.1-150.1-169.500000112.5T515 S516T515-G574 CarbonylContact C-O 3.56Å; T515-G574 VanDerWaalsContact C-O 3.31Å; T515-G574 VanDerWaalsContact CA-O 3.24Å; T515-G574 WeakPolarHBondContact CA-O 3.25Å; S516-G574 PolarHBondContact N-O 2.93Å; S516-G574 PolarHBondContact OG-N 3.38Å
575I89.8Confident90.8Very high71 Ų7136.1 Ų36.136%0.36419%0.187SC..EExtended strand (participates in β ladder)trans-125.5119.8-176.6-57.2179.1000109.7Q513 V514 T515Q513-I575 HydrophobicContact CG-CG2 3.71Å; Q513-I575 VanDerWaalsContact NE2-CG2 3.27Å; V514-I575 WeakPolarHBondContact O-CA 3.27Å; T515-I575 HydrophobicContact CG2-CG1 4.4Å
576I92Very high90.7Very high0 Ų036.1 Ų36.10%019%0.188CC..EExtended strand (participates in β ladder)trans-116.1129.7175.3-60.3176.6000109V501 I504 Q513 V514 A552 F554 V572 L582V501-I576 HydrophobicContact CG2-CG2 4.09Å; I504-I576 HydrophobicContact CD1-CG2 4.37Å; Q513-I576 WeakPolarHBondContact CA-O 3.37Å; V514-I576 HydrophobicContact CG2-CB 3.96Å; V514-I576 PolarHBondContact N-O 3.15Å; V514-I576 PolarHBondContact O-N 3.06Å; V514-I576 VanDerWaalsContact O-N 3.1Å; A552-I576 HydrophobicContact CB-CG1 4.11Å; F554-I576 HydrophobicContact CB-CD1 3.64Å; F554-I576 HydrophobicContact CG-CD1 4.44Å; V572-I576 HydrophobicContact CG1-CD1 4.13Å; V572-I576 HydrophobicContact CG1-CG1 4.18Å; I576-L582 HydrophobicContact CD1-CD1 4.39Å; I576-L582 HydrophobicContact CG2-CD1 4.36Å
577T94.7Very high89.6Confident40 Ų4036.6 Ų36.625%0.24519%0.19CC..EExtended strand (participates in β ladder)trans-123.4148.6-177.9-520000109.8N512 Q513 G579 D580N512-T577 CarbonylContact O-C 3.47Å; N512-T577 VanDerWaalsContact O-CA 3.28Å; N512-T577 WeakPolarHBondContact O-CA 3.44Å; N512-T577 VanDerWaalsContact O-CG2 3.22Å; N512-T577 WeakPolarHBondContact O-CG2 3.29Å; Q513-T577 PolarHBondContact NE2-OG1 2.99Å; T577-G579 PolarHBondContact O-N 2.96Å; T577-D580 PolarHBondContact N-OD2 3.14Å; T577-D580 VanDerWaalsContact O-CB 3.26Å; T577-D580 WeakPolarHBondContact O-CB 3.38Å; T577-D580 VanDerWaalsContact O-CG 3.26Å; T577-D580 PolarHBondContact O-N 3.5Å
578V95.6Very high88.1Confident52 Ų5238.3 Ų38.332%0.31520%0.198SC..THydrogen-bonded Turntrans-53.7129.6171173.80000109.6L502 I504 N512L502-V578 WeakPolarHBondContact O-CG1 3.44Å; I504-V578 HydrophobicContact CD1-CG2 4.02Å; I504-V578 HydrophobicContact CG1-CG2 3.84Å; N512-V578 PolarHBondContact O-N 3.41Å
579G94Very high86Confident29 Ų2944.5 Ų44.530%0.29923%0.227SC..THydrogen-bonded Turntrans98.6-13.2-176.100000115V501 T577V501-G579 WeakPolarHBondContact O-CA 3.32Å; V501-G579 PolarHBondContact O-N 3.32Å; T577-G579 PolarHBondContact O-N 2.96Å
580D94.2Very high83.9Confident28 Ų2850.5 Ų50.515%0.1526%0.257CS..  trans-60.7147.4175-77.1-22.5000111.7R500 V501 K545 T577 L582R500-D580 WeakPolarHBondContact CA-O 3.3Å; V501-D580 HydrophobicContact CG2-CB 4.48Å; V501-D580 PolarHBondContact N-O 3.02Å; K545-D580 HydrophobicContact CD-CB 4.46Å; K545-D580 VanDerWaalsContact CE-CG 3.48Å; K545-D580 WeakPolarHBondContact CE-OD1 3.36Å; K545-D580 WeakPolarHBondContact CE-OD2 3.48Å; K545-D580 IonicContact NZ-OD1 2.64Å; K545-D580 PolarHBondContact NZ-OD1 3.37Å; K545-D580 IonicContact NZ-OD2 2.73Å; K545-D580 PolarHBondContact NZ-OD2 3.3Å; T577-D580 PolarHBondContact N-OD2 3.14Å; T577-D580 VanDerWaalsContact O-CB 3.26Å; T577-D580 WeakPolarHBondContact O-CB 3.38Å; T577-D580 VanDerWaalsContact O-CG 3.26Å; T577-D580 PolarHBondContact O-N 3.5Å; D580-L582 HydrophobicContact CB-CD2 4.44Å
581K94.9Very high81.8Confident154 Ų15451.2 Ų51.267%0.6727%0.265SS*.EExtended strand (participates in β ladder)trans-97.2127.2171.6-69.1-177.9-179177.30109.7V498 C499V498-K581 HydrophobicContact CG1-CB 4.18Å; C499-K581 CarbonylContact O-C 3.59Å; C499-K581 VanDerWaalsContact O-CA 3.24Å; C499-K581 WeakPolarHBondContact O-CA 3.41Å
582L93.8Very high79.6Confident0 Ų053.4 Ų53.40%029%0.29CS..EExtended strand (participates in β ladder)trans-122.6135-179.6-50.9177.4000110.3V498 C499 V501 L522 M543 E544 K545 I576 D580V498-L582 CarbonylContact C-O 3.57Å; V498-L582 WeakPolarHBondContact CA-O 3.35Å; C499-L582 PolarHBondContact N-O 3.36Å; C499-L582 PolarHBondContact O-N 2.85Å; V501-L582 HydrophobicContact CG2-CD1 3.54Å; V501-L582 HydrophobicContact CG2-CG 3.98Å; L522-L582 HydrophobicContact CD1-CD1 4.11Å; M543-L582 HydrophobicContact CB-CB 3.86Å; M543-L582 HydrophobicContact CB-CD1 3.86Å; M543-L582 HydrophobicContact CB-CG 4.46Å; M543-L582 HydrophobicContact SD-CD1 4.24Å; E544-L582 CarbonylContact O-C 3.47Å; E544-L582 VanDerWaalsContact O-CA 3.31Å; E544-L582 WeakPolarHBondContact O-CA 3.33Å; K545-L582 HydrophobicContact CB-CD2 3.62Å; K545-L582 HydrophobicContact CG-CD2 4.18Å; I576-L582 HydrophobicContact CD1-CD1 4.39Å; I576-L582 HydrophobicContact CG2-CD1 4.36Å; D580-L582 HydrophobicContact CB-CD2 4.44Å
583T93.5Very high77.2Confident30 Ų3059.4 Ų59.418%0.18432%0.321CS..EExtended strand (participates in β ladder)trans-87.2125.7172-570000108.8T496 M543 E544T496-T583 HydrophobicContact CG2-CG2 3.79Å; M543-T583 CarbonylContact C-O 3.51Å; M543-T583 WeakPolarHBondContact CA-O 3.47Å; E544-T583 PolarHBondContact N-O 2.8Å; E544-T583 PolarHBondContact O-N 3.01Å
584Q92.8Very high75.4Confident11 Ų1156.8 Ų56.85%0.05133%0.325CS..EExtended strand (participates in β ladder)trans-89.6134.2-177-61.7-170.6-0.900112C497 C499 R526 T527 F529 M543C497-Q584 HydrophobicContact CB-CB 4.29Å; C497-Q584 PolarHBondContact O-N 2.73Å; C499-Q584 PolarHBondContact SG-NE2 3.29Å; R526-Q584 PolarHBondContact O-NE2 2.87Å; T527-Q584 PolarHBondContact OG1-NE2 3.45Å; T527-Q584 PolarHBondContact OG1-OE1 3.28Å; T527-Q584 VanDerWaalsContact OG1-OE1 3.1Å; F529-Q584 HydrophobicContact CD2-CB 4.43Å; F529-Q584 HydrophobicContact CD2-CG 4.43Å; F529-Q584 HydrophobicContact CE2-CB 3.87Å; F529-Q584 HydrophobicContact CE2-CG 4.04Å; M543-Q584 HydrophobicContact CG-CG 4.24Å
585R87.1Confident73.3Confident77 Ų7757.4 Ų57.429%0.29133%0.327SS..EExtended strand (participates in β ladder)trans-126.186.2-178.4-60.8-72.4179.6-1782.6108.7G541 F542 E544 D587 E588G541-R585 VanDerWaalsContact CA-O 3.31Å; G541-R585 WeakPolarHBondContact CA-O 3.49Å; F542-R585 HydrophobicContact CB-CB 4.34Å; F542-R585 PolarHBondContact N-O 2.88Å; F542-R585 PolarHBondContact O-N 2.92Å; E544-R585 HydrophobicContact CG-CG 4.35Å; E544-R585 IonicContact OE2-NE 3.42Å; E544-R585 PolarHBondContact OE2-NE 3.47Å; R585-D587 PolarHBondContact O-N 3.42Å; R585-E588 HydrophobicContact CB-CB 4.34Å; R585-E588 WeakPolarHBondContact CD-OE2 3.34Å; R585-E588 IonicContact CZ-OE2 3.83Å; R585-E588 IonicContact NE-OE2 2.64Å; R585-E588 IonicContact NH1-OE1 2.79Å; R585-E588 IonicContact NH1-OE2 3.48Å; R585-E588 PolarHBondContact NH1-OE2 2.93Å
586V87.4Confident71.3Confident5 Ų556.6 Ų56.63%0.0333%0.327CS..EExtended strand (participates in β ladder)trans-78.4121.7-177.3-176.70000110.2L494 F529 D539 E588L494-V586 HydrophobicContact CD2-CB 4.16Å; L494-V586 HydrophobicContact CD2-CG2 4.15Å; F529-V586 HydrophobicContact CD1-CG1 4.45Å; F529-V586 HydrophobicContact CD1-CG2 4.12Å; F529-V586 HydrophobicContact CD2-CG2 3.98Å; F529-V586 HydrophobicContact CE1-CG2 4.17Å; F529-V586 HydrophobicContact CE2-CG2 4.04Å; F529-V586 HydrophobicContact CG-CG2 4.01Å; F529-V586 HydrophobicContact CZ-CG2 4.13Å; D539-V586 HydrophobicContact CB-CG1 3.73Å; V586-E588 PolarHBondContact O-N 3.31Å
587D69.4Low69.4Low13 Ų1360.7 Ų60.77%0.0735%0.345CS..SBendtrans49.621.6175.8-64.7-34.3000114.9E540 R585 Q589 Q598 R600 R601E540-D587 PolarHBondContact N-OD1 2.95Å; E540-D587 PolarHBondContact O-N 3.34Å; R585-D587 PolarHBondContact O-N 3.42Å; D587-Q589 PolarHBondContact O-N 2.98Å; D587-Q589 VanDerWaalsContact O-N 3.17Å; D587-Q598 WeakPolarHBondContact O-CA 2.94Å; D587-R600 HydrophobicContact CB-CB 4.05Å; D587-R600 WeakPolarHBondContact OD1-CD 3.46Å; D587-R601 HydrophobicContact CB-CB 4.43Å; D587-R601 WeakPolarHBondContact OD2-CA 3.21Å; D587-R601 VanDerWaalsContact OD2-CB 3.28Å; D587-R601 WeakPolarHBondContact OD2-CB 3.07Å; D587-R601 PolarHBondContact OD2-N 3.44Å
588E63.2Low67.8Low43 Ų4360.2 Ų60.220%0.20134%0.34CS..EExtended strand (participates in β ladder)trans-77.8104.9-173.4-164.1165.8-175.500109.3R585 V586 S596R585-E588 HydrophobicContact CB-CB 4.34Å; R585-E588 WeakPolarHBondContact CD-OE2 3.34Å; R585-E588 IonicContact CZ-OE2 3.83Å; R585-E588 IonicContact NE-OE2 2.64Å; R585-E588 IonicContact NH1-OE1 2.79Å; R585-E588 IonicContact NH1-OE2 3.48Å; R585-E588 PolarHBondContact NH1-OE2 2.93Å; V586-E588 PolarHBondContact O-N 3.31Å; E588-S596 WeakPolarHBondContact OE1-CB 3.45Å; E588-S596 PolarHBondContact OE1-OG 3.14Å
589Q50.9Low66.8Low130 Ų13062 Ų6261%0.60735%0.345SS*.EExtended strand (participates in β ladder)trans-99.9132.1169-72.4-172.6-5.400109.8D587 G591 S596 F597D587-Q589 PolarHBondContact O-N 2.98Å; D587-Q589 VanDerWaalsContact O-N 3.17Å; Q589-G591 PolarHBondContact O-N 3.43Å; Q589-S596 WeakPolarHBondContact O-CA 3.38Å; Q589-F597 PolarHBondContact N-O 3.38Å; Q589-F597 VanDerWaalsContact N-O 3.15Å; Q589-F597 PolarHBondContact O-N 3.38Å
590I47.4Very low66.4Low136 Ų13662.4 Ų62.470%0.69734%0.337SS*.EExtended strand (participates in β ladder)trans-82.8112.7170.5-56.6179.2000107.8S595I590-S595 CarbonylContact C-O 3.49Å; I590-S595 WeakPolarHBondContact CA-O 3.3Å
591G43.4Very low66.2Low19 Ų1961.1 Ų61.120%0.19633%0.331CS..  trans-63.6160.9171.600000111.9Q589 D593 G594 S595Q589-G591 PolarHBondContact O-N 3.43Å; G591-D593 PolarHBondContact O-N 2.88Å; G591-G594 PolarHBondContact O-N 3.14Å; G591-S595 PolarHBondContact N-O 3.39Å
592P35Very low66Low152 Ų15256.5 Ų56.599%0.98731%0.309SS*.THydrogen-bonded Turntrans-61.1-11.9-17822.3-32.2000114.9
593D39.2Very low65.8Low125 Ų12557.9 Ų57.967%0.66832%0.316SS*.THydrogen-bonded Turntrans-99.56175.263.1-5.7000113.6G591 S595G591-D593 PolarHBondContact O-N 2.88Å; D593-S595 VanDerWaalsContact C-N 3.31Å; D593-S595 VanDerWaalsContact OD1-CB 3.29Å; D593-S595 WeakPolarHBondContact OD1-CB 3.49Å; D593-S595 PolarHBondContact OD1-N 2.97Å; D593-S595 PolarHBondContact OD1-OG 3.37Å; D593-S595 PolarHBondContact OD2-OG 3.22Å
594G39.9Very low65.8Low59 Ų5956.5 Ų56.561%0.60831%0.307SS*.SBendtrans81.83.4-177.900000114.6G591G591-G594 PolarHBondContact O-N 3.14Å
595S41.4Very low65.9Low32 Ų3256 Ų5622%0.22431%0.305CS..  trans-75.3135.3173.761.40000110.8I590 G591 D593 F597I590-S595 CarbonylContact C-O 3.49Å; I590-S595 WeakPolarHBondContact CA-O 3.3Å; G591-S595 PolarHBondContact N-O 3.39Å; D593-S595 VanDerWaalsContact C-N 3.31Å; D593-S595 VanDerWaalsContact OD1-CB 3.29Å; D593-S595 WeakPolarHBondContact OD1-CB 3.49Å; D593-S595 PolarHBondContact OD1-N 2.97Å; D593-S595 PolarHBondContact OD1-OG 3.37Å; D593-S595 PolarHBondContact OD2-OG 3.22Å; S595-F597 WeakPolarHBondContact OG-CD2 3.33Å; S595-F597 WeakPolarHBondContact OG-CE2 3.48Å
596S47.2Very low66.3Low54 Ų5452.6 Ų52.638%0.37829%0.293SS..EExtended strand (participates in β ladder)trans-93.7128.9173.280.20000110.7E588 Q589E588-S596 WeakPolarHBondContact OE1-CB 3.45Å; E588-S596 PolarHBondContact OE1-OG 3.14Å; Q589-S596 WeakPolarHBondContact O-CA 3.38Å
597F52.9Low66.8Low85 Ų8552.5 Ų52.537%0.37329%0.292SS..EExtended strand (participates in β ladder)trans-130.1131179.1-70.6-68.3000111.5Q589 S595 E599Q589-F597 PolarHBondContact N-O 3.38Å; Q589-F597 VanDerWaalsContact N-O 3.15Å; Q589-F597 PolarHBondContact O-N 3.38Å; S595-F597 WeakPolarHBondContact OG-CD2 3.33Å; S595-F597 WeakPolarHBondContact OG-CE2 3.48Å; F597-E599 VanDerWaalsContact C-N 3.27Å; F597-E599 PolarHBondContact O-N 3.13Å; F597-E599 VanDerWaalsContact O-N 3.14Å
598Q60.9Low68.1Low30 Ų3052.1 Ų52.114%0.1429%0.29CS..EExtended strand (participates in β ladder)trans-88.764176.4-63166.6-8.800109.9Y492 D587 R600 R602Y492-Q598 PolarHBondContact O-OE1 2.81Å; D587-Q598 WeakPolarHBondContact O-CA 2.94Å; Q598-R600 PolarHBondContact O-N 2.93Å; Q598-R602 VanDerWaalsContact O-CB 3.26Å; Q598-R602 WeakPolarHBondContact O-CB 3.3Å; Q598-R602 PolarHBondContact O-N 3.26Å
599E75.3Confident69.7Low89 Ų8950.2 Ų50.242%0.41628%0.281SS..Hα-helixtrans-64.5-44.1-168.1-170.9170.8-166.200111.7F597 R602 L603F597-E599 VanDerWaalsContact C-N 3.27Å; F597-E599 PolarHBondContact O-N 3.13Å; F597-E599 VanDerWaalsContact O-N 3.14Å; E599-R602 PolarHBondContact O-N 2.78Å; E599-L603 HydrophobicContact CG-CD1 3.98Å; E599-L603 HydrophobicContact CG-CG 4.38Å; E599-L603 VanDerWaalsContact O-CG 3.25Å; E599-L603 WeakPolarHBondContact O-CG 3.3Å; E599-L603 PolarHBondContact O-N 2.94Å
600R84.4Confident72Confident38 Ų3844 Ų4414%0.14325%0.252CS..Hα-helixtrans-66.2-56.3-175.2-174.3-176.5177.5-69.99111.9I537 Y538 E540 D587 Q598 R602 L603 V604 P634I537-R600 VanDerWaalsContact CD1-NH2 3.34Å; Y538-R600 VanDerWaalsContact O-CZ 3.24Å; Y538-R600 PolarHBondContact O-NH1 3.14Å; Y538-R600 PolarHBondContact O-NH2 2.9Å; E540-R600 IonicContact OE1-CZ 3.52Å; E540-R600 VanDerWaalsContact OE1-CZ 3.29Å; E540-R600 IonicContact OE1-NE 3.35Å; E540-R600 PolarHBondContact OE1-NE 3.07Å; E540-R600 VanDerWaalsContact OE1-NE 3.11Å; E540-R600 IonicContact OE1-NH2 2.81Å; E540-R600 PolarHBondContact OE1-NH2 2.92Å; E540-R600 IonicContact OE2-NE 3.7Å; D587-R600 HydrophobicContact CB-CB 4.05Å; D587-R600 WeakPolarHBondContact OD1-CD 3.46Å; Q598-R600 PolarHBondContact O-N 2.93Å; R600-R602 VanDerWaalsContact C-N 3.26Å; R600-R602 PolarHBondContact O-N 3.48Å; R600-L603 PolarHBondContact O-N 2.62Å; R600-L603 VanDerWaalsContact O-N 3.11Å; R600-V604 WeakPolarHBondContact O-CG2 2.93Å; R600-V604 PolarHBondContact O-N 3.11Å; R600-P634 HydrophobicContact CG-CB 4.09Å; R600-P634 HydrophobicContact CG-CG 4.01Å
601R90.2Very high74.3Confident2 Ų237.8 Ų37.81%0.00822%0.22CC..Hα-helixtrans-51.9-43.7173.9177.466.981.772.93.4112.4S528 D539 D587 V604 M605S528-R601 PolarHBondContact O-NH2 2.76Å; D539-R601 IonicContact OD1-CZ 3.12Å; D539-R601 IonicContact OD1-NE 3.15Å; D539-R601 PolarHBondContact OD1-NE 3.37Å; D539-R601 IonicContact OD1-NH2 3.51Å; D539-R601 IonicContact OD2-CZ 3.88Å; D539-R601 IonicContact OD2-NE 2.96Å; D539-R601 PolarHBondContact OD2-NE 3.37Å; D539-R601 IonicContact OD2-NH2 3.65Å; D539-R601 PolarHBondContact OD2-NH2 3.32Å; D587-R601 HydrophobicContact CB-CB 4.43Å; D587-R601 WeakPolarHBondContact OD2-CA 3.21Å; D587-R601 VanDerWaalsContact OD2-CB 3.28Å; D587-R601 WeakPolarHBondContact OD2-CB 3.07Å; D587-R601 PolarHBondContact OD2-N 3.44Å; R601-V604 WeakPolarHBondContact O-CB 3.36Å; R601-V604 PolarHBondContact O-N 3.19Å; R601-M605 HydrophobicContact CG-CG 4.4Å; R601-M605 HydrophobicContact CG-SD 3.88Å; R601-M605 VanDerWaalsContact O-CG 3.27Å; R601-M605 WeakPolarHBondContact O-CG 3.34Å; R601-M605 PolarHBondContact O-N 3.23Å
602R90Very high76.8Confident56 Ų5637.3 Ų37.321%0.21121%0.213CC..Hα-helixtrans-64.9-41.3179.7-174.1-17964.5180-4.9112.2N490 Y492 Q598 E599 R600 V604 M605 K606N490-R602 WeakPolarHBondContact O-CD 3.43Å; N490-R602 PolarHBondContact O-NH1 2.99Å; Y492-R602 HydrophobicContact CD2-CG 4.42Å; Q598-R602 VanDerWaalsContact O-CB 3.26Å; Q598-R602 WeakPolarHBondContact O-CB 3.3Å; Q598-R602 PolarHBondContact O-N 3.26Å; E599-R602 PolarHBondContact O-N 2.78Å; R600-R602 VanDerWaalsContact C-N 3.26Å; R600-R602 PolarHBondContact O-N 3.48Å; R602-V604 VanDerWaalsContact C-N 3.34Å; R602-M605 PolarHBondContact O-N 3.34Å; R602-K606 WeakPolarHBondContact O-CG 3.28Å; R602-K606 PolarHBondContact O-N 3.47Å
603L90.9Very high79.7Confident30 Ų3030.2 Ų30.216%0.15717%0.167CC..Hα-helixtrans-64.3-40.1174.9-71.4172000111.5E599 R600 K606 N607 P634 P759E599-L603 HydrophobicContact CG-CD1 3.98Å; E599-L603 HydrophobicContact CG-CG 4.38Å; E599-L603 VanDerWaalsContact O-CG 3.25Å; E599-L603 WeakPolarHBondContact O-CG 3.3Å; E599-L603 PolarHBondContact O-N 2.94Å; R600-L603 PolarHBondContact O-N 2.62Å; R600-L603 VanDerWaalsContact O-N 3.11Å; L603-K606 HydrophobicContact CD2-CD 4.23Å; L603-K606 WeakPolarHBondContact O-CB 3.22Å; L603-K606 PolarHBondContact O-N 3.07Å; L603-N607 PolarHBondContact O-N 3.14Å; L603-N607 PolarHBondContact O-ND2 3.08Å; L603-P634 HydrophobicContact CB-CB 3.83Å; L603-P634 HydrophobicContact CD1-CB 4.19Å; L603-P759 HydrophobicContact CD2-CG 4.41Å
604V93.2Very high82.5Confident0 Ų024.2 Ų24.20%014%0.135CC..Hα-helixtrans-60.5-48172.7171.30000110.7Q536 I537 R600 R601 R602 K606 N607 H608 V632 P634Q536-V604 HydrophobicContact CG-CG1 3.55Å; I537-V604 HydrophobicContact CG1-CG2 4.37Å; R600-V604 WeakPolarHBondContact O-CG2 2.93Å; R600-V604 PolarHBondContact O-N 3.11Å; R601-V604 WeakPolarHBondContact O-CB 3.36Å; R601-V604 PolarHBondContact O-N 3.19Å; R602-V604 VanDerWaalsContact C-N 3.34Å; V604-K606 VanDerWaalsContact C-N 3.34Å; V604-K606 PolarHBondContact O-N 3.23Å; V604-N607 PolarHBondContact O-N 3.07Å; V604-H608 WeakPolarHBondContact O-CB 3.43Å; V604-H608 PolarHBondContact O-N 2.92Å; V604-V632 HydrophobicContact CG1-CG1 4.06Å; V604-V632 VanDerWaalsContact O-CG1 3.29Å; V604-V632 WeakPolarHBondContact O-CG1 3.4Å; V604-P634 HydrophobicContact CG2-CB 4.18Å
605M95.3Very high85Confident1 Ų121.5 Ų21.51%0.00511%0.106CC..Hα-helixtrans-60.3-40.3176.7-69.7165.370.900112.5Y482 Y492 R601 R602 H608 T609 T727 H728 L729Y482-M605 HydrophobicContact CD2-CE 3.98Å; Y482-M605 HydrophobicContact CE2-CE 3.37Å; Y492-M605 HydrophobicContact CD1-CE 3.91Å; Y492-M605 HydrophobicContact CD2-CE 4.37Å; Y492-M605 HydrophobicContact CE1-CE 3.92Å; Y492-M605 HydrophobicContact CE2-CE 4.35Å; Y492-M605 HydrophobicContact CG-CE 4.16Å; R601-M605 HydrophobicContact CG-CG 4.4Å; R601-M605 HydrophobicContact CG-SD 3.88Å; R601-M605 VanDerWaalsContact O-CG 3.27Å; R601-M605 WeakPolarHBondContact O-CG 3.34Å; R601-M605 PolarHBondContact O-N 3.23Å; R602-M605 PolarHBondContact O-N 3.34Å; M605-H608 PolarHBondContact O-N 2.84Å; M605-T609 PolarHBondContact O-N 2.78Å; M605-T609 PolarHBondContact O-OG1 2.55Å; M605-T727 WeakPolarHBondContact CG-OG1 3.31Å; M605-H728 VanDerWaalsContact CE-C 3.43Å; M605-H728 WeakPolarHBondContact CE-O 3.49Å; M605-L729 HydrophobicContact CB-CD2 4.04Å; M605-L729 HydrophobicContact CB-CG 4.24Å
606K95.6Very high87.5Confident6 Ų620.7 Ų20.73%0.02610%0.099CC..Hα-helixtrans-57.4-51.4173.5-77.5171.3165.6-79.90111R602 L603 V604 H608 A610 L729 H734 I735 D736R602-K606 WeakPolarHBondContact O-CG 3.28Å; R602-K606 PolarHBondContact O-N 3.47Å; L603-K606 HydrophobicContact CD2-CD 4.23Å; L603-K606 WeakPolarHBondContact O-CB 3.22Å; L603-K606 PolarHBondContact O-N 3.07Å; V604-K606 VanDerWaalsContact C-N 3.34Å; V604-K606 PolarHBondContact O-N 3.23Å; K606-H608 VanDerWaalsContact C-N 3.32Å; K606-H608 PolarHBondContact O-N 3.39Å; K606-A610 VanDerWaalsContact O-CB 3.26Å; K606-A610 WeakPolarHBondContact O-CB 3.44Å; K606-A610 PolarHBondContact O-N 2.9Å; K606-L729 HydrophobicContact CB-CD1 4.38Å; K606-L729 HydrophobicContact CG-CD1 4.04Å; K606-L729 HydrophobicContact CG-CD2 4.28Å; K606-H734 WeakPolarHBondContact CE-O 3.31Å; K606-H734 PolarHBondContact NZ-O 2.92Å; K606-I735 PolarHBondContact NZ-O 2.8Å; K606-D736 IonicContact NZ-OD2 3.03Å; K606-D736 PolarHBondContact NZ-OD2 3.07Å
607N96.8Very high89.8Confident2 Ų218.1 Ų18.11%0.0118%0.081CC..Hα-helixtrans-66.1-34.5179.2-74.8-31.3000112.1L603 V604 T611 V632 A633 P634 L637 T757L603-N607 PolarHBondContact O-N 3.14Å; L603-N607 PolarHBondContact O-ND2 3.08Å; V604-N607 PolarHBondContact O-N 3.07Å; N607-T611 WeakPolarHBondContact O-CB 3.41Å; N607-T611 PolarHBondContact O-N 2.84Å; N607-T611 PolarHBondContact O-OG1 3.21Å; N607-V632 HydrophobicContact CB-CG1 3.69Å; N607-A633 PolarHBondContact ND2-O 3.03Å; N607-P634 PolarHBondContact ND2-O 3.11Å; N607-L637 HydrophobicContact CB-CB 4.16Å; N607-L637 HydrophobicContact CB-CD2 4.35Å; N607-L637 WeakPolarHBondContact O-CD2 3.42Å; N607-T757 WeakPolarHBondContact OD1-CB 3.35Å; N607-T757 WeakPolarHBondContact OD1-CG2 3.3Å; N607-T757 PolarHBondContact OD1-OG1 3.44Å
608H97.3Very high91.7Very high6 Ų614.1 Ų14.13%0.0286%0.063CC..Hα-helixtrans-67.2-55.8177.9-153152.5000110.5Q536 V604 M605 K606 A610 T611 H612 V632 C724 G726 H728Q536-H608 PolarHBondContact OE1-CE1 2.96Å; Q536-H608 PolarHBondContact OE1-ND1 3.29Å; V604-H608 WeakPolarHBondContact O-CB 3.43Å; V604-H608 PolarHBondContact O-N 2.92Å; M605-H608 PolarHBondContact O-N 2.84Å; K606-H608 VanDerWaalsContact C-N 3.32Å; K606-H608 PolarHBondContact O-N 3.39Å; H608-A610 PolarHBondContact O-N 3.31Å; H608-T611 VanDerWaalsContact O-CB 3.3Å; H608-T611 WeakPolarHBondContact O-CB 3.41Å; H608-T611 PolarHBondContact O-N 2.69Å; H608-H612 AromaticContact CD2-CD2 3.72Å; H608-H612 AromaticContact CD2-NE2 3.54Å; H608-H612 AromaticContact NE2-NE2 3.61Å; H608-H612 PolarHBondContact O-CD2 3Å; H608-H612 VanDerWaalsContact O-CD2 3.24Å; H608-H612 PolarHBondContact O-N 3.42Å; H608-V632 HydrophobicContact CB-CG1 3.84Å; H608-V632 VanDerWaalsContact N-CG1 3.34Å; H608-C724 PolarHBondContact NE2-SG 3.06Å; H608-C724 VanDerWaalsContact NE2-SG 3.37Å; H608-G726 VanDerWaalsContact CE1-CA 3.47Å; H608-G726 WeakPolarHBondContact CE1-CA 3.35Å; H608-H728 AromaticContact CD2-CE1 3.32Å; H608-H728 PolarHBondContact CD2-CE1 3.03Å; H608-H728 AromaticContact CD2-ND1 3.98Å; H608-H728 AromaticContact CE1-CE1 3.94Å; H608-H728 AromaticContact CG-CE1 3.55Å; H608-H728 AromaticContact CG-ND1 3.91Å; H608-H728 AromaticContact ND1-CE1 3.91Å; H608-H728 AromaticContact NE2-CE1 3.58Å
609T97.3Very high93Very high2 Ų216.6 Ų16.61%0.0127%0.071CC..Hα-helixtrans-58.5-38.4177.5-56.40000111.3M605 T611 H612 L613 V669 L729 I735M605-T609 PolarHBondContact O-N 2.78Å; M605-T609 PolarHBondContact O-OG1 2.55Å; T609-T611 VanDerWaalsContact C-N 3.32Å; T609-T611 PolarHBondContact O-N 3.16Å; T609-H612 PolarHBondContact O-N 3.3Å; T609-L613 PolarHBondContact O-N 2.86Å; T609-V669 HydrophobicContact CG2-CG2 4.17Å; T609-L729 PolarHBondContact OG1-N 2.82Å; T609-L729 VanDerWaalsContact OG1-N 3.07Å; T609-I735 HydrophobicContact CG2-CD1 4.04Å; T609-I735 HydrophobicContact CG2-CG1 4.46Å
610A97.8Very high93.7Very high0 Ų018 Ų180%08%0.077CC..Hα-helixtrans-64.9-32.1174.900000113.7K606 H608 H612 L613 L614 L637 I735 F738 T757K606-A610 VanDerWaalsContact O-CB 3.26Å; K606-A610 WeakPolarHBondContact O-CB 3.44Å; K606-A610 PolarHBondContact O-N 2.9Å; H608-A610 PolarHBondContact O-N 3.31Å; A610-H612 VanDerWaalsContact C-N 3.32Å; A610-H612 PolarHBondContact O-N 2.96Å; A610-L613 PolarHBondContact O-N 3.42Å; A610-L614 WeakPolarHBondContact O-CB 3.37Å; A610-L614 PolarHBondContact O-N 2.91Å; A610-L637 HydrophobicContact CB-CD2 3.85Å; A610-I735 HydrophobicContact CB-CD1 4Å; A610-I735 HydrophobicContact CB-CG1 4.48Å; A610-I735 HydrophobicContact CB-CG2 4.19Å; A610-F738 HydrophobicContact CB-CD2 4.01Å; A610-F738 HydrophobicContact CB-CE2 4.16Å; A610-T757 HydrophobicContact CB-CG2 3.47Å; A610-T757 VanDerWaalsContact CB-CG2 3.47Å
611T97.1Very high94Very high6 Ų618.4 Ų18.44%0.0378%0.082CC..Hα-helixtrans-62.5-40.1175.8-60.30000111.3N607 H608 T609 L614 N615 F639N607-T611 WeakPolarHBondContact O-CB 3.41Å; N607-T611 PolarHBondContact O-N 2.84Å; N607-T611 PolarHBondContact O-OG1 3.21Å; H608-T611 VanDerWaalsContact O-CB 3.3Å; H608-T611 WeakPolarHBondContact O-CB 3.41Å; H608-T611 PolarHBondContact O-N 2.69Å; T609-T611 VanDerWaalsContact C-N 3.32Å; T609-T611 PolarHBondContact O-N 3.16Å; T611-L614 WeakPolarHBondContact O-CB 3.39Å; T611-L614 PolarHBondContact O-N 3.46Å; T611-N615 WeakPolarHBondContact O-CB 3.49Å; T611-N615 PolarHBondContact O-N 2.99Å; T611-F639 HydrophobicContact CG2-CD2 3.61Å; T611-F639 HydrophobicContact CG2-CE2 3.98Å
612H95.4Very high93.8Very high9 Ų919.4 Ų19.44%0.0429%0.088CC..Hα-helixtrans-64.9-42.8175.3-73.6-114.4000111.7H608 T609 A610 L614 N615 F616 S720 E722 H728H608-H612 AromaticContact CD2-CD2 3.72Å; H608-H612 AromaticContact CD2-NE2 3.54Å; H608-H612 AromaticContact NE2-NE2 3.61Å; H608-H612 PolarHBondContact O-CD2 3Å; H608-H612 VanDerWaalsContact O-CD2 3.24Å; H608-H612 PolarHBondContact O-N 3.42Å; T609-H612 PolarHBondContact O-N 3.3Å; A610-H612 VanDerWaalsContact C-N 3.32Å; A610-H612 PolarHBondContact O-N 2.96Å; H612-L614 VanDerWaalsContact C-N 3.32Å; H612-L614 PolarHBondContact O-N 2.93Å; H612-N615 PolarHBondContact O-N 2.64Å; H612-F616 PolarHBondContact O-N 2.91Å; H612-S720 PolarHBondContact O-OG 2.99Å; H612-E722 IonicContact CE1-OE2 3.43Å; H612-E722 PolarHBondContact CE1-OE2 2.73Å; H612-E722 IonicContact CG-OE1 3.8Å; H612-E722 IonicContact CG-OE2 2.82Å; H612-E722 VanDerWaalsContact ND1-CG 3.27Å; H612-E722 WeakPolarHBondContact ND1-CG 3.39Å; H612-E722 IonicContact ND1-OE1 3.14Å; H612-E722 IonicContact ND1-OE2 3.24Å; H612-E722 PolarHBondContact ND1-OE2 2.93Å; H612-H728 AromaticContact CD2-CE1 3.71Å; H612-H728 AromaticContact CE1-CE1 3.82Å; H612-H728 AromaticContact NE2-CE1 3.2Å; H612-H728 PolarHBondContact NE2-CE1 2.9Å; H612-H728 AromaticContact NE2-NE2 3.99Å
613L96.3Very high93.1Very high2 Ų225.8 Ų25.81%0.0112%0.118CC..Hα-helixtrans-65.4-37.2175.7-56.6-176.1000112.2T609 A610 F616 A617 I659 L662 V702 V732 I735T609-L613 PolarHBondContact O-N 2.86Å; A610-L613 PolarHBondContact O-N 3.42Å; L613-F616 PolarHBondContact O-N 3.41Å; L613-A617 WeakPolarHBondContact O-CB 3.43Å; L613-A617 PolarHBondContact O-N 2.83Å; L613-I659 HydrophobicContact CB-CG1 4.27Å; L613-I659 HydrophobicContact CB-CG2 4.34Å; L613-I659 HydrophobicContact CD1-CG2 4.34Å; L613-L662 HydrophobicContact CD1-CB 4.33Å; L613-L662 HydrophobicContact CD2-CD1 4.15Å; L613-V702 HydrophobicContact CD2-CG2 4.03Å; L613-V732 HydrophobicContact CD1-CG1 3.43Å; L613-V732 VanDerWaalsContact CD1-CG1 3.43Å; L613-V732 HydrophobicContact CD2-CG1 4.47Å; L613-I735 HydrophobicContact CD1-CD1 3.43Å; L613-I735 VanDerWaalsContact CD1-CD1 3.43Å; L613-I735 HydrophobicContact CG-CD1 4.36Å
614L96.4Very high92.2Very high0 Ų031.5 Ų31.50%014%0.144CC..Hα-helixtrans-62.8-45.7174.7176.362.1000111.1A610 T611 H612 F616 A617 L618 L637 F639 V655 I659 F738 I740 I753A610-L614 WeakPolarHBondContact O-CB 3.37Å; A610-L614 PolarHBondContact O-N 2.91Å; T611-L614 WeakPolarHBondContact O-CB 3.39Å; T611-L614 PolarHBondContact O-N 3.46Å; H612-L614 VanDerWaalsContact C-N 3.32Å; H612-L614 PolarHBondContact O-N 2.93Å; L614-F616 VanDerWaalsContact C-N 3.31Å; L614-F616 PolarHBondContact O-N 2.82Å; L614-A617 PolarHBondContact O-N 2.78Å; L614-L618 HydrophobicContact CD1-CD1 3.9Å; L614-L618 HydrophobicContact CD1-CG 3.94Å; L614-L618 HydrophobicContact CG-CD1 3.88Å; L614-L618 HydrophobicContact CG-CG 4.36Å; L614-L618 VanDerWaalsContact O-CB 3.32Å; L614-L618 WeakPolarHBondContact O-CB 3.39Å; L614-L618 VanDerWaalsContact O-CG 3.29Å; L614-L618 WeakPolarHBondContact O-CG 3.29Å; L614-L618 PolarHBondContact O-N 3.38Å; L614-L637 HydrophobicContact CD2-CD1 3.82Å; L614-F639 HydrophobicContact CD2-CB 3.68Å; L614-F639 HydrophobicContact CD2-CD1 4.22Å; L614-F639 HydrophobicContact CD2-CG 4Å; L614-F639 HydrophobicContact CG-CD1 4.43Å; L614-V655 HydrophobicContact CD1-CG1 3.57Å; L614-I659 HydrophobicContact CB-CD1 4.07Å; L614-I659 HydrophobicContact CD1-CD1 3.93Å; L614-F738 HydrophobicContact CB-CZ 4.47Å; L614-F738 HydrophobicContact CD1-CZ 4.22Å; L614-F738 HydrophobicContact CD2-CZ 4.49Å; L614-I740 HydrophobicContact CD1-CD1 4.45Å; L614-I753 HydrophobicContact CD1-CD1 4.41Å; L614-I753 HydrophobicContact CD2-CG2 3.8Å
615N94.3Very high91.7Very high2 Ų231.9 Ų31.91%0.01115%0.146CC..Hα-helixtrans-60.5-41.2176.1-166.811.2000111.9T611 H612 R619 F639 R686 E722T611-N615 WeakPolarHBondContact O-CB 3.49Å; T611-N615 PolarHBondContact O-N 2.99Å; H612-N615 PolarHBondContact O-N 2.64Å; N615-R619 PolarHBondContact O-N 3.21Å; N615-F639 HydrophobicContact CB-CE2 4.11Å; N615-F639 HydrophobicContact CB-CZ 3.71Å; N615-R686 WeakPolarHBondContact ND2-CD 3.16Å; N615-R686 WeakPolarHBondContact ND2-CG 3.39Å; N615-E722 WeakPolarHBondContact CB-OE1 3.38Å; N615-E722 PolarHBondContact ND2-OE1 2.98Å
616F93.6Very high91.1Very high15 Ų1535.1 Ų35.17%0.06617%0.166CC..Hα-helixtrans-62.1-54173.4176-97.2000112H612 L613 L614 L618 R619 E620 L662 T719H612-F616 PolarHBondContact O-N 2.91Å; L613-F616 PolarHBondContact O-N 3.41Å; L614-F616 VanDerWaalsContact C-N 3.31Å; L614-F616 PolarHBondContact O-N 2.82Å; F616-L618 PolarHBondContact O-N 3.35Å; F616-R619 PolarHBondContact O-N 2.78Å; F616-R619 VanDerWaalsContact O-N 3.16Å; F616-E620 HydrophobicContact CE1-CG 4.47Å; F616-E620 PolarHBondContact O-N 2.89Å; F616-L662 HydrophobicContact CD1-CD1 4.03Å; F616-L662 HydrophobicContact CE1-CD1 4.29Å; F616-T719 VanDerWaalsContact CD2-O 3.32Å; F616-T719 WeakPolarHBondContact CD2-O 3.24Å; F616-T719 VanDerWaalsContact CE2-C 3.42Å; F616-T719 WeakPolarHBondContact CE2-O 3.43Å
617A94.5Very high90.7Very high0 Ų037.6 Ų37.60%018%0.177CC..Hα-helixtrans-62.5-39.7-17800000112.5L613 L614 R619 E620 I621 V655 I658 I659L613-A617 WeakPolarHBondContact O-CB 3.43Å; L613-A617 PolarHBondContact O-N 2.83Å; L614-A617 PolarHBondContact O-N 2.78Å; A617-R619 VanDerWaalsContact C-N 3.27Å; A617-R619 PolarHBondContact O-N 2.75Å; A617-E620 PolarHBondContact O-N 3.28Å; A617-I621 PolarHBondContact O-N 2.89Å; A617-V655 HydrophobicContact CB-CG1 4.02Å; A617-I658 HydrophobicContact CB-CB 4.05Å; A617-I658 HydrophobicContact CB-CD1 4.45Å; A617-I658 HydrophobicContact CB-CG2 3.7Å; A617-I659 HydrophobicContact CB-CD1 4.33Å; A617-I659 HydrophobicContact CB-CG1 3.94Å
618L93.9Very high90.1Very high0 Ų042.3 Ų42.30%020%0.198CC..Hα-helixtrans-61-35.9176.5-79.3169.8000112.2L614 F616 E620 I621 V622 F639 F641 L647 V655 I753L614-L618 HydrophobicContact CD1-CD1 3.9Å; L614-L618 HydrophobicContact CD1-CG 3.94Å; L614-L618 HydrophobicContact CG-CD1 3.88Å; L614-L618 HydrophobicContact CG-CG 4.36Å; L614-L618 VanDerWaalsContact O-CB 3.32Å; L614-L618 WeakPolarHBondContact O-CB 3.39Å; L614-L618 VanDerWaalsContact O-CG 3.29Å; L614-L618 WeakPolarHBondContact O-CG 3.29Å; L614-L618 PolarHBondContact O-N 3.38Å; F616-L618 PolarHBondContact O-N 3.35Å; L618-E620 VanDerWaalsContact C-N 3.32Å; L618-E620 PolarHBondContact O-N 3.45Å; L618-I621 PolarHBondContact O-N 2.96Å; L618-V622 CarbonylContact O-C 3.6Å; L618-V622 WeakPolarHBondContact O-CA 3.46Å; L618-V622 WeakPolarHBondContact O-CB 3.46Å; L618-V622 PolarHBondContact O-N 3.47Å; L618-F639 HydrophobicContact CD1-CD1 3.59Å; L618-F639 HydrophobicContact CD1-CE1 3.54Å; L618-F641 HydrophobicContact CD1-CD1 4.09Å; L618-F641 HydrophobicContact CD1-CD2 4.38Å; L618-F641 HydrophobicContact CD1-CE1 4.25Å; L618-F641 HydrophobicContact CD1-CG 4.17Å; L618-F641 HydrophobicContact CD1-CZ 4.44Å; L618-F641 HydrophobicContact CD2-CE2 4.1Å; L618-F641 HydrophobicContact CD2-CZ 4.05Å; L618-L647 HydrophobicContact CD2-CD2 3.97Å; L618-V655 HydrophobicContact CD2-CG2 4.08Å; L618-I753 HydrophobicContact CD1-CD1 4.16Å; L618-I753 HydrophobicContact CD2-CD1 3.82Å; L618-I753 HydrophobicContact CG-CD1 4.5Å
619R88.4Confident89.5Confident83 Ų8343 Ų4331%0.31321%0.206SC..Hα-helixtrans-71-28.5178.9-165.5-179.8-179-147.95.8113N615 F616 A617 I621 R686N615-R619 PolarHBondContact O-N 3.21Å; F616-R619 PolarHBondContact O-N 2.78Å; F616-R619 VanDerWaalsContact O-N 3.16Å; A617-R619 VanDerWaalsContact C-N 3.27Å; A617-R619 PolarHBondContact O-N 2.75Å; R619-I621 VanDerWaalsContact C-N 3.29Å; R619-R686 VanDerWaalsContact CZ-NH1 3.34Å; R619-R686 VanDerWaalsContact NH1-CZ 3.35Å
620E88.6Confident89.1Confident117 Ų11743.8 Ų43.855%0.54721%0.212SC..Hα-helixtrans-67.5-33.7173.9-63.8-161.4105.500111.6F616 A617 L618 I658F616-E620 HydrophobicContact CE1-CG 4.47Å; F616-E620 PolarHBondContact O-N 2.89Å; A617-E620 PolarHBondContact O-N 3.28Å; L618-E620 VanDerWaalsContact C-N 3.32Å; L618-E620 PolarHBondContact O-N 3.45Å; E620-I658 HydrophobicContact CB-CD1 4.45Å
621I91.4Very high88.7Confident47 Ų4745.5 Ų45.524%0.24122%0.221CC..Hα-helixtrans-92.9-38.2-177.2-56.1-55.8000112.5A617 L618 R619 Q651 C654 V655 I658A617-I621 PolarHBondContact O-N 2.89Å; L618-I621 PolarHBondContact O-N 2.96Å; R619-I621 VanDerWaalsContact C-N 3.29Å; I621-Q651 HydrophobicContact CG2-CB 3.78Å; I621-Q651 HydrophobicContact CG2-CG 3.73Å; I621-C654 HydrophobicContact CD1-CB 4.07Å; I621-C654 VanDerWaalsContact CD1-SG 3.56Å; I621-V655 HydrophobicContact CB-CG2 4.26Å; I621-V655 HydrophobicContact CG1-CG2 3.81Å; I621-I658 HydrophobicContact CD1-CD1 4.04Å; I621-I658 HydrophobicContact CG1-CD1 4.2Å
622V86.5Confident88.5Confident23 Ų2345.2 Ų45.214%0.13922%0.22CC..SBendtrans-123.392.5-177.2-174.50000107.7L618 E624 S625 A643 L647L618-V622 CarbonylContact O-C 3.6Å; L618-V622 WeakPolarHBondContact O-CA 3.46Å; L618-V622 WeakPolarHBondContact O-CB 3.46Å; L618-V622 PolarHBondContact O-N 3.47Å; V622-E624 PolarHBondContact O-N 3.4Å; V622-S625 VanDerWaalsContact O-CB 3.24Å; V622-S625 WeakPolarHBondContact O-CB 3.25Å; V622-S625 PolarHBondContact O-N 2.81Å; V622-A643 HydrophobicContact CG1-CB 4.09Å; V622-L647 HydrophobicContact CG2-CD2 4.38Å; V622-L647 HydrophobicContact CG2-CG 4.4Å
623K75.4Confident88Confident191 Ų19145.2 Ų45.283%0.8322%0.221SC*.THydrogen-bonded Turntrans-53.5-30.4-171.8-68.2-175.7178.7179.60114.5
624E70.9Confident87.4Confident150 Ų15046.7 Ų46.770%0.70123%0.231SC*.THydrogen-bonded Turntrans-99.716.8-178.8-61.5-177.6-174.200113.5V622 V626 S642V622-E624 PolarHBondContact O-N 3.4Å; E624-V626 PolarHBondContact O-N 3.47Å; E624-V626 VanDerWaalsContact O-N 3.14Å; E624-S642 PolarHBondContact O-OG 2.94Å
625S82.9Confident86.7Confident7 Ų750.6 Ų50.65%0.04925%0.252CS..  trans-65.2113.9176.7178.20000110.7V622 S642V622-S625 VanDerWaalsContact O-CB 3.24Å; V622-S625 WeakPolarHBondContact O-CB 3.25Å; V622-S625 PolarHBondContact O-N 2.81Å; S625-S642 WeakPolarHBondContact CA-O 3.39Å
626V82.5Confident86.4Confident70 Ų7055.5 Ų55.542%0.42427%0.27SS..  trans-121.8129.5172.5-176.20000107.9E624 F641 S642E624-V626 PolarHBondContact O-N 3.47Å; E624-V626 VanDerWaalsContact O-N 3.14Å; V626-F641 CarbonylContact O-C 3.53Å; V626-F641 WeakPolarHBondContact O-CA 3.13Å; V626-S642 WeakPolarHBondContact CB-OG 3.21Å; V626-S642 PolarHBondContact N-OG 3.24Å; V626-S642 PolarHBondContact O-N 3.05Å; V626-S642 PolarHBondContact O-OG 3Å
627Q86.7Confident86.5Confident57 Ų5754.8 Ų54.827%0.26627%0.267SS..EExtended strand (participates in β ladder)trans-57138.5174.7-178.2175-35.700110.6F639 D640Q627-F639 HydrophobicContact CB-CE2 4.18Å; Q627-F639 HydrophobicContact CB-CZ 3.88Å; Q627-F639 HydrophobicContact CG-CE2 3.76Å; Q627-F639 HydrophobicContact CG-CZ 3.97Å; Q627-D640 CarbonylContact C-O 3.59Å
628K84.6Confident86.5Confident101 Ų10158.2 Ų58.244%0.43928%0.28SS..EExtended strand (participates in β ladder)trans-122.2-13.6176.7-64.6-60.8175-165.80113.1D640 I750K628-D640 HydrophobicContact CB-CB 4.22Å; K628-D640 PolarHBondContact N-O 3.48Å; K628-I750 HydrophobicContact CB-CG2 4.26Å; K628-I750 HydrophobicContact CG-CD1 4.42Å; K628-I750 HydrophobicContact CG-CG1 4.42Å; K628-I750 HydrophobicContact CG-CG2 4.36Å
629G84.3Confident86.6Confident20 Ų2058.2 Ų58.221%0.20628%0.28CS..EExtended strand (participates in β ladder)trans176.1156178.500000110.8D640G629-D640 PolarHBondContact N-O 3.16Å; G629-D640 PolarHBondContact O-N 3.14Å
630S90.2Very high86.7Confident20 Ų2054.7 Ų54.714%0.1427%0.267CS..EExtended strand (participates in β ladder)trans-143.2150.9177.2-175.20000110.3R638S630-R638 CarbonylContact C-O 3.49Å; S630-R638 WeakPolarHBondContact CA-O 3.46Å
631L88.6Confident86.8Confident36 Ų3649.1 Ų49.119%0.18824%0.241CC..EExtended strand (participates in β ladder)trans-137.8124.3164.4174.273.8000107.5G535 I537 L637 R638G535-L631 CarbonylContact O-C 3.52Å; G535-L631 VanDerWaalsContact O-CA 3.31Å; G535-L631 WeakPolarHBondContact O-CA 3.27Å; I537-L631 HydrophobicContact CG2-CD1 3.64Å; L631-L637 CarbonylContact O-C 3.56Å; L631-L637 VanDerWaalsContact O-CA 3.28Å; L631-L637 WeakPolarHBondContact O-CA 3.47Å; L631-R638 HydrophobicContact CB-CB 4.04Å; L631-R638 PolarHBondContact N-O 3.34Å; L631-R638 PolarHBondContact O-N 3.31Å
632V94.4Very high86.6Confident0 Ų048 Ų480%024%0.238CC..EExtended strand (participates in β ladder)trans-118.2100.6176.7-178.30000107.4G535 Q536 I537 V604 N607 H608G535-V632 PolarHBondContact O-N 2.95Å; Q536-V632 HydrophobicContact CB-CB 4.41Å; I537-V632 PolarHBondContact N-O 3.11Å; V604-V632 HydrophobicContact CG1-CG1 4.06Å; V604-V632 VanDerWaalsContact O-CG1 3.29Å; V604-V632 WeakPolarHBondContact O-CG1 3.4Å; N607-V632 HydrophobicContact CB-CG1 3.69Å; H608-V632 HydrophobicContact CB-CG1 3.84Å; H608-V632 VanDerWaalsContact N-CG1 3.34Å
633A84Confident86.5Confident8 Ų847.4 Ų47.47%0.06624%0.235CC..  trans-112.6164.8177.200000109.6I537 N607 D635 R636I537-A633 HydrophobicContact CD1-CB 4.14Å; N607-A633 PolarHBondContact ND2-O 3.03Å; A633-D635 VanDerWaalsContact C-N 3.29Å; A633-D635 WeakPolarHBondContact CB-OD1 3.5Å; A633-D635 PolarHBondContact O-N 3.23Å; A633-R636 CarbonylContact C-O 3.58Å; A633-R636 PolarHBondContact N-O 3.46Å
634P82.9Confident86.7Confident33 Ų3344 Ų4421%0.21424%0.235CC..SBendtrans-65.9-29.9179.423.2-34.1000113.3I537 R600 L603 V604 N607I537-P634 HydrophobicContact CD1-CG 4.46Å; R600-P634 HydrophobicContact CG-CB 4.09Å; R600-P634 HydrophobicContact CG-CG 4.01Å; L603-P634 HydrophobicContact CB-CB 3.83Å; L603-P634 HydrophobicContact CD1-CB 4.19Å; V604-P634 HydrophobicContact CG2-CB 4.18Å; N607-P634 PolarHBondContact ND2-O 3.11Å
635D81.3Confident87.4Confident83 Ų8340.5 Ų40.544%0.44423%0.228SC..SBendtrans-89-23.3-176.368-47.9000113.7A633 L756A633-D635 VanDerWaalsContact C-N 3.29Å; A633-D635 WeakPolarHBondContact CB-OD1 3.5Å; A633-D635 PolarHBondContact O-N 3.23Å; D635-L756 VanDerWaalsContact O-CD2 3.31Å; D635-L756 WeakPolarHBondContact O-CD2 3.42Å
636R88.6Confident87.7Confident105 Ų10541.5 Ų41.540%0.39624%0.239SC..  trans-162.8163-177.265.5-172.7-178.3-99.20.7112.8A633 V754 L756A633-R636 CarbonylContact C-O 3.58Å; A633-R636 PolarHBondContact N-O 3.46Å; R636-V754 HydrophobicContact CB-CG1 4.39Å; R636-L756 HydrophobicContact CB-CD2 3.93Å
637L96.5Very high88.2Confident0 Ų039 Ų390%022%0.223CC..EExtended strand (participates in β ladder)trans-113149.6159.368.691.8000110.9N607 A610 L614 L631 F738 V754 A755 T757N607-L637 HydrophobicContact CB-CB 4.16Å; N607-L637 HydrophobicContact CB-CD2 4.35Å; N607-L637 WeakPolarHBondContact O-CD2 3.42Å; A610-L637 HydrophobicContact CB-CD2 3.85Å; L614-L637 HydrophobicContact CD2-CD1 3.82Å; L631-L637 CarbonylContact O-C 3.56Å; L631-L637 VanDerWaalsContact O-CA 3.28Å; L631-L637 WeakPolarHBondContact O-CA 3.47Å; L637-F738 HydrophobicContact CD2-CE2 4.13Å; L637-V754 WeakPolarHBondContact O-CA 3.47Å; L637-A755 HydrophobicContact CD1-CB 3.79Å; L637-A755 HydrophobicContact CD2-CB 4.34Å; L637-A755 HydrophobicContact CG-CB 3.93Å; L637-A755 PolarHBondContact N-O 2.92Å; L637-A755 PolarHBondContact O-N 3.41Å; L637-T757 HydrophobicContact CD2-CG2 4.19Å
638R94.5Very high88.6Confident71 Ų7139.8 Ų39.827%0.26823%0.232SC..EExtended strand (participates in β ladder)trans-128.2130.9172.7-177.1-166.283.2-163.5-7.3108.3S630 L631 D640 R752 I753 V754S630-R638 CarbonylContact C-O 3.49Å; S630-R638 WeakPolarHBondContact CA-O 3.46Å; L631-R638 HydrophobicContact CB-CB 4.04Å; L631-R638 PolarHBondContact N-O 3.34Å; L631-R638 PolarHBondContact O-N 3.31Å; R638-D640 IonicContact NE-OD2 2.64Å; R638-R752 VanDerWaalsContact CD-NE 3.34Å; R638-R752 HydrophobicContact CG-CG 3.89Å; R638-I753 CarbonylContact C-O 3.55Å; R638-I753 VanDerWaalsContact CA-O 3.32Å; R638-I753 WeakPolarHBondContact CA-O 3.48Å; R638-V754 HydrophobicContact CG-CG2 4.24Å
639F94.6Very high89Confident0 Ų037 Ų370%022%0.222CC..EExtended strand (participates in β ladder)trans-130.8118.4-176.4-168.9-102.4000110T611 L614 N615 L618 Q627 F641 R752 I753T611-F639 HydrophobicContact CG2-CD2 3.61Å; T611-F639 HydrophobicContact CG2-CE2 3.98Å; L614-F639 HydrophobicContact CD2-CB 3.68Å; L614-F639 HydrophobicContact CD2-CD1 4.22Å; L614-F639 HydrophobicContact CD2-CG 4Å; L614-F639 HydrophobicContact CG-CD1 4.43Å; N615-F639 HydrophobicContact CB-CE2 4.11Å; N615-F639 HydrophobicContact CB-CZ 3.71Å; L618-F639 HydrophobicContact CD1-CD1 3.59Å; L618-F639 HydrophobicContact CD1-CE1 3.54Å; Q627-F639 HydrophobicContact CB-CE2 4.18Å; Q627-F639 HydrophobicContact CB-CZ 3.88Å; Q627-F639 HydrophobicContact CG-CE2 3.76Å; Q627-F639 HydrophobicContact CG-CZ 3.97Å; F639-F641 HydrophobicContact CD1-CB 4.15Å; F639-F641 AromaticContact CD1-CD1 3.97Å; F639-F641 HydrophobicContact CD1-CD1 3.97Å; F639-F641 HydrophobicContact CD1-CG 4.37Å; F639-F641 HydrophobicContact CE1-CB 3.78Å; F639-F641 HydrophobicContact CE1-CD1 4.37Å; F639-F641 HydrophobicContact CE1-CG 4.31Å; F639-R752 WeakPolarHBondContact O-CA 3.33Å; F639-I753 PolarHBondContact N-O 3.19Å; F639-I753 PolarHBondContact O-N 3.23Å
640D92.2Very high89.5Confident9 Ų942.1 Ų42.15%0.04825%0.245CC..EExtended strand (participates in β ladder)trans-102.1133.2178.1-58.2-19.3000108.2Q627 K628 G629 R638 I750 R751 R752Q627-D640 CarbonylContact C-O 3.59Å; K628-D640 HydrophobicContact CB-CB 4.22Å; K628-D640 PolarHBondContact N-O 3.48Å; G629-D640 PolarHBondContact N-O 3.16Å; G629-D640 PolarHBondContact O-N 3.14Å; R638-D640 IonicContact NE-OD2 2.64Å; D640-I750 HydrophobicContact CB-CG2 4.45Å; D640-R751 CarbonylContact C-O 3.59Å; D640-R751 VanDerWaalsContact CA-O 3.31Å; D640-R751 WeakPolarHBondContact CA-O 3.3Å; D640-R752 WeakPolarHBondContact OD1-CB 3.49Å; D640-R752 VanDerWaalsContact OD1-CG 3.32Å; D640-R752 WeakPolarHBondContact OD1-CG 3.41Å; D640-R752 IonicContact OD1-CZ 3.24Å; D640-R752 IonicContact OD1-NE 3.39Å; D640-R752 PolarHBondContact OD1-NE 3.44Å; D640-R752 IonicContact OD1-NH2 2.78Å; D640-R752 PolarHBondContact OD1-NH2 2.69Å; D640-R752 IonicContact OD2-CZ 3.87Å; D640-R752 IonicContact OD2-NE 2.84Å; D640-R752 IonicContact OD2-NH2 3.05Å; D640-R752 PolarHBondContact OD2-NH2 3.43Å
641F90.4Very high89.7Confident0 Ų044.1 Ų44.10%025%0.251CS..EExtended strand (participates in β ladder)trans-148.6158.1-175.165.3-74.9000112.5L618 V626 F639 A643 L647 I750 R751 I753L618-F641 HydrophobicContact CD1-CD1 4.09Å; L618-F641 HydrophobicContact CD1-CD2 4.38Å; L618-F641 HydrophobicContact CD1-CE1 4.25Å; L618-F641 HydrophobicContact CD1-CG 4.17Å; L618-F641 HydrophobicContact CD1-CZ 4.44Å; L618-F641 HydrophobicContact CD2-CE2 4.1Å; L618-F641 HydrophobicContact CD2-CZ 4.05Å; V626-F641 CarbonylContact O-C 3.53Å; V626-F641 WeakPolarHBondContact O-CA 3.13Å; F639-F641 HydrophobicContact CD1-CB 4.15Å; F639-F641 AromaticContact CD1-CD1 3.97Å; F639-F641 HydrophobicContact CD1-CD1 3.97Å; F639-F641 HydrophobicContact CD1-CG 4.37Å; F639-F641 HydrophobicContact CE1-CB 3.78Å; F639-F641 HydrophobicContact CE1-CD1 4.37Å; F639-F641 HydrophobicContact CE1-CG 4.31Å; F641-A643 HydrophobicContact CD2-CB 4.22Å; F641-A643 HydrophobicContact CE2-CB 3.85Å; F641-L647 HydrophobicContact CE2-CD1 3.85Å; F641-L647 HydrophobicContact CZ-CD1 3.53Å; F641-I750 WeakPolarHBondContact O-CA 3.39Å; F641-R751 HydrophobicContact CD1-CB 4.29Å; F641-R751 WeakPolarHBondContact CD1-O 3.4Å; F641-R751 HydrophobicContact CE1-CB 3.7Å; F641-R751 HydrophobicContact CE2-CB 4.11Å; F641-R751 HydrophobicContact CZ-CB 3.61Å; F641-R751 HydrophobicContact CZ-CG 4.39Å; F641-R751 PolarHBondContact N-O 3.39Å; F641-R751 PolarHBondContact O-N 2.88Å; F641-I753 HydrophobicContact CE1-CB 4.42Å; F641-I753 HydrophobicContact CE1-CD1 3.63Å; F641-I753 HydrophobicContact CE1-CG1 3.84Å; F641-I753 HydrophobicContact CZ-CD1 3.91Å; F641-I753 HydrophobicContact CZ-CG1 4.41Å
642S87.3Confident90.1Very high24 Ų2442.6 Ų42.617%0.16824%0.243CC..EExtended strand (participates in β ladder)trans-76.5126.8174.153.80000111.8E624 S625 V626 G749E624-S642 PolarHBondContact O-OG 2.94Å; S625-S642 WeakPolarHBondContact CA-O 3.39Å; V626-S642 WeakPolarHBondContact CB-OG 3.21Å; V626-S642 PolarHBondContact N-OG 3.24Å; V626-S642 PolarHBondContact O-N 3.05Å; V626-S642 PolarHBondContact O-OG 3Å; S642-G749 VanDerWaalsContact CA-O 3.32Å; S642-G749 WeakPolarHBondContact CA-O 3.44Å
643A84.2Confident90.2Very high10 Ų1046 Ų468%0.08326%0.258CS..  trans-153.5141.9166.400000109.8V622 F641 S645 G749 R751V622-A643 HydrophobicContact CG1-CB 4.09Å; F641-A643 HydrophobicContact CD2-CB 4.22Å; F641-A643 HydrophobicContact CE2-CB 3.85Å; A643-S645 VanDerWaalsContact C-N 3.32Å; A643-S645 PolarHBondContact O-N 2.76Å; A643-G749 PolarHBondContact N-O 3.06Å; A643-G749 VanDerWaalsContact N-O 3.08Å; A643-G749 CarbonylContact O-C 3.59Å; A643-G749 WeakPolarHBondContact O-CA 3.28Å; A643-R751 HydrophobicContact CB-CG 3.78Å
644S79.6Confident90.8Very high120 Ų12047.7 Ų47.784%0.83927%0.269SS*.SBendtrans-69.7-27.6-177.952.60000113.3
645S85.5Confident91.4Very high77 Ų7746.1 Ų46.154%0.53826%0.259SS..SBendtrans-140167.7178.665.20000111.6A643A643-S645 VanDerWaalsContact C-N 3.32Å; A643-S645 PolarHBondContact O-N 2.76Å
646G89.5Confident92.2Very high28 Ų2842.4 Ų42.429%0.28924%0.239SC..PPolyproline II helixtrans-63.4150167.700000112R751G646-R751 VanDerWaalsContact CA-NH2 3.31Å
647L92.5Very high92.6Very high16 Ų1642.2 Ų42.28%0.08424%0.243CC..PPolyproline II helixtrans-75.8142.3177.2-7675.1000109.4L618 V622 F641 Q651 I652 E743L618-L647 HydrophobicContact CD2-CD2 3.97Å; V622-L647 HydrophobicContact CG2-CD2 4.38Å; V622-L647 HydrophobicContact CG2-CG 4.4Å; F641-L647 HydrophobicContact CE2-CD1 3.85Å; F641-L647 HydrophobicContact CZ-CD1 3.53Å; L647-Q651 HydrophobicContact CB-CB 4.2Å; L647-Q651 HydrophobicContact CD2-CB 4.39Å; L647-Q651 HydrophobicContact CG-CB 4.48Å; L647-I652 HydrophobicContact CB-CD1 4.32Å; L647-I652 HydrophobicContact CB-CG1 3.77Å; L647-I652 HydrophobicContact CD2-CG1 4.39Å; L647-E743 HydrophobicContact CB-CG 4.48Å; L647-E743 HydrophobicContact CD1-CG 4.34Å
648T94Very high92.6Very high75 Ų7543.7 Ų43.746%0.4625%0.25SS..PPolyproline II helixtrans-73.5158170.672.10000110.8D650 Q651 I652T648-D650 PolarHBondContact O-N 2.91Å; T648-Q651 WeakPolarHBondContact O-CB 3.48Å; T648-Q651 PolarHBondContact O-N 2.52Å; T648-Q651 WeakPolarHBondContact OG1-CG 3.32Å; T648-Q651 PolarHBondContact OG1-N 2.8Å; T648-I652 WeakPolarHBondContact O-CG1 3.07Å; T648-I652 PolarHBondContact O-N 2.78Å
649N93.3Very high92.7Very high43 Ų4340.3 Ų40.323%0.2324%0.237CC..Hα-helixtrans-54-37.6174.2-77.5-30.7000112.9I652 K653 W815 E818N649-I652 PolarHBondContact O-N 3.08Å; N649-K653 VanDerWaalsContact O-CB 3.29Å; N649-K653 WeakPolarHBondContact O-CB 3.42Å; N649-K653 PolarHBondContact O-N 3.09Å; N649-W815 HydrophobicContact CB-CB 3.96Å; N649-E818 VanDerWaalsContact CG-OE2 3.3Å; N649-E818 PolarHBondContact ND2-OE2 3.21Å; N649-E818 PolarHBondContact OD1-OE2 3.38Å; N649-E818 VanDerWaalsContact OD1-OE2 3.1Å
650D95.1Very high92.8Very high127 Ų12742.6 Ų42.668%0.67925%0.25SC*.Hα-helixtrans-66.4-38.2176-68.8-30.1000112.2T648 C654T648-D650 PolarHBondContact O-N 2.91Å; D650-C654 WeakPolarHBondContact O-CB 3.27Å; D650-C654 PolarHBondContact O-N 3.41Å
651Q95.2Very high93Very high61 Ų6148.6 Ų48.629%0.28528%0.275SS..Hα-helixtrans-66.5-45.9175.4-74175.2-46.300111.4I621 L647 T648 K653 C654 V655I621-Q651 HydrophobicContact CG2-CB 3.78Å; I621-Q651 HydrophobicContact CG2-CG 3.73Å; L647-Q651 HydrophobicContact CB-CB 4.2Å; L647-Q651 HydrophobicContact CD2-CB 4.39Å; L647-Q651 HydrophobicContact CG-CB 4.48Å; T648-Q651 WeakPolarHBondContact O-CB 3.48Å; T648-Q651 PolarHBondContact O-N 2.52Å; T648-Q651 WeakPolarHBondContact OG1-CG 3.32Å; T648-Q651 PolarHBondContact OG1-N 2.8Å; Q651-K653 VanDerWaalsContact C-N 3.32Å; Q651-K653 PolarHBondContact O-N 3.22Å; Q651-C654 PolarHBondContact O-N 3.05Å; Q651-V655 WeakPolarHBondContact O-CG2 3.27Å; Q651-V655 PolarHBondContact O-N 2.76Å
652I95.8Very high93.2Very high4 Ų450 Ų502%0.02128%0.282CS..Hα-helixtrans-59.8-46177.2-63.6173.1000110.3L647 T648 N649 C654 V655 E656 I740 E743L647-I652 HydrophobicContact CB-CD1 4.32Å; L647-I652 HydrophobicContact CB-CG1 3.77Å; L647-I652 HydrophobicContact CD2-CG1 4.39Å; T648-I652 WeakPolarHBondContact O-CG1 3.07Å; T648-I652 PolarHBondContact O-N 2.78Å; N649-I652 PolarHBondContact O-N 3.08Å; I652-C654 VanDerWaalsContact C-N 3.34Å; I652-C654 PolarHBondContact O-N 3.3Å; I652-V655 PolarHBondContact O-N 3.42Å; I652-E656 PolarHBondContact O-N 2.72Å; I652-E656 VanDerWaalsContact O-N 3.07Å; I652-I740 HydrophobicContact CG2-CB 4.13Å; I652-I740 HydrophobicContact CG2-CD1 3.97Å; I652-I740 HydrophobicContact CG2-CG2 4.07Å; I652-E743 HydrophobicContact CD1-CB 3.84Å; I652-E743 HydrophobicContact CD1-CG 4.16Å
653K96.6Very high93.6Very high71 Ų7149.4 Ų49.431%0.30928%0.278SS..Hα-helixtrans-58.5-45175.9-178.1-178.6177-163.70111.8N649 Q651 V655 E656 E657 W815N649-K653 VanDerWaalsContact O-CB 3.29Å; N649-K653 WeakPolarHBondContact O-CB 3.42Å; N649-K653 PolarHBondContact O-N 3.09Å; Q651-K653 VanDerWaalsContact C-N 3.32Å; Q651-K653 PolarHBondContact O-N 3.22Å; K653-V655 VanDerWaalsContact C-N 3.33Å; K653-V655 PolarHBondContact O-N 3.43Å; K653-E656 PolarHBondContact O-N 2.95Å; K653-E657 WeakPolarHBondContact CE-OE1 3.42Å; K653-E657 IonicContact NZ-OE1 3.15Å; K653-E657 WeakPolarHBondContact O-CG 3.48Å; K653-E657 PolarHBondContact O-N 3.12Å; K653-W815 HydrophobicContact CB-CD2 3.92Å; K653-W815 HydrophobicContact CB-CG 4Å; K653-W815 HydrophobicContact CD-CD2 4.22Å; K653-W815 HydrophobicContact CD-CE3 4.1Å; K653-W815 HydrophobicContact CD-CH2 3.99Å; K653-W815 HydrophobicContact CD-CZ2 4.09Å; K653-W815 HydrophobicContact CD-CZ3 3.99Å; K653-W815 HydrophobicContact CG-CD2 4.07Å; K653-W815 HydrophobicContact CG-CE3 4.46Å; K653-W815 HydrophobicContact CG-CH2 4.3Å; K653-W815 HydrophobicContact CG-CZ2 3.88Å
654C96.8Very high94.2Very high45 Ų4553 Ų5330%0.30431%0.308SS..Hα-helixtrans-62.3-40178.4-165.70000112I621 D650 Q651 I652 E657 I658I621-C654 HydrophobicContact CD1-CB 4.07Å; I621-C654 VanDerWaalsContact CD1-SG 3.56Å; D650-C654 WeakPolarHBondContact O-CB 3.27Å; D650-C654 PolarHBondContact O-N 3.41Å; Q651-C654 PolarHBondContact O-N 3.05Å; I652-C654 VanDerWaalsContact C-N 3.34Å; I652-C654 PolarHBondContact O-N 3.3Å; C654-E657 PolarHBondContact O-N 3.31Å; C654-I658 VanDerWaalsContact O-CG1 3.29Å; C654-I658 WeakPolarHBondContact O-CG1 3.48Å; C654-I658 PolarHBondContact O-N 3.02Å
655V96.6Very high94.9Very high0 Ų052.5 Ų52.50%029%0.292CS..Hα-helixtrans-60-47.5173.91730000111.1L614 A617 L618 I621 Q651 I652 K653 E657 I658 I659 I740L614-V655 HydrophobicContact CD1-CG1 3.57Å; A617-V655 HydrophobicContact CB-CG1 4.02Å; L618-V655 HydrophobicContact CD2-CG2 4.08Å; I621-V655 HydrophobicContact CB-CG2 4.26Å; I621-V655 HydrophobicContact CG1-CG2 3.81Å; Q651-V655 WeakPolarHBondContact O-CG2 3.27Å; Q651-V655 PolarHBondContact O-N 2.76Å; I652-V655 PolarHBondContact O-N 3.42Å; K653-V655 VanDerWaalsContact C-N 3.33Å; K653-V655 PolarHBondContact O-N 3.43Å; V655-E657 PolarHBondContact O-N 3.09Å; V655-I658 PolarHBondContact O-N 3.39Å; V655-I659 HydrophobicContact CG1-CD1 3.9Å; V655-I659 WeakPolarHBondContact O-CG1 3.28Å; V655-I659 PolarHBondContact O-N 3.1Å; V655-I659 VanDerWaalsContact O-N 3.14Å; V655-I740 HydrophobicContact CB-CD1 4.28Å; V655-I740 HydrophobicContact CG1-CD1 3.89Å
656E97.2Very high95.3Very high4 Ų451.5 Ų51.52%0.01928%0.281CS..Hα-helixtrans-59.8-43.9175.5-73.1-171.9166.200112.1I652 K653 I658 I659 L660 F738 V739 I740 S813 W815I652-E656 PolarHBondContact O-N 2.72Å; I652-E656 VanDerWaalsContact O-N 3.07Å; K653-E656 PolarHBondContact O-N 2.95Å; E656-I658 PolarHBondContact O-N 3.39Å; E656-I659 PolarHBondContact O-N 3.37Å; E656-L660 WeakPolarHBondContact O-CB 3.47Å; E656-L660 VanDerWaalsContact O-CG 3.23Å; E656-L660 WeakPolarHBondContact O-CG 3.42Å; E656-L660 PolarHBondContact O-N 2.86Å; E656-F738 HydrophobicContact CG-CD1 4.35Å; E656-F738 HydrophobicContact CG-CE1 4.32Å; E656-V739 WeakPolarHBondContact OE1-CA 3.4Å; E656-I740 HydrophobicContact CG-CB 4.34Å; E656-I740 HydrophobicContact CG-CD1 3.92Å; E656-I740 HydrophobicContact CG-CG1 3.9Å; E656-I740 PolarHBondContact OE1-N 2.97Å; E656-S813 WeakPolarHBondContact OE1-CB 3.48Å; E656-S813 PolarHBondContact OE1-OG 2.78Å; E656-S813 PolarHBondContact OE2-OG 2.88Å; E656-W815 PolarHBondContact OE2-NE1 2.97Å
657E97Very high95.5Very high102 Ų10251.1 Ų51.148%0.47728%0.275SS..Hα-helixtrans-62.3-41.9179.5-74.5175.516900112.4K653 C654 V655 L660 K661K653-E657 WeakPolarHBondContact CE-OE1 3.42Å; K653-E657 IonicContact NZ-OE1 3.15Å; K653-E657 WeakPolarHBondContact O-CG 3.48Å; K653-E657 PolarHBondContact O-N 3.12Å; C654-E657 PolarHBondContact O-N 3.31Å; V655-E657 PolarHBondContact O-N 3.09Å; E657-L660 PolarHBondContact O-N 3.48Å; E657-K661 WeakPolarHBondContact O-CB 3.21Å; E657-K661 PolarHBondContact O-N 2.85Å
658I95.9Very high95.7Very high30 Ų3052.3 Ų52.315%0.15428%0.284CS..Hα-helixtrans-59.9-48.3174.8-68.9163.1000110.1A617 E620 I621 C654 V655 E656 K661 L662A617-I658 HydrophobicContact CB-CB 4.05Å; A617-I658 HydrophobicContact CB-CD1 4.45Å; A617-I658 HydrophobicContact CB-CG2 3.7Å; E620-I658 HydrophobicContact CB-CD1 4.45Å; I621-I658 HydrophobicContact CD1-CD1 4.04Å; I621-I658 HydrophobicContact CG1-CD1 4.2Å; C654-I658 VanDerWaalsContact O-CG1 3.29Å; C654-I658 WeakPolarHBondContact O-CG1 3.48Å; C654-I658 PolarHBondContact O-N 3.02Å; V655-I658 PolarHBondContact O-N 3.39Å; E656-I658 PolarHBondContact O-N 3.39Å; I658-K661 WeakPolarHBondContact O-CB 3.44Å; I658-K661 PolarHBondContact O-N 3.25Å; I658-L662 HydrophobicContact CG2-CD1 4.13Å; I658-L662 WeakPolarHBondContact O-CG 3.31Å; I658-L662 PolarHBondContact O-N 3Å
659I97.1Very high95.8Very high0 Ų049.2 Ų49.20%026%0.264CS..Hα-helixtrans-64.4-46.2-178.3-65.5165.1000110.7L613 L614 A617 V655 E656 K661 L662 V663 F738L613-I659 HydrophobicContact CB-CG1 4.27Å; L613-I659 HydrophobicContact CB-CG2 4.34Å; L613-I659 HydrophobicContact CD1-CG2 4.34Å; L614-I659 HydrophobicContact CB-CD1 4.07Å; L614-I659 HydrophobicContact CD1-CD1 3.93Å; A617-I659 HydrophobicContact CB-CD1 4.33Å; A617-I659 HydrophobicContact CB-CG1 3.94Å; V655-I659 HydrophobicContact CG1-CD1 3.9Å; V655-I659 WeakPolarHBondContact O-CG1 3.28Å; V655-I659 PolarHBondContact O-N 3.1Å; V655-I659 VanDerWaalsContact O-N 3.14Å; E656-I659 PolarHBondContact O-N 3.37Å; I659-K661 VanDerWaalsContact C-N 3.28Å; I659-K661 PolarHBondContact O-N 3.1Å; I659-L662 WeakPolarHBondContact O-CB 3.44Å; I659-L662 PolarHBondContact O-N 3.41Å; I659-L662 VanDerWaalsContact O-N 3.14Å; I659-V663 HydrophobicContact CG2-CG2 4.39Å; I659-V663 VanDerWaalsContact O-CG2 3.32Å; I659-V663 WeakPolarHBondContact O-CG2 3.49Å; I659-V663 PolarHBondContact O-N 3.31Å; I659-F738 HydrophobicContact CB-CD1 4.18Å; I659-F738 HydrophobicContact CB-CG 4.45Å; I659-F738 HydrophobicContact CD1-CD1 3.85Å; I659-F738 HydrophobicContact CD1-CE1 3.31Å; I659-F738 HydrophobicContact CD1-CE2 4.09Å; I659-F738 HydrophobicContact CD1-CG 4.45Å; I659-F738 HydrophobicContact CD1-CZ 3.47Å; I659-F738 VanDerWaalsContact CD1-CZ 3.47Å; I659-F738 HydrophobicContact CG1-CE1 4.5Å; I659-F738 HydrophobicContact CG2-CB 3.92Å; I659-F738 HydrophobicContact CG2-CD1 3.9Å; I659-F738 HydrophobicContact CG2-CD2 3.99Å; I659-F738 HydrophobicContact CG2-CE1 4.43Å; I659-F738 HydrophobicContact CG2-CE2 4.5Å; I659-F738 HydrophobicContact CG2-CG 3.66Å
660L97Very high95.9Very high49 Ų4951.1 Ų51.126%0.25727%0.269SS..Hα-helixtrans-63.7-34.5179.1-68165.7000112.3E656 E657 V663 A664 F738E656-L660 WeakPolarHBondContact O-CB 3.47Å; E656-L660 VanDerWaalsContact O-CG 3.23Å; E656-L660 WeakPolarHBondContact O-CG 3.42Å; E656-L660 PolarHBondContact O-N 2.86Å; E657-L660 PolarHBondContact O-N 3.48Å; L660-V663 PolarHBondContact O-N 3.2Å; L660-A664 WeakPolarHBondContact O-CB 3.25Å; L660-A664 PolarHBondContact O-N 3.29Å; L660-F738 HydrophobicContact CD2-CB 4.26Å
661K96.6Very high95.9Very high135 Ų13547.5 Ų47.559%0.58725%0.248SC*.Hα-helixtrans-62.2-47.3172.1-177.4-173.6171.5-166.40111.1E657 I658 I659 V663 A664 E665E657-K661 WeakPolarHBondContact O-CB 3.21Å; E657-K661 PolarHBondContact O-N 2.85Å; I658-K661 WeakPolarHBondContact O-CB 3.44Å; I658-K661 PolarHBondContact O-N 3.25Å; I659-K661 VanDerWaalsContact C-N 3.28Å; I659-K661 PolarHBondContact O-N 3.1Å; K661-V663 VanDerWaalsContact C-N 3.31Å; K661-V663 PolarHBondContact O-N 3.19Å; K661-A664 WeakPolarHBondContact O-CB 3.47Å; K661-A664 PolarHBondContact O-N 3.43Å; K661-A664 VanDerWaalsContact O-N 3.14Å; K661-E665 WeakPolarHBondContact CE-OE1 3.26Å; K661-E665 WeakPolarHBondContact O-CG 3.24Å; K661-E665 PolarHBondContact O-N 3Å
662L94.9Very high95.7Very high28 Ų2846.7 Ų46.715%0.14725%0.25CC..Hα-helixtrans-62.5-38.1176.5-65.8169.4000111.9L613 F616 I658 I659 E665 N666 V732L613-L662 HydrophobicContact CD1-CB 4.33Å; L613-L662 HydrophobicContact CD2-CD1 4.15Å; F616-L662 HydrophobicContact CD1-CD1 4.03Å; F616-L662 HydrophobicContact CE1-CD1 4.29Å; I658-L662 HydrophobicContact CG2-CD1 4.13Å; I658-L662 WeakPolarHBondContact O-CG 3.31Å; I658-L662 PolarHBondContact O-N 3Å; I659-L662 WeakPolarHBondContact O-CB 3.44Å; I659-L662 PolarHBondContact O-N 3.41Å; I659-L662 VanDerWaalsContact O-N 3.14Å; L662-E665 PolarHBondContact O-N 2.97Å; L662-N666 PolarHBondContact O-N 3.02Å; L662-V732 HydrophobicContact CB-CG1 4.43Å; L662-V732 WeakPolarHBondContact O-CG1 3.3Å
663V95.8Very high95.6Very high12 Ų1252.6 Ų52.67%0.07328%0.277CS..Hα-helixtrans-59.3-45.5171.7174.10000111.1I659 L660 K661 E665 N666 V732 G733 I735I659-V663 HydrophobicContact CG2-CG2 4.39Å; I659-V663 VanDerWaalsContact O-CG2 3.32Å; I659-V663 WeakPolarHBondContact O-CG2 3.49Å; I659-V663 PolarHBondContact O-N 3.31Å; L660-V663 PolarHBondContact O-N 3.2Å; K661-V663 VanDerWaalsContact C-N 3.31Å; K661-V663 PolarHBondContact O-N 3.19Å; V663-E665 PolarHBondContact O-N 2.8Å; V663-N666 PolarHBondContact O-N 2.86Å; V663-V732 HydrophobicContact CG2-CG1 4.29Å; V663-G733 WeakPolarHBondContact O-CA 3.18Å; V663-I735 HydrophobicContact CG2-CB 3.98Å; V663-I735 HydrophobicContact CG2-CD1 4.13Å; V663-I735 HydrophobicContact CG2-CG2 4.09Å
664A95.8Very high95.2Very high86 Ų8649.7 Ų49.771%0.71127%0.265SS*.Hα-helixtrans-66.9-34.5178.400000113.4L660 K661 N666L660-A664 WeakPolarHBondContact O-CB 3.25Å; L660-A664 PolarHBondContact O-N 3.29Å; K661-A664 WeakPolarHBondContact O-CB 3.47Å; K661-A664 PolarHBondContact O-N 3.43Å; K661-A664 VanDerWaalsContact O-N 3.14Å; A664-N666 PolarHBondContact O-N 2.81Å
665E94.4Very high94.9Very high109 Ų10950.9 Ų50.951%0.50927%0.272SS..Hα-helixtrans-63.7-24.4174.8-73173-170.500112.5K661 L662 V663 A667K661-E665 WeakPolarHBondContact CE-OE1 3.26Å; K661-E665 WeakPolarHBondContact O-CG 3.24Å; K661-E665 PolarHBondContact O-N 3Å; L662-E665 PolarHBondContact O-N 2.97Å; V663-E665 PolarHBondContact O-N 2.8Å; E665-A667 PolarHBondContact O-N 3.14Å; E665-A667 VanDerWaalsContact O-N 3.1Å
666N94.4Very high94.5Very high57 Ų5752.1 Ų52.131%0.30528%0.278SS..THydrogen-bonded Turntrans51.536.3174.7-165.624.2000113.8L662 V663 A664 R731 G733L662-N666 PolarHBondContact O-N 3.02Å; V663-N666 PolarHBondContact O-N 2.86Å; A664-N666 PolarHBondContact O-N 2.81Å; N666-R731 PolarHBondContact O-NH1 2.85Å; N666-R731 WeakPolarHBondContact OD1-CB 3.32Å; N666-G733 WeakPolarHBondContact OD1-CA 3.44Å; N666-G733 PolarHBondContact OD1-N 3.18Å
667A94.3Very high94Very high20 Ų2056 Ų5617%0.16531%0.306CS..  trans-60.3147.6-179.300000111.3E665 V702 R731 V732E665-A667 PolarHBondContact O-N 3.14Å; E665-A667 VanDerWaalsContact O-N 3.1Å; A667-V702 HydrophobicContact CB-CG1 4.25Å; A667-R731 WeakPolarHBondContact O-CA 3.39Å; A667-V732 PolarHBondContact O-N 3.46Å
668P95.4Very high93.5Very high41 Ų4152.4 Ų52.427%0.26629%0.294SS..BIsolated β-bridgetrans-64.8148.2172.727.1-33.8000111.4Y670 G703 H730P668-Y670 HydrophobicContact CB-CE2 3.96Å; P668-Y670 HydrophobicContact CG-CE2 3.58Å; P668-Y670 WeakPolarHBondContact CG-OH 3.36Å; P668-G703 PolarHBondContact O-N 3.2Å; P668-H730 CarbonylContact C-O 3.3Å; P668-H730 WeakPolarHBondContact CA-O 3.35Å
669V96.4Very high93.1Very high9 Ų951 Ų516%0.05529%0.286CS..EExtended strand (participates in β ladder)trans-106.7119.6172.5-178.30000107.9T609 V700 V702 H728 L729 H730 V732T609-V669 HydrophobicContact CG2-CG2 4.17Å; V669-V700 HydrophobicContact CG1-CG1 3.81Å; V669-V702 HydrophobicContact CG2-CG2 4.47Å; V669-H728 HydrophobicContact CG1-CB 4.39Å; V669-L729 WeakPolarHBondContact CB-O 3.39Å; V669-L729 WeakPolarHBondContact CG1-O 3.46Å; V669-L729 VanDerWaalsContact CG2-O 3.3Å; V669-L729 WeakPolarHBondContact CG2-O 3.42Å; V669-H730 PolarHBondContact N-O 2.99Å; V669-V732 HydrophobicContact CG2-CG2 3.72Å
670Y95.8Very high92.5Very high84 Ų8456.6 Ų56.633%0.32931%0.311SS..EExtended strand (participates in β ladder)trans-98.1138.3179.9-63.4-80.9000110.3P668 V700 S701 Y704 P705P668-Y670 HydrophobicContact CB-CE2 3.96Å; P668-Y670 HydrophobicContact CG-CE2 3.58Å; P668-Y670 WeakPolarHBondContact CG-OH 3.36Å; Y670-V700 WeakPolarHBondContact O-CA 3.15Å; Y670-S701 PolarHBondContact N-O 3.46Å; Y670-S701 PolarHBondContact O-N 3.37Å; Y670-Y704 WeakPolarHBondContact CD2-O 3.46Å; Y670-P705 HydrophobicContact CD1-CB 4.28Å; Y670-P705 HydrophobicContact CD1-CG 4.29Å; Y670-P705 HydrophobicContact CD2-CG 4.41Å; Y670-P705 HydrophobicContact CE1-CB 4.29Å; Y670-P705 HydrophobicContact CE1-CG 3.83Å; Y670-P705 HydrophobicContact CE2-CG 3.94Å; Y670-P705 HydrophobicContact CG-CB 4.47Å
671M94.6Very high91.9Very high50 Ų5058.8 Ų58.825%0.24633%0.326CS..EExtended strand (participates in β ladder)trans-136.4121.3179.1-63.1160.4-77.200108.1R698 V699 V700 H728M671-R698 PolarHBondContact SD-NH2 3.04Å; M671-V699 WeakPolarHBondContact CA-O 3.39Å; M671-V700 HydrophobicContact CG-CG1 4.3Å; M671-V700 HydrophobicContact CG-CG2 4.19Å; M671-H728 HydrophobicContact SD-CB 3.85Å
672S92.3Very high91.4Very high45 Ų4552.7 Ų52.732%0.31530%0.3SS..EExtended strand (participates in β ladder)trans-152.3164.9174.474.90000111.3V699 I706S672-V699 PolarHBondContact N-O 3.4Å; S672-V699 PolarHBondContact O-N 2.97Å; S672-I706 WeakPolarHBondContact OG-CB 3.32Å; S672-I706 WeakPolarHBondContact OG-CG1 3.41Å
673E91.8Very high91Very high128 Ų12853.8 Ų53.860%0.59831%0.309SS*.EExtended strand (participates in β ladder)trans-87.8148.9169.6-69.7-175.817100110.7P696 V697 R698E673-P696 HydrophobicContact CB-CB 4.21Å; E673-V697 CarbonylContact C-O 3.47Å; E673-V697 VanDerWaalsContact CA-O 3.31Å; E673-V697 WeakPolarHBondContact CA-O 3.2Å; E673-R698 HydrophobicContact CG-CB 4.48Å
674M89.7Confident90.3Very high9 Ų953.8 Ų53.84%0.04431%0.312CS..EExtended strand (participates in β ladder)trans-148163.7172.370.1174.158.900110.4L676 G679 L682 P696 V697 V699 I706M674-L676 PolarHBondContact O-N 3.33Å; M674-G679 WeakPolarHBondContact SD-CA 3.46Å; M674-G679 PolarHBondContact SD-N 3.2Å; M674-L682 HydrophobicContact CE-CD1 4.41Å; M674-P696 CarbonylContact O-C 3.58Å; M674-P696 WeakPolarHBondContact O-CA 3.34Å; M674-P696 WeakPolarHBondContact O-CB 3.39Å; M674-V697 HydrophobicContact CG-CG1 3.92Å; M674-V697 PolarHBondContact N-O 3.09Å; M674-V697 PolarHBondContact O-N 3.47Å; M674-V699 HydrophobicContact CE-CB 3.86Å; M674-V699 HydrophobicContact CE-CG1 4.15Å; M674-V699 HydrophobicContact CE-CG2 3.48Å; M674-V699 VanDerWaalsContact CE-CG2 3.48Å; M674-V699 HydrophobicContact CG-CG2 3.67Å; M674-V699 HydrophobicContact SD-CG2 3.6Å; M674-V699 VanDerWaalsContact SD-CG2 3.6Å; M674-I706 HydrophobicContact CE-CB 4.26Å; M674-I706 HydrophobicContact CE-CD1 4.17Å; M674-I706 HydrophobicContact CE-CG1 4.34Å; M674-I706 HydrophobicContact CE-CG2 3.07Å
675P90.6Very high89.8Confident71 Ų7150.2 Ų50.246%0.46128%0.281SS..  trans-57.6131.8168.4-23.834.7000111.3S677 A678 G679 D695P675-S677 PolarHBondContact O-N 3.35Å; P675-A678 HydrophobicContact CB-CB 4.27Å; P675-A678 WeakPolarHBondContact O-CB 3.35Å; P675-A678 PolarHBondContact O-N 2.96Å; P675-G679 PolarHBondContact O-N 2.94Å; P675-G679 VanDerWaalsContact O-N 3.12Å; P675-D695 WeakPolarHBondContact CA-OD1 3.44Å
676L86.7Confident89.2Confident25 Ų2546.5 Ų46.513%0.13126%0.262CS..Hα-helixtrans-56.2-38.2-178.8177.361.2000112.3M674 A678 G679 K680 D695 V697 F723M674-L676 PolarHBondContact O-N 3.33Å; L676-A678 VanDerWaalsContact C-N 3.35Å; L676-A678 PolarHBondContact O-N 2.92Å; L676-G679 PolarHBondContact O-N 3Å; L676-K680 HydrophobicContact CD1-CD 4.47Å; L676-K680 HydrophobicContact CD1-CG 4.36Å; L676-K680 HydrophobicContact CG-CD 4.41Å; L676-K680 WeakPolarHBondContact O-CG 3.27Å; L676-K680 PolarHBondContact O-N 3.4Å; L676-K680 VanDerWaalsContact O-N 3.09Å; L676-D695 HydrophobicContact CB-CB 4Å; L676-D695 PolarHBondContact N-OD1 2.97Å; L676-V697 HydrophobicContact CB-CB 4.43Å; L676-V697 HydrophobicContact CB-CG1 4.28Å; L676-V697 HydrophobicContact CD1-CB 4.02Å; L676-V697 HydrophobicContact CD1-CG1 3.97Å; L676-V697 HydrophobicContact CD1-CG2 4.29Å; L676-F723 HydrophobicContact CD1-CD2 4.28Å; L676-F723 HydrophobicContact CD1-CE2 3.51Å; L676-F723 HydrophobicContact CD1-CZ 3.88Å
677S87.2Confident88.2Confident85 Ų8544.8 Ų44.859%0.59426%0.256SS*.Hα-helixtrans-60.9-41.2177.256.20000112.4P675 T681P675-S677 PolarHBondContact O-N 3.35Å; S677-T681 WeakPolarHBondContact O-CG2 3.23Å
678A87.6Confident86.9Confident27 Ų2746.2 Ų46.222%0.22326%0.259CS..Hα-helixtrans-68.6-44.8177.700000111P675 L676 K680 T681 L710P675-A678 HydrophobicContact CB-CB 4.27Å; P675-A678 WeakPolarHBondContact O-CB 3.35Å; P675-A678 PolarHBondContact O-N 2.96Å; L676-A678 VanDerWaalsContact C-N 3.35Å; L676-A678 PolarHBondContact O-N 2.92Å; A678-K680 VanDerWaalsContact C-N 3.33Å; A678-K680 PolarHBondContact O-N 3.49Å; A678-T681 WeakPolarHBondContact O-CB 3.36Å; A678-T681 PolarHBondContact O-N 3.44Å; A678-T681 PolarHBondContact O-OG1 3.1Å; A678-L710 HydrophobicContact CB-CD2 4.16Å
679G85.8Confident85.1Confident0 Ų050.6 Ų50.60%027%0.274CS..Hα-helixtrans-59.1-42.5178.800000113.2M674 P675 L676 T681 L682 L685M674-G679 WeakPolarHBondContact SD-CA 3.46Å; M674-G679 PolarHBondContact SD-N 3.2Å; P675-G679 PolarHBondContact O-N 2.94Å; P675-G679 VanDerWaalsContact O-N 3.12Å; L676-G679 PolarHBondContact O-N 3Å; G679-T681 PolarHBondContact O-N 3.19Å; G679-L682 WeakPolarHBondContact O-CB 3.29Å; G679-L682 PolarHBondContact O-N 3.27Å; G679-L685 WeakPolarHBondContact O-CD2 3.46Å
680K85.1Confident83.1Confident118 Ų11854.9 Ų54.951%0.51329%0.293SS..THydrogen-bonded Turntrans-61-13.9177.5-74.7-178.3176.3-176.20114L676 A678 F723L676-K680 HydrophobicContact CD1-CD 4.47Å; L676-K680 HydrophobicContact CD1-CG 4.36Å; L676-K680 HydrophobicContact CG-CD 4.41Å; L676-K680 WeakPolarHBondContact O-CG 3.27Å; L676-K680 PolarHBondContact O-N 3.4Å; L676-K680 VanDerWaalsContact O-N 3.09Å; A678-K680 VanDerWaalsContact C-N 3.33Å; A678-K680 PolarHBondContact O-N 3.49Å; K680-F723 HydrophobicContact CG-CE2 4.19Å; K680-F723 HydrophobicContact CG-CZ 4.32Å
681T84.7Confident81.6Confident95 Ų9555 Ų5558%0.58330%0.297SS*.THydrogen-bonded Turntrans-84.2-12.8175.771.10000114S677 A678 G679 P683S677-T681 WeakPolarHBondContact O-CG2 3.23Å; A678-T681 WeakPolarHBondContact O-CB 3.36Å; A678-T681 PolarHBondContact O-N 3.44Å; A678-T681 PolarHBondContact O-OG1 3.1Å; G679-T681 PolarHBondContact O-N 3.19Å; T681-P683 VanDerWaalsContact O-CD 3.25Å; T681-P683 WeakPolarHBondContact O-CD 3.36Å
682L86.9Confident80.3Confident7 Ų758 Ų584%0.03732%0.318CS..SBendtrans-72.8117.4-176-68.3176.5000111.6M674 G679 G684 L685 L709 L710 P713 V721M674-L682 HydrophobicContact CE-CD1 4.41Å; G679-L682 WeakPolarHBondContact O-CB 3.29Å; G679-L682 PolarHBondContact O-N 3.27Å; L682-G684 PolarHBondContact O-N 2.9Å; L682-L685 HydrophobicContact CB-CB 4.25Å; L682-L685 WeakPolarHBondContact O-CB 3.3Å; L682-L685 PolarHBondContact O-N 3.38Å; L682-L709 HydrophobicContact CD1-CB 4.47Å; L682-L709 HydrophobicContact CD2-CB 4.06Å; L682-L710 HydrophobicContact CD2-CD2 4.23Å; L682-P713 HydrophobicContact CD2-CB 4.36Å; L682-V721 HydrophobicContact CD1-CG1 4.25Å
683P84.9Confident79.5Confident52 Ų5257.5 Ų57.534%0.33831%0.31SS..THydrogen-bonded Turntrans-58.8128.8176.2-24.233.9000112T681 L685 P713 S716 M717T681-P683 VanDerWaalsContact O-CD 3.25Å; T681-P683 WeakPolarHBondContact O-CD 3.36Å; P683-L685 PolarHBondContact O-N 2.72Å; P683-P713 WeakPolarHBondContact CD-O 3.46Å; P683-P713 HydrophobicContact CG-CB 4.13Å; P683-S716 CarbonylContact O-C 3.31Å; P683-S716 VanDerWaalsContact O-CB 3.3Å; P683-S716 WeakPolarHBondContact O-CB 3.43Å; P683-S716 PolarHBondContact O-OG 2.77Å; P683-M717 HydrophobicContact CB-CG 3.77Å; P683-M717 HydrophobicContact CB-SD 4.15Å
684G82Confident78.8Confident12 Ų1254.9 Ų54.912%0.12430%0.303CS..THydrogen-bonded Turntrans75.19.3177.400000115.1L682 R686 M717L682-G684 PolarHBondContact O-N 2.9Å; G684-R686 VanDerWaalsContact O-CZ 3.32Å; G684-R686 PolarHBondContact O-N 2.98Å; G684-R686 PolarHBondContact O-NH1 3.35Å; G684-R686 PolarHBondContact O-NH2 3.25Å; G684-M717 WeakPolarHBondContact CA-SD 3.25Å; G684-M717 PolarHBondContact N-SD 3.34Å
685L86Confident78.5Confident11 Ų1158.8 Ų58.86%0.05833%0.325CS..  trans-49.4134.1161.6177.874.2000110.1G679 L682 P683 A687 V721 F723G679-L685 WeakPolarHBondContact O-CD2 3.46Å; L682-L685 HydrophobicContact CB-CB 4.25Å; L682-L685 WeakPolarHBondContact O-CB 3.3Å; L682-L685 PolarHBondContact O-N 3.38Å; P683-L685 PolarHBondContact O-N 2.72Å; L685-A687 HydrophobicContact CD2-CB 4.36Å; L685-V721 CarbonylContact C-O 3.5Å; L685-V721 WeakPolarHBondContact CA-O 3.49Å; L685-V721 HydrophobicContact CD1-CG1 3.97Å; L685-F723 HydrophobicContact CD1-CD1 3.74Å; L685-F723 HydrophobicContact CD1-CE1 3.82Å; L685-F723 HydrophobicContact CD1-CG 4.38Å; L685-F723 HydrophobicContact CD1-CZ 4.5Å; L685-F723 HydrophobicContact CD2-CD1 4.01Å; L685-F723 HydrophobicContact CD2-CD2 4.12Å; L685-F723 HydrophobicContact CD2-CE1 3.55Å; L685-F723 HydrophobicContact CD2-CE2 3.66Å; L685-F723 HydrophobicContact CD2-CG 4.3Å; L685-F723 HydrophobicContact CD2-CZ 3.37Å; L685-F723 HydrophobicContact CG-CD1 4.42Å; L685-F723 HydrophobicContact CG-CE1 4.32Å
686R81.1Confident78.4Confident31 Ų3158.6 Ų58.612%0.11732%0.323CS..BIsolated β-bridgetrans-94.8124.8165.8-53.2-78.4169.6-73.6-31.9108.7N615 R619 G684 V721 E722 F723N615-R686 WeakPolarHBondContact ND2-CD 3.16Å; N615-R686 WeakPolarHBondContact ND2-CG 3.39Å; R619-R686 VanDerWaalsContact CZ-NH1 3.34Å; R619-R686 VanDerWaalsContact NH1-CZ 3.35Å; G684-R686 VanDerWaalsContact O-CZ 3.32Å; G684-R686 PolarHBondContact O-N 2.98Å; G684-R686 PolarHBondContact O-NH1 3.35Å; G684-R686 PolarHBondContact O-NH2 3.25Å; R686-V721 PolarHBondContact N-O 2.64Å; R686-E722 HydrophobicContact CB-CB 3.98Å; R686-E722 HydrophobicContact CB-CG 3.57Å; R686-E722 HydrophobicContact CG-CG 3.9Å; R686-E722 WeakPolarHBondContact O-CA 3.04Å; R686-E722 WeakPolarHBondContact O-CB 3.39Å; R686-F723 PolarHBondContact O-N 3.16Å
687A73.3Confident78.5Confident21 Ų2157.5 Ų57.517%0.17432%0.318CS..  trans-152.1146.1171.300000106.1L685 F689 Y693 F723L685-A687 HydrophobicContact CD2-CB 4.36Å; A687-F689 HydrophobicContact CB-CD2 4.49Å; A687-F689 HydrophobicContact CB-CE1 4.34Å; A687-F689 HydrophobicContact CB-CE2 4.26Å; A687-F689 HydrophobicContact CB-CZ 4.19Å; A687-F689 VanDerWaalsContact O-CD2 3.3Å; A687-F689 WeakPolarHBondContact O-CD2 3.16Å; A687-F689 PolarHBondContact O-N 3.29Å; A687-F689 VanDerWaalsContact O-N 3.13Å; A687-Y693 HydrophobicContact CB-CE2 3.89Å; A687-F723 HydrophobicContact CB-CB 4.37Å; A687-F723 HydrophobicContact CB-CD2 3.64Å; A687-F723 HydrophobicContact CB-CE2 4.28Å; A687-F723 HydrophobicContact CB-CG 4.21Å
688E67.7Low78.8Confident50 Ų5054.7 Ų54.723%0.23429%0.294CS..  trans-77.995.6164.4-176.850.3-106.300106.4Q690 E691 Y693E688-Q690 HydrophobicContact CG-CB 4.36Å; E688-Q690 PolarHBondContact O-N 3.05Å; E688-Q690 WeakPolarHBondContact OE1-CG 3.36Å; E688-Q690 PolarHBondContact OE1-N 3.32Å; E688-E691 HydrophobicContact CB-CB 4.32Å; E688-E691 HydrophobicContact CB-CG 3.88Å; E688-E691 HydrophobicContact CG-CB 4.48Å; E688-E691 HydrophobicContact CG-CG 3.81Å; E688-E691 WeakPolarHBondContact O-CB 3.47Å; E688-E691 PolarHBondContact O-N 2.99Å; E688-Y693 PolarHBondContact N-OH 2.85Å; E688-Y693 WeakPolarHBondContact O-CE2 3.41Å
689F57.3Low79.1Confident133 Ų13353.4 Ų53.458%0.58328%0.283SS*.THydrogen-bonded Turntrans-65.7-8-173.6-71.7-82.1000113.3A687A687-F689 HydrophobicContact CB-CD2 4.49Å; A687-F689 HydrophobicContact CB-CE1 4.34Å; A687-F689 HydrophobicContact CB-CE2 4.26Å; A687-F689 HydrophobicContact CB-CZ 4.19Å; A687-F689 VanDerWaalsContact O-CD2 3.3Å; A687-F689 WeakPolarHBondContact O-CD2 3.16Å; A687-F689 PolarHBondContact O-N 3.29Å; A687-F689 VanDerWaalsContact O-N 3.13Å
690Q54.9Low79.6Confident98 Ų9853.6 Ų53.646%0.45828%0.284SS..THydrogen-bonded Turntrans-82.3-18.6170.4-56.1-172.2-6.500112.8H31 E688H31-Q690 VanDerWaalsContact CD2-C 3.47Å; H31-Q690 PolarHBondContact CD2-O 2.94Å; H31-Q690 PolarHBondContact NE2-O 2.92Å; E688-Q690 HydrophobicContact CG-CB 4.36Å; E688-Q690 PolarHBondContact O-N 3.05Å; E688-Q690 WeakPolarHBondContact OE1-CG 3.36Å; E688-Q690 PolarHBondContact OE1-N 3.32Å
691E63.6Low80.1Confident88 Ų8848 Ų4841%0.41126%0.26SS..SBendtrans-80.3150.6176.6-72.9179.9-177.500112.6H31 E688 Y693H31-E691 WeakPolarHBondContact NE2-CG 3.42Å; E688-E691 HydrophobicContact CB-CB 4.32Å; E688-E691 HydrophobicContact CB-CG 3.88Å; E688-E691 HydrophobicContact CG-CB 4.48Å; E688-E691 HydrophobicContact CG-CG 3.81Å; E688-E691 WeakPolarHBondContact O-CB 3.47Å; E688-E691 PolarHBondContact O-N 2.99Å; E691-Y693 HydrophobicContact CB-CE2 4.12Å; E691-Y693 PolarHBondContact OE2-OH 3.13Å
692T67.2Low80.6Confident111 Ų11143.8 Ų43.868%0.68123%0.234SC*.  trans-91.2104171.6-57.20000110.2
693Y76.3Confident81Confident36 Ų3644.7 Ų44.714%0.14125%0.246CC..  trans-79.6144.6171.4-66.1-81.7000111.4A687 E688 E691 V697 F723A687-Y693 HydrophobicContact CB-CE2 3.89Å; E688-Y693 PolarHBondContact N-OH 2.85Å; E688-Y693 WeakPolarHBondContact O-CE2 3.41Å; E691-Y693 HydrophobicContact CB-CE2 4.12Å; E691-Y693 PolarHBondContact OE2-OH 3.13Å; Y693-V697 HydrophobicContact CD1-CG2 4Å; Y693-V697 HydrophobicContact CG-CG2 4.17Å; Y693-F723 HydrophobicContact CD1-CB 3.78Å; Y693-F723 HydrophobicContact CD1-CD2 4.04Å; Y693-F723 HydrophobicContact CD1-CG 4.3Å; Y693-F723 AromaticContact CD2-CD2 3.78Å; Y693-F723 HydrophobicContact CD2-CD2 3.78Å; Y693-F723 HydrophobicContact CD2-CE2 4.41Å; Y693-F723 HydrophobicContact CE1-CB 3.46Å; Y693-F723 VanDerWaalsContact CE1-CB 3.46Å; Y693-F723 HydrophobicContact CE1-CD2 4.17Å; Y693-F723 HydrophobicContact CE1-CG 4.32Å; Y693-F723 AromaticContact CE2-CD2 3.89Å; Y693-F723 HydrophobicContact CE2-CD2 3.89Å; Y693-F723 HydrophobicContact CG-CB 4.46Å; Y693-F723 AromaticContact CG-CD2 3.85Å; Y693-F723 HydrophobicContact CG-CD2 3.85Å
694P76.7Confident81.4Confident72 Ų7244.9 Ų44.947%0.46824%0.24SC..  trans-64.6158.8170.329.2-34.3000111P696 V697P694-P696 CarbonylContact C-O 3.56Å; P694-P696 VanDerWaalsContact C-O 3.3Å; P694-P696 CarbonylContact O-C 3.36Å; P694-V697 WeakPolarHBondContact O-CA 3.37Å; P694-V697 WeakPolarHBondContact O-CB 3.29Å; P694-V697 PolarHBondContact O-N 2.92Å
695D82.5Confident82Confident92 Ų9246.4 Ų46.449%0.49225%0.248SC..SBendtrans-123114.6168-16815.9000108.1P675 L676P675-D695 WeakPolarHBondContact CA-OD1 3.44Å; L676-D695 HydrophobicContact CB-CB 4Å; L676-D695 PolarHBondContact N-OD1 2.97Å
696P89.1Confident82.2Confident66 Ų6646.3 Ų46.343%0.42925%0.247SC..SBendcis-68.3155.94.832.1-37.1000113.8E673 M674 P694E673-P696 HydrophobicContact CB-CB 4.21Å; M674-P696 CarbonylContact O-C 3.58Å; M674-P696 WeakPolarHBondContact O-CA 3.34Å; M674-P696 WeakPolarHBondContact O-CB 3.39Å; P694-P696 CarbonylContact C-O 3.56Å; P694-P696 VanDerWaalsContact C-O 3.3Å; P694-P696 CarbonylContact O-C 3.36Å
697V89.8Confident82.7Confident2 Ų251 Ų511%0.01228%0.275CS..EExtended strand (participates in β ladder)trans-106.3140.1178.268.30000110.7E673 M674 L676 Y693 P694 V699 F723E673-V697 CarbonylContact C-O 3.47Å; E673-V697 VanDerWaalsContact CA-O 3.31Å; E673-V697 WeakPolarHBondContact CA-O 3.2Å; M674-V697 HydrophobicContact CG-CG1 3.92Å; M674-V697 PolarHBondContact N-O 3.09Å; M674-V697 PolarHBondContact O-N 3.47Å; L676-V697 HydrophobicContact CB-CB 4.43Å; L676-V697 HydrophobicContact CB-CG1 4.28Å; L676-V697 HydrophobicContact CD1-CB 4.02Å; L676-V697 HydrophobicContact CD1-CG1 3.97Å; L676-V697 HydrophobicContact CD1-CG2 4.29Å; Y693-V697 HydrophobicContact CD1-CG2 4Å; Y693-V697 HydrophobicContact CG-CG2 4.17Å; P694-V697 WeakPolarHBondContact O-CA 3.37Å; P694-V697 WeakPolarHBondContact O-CB 3.29Å; P694-V697 PolarHBondContact O-N 2.92Å; V697-V699 HydrophobicContact CG1-CG2 4.12Å; V697-F723 HydrophobicContact CG1-CD1 4.12Å; V697-F723 HydrophobicContact CG1-CE1 3.7Å; V697-F723 HydrophobicContact CG1-CE2 4.49Å; V697-F723 HydrophobicContact CG1-CZ 3.9Å; V697-F723 HydrophobicContact CG2-CB 4.11Å; V697-F723 HydrophobicContact CG2-CD1 3.94Å; V697-F723 HydrophobicContact CG2-CD2 4.05Å; V697-F723 HydrophobicContact CG2-CE1 4.31Å; V697-F723 HydrophobicContact CG2-CE2 4.43Å; V697-F723 HydrophobicContact CG2-CG 3.78Å
698R92.9Very high83.6Confident26 Ų2655.1 Ų55.110%0.09829%0.289CS..EExtended strand (participates in β ladder)trans-83.8129173.5-170.1174.6-179.4-89.17.6111.1M671 E673 C724 G726M671-R698 PolarHBondContact SD-NH2 3.04Å; E673-R698 HydrophobicContact CG-CB 4.48Å; R698-C724 PolarHBondContact NH1-O 3.07Å; R698-C724 PolarHBondContact O-N 2.79Å; R698-C724 VanDerWaalsContact O-N 3.07Å; R698-G726 PolarHBondContact NH1-O 3.07Å
699V93.8Very high84.7Confident0 Ų052.8 Ų52.80%028%0.278CS..EExtended strand (participates in β ladder)trans-120.5138.4-177.9-1710000110.2M671 S672 M674 V697 I706 V721 E722 F723M671-V699 WeakPolarHBondContact CA-O 3.39Å; S672-V699 PolarHBondContact N-O 3.4Å; S672-V699 PolarHBondContact O-N 2.97Å; M674-V699 HydrophobicContact CE-CB 3.86Å; M674-V699 HydrophobicContact CE-CG1 4.15Å; M674-V699 HydrophobicContact CE-CG2 3.48Å; M674-V699 VanDerWaalsContact CE-CG2 3.48Å; M674-V699 HydrophobicContact CG-CG2 3.67Å; M674-V699 HydrophobicContact SD-CG2 3.6Å; M674-V699 VanDerWaalsContact SD-CG2 3.6Å; V697-V699 HydrophobicContact CG1-CG2 4.12Å; V699-I706 HydrophobicContact CB-CD1 4Å; V699-I706 HydrophobicContact CG1-CD1 3.71Å; V699-V721 HydrophobicContact CG1-CG1 3.8Å; V699-E722 WeakPolarHBondContact CA-O 3.34Å; V699-F723 HydrophobicContact CB-CD1 4.49Å; V699-F723 HydrophobicContact CG1-CD1 4.45Å; V699-F723 HydrophobicContact CG2-CD1 3.62Å; V699-F723 HydrophobicContact CG2-CE1 3.67Å
700V95.8Very high86.2Confident4 Ų449.5 Ų49.52%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-114.6127.5177.3-1750000108.4V669 Y670 M671 V721 E722 C724V669-V700 HydrophobicContact CG1-CG1 3.81Å; Y670-V700 WeakPolarHBondContact O-CA 3.15Å; M671-V700 HydrophobicContact CG-CG1 4.3Å; M671-V700 HydrophobicContact CG-CG2 4.19Å; V700-V721 CarbonylContact O-C 3.33Å; V700-V721 WeakPolarHBondContact O-CA 3.18Å; V700-E722 PolarHBondContact N-O 2.88Å; V700-E722 PolarHBondContact O-N 3.37Å; V700-C724 HydrophobicContact CG2-CB 3.83Å
701S95.9Very high88Confident0 Ų048.5 Ų48.50%028%0.275CS..EExtended strand (participates in β ladder)trans-133.7136.4-178.4170.90000111Y670 Y704 L709 S720Y670-S701 PolarHBondContact N-O 3.46Å; Y670-S701 PolarHBondContact O-N 3.37Å; S701-Y704 WeakPolarHBondContact CB-O 3.22Å; S701-Y704 PolarHBondContact OG-O 3.24Å; S701-L709 WeakPolarHBondContact OG-CD1 3.39Å; S701-S720 WeakPolarHBondContact CA-O 3.37Å
702V95.4Very high89.4Confident7 Ų747.4 Ų47.44%0.04227%0.274CS..EExtended strand (participates in β ladder)trans-94.2128.9174.9174.60000110L613 A667 V669 Y704 T719 S720 V732L613-V702 HydrophobicContact CD2-CG2 4.03Å; A667-V702 HydrophobicContact CB-CG1 4.25Å; V669-V702 HydrophobicContact CG2-CG2 4.47Å; V702-Y704 PolarHBondContact O-N 3.41Å; V702-T719 WeakPolarHBondContact CB-OG1 3.36Å; V702-T719 WeakPolarHBondContact O-CB 3.26Å; V702-T719 WeakPolarHBondContact O-CG2 3.24Å; V702-T719 PolarHBondContact O-OG1 2.91Å; V702-S720 PolarHBondContact N-O 2.92Å; V702-V732 HydrophobicContact CG1-CG2 3.56Å; V702-V732 HydrophobicContact CG2-CG2 4.18Å
703G94.1Very high90.3Very high27 Ų2744.5 Ų44.528%0.27826%0.257SS..SBendtrans76.1-23.817200000116.5P668P668-G703 PolarHBondContact O-N 3.2Å
704Y93.9Very high90.9Very high56 Ų5646.2 Ų46.222%0.2227%0.274CS..SBendtrans-121.4125.9-177.9-61.5-85.4000112.1Y670 S701 V702 K708 L709 L715 T719Y670-Y704 WeakPolarHBondContact CD2-O 3.46Å; S701-Y704 WeakPolarHBondContact CB-O 3.22Å; S701-Y704 PolarHBondContact OG-O 3.24Å; V702-Y704 PolarHBondContact O-N 3.41Å; Y704-K708 HydrophobicContact CD1-CD 4.23Å; Y704-L709 HydrophobicContact CG-CD2 4.21Å; Y704-L715 HydrophobicContact CD1-CB 4.44Å; Y704-L715 HydrophobicContact CD1-CD1 3.87Å; Y704-L715 HydrophobicContact CE1-CB 4.49Å; Y704-L715 HydrophobicContact CE1-CD1 3.94Å; Y704-L715 HydrophobicContact CE1-CD2 3.95Å; Y704-L715 HydrophobicContact CE1-CG 4.36Å; Y704-T719 HydrophobicContact CD2-CG2 3.58Å; Y704-T719 HydrophobicContact CE2-CG2 4.07Å
705P94Very high91.6Very high44 Ų4444 Ų4429%0.28626%0.258SS..  trans-58.6147.8169.9-21.230.4000111.6Y670 D707 K708 L709Y670-P705 HydrophobicContact CD1-CB 4.28Å; Y670-P705 HydrophobicContact CD1-CG 4.29Å; Y670-P705 HydrophobicContact CD2-CG 4.41Å; Y670-P705 HydrophobicContact CE1-CB 4.29Å; Y670-P705 HydrophobicContact CE1-CG 3.83Å; Y670-P705 HydrophobicContact CE2-CG 3.94Å; Y670-P705 HydrophobicContact CG-CB 4.47Å; P705-D707 PolarHBondContact O-N 3.36Å; P705-K708 HydrophobicContact CB-CB 4.43Å; P705-K708 WeakPolarHBondContact O-CB 3.31Å; P705-K708 PolarHBondContact O-N 3.38Å; P705-L709 PolarHBondContact O-N 3.42Å; P705-L709 VanDerWaalsContact O-N 3.12Å
706I90.6Very high91.9Very high8 Ų839.6 Ų39.64%0.04123%0.234CC..Hα-helixtrans-58.6-44.7-177.9-69.6-49.1000112.8S672 M674 V699 K708 L709 L710S672-I706 WeakPolarHBondContact OG-CB 3.32Å; S672-I706 WeakPolarHBondContact OG-CG1 3.41Å; M674-I706 HydrophobicContact CE-CB 4.26Å; M674-I706 HydrophobicContact CE-CD1 4.17Å; M674-I706 HydrophobicContact CE-CG1 4.34Å; M674-I706 HydrophobicContact CE-CG2 3.07Å; V699-I706 HydrophobicContact CB-CD1 4Å; V699-I706 HydrophobicContact CG1-CD1 3.71Å; I706-K708 PolarHBondContact O-N 3.49Å; I706-L709 HydrophobicContact CD1-CD1 4.11Å; I706-L709 WeakPolarHBondContact O-CB 3.48Å; I706-L709 PolarHBondContact O-N 3.3Å; I706-L710 HydrophobicContact CG2-CD1 4.25Å; I706-L710 PolarHBondContact O-N 3.33Å
707D91.3Very high91.8Very high130 Ų13041.1 Ų41.170%0.69524%0.237SC*.Hα-helixtrans-59.5-32.9177.7-61-29.2000112.4P705 A711P705-D707 PolarHBondContact O-N 3.36Å; D707-A711 WeakPolarHBondContact O-CB 3.33Å; D707-A711 PolarHBondContact O-N 3.3Å
708K92.8Very high91.7Very high108 Ų10846.8 Ų46.847%0.4726%0.264SS..Hα-helixtrans-72.7-36.3176.9-172175.2178.5-178.90111.8Y704 P705 I706 A711 V712 L715Y704-K708 HydrophobicContact CD1-CD 4.23Å; P705-K708 HydrophobicContact CB-CB 4.43Å; P705-K708 WeakPolarHBondContact O-CB 3.31Å; P705-K708 PolarHBondContact O-N 3.38Å; I706-K708 PolarHBondContact O-N 3.49Å; K708-A711 PolarHBondContact O-N 3.07Å; K708-V712 PolarHBondContact O-N 3.22Å; K708-L715 HydrophobicContact CD-CD1 4.45Å; K708-L715 HydrophobicContact CG-CD1 4.13Å
709L91Very high91.6Very high0 Ų046.1 Ų46.10%026%0.262CS..Hα-helixtrans-66.4-40.5173.7-67.4-178.9000111.5L682 S701 Y704 P705 I706 A711 V712 P713 L715 V721L682-L709 HydrophobicContact CD1-CB 4.47Å; L682-L709 HydrophobicContact CD2-CB 4.06Å; S701-L709 WeakPolarHBondContact OG-CD1 3.39Å; Y704-L709 HydrophobicContact CG-CD2 4.21Å; P705-L709 PolarHBondContact O-N 3.42Å; P705-L709 VanDerWaalsContact O-N 3.12Å; I706-L709 HydrophobicContact CD1-CD1 4.11Å; I706-L709 WeakPolarHBondContact O-CB 3.48Å; I706-L709 PolarHBondContact O-N 3.3Å; L709-A711 VanDerWaalsContact C-N 3.33Å; L709-A711 PolarHBondContact O-N 3.27Å; L709-V712 CarbonylContact O-C 3.13Å; L709-V712 PolarHBondContact O-N 3.23Å; L709-P713 WeakPolarHBondContact O-CA 3.41Å; L709-L715 HydrophobicContact CD2-CB 3.78Å; L709-V721 HydrophobicContact CD1-CB 4.44Å; L709-V721 HydrophobicContact CD1-CG1 3.9Å; L709-V721 HydrophobicContact CD1-CG2 3.61Å
710L89.6Confident91.6Very high64 Ų6446.2 Ų46.234%0.33526%0.263SS..Hα-helixtrans-65.6-37.5175.8-67.8173.8000111.9A678 L682 I706A678-L710 HydrophobicContact CB-CD2 4.16Å; L682-L710 HydrophobicContact CD2-CD2 4.23Å; I706-L710 HydrophobicContact CG2-CD1 4.25Å; I706-L710 PolarHBondContact O-N 3.33Å
711A91.9Very high91.5Very high78 Ų7846 Ų4665%0.64526%0.262SS*.Hα-helixtrans-71.6-34176.100000113.2D707 K708 L709D707-A711 WeakPolarHBondContact O-CB 3.33Å; D707-A711 PolarHBondContact O-N 3.3Å; K708-A711 PolarHBondContact O-N 3.07Å; L709-A711 VanDerWaalsContact C-N 3.33Å; L709-A711 PolarHBondContact O-N 3.27Å
712V91.8Very high91.4Very high65 Ų6546.6 Ų46.639%0.39427%0.265SS..SBendtrans-133.878.7179.9-169.50000110.1K708 L709 S714 L715K708-V712 PolarHBondContact O-N 3.22Å; L709-V712 CarbonylContact O-C 3.13Å; L709-V712 PolarHBondContact O-N 3.23Å; V712-S714 PolarHBondContact O-N 3.1Å; V712-S714 VanDerWaalsContact O-N 3.07Å; V712-L715 HydrophobicContact CB-CD1 3.9Å; V712-L715 HydrophobicContact CB-CG 4.15Å; V712-L715 HydrophobicContact CG1-CD1 4.13Å; V712-L715 HydrophobicContact CG1-CG 3.92Å; V712-L715 WeakPolarHBondContact O-CB 3.48Å; V712-L715 PolarHBondContact O-N 3.29Å
713P87.8Confident91.3Very high49 Ų4946.8 Ų46.832%0.31827%0.265SS..G310 helixtrans-58.8-26.7-172.7-27.435.8000114.4L682 P683 L709 L715 S716L682-P713 HydrophobicContact CD2-CB 4.36Å; P683-P713 WeakPolarHBondContact CD-O 3.46Å; P683-P713 HydrophobicContact CG-CB 4.13Å; L709-P713 WeakPolarHBondContact O-CA 3.41Å; P713-L715 PolarHBondContact O-N 2.95Å; P713-L715 VanDerWaalsContact O-N 3.09Å; P713-S716 PolarHBondContact O-N 2.93Å; P713-S716 VanDerWaalsContact O-N 3.17Å; P713-S716 PolarHBondContact O-OG 3.46Å
714S89.2Confident91.2Very high73 Ų7346.2 Ų46.251%0.5126%0.256SS..G310 helixtrans-61.8-20177.858.30000114.2V712 S716 M717V712-S714 PolarHBondContact O-N 3.1Å; V712-S714 VanDerWaalsContact O-N 3.07Å; S714-S716 VanDerWaalsContact C-N 3.3Å; S714-S716 PolarHBondContact O-N 3.2Å; S714-M717 PolarHBondContact O-N 3Å
715L90.9Very high91.1Very high24 Ų2445.3 Ų45.313%0.12626%0.264CS..G310 helixtrans-67.8-27.5177.4-68.5175.9000112.8Y704 K708 L709 V712 P713 M717 Q718Y704-L715 HydrophobicContact CD1-CB 4.44Å; Y704-L715 HydrophobicContact CD1-CD1 3.87Å; Y704-L715 HydrophobicContact CE1-CB 4.49Å; Y704-L715 HydrophobicContact CE1-CD1 3.94Å; Y704-L715 HydrophobicContact CE1-CD2 3.95Å; Y704-L715 HydrophobicContact CE1-CG 4.36Å; K708-L715 HydrophobicContact CD-CD1 4.45Å; K708-L715 HydrophobicContact CG-CD1 4.13Å; L709-L715 HydrophobicContact CD2-CB 3.78Å; V712-L715 HydrophobicContact CB-CD1 3.9Å; V712-L715 HydrophobicContact CB-CG 4.15Å; V712-L715 HydrophobicContact CG1-CD1 4.13Å; V712-L715 HydrophobicContact CG1-CG 3.92Å; V712-L715 WeakPolarHBondContact O-CB 3.48Å; V712-L715 PolarHBondContact O-N 3.29Å; P713-L715 PolarHBondContact O-N 2.95Å; P713-L715 VanDerWaalsContact O-N 3.09Å; L715-M717 PolarHBondContact O-N 3.29Å; L715-Q718 PolarHBondContact O-N 3.09Å
716S87.7Confident91.1Very high0 Ų043.2 Ų43.20%025%0.25CS..G310 helixtrans-69.7-11.8-179.755.50000113.7P683 P713 S714P683-S716 CarbonylContact O-C 3.31Å; P683-S716 VanDerWaalsContact O-CB 3.3Å; P683-S716 WeakPolarHBondContact O-CB 3.43Å; P683-S716 PolarHBondContact O-OG 2.77Å; P713-S716 PolarHBondContact O-N 2.93Å; P713-S716 VanDerWaalsContact O-N 3.17Å; P713-S716 PolarHBondContact O-OG 3.46Å; S714-S716 VanDerWaalsContact C-N 3.3Å; S714-S716 PolarHBondContact O-N 3.2Å
717M87.2Confident91.3Very high98 Ų9842.8 Ų42.848%0.48325%0.248SC..G310 helixtrans-79.1-19.4170.2-72-69.4-65.900113.2P683 G684 S714 L715P683-M717 HydrophobicContact CB-CG 3.77Å; P683-M717 HydrophobicContact CB-SD 4.15Å; G684-M717 WeakPolarHBondContact CA-SD 3.25Å; G684-M717 PolarHBondContact N-SD 3.34Å; S714-M717 PolarHBondContact O-N 3Å; L715-M717 PolarHBondContact O-N 3.29Å
718Q88.2Confident91.5Very high122 Ų12236.6 Ų36.657%0.5722%0.215SC*.SBendtrans-95.41.3-175.3-58.2178.421.500112.7L715L715-Q718 PolarHBondContact O-N 3.09Å
719T90.6Very high91.6Very high11 Ų1131.5 Ų31.57%0.06719%0.193CC..SBendtrans-149.9172.8-176.9-169.30000111.1F616 V702 Y704 V721F616-T719 VanDerWaalsContact CD2-O 3.32Å; F616-T719 WeakPolarHBondContact CD2-O 3.24Å; F616-T719 VanDerWaalsContact CE2-C 3.42Å; F616-T719 WeakPolarHBondContact CE2-O 3.43Å; V702-T719 WeakPolarHBondContact CB-OG1 3.36Å; V702-T719 WeakPolarHBondContact O-CB 3.26Å; V702-T719 WeakPolarHBondContact O-CG2 3.24Å; V702-T719 PolarHBondContact O-OG1 2.91Å; Y704-T719 HydrophobicContact CD2-CG2 3.58Å; Y704-T719 HydrophobicContact CE2-CG2 4.07Å; T719-V721 HydrophobicContact CG2-CG2 3.69Å
720S93.4Very high91.8Very high3 Ų334.2 Ų34.22%0.02121%0.205CC..  trans-76.1120.3168.4-1790000110.5H612 S701 V702H612-S720 PolarHBondContact O-OG 2.99Å; S701-S720 WeakPolarHBondContact CA-O 3.37Å; V702-S720 PolarHBondContact N-O 2.92Å
721V93.9Very high92Very high0 Ų035.5 Ų35.50%021%0.206CC..EExtended strand (participates in β ladder)trans-134.6121.1171.2-171.50000108.7L682 L685 R686 V699 V700 L709 T719L682-V721 HydrophobicContact CD1-CG1 4.25Å; L685-V721 CarbonylContact C-O 3.5Å; L685-V721 WeakPolarHBondContact CA-O 3.49Å; L685-V721 HydrophobicContact CD1-CG1 3.97Å; R686-V721 PolarHBondContact N-O 2.64Å; V699-V721 HydrophobicContact CG1-CG1 3.8Å; V700-V721 CarbonylContact O-C 3.33Å; V700-V721 WeakPolarHBondContact O-CA 3.18Å; L709-V721 HydrophobicContact CD1-CB 4.44Å; L709-V721 HydrophobicContact CD1-CG1 3.9Å; L709-V721 HydrophobicContact CD1-CG2 3.61Å; T719-V721 HydrophobicContact CG2-CG2 3.69Å
722E93.8Very high92.2Very high12 Ų1231.9 Ų31.96%0.05618%0.175CC..EExtended strand (participates in β ladder)trans-142.4150.5-176-39.4-157.517400112.8H612 N615 R686 V699 V700 C724H612-E722 IonicContact CE1-OE2 3.43Å; H612-E722 PolarHBondContact CE1-OE2 2.73Å; H612-E722 IonicContact CG-OE1 3.8Å; H612-E722 IonicContact CG-OE2 2.82Å; H612-E722 VanDerWaalsContact ND1-CG 3.27Å; H612-E722 WeakPolarHBondContact ND1-CG 3.39Å; H612-E722 IonicContact ND1-OE1 3.14Å; H612-E722 IonicContact ND1-OE2 3.24Å; H612-E722 PolarHBondContact ND1-OE2 2.93Å; N615-E722 WeakPolarHBondContact CB-OE1 3.38Å; N615-E722 PolarHBondContact ND2-OE1 2.98Å; R686-E722 HydrophobicContact CB-CB 3.98Å; R686-E722 HydrophobicContact CB-CG 3.57Å; R686-E722 HydrophobicContact CG-CG 3.9Å; R686-E722 WeakPolarHBondContact O-CA 3.04Å; R686-E722 WeakPolarHBondContact O-CB 3.39Å; V699-E722 WeakPolarHBondContact CA-O 3.34Å; V700-E722 PolarHBondContact N-O 2.88Å; V700-E722 PolarHBondContact O-N 3.37Å; E722-C724 PolarHBondContact O-N 2.96Å
723F92.9Very high92.3Very high11 Ų1129.6 Ų29.65%0.04817%0.166CC..EExtended strand (participates in β ladder)trans-75.8117.7164.5-68-16.5000109.2L676 K680 L685 R686 A687 Y693 V697 V699L676-F723 HydrophobicContact CD1-CD2 4.28Å; L676-F723 HydrophobicContact CD1-CE2 3.51Å; L676-F723 HydrophobicContact CD1-CZ 3.88Å; K680-F723 HydrophobicContact CG-CE2 4.19Å; K680-F723 HydrophobicContact CG-CZ 4.32Å; L685-F723 HydrophobicContact CD1-CD1 3.74Å; L685-F723 HydrophobicContact CD1-CE1 3.82Å; L685-F723 HydrophobicContact CD1-CG 4.38Å; L685-F723 HydrophobicContact CD1-CZ 4.5Å; L685-F723 HydrophobicContact CD2-CD1 4.01Å; L685-F723 HydrophobicContact CD2-CD2 4.12Å; L685-F723 HydrophobicContact CD2-CE1 3.55Å; L685-F723 HydrophobicContact CD2-CE2 3.66Å; L685-F723 HydrophobicContact CD2-CG 4.3Å; L685-F723 HydrophobicContact CD2-CZ 3.37Å; L685-F723 HydrophobicContact CG-CD1 4.42Å; L685-F723 HydrophobicContact CG-CE1 4.32Å; R686-F723 PolarHBondContact O-N 3.16Å; A687-F723 HydrophobicContact CB-CB 4.37Å; A687-F723 HydrophobicContact CB-CD2 3.64Å; A687-F723 HydrophobicContact CB-CE2 4.28Å; A687-F723 HydrophobicContact CB-CG 4.21Å; Y693-F723 HydrophobicContact CD1-CB 3.78Å; Y693-F723 HydrophobicContact CD1-CD2 4.04Å; Y693-F723 HydrophobicContact CD1-CG 4.3Å; Y693-F723 AromaticContact CD2-CD2 3.78Å; Y693-F723 HydrophobicContact CD2-CD2 3.78Å; Y693-F723 HydrophobicContact CD2-CE2 4.41Å; Y693-F723 HydrophobicContact CE1-CB 3.46Å; Y693-F723 VanDerWaalsContact CE1-CB 3.46Å; Y693-F723 HydrophobicContact CE1-CD2 4.17Å; Y693-F723 HydrophobicContact CE1-CG 4.32Å; Y693-F723 AromaticContact CE2-CD2 3.89Å; Y693-F723 HydrophobicContact CE2-CD2 3.89Å; Y693-F723 HydrophobicContact CG-CB 4.46Å; Y693-F723 AromaticContact CG-CD2 3.85Å; Y693-F723 HydrophobicContact CG-CD2 3.85Å; V697-F723 HydrophobicContact CG1-CD1 4.12Å; V697-F723 HydrophobicContact CG1-CE1 3.7Å; V697-F723 HydrophobicContact CG1-CE2 4.49Å; V697-F723 HydrophobicContact CG1-CZ 3.9Å; V697-F723 HydrophobicContact CG2-CB 4.11Å; V697-F723 HydrophobicContact CG2-CD1 3.94Å; V697-F723 HydrophobicContact CG2-CD2 4.05Å; V697-F723 HydrophobicContact CG2-CE1 4.31Å; V697-F723 HydrophobicContact CG2-CE2 4.43Å; V697-F723 HydrophobicContact CG2-CG 3.78Å; V699-F723 HydrophobicContact CB-CD1 4.49Å; V699-F723 HydrophobicContact CG1-CD1 4.45Å; V699-F723 HydrophobicContact CG2-CD1 3.62Å; V699-F723 HydrophobicContact CG2-CE1 3.67Å
724C93.1Very high92.7Very high15 Ų1527.8 Ų27.810%0.10115%0.153CC..  trans-153.7126.3-177.4-174.50000113.2H608 R698 V700 E722 G726 H728H608-C724 PolarHBondContact NE2-SG 3.06Å; H608-C724 VanDerWaalsContact NE2-SG 3.37Å; R698-C724 PolarHBondContact NH1-O 3.07Å; R698-C724 PolarHBondContact O-N 2.79Å; R698-C724 VanDerWaalsContact O-N 3.07Å; V700-C724 HydrophobicContact CG2-CB 3.83Å; E722-C724 PolarHBondContact O-N 2.96Å; C724-G726 VanDerWaalsContact C-N 3.3Å; C724-G726 PolarHBondContact SG-N 3.41Å; C724-H728 PolarHBondContact SG-NE2 3.16Å
725G91.4Very high93Very high36 Ų3624.3 Ų24.337%0.37113%0.128SC..  trans-90.217.2172.600000113.8Y480 Y530Y480-G725 WeakPolarHBondContact OH-CA 3.47Å; Y480-G725 PolarHBondContact OH-O 3.3Å; Y530-G725 VanDerWaalsContact CE2-O 3.25Å; Y530-G725 WeakPolarHBondContact CE2-O 3.36Å; Y530-G725 PolarHBondContact OH-O 2.99Å
726G93.7Very high93.1Very high0 Ų026 Ų260%014%0.137CC..SBendtrans-86.1170.5-178.400000115.1H608 R698 C724 H728H608-G726 VanDerWaalsContact CE1-CA 3.47Å; H608-G726 WeakPolarHBondContact CE1-CA 3.35Å; R698-G726 PolarHBondContact NH1-O 3.07Å; C724-G726 VanDerWaalsContact C-N 3.3Å; C724-G726 PolarHBondContact SG-N 3.41Å; G726-H728 PolarHBondContact O-CD2 2.79Å; G726-H728 VanDerWaalsContact O-CD2 3.3Å
727T95.3Very high93.5Very high0 Ų026.6 Ų26.60%014%0.141CC..  trans-91.4132.3169.957.90000110.6Y482 Y530 Q536 M605Y482-T727 HydrophobicContact CE1-CG2 4.38Å; Y530-T727 HydrophobicContact CD2-CG2 3.94Å; Q536-T727 PolarHBondContact NE2-OG1 2.89Å; Q536-T727 VanDerWaalsContact OE1-N 3.09Å; Q536-T727 PolarHBondContact OE1-OG1 2.82Å; Q536-T727 VanDerWaalsContact OE1-OG1 3.11Å; M605-T727 WeakPolarHBondContact CG-OG1 3.31Å
728H95.8Very high94Very high0 Ų022 Ų220%012%0.118CC..  trans-131.5152.6-175.1-61.1-81000112.9Y482 M605 H608 H612 V669 M671 C724 G726Y482-H728 WeakPolarHBondContact CE2-O 3.48Å; Y482-H728 PolarHBondContact OH-N 3.2Å; Y482-H728 PolarHBondContact OH-O 3.41Å; M605-H728 VanDerWaalsContact CE-C 3.43Å; M605-H728 WeakPolarHBondContact CE-O 3.49Å; H608-H728 AromaticContact CD2-CE1 3.32Å; H608-H728 PolarHBondContact CD2-CE1 3.03Å; H608-H728 AromaticContact CD2-ND1 3.98Å; H608-H728 AromaticContact CE1-CE1 3.94Å; H608-H728 AromaticContact CG-CE1 3.55Å; H608-H728 AromaticContact CG-ND1 3.91Å; H608-H728 AromaticContact ND1-CE1 3.91Å; H608-H728 AromaticContact NE2-CE1 3.58Å; H612-H728 AromaticContact CD2-CE1 3.71Å; H612-H728 AromaticContact CE1-CE1 3.82Å; H612-H728 AromaticContact NE2-CE1 3.2Å; H612-H728 PolarHBondContact NE2-CE1 2.9Å; H612-H728 AromaticContact NE2-NE2 3.99Å; V669-H728 HydrophobicContact CG1-CB 4.39Å; M671-H728 HydrophobicContact SD-CB 3.85Å; C724-H728 PolarHBondContact SG-NE2 3.16Å; G726-H728 PolarHBondContact O-CD2 2.79Å; G726-H728 VanDerWaalsContact O-CD2 3.3Å
729L95.3Very high94.4Very high0 Ų016.1 Ų16.10%09%0.091CC..  trans-58.7146.4165.4-58.8170000110.5Y492 M605 K606 T609 V669 R731 H734 I735Y492-L729 HydrophobicContact CD2-CD2 4.4Å; Y492-L729 HydrophobicContact CE2-CD2 3.51Å; M605-L729 HydrophobicContact CB-CD2 4.04Å; M605-L729 HydrophobicContact CB-CG 4.24Å; K606-L729 HydrophobicContact CB-CD1 4.38Å; K606-L729 HydrophobicContact CG-CD1 4.04Å; K606-L729 HydrophobicContact CG-CD2 4.28Å; T609-L729 PolarHBondContact OG1-N 2.82Å; T609-L729 VanDerWaalsContact OG1-N 3.07Å; V669-L729 WeakPolarHBondContact CB-O 3.39Å; V669-L729 WeakPolarHBondContact CG1-O 3.46Å; V669-L729 VanDerWaalsContact CG2-O 3.3Å; V669-L729 WeakPolarHBondContact CG2-O 3.42Å; L729-R731 VanDerWaalsContact C-N 3.31Å; L729-R731 WeakPolarHBondContact CB-O 3.47Å; L729-H734 HydrophobicContact CB-CB 4.35Å; L729-H734 HydrophobicContact CD1-CB 3.81Å; L729-H734 HydrophobicContact CD2-CB 3.92Å; L729-H734 HydrophobicContact CG-CB 4.25Å; L729-I735 HydrophobicContact CD1-CB 4.43Å; L729-I735 HydrophobicContact CD1-CG1 3.6Å
730H94.4Very high94.8Very high58 Ų5815.6 Ų15.627%0.2699%0.088SC..SBendtrans-77.1-15.8171.6-70.8-168.7000113.3Y482 V484 Y492 P668 V669Y482-H730 AromaticContact CD2-NE2 3.58Å; Y482-H730 AromaticContact CE2-CD2 3.68Å; Y482-H730 AromaticContact CE2-NE2 3.29Å; Y482-H730 VanDerWaalsContact CE2-NE2 3.29Å; Y482-H730 WeakPolarHBondContact CE2-NE2 3.32Å; Y482-H730 PolarHBondContact O-CE1 3Å; V484-H730 HydrophobicContact CG2-CB 4Å; Y492-H730 HydrophobicContact CE1-CB 4.28Å; Y492-H730 AromaticContact CE1-CD2 3.95Å; Y492-H730 AromaticContact CE1-CG 3.9Å; Y492-H730 PolarHBondContact OH-N 3.43Å; P668-H730 CarbonylContact C-O 3.3Å; P668-H730 WeakPolarHBondContact CA-O 3.35Å; V669-H730 PolarHBondContact N-O 2.99Å
731R94.6Very high94.9Very high91 Ų9116.4 Ų16.434%0.3439%0.091SC..BIsolated β-bridgetrans-143141178.7-71.1-171.3173.3-90.3-0.7110.5N666 A667 L729 G733 H734N666-R731 PolarHBondContact O-NH1 2.85Å; N666-R731 WeakPolarHBondContact OD1-CB 3.32Å; A667-R731 WeakPolarHBondContact O-CA 3.39Å; L729-R731 VanDerWaalsContact C-N 3.31Å; L729-R731 WeakPolarHBondContact CB-O 3.47Å; R731-G733 VanDerWaalsContact C-N 3.34Å; R731-G733 PolarHBondContact O-N 3.31Å; R731-H734 WeakPolarHBondContact O-CB 3.42Å; R731-H734 PolarHBondContact O-N 3.28Å
732V94.8Very high94.7Very high1 Ų118 Ų181%0.00610%0.102CC..G310 helixtrans-69.2-32.4-176.8177.20000112.4L613 L662 V663 A667 V669 V702 H734 I735L613-V732 HydrophobicContact CD1-CG1 3.43Å; L613-V732 VanDerWaalsContact CD1-CG1 3.43Å; L613-V732 HydrophobicContact CD2-CG1 4.47Å; L662-V732 HydrophobicContact CB-CG1 4.43Å; L662-V732 WeakPolarHBondContact O-CG1 3.3Å; V663-V732 HydrophobicContact CG2-CG1 4.29Å; A667-V732 PolarHBondContact O-N 3.46Å; V669-V732 HydrophobicContact CG2-CG2 3.72Å; V702-V732 HydrophobicContact CG1-CG2 3.56Å; V702-V732 HydrophobicContact CG2-CG2 4.18Å; V732-H734 PolarHBondContact O-N 2.91Å; V732-H734 VanDerWaalsContact O-N 3.11Å; V732-I735 HydrophobicContact CG1-CD1 4.12Å; V732-I735 WeakPolarHBondContact O-CB 3.29Å; V732-I735 VanDerWaalsContact O-CG1 3.3Å; V732-I735 WeakPolarHBondContact O-CG1 3.39Å; V732-I735 PolarHBondContact O-N 3.1Å
733G95Very high94.7Very high18 Ų1819 Ų1919%0.18611%0.107CC..G310 helixtrans-65.8-16.4178.100000113.7V663 N666 R731 I735 D736V663-G733 WeakPolarHBondContact O-CA 3.18Å; N666-G733 WeakPolarHBondContact OD1-CA 3.44Å; N666-G733 PolarHBondContact OD1-N 3.18Å; R731-G733 VanDerWaalsContact C-N 3.34Å; R731-G733 PolarHBondContact O-N 3.31Å; G733-I735 PolarHBondContact O-N 3.28Å; G733-D736 WeakPolarHBondContact O-CA 3.41Å; G733-D736 PolarHBondContact O-N 3.33Å; G733-D736 VanDerWaalsContact O-N 3.1Å
734H94.9Very high94.6Very high10 Ų1022.6 Ų22.65%0.04612%0.124CC..G310 helixtrans-71.8-11.4174.5-67.7-176.8000113.5V487 N490 Y492 K606 L729 R731 V732V487-H734 PolarHBondContact O-NE2 2.91Å; V487-H734 VanDerWaalsContact O-NE2 3.16Å; N490-H734 HydrophobicContact CB-CB 4.41Å; N490-H734 PolarHBondContact ND2-O 2.88Å; N490-H734 WeakPolarHBondContact OD1-CB 3.5Å; N490-H734 VanDerWaalsContact OD1-CG 3.24Å; N490-H734 PolarHBondContact OD1-ND1 2.92Å; Y492-H734 AromaticContact CE2-ND1 3.73Å; Y492-H734 AromaticContact CZ-ND1 3.76Å; Y492-H734 PolarHBondContact OH-ND1 2.87Å; K606-H734 WeakPolarHBondContact CE-O 3.31Å; K606-H734 PolarHBondContact NZ-O 2.92Å; L729-H734 HydrophobicContact CB-CB 4.35Å; L729-H734 HydrophobicContact CD1-CB 3.81Å; L729-H734 HydrophobicContact CD2-CB 3.92Å; L729-H734 HydrophobicContact CG-CB 4.25Å; R731-H734 WeakPolarHBondContact O-CB 3.42Å; R731-H734 PolarHBondContact O-N 3.28Å; V732-H734 PolarHBondContact O-N 2.91Å; V732-H734 VanDerWaalsContact O-N 3.11Å
735I95.7Very high94.2Very high0 Ų025 Ų250%014%0.144CC..G310 helixtrans-60.4-40.6166.6-65.3172.5000109.7K606 T609 A610 L613 V663 L729 V732 G733 D737 T757 G758K606-I735 PolarHBondContact NZ-O 2.8Å; T609-I735 HydrophobicContact CG2-CD1 4.04Å; T609-I735 HydrophobicContact CG2-CG1 4.46Å; A610-I735 HydrophobicContact CB-CD1 4Å; A610-I735 HydrophobicContact CB-CG1 4.48Å; A610-I735 HydrophobicContact CB-CG2 4.19Å; L613-I735 HydrophobicContact CD1-CD1 3.43Å; L613-I735 VanDerWaalsContact CD1-CD1 3.43Å; L613-I735 HydrophobicContact CG-CD1 4.36Å; V663-I735 HydrophobicContact CG2-CB 3.98Å; V663-I735 HydrophobicContact CG2-CD1 4.13Å; V663-I735 HydrophobicContact CG2-CG2 4.09Å; L729-I735 HydrophobicContact CD1-CB 4.43Å; L729-I735 HydrophobicContact CD1-CG1 3.6Å; V732-I735 HydrophobicContact CG1-CD1 4.12Å; V732-I735 WeakPolarHBondContact O-CB 3.29Å; V732-I735 VanDerWaalsContact O-CG1 3.3Å; V732-I735 WeakPolarHBondContact O-CG1 3.39Å; V732-I735 PolarHBondContact O-N 3.1Å; G733-I735 PolarHBondContact O-N 3.28Å; I735-D737 VanDerWaalsContact C-N 3.31Å; I735-D737 PolarHBondContact O-N 3.1Å; I735-D737 VanDerWaalsContact O-N 3.1Å; I735-T757 HydrophobicContact CG2-CG2 3.94Å; I735-G758 WeakPolarHBondContact O-CA 3.16Å; I735-G758 PolarHBondContact O-N 3.48Å
736D94Very high93.5Very high59 Ų5927 Ų2732%0.31615%0.146SC..  trans71.7-49.3175.7120.568.2000116.6K606 G733 G758 R762K606-D736 IonicContact NZ-OD2 3.03Å; K606-D736 PolarHBondContact NZ-OD2 3.07Å; G733-D736 WeakPolarHBondContact O-CA 3.41Å; G733-D736 PolarHBondContact O-N 3.33Å; G733-D736 VanDerWaalsContact O-N 3.1Å; D736-G758 VanDerWaalsContact OD2-CA 3.28Å; D736-G758 WeakPolarHBondContact OD2-CA 3.47Å; D736-R762 IonicContact OD1-CZ 3.31Å; D736-R762 IonicContact OD1-NH1 2.89Å; D736-R762 PolarHBondContact OD1-NH1 2.78Å; D736-R762 IonicContact OD2-CZ 3.78Å; D736-R762 IonicContact OD2-NH1 2.84Å; D736-R762 PolarHBondContact OD2-NH1 3.47Å
737D95.3Very high92.3Very high14 Ų1428.2 Ų28.28%0.07516%0.156CC..  trans-146159.9169.8-161.7-2.6000110.5I735 T757 G758 A761 R762 R765I735-D737 VanDerWaalsContact C-N 3.31Å; I735-D737 PolarHBondContact O-N 3.1Å; I735-D737 VanDerWaalsContact O-N 3.1Å; D737-T757 CarbonylContact O-C 3.57Å; D737-T757 WeakPolarHBondContact O-CA 3.32Å; D737-G758 PolarHBondContact O-N 3.12Å; D737-A761 HydrophobicContact CB-CB 3.8Å; D737-R762 HydrophobicContact CB-CG 3.92Å; D737-R765 VanDerWaalsContact CG-NE 3.31Å; D737-R765 IonicContact OD1-CZ 3.03Å; D737-R765 IonicContact OD1-NE 2.88Å; D737-R765 PolarHBondContact OD1-NE 3.3Å; D737-R765 IonicContact OD1-NH2 3.47Å; D737-R765 PolarHBondContact OD1-NH2 3.04Å; D737-R765 WeakPolarHBondContact OD2-CD 3.19Å; D737-R765 IonicContact OD2-NE 3.17Å; D737-R765 PolarHBondContact OD2-NE 3.29Å
738F98Very high90.9Very high0 Ų030.8 Ų30.80%017%0.166CC..EExtended strand (participates in β ladder)trans-148.6131.9-176.4-178.4-88.1000111.3A610 L614 L637 E656 I659 L660 I740 A755 L756 T757 R765A610-F738 HydrophobicContact CB-CD2 4.01Å; A610-F738 HydrophobicContact CB-CE2 4.16Å; L614-F738 HydrophobicContact CB-CZ 4.47Å; L614-F738 HydrophobicContact CD1-CZ 4.22Å; L614-F738 HydrophobicContact CD2-CZ 4.49Å; L637-F738 HydrophobicContact CD2-CE2 4.13Å; E656-F738 HydrophobicContact CG-CD1 4.35Å; E656-F738 HydrophobicContact CG-CE1 4.32Å; I659-F738 HydrophobicContact CB-CD1 4.18Å; I659-F738 HydrophobicContact CB-CG 4.45Å; I659-F738 HydrophobicContact CD1-CD1 3.85Å; I659-F738 HydrophobicContact CD1-CE1 3.31Å; I659-F738 HydrophobicContact CD1-CE2 4.09Å; I659-F738 HydrophobicContact CD1-CG 4.45Å; I659-F738 HydrophobicContact CD1-CZ 3.47Å; I659-F738 VanDerWaalsContact CD1-CZ 3.47Å; I659-F738 HydrophobicContact CG1-CE1 4.5Å; I659-F738 HydrophobicContact CG2-CB 3.92Å; I659-F738 HydrophobicContact CG2-CD1 3.9Å; I659-F738 HydrophobicContact CG2-CD2 3.99Å; I659-F738 HydrophobicContact CG2-CE1 4.43Å; I659-F738 HydrophobicContact CG2-CE2 4.5Å; I659-F738 HydrophobicContact CG2-CG 3.66Å; L660-F738 HydrophobicContact CD2-CB 4.26Å; F738-I740 HydrophobicContact CE1-CD1 4.17Å; F738-I740 HydrophobicContact CE1-CG1 3.62Å; F738-I740 HydrophobicContact CZ-CG1 4.04Å; F738-A755 HydrophobicContact CE1-CB 4.34Å; F738-A755 HydrophobicContact CE2-CB 3.73Å; F738-A755 HydrophobicContact CZ-CB 3.56Å; F738-L756 WeakPolarHBondContact CA-O 3.47Å; F738-T757 HydrophobicContact CD2-CG2 4.01Å; F738-R765 PolarHBondContact O-NH2 3.28Å
739V97.4Very high89.9Confident0 Ų032.4 Ų32.40%018%0.182CC..EExtended strand (participates in β ladder)trans-143.5139.8173.1-63.90000111.5E656 I741 A755 L756 A761 A764 R765E656-V739 WeakPolarHBondContact OE1-CA 3.4Å; V739-I741 HydrophobicContact CG2-CG2 4.14Å; V739-A755 CarbonylContact O-C 3.56Å; V739-A755 WeakPolarHBondContact O-CA 3.38Å; V739-A755 VanDerWaalsContact O-CB 3.24Å; V739-A755 WeakPolarHBondContact O-CB 3.32Å; V739-L756 HydrophobicContact CG2-CB 3.88Å; V739-L756 HydrophobicContact CG2-CD1 4.28Å; V739-L756 HydrophobicContact CG2-CG 4.34Å; V739-L756 PolarHBondContact N-O 2.86Å; V739-L756 VanDerWaalsContact N-O 3.08Å; V739-L756 PolarHBondContact O-N 2.79Å; V739-A761 HydrophobicContact CG1-CB 4.44Å; V739-A761 HydrophobicContact CG2-CB 3.96Å; V739-A764 HydrophobicContact CG2-CB 3.85Å; V739-R765 HydrophobicContact CG1-CG 4.13Å
740I97.9Very high89.3Confident0 Ų034.2 Ų34.20%019%0.192CC..EExtended strand (participates in β ladder)trans-91.2111.6173.1-62174000108.1L614 I652 V655 E656 F738 I753 A755 S813 C814L614-I740 HydrophobicContact CD1-CD1 4.45Å; I652-I740 HydrophobicContact CG2-CB 4.13Å; I652-I740 HydrophobicContact CG2-CD1 3.97Å; I652-I740 HydrophobicContact CG2-CG2 4.07Å; V655-I740 HydrophobicContact CB-CD1 4.28Å; V655-I740 HydrophobicContact CG1-CD1 3.89Å; E656-I740 HydrophobicContact CG-CB 4.34Å; E656-I740 HydrophobicContact CG-CD1 3.92Å; E656-I740 HydrophobicContact CG-CG1 3.9Å; E656-I740 PolarHBondContact OE1-N 2.97Å; F738-I740 HydrophobicContact CE1-CD1 4.17Å; F738-I740 HydrophobicContact CE1-CG1 3.62Å; F738-I740 HydrophobicContact CZ-CG1 4.04Å; I740-I753 HydrophobicContact CG1-CG2 4.24Å; I740-I753 HydrophobicContact CG2-CG1 4.44Å; I740-I753 HydrophobicContact CG2-CG2 3.93Å; I740-A755 HydrophobicContact CG1-CB 4.36Å; I740-S813 CarbonylContact O-C 3.45Å; I740-S813 VanDerWaalsContact O-CA 3.26Å; I740-S813 WeakPolarHBondContact O-CA 3.49Å; I740-C814 PolarHBondContact O-N 2.85Å; I740-C814 PolarHBondContact O-SG 3.1Å
741I94.6Very high89.2Confident19 Ų1933.6 Ų33.610%0.09719%0.187CC..EExtended strand (participates in β ladder)trans-92.4-19.4-176.660165.9000113.4V739 V754 L756 Q811V739-I741 HydrophobicContact CG2-CG2 4.14Å; I741-V754 HydrophobicContact CD1-CB 4.45Å; I741-V754 HydrophobicContact CD1-CG1 3.82Å; I741-V754 HydrophobicContact CG1-CB 4.05Å; I741-V754 HydrophobicContact CG1-CG1 3.89Å; I741-V754 VanDerWaalsContact CG1-O 3.26Å; I741-V754 WeakPolarHBondContact CG1-O 3.49Å; I741-V754 PolarHBondContact N-O 3.14Å; I741-L756 HydrophobicContact CD1-CD1 4.41Å; I741-L756 HydrophobicContact CD1-CD2 4.13Å; I741-L756 HydrophobicContact CD1-CG 4.18Å; I741-L756 HydrophobicContact CG1-CG 4.5Å; I741-L756 HydrophobicContact CG2-CD1 3.64Å; I741-L756 HydrophobicContact CG2-CG 3.83Å; I741-Q811 HydrophobicContact CD1-CG 4.46Å; I741-Q811 HydrophobicContact CG2-CB 4.44Å
742C91.5Very high89.1Confident34 Ų3431.3 Ų31.323%0.2318%0.178CC..EExtended strand (participates in β ladder)trans-152.8141.5-179.6-165.70000110.9I753 V754C742-I753 WeakPolarHBondContact O-CA 3.27Å; C742-V754 HydrophobicContact CB-CB 4.16Å; C742-V754 HydrophobicContact CB-CG2 4.41Å; C742-V754 PolarHBondContact N-O 3.05Å; C742-V754 PolarHBondContact O-N 2.75Å
743E93.6Very high89.2Confident33 Ų3331.2 Ų31.215%0.15418%0.178CC..EExtended strand (participates in β ladder)trans-133.8123.1166.8-167.3-76.8145.500107.1L647 I652 R751 R752 I753L647-E743 HydrophobicContact CB-CG 4.48Å; L647-E743 HydrophobicContact CD1-CG 4.34Å; I652-E743 HydrophobicContact CD1-CB 3.84Å; I652-E743 HydrophobicContact CD1-CG 4.16Å; E743-R751 IonicContact OE1-CZ 3.96Å; E743-R751 IonicContact OE1-NE 2.7Å; E743-R751 PolarHBondContact OE1-NE 2.8Å; E743-R751 IonicContact OE1-NH2 3.57Å; E743-R751 PolarHBondContact OE1-NH2 2.73Å; E743-R751 IonicContact OE2-CZ 2.79Å; E743-R751 IonicContact OE2-NE 3.18Å; E743-R751 IonicContact OE2-NH2 2.67Å; E743-R751 PolarHBondContact OE2-NH2 2.77Å; E743-R752 CarbonylContact C-O 3.59Å; E743-R752 VanDerWaalsContact CA-O 3.3Å; E743-R752 WeakPolarHBondContact CA-O 3.31Å; E743-I753 HydrophobicContact CB-CG1 4.32Å; E743-I753 HydrophobicContact CG-CG1 3.93Å
744E89.6Confident89.2Confident87 Ų8731.5 Ų31.541%0.40718%0.176SC..EExtended strand (participates in β ladder)trans-146.2157-173.366-176.2-177.500113R751 R752E744-R751 CarbonylContact O-C 3.22Å; E744-R751 WeakPolarHBondContact O-CA 3.19Å; E744-R752 HydrophobicContact CG-CB 4.02Å; E744-R752 HydrophobicContact CG-CG 4.34Å; E744-R752 PolarHBondContact N-O 3.27Å; E744-R752 PolarHBondContact O-N 2.72Å; E744-R752 WeakPolarHBondContact OE1-CD 3.28Å
745A86.1Confident89.3Confident64 Ų6431 Ų3153%0.52917%0.174SC..EExtended strand (participates in β ladder)trans-73.6125.4168.500000109.5R751A745-R751 VanDerWaalsContact CB-NH1 3.35Å
746L76.3Confident89.3Confident80 Ų8031.5 Ų31.542%0.41918%0.176SC..EExtended strand (participates in β ladder)trans-91.8-47169-176.364.9000111.1I750 R752L746-I750 HydrophobicContact CB-CG2 4.23Å; L746-I750 HydrophobicContact CD2-CG2 4.21Å; L746-I750 PolarHBondContact N-O 3.5Å; L746-R752 HydrophobicContact CB-CB 4.5Å
747A68Low89.4Confident24 Ų2429 Ų2920%0.19816%0.163CC..EExtended strand (participates in β ladder)trans-150.7174.4176.600000108.8G749 I750A747-G749 PolarHBondContact O-N 2.93Å; A747-I750 HydrophobicContact CB-CB 4.36Å; A747-I750 HydrophobicContact CB-CD1 4.42Å; A747-I750 PolarHBondContact N-O 2.84Å; A747-I750 PolarHBondContact O-N 2.87Å
748R66Low89.3Confident54 Ų5428.3 Ų28.320%0.20416%0.159CC..THydrogen-bonded Turntrans-62.5122.1177.6-173.7167.3167.5-154.2-31.2110.4I368 E371 E372 I750I368-R748 PolarHBondContact O-NH2 3.41Å; I368-R748 VanDerWaalsContact O-NH2 3.12Å; E371-R748 VanDerWaalsContact CG-CZ 3.41Å; E371-R748 IonicContact OE1-CZ 2.73Å; E371-R748 IonicContact OE1-NE 3.25Å; E371-R748 PolarHBondContact OE1-NE 3.25Å; E371-R748 VanDerWaalsContact OE1-NE 3.16Å; E371-R748 IonicContact OE1-NH2 3.15Å; E371-R748 IonicContact OE2-CZ 2.64Å; E371-R748 IonicContact OE2-NE 3.5Å; E371-R748 PolarHBondContact OE2-NE 3.1Å; E371-R748 IonicContact OE2-NH2 3.22Å; E371-R748 PolarHBondContact OE2-NH2 2.99Å; E372-R748 VanDerWaalsContact N-NH1 3.19Å; E372-R748 IonicContact OE1-CZ 3.43Å; E372-R748 IonicContact OE1-NH1 2.73Å; E372-R748 PolarHBondContact OE1-NH1 3.07Å; R748-I750 VanDerWaalsContact C-N 3.29Å; R748-I750 PolarHBondContact O-N 3.47Å
749G75.2Confident88.8Confident34 Ų3429.7 Ų29.735%0.35117%0.169SC..THydrogen-bonded Turntrans78.42.5-176.100000115.5S642 A643 A747S642-G749 VanDerWaalsContact CA-O 3.32Å; S642-G749 WeakPolarHBondContact CA-O 3.44Å; A643-G749 PolarHBondContact N-O 3.06Å; A643-G749 VanDerWaalsContact N-O 3.08Å; A643-G749 CarbonylContact O-C 3.59Å; A643-G749 WeakPolarHBondContact O-CA 3.28Å; A747-G749 PolarHBondContact O-N 2.93Å
750I83.2Confident88.3Confident39 Ų3930.7 Ų30.720%0.218%0.176CC..EExtended strand (participates in β ladder)trans-123.4122.1179.2-54.4179.7000109.6K628 D640 F641 L746 A747 R748K628-I750 HydrophobicContact CB-CG2 4.26Å; K628-I750 HydrophobicContact CG-CD1 4.42Å; K628-I750 HydrophobicContact CG-CG1 4.42Å; K628-I750 HydrophobicContact CG-CG2 4.36Å; D640-I750 HydrophobicContact CB-CG2 4.45Å; F641-I750 WeakPolarHBondContact O-CA 3.39Å; L746-I750 HydrophobicContact CB-CG2 4.23Å; L746-I750 HydrophobicContact CD2-CG2 4.21Å; L746-I750 PolarHBondContact N-O 3.5Å; A747-I750 HydrophobicContact CB-CB 4.36Å; A747-I750 HydrophobicContact CB-CD1 4.42Å; A747-I750 PolarHBondContact N-O 2.84Å; A747-I750 PolarHBondContact O-N 2.87Å; R748-I750 VanDerWaalsContact C-N 3.29Å; R748-I750 PolarHBondContact O-N 3.47Å
751R91.6Very high88.2Confident44 Ų4430.7 Ų30.717%0.16618%0.176CC..EExtended strand (participates in β ladder)trans-109.4152.9177.3-55.5-58.9-66.8-170.6-3.2109.7D640 F641 A643 G646 E743 E744 A745D640-R751 CarbonylContact C-O 3.59Å; D640-R751 VanDerWaalsContact CA-O 3.31Å; D640-R751 WeakPolarHBondContact CA-O 3.3Å; F641-R751 HydrophobicContact CD1-CB 4.29Å; F641-R751 WeakPolarHBondContact CD1-O 3.4Å; F641-R751 HydrophobicContact CE1-CB 3.7Å; F641-R751 HydrophobicContact CE2-CB 4.11Å; F641-R751 HydrophobicContact CZ-CB 3.61Å; F641-R751 HydrophobicContact CZ-CG 4.39Å; F641-R751 PolarHBondContact N-O 3.39Å; F641-R751 PolarHBondContact O-N 2.88Å; A643-R751 HydrophobicContact CB-CG 3.78Å; G646-R751 VanDerWaalsContact CA-NH2 3.31Å; E743-R751 IonicContact OE1-CZ 3.96Å; E743-R751 IonicContact OE1-NE 2.7Å; E743-R751 PolarHBondContact OE1-NE 2.8Å; E743-R751 IonicContact OE1-NH2 3.57Å; E743-R751 PolarHBondContact OE1-NH2 2.73Å; E743-R751 IonicContact OE2-CZ 2.79Å; E743-R751 IonicContact OE2-NE 3.18Å; E743-R751 IonicContact OE2-NH2 2.67Å; E743-R751 PolarHBondContact OE2-NH2 2.77Å; E744-R751 CarbonylContact O-C 3.22Å; E744-R751 WeakPolarHBondContact O-CA 3.19Å; A745-R751 VanDerWaalsContact CB-NH1 3.35Å
752R92Very high88.2Confident43 Ų4334.6 Ų34.616%0.16219%0.19CC..EExtended strand (participates in β ladder)trans-123.4128.9177.7168.7169.7-71.7171.20.5109.4R638 F639 D640 E743 E744 L746 V754R638-R752 VanDerWaalsContact CD-NE 3.34Å; R638-R752 HydrophobicContact CG-CG 3.89Å; F639-R752 WeakPolarHBondContact O-CA 3.33Å; D640-R752 WeakPolarHBondContact OD1-CB 3.49Å; D640-R752 VanDerWaalsContact OD1-CG 3.32Å; D640-R752 WeakPolarHBondContact OD1-CG 3.41Å; D640-R752 IonicContact OD1-CZ 3.24Å; D640-R752 IonicContact OD1-NE 3.39Å; D640-R752 PolarHBondContact OD1-NE 3.44Å; D640-R752 IonicContact OD1-NH2 2.78Å; D640-R752 PolarHBondContact OD1-NH2 2.69Å; D640-R752 IonicContact OD2-CZ 3.87Å; D640-R752 IonicContact OD2-NE 2.84Å; D640-R752 IonicContact OD2-NH2 3.05Å; D640-R752 PolarHBondContact OD2-NH2 3.43Å; E743-R752 CarbonylContact C-O 3.59Å; E743-R752 VanDerWaalsContact CA-O 3.3Å; E743-R752 WeakPolarHBondContact CA-O 3.31Å; E744-R752 HydrophobicContact CG-CB 4.02Å; E744-R752 HydrophobicContact CG-CG 4.34Å; E744-R752 PolarHBondContact N-O 3.27Å; E744-R752 PolarHBondContact O-N 2.72Å; E744-R752 WeakPolarHBondContact OE1-CD 3.28Å; L746-R752 HydrophobicContact CB-CB 4.5Å; R752-V754 HydrophobicContact CG-CG2 4.35Å
753I96.5Very high88.2Confident0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-106.1137167.2-80.6166.8000109.1L614 L618 R638 F639 F641 I740 C742 E743 A755L614-I753 HydrophobicContact CD1-CD1 4.41Å; L614-I753 HydrophobicContact CD2-CG2 3.8Å; L618-I753 HydrophobicContact CD1-CD1 4.16Å; L618-I753 HydrophobicContact CD2-CD1 3.82Å; L618-I753 HydrophobicContact CG-CD1 4.5Å; R638-I753 CarbonylContact C-O 3.55Å; R638-I753 VanDerWaalsContact CA-O 3.32Å; R638-I753 WeakPolarHBondContact CA-O 3.48Å; F639-I753 PolarHBondContact N-O 3.19Å; F639-I753 PolarHBondContact O-N 3.23Å; F641-I753 HydrophobicContact CE1-CB 4.42Å; F641-I753 HydrophobicContact CE1-CD1 3.63Å; F641-I753 HydrophobicContact CE1-CG1 3.84Å; F641-I753 HydrophobicContact CZ-CD1 3.91Å; F641-I753 HydrophobicContact CZ-CG1 4.41Å; I740-I753 HydrophobicContact CG1-CG2 4.24Å; I740-I753 HydrophobicContact CG2-CG1 4.44Å; I740-I753 HydrophobicContact CG2-CG2 3.93Å; C742-I753 WeakPolarHBondContact O-CA 3.27Å; E743-I753 HydrophobicContact CB-CG1 4.32Å; E743-I753 HydrophobicContact CG-CG1 3.93Å; I753-A755 HydrophobicContact CG2-CB 4.41Å
754V94.9Very high88.1Confident23 Ų2338.5 Ų38.514%0.13920%0.199CC..EExtended strand (participates in β ladder)trans-116.2127.9165.5-175.20000108R636 L637 R638 I741 C742 R752R636-V754 HydrophobicContact CB-CG1 4.39Å; L637-V754 WeakPolarHBondContact O-CA 3.47Å; R638-V754 HydrophobicContact CG-CG2 4.24Å; I741-V754 HydrophobicContact CD1-CB 4.45Å; I741-V754 HydrophobicContact CD1-CG1 3.82Å; I741-V754 HydrophobicContact CG1-CB 4.05Å; I741-V754 HydrophobicContact CG1-CG1 3.89Å; I741-V754 VanDerWaalsContact CG1-O 3.26Å; I741-V754 WeakPolarHBondContact CG1-O 3.49Å; I741-V754 PolarHBondContact N-O 3.14Å; C742-V754 HydrophobicContact CB-CB 4.16Å; C742-V754 HydrophobicContact CB-CG2 4.41Å; C742-V754 PolarHBondContact N-O 3.05Å; C742-V754 PolarHBondContact O-N 2.75Å; R752-V754 HydrophobicContact CG-CG2 4.35Å
755A97.6Very high88.4Confident0 Ų037.8 Ų37.80%019%0.193CC..EExtended strand (participates in β ladder)trans-133.1159.8-178.500000112.1L637 F738 V739 I740 I753L637-A755 HydrophobicContact CD1-CB 3.79Å; L637-A755 HydrophobicContact CD2-CB 4.34Å; L637-A755 HydrophobicContact CG-CB 3.93Å; L637-A755 PolarHBondContact N-O 2.92Å; L637-A755 PolarHBondContact O-N 3.41Å; F738-A755 HydrophobicContact CE1-CB 4.34Å; F738-A755 HydrophobicContact CE2-CB 3.73Å; F738-A755 HydrophobicContact CZ-CB 3.56Å; V739-A755 CarbonylContact O-C 3.56Å; V739-A755 WeakPolarHBondContact O-CA 3.38Å; V739-A755 VanDerWaalsContact O-CB 3.24Å; V739-A755 WeakPolarHBondContact O-CB 3.32Å; I740-A755 HydrophobicContact CG1-CB 4.36Å; I753-A755 HydrophobicContact CG2-CB 4.41Å
756L95.5Very high88.8Confident11 Ų1141 Ų416%0.05820%0.197CC..EExtended strand (participates in β ladder)trans-118.6149.4178.2-53.9177.7000109.3D635 R636 F738 V739 I741 A760 A761 A764D635-L756 VanDerWaalsContact O-CD2 3.31Å; D635-L756 WeakPolarHBondContact O-CD2 3.42Å; R636-L756 HydrophobicContact CB-CD2 3.93Å; F738-L756 WeakPolarHBondContact CA-O 3.47Å; V739-L756 HydrophobicContact CG2-CB 3.88Å; V739-L756 HydrophobicContact CG2-CD1 4.28Å; V739-L756 HydrophobicContact CG2-CG 4.34Å; V739-L756 PolarHBondContact N-O 2.86Å; V739-L756 VanDerWaalsContact N-O 3.08Å; V739-L756 PolarHBondContact O-N 2.79Å; I741-L756 HydrophobicContact CD1-CD1 4.41Å; I741-L756 HydrophobicContact CD1-CD2 4.13Å; I741-L756 HydrophobicContact CD1-CG 4.18Å; I741-L756 HydrophobicContact CG1-CG 4.5Å; I741-L756 HydrophobicContact CG2-CD1 3.64Å; I741-L756 HydrophobicContact CG2-CG 3.83Å; L756-A760 HydrophobicContact CB-CB 4.09Å; L756-A760 HydrophobicContact CD1-CB 4.31Å; L756-A760 HydrophobicContact CD2-CB 4.46Å; L756-A761 HydrophobicContact CB-CB 4.33Å; L756-A764 HydrophobicContact CD1-CB 4.45Å
757T96.8Very high89.7Confident5 Ų542.2 Ų42.23%0.03120%0.196CC..EExtended strand (participates in β ladder)trans-124.9168.9171.268.30000112.7N607 A610 L637 I735 D737 F738 A760 A761N607-T757 WeakPolarHBondContact OD1-CB 3.35Å; N607-T757 WeakPolarHBondContact OD1-CG2 3.3Å; N607-T757 PolarHBondContact OD1-OG1 3.44Å; A610-T757 HydrophobicContact CB-CG2 3.47Å; A610-T757 VanDerWaalsContact CB-CG2 3.47Å; L637-T757 HydrophobicContact CD2-CG2 4.19Å; I735-T757 HydrophobicContact CG2-CG2 3.94Å; D737-T757 CarbonylContact O-C 3.57Å; D737-T757 WeakPolarHBondContact O-CA 3.32Å; F738-T757 HydrophobicContact CD2-CG2 4.01Å; T757-A760 PolarHBondContact O-N 3.35Å; T757-A761 PolarHBondContact O-N 3.15Å
758G92.5Very high91Very high0 Ų041.2 Ų41.20%019%0.187CC..Hα-helixtrans54.1-129.6168.900000114.1I735 D736 D737 A760 A761 R762I735-G758 WeakPolarHBondContact O-CA 3.16Å; I735-G758 PolarHBondContact O-N 3.48Å; D736-G758 VanDerWaalsContact OD2-CA 3.28Å; D736-G758 WeakPolarHBondContact OD2-CA 3.47Å; D737-G758 PolarHBondContact O-N 3.12Å; G758-A760 VanDerWaalsContact C-N 3.27Å; G758-A760 PolarHBondContact O-N 3.48Å; G758-A761 PolarHBondContact O-N 3.19Å; G758-R762 PolarHBondContact O-N 2.97Å
759P87.6Confident92.4Very high30 Ų3041 Ų4120%0.19520%0.197CC..Hα-helixtrans-57.7-35.1-177.8-22.831.7000114.4L603 R763L603-P759 HydrophobicContact CD2-CG 4.41Å; P759-R763 WeakPolarHBondContact O-CG 3.26Å; P759-R763 PolarHBondContact O-N 2.91Å; P759-R763 VanDerWaalsContact O-N 3.11Å
760A86.6Confident93.4Very high20 Ų2043.9 Ų43.917%0.16520%0.201CC..Hα-helixtrans-70-42.2179.800000111.5L756 T757 G758 R763 A764L756-A760 HydrophobicContact CB-CB 4.09Å; L756-A760 HydrophobicContact CD1-CB 4.31Å; L756-A760 HydrophobicContact CD2-CB 4.46Å; T757-A760 PolarHBondContact O-N 3.35Å; G758-A760 VanDerWaalsContact C-N 3.27Å; G758-A760 PolarHBondContact O-N 3.48Å; A760-R763 PolarHBondContact O-N 3.43Å; A760-A764 PolarHBondContact O-N 2.84Å; A760-A764 VanDerWaalsContact O-N 3.08Å
761A95.7Very high94Very high0 Ų042.5 Ų42.50%019%0.194CC..Hα-helixtrans-64.3-43.5174.500000112.6D737 V739 L756 T757 G758 R763 A764 R765D737-A761 HydrophobicContact CB-CB 3.8Å; V739-A761 HydrophobicContact CG1-CB 4.44Å; V739-A761 HydrophobicContact CG2-CB 3.96Å; L756-A761 HydrophobicContact CB-CB 4.33Å; T757-A761 PolarHBondContact O-N 3.15Å; G758-A761 PolarHBondContact O-N 3.19Å; A761-R763 VanDerWaalsContact C-N 3.34Å; A761-R763 PolarHBondContact O-N 3.4Å; A761-A764 VanDerWaalsContact O-CB 3.31Å; A761-A764 WeakPolarHBondContact O-CB 3.24Å; A761-A764 PolarHBondContact O-N 3.34Å; A761-A764 VanDerWaalsContact O-N 3.1Å; A761-R765 PolarHBondContact O-N 3.33Å
762R94.4Very high94.2Very high102 Ų10242.1 Ų42.139%0.38520%0.195SC..Hα-helixtrans-59.6-42.7175.2-71.4-166-56.9-101.6-5.7112.7D736 D737 G758 A764 R765 Q766D736-R762 IonicContact OD1-CZ 3.31Å; D736-R762 IonicContact OD1-NH1 2.89Å; D736-R762 PolarHBondContact OD1-NH1 2.78Å; D736-R762 IonicContact OD2-CZ 3.78Å; D736-R762 IonicContact OD2-NH1 2.84Å; D736-R762 PolarHBondContact OD2-NH1 3.47Å; D737-R762 HydrophobicContact CB-CG 3.92Å; G758-R762 PolarHBondContact O-N 2.97Å; R762-A764 VanDerWaalsContact C-N 3.3Å; R762-A764 PolarHBondContact O-N 2.89Å; R762-R765 PolarHBondContact O-N 3.17Å; R762-Q766 WeakPolarHBondContact O-CG 3.43Å; R762-Q766 PolarHBondContact O-N 2.72Å
763R92Very high94.4Very high146 Ų14645.7 Ų45.755%0.55121%0.214SC*.Hα-helixtrans-61.9-38.6175.5-76.3-172.8-62.5-100.84.1111.7P759 A760 A761 Q766 R767P759-R763 WeakPolarHBondContact O-CG 3.26Å; P759-R763 PolarHBondContact O-N 2.91Å; P759-R763 VanDerWaalsContact O-N 3.11Å; A760-R763 PolarHBondContact O-N 3.43Å; A761-R763 VanDerWaalsContact C-N 3.34Å; A761-R763 PolarHBondContact O-N 3.4Å; R763-Q766 PolarHBondContact O-N 3.43Å; R763-R767 WeakPolarHBondContact O-CB 3.35Å; R763-R767 PolarHBondContact O-N 3.24Å
764A92.8Very high94.3Very high2 Ų249 Ų492%0.01723%0.226CC..Hα-helixtrans-62.4-45.3174.600000111.7V739 L756 A760 A761 R762 R767 C768 Q811 I812V739-A764 HydrophobicContact CG2-CB 3.85Å; L756-A764 HydrophobicContact CD1-CB 4.45Å; A760-A764 PolarHBondContact O-N 2.84Å; A760-A764 VanDerWaalsContact O-N 3.08Å; A761-A764 VanDerWaalsContact O-CB 3.31Å; A761-A764 WeakPolarHBondContact O-CB 3.24Å; A761-A764 PolarHBondContact O-N 3.34Å; A761-A764 VanDerWaalsContact O-N 3.1Å; R762-A764 VanDerWaalsContact C-N 3.3Å; R762-A764 PolarHBondContact O-N 2.89Å; A764-R767 WeakPolarHBondContact O-CB 3.15Å; A764-R767 PolarHBondContact O-N 2.91Å; A764-C768 PolarHBondContact O-N 3.45Å; A764-Q811 VanDerWaalsContact CB-O 3.23Å; A764-Q811 WeakPolarHBondContact CB-O 3.13Å; A764-I812 WeakPolarHBondContact O-CG2 3.44Å
765R94.9Very high94.3Very high73 Ų7348 Ų4828%0.27522%0.22SC..Hα-helixtrans-63.2-44.2174.8-69-161.8-170.5-74.8-10.9113.4D737 F738 V739 A761 R762 R767 C768 A769D737-R765 VanDerWaalsContact CG-NE 3.31Å; D737-R765 IonicContact OD1-CZ 3.03Å; D737-R765 IonicContact OD1-NE 2.88Å; D737-R765 PolarHBondContact OD1-NE 3.3Å; D737-R765 IonicContact OD1-NH2 3.47Å; D737-R765 PolarHBondContact OD1-NH2 3.04Å; D737-R765 WeakPolarHBondContact OD2-CD 3.19Å; D737-R765 IonicContact OD2-NE 3.17Å; D737-R765 PolarHBondContact OD2-NE 3.29Å; F738-R765 PolarHBondContact O-NH2 3.28Å; V739-R765 HydrophobicContact CG1-CG 4.13Å; A761-R765 PolarHBondContact O-N 3.33Å; R762-R765 PolarHBondContact O-N 3.17Å; R765-R767 VanDerWaalsContact C-N 3.26Å; R765-R767 PolarHBondContact O-N 2.88Å; R765-C768 WeakPolarHBondContact O-CB 3.44Å; R765-C768 PolarHBondContact O-N 3.04Å; R765-C768 VanDerWaalsContact O-N 3.16Å; R765-A769 PolarHBondContact O-N 3.34Å
766Q95.1Very high94.2Very high132 Ų13254.6 Ų54.662%0.61725%0.245SC*.Hα-helixtrans-59.3-40.2176.2-73.9173.1-1200111.5R762 R763 A769 H770R762-Q766 WeakPolarHBondContact O-CG 3.43Å; R762-Q766 PolarHBondContact O-N 2.72Å; R763-Q766 PolarHBondContact O-N 3.43Å; Q766-A769 PolarHBondContact O-N 2.89Å; Q766-H770 PolarHBondContact O-N 3.01Å
767R93.8Very high94.2Very high104 Ų10457.9 Ų57.939%0.39227%0.269SS..Hα-helixtrans-64.7-42.7174.8-171.4-177.5-67.3151.3-7.7111.9R763 A764 R765 H770 F771 Q811 I812R763-R767 WeakPolarHBondContact O-CB 3.35Å; R763-R767 PolarHBondContact O-N 3.24Å; A764-R767 WeakPolarHBondContact O-CB 3.15Å; A764-R767 PolarHBondContact O-N 2.91Å; R765-R767 VanDerWaalsContact C-N 3.26Å; R765-R767 PolarHBondContact O-N 2.88Å; R767-H770 WeakPolarHBondContact O-CB 3.39Å; R767-H770 PolarHBondContact O-N 2.93Å; R767-F771 HydrophobicContact CG-CD2 4.21Å; R767-F771 HydrophobicContact CG-CE2 3.57Å; R767-F771 HydrophobicContact CG-CZ 3.8Å; R767-F771 VanDerWaalsContact O-CD2 3.3Å; R767-F771 WeakPolarHBondContact O-CD2 3.3Å; R767-F771 WeakPolarHBondContact O-CG 3.4Å; R767-F771 PolarHBondContact O-N 2.94Å; R767-Q811 PolarHBondContact NH1-O 2.94Å; R767-I812 HydrophobicContact CB-CG2 4.03Å; R767-I812 HydrophobicContact CG-CG2 4.07Å
768C95.7Very high94Very high3 Ų358.2 Ų58.22%0.0227%0.27CS..Hα-helixtrans-61.2-42.7174.2-1740000112.2A764 R765 H770 F771 N772 I812 E816A764-C768 PolarHBondContact O-N 3.45Å; R765-C768 WeakPolarHBondContact O-CB 3.44Å; R765-C768 PolarHBondContact O-N 3.04Å; R765-C768 VanDerWaalsContact O-N 3.16Å; C768-H770 VanDerWaalsContact C-N 3.34Å; C768-H770 PolarHBondContact O-N 3.42Å; C768-F771 PolarHBondContact O-N 2.81Å; C768-N772 PolarHBondContact O-N 2.91Å; C768-N772 PolarHBondContact O-ND2 3.2Å; C768-I812 HydrophobicContact CB-CB 4.31Å; C768-I812 HydrophobicContact CB-CD1 4.42Å; C768-I812 HydrophobicContact CB-CG2 4.19Å; C768-E816 PolarHBondContact SG-OE1 3.42Å; C768-E816 PolarHBondContact SG-OE2 2.93Å
769A96Very high94Very high51 Ų5161.6 Ų61.642%0.42129%0.286SS..Hα-helixtrans-60-44.3175.100000111.6R765 Q766 F771 N772 E773R765-A769 PolarHBondContact O-N 3.34Å; Q766-A769 PolarHBondContact O-N 2.89Å; A769-F771 PolarHBondContact O-N 3.38Å; A769-N772 WeakPolarHBondContact O-CB 3.5Å; A769-N772 PolarHBondContact O-N 3.39Å; A769-E773 PolarHBondContact O-N 3.01Å
770H95.6Very high94.2Very high93 Ų9367 Ų6743%0.43131%0.308SS..Hα-helixtrans-60.8-41.1175.6-178.168.8000112.8Q766 R767 C768 E773 R774Q766-H770 PolarHBondContact O-N 3.01Å; R767-H770 WeakPolarHBondContact O-CB 3.39Å; R767-H770 PolarHBondContact O-N 2.93Å; C768-H770 VanDerWaalsContact C-N 3.34Å; C768-H770 PolarHBondContact O-N 3.42Å; H770-E773 PolarHBondContact O-N 2.86Å; H770-R774 VanDerWaalsContact NE2-CD 3.31Å; H770-R774 WeakPolarHBondContact NE2-CD 3.42Å; H770-R774 WeakPolarHBondContact O-CG 3.38Å; H770-R774 PolarHBondContact O-N 2.72Å
771F96.5Very high94.3Very high10 Ų1067.7 Ų67.74%0.04431%0.312CS..Hα-helixtrans-64.2-41174.5-66.5-41.3000112.5R767 C768 A769 E773 R774 L775 L803 E806 V807 S810 I812 L820R767-F771 HydrophobicContact CG-CD2 4.21Å; R767-F771 HydrophobicContact CG-CE2 3.57Å; R767-F771 HydrophobicContact CG-CZ 3.8Å; R767-F771 VanDerWaalsContact O-CD2 3.3Å; R767-F771 WeakPolarHBondContact O-CD2 3.3Å; R767-F771 WeakPolarHBondContact O-CG 3.4Å; R767-F771 PolarHBondContact O-N 2.94Å; C768-F771 PolarHBondContact O-N 2.81Å; A769-F771 PolarHBondContact O-N 3.38Å; F771-E773 VanDerWaalsContact C-N 3.35Å; F771-E773 PolarHBondContact O-N 2.9Å; F771-R774 PolarHBondContact O-N 3.48Å; F771-L775 WeakPolarHBondContact O-CB 3.48Å; F771-L775 PolarHBondContact O-N 3.11Å; F771-L803 HydrophobicContact CD1-CD1 3.65Å; F771-L803 HydrophobicContact CE1-CD1 4.25Å; F771-L803 HydrophobicContact CG-CD1 4.44Å; F771-E806 HydrophobicContact CE1-CB 4.07Å; F771-E806 HydrophobicContact CZ-CB 4.41Å; F771-V807 HydrophobicContact CB-CG2 4.14Å; F771-V807 HydrophobicContact CD1-CG2 3.97Å; F771-V807 HydrophobicContact CD2-CG2 3.84Å; F771-V807 HydrophobicContact CE1-CG2 4.26Å; F771-V807 HydrophobicContact CE2-CG2 4.13Å; F771-V807 HydrophobicContact CG-CG2 3.74Å; F771-V807 HydrophobicContact CZ-CG2 4.34Å; F771-S810 WeakPolarHBondContact CE2-OG 3.46Å; F771-I812 HydrophobicContact CD2-CD1 4.06Å; F771-I812 HydrophobicContact CD2-CG2 4.48Å; F771-I812 HydrophobicContact CE2-CD1 4.29Å; F771-I812 HydrophobicContact CE2-CG2 4.19Å; F771-L820 HydrophobicContact CB-CD1 4.1Å
772N95.8Very high93.7Very high36 Ų3676.8 Ų76.819%0.19335%0.347CS..Hα-helixtrans-62.4-40.1175.4-84-72.2000112.3C768 A769 L775 R776C768-N772 PolarHBondContact O-N 2.91Å; C768-N772 PolarHBondContact O-ND2 3.2Å; A769-N772 WeakPolarHBondContact O-CB 3.5Å; A769-N772 PolarHBondContact O-N 3.39Å; N772-L775 PolarHBondContact O-N 3.11Å; N772-R776 WeakPolarHBondContact O-CG 3.14Å; N772-R776 PolarHBondContact O-N 2.96Å
773E95.8Very high92.9Very high119 Ų11974.2 Ų74.256%0.55634%0.343SS*.Hα-helixtrans-63.3-44.3174.5-73.8176.6175.600112.1A769 H770 F771 R776 S777A769-E773 PolarHBondContact O-N 3.01Å; H770-E773 PolarHBondContact O-N 2.86Å; F771-E773 VanDerWaalsContact C-N 3.35Å; F771-E773 PolarHBondContact O-N 2.9Å; E773-R776 PolarHBondContact O-N 3.17Å; E773-S777 WeakPolarHBondContact O-CB 3.42Å; E773-S777 PolarHBondContact O-N 2.87Å
774R95.2Very high91.5Very high69 Ų6970.4 Ų70.426%0.2635%0.349SS..Hα-helixtrans-62.8-42.1175.4-74.6178.959.3-175.9-3.1112.2H770 F771 S777 I778 L803 E806H770-R774 VanDerWaalsContact NE2-CD 3.31Å; H770-R774 WeakPolarHBondContact NE2-CD 3.42Å; H770-R774 WeakPolarHBondContact O-CG 3.38Å; H770-R774 PolarHBondContact O-N 2.72Å; F771-R774 PolarHBondContact O-N 3.48Å; R774-S777 WeakPolarHBondContact O-CB 3.42Å; R774-S777 PolarHBondContact O-N 2.64Å; R774-I778 WeakPolarHBondContact O-CG1 3.49Å; R774-I778 PolarHBondContact O-N 3.29Å; R774-L803 HydrophobicContact CB-CD1 4.38Å; R774-L803 HydrophobicContact CB-CD2 4.04Å; R774-E806 IonicContact CZ-OE1 3.51Å; R774-E806 IonicContact CZ-OE2 3.02Å; R774-E806 VanDerWaalsContact NH1-CD 3.3Å; R774-E806 IonicContact NH1-OE1 2.71Å; R774-E806 PolarHBondContact NH1-OE1 2.93Å; R774-E806 IonicContact NH1-OE2 3.92Å; R774-E806 PolarHBondContact NH1-OE2 2.61Å; R774-E806 IonicContact NH2-OE1 3.81Å; R774-E806 PolarHBondContact NH2-OE1 3Å; R774-E806 IonicContact NH2-OE2 3.58Å
775L95Very high90.1Very high1 Ų173.3 Ų73.31%0.00538%0.38CS..Hα-helixtrans-59.1-49174.3174.656000110.8F771 N772 S777 I778 E779 L803 L820 R823 L824 L827F771-L775 WeakPolarHBondContact O-CB 3.48Å; F771-L775 PolarHBondContact O-N 3.11Å; N772-L775 PolarHBondContact O-N 3.11Å; L775-S777 VanDerWaalsContact C-N 3.32Å; L775-S777 PolarHBondContact O-N 3.26Å; L775-I778 PolarHBondContact O-N 2.93Å; L775-I778 VanDerWaalsContact O-N 3.12Å; L775-E779 HydrophobicContact CD1-CG 4.06Å; L775-E779 HydrophobicContact CG-CG 4.44Å; L775-E779 WeakPolarHBondContact O-CG 3.19Å; L775-E779 PolarHBondContact O-N 3.11Å; L775-L803 HydrophobicContact CB-CD2 4.38Å; L775-L820 HydrophobicContact CD2-CD2 3.97Å; L775-R823 HydrophobicContact CD2-CB 4.3Å; L775-R823 VanDerWaalsContact CD2-CZ 3.43Å; L775-L824 HydrophobicContact CD1-CD2 3.73Å; L775-L824 HydrophobicContact CD1-CG 4.36Å; L775-L827 HydrophobicContact CD1-CD2 3.75Å
776R95.2Very high88.1Confident140 Ų14079.3 Ų79.353%0.52841%0.411SS..Hα-helixtrans-58-42.4175.7-72173.9-171.7162.23.7112.3N772 E773 I778 E779 Q780N772-R776 WeakPolarHBondContact O-CG 3.14Å; N772-R776 PolarHBondContact O-N 2.96Å; E773-R776 PolarHBondContact O-N 3.17Å; R776-I778 VanDerWaalsContact C-N 3.33Å; R776-I778 PolarHBondContact O-N 2.91Å; R776-E779 PolarHBondContact O-N 2.77Å; R776-Q780 WeakPolarHBondContact O-CB 3.34Å; R776-Q780 VanDerWaalsContact O-CG 3.25Å; R776-Q780 WeakPolarHBondContact O-CG 3.45Å; R776-Q780 PolarHBondContact O-N 2.81Å
777S94.4Very high86.2Confident80 Ų8077.9 Ų77.956%0.55941%0.411SS*.Hα-helixtrans-60.9-41.2176.6-178.10000112E773 R774 L775 S781E773-S777 WeakPolarHBondContact O-CB 3.42Å; E773-S777 PolarHBondContact O-N 2.87Å; R774-S777 WeakPolarHBondContact O-CB 3.42Å; R774-S777 PolarHBondContact O-N 2.64Å; L775-S777 VanDerWaalsContact C-N 3.32Å; L775-S777 PolarHBondContact O-N 3.26Å; S777-S781 PolarHBondContact O-N 3.18Å; S777-S781 VanDerWaalsContact O-N 3.14Å
778I93.1Very high84.6Confident12 Ų1275 Ų756%0.06241%0.405CS..Hα-helixtrans-67.4-48174.9-64.8168.2000110.4R774 L775 R776 Q780 S781 K796 K799 I800 L803 L827R774-I778 WeakPolarHBondContact O-CG1 3.49Å; R774-I778 PolarHBondContact O-N 3.29Å; L775-I778 PolarHBondContact O-N 2.93Å; L775-I778 VanDerWaalsContact O-N 3.12Å; R776-I778 VanDerWaalsContact C-N 3.33Å; R776-I778 PolarHBondContact O-N 2.91Å; I778-Q780 VanDerWaalsContact C-N 3.29Å; I778-Q780 PolarHBondContact O-N 2.95Å; I778-S781 WeakPolarHBondContact O-CB 3.43Å; I778-S781 PolarHBondContact O-N 2.88Å; I778-S781 VanDerWaalsContact O-N 3.16Å; I778-S781 PolarHBondContact O-OG 3.41Å; I778-K796 HydrophobicContact CG2-CG 4.01Å; I778-K796 WeakPolarHBondContact O-CE 3.24Å; I778-K796 PolarHBondContact O-NZ 2.96Å; I778-K799 HydrophobicContact CD1-CB 4.02Å; I778-K799 HydrophobicContact CG1-CB 4.3Å; I778-I800 HydrophobicContact CD1-CG1 4.44Å; I778-I800 HydrophobicContact CG2-CD1 4.09Å; I778-I800 HydrophobicContact CG2-CG1 3.67Å; I778-L803 HydrophobicContact CD1-CD2 3.78Å; I778-L827 HydrophobicContact CG2-CD2 3.86Å
779E92.3Very high83.2Confident70 Ų7079.6 Ų79.633%0.32743%0.426SS..Hα-helixtrans-54.2-46.3178-73.4170.3163.800111L775 R776 S781 K796 R823 L827L775-E779 HydrophobicContact CD1-CG 4.06Å; L775-E779 HydrophobicContact CG-CG 4.44Å; L775-E779 WeakPolarHBondContact O-CG 3.19Å; L775-E779 PolarHBondContact O-N 3.11Å; R776-E779 PolarHBondContact O-N 2.77Å; E779-S781 VanDerWaalsContact C-N 3.34Å; E779-S781 PolarHBondContact O-N 2.91Å; E779-K796 PolarHBondContact O-NZ 3.09Å; E779-R823 IonicContact OE1-NH2 2.75Å; E779-R823 PolarHBondContact OE1-NH2 3.44Å; E779-R823 IonicContact OE2-NH2 3.6Å; E779-L827 HydrophobicContact CG-CD1 4.4Å; E779-L827 HydrophobicContact CG-CD2 3.9Å
780Q91.3Very high82.3Confident143 Ų14379.4 Ų79.467%0.66842%0.418SS*.Hα-helixtrans-74.6-17-178.6-69.2173.33.200114.6R776 I778 R782R776-Q780 WeakPolarHBondContact O-CB 3.34Å; R776-Q780 VanDerWaalsContact O-CG 3.25Å; R776-Q780 WeakPolarHBondContact O-CG 3.45Å; R776-Q780 PolarHBondContact O-N 2.81Å; I778-Q780 VanDerWaalsContact C-N 3.29Å; I778-Q780 PolarHBondContact O-N 2.95Å; Q780-R782 PolarHBondContact O-N 3.31Å
781S88.7Confident81.7Confident35 Ų3583.7 Ų83.725%0.24543%0.43CS..  trans-61.1129.1179.566.70000111.7S777 I778 E779 K796S777-S781 PolarHBondContact O-N 3.18Å; S777-S781 VanDerWaalsContact O-N 3.14Å; I778-S781 WeakPolarHBondContact O-CB 3.43Å; I778-S781 PolarHBondContact O-N 2.88Å; I778-S781 VanDerWaalsContact O-N 3.16Å; I778-S781 PolarHBondContact O-OG 3.41Å; E779-S781 VanDerWaalsContact C-N 3.34Å; E779-S781 PolarHBondContact O-N 2.91Å; S781-K796 PolarHBondContact O-NZ 3.49Å; S781-K796 WeakPolarHBondContact OG-CD 3.46Å; S781-K796 VanDerWaalsContact OG-CE 3.24Å; S781-K796 WeakPolarHBondContact OG-CE 3.1Å; S781-K796 PolarHBondContact OG-NZ 2.99Å
782R83.2Confident81.3Confident191 Ų19184.9 Ų84.972%0.72144%0.436SS*.  trans-117.3149.2178.2-60.9-61-174.4-148.8-0.3110.8Q780 F792Q780-R782 PolarHBondContact O-N 3.31Å; R782-F792 WeakPolarHBondContact O-CE2 3.46Å
783P77.8Confident80.9Confident48 Ų4884.7 Ų84.731%0.31243%0.432SS..  trans-62.4138171.525.5-31.7000110.3F792P783-F792 HydrophobicContact CB-CB 4.41Å; P783-F792 HydrophobicContact CB-CD1 3.88Å; P783-F792 HydrophobicContact CB-CD2 4.39Å; P783-F792 HydrophobicContact CB-CE1 4.28Å; P783-F792 HydrophobicContact CB-CG 3.96Å; P783-F792 HydrophobicContact CG-CD1 4.45Å; P783-F792 HydrophobicContact CG-CE1 4.48Å
784G63.9Low80.4Confident66 Ų6684.6 Ų84.668%0.6843%0.43SS*.SBendtrans-88110.5177.300000111
785G62.7Low80.2Confident64 Ų6485.1 Ų85.166%0.6644%0.437SS*.SBendtrans106.9170.1177.500000114.6V787G785-V787 VanDerWaalsContact C-N 3.29Å; G785-V787 PolarHBondContact O-N 3.19Å
786E54Low80Confident199 Ų19986 Ų8693%0.9344%0.441SS*.SBendtrans-75.6-15.5-179-71.7-171.5155.800113.8
787V54.7Low79.9Confident101 Ų10183.1 Ų83.161%0.61243%0.432SS*.SBendtrans-94.9123-177.5-173.90000109G785 E789G785-V787 VanDerWaalsContact C-N 3.29Å; G785-V787 PolarHBondContact O-N 3.19Å; V787-E789 PolarHBondContact O-N 3.45Å
788V59.1Low79.8Confident45 Ų4583.1 Ų83.127%0.27343%0.433SS..  trans-59.8104.1173.8175.40000109.1D790 Y793 A838V788-D790 PolarHBondContact O-N 3.06Å; V788-Y793 HydrophobicContact CG1-CE2 4.11Å; V788-A838 HydrophobicContact CB-CB 4.22Å; V788-A838 HydrophobicContact CG1-CB 3.23Å; V788-A838 HydrophobicContact CG2-CB 3.98Å
789E67.8Low79.9Confident99 Ų9988.3 Ų88.346%0.46345%0.454SS..  trans-86.7108.5172.1-68.2-169.8171.400110V787 R791 F792V787-E789 PolarHBondContact O-N 3.45Å; E789-R791 HydrophobicContact CB-CB 4.38Å; E789-R791 PolarHBondContact O-N 3Å; E789-R791 VanDerWaalsContact O-N 3.08Å; E789-F792 HydrophobicContact CB-CB 4.25Å; E789-F792 WeakPolarHBondContact O-CB 3.48Å; E789-F792 PolarHBondContact O-N 3.14Å
790D76.1Confident80Confident46 Ų4685 Ų8525%0.24644%0.439CS..Hα-helixtrans-48.2-33.8166.5171.662.7000111.7V788 F792 Y793 K794 N835 Q839V788-D790 PolarHBondContact O-N 3.06Å; D790-F792 VanDerWaalsContact C-N 3.32Å; D790-F792 PolarHBondContact O-N 3.27Å; D790-Y793 PolarHBondContact O-N 2.9Å; D790-K794 WeakPolarHBondContact O-CB 3.34Å; D790-K794 WeakPolarHBondContact O-CG 3.44Å; D790-K794 PolarHBondContact O-N 2.84Å; D790-K794 WeakPolarHBondContact OD1-CE 3.4Å; D790-K794 IonicContact OD1-NZ 2.76Å; D790-K794 WeakPolarHBondContact OD2-CD 3.43Å; D790-K794 WeakPolarHBondContact OD2-CE 3.29Å; D790-K794 IonicContact OD2-NZ 3.49Å; D790-K794 PolarHBondContact OD2-NZ 2.76Å; D790-N835 PolarHBondContact OD1-ND2 3.49Å; D790-N835 PolarHBondContact OD1-OD1 3Å; D790-Q839 PolarHBondContact OD1-NE2 3.22Å
791R82.5Confident80.1Confident183 Ų18380.4 Ų80.469%0.69142%0.421SS*.Hα-helixtrans-56-41.5173-169.3-179.9-176.6-177.31.7113E789 K794 I795E789-R791 HydrophobicContact CB-CB 4.38Å; E789-R791 PolarHBondContact O-N 3Å; E789-R791 VanDerWaalsContact O-N 3.08Å; R791-K794 PolarHBondContact O-N 2.9Å; R791-I795 HydrophobicContact CG-CD1 3.89Å; R791-I795 WeakPolarHBondContact O-CB 3.35Å; R791-I795 VanDerWaalsContact O-CG1 3.25Å; R791-I795 WeakPolarHBondContact O-CG1 3.34Å; R791-I795 PolarHBondContact O-N 2.92Å
792F87.9Confident80.3Confident36 Ų3680.5 Ų80.516%0.15842%0.424CS..Hα-helixtrans-62.1-50179.3171.7-95.7000111.2R782 P783 E789 D790 K794 I795 K796R782-F792 WeakPolarHBondContact O-CE2 3.46Å; P783-F792 HydrophobicContact CB-CB 4.41Å; P783-F792 HydrophobicContact CB-CD1 3.88Å; P783-F792 HydrophobicContact CB-CD2 4.39Å; P783-F792 HydrophobicContact CB-CE1 4.28Å; P783-F792 HydrophobicContact CB-CG 3.96Å; P783-F792 HydrophobicContact CG-CD1 4.45Å; P783-F792 HydrophobicContact CG-CE1 4.48Å; E789-F792 HydrophobicContact CB-CB 4.25Å; E789-F792 WeakPolarHBondContact O-CB 3.48Å; E789-F792 PolarHBondContact O-N 3.14Å; D790-F792 VanDerWaalsContact C-N 3.32Å; D790-F792 PolarHBondContact O-N 3.27Å; F792-K794 PolarHBondContact O-N 2.92Å; F792-I795 PolarHBondContact O-N 2.99Å; F792-K796 HydrophobicContact CE1-CD 3.9Å; F792-K796 HydrophobicContact CZ-CD 3.94Å; F792-K796 WeakPolarHBondContact O-CB 3.43Å; F792-K796 PolarHBondContact O-N 3.36Å
793Y88Confident80.9Confident31 Ų3171.5 Ų71.512%0.12239%0.39CS..Hα-helixtrans-67.5-36.8-179.5-68.3-78.2000112.2V788 D790 K796 K797 V831 T834 N835 A838V788-Y793 HydrophobicContact CG1-CE2 4.11Å; D790-Y793 PolarHBondContact O-N 2.9Å; Y793-K796 PolarHBondContact O-N 2.97Å; Y793-K797 VanDerWaalsContact O-CB 3.25Å; Y793-K797 WeakPolarHBondContact O-CB 3.36Å; Y793-K797 PolarHBondContact O-N 2.71Å; Y793-V831 HydrophobicContact CD1-CG1 4.18Å; Y793-T834 HydrophobicContact CE1-CG2 3.5Å; Y793-T834 WeakPolarHBondContact OH-CG2 3.39Å; Y793-N835 VanDerWaalsContact CB-CG 3.48Å; Y793-N835 WeakPolarHBondContact CB-OD1 3.28Å; Y793-N835 HydrophobicContact CD1-CB 4.25Å; Y793-N835 HydrophobicContact CD2-CB 4.18Å; Y793-N835 WeakPolarHBondContact CD2-OD1 3.18Å; Y793-N835 HydrophobicContact CG-CB 3.77Å; Y793-A838 HydrophobicContact CE2-CB 4.38Å
794K86.3Confident81.6Confident117 Ų11770.6 Ų70.651%0.50938%0.382SS..Hα-helixtrans-61.1-45172.6-76.7178.2174.5166.60112.2D790 R791 F792 K797 S798D790-K794 WeakPolarHBondContact O-CB 3.34Å; D790-K794 WeakPolarHBondContact O-CG 3.44Å; D790-K794 PolarHBondContact O-N 2.84Å; D790-K794 WeakPolarHBondContact OD1-CE 3.4Å; D790-K794 IonicContact OD1-NZ 2.76Å; D790-K794 WeakPolarHBondContact OD2-CD 3.43Å; D790-K794 WeakPolarHBondContact OD2-CE 3.29Å; D790-K794 IonicContact OD2-NZ 3.49Å; D790-K794 PolarHBondContact OD2-NZ 2.76Å; R791-K794 PolarHBondContact O-N 2.9Å; F792-K794 PolarHBondContact O-N 2.92Å; K794-K797 PolarHBondContact O-N 3.43Å; K794-S798 WeakPolarHBondContact O-CB 3.36Å; K794-S798 PolarHBondContact O-N 3Å
795I89.4Confident82.8Confident81 Ų8173.6 Ų73.642%0.41538%0.379SS..Hα-helixtrans-64.9-45.5175.5-68.8167.5000110.8R791 F792 K797 S798 K799R791-I795 HydrophobicContact CG-CD1 3.89Å; R791-I795 WeakPolarHBondContact O-CB 3.35Å; R791-I795 VanDerWaalsContact O-CG1 3.25Å; R791-I795 WeakPolarHBondContact O-CG1 3.34Å; R791-I795 PolarHBondContact O-N 2.92Å; F792-I795 PolarHBondContact O-N 2.99Å; I795-K797 VanDerWaalsContact C-N 3.34Å; I795-K797 PolarHBondContact O-N 3.5Å; I795-S798 PolarHBondContact O-N 3.37Å; I795-K799 WeakPolarHBondContact O-CG 3.46Å; I795-K799 PolarHBondContact O-N 2.72Å
796K92.6Very high84.2Confident18 Ų1874.1 Ų74.18%0.07836%0.364CS..Hα-helixtrans-59.6-45.3178.4-170.4169.8-178.61600111I778 E779 S781 F792 Y793 K799 I800 V831I778-K796 HydrophobicContact CG2-CG 4.01Å; I778-K796 WeakPolarHBondContact O-CE 3.24Å; I778-K796 PolarHBondContact O-NZ 2.96Å; E779-K796 PolarHBondContact O-NZ 3.09Å; S781-K796 PolarHBondContact O-NZ 3.49Å; S781-K796 WeakPolarHBondContact OG-CD 3.46Å; S781-K796 VanDerWaalsContact OG-CE 3.24Å; S781-K796 WeakPolarHBondContact OG-CE 3.1Å; S781-K796 PolarHBondContact OG-NZ 2.99Å; F792-K796 HydrophobicContact CE1-CD 3.9Å; F792-K796 HydrophobicContact CZ-CD 3.94Å; F792-K796 WeakPolarHBondContact O-CB 3.43Å; F792-K796 PolarHBondContact O-N 3.36Å; Y793-K796 PolarHBondContact O-N 2.97Å; K796-K799 PolarHBondContact O-N 3.35Å; K796-I800 HydrophobicContact CG-CD1 4.4Å; K796-I800 WeakPolarHBondContact O-CG1 3.42Å; K796-I800 PolarHBondContact O-N 2.87Å; K796-I800 VanDerWaalsContact O-N 3.09Å; K796-V831 HydrophobicContact CB-CG1 4.4Å; K796-V831 HydrophobicContact CD-CG2 3.91Å; K796-V831 HydrophobicContact CG-CG1 4.44Å; K796-V831 HydrophobicContact CG-CG2 4.14Å
797K92.4Very high85.9Confident80 Ų8064.7 Ų64.735%0.34832%0.32SS..Hα-helixtrans-59.3-46173.3175.6175.1167.9168.10112Y793 K794 I795 K799 I800 V801 V831 E832Y793-K797 VanDerWaalsContact O-CB 3.25Å; Y793-K797 WeakPolarHBondContact O-CB 3.36Å; Y793-K797 PolarHBondContact O-N 2.71Å; K794-K797 PolarHBondContact O-N 3.43Å; I795-K797 VanDerWaalsContact C-N 3.34Å; I795-K797 PolarHBondContact O-N 3.5Å; K797-K799 VanDerWaalsContact C-N 3.34Å; K797-K799 PolarHBondContact O-N 3.32Å; K797-I800 WeakPolarHBondContact O-CB 3.4Å; K797-I800 PolarHBondContact O-N 3.43Å; K797-I800 VanDerWaalsContact O-N 3.16Å; K797-V801 WeakPolarHBondContact O-CG2 3.43Å; K797-V801 PolarHBondContact O-N 3.32Å; K797-V831 HydrophobicContact CB-CG1 4.2Å; K797-E832 HydrophobicContact CD-CG 4.01Å; K797-E832 WeakPolarHBondContact CE-OE1 3.31Å; K797-E832 IonicContact NZ-OE1 3.88Å; K797-E832 PolarHBondContact NZ-OE1 3.17Å
798S92.7Very high87.4Confident81 Ų8162.6 Ų62.657%0.56631%0.31SS*.Hα-helixtrans-59.8-42.2177.3172.30000112.2K794 I795 I800 V801 A802K794-S798 WeakPolarHBondContact O-CB 3.36Å; K794-S798 PolarHBondContact O-N 3Å; I795-S798 PolarHBondContact O-N 3.37Å; S798-I800 VanDerWaalsContact C-N 3.33Å; S798-I800 PolarHBondContact O-N 3Å; S798-V801 PolarHBondContact O-N 2.82Å; S798-A802 PolarHBondContact O-N 2.96Å
799K94.5Very high88.4Confident120 Ų12065 Ų6552%0.52233%0.329SS..Hα-helixtrans-62-38.5174.4-70.6-178.6177.3-174.80112.8I778 I795 K796 K797 L803I778-K799 HydrophobicContact CD1-CB 4.02Å; I778-K799 HydrophobicContact CG1-CB 4.3Å; I795-K799 WeakPolarHBondContact O-CG 3.46Å; I795-K799 PolarHBondContact O-N 2.72Å; K796-K799 PolarHBondContact O-N 3.35Å; K797-K799 VanDerWaalsContact C-N 3.34Å; K797-K799 PolarHBondContact O-N 3.32Å; K799-L803 WeakPolarHBondContact O-CB 3.43Å; K799-L803 PolarHBondContact O-N 2.79Å
800I94.7Very high89.3Confident0 Ų060.8 Ų60.80%031%0.31CS..Hα-helixtrans-65.6-46.5176.5-65.7162.2000110.5I778 K796 K797 S798 L803 I804 L824 L827 K828 V831I778-I800 HydrophobicContact CD1-CG1 4.44Å; I778-I800 HydrophobicContact CG2-CD1 4.09Å; I778-I800 HydrophobicContact CG2-CG1 3.67Å; K796-I800 HydrophobicContact CG-CD1 4.4Å; K796-I800 WeakPolarHBondContact O-CG1 3.42Å; K796-I800 PolarHBondContact O-N 2.87Å; K796-I800 VanDerWaalsContact O-N 3.09Å; K797-I800 WeakPolarHBondContact O-CB 3.4Å; K797-I800 PolarHBondContact O-N 3.43Å; K797-I800 VanDerWaalsContact O-N 3.16Å; S798-I800 VanDerWaalsContact C-N 3.33Å; S798-I800 PolarHBondContact O-N 3Å; I800-L803 PolarHBondContact O-N 2.73Å; I800-I804 HydrophobicContact CG2-CD1 3.94Å; I800-I804 HydrophobicContact CG2-CG1 4.43Å; I800-I804 WeakPolarHBondContact O-CG1 3.34Å; I800-I804 PolarHBondContact O-N 3.4Å; I800-L824 HydrophobicContact CG2-CB 4.38Å; I800-L824 HydrophobicContact CG2-CD2 4.21Å; I800-L824 WeakPolarHBondContact CG2-O 3.25Å; I800-L827 HydrophobicContact CD1-CD2 4.04Å; I800-L827 HydrophobicContact CD1-CG 3.81Å; I800-L827 HydrophobicContact CG1-CD2 4.21Å; I800-L827 HydrophobicContact CG1-CG 4.48Å; I800-K828 HydrophobicContact CG2-CB 3.91Å; I800-V831 HydrophobicContact CD1-CB 4.32Å; I800-V831 HydrophobicContact CD1-CG2 3.83Å
801V94.1Very high89.7Confident48 Ų4863.9 Ų63.929%0.29132%0.323SS..Hα-helixtrans-60.9-47.2179.31730000111.1K797 S798 L803 I804 E805K797-V801 WeakPolarHBondContact O-CG2 3.43Å; K797-V801 PolarHBondContact O-N 3.32Å; S798-V801 PolarHBondContact O-N 2.82Å; V801-L803 VanDerWaalsContact C-N 3.31Å; V801-L803 PolarHBondContact O-N 3.1Å; V801-I804 WeakPolarHBondContact O-CB 3.08Å; V801-I804 PolarHBondContact O-N 3.06Å; V801-E805 PolarHBondContact O-N 2.85Å; V801-E805 VanDerWaalsContact O-N 3.15Å
802A92.9Very high90.2Very high37 Ų3755.1 Ų55.131%0.30629%0.29SS..Hα-helixtrans-59.2-42.4175.900000112S798 I804 E805 E806S798-A802 PolarHBondContact O-N 2.96Å; A802-I804 PolarHBondContact O-N 3.11Å; A802-E805 PolarHBondContact O-N 2.84Å; A802-E806 WeakPolarHBondContact O-CG 3.48Å; A802-E806 PolarHBondContact O-N 2.86Å
803L94.8Very high90.6Very high1 Ų153.4 Ų53.41%0.00528%0.282CS..Hα-helixtrans-67.1-34.5178.3-174.356.3000112.6F771 R774 L775 I778 K799 I800 V801 V807 L824F771-L803 HydrophobicContact CD1-CD1 3.65Å; F771-L803 HydrophobicContact CE1-CD1 4.25Å; F771-L803 HydrophobicContact CG-CD1 4.44Å; R774-L803 HydrophobicContact CB-CD1 4.38Å; R774-L803 HydrophobicContact CB-CD2 4.04Å; L775-L803 HydrophobicContact CB-CD2 4.38Å; I778-L803 HydrophobicContact CD1-CD2 3.78Å; K799-L803 WeakPolarHBondContact O-CB 3.43Å; K799-L803 PolarHBondContact O-N 2.79Å; I800-L803 PolarHBondContact O-N 2.73Å; V801-L803 VanDerWaalsContact C-N 3.31Å; V801-L803 PolarHBondContact O-N 3.1Å; L803-V807 HydrophobicContact CD1-CG2 4.06Å; L803-V807 HydrophobicContact CG-CG2 4.34Å; L803-V807 WeakPolarHBondContact O-CB 3.41Å; L803-V807 WeakPolarHBondContact O-CG2 3.46Å; L803-V807 PolarHBondContact O-N 3.13Å; L803-L824 HydrophobicContact CB-CD2 4.3Å; L803-L824 HydrophobicContact CD2-CD1 4.37Å; L803-L824 HydrophobicContact CD2-CD2 3.67Å; L803-L824 HydrophobicContact CG-CD1 3.94Å; L803-L824 HydrophobicContact CG-CD2 3.99Å
804I93.7Very high90.9Very high30 Ų3052.1 Ų52.115%0.15428%0.278CS..Hα-helixtrans-61.5-45.8173.5-70.9167.2000110.7I800 V801 A802 V807 S808 L824 Q825I800-I804 HydrophobicContact CG2-CD1 3.94Å; I800-I804 HydrophobicContact CG2-CG1 4.43Å; I800-I804 WeakPolarHBondContact O-CG1 3.34Å; I800-I804 PolarHBondContact O-N 3.4Å; V801-I804 WeakPolarHBondContact O-CB 3.08Å; V801-I804 PolarHBondContact O-N 3.06Å; A802-I804 PolarHBondContact O-N 3.11Å; I804-V807 PolarHBondContact O-N 3.31Å; I804-S808 VanDerWaalsContact O-CB 3.29Å; I804-S808 WeakPolarHBondContact O-CB 3.39Å; I804-S808 PolarHBondContact O-N 3.18Å; I804-S808 PolarHBondContact O-OG 3.31Å; I804-L824 HydrophobicContact CD1-CB 3.99Å; I804-L824 HydrophobicContact CG1-CB 3.5Å; I804-L824 HydrophobicContact CG1-CD1 3.96Å; I804-L824 HydrophobicContact CG1-CG 4.25Å; I804-Q825 HydrophobicContact CD1-CG 4.41Å
805E88.5Confident91.3Very high129 Ų12949 Ų4960%0.60326%0.263SS*.Hα-helixtrans-62.1-46.9179.2-70.8174.1-179.200111.3V801 A802 S808 S809V801-E805 PolarHBondContact O-N 2.85Å; V801-E805 VanDerWaalsContact O-N 3.15Å; A802-E805 PolarHBondContact O-N 2.84Å; E805-S808 PolarHBondContact O-N 2.99Å; E805-S809 PolarHBondContact O-N 3.07Å; E805-S809 PolarHBondContact O-OG 3.48Å
806E90.7Very high91.5Very high75 Ų7546.9 Ų46.935%0.3525%0.251SS..Hα-helixtrans-61.1-48.3177.4-70.7-179.1-122.500112.2F771 R774 A802 S808 S809 S810F771-E806 HydrophobicContact CE1-CB 4.07Å; F771-E806 HydrophobicContact CZ-CB 4.41Å; R774-E806 IonicContact CZ-OE1 3.51Å; R774-E806 IonicContact CZ-OE2 3.02Å; R774-E806 VanDerWaalsContact NH1-CD 3.3Å; R774-E806 IonicContact NH1-OE1 2.71Å; R774-E806 PolarHBondContact NH1-OE1 2.93Å; R774-E806 IonicContact NH1-OE2 3.92Å; R774-E806 PolarHBondContact NH1-OE2 2.61Å; R774-E806 IonicContact NH2-OE1 3.81Å; R774-E806 PolarHBondContact NH2-OE1 3Å; R774-E806 IonicContact NH2-OE2 3.58Å; A802-E806 WeakPolarHBondContact O-CG 3.48Å; A802-E806 PolarHBondContact O-N 2.86Å; E806-S808 PolarHBondContact O-N 2.76Å; E806-S809 PolarHBondContact O-N 3.24Å; E806-S809 PolarHBondContact O-OG 3.27Å; E806-S810 WeakPolarHBondContact O-CB 3.48Å; E806-S810 PolarHBondContact O-N 2.95Å
807V91.6Very high91.6Very high0 Ų049.1 Ų49.10%026%0.259CS..Hα-helixtrans-61.4-44.2178.61700000110.8F771 L803 I804 S809 S810 I812 R817 L820 L824F771-V807 HydrophobicContact CB-CG2 4.14Å; F771-V807 HydrophobicContact CD1-CG2 3.97Å; F771-V807 HydrophobicContact CD2-CG2 3.84Å; F771-V807 HydrophobicContact CE1-CG2 4.26Å; F771-V807 HydrophobicContact CE2-CG2 4.13Å; F771-V807 HydrophobicContact CG-CG2 3.74Å; F771-V807 HydrophobicContact CZ-CG2 4.34Å; L803-V807 HydrophobicContact CD1-CG2 4.06Å; L803-V807 HydrophobicContact CG-CG2 4.34Å; L803-V807 WeakPolarHBondContact O-CB 3.41Å; L803-V807 WeakPolarHBondContact O-CG2 3.46Å; L803-V807 PolarHBondContact O-N 3.13Å; I804-V807 PolarHBondContact O-N 3.31Å; V807-S809 VanDerWaalsContact C-N 3.32Å; V807-S809 PolarHBondContact O-N 3.32Å; V807-S810 WeakPolarHBondContact O-CB 3.46Å; V807-S810 PolarHBondContact O-N 2.78Å; V807-S810 VanDerWaalsContact O-N 3.11Å; V807-S810 PolarHBondContact O-OG 2.97Å; V807-I812 HydrophobicContact CG1-CD1 4.49Å; V807-R817 HydrophobicContact CG1-CG 3.91Å; V807-R817 WeakPolarHBondContact O-CD 3.48Å; V807-R817 WeakPolarHBondContact O-CG 3.32Å; V807-L820 HydrophobicContact CG1-CB 3.93Å; V807-L820 HydrophobicContact CG1-CD1 4.39Å; V807-L824 HydrophobicContact CG2-CD1 4.14Å
808S84.4Confident91.6Very high58 Ų5849.4 Ų49.441%0.40626%0.262SS..Hα-helixtrans-60.7-39.2-177.8-61.20000112.8I804 E805 E806 R817I804-S808 VanDerWaalsContact O-CB 3.29Å; I804-S808 WeakPolarHBondContact O-CB 3.39Å; I804-S808 PolarHBondContact O-N 3.18Å; I804-S808 PolarHBondContact O-OG 3.31Å; E805-S808 PolarHBondContact O-N 2.99Å; E806-S808 PolarHBondContact O-N 2.76Å; S808-R817 PolarHBondContact O-NH1 3.05Å
809S81.7Confident91.7Very high96 Ų9647.9 Ų47.967%0.67125%0.251SS*.Hα-helixtrans-83.2-6.7178.169.10000114.9E805 E806 V807E805-S809 PolarHBondContact O-N 3.07Å; E805-S809 PolarHBondContact O-OG 3.48Å; E806-S809 PolarHBondContact O-N 3.24Å; E806-S809 PolarHBondContact O-OG 3.27Å; V807-S809 VanDerWaalsContact C-N 3.32Å; V807-S809 PolarHBondContact O-N 3.32Å
810S84.9Confident91.7Very high10 Ų1042.5 Ų42.57%0.0723%0.228CC..SBendtrans-80.6144.9-171.672.90000112.9F771 E806 V807 I812F771-S810 WeakPolarHBondContact CE2-OG 3.46Å; E806-S810 WeakPolarHBondContact O-CB 3.48Å; E806-S810 PolarHBondContact O-N 2.95Å; V807-S810 WeakPolarHBondContact O-CB 3.46Å; V807-S810 PolarHBondContact O-N 2.78Å; V807-S810 VanDerWaalsContact O-N 3.11Å; V807-S810 PolarHBondContact O-OG 2.97Å; S810-I812 VanDerWaalsContact C-N 3.34Å; S810-I812 PolarHBondContact O-N 2.9Å; S810-I812 WeakPolarHBondContact OG-CG1 3.4Å
811Q85.1Confident91.6Very high110 Ų11043.3 Ų43.351%0.51423%0.233SC..  trans-86.877.1167.2-65179-41.500109.3I741 A764 R767I741-Q811 HydrophobicContact CD1-CG 4.46Å; I741-Q811 HydrophobicContact CG2-CB 4.44Å; A764-Q811 VanDerWaalsContact CB-O 3.23Å; A764-Q811 WeakPolarHBondContact CB-O 3.13Å; R767-Q811 PolarHBondContact NH1-O 2.94Å
812I93.2Very high91.6Very high0 Ų047 Ų470%025%0.247CC..SBendtrans-116.8177.7167.667.4-179.6000108.7A764 R767 C768 F771 V807 S810 C814 R817 L820A764-I812 WeakPolarHBondContact O-CG2 3.44Å; R767-I812 HydrophobicContact CB-CG2 4.03Å; R767-I812 HydrophobicContact CG-CG2 4.07Å; C768-I812 HydrophobicContact CB-CB 4.31Å; C768-I812 HydrophobicContact CB-CD1 4.42Å; C768-I812 HydrophobicContact CB-CG2 4.19Å; F771-I812 HydrophobicContact CD2-CD1 4.06Å; F771-I812 HydrophobicContact CD2-CG2 4.48Å; F771-I812 HydrophobicContact CE2-CD1 4.29Å; F771-I812 HydrophobicContact CE2-CG2 4.19Å; V807-I812 HydrophobicContact CG1-CD1 4.49Å; S810-I812 VanDerWaalsContact C-N 3.34Å; S810-I812 PolarHBondContact O-N 2.9Å; S810-I812 WeakPolarHBondContact OG-CG1 3.4Å; I812-C814 PolarHBondContact O-N 3.16Å; I812-R817 HydrophobicContact CD1-CB 4.01Å; I812-R817 HydrophobicContact CG1-CB 3.84Å; I812-R817 HydrophobicContact CG1-CG 4.48Å; I812-L820 HydrophobicContact CD1-CD1 3.98Å
813S95.7Very high91.7Very high0 Ų050 Ų500%025%0.251CS..  trans-57.2132.4175.6-176.30000110.6E656 I740 W815 E816 R817E656-S813 WeakPolarHBondContact OE1-CB 3.48Å; E656-S813 PolarHBondContact OE1-OG 2.78Å; E656-S813 PolarHBondContact OE2-OG 2.88Å; I740-S813 CarbonylContact O-C 3.45Å; I740-S813 VanDerWaalsContact O-CA 3.26Å; I740-S813 WeakPolarHBondContact O-CA 3.49Å; S813-W815 VanDerWaalsContact C-N 3.31Å; S813-W815 PolarHBondContact O-N 2.82Å; S813-W815 PolarHBondContact OG-NE1 2.84Å; S813-E816 WeakPolarHBondContact CB-OE2 3.27Å; S813-E816 PolarHBondContact O-N 3.36Å; S813-E816 VanDerWaalsContact O-N 3.16Å; S813-R817 PolarHBondContact O-N 2.98Å
814C94.1Very high91.8Very high3 Ų350 Ų502%0.0225%0.251CS..Hα-helixtrans-63.8-36.4-171.755.90000112.3I740 I812 R817 E818I740-C814 PolarHBondContact O-N 2.85Å; I740-C814 PolarHBondContact O-SG 3.1Å; I812-C814 PolarHBondContact O-N 3.16Å; C814-R817 WeakPolarHBondContact O-CB 3.38Å; C814-R817 PolarHBondContact O-N 3.11Å; C814-E818 WeakPolarHBondContact O-CG 2.84Å; C814-E818 PolarHBondContact O-N 3.26Å
815W94.7Very high91.8Very high52 Ų5253.6 Ų53.620%0.19727%0.267CS..Hα-helixtrans-68.7-36.1176.272.6-95.7000111.9N649 K653 E656 S813 S819N649-W815 HydrophobicContact CB-CB 3.96Å; K653-W815 HydrophobicContact CB-CD2 3.92Å; K653-W815 HydrophobicContact CB-CG 4Å; K653-W815 HydrophobicContact CD-CD2 4.22Å; K653-W815 HydrophobicContact CD-CE3 4.1Å; K653-W815 HydrophobicContact CD-CH2 3.99Å; K653-W815 HydrophobicContact CD-CZ2 4.09Å; K653-W815 HydrophobicContact CD-CZ3 3.99Å; K653-W815 HydrophobicContact CG-CD2 4.07Å; K653-W815 HydrophobicContact CG-CE3 4.46Å; K653-W815 HydrophobicContact CG-CH2 4.3Å; K653-W815 HydrophobicContact CG-CZ2 3.88Å; E656-W815 PolarHBondContact OE2-NE1 2.97Å; S813-W815 VanDerWaalsContact C-N 3.31Å; S813-W815 PolarHBondContact O-N 2.82Å; S813-W815 PolarHBondContact OG-NE1 2.84Å; W815-S819 WeakPolarHBondContact O-CB 3.37Å; W815-S819 PolarHBondContact O-N 3.12Å
816E95.3Very high92.1Very high36 Ų3650.3 Ų50.317%0.16826%0.262CS..Hα-helixtrans-66.7-40.5173.6-68.6-173.3113.300111.1C768 S813 S819 L820C768-E816 PolarHBondContact SG-OE1 3.42Å; C768-E816 PolarHBondContact SG-OE2 2.93Å; S813-E816 WeakPolarHBondContact CB-OE2 3.27Å; S813-E816 PolarHBondContact O-N 3.36Å; S813-E816 VanDerWaalsContact O-N 3.16Å; E816-S819 PolarHBondContact O-N 3.07Å; E816-L820 WeakPolarHBondContact O-CB 3.31Å; E816-L820 WeakPolarHBondContact O-CG 3.34Å; E816-L820 PolarHBondContact O-N 3.25Å
817R94Very high92.3Very high65 Ų6547.4 Ų47.425%0.24525%0.248CC..Hα-helixtrans-60-47.4176.4-174.8179.960.9174-6111.4V807 S808 I812 S813 C814 L820 C821V807-R817 HydrophobicContact CG1-CG 3.91Å; V807-R817 WeakPolarHBondContact O-CD 3.48Å; V807-R817 WeakPolarHBondContact O-CG 3.32Å; S808-R817 PolarHBondContact O-NH1 3.05Å; I812-R817 HydrophobicContact CD1-CB 4.01Å; I812-R817 HydrophobicContact CG1-CB 3.84Å; I812-R817 HydrophobicContact CG1-CG 4.48Å; S813-R817 PolarHBondContact O-N 2.98Å; C814-R817 WeakPolarHBondContact O-CB 3.38Å; C814-R817 PolarHBondContact O-N 3.11Å; R817-L820 PolarHBondContact O-N 3Å; R817-C821 WeakPolarHBondContact O-CB 3.49Å; R817-C821 PolarHBondContact O-N 2.96Å; R817-C821 PolarHBondContact O-SG 3.35Å
818E92.3Very high92.4Very high87 Ų8750.6 Ų50.641%0.40726%0.262SS..Hα-helixtrans-63.3-47.4177.3-72.3-173.4-16300111.3N649 C814 L820 C821 E822N649-E818 VanDerWaalsContact CG-OE2 3.3Å; N649-E818 PolarHBondContact ND2-OE2 3.21Å; N649-E818 PolarHBondContact OD1-OE2 3.38Å; N649-E818 VanDerWaalsContact OD1-OE2 3.1Å; C814-E818 WeakPolarHBondContact O-CG 2.84Å; C814-E818 PolarHBondContact O-N 3.26Å; E818-L820 PolarHBondContact O-N 3.04Å; E818-C821 PolarHBondContact O-N 3.21Å; E818-C821 VanDerWaalsContact O-N 3.16Å; E818-E822 WeakPolarHBondContact O-CG 3.41Å; E818-E822 PolarHBondContact O-N 3.43Å
819S94Very high92.8Very high49 Ų4954.8 Ų54.834%0.34327%0.273SS..Hα-helixtrans-59.3-42.9177.1-175.10000113.1W815 E816 E822 R823W815-S819 WeakPolarHBondContact O-CB 3.37Å; W815-S819 PolarHBondContact O-N 3.12Å; E816-S819 PolarHBondContact O-N 3.07Å; S819-E822 PolarHBondContact O-N 2.95Å; S819-R823 WeakPolarHBondContact O-CG 3.49Å; S819-R823 PolarHBondContact O-N 3.36Å
820L95.1Very high93.4Very high6 Ų656 Ų563%0.03127%0.268CS..Hα-helixtrans-64.5-42.6175.4-77.3171.9000111.7F771 L775 V807 I812 E816 R817 E818 R823 L824F771-L820 HydrophobicContact CB-CD1 4.1Å; L775-L820 HydrophobicContact CD2-CD2 3.97Å; V807-L820 HydrophobicContact CG1-CB 3.93Å; V807-L820 HydrophobicContact CG1-CD1 4.39Å; I812-L820 HydrophobicContact CD1-CD1 3.98Å; E816-L820 WeakPolarHBondContact O-CB 3.31Å; E816-L820 WeakPolarHBondContact O-CG 3.34Å; E816-L820 PolarHBondContact O-N 3.25Å; R817-L820 PolarHBondContact O-N 3Å; E818-L820 PolarHBondContact O-N 3.04Å; L820-R823 PolarHBondContact O-N 3.07Å; L820-L824 WeakPolarHBondContact O-CB 3.45Å; L820-L824 WeakPolarHBondContact O-CD1 3.32Å; L820-L824 VanDerWaalsContact O-CG 3.22Å; L820-L824 WeakPolarHBondContact O-CG 3.41Å; L820-L824 PolarHBondContact O-N 2.86Å
821C93.2Very high93.6Very high17 Ų1755.8 Ų55.812%0.11527%0.267CS..Hα-helixtrans-62-44.2177.2-72.30000111.7R817 E818 L824 Q825R817-C821 WeakPolarHBondContact O-CB 3.49Å; R817-C821 PolarHBondContact O-N 2.96Å; R817-C821 PolarHBondContact O-SG 3.35Å; E818-C821 PolarHBondContact O-N 3.21Å; E818-C821 VanDerWaalsContact O-N 3.16Å; C821-L824 PolarHBondContact O-N 2.94Å; C821-Q825 WeakPolarHBondContact O-CB 3.21Å; C821-Q825 VanDerWaalsContact O-CG 3.28Å; C821-Q825 WeakPolarHBondContact O-CG 3.44Å; C821-Q825 PolarHBondContact O-N 2.75Å
822E93.9Very high93.8Very high126 Ų12653.8 Ų53.859%0.58926%0.257SS*.Hα-helixtrans-60.1-47.4175.9-73.1-178.3168.800111.9E818 S819 L824 Q825 A826E818-E822 WeakPolarHBondContact O-CG 3.41Å; E818-E822 PolarHBondContact O-N 3.43Å; S819-E822 PolarHBondContact O-N 2.95Å; E822-L824 PolarHBondContact O-N 3.26Å; E822-Q825 PolarHBondContact O-N 3.4Å; E822-A826 WeakPolarHBondContact O-CB 3.33Å; E822-A826 PolarHBondContact O-N 3.18Å
823R95.1Very high93.6Very high99 Ų9956.7 Ų56.737%0.37428%0.282SS..Hα-helixtrans-60.9-43.5176.7-73.217763.9-161.8-4.3112.2L775 E779 S819 L820 A826 L827L775-R823 HydrophobicContact CD2-CB 4.3Å; L775-R823 VanDerWaalsContact CD2-CZ 3.43Å; E779-R823 IonicContact OE1-NH2 2.75Å; E779-R823 PolarHBondContact OE1-NH2 3.44Å; E779-R823 IonicContact OE2-NH2 3.6Å; S819-R823 WeakPolarHBondContact O-CG 3.49Å; S819-R823 PolarHBondContact O-N 3.36Å; L820-R823 PolarHBondContact O-N 3.07Å; R823-A826 PolarHBondContact O-N 3.12Å; R823-L827 WeakPolarHBondContact O-CB 3.45Å; R823-L827 PolarHBondContact O-N 3.35Å
824L95.7Very high93.2Very high1 Ų159.3 Ų59.31%0.00530%0.297CS..Hα-helixtrans-65.6-39.3177.6-74.3163.3000112L775 I800 L803 I804 V807 L820 C821 E822 L827 K828L775-L824 HydrophobicContact CD1-CD2 3.73Å; L775-L824 HydrophobicContact CD1-CG 4.36Å; I800-L824 HydrophobicContact CG2-CB 4.38Å; I800-L824 HydrophobicContact CG2-CD2 4.21Å; I800-L824 WeakPolarHBondContact CG2-O 3.25Å; L803-L824 HydrophobicContact CB-CD2 4.3Å; L803-L824 HydrophobicContact CD2-CD1 4.37Å; L803-L824 HydrophobicContact CD2-CD2 3.67Å; L803-L824 HydrophobicContact CG-CD1 3.94Å; L803-L824 HydrophobicContact CG-CD2 3.99Å; I804-L824 HydrophobicContact CD1-CB 3.99Å; I804-L824 HydrophobicContact CG1-CB 3.5Å; I804-L824 HydrophobicContact CG1-CD1 3.96Å; I804-L824 HydrophobicContact CG1-CG 4.25Å; V807-L824 HydrophobicContact CG2-CD1 4.14Å; L820-L824 WeakPolarHBondContact O-CB 3.45Å; L820-L824 WeakPolarHBondContact O-CD1 3.32Å; L820-L824 VanDerWaalsContact O-CG 3.22Å; L820-L824 WeakPolarHBondContact O-CG 3.41Å; L820-L824 PolarHBondContact O-N 2.86Å; C821-L824 PolarHBondContact O-N 2.94Å; E822-L824 PolarHBondContact O-N 3.26Å; L824-L827 PolarHBondContact O-N 3.14Å; L824-K828 WeakPolarHBondContact O-CB 3.41Å; L824-K828 PolarHBondContact O-N 3.34Å
825Q94.6Very high92.8Very high107 Ų10760.2 Ų60.250%0.530%0.302SS..Hα-helixtrans-65.8-40.5174.9-74.3-178.221.500112I804 C821 E822 K828 K829I804-Q825 HydrophobicContact CD1-CG 4.41Å; C821-Q825 WeakPolarHBondContact O-CB 3.21Å; C821-Q825 VanDerWaalsContact O-CG 3.28Å; C821-Q825 WeakPolarHBondContact O-CG 3.44Å; C821-Q825 PolarHBondContact O-N 2.75Å; E822-Q825 PolarHBondContact O-N 3.4Å; Q825-K828 WeakPolarHBondContact O-CB 3.23Å; Q825-K828 PolarHBondContact O-N 3.05Å; Q825-K829 WeakPolarHBondContact O-CG 3.31Å; Q825-K829 PolarHBondContact O-N 3.27Å; Q825-K829 VanDerWaalsContact O-N 3.13Å
826A95Very high92.2Very high59 Ų5963 Ų6349%0.48832%0.316SS..Hα-helixtrans-62.3-47.7174.200000111.3E822 R823 K828 K829 E830E822-A826 WeakPolarHBondContact O-CB 3.33Å; E822-A826 PolarHBondContact O-N 3.18Å; R823-A826 PolarHBondContact O-N 3.12Å; A826-K828 VanDerWaalsContact C-N 3.31Å; A826-K828 PolarHBondContact O-N 2.88Å; A826-K829 PolarHBondContact O-N 2.93Å; A826-E830 PolarHBondContact O-N 3.26Å
827L94.6Very high91.6Very high14 Ų1464.4 Ų64.47%0.07333%0.333CS..Hα-helixtrans-61.6-38.2176.9-176.462.8000112.1L775 I778 E779 I800 R823 L824 E830 V831L775-L827 HydrophobicContact CD1-CD2 3.75Å; I778-L827 HydrophobicContact CG2-CD2 3.86Å; E779-L827 HydrophobicContact CG-CD1 4.4Å; E779-L827 HydrophobicContact CG-CD2 3.9Å; I800-L827 HydrophobicContact CD1-CD2 4.04Å; I800-L827 HydrophobicContact CD1-CG 3.81Å; I800-L827 HydrophobicContact CG1-CD2 4.21Å; I800-L827 HydrophobicContact CG1-CG 4.48Å; R823-L827 WeakPolarHBondContact O-CB 3.45Å; R823-L827 PolarHBondContact O-N 3.35Å; L824-L827 PolarHBondContact O-N 3.14Å; L827-E830 PolarHBondContact O-N 2.73Å; L827-V831 HydrophobicContact CD1-CG2 4.38Å; L827-V831 HydrophobicContact CG-CG2 4.49Å; L827-V831 WeakPolarHBondContact O-CB 3.49Å; L827-V831 VanDerWaalsContact O-CG2 3.3Å; L827-V831 WeakPolarHBondContact O-CG2 3.17Å; L827-V831 PolarHBondContact O-N 3.27Å
828K94.5Very high90.9Very high67 Ų6761.9 Ų61.929%0.29133%0.326SS..Hα-helixtrans-58.1-49.4173.8-176.2-173.7169.8-167.80111.1I800 L824 Q825 A826 E830 V831 E832I800-K828 HydrophobicContact CG2-CB 3.91Å; L824-K828 WeakPolarHBondContact O-CB 3.41Å; L824-K828 PolarHBondContact O-N 3.34Å; Q825-K828 WeakPolarHBondContact O-CB 3.23Å; Q825-K828 PolarHBondContact O-N 3.05Å; A826-K828 VanDerWaalsContact C-N 3.31Å; A826-K828 PolarHBondContact O-N 2.88Å; K828-E830 VanDerWaalsContact C-N 3.33Å; K828-E830 PolarHBondContact O-N 2.94Å; K828-V831 PolarHBondContact O-N 2.69Å; K828-E832 WeakPolarHBondContact CE-OE1 3.1Å; K828-E832 WeakPolarHBondContact O-CG 3.37Å; K828-E832 PolarHBondContact O-N 2.7Å
829K93.2Very high90.2Very high146 Ų14660 Ų6064%0.63532%0.318SS*.Hα-helixtrans-61.7-41.3178.5-71.3178.3-177.6175.80111.6Q825 A826 E832 A833Q825-K829 WeakPolarHBondContact O-CG 3.31Å; Q825-K829 PolarHBondContact O-N 3.27Å; Q825-K829 VanDerWaalsContact O-N 3.13Å; A826-K829 PolarHBondContact O-N 2.93Å; K829-E832 PolarHBondContact O-N 3.36Å; K829-A833 WeakPolarHBondContact O-CB 2.91Å; K829-A833 PolarHBondContact O-N 3.2Å
830E92.6Very high89.4Confident122 Ų12260.2 Ų60.257%0.5732%0.322SS*.Hα-helixtrans-62.5-46.1176.3-172.1-168.3154.600112A826 L827 K828 E832 A833 T834A826-E830 PolarHBondContact O-N 3.26Å; L827-E830 PolarHBondContact O-N 2.73Å; K828-E830 VanDerWaalsContact C-N 3.33Å; K828-E830 PolarHBondContact O-N 2.94Å; E830-E832 VanDerWaalsContact C-N 3.35Å; E830-E832 PolarHBondContact O-N 3.24Å; E830-A833 PolarHBondContact O-N 3.19Å; E830-T834 WeakPolarHBondContact O-CB 3.43Å; E830-T834 PolarHBondContact O-N 3.1Å; E830-T834 PolarHBondContact O-OG1 3.41Å
831V90.8Very high88.6Confident6 Ų664.5 Ų64.54%0.03634%0.344CS..Hα-helixtrans-62.3-41.6177.6165.70000111.4Y793 K796 K797 I800 L827 K828 T834 N835Y793-V831 HydrophobicContact CD1-CG1 4.18Å; K796-V831 HydrophobicContact CB-CG1 4.4Å; K796-V831 HydrophobicContact CD-CG2 3.91Å; K796-V831 HydrophobicContact CG-CG1 4.44Å; K796-V831 HydrophobicContact CG-CG2 4.14Å; K797-V831 HydrophobicContact CB-CG1 4.2Å; I800-V831 HydrophobicContact CD1-CB 4.32Å; I800-V831 HydrophobicContact CD1-CG2 3.83Å; L827-V831 HydrophobicContact CD1-CG2 4.38Å; L827-V831 HydrophobicContact CG-CG2 4.49Å; L827-V831 WeakPolarHBondContact O-CB 3.49Å; L827-V831 VanDerWaalsContact O-CG2 3.3Å; L827-V831 WeakPolarHBondContact O-CG2 3.17Å; L827-V831 PolarHBondContact O-N 3.27Å; K828-V831 PolarHBondContact O-N 2.69Å; V831-T834 PolarHBondContact O-N 3.26Å; V831-N835 WeakPolarHBondContact O-CB 3.18Å; V831-N835 PolarHBondContact O-N 2.98Å
832E88.9Confident87.9Confident67 Ų6766.9 Ų66.931%0.31336%0.355SS..Hα-helixtrans-65.2-46.6176.5-73.5173158.800112K797 K828 K829 E830 T834 N835 K836K797-E832 HydrophobicContact CD-CG 4.01Å; K797-E832 WeakPolarHBondContact CE-OE1 3.31Å; K797-E832 IonicContact NZ-OE1 3.88Å; K797-E832 PolarHBondContact NZ-OE1 3.17Å; K828-E832 WeakPolarHBondContact CE-OE1 3.1Å; K828-E832 WeakPolarHBondContact O-CG 3.37Å; K828-E832 PolarHBondContact O-N 2.7Å; K829-E832 PolarHBondContact O-N 3.36Å; E830-E832 VanDerWaalsContact C-N 3.35Å; E830-E832 PolarHBondContact O-N 3.24Å; E832-T834 VanDerWaalsContact C-N 3.33Å; E832-T834 PolarHBondContact O-N 2.82Å; E832-N835 PolarHBondContact O-N 2.99Å; E832-K836 WeakPolarHBondContact O-CB 3.25Å; E832-K836 PolarHBondContact O-N 2.95Å
833A88.2Confident87Confident62 Ų6262 Ų6251%0.51234%0.337SS..Hα-helixtrans-62-41.4176.500000111.8K829 E830 K836 A837K829-A833 WeakPolarHBondContact O-CB 2.91Å; K829-A833 PolarHBondContact O-N 3.2Å; E830-A833 PolarHBondContact O-N 3.19Å; A833-K836 PolarHBondContact O-N 3.47Å; A833-A837 WeakPolarHBondContact O-CB 3.33Å; A833-A837 PolarHBondContact O-N 3.48Å
834T87.3Confident86.2Confident54 Ų5458.9 Ų58.933%0.33133%0.33SS..Hα-helixtrans-65.6-43.6177.4-53.60000111.2Y793 E830 V831 E832 K836 A837 A838Y793-T834 HydrophobicContact CE1-CG2 3.5Å; Y793-T834 WeakPolarHBondContact OH-CG2 3.39Å; E830-T834 WeakPolarHBondContact O-CB 3.43Å; E830-T834 PolarHBondContact O-N 3.1Å; E830-T834 PolarHBondContact O-OG1 3.41Å; V831-T834 PolarHBondContact O-N 3.26Å; E832-T834 VanDerWaalsContact C-N 3.33Å; E832-T834 PolarHBondContact O-N 2.82Å; T834-K836 PolarHBondContact O-N 2.98Å; T834-A837 PolarHBondContact O-N 3.4Å; T834-A838 VanDerWaalsContact O-CB 3.26Å; T834-A838 WeakPolarHBondContact O-CB 3.3Å; T834-A838 PolarHBondContact O-N 3.5Å
835N86.5Confident85.6Confident22 Ų2264.7 Ų64.712%0.11836%0.355CS..Hα-helixtrans-59.4-48.5176.7-166.735.4000111.1D790 Y793 V831 E832 A837 A838 Q839D790-N835 PolarHBondContact OD1-ND2 3.49Å; D790-N835 PolarHBondContact OD1-OD1 3Å; Y793-N835 VanDerWaalsContact CB-CG 3.48Å; Y793-N835 WeakPolarHBondContact CB-OD1 3.28Å; Y793-N835 HydrophobicContact CD1-CB 4.25Å; Y793-N835 HydrophobicContact CD2-CB 4.18Å; Y793-N835 WeakPolarHBondContact CD2-OD1 3.18Å; Y793-N835 HydrophobicContact CG-CB 3.77Å; V831-N835 WeakPolarHBondContact O-CB 3.18Å; V831-N835 PolarHBondContact O-N 2.98Å; E832-N835 PolarHBondContact O-N 2.99Å; N835-A837 PolarHBondContact O-N 3.11Å; N835-A838 PolarHBondContact O-N 3.38Å; N835-A838 VanDerWaalsContact O-N 3.16Å; N835-Q839 PolarHBondContact ND2-NE2 3.18Å; N835-Q839 WeakPolarHBondContact O-CG 3.41Å; N835-Q839 PolarHBondContact O-N 3.18Å
836K82.2Confident85Confident112 Ų11264.3 Ų64.349%0.48736%0.356SS..Hα-helixtrans-60.5-43.6179.3-177.5169.2175.1163.60112.1E832 A833 T834 A838 A840 N869E832-K836 WeakPolarHBondContact O-CB 3.25Å; E832-K836 PolarHBondContact O-N 2.95Å; A833-K836 PolarHBondContact O-N 3.47Å; T834-K836 PolarHBondContact O-N 2.98Å; K836-A838 VanDerWaalsContact C-N 3.32Å; K836-A838 PolarHBondContact O-N 2.83Å; K836-A840 WeakPolarHBondContact O-CB 3.43Å; K836-A840 PolarHBondContact O-N 3.46Å; K836-N869 WeakPolarHBondContact CE-OD1 3.36Å; K836-N869 PolarHBondContact NZ-OD1 3.25Å
837A82.1Confident84.4Confident64 Ų6461.9 Ų61.953%0.52934%0.335SS..Hα-helixtrans-63.3-39.717600000112.1A833 T834 N835 A840 L841A833-A837 WeakPolarHBondContact O-CB 3.33Å; A833-A837 PolarHBondContact O-N 3.48Å; T834-A837 PolarHBondContact O-N 3.4Å; N835-A837 PolarHBondContact O-N 3.11Å; A837-A840 PolarHBondContact O-N 2.78Å; A837-L841 PolarHBondContact O-N 3.09Å
838A79.3Confident83.8Confident12 Ų1263.6 Ų63.610%0.09934%0.344CS..Hα-helixtrans-73.7-36.8-177.800000112.4V788 Y793 T834 N835 K836 L841 L842V788-A838 HydrophobicContact CB-CB 4.22Å; V788-A838 HydrophobicContact CG1-CB 3.23Å; V788-A838 HydrophobicContact CG2-CB 3.98Å; Y793-A838 HydrophobicContact CE2-CB 4.38Å; T834-A838 VanDerWaalsContact O-CB 3.26Å; T834-A838 WeakPolarHBondContact O-CB 3.3Å; T834-A838 PolarHBondContact O-N 3.5Å; N835-A838 PolarHBondContact O-N 3.38Å; N835-A838 VanDerWaalsContact O-N 3.16Å; K836-A838 VanDerWaalsContact C-N 3.32Å; K836-A838 PolarHBondContact O-N 2.83Å; A838-L841 PolarHBondContact O-N 2.55Å; A838-L842 WeakPolarHBondContact O-CB 3.2Å; A838-L842 PolarHBondContact O-N 3.47Å
839Q77.7Confident83.4Confident49 Ų4963.4 Ų63.423%0.22935%0.351CS..Hα-helixtrans-61.7-45.7169.3-72.9175.1-17.900111.8D790 N835 L841 L842 A843D790-Q839 PolarHBondContact OD1-NE2 3.22Å; N835-Q839 PolarHBondContact ND2-NE2 3.18Å; N835-Q839 WeakPolarHBondContact O-CG 3.41Å; N835-Q839 PolarHBondContact O-N 3.18Å; Q839-L841 VanDerWaalsContact C-N 3.33Å; Q839-L841 PolarHBondContact O-N 3.33Å; Q839-L842 PolarHBondContact O-N 3.34Å; Q839-A843 PolarHBondContact O-N 3.38Å
840A76.3Confident82.9Confident52 Ų5258.3 Ų58.343%0.4334%0.336SS..Hα-helixtrans-61.4-40.6177.300000112.3K836 A837 A843 S844K836-A840 WeakPolarHBondContact O-CB 3.43Å; K836-A840 PolarHBondContact O-N 3.46Å; A837-A840 PolarHBondContact O-N 2.78Å; A840-A843 PolarHBondContact O-N 3.31Å; A840-S844 WeakPolarHBondContact O-CB 3.33Å; A840-S844 PolarHBondContact O-N 3.17Å
841L78.4Confident82.5Confident96 Ų9653.2 Ų53.250%0.50331%0.313SS..Hα-helixtrans-64.6-41.3175-176.866.1000112A837 A838 Q839 S844 K845A837-L841 PolarHBondContact O-N 3.09Å; A838-L841 PolarHBondContact O-N 2.55Å; Q839-L841 VanDerWaalsContact C-N 3.33Å; Q839-L841 PolarHBondContact O-N 3.33Å; L841-S844 PolarHBondContact O-N 3.4Å; L841-K845 WeakPolarHBondContact O-CG 3.27Å; L841-K845 PolarHBondContact O-N 3.03Å
842L77.9Confident82.1Confident67 Ų6759.5 Ų59.535%0.35134%0.34SS..Hα-helixtrans-63.3-46.6176.4-177.864.1000111.1A838 Q839 S844 K845 I846A838-L842 WeakPolarHBondContact O-CB 3.2Å; A838-L842 PolarHBondContact O-N 3.47Å; Q839-L842 PolarHBondContact O-N 3.34Å; L842-S844 VanDerWaalsContact C-N 3.33Å; L842-S844 PolarHBondContact O-N 2.94Å; L842-K845 PolarHBondContact O-N 3.15Å; L842-I846 HydrophobicContact CD1-CD1 4.22Å; L842-I846 HydrophobicContact CD1-CG1 4.42Å; L842-I846 HydrophobicContact CG-CD1 3.91Å; L842-I846 VanDerWaalsContact O-CG1 3.3Å; L842-I846 WeakPolarHBondContact O-CG1 3.35Å; L842-I846 PolarHBondContact O-N 3.37Å
843A76.4Confident81.9Confident25 Ų2564.6 Ų64.621%0.20736%0.361CS..Hα-helixtrans-57.5-45.217600000111.7Q839 A840 I846 L847 L873Q839-A843 PolarHBondContact O-N 3.38Å; A840-A843 PolarHBondContact O-N 3.31Å; A843-I846 PolarHBondContact O-N 3.09Å; A843-L847 WeakPolarHBondContact O-CG 3.44Å; A843-L847 PolarHBondContact O-N 3.01Å; A843-L873 HydrophobicContact CB-CD2 4.15Å
844S78.7Confident81.6Confident32 Ų3265 Ų6522%0.22435%0.354CS..Hα-helixtrans-61.9-44.2175.4-179.20000112.6A840 L841 L842 I846 L847 D848A840-S844 WeakPolarHBondContact O-CB 3.33Å; A840-S844 PolarHBondContact O-N 3.17Å; L841-S844 PolarHBondContact O-N 3.4Å; L842-S844 VanDerWaalsContact C-N 3.33Å; L842-S844 PolarHBondContact O-N 2.94Å; S844-I846 PolarHBondContact O-N 3.27Å; S844-L847 PolarHBondContact O-N 3.07Å; S844-D848 WeakPolarHBondContact O-CB 3.42Å; S844-D848 PolarHBondContact O-N 3.17Å
845K81.8Confident80.8Confident123 Ų12370.6 Ų70.654%0.53537%0.373SS..Hα-helixtrans-63.6-38.4176.1-77.8-176.2179.7-178.50113L841 L842 S849L841-K845 WeakPolarHBondContact O-CG 3.27Å; L841-K845 PolarHBondContact O-N 3.03Å; L842-K845 PolarHBondContact O-N 3.15Å; K845-S849 VanDerWaalsContact O-CB 3.31Å; K845-S849 WeakPolarHBondContact O-CB 3.32Å; K845-S849 PolarHBondContact O-N 3.38Å; K845-S849 PolarHBondContact O-OG 3.05Å
846I82.5Confident80.3Confident100 Ų10074.8 Ų74.851%0.51340%0.404SS..Hα-helixtrans-64.8-47.6177-70.3168000109.9L842 A843 S844 S849 A850L842-I846 HydrophobicContact CD1-CD1 4.22Å; L842-I846 HydrophobicContact CD1-CG1 4.42Å; L842-I846 HydrophobicContact CG-CD1 3.91Å; L842-I846 VanDerWaalsContact O-CG1 3.3Å; L842-I846 WeakPolarHBondContact O-CG1 3.35Å; L842-I846 PolarHBondContact O-N 3.37Å; A843-I846 PolarHBondContact O-N 3.09Å; S844-I846 PolarHBondContact O-N 3.27Å; I846-S849 PolarHBondContact O-N 3.01Å; I846-A850 WeakPolarHBondContact O-CB 3.48Å; I846-A850 PolarHBondContact O-N 3.15Å
847L82.7Confident80.1Confident8 Ų871 Ų714%0.04239%0.394CS..Hα-helixtrans-62.8-43.9177.8-71.2171.4000112.1A843 S844 S849 A850 L851 V862 L873 M875A843-L847 WeakPolarHBondContact O-CG 3.44Å; A843-L847 PolarHBondContact O-N 3.01Å; S844-L847 PolarHBondContact O-N 3.07Å; L847-S849 VanDerWaalsContact C-N 3.33Å; L847-S849 PolarHBondContact O-N 3.06Å; L847-A850 PolarHBondContact O-N 2.82Å; L847-L851 PolarHBondContact O-N 3.22Å; L847-V862 HydrophobicContact CB-CG2 3.83Å; L847-V862 HydrophobicContact CD2-CB 3.78Å; L847-V862 HydrophobicContact CD2-CG2 3.52Å; L847-V862 HydrophobicContact CG-CG2 4.22Å; L847-L873 HydrophobicContact CD1-CB 4.11Å; L847-L873 HydrophobicContact CD1-CD2 3.55Å; L847-L873 HydrophobicContact CD1-CG 3.55Å; L847-M875 HydrophobicContact CB-CB 4.42Å; L847-M875 HydrophobicContact CB-CG 4.06Å; L847-M875 HydrophobicContact CB-SD 3.53Å; L847-M875 VanDerWaalsContact CB-SD 3.53Å; L847-M875 HydrophobicContact CD1-CG 4.23Å; L847-M875 HydrophobicContact CD1-SD 4.45Å
848D82.6Confident80.2Confident49 Ų4973.1 Ų73.126%0.26239%0.391SS..Hα-helixtrans-61.4-40.7175-175.958.8000112S844 L851 K852 M875S844-D848 WeakPolarHBondContact O-CB 3.42Å; S844-D848 PolarHBondContact O-N 3.17Å; D848-L851 PolarHBondContact O-N 3.4Å; D848-K852 WeakPolarHBondContact O-CG 3.4Å; D848-K852 PolarHBondContact O-N 3.21Å; D848-K852 VanDerWaalsContact OD2-CE 3.23Å; D848-K852 WeakPolarHBondContact OD2-CE 3.44Å; D848-K852 IonicContact OD2-NZ 3.5Å; D848-K852 PolarHBondContact OD2-NZ 3.1Å; D848-M875 HydrophobicContact CB-CE 3.96Å; D848-M875 HydrophobicContact CB-SD 4.33Å
849S84.3Confident80.6Confident63 Ų6373.4 Ų73.444%0.44139%0.394SS..Hα-helixtrans-67.5-38.2176.3-60.60000112.4K845 I846 L847 K852 K853K845-S849 VanDerWaalsContact O-CB 3.31Å; K845-S849 WeakPolarHBondContact O-CB 3.32Å; K845-S849 PolarHBondContact O-N 3.38Å; K845-S849 PolarHBondContact O-OG 3.05Å; I846-S849 PolarHBondContact O-N 3.01Å; L847-S849 VanDerWaalsContact C-N 3.33Å; L847-S849 PolarHBondContact O-N 3.06Å; S849-K852 PolarHBondContact O-N 3.17Å; S849-K853 WeakPolarHBondContact O-CG 3.3Å; S849-K853 PolarHBondContact O-N 3.41Å
850A84.6Confident81.2Confident39 Ų3971.8 Ų71.832%0.32239%0.389SS..Hα-helixtrans-63.4-46.8173.700000110.7I846 L847 K852 K853 I854 V862I846-A850 WeakPolarHBondContact O-CB 3.48Å; I846-A850 PolarHBondContact O-N 3.15Å; L847-A850 PolarHBondContact O-N 2.82Å; A850-K852 PolarHBondContact O-N 2.76Å; A850-K853 WeakPolarHBondContact O-CB 3.35Å; A850-K853 PolarHBondContact O-N 2.67Å; A850-K853 VanDerWaalsContact O-N 3.13Å; A850-I854 WeakPolarHBondContact O-CG1 3.34Å; A850-I854 PolarHBondContact O-N 2.81Å; A850-V862 HydrophobicContact CB-CG1 4.38Å
851L83.6Confident81.9Confident16 Ų1670.6 Ų70.68%0.08438%0.375CS..Hα-helixtrans-57.6-44.8175.3-81.2164000112.7L847 D848 K853 I854 A860 V862 M875 C877L847-L851 PolarHBondContact O-N 3.22Å; D848-L851 PolarHBondContact O-N 3.4Å; L851-K853 PolarHBondContact O-N 3.33Å; L851-I854 PolarHBondContact O-N 3.33Å; L851-A860 HydrophobicContact CD2-CB 3.96Å; L851-V862 HydrophobicContact CD1-CG2 3.72Å; L851-V862 HydrophobicContact CD2-CG1 4.11Å; L851-V862 HydrophobicContact CD2-CG2 4.09Å; L851-V862 HydrophobicContact CG-CB 4.46Å; L851-V862 HydrophobicContact CG-CG1 4.08Å; L851-V862 HydrophobicContact CG-CG2 3.54Å; L851-M875 HydrophobicContact CD1-CB 3.37Å; L851-M875 HydrophobicContact CD1-CE 4.36Å; L851-C877 HydrophobicContact CD2-CB 3.87Å
852K81.9Confident82.6Confident138 Ų13867 Ų6760%0.636%0.357SS*.Hα-helixtrans-62.4-24.2178.7-77.3169.1176.8163.70113.8D848 S849 A850D848-K852 WeakPolarHBondContact O-CG 3.4Å; D848-K852 PolarHBondContact O-N 3.21Å; D848-K852 VanDerWaalsContact OD2-CE 3.23Å; D848-K852 WeakPolarHBondContact OD2-CE 3.44Å; D848-K852 IonicContact OD2-NZ 3.5Å; D848-K852 PolarHBondContact OD2-NZ 3.1Å; S849-K852 PolarHBondContact O-N 3.17Å; A850-K852 PolarHBondContact O-N 2.76Å
853K84Confident83.2Confident174 Ų17466.4 Ų66.476%0.75735%0.351SS*.Hα-helixtrans-78.2-24174.6-71.2176.6178.2-179.30112.3S849 A850 L851 K855S849-K853 WeakPolarHBondContact O-CG 3.3Å; S849-K853 PolarHBondContact O-N 3.41Å; A850-K853 WeakPolarHBondContact O-CB 3.35Å; A850-K853 PolarHBondContact O-N 2.67Å; A850-K853 VanDerWaalsContact O-N 3.13Å; L851-K853 PolarHBondContact O-N 3.33Å; K853-K855 VanDerWaalsContact C-N 3.31Å; K853-K855 PolarHBondContact O-N 3.28Å
854I83Confident83.8Confident71 Ų7167.2 Ų67.236%0.36436%0.356SS..  trans-83.970.3178.9-51.8167.2000110A850 L851 A857 A860 V862A850-I854 WeakPolarHBondContact O-CG1 3.34Å; A850-I854 PolarHBondContact O-N 2.81Å; L851-I854 PolarHBondContact O-N 3.33Å; I854-A857 HydrophobicContact CG2-CB 3.6Å; I854-A860 HydrophobicContact CB-CB 4.29Å; I854-A860 HydrophobicContact CD1-CB 4.04Å; I854-A860 HydrophobicContact CG2-CB 3.89Å; I854-V862 HydrophobicContact CD1-CG1 4Å
855K70.4Confident84.1Confident170 Ų17068.2 Ų68.274%0.73936%0.36SS*.  trans-79-27.8-177.2-65.9-174.1179.1-179.90114.4K853 K879K853-K855 VanDerWaalsContact C-N 3.31Å; K853-K855 PolarHBondContact O-N 3.28Å; K855-K879 WeakPolarHBondContact O-CE 3.5Å; K855-K879 PolarHBondContact O-NZ 3.34Å; K855-K879 VanDerWaalsContact O-NZ 3.16Å
856S75.1Confident84Confident110 Ų11064.9 Ų64.977%0.76935%0.348SS*.SBendtrans-78.7-32.6-172.951.50000113.1K879S856-K879 PolarHBondContact O-NZ 2.92Å; S856-K879 VanDerWaalsContact O-NZ 3.13Å
857A78.2Confident83.7Confident34 Ų3468.1 Ų68.128%0.28136%0.361SS..  trans-63.6149.7-174.900000112.8I854 A859 A860 K879I854-A857 HydrophobicContact CG2-CB 3.6Å; A857-A859 WeakPolarHBondContact CB-O 3.32Å; A857-A860 HydrophobicContact CB-CB 4.41Å; A857-K879 WeakPolarHBondContact O-CE 3.34Å; A857-K879 PolarHBondContact O-NZ 2.93Å
858K84.2Confident83.2Confident107 Ų10775 Ų7547%0.46539%0.393SS..SBendtrans-71-39.2172.5-64.4178175179.50110.9K879 Y882 I937K858-K879 WeakPolarHBondContact O-CB 3.48Å; K858-K879 PolarHBondContact O-N 2.92Å; K858-Y882 HydrophobicContact CB-CD2 4.29Å; K858-Y882 HydrophobicContact CB-CE1 4.44Å; K858-Y882 HydrophobicContact CB-CE2 3.7Å; K858-Y882 HydrophobicContact CD-CE1 3.97Å; K858-Y882 HydrophobicContact CD-CE2 4.33Å; K858-Y882 WeakPolarHBondContact CD-OH 3.4Å; K858-Y882 VanDerWaalsContact CE-OH 3.23Å; K858-Y882 WeakPolarHBondContact CE-OH 3.34Å; K858-Y882 HydrophobicContact CG-CE1 4.42Å; K858-Y882 HydrophobicContact CG-CE2 3.88Å; K858-Y882 VanDerWaalsContact CG-OH 3.32Å; K858-Y882 WeakPolarHBondContact CG-OH 3.37Å; K858-I937 HydrophobicContact CB-CD1 4.49Å
859A88Confident82.8Confident19 Ų1974.8 Ų74.816%0.15739%0.392CS..EExtended strand (participates in β ladder)trans-147.2150.1173.700000108.2A857 C877 V878 L888 W893 I937A857-A859 WeakPolarHBondContact CB-O 3.32Å; A859-C877 CarbonylContact C-O 3.54Å; A859-C877 VanDerWaalsContact CA-O 3.23Å; A859-C877 WeakPolarHBondContact CA-O 3.33Å; A859-V878 HydrophobicContact CB-CB 4.4Å; A859-V878 HydrophobicContact CB-CG1 4.32Å; A859-V878 HydrophobicContact CB-CG2 3.92Å; A859-L888 HydrophobicContact CB-CD2 3.56Å; A859-W893 HydrophobicContact CB-CH2 4.36Å; A859-W893 HydrophobicContact CB-CZ3 3.94Å; A859-I937 HydrophobicContact CB-CD1 4.09Å
860A90.1Very high82.7Confident15 Ų1575 Ų7512%0.12439%0.394CS..EExtended strand (participates in β ladder)trans-142.2142.4176.100000109.3L851 I854 A857 A876 C877L851-A860 HydrophobicContact CD2-CB 3.96Å; I854-A860 HydrophobicContact CB-CB 4.29Å; I854-A860 HydrophobicContact CD1-CB 4.04Å; I854-A860 HydrophobicContact CG2-CB 3.89Å; A857-A860 HydrophobicContact CB-CB 4.41Å; A860-A876 CarbonylContact O-C 3.55Å; A860-A876 WeakPolarHBondContact O-CA 3.47Å; A860-C877 PolarHBondContact N-O 3.09Å; A860-C877 PolarHBondContact O-N 2.84Å
861M92.2Very high82.8Confident26 Ų2676.1 Ų76.113%0.12839%0.391CS..EExtended strand (participates in β ladder)trans-129.8133.9168.8-174.4-178.7-77.900108.3F863 C874 M875 A876 W893 T894 L897 A929M861-F863 HydrophobicContact CB-CE2 4.4Å; M861-F863 HydrophobicContact CB-CZ 4.49Å; M861-F863 HydrophobicContact CG-CE1 4.26Å; M861-F863 HydrophobicContact CG-CE2 3.97Å; M861-F863 HydrophobicContact CG-CZ 3.75Å; M861-F863 HydrophobicContact SD-CE1 3.71Å; M861-F863 HydrophobicContact SD-CE2 4.09Å; M861-F863 HydrophobicContact SD-CZ 3.29Å; M861-F863 WeakPolarHBondContact SD-CZ 3.38Å; M861-C874 HydrophobicContact CG-CB 4.39Å; M861-C874 HydrophobicContact SD-CB 4.35Å; M861-M875 CarbonylContact C-O 3.45Å; M861-M875 VanDerWaalsContact CA-O 3.26Å; M861-M875 WeakPolarHBondContact CA-O 3.5Å; M861-A876 HydrophobicContact CB-CB 4.38Å; M861-A876 HydrophobicContact CE-CB 3.63Å; M861-A876 HydrophobicContact CG-CB 4.22Å; M861-W893 HydrophobicContact CB-CE3 4.47Å; M861-W893 HydrophobicContact CB-CH2 3.54Å; M861-W893 HydrophobicContact CB-CZ2 3.82Å; M861-W893 HydrophobicContact CB-CZ3 3.88Å; M861-W893 HydrophobicContact CE-CB 4.19Å; M861-W893 HydrophobicContact CE-CD2 3.38Å; M861-W893 HydrophobicContact CE-CE3 3.87Å; M861-W893 HydrophobicContact CE-CG 3.5Å; M861-W893 HydrophobicContact CE-CZ2 4.23Å; M861-W893 HydrophobicContact CE-CZ3 4.45Å; M861-T894 HydrophobicContact CE-CG2 4.07Å; M861-L897 HydrophobicContact CE-CD1 3.88Å; M861-L897 HydrophobicContact SD-CD1 3.5Å; M861-L897 WeakPolarHBondContact SD-CD1 3.49Å; M861-A929 HydrophobicContact SD-CB 3.91Å
862V91.6Very high83.2Confident21 Ų2175.3 Ų75.313%0.12739%0.387CS..EExtended strand (participates in β ladder)trans-117.4148.8178.1-65.80000109.3L847 A850 L851 I854 C874 M875L847-V862 HydrophobicContact CB-CG2 3.83Å; L847-V862 HydrophobicContact CD2-CB 3.78Å; L847-V862 HydrophobicContact CD2-CG2 3.52Å; L847-V862 HydrophobicContact CG-CG2 4.22Å; A850-V862 HydrophobicContact CB-CG1 4.38Å; L851-V862 HydrophobicContact CD1-CG2 3.72Å; L851-V862 HydrophobicContact CD2-CG1 4.11Å; L851-V862 HydrophobicContact CD2-CG2 4.09Å; L851-V862 HydrophobicContact CG-CB 4.46Å; L851-V862 HydrophobicContact CG-CG1 4.08Å; L851-V862 HydrophobicContact CG-CG2 3.54Å; I854-V862 HydrophobicContact CD1-CG1 4Å; V862-C874 CarbonylContact O-C 3.52Å; V862-C874 WeakPolarHBondContact O-CA 3.29Å; V862-M875 HydrophobicContact CG2-CB 4Å; V862-M875 PolarHBondContact N-O 2.91Å; V862-M875 PolarHBondContact O-N 3.09Å
863F91.6Very high83.5Confident55 Ų5570.1 Ų70.124%0.24137%0.365CS..EExtended strand (participates in β ladder)trans-125.8145.9-177.4-57.3-92.8000110.2M861 V872 L873 C874 L897 L922 I925 V926 A929M861-F863 HydrophobicContact CB-CE2 4.4Å; M861-F863 HydrophobicContact CB-CZ 4.49Å; M861-F863 HydrophobicContact CG-CE1 4.26Å; M861-F863 HydrophobicContact CG-CE2 3.97Å; M861-F863 HydrophobicContact CG-CZ 3.75Å; M861-F863 HydrophobicContact SD-CE1 3.71Å; M861-F863 HydrophobicContact SD-CE2 4.09Å; M861-F863 HydrophobicContact SD-CZ 3.29Å; M861-F863 WeakPolarHBondContact SD-CZ 3.38Å; F863-V872 HydrophobicContact CB-CG1 4.31Å; F863-V872 HydrophobicContact CD1-CG1 4.1Å; F863-L873 CarbonylContact C-O 3.57Å; F863-L873 WeakPolarHBondContact CA-O 3.31Å; F863-C874 HydrophobicContact CD1-CB 3.44Å; F863-C874 VanDerWaalsContact CD1-CB 3.44Å; F863-C874 HydrophobicContact CE1-CB 3.6Å; F863-C874 HydrophobicContact CG-CB 4.29Å; F863-L897 HydrophobicContact CE1-CD1 4.06Å; F863-L897 HydrophobicContact CZ-CD1 4.38Å; F863-L922 HydrophobicContact CB-CD1 4.27Å; F863-I925 HydrophobicContact CD1-CG2 4.1Å; F863-I925 HydrophobicContact CE1-CG2 3.58Å; F863-I925 HydrophobicContact CZ-CG2 4.35Å; F863-V926 HydrophobicContact CD2-CG2 3.94Å; F863-V926 HydrophobicContact CE2-CG2 3.88Å; F863-V926 HydrophobicContact CG-CG2 4.39Å; F863-V926 HydrophobicContact CZ-CG2 4.27Å; F863-A929 HydrophobicContact CZ-CB 3.87Å
864S88.2Confident83.9Confident42 Ų4261.8 Ų61.829%0.29433%0.329SS..EExtended strand (participates in β ladder)trans-132128.8167.3-173.60000108.1V872 L873S864-V872 WeakPolarHBondContact O-CA 3.21Å; S864-L873 PolarHBondContact N-O 3.18Å; S864-L873 PolarHBondContact O-N 3.26Å
865V86.3Confident84.3Confident52 Ų5259.4 Ų59.432%0.31532%0.317SS..EExtended strand (participates in β ladder)trans-89.5130.7173.7-176.60000108.6E867 V872 P919 L922V865-E867 HydrophobicContact CG1-CG 3.86Å; V865-V872 HydrophobicContact CG2-CG2 4.39Å; V865-P919 HydrophobicContact CG1-CB 3.88Å; V865-L922 HydrophobicContact CG2-CD1 3.96Å; V865-L922 HydrophobicContact CG2-CD2 3.7Å; V865-L922 HydrophobicContact CG2-CG 4.31Å
866D79.8Confident85.3Confident53 Ų5351.4 Ų51.428%0.28328%0.283SS..EExtended strand (participates in β ladder)trans-107.890.7167.4-178.8-14000107.1E868 N869 S870 K871D866-E868 VanDerWaalsContact C-N 3.26Å; D866-E868 PolarHBondContact O-N 2.86Å; D866-E868 PolarHBondContact OD1-N 3.1Å; D866-N869 PolarHBondContact OD1-N 3.38Å; D866-N869 PolarHBondContact OD1-ND2 2.59Å; D866-N869 WeakPolarHBondContact OD2-CB 3.36Å; D866-N869 PolarHBondContact OD2-ND2 3.12Å; D866-S870 WeakPolarHBondContact O-CA 3.21Å; D866-S870 PolarHBondContact O-N 3.08Å; D866-K871 PolarHBondContact N-O 3.3Å; D866-K871 PolarHBondContact O-N 3.23Å
867E75.9Confident86Confident168 Ų16848.3 Ų48.379%0.78526%0.26SS*.THydrogen-bonded Turntrans-62.5-35.6-179.3-66.7-175174.300111.4V865 N869 S870V865-E867 HydrophobicContact CG1-CG 3.86Å; E867-N869 PolarHBondContact O-N 2.84Å; E867-S870 PolarHBondContact O-N 3.25Å
868E71.2Confident86.5Confident154 Ų15446.8 Ų46.872%0.7225%0.248SC*.THydrogen-bonded Turntrans-67.6-38.7-175.6-165.2173.6-175.600111.6D866D866-E868 VanDerWaalsContact C-N 3.26Å; D866-E868 PolarHBondContact O-N 2.86Å; D866-E868 PolarHBondContact OD1-N 3.1Å
869N74.3Confident86.6Confident44 Ų4445.9 Ų45.924%0.23524%0.243CC..THydrogen-bonded Turntrans-96.31.4176.5-64.4-63.9000114.1K836 D866 E867 K871K836-N869 WeakPolarHBondContact CE-OD1 3.36Å; K836-N869 PolarHBondContact NZ-OD1 3.25Å; D866-N869 PolarHBondContact OD1-N 3.38Å; D866-N869 PolarHBondContact OD1-ND2 2.59Å; D866-N869 WeakPolarHBondContact OD2-CB 3.36Å; D866-N869 PolarHBondContact OD2-ND2 3.12Å; E867-N869 PolarHBondContact O-N 2.84Å; N869-K871 HydrophobicContact CB-CG 4.29Å; N869-K871 PolarHBondContact O-N 2.9Å
870S82.8Confident86.5Confident68 Ų6851.4 Ų51.448%0.47626%0.264SS..THydrogen-bonded Turntrans52.150.4-174-61.40000113D866 E867 P919D866-S870 WeakPolarHBondContact O-CA 3.21Å; D866-S870 PolarHBondContact O-N 3.08Å; E867-S870 PolarHBondContact O-N 3.25Å; S870-P919 WeakPolarHBondContact O-CD 3.43Å
871K87.5Confident86.3Confident61 Ų6155.8 Ų55.827%0.26528%0.282SS..EExtended strand (participates in β ladder)trans-130.5157.9179.9-60.5-61.8174.1-167.20112D866 N869 L915 L916 D917D866-K871 PolarHBondContact N-O 3.3Å; D866-K871 PolarHBondContact O-N 3.23Å; N869-K871 HydrophobicContact CB-CG 4.29Å; N869-K871 PolarHBondContact O-N 2.9Å; K871-L915 HydrophobicContact CB-CD1 3.77Å; K871-L915 HydrophobicContact CB-CG 4.19Å; K871-L915 HydrophobicContact CD-CD2 4.44Å; K871-L915 HydrophobicContact CD-CG 4.34Å; K871-L915 HydrophobicContact CG-CD1 4.28Å; K871-L915 HydrophobicContact CG-CD2 4.33Å; K871-L915 HydrophobicContact CG-CG 4.28Å; K871-L916 VanDerWaalsContact CA-O 3.3Å; K871-L916 WeakPolarHBondContact CA-O 3.16Å; K871-L916 WeakPolarHBondContact CD-O 3.41Å; K871-D917 IonicContact NZ-OD1 3.04Å; K871-D917 PolarHBondContact NZ-OD1 3.2Å
872V90.3Very high85.9Confident0 Ų056 Ų560%028%0.281CS..EExtended strand (participates in β ladder)trans-120.1118.2167.2-1750000109.1F863 S864 V865 L915 L916 P919 L922 I925F863-V872 HydrophobicContact CB-CG1 4.31Å; F863-V872 HydrophobicContact CD1-CG1 4.1Å; S864-V872 WeakPolarHBondContact O-CA 3.21Å; V865-V872 HydrophobicContact CG2-CG2 4.39Å; V872-L915 CarbonylContact O-C 3.58Å; V872-L915 WeakPolarHBondContact O-CA 3.26Å; V872-L916 HydrophobicContact CB-CB 4.24Å; V872-L916 PolarHBondContact N-O 2.91Å; V872-L916 PolarHBondContact O-N 3.14Å; V872-P919 VanDerWaalsContact CG2-CA 3.49Å; V872-P919 HydrophobicContact CG2-CB 3.91Å; V872-L922 HydrophobicContact CG1-CD1 4Å; V872-I925 HydrophobicContact CG2-CD1 4.15Å
873L89.7Confident85.6Confident28 Ų2855.5 Ų55.515%0.14728%0.28CS..EExtended strand (participates in β ladder)trans-88.7123.8171.4179.664.3000108.5A843 L847 F863 S864 A914 L915A843-L873 HydrophobicContact CB-CD2 4.15Å; L847-L873 HydrophobicContact CD1-CB 4.11Å; L847-L873 HydrophobicContact CD1-CD2 3.55Å; L847-L873 HydrophobicContact CD1-CG 3.55Å; F863-L873 CarbonylContact C-O 3.57Å; F863-L873 WeakPolarHBondContact CA-O 3.31Å; S864-L873 PolarHBondContact N-O 3.18Å; S864-L873 PolarHBondContact O-N 3.26Å; L873-A914 WeakPolarHBondContact CA-O 3.21Å; L873-L915 HydrophobicContact CB-CD1 4.2Å; L873-L915 HydrophobicContact CD1-CD1 4.35Å
874C91.1Very high85.1Confident0 Ų059.1 Ų59.10%030%0.297CS..EExtended strand (participates in β ladder)trans-120.3145.3172.673.10000111.7M861 V862 F863 Q913 A914M861-C874 HydrophobicContact CG-CB 4.39Å; M861-C874 HydrophobicContact SD-CB 4.35Å; V862-C874 CarbonylContact O-C 3.52Å; V862-C874 WeakPolarHBondContact O-CA 3.29Å; F863-C874 HydrophobicContact CD1-CB 3.44Å; F863-C874 VanDerWaalsContact CD1-CB 3.44Å; F863-C874 HydrophobicContact CE1-CB 3.6Å; F863-C874 HydrophobicContact CG-CB 4.29Å; C874-Q913 CarbonylContact O-C 3.49Å; C874-Q913 WeakPolarHBondContact O-CA 3.45Å; C874-A914 PolarHBondContact N-O 3.5Å; C874-A914 PolarHBondContact O-N 3.38Å; C874-A914 WeakPolarHBondContact SG-CB 3.45Å
875M91.7Very high84.7Confident21 Ų2162.8 Ų62.810%0.10331%0.314CS..EExtended strand (participates in β ladder)trans-129.9131173-64.9-174.867.500109.7L847 D848 L851 M861 V862 S912 Q913L847-M875 HydrophobicContact CB-CB 4.42Å; L847-M875 HydrophobicContact CB-CG 4.06Å; L847-M875 HydrophobicContact CB-SD 3.53Å; L847-M875 VanDerWaalsContact CB-SD 3.53Å; L847-M875 HydrophobicContact CD1-CG 4.23Å; L847-M875 HydrophobicContact CD1-SD 4.45Å; D848-M875 HydrophobicContact CB-CE 3.96Å; D848-M875 HydrophobicContact CB-SD 4.33Å; L851-M875 HydrophobicContact CD1-CB 3.37Å; L851-M875 HydrophobicContact CD1-CE 4.36Å; M861-M875 CarbonylContact C-O 3.45Å; M861-M875 VanDerWaalsContact CA-O 3.26Å; M861-M875 WeakPolarHBondContact CA-O 3.5Å; V862-M875 HydrophobicContact CG2-CB 4Å; V862-M875 PolarHBondContact N-O 2.91Å; V862-M875 PolarHBondContact O-N 3.09Å; M875-S912 CarbonylContact C-O 3.49Å; M875-Q913 HydrophobicContact CG-CB 3.91Å
876A91.4Very high84.3Confident2 Ų263.1 Ų63.12%0.01733%0.328CS..EExtended strand (participates in β ladder)trans-115.7138.9-178.400000111.2A860 M861 A890 W893 T894 N911 S912A860-A876 CarbonylContact O-C 3.55Å; A860-A876 WeakPolarHBondContact O-CA 3.47Å; M861-A876 HydrophobicContact CB-CB 4.38Å; M861-A876 HydrophobicContact CE-CB 3.63Å; M861-A876 HydrophobicContact CG-CB 4.22Å; A876-A890 HydrophobicContact CB-CB 4.26Å; A876-W893 HydrophobicContact CB-CE3 3.84Å; A876-W893 HydrophobicContact CB-CZ3 4.25Å; A876-T894 HydrophobicContact CB-CG2 3.92Å; A876-N911 WeakPolarHBondContact O-CA 3.34Å; A876-S912 PolarHBondContact N-O 3.37Å; A876-S912 PolarHBondContact O-N 3.46Å
877C90.2Very high84.4Confident44 Ų4464.9 Ų64.930%0.29733%0.334SS..EExtended strand (participates in β ladder)trans-132.1130.9173.4-177.80000109.3L851 A859 A860 V910 N911L851-C877 HydrophobicContact CD2-CB 3.87Å; A859-C877 CarbonylContact C-O 3.54Å; A859-C877 VanDerWaalsContact CA-O 3.23Å; A859-C877 WeakPolarHBondContact CA-O 3.33Å; A860-C877 PolarHBondContact N-O 3.09Å; A860-C877 PolarHBondContact O-N 2.84Å; C877-V910 CarbonylContact C-O 3.58Å; C877-V910 WeakPolarHBondContact CA-O 3.28Å; C877-N911 PolarHBondContact SG-OD1 3.12Å; C877-N911 VanDerWaalsContact SG-OD1 3.4Å
878V88.8Confident85Confident3 Ų357 Ų572%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-127.2130.9178.3-177.90000108.5A859 K880 L888 A890 W893 V910A859-V878 HydrophobicContact CB-CB 4.4Å; A859-V878 HydrophobicContact CB-CG1 4.32Å; A859-V878 HydrophobicContact CB-CG2 3.92Å; V878-K880 PolarHBondContact O-N 3.46Å; V878-L888 HydrophobicContact CG1-CB 4.35Å; V878-L888 HydrophobicContact CG1-CG 4.5Å; V878-L888 WeakPolarHBondContact CG1-O 3.44Å; V878-L888 HydrophobicContact CG2-CD2 4.01Å; V878-L888 HydrophobicContact CG2-CG 4.06Å; V878-A890 HydrophobicContact CB-CB 4.46Å; V878-A890 HydrophobicContact CG2-CB 3.87Å; V878-W893 HydrophobicContact CG2-CE3 4.2Å; V878-W893 HydrophobicContact CG2-CZ3 4.42Å; V878-V910 PolarHBondContact N-O 2.86Å
879K86Confident85.8Confident87 Ų8751 Ų5138%0.37827%0.27SS..  trans-59135177-79.6179177.61620110K855 S856 A857 K858 Q881 Y882 A883K855-K879 WeakPolarHBondContact O-CE 3.5Å; K855-K879 PolarHBondContact O-NZ 3.34Å; K855-K879 VanDerWaalsContact O-NZ 3.16Å; S856-K879 PolarHBondContact O-NZ 2.92Å; S856-K879 VanDerWaalsContact O-NZ 3.13Å; A857-K879 WeakPolarHBondContact O-CE 3.34Å; A857-K879 PolarHBondContact O-NZ 2.93Å; K858-K879 WeakPolarHBondContact O-CB 3.48Å; K858-K879 PolarHBondContact O-N 2.92Å; K879-Q881 PolarHBondContact O-N 3.41Å; K879-Y882 HydrophobicContact CB-CD2 3.79Å; K879-Y882 HydrophobicContact CB-CE2 4.12Å; K879-Y882 PolarHBondContact O-N 2.94Å; K879-A883 PolarHBondContact O-N 3.45Å
880K86.4Confident86.7Confident135 Ų13548.9 Ų48.959%0.58726%0.259SS*.Hα-helixtrans-44.3-44-174.2-172.5175.4171.6-178.80114.3V878 Y882 A883 E884 V910V878-K880 PolarHBondContact O-N 3.46Å; K880-Y882 VanDerWaalsContact C-N 3.28Å; K880-Y882 PolarHBondContact O-N 3.5Å; K880-A883 PolarHBondContact O-N 3.07Å; K880-E884 WeakPolarHBondContact CE-OE1 3.34Å; K880-E884 WeakPolarHBondContact CE-OE2 3.25Å; K880-E884 HydrophobicContact CG-CG 4.14Å; K880-E884 IonicContact NZ-OE1 3.7Å; K880-E884 WeakPolarHBondContact O-CG 3.43Å; K880-E884 PolarHBondContact O-N 2.95Å; K880-V910 HydrophobicContact CB-CG1 4.29Å; K880-V910 HydrophobicContact CG-CG1 4.46Å
881Q85.3Confident87.2Confident107 Ų10750.3 Ų50.350%0.526%0.257SS..Hα-helixtrans-57.4-33.5178.171.1-174.535.700114.5K879 N885K879-Q881 PolarHBondContact O-N 3.41Å; Q881-N885 VanDerWaalsContact O-CB 3.27Å; Q881-N885 WeakPolarHBondContact O-CB 3.39Å; Q881-N885 PolarHBondContact O-N 2.72Å; Q881-N885 PolarHBondContact O-ND2 3.36Å
882Y84.8Confident87.4Confident30 Ų3051.5 Ų51.512%0.11827%0.266CS..Hα-helixtrans-82.4-32.2-180-62.7-85.4000111.9K858 K879 K880 Q887 L888 I937K858-Y882 HydrophobicContact CB-CD2 4.29Å; K858-Y882 HydrophobicContact CB-CE1 4.44Å; K858-Y882 HydrophobicContact CB-CE2 3.7Å; K858-Y882 HydrophobicContact CD-CE1 3.97Å; K858-Y882 HydrophobicContact CD-CE2 4.33Å; K858-Y882 WeakPolarHBondContact CD-OH 3.4Å; K858-Y882 VanDerWaalsContact CE-OH 3.23Å; K858-Y882 WeakPolarHBondContact CE-OH 3.34Å; K858-Y882 HydrophobicContact CG-CE1 4.42Å; K858-Y882 HydrophobicContact CG-CE2 3.88Å; K858-Y882 VanDerWaalsContact CG-OH 3.32Å; K858-Y882 WeakPolarHBondContact CG-OH 3.37Å; K879-Y882 HydrophobicContact CB-CD2 3.79Å; K879-Y882 HydrophobicContact CB-CE2 4.12Å; K879-Y882 PolarHBondContact O-N 2.94Å; K880-Y882 VanDerWaalsContact C-N 3.28Å; K880-Y882 PolarHBondContact O-N 3.5Å; Y882-Q887 HydrophobicContact CD1-CB 4.44Å; Y882-Q887 PolarHBondContact O-N 3.35Å; Y882-L888 CarbonylContact C-O 3.57Å; Y882-L888 PolarHBondContact O-N 3.36Å; Y882-I937 HydrophobicContact CD1-CG2 3.98Å
883A83.9Confident87.5Confident12 Ų1252.1 Ų52.110%0.09927%0.268CS..Hα-helixtrans-69.9-45.9174.800000111K879 K880 G886 L888 D909 V910K879-A883 PolarHBondContact O-N 3.45Å; K880-A883 PolarHBondContact O-N 3.07Å; A883-G886 PolarHBondContact O-N 3.22Å; A883-L888 WeakPolarHBondContact CA-O 3.26Å; A883-D909 HydrophobicContact CB-CB 4.23Å; A883-V910 HydrophobicContact CB-CG1 3.91Å
884E81.7Confident87.8Confident130 Ų13050.8 Ų50.861%0.60726%0.261SS*.Hα-helixtrans-68.6-34.4-179.9-71.4-179.1151.800113K880 G886K880-E884 WeakPolarHBondContact CE-OE1 3.34Å; K880-E884 WeakPolarHBondContact CE-OE2 3.25Å; K880-E884 HydrophobicContact CG-CG 4.14Å; K880-E884 IonicContact NZ-OE1 3.7Å; K880-E884 WeakPolarHBondContact O-CG 3.43Å; K880-E884 PolarHBondContact O-N 2.95Å; E884-G886 PolarHBondContact O-N 3.05Å
885N80.5Confident87.9Confident120 Ų12052.7 Ų52.764%0.64228%0.275SS*.THydrogen-bonded Turntrans-79.92.6176.5-66.7-9.2000113.3Q881 Q887Q881-N885 VanDerWaalsContact O-CB 3.27Å; Q881-N885 WeakPolarHBondContact O-CB 3.39Å; Q881-N885 PolarHBondContact O-N 2.72Å; Q881-N885 PolarHBondContact O-ND2 3.36Å; N885-Q887 HydrophobicContact CB-CG 4.26Å; N885-Q887 PolarHBondContact O-N 3.21Å
886G77.3Confident88Confident59 Ų5955.2 Ų55.261%0.60828%0.284SS*.THydrogen-bonded Turntrans67.314.5-17900000114.8A883 E884A883-G886 PolarHBondContact O-N 3.22Å; E884-G886 PolarHBondContact O-N 3.05Å
887Q81.6Confident88.1Confident89 Ų8955.1 Ų55.142%0.41628%0.283SS..SBendtrans-72.9-55.4-179.5-70-176.2-43.400110.4Y882 N885 K936 I937Y882-Q887 HydrophobicContact CD1-CB 4.44Å; Y882-Q887 PolarHBondContact O-N 3.35Å; N885-Q887 HydrophobicContact CB-CG 4.26Å; N885-Q887 PolarHBondContact O-N 3.21Å; Q887-K936 WeakPolarHBondContact O-CB 3.37Å; Q887-K936 VanDerWaalsContact O-CD 3.31Å; Q887-K936 WeakPolarHBondContact O-CD 3.48Å; Q887-K936 WeakPolarHBondContact O-CG 3.37Å; Q887-I937 HydrophobicContact CB-CG2 4.18Å
888L88Confident88.3Confident2 Ų253.9 Ų53.91%0.0128%0.275CS..  trans-140.6129.8174.9-178.866.2000109.4A859 V878 Y882 A883 W893 F932 A933 K936 I937A859-L888 HydrophobicContact CB-CD2 3.56Å; V878-L888 HydrophobicContact CG1-CB 4.35Å; V878-L888 HydrophobicContact CG1-CG 4.5Å; V878-L888 WeakPolarHBondContact CG1-O 3.44Å; V878-L888 HydrophobicContact CG2-CD2 4.01Å; V878-L888 HydrophobicContact CG2-CG 4.06Å; Y882-L888 CarbonylContact C-O 3.57Å; Y882-L888 PolarHBondContact O-N 3.36Å; A883-L888 WeakPolarHBondContact CA-O 3.26Å; L888-W893 HydrophobicContact CD1-CB 4.46Å; L888-W893 HydrophobicContact CD1-CG 4.43Å; L888-W893 HydrophobicContact CD2-CE3 4.17Å; L888-W893 HydrophobicContact CD2-CZ3 4.33Å; L888-F932 HydrophobicContact CD1-CD1 3.89Å; L888-F932 HydrophobicContact CD1-CE1 3.72Å; L888-A933 HydrophobicContact CD2-CB 4.38Å; L888-K936 HydrophobicContact CB-CB 4.22Å; L888-K936 HydrophobicContact CD1-CB 3.93Å; L888-K936 HydrophobicContact CD1-CG 4.06Å; L888-I937 HydrophobicContact CB-CG2 3.83Å; L888-I937 HydrophobicContact CD2-CD1 3.86Å; L888-I937 HydrophobicContact CD2-CG1 4.27Å
889N89.5Confident88.5Confident28 Ų2858.2 Ų58.215%0.1531%0.305CS..  trans-113127.3178.2-179.6-39.6000108.8K891 D892 W893 D909N889-K891 VanDerWaalsContact C-N 3.28Å; N889-K891 PolarHBondContact O-N 3.04Å; N889-K891 WeakPolarHBondContact OD1-CA 3.49Å; N889-K891 WeakPolarHBondContact OD1-CB 3.39Å; N889-K891 PolarHBondContact OD1-N 3.08Å; N889-D892 HydrophobicContact CB-CB 4.03Å; N889-D892 WeakPolarHBondContact CB-OD2 3.43Å; N889-D892 PolarHBondContact O-N 3.3Å; N889-D892 PolarHBondContact OD1-N 2.86Å; N889-W893 WeakPolarHBondContact O-CB 3.21Å; N889-W893 PolarHBondContact O-N 2.95Å; N889-D909 WeakPolarHBondContact ND2-CB 3.35Å; N889-D909 PolarHBondContact ND2-OD1 3.38Å; N889-D909 WeakPolarHBondContact OD1-CA 3.47Å
890A92.4Very high88.7Confident0 Ų058.3 Ų58.30%031%0.308CS..Hα-helixtrans-61.7-35.9-178.800000112.5A876 V878 W893 T894 D909 V910 S912A876-A890 HydrophobicContact CB-CB 4.26Å; V878-A890 HydrophobicContact CB-CB 4.46Å; V878-A890 HydrophobicContact CG2-CB 3.87Å; A890-W893 PolarHBondContact O-N 3.15Å; A890-T894 PolarHBondContact O-N 2.93Å; A890-T894 VanDerWaalsContact O-N 3.09Å; A890-T894 PolarHBondContact O-OG1 3.42Å; A890-D909 WeakPolarHBondContact CB-O 3.37Å; A890-D909 PolarHBondContact N-O 2.97Å; A890-V910 WeakPolarHBondContact CB-O 3.44Å; A890-S912 WeakPolarHBondContact O-CB 3.37Å
891K92.6Very high89.1Confident98 Ų9852 Ų5243%0.42628%0.281SS..Hα-helixtrans-69.5-41.2177.7-174.9-173.5174.8-171.90111.7N889 W893 T894 S895N889-K891 VanDerWaalsContact C-N 3.28Å; N889-K891 PolarHBondContact O-N 3.04Å; N889-K891 WeakPolarHBondContact OD1-CA 3.49Å; N889-K891 WeakPolarHBondContact OD1-CB 3.39Å; N889-K891 PolarHBondContact OD1-N 3.08Å; K891-W893 VanDerWaalsContact C-N 3.29Å; K891-T894 PolarHBondContact O-OG1 3.32Å; K891-T894 VanDerWaalsContact O-OG1 3.05Å; K891-S895 VanDerWaalsContact O-CB 3.23Å; K891-S895 WeakPolarHBondContact O-CB 3.48Å; K891-S895 PolarHBondContact O-N 3.45Å; K891-S895 PolarHBondContact O-OG 3.05Å
892D91.7Very high89.3Confident87 Ų8748.4 Ų48.447%0.46527%0.272SS..Hα-helixtrans-67.2-37.4175.4-64.9-18.9000110.5N889 S895 Y896 F932N889-D892 HydrophobicContact CB-CB 4.03Å; N889-D892 WeakPolarHBondContact CB-OD2 3.43Å; N889-D892 PolarHBondContact O-N 3.3Å; N889-D892 PolarHBondContact OD1-N 2.86Å; D892-S895 PolarHBondContact O-N 3.47Å; D892-Y896 WeakPolarHBondContact O-CB 3.44Å; D892-Y896 PolarHBondContact O-N 3.35Å; D892-F932 HydrophobicContact CB-CZ 4.14Å
893W93.8Very high89.5Confident12 Ų1248.4 Ų48.45%0.04528%0.281CS..Hα-helixtrans-63.7-46.4179.8-16512.6000112.5A859 M861 A876 V878 L888 N889 A890 K891 L897 A929 F932 A933A859-W893 HydrophobicContact CB-CH2 4.36Å; A859-W893 HydrophobicContact CB-CZ3 3.94Å; M861-W893 HydrophobicContact CB-CE3 4.47Å; M861-W893 HydrophobicContact CB-CH2 3.54Å; M861-W893 HydrophobicContact CB-CZ2 3.82Å; M861-W893 HydrophobicContact CB-CZ3 3.88Å; M861-W893 HydrophobicContact CE-CB 4.19Å; M861-W893 HydrophobicContact CE-CD2 3.38Å; M861-W893 HydrophobicContact CE-CE3 3.87Å; M861-W893 HydrophobicContact CE-CG 3.5Å; M861-W893 HydrophobicContact CE-CZ2 4.23Å; M861-W893 HydrophobicContact CE-CZ3 4.45Å; A876-W893 HydrophobicContact CB-CE3 3.84Å; A876-W893 HydrophobicContact CB-CZ3 4.25Å; V878-W893 HydrophobicContact CG2-CE3 4.2Å; V878-W893 HydrophobicContact CG2-CZ3 4.42Å; L888-W893 HydrophobicContact CD1-CB 4.46Å; L888-W893 HydrophobicContact CD1-CG 4.43Å; L888-W893 HydrophobicContact CD2-CE3 4.17Å; L888-W893 HydrophobicContact CD2-CZ3 4.33Å; N889-W893 WeakPolarHBondContact O-CB 3.21Å; N889-W893 PolarHBondContact O-N 2.95Å; A890-W893 PolarHBondContact O-N 3.15Å; K891-W893 VanDerWaalsContact C-N 3.29Å; W893-L897 PolarHBondContact O-N 3.05Å; W893-A929 PolarHBondContact NE1-O 2.84Å; W893-F932 HydrophobicContact CB-CD1 4.14Å; W893-F932 HydrophobicContact CB-CE1 4.02Å; W893-F932 AromaticContact CD1-CD1 3.42Å; W893-F932 VanDerWaalsContact CD1-CD1 3.42Å; W893-F932 AromaticContact CG-CD1 3.93Å; W893-F932 HydrophobicContact CG-CD1 3.93Å; W893-F932 HydrophobicContact CG-CE1 4.31Å; W893-A933 HydrophobicContact CH2-CB 4.48Å; W893-A933 HydrophobicContact CZ2-CB 3.83Å
894T94.4Very high89.9Confident0 Ų056.3 Ų56.30%031%0.313CS..Hα-helixtrans-70-37.317552.60000112.4M861 A876 A890 K891 Y896 L897 C898 S912 A914M861-T894 HydrophobicContact CE-CG2 4.07Å; A876-T894 HydrophobicContact CB-CG2 3.92Å; A890-T894 PolarHBondContact O-N 2.93Å; A890-T894 VanDerWaalsContact O-N 3.09Å; A890-T894 PolarHBondContact O-OG1 3.42Å; K891-T894 PolarHBondContact O-OG1 3.32Å; K891-T894 VanDerWaalsContact O-OG1 3.05Å; T894-Y896 VanDerWaalsContact C-N 3.35Å; T894-L897 PolarHBondContact O-N 3.4Å; T894-C898 PolarHBondContact O-N 2.87Å; T894-S912 PolarHBondContact OG1-OG 2.64Å; T894-A914 HydrophobicContact CG2-CB 4.32Å
895S93.7Very high90.3Very high41 Ų4152.2 Ų52.229%0.28730%0.299SS..Hα-helixtrans-67.7-34.9179.2-57.10000112.5K891 D892 L897 C898 S899 S905K891-S895 VanDerWaalsContact O-CB 3.23Å; K891-S895 WeakPolarHBondContact O-CB 3.48Å; K891-S895 PolarHBondContact O-N 3.45Å; K891-S895 PolarHBondContact O-OG 3.05Å; D892-S895 PolarHBondContact O-N 3.47Å; S895-L897 VanDerWaalsContact C-N 3.31Å; S895-L897 PolarHBondContact O-N 3.16Å; S895-C898 PolarHBondContact O-N 3.46Å; S895-S899 PolarHBondContact O-N 3.39Å; S895-S905 PolarHBondContact OG-OG 3.45Å
896Y93.9Very high90.7Very high73 Ų7348.1 Ų48.129%0.28629%0.285SS..Hα-helixtrans-60.2-40.6172176.1-103.7000112.2D892 T894 S899 M900 A928 F932D892-Y896 WeakPolarHBondContact O-CB 3.44Å; D892-Y896 PolarHBondContact O-N 3.35Å; T894-Y896 VanDerWaalsContact C-N 3.35Å; Y896-S899 PolarHBondContact O-N 3.27Å; Y896-S899 PolarHBondContact O-OG 3.27Å; Y896-M900 HydrophobicContact CE1-CG 4.46Å; Y896-M900 HydrophobicContact CE2-CG 4.4Å; Y896-M900 WeakPolarHBondContact O-CG 3.35Å; Y896-M900 PolarHBondContact O-N 3.47Å; Y896-A928 HydrophobicContact CE1-CB 4.19Å; Y896-A928 WeakPolarHBondContact CE1-O 3.07Å; Y896-F932 HydrophobicContact CD1-CB 3.76Å; Y896-F932 AromaticContact CD1-CD2 3.56Å; Y896-F932 HydrophobicContact CD1-CD2 3.56Å; Y896-F932 HydrophobicContact CD1-CE2 4.4Å; Y896-F932 AromaticContact CD1-CG 3.86Å; Y896-F932 HydrophobicContact CD1-CG 3.86Å; Y896-F932 AromaticContact CD2-CD2 3.7Å; Y896-F932 HydrophobicContact CD2-CD2 3.7Å; Y896-F932 AromaticContact CD2-CE2 3.97Å; Y896-F932 HydrophobicContact CD2-CE2 3.97Å; Y896-F932 HydrophobicContact CE1-CB 3.85Å; Y896-F932 AromaticContact CE1-CD2 3.99Å; Y896-F932 HydrophobicContact CE1-CD2 3.99Å; Y896-F932 HydrophobicContact CE1-CG 4.32Å; Y896-F932 HydrophobicContact CE2-CD2 4.12Å; Y896-F932 HydrophobicContact CG-CB 4.47Å; Y896-F932 AromaticContact CG-CD2 3.39Å; Y896-F932 HydrophobicContact CG-CD2 3.39Å; Y896-F932 AromaticContact CG-CE2 3.8Å; Y896-F932 HydrophobicContact CG-CE2 3.8Å; Y896-F932 HydrophobicContact CG-CG 4.09Å
897L94.5Very high91.2Very high0 Ų047.6 Ų47.60%028%0.28CS..Hα-helixtrans-66-43.9173.8-62.7-179.3000111.6M861 F863 W893 T894 S895 S899 M900 F901 L916 I925 A928 A929M861-L897 HydrophobicContact CE-CD1 3.88Å; M861-L897 HydrophobicContact SD-CD1 3.5Å; M861-L897 WeakPolarHBondContact SD-CD1 3.49Å; F863-L897 HydrophobicContact CE1-CD1 4.06Å; F863-L897 HydrophobicContact CZ-CD1 4.38Å; W893-L897 PolarHBondContact O-N 3.05Å; T894-L897 PolarHBondContact O-N 3.4Å; S895-L897 VanDerWaalsContact C-N 3.31Å; S895-L897 PolarHBondContact O-N 3.16Å; L897-S899 VanDerWaalsContact C-N 3.26Å; L897-S899 PolarHBondContact O-N 3.17Å; L897-M900 PolarHBondContact O-N 3.01Å; L897-M900 VanDerWaalsContact O-N 3.07Å; L897-F901 HydrophobicContact CD2-CD2 4.34Å; L897-F901 HydrophobicContact CD2-CE2 4.07Å; L897-F901 WeakPolarHBondContact O-CD2 3.45Å; L897-F901 PolarHBondContact O-N 3.46Å; L897-L916 HydrophobicContact CB-CD1 4.15Å; L897-L916 HydrophobicContact CB-CD2 3.98Å; L897-L916 HydrophobicContact CD1-CD1 4.41Å; L897-I925 HydrophobicContact CD1-CG2 4.33Å; L897-I925 HydrophobicContact CD2-CG2 4.48Å; L897-A928 HydrophobicContact CD2-CB 3.98Å; L897-A929 HydrophobicContact CD1-CB 4.04Å; L897-A929 HydrophobicContact CD2-CB 4.01Å; L897-A929 HydrophobicContact CG-CB 4.5Å
898C93.4Very high91.6Very high18 Ų1851.1 Ų51.112%0.12229%0.294CS..Hα-helixtrans-61.2-33.8176.3-70.10000113T894 S895 M900 G902 S905 L916T894-C898 PolarHBondContact O-N 2.87Å; S895-C898 PolarHBondContact O-N 3.46Å; C898-M900 VanDerWaalsContact C-N 3.29Å; C898-M900 PolarHBondContact O-N 3.3Å; C898-G902 WeakPolarHBondContact CA-O 3.43Å; C898-G902 CarbonylContact O-C 3.5Å; C898-G902 VanDerWaalsContact O-CA 3.24Å; C898-G902 WeakPolarHBondContact O-CA 3.38Å; C898-G902 PolarHBondContact O-N 3.02Å; C898-S905 PolarHBondContact SG-N 3.04Å; C898-L916 HydrophobicContact CB-CD2 4.47Å
899S92.4Very high91.7Very high94 Ų9455 Ų5566%0.65732%0.315SS*.Hα-helixtrans-70.2-25.6176.164.90000113.5S895 Y896 L897S895-S899 PolarHBondContact O-N 3.39Å; Y896-S899 PolarHBondContact O-N 3.27Å; Y896-S899 PolarHBondContact O-OG 3.27Å; L897-S899 VanDerWaalsContact C-N 3.26Å; L897-S899 PolarHBondContact O-N 3.17Å
900M91.9Very high91.7Very high90 Ų9056 Ų5644%0.44332%0.321SS..Hα-helixtrans-92.6-36.2-177.5-73.9-88.8-74.100113Y896 L897 C898 A928Y896-M900 HydrophobicContact CE1-CG 4.46Å; Y896-M900 HydrophobicContact CE2-CG 4.4Å; Y896-M900 WeakPolarHBondContact O-CG 3.35Å; Y896-M900 PolarHBondContact O-N 3.47Å; L897-M900 PolarHBondContact O-N 3.01Å; L897-M900 VanDerWaalsContact O-N 3.07Å; C898-M900 VanDerWaalsContact C-N 3.29Å; C898-M900 PolarHBondContact O-N 3.3Å; M900-A928 HydrophobicContact CE-CB 4.19Å
901F93.6Very high91.6Very high3 Ų360 Ų601%0.01334%0.343CS..Hα-helixtrans-124.412-169.3-54.6-78.5000113.7L897 D917 D924 I925 A928L897-F901 HydrophobicContact CD2-CD2 4.34Å; L897-F901 HydrophobicContact CD2-CE2 4.07Å; L897-F901 WeakPolarHBondContact O-CD2 3.45Å; L897-F901 PolarHBondContact O-N 3.46Å; F901-D917 PolarHBondContact O-N 3.07Å; F901-D924 HydrophobicContact CE1-CB 3.76Å; F901-D924 HydrophobicContact CZ-CB 3.99Å; F901-D924 WeakPolarHBondContact CZ-O 3.31Å; F901-I925 HydrophobicContact CB-CD1 4.4Å; F901-I925 HydrophobicContact CB-CG1 4.15Å; F901-I925 HydrophobicContact CD1-CD1 4.36Å; F901-I925 HydrophobicContact CD1-CG1 3.58Å; F901-I925 HydrophobicContact CD2-CB 4.36Å; F901-I925 HydrophobicContact CD2-CG1 3.62Å; F901-I925 HydrophobicContact CE1-CG1 3.77Å; F901-I925 HydrophobicContact CE2-CB 4.22Å; F901-I925 HydrophobicContact CE2-CG1 3.83Å; F901-I925 HydrophobicContact CG-CD1 4.24Å; F901-I925 HydrophobicContact CG-CG1 3.5Å; F901-I925 VanDerWaalsContact CG-CG1 3.5Å; F901-I925 HydrophobicContact CZ-CB 4.36Å; F901-I925 HydrophobicContact CZ-CG1 3.9Å; F901-A928 HydrophobicContact CE2-CB 3.65Å; F901-A928 HydrophobicContact CZ-CB 3.87Å
902G90.1Very high91.6Very high30 Ų3055.7 Ų55.731%0.30933%0.325SS..  trans70.5178.3-174.700000113.3C898 L916C898-G902 WeakPolarHBondContact CA-O 3.43Å; C898-G902 CarbonylContact O-C 3.5Å; C898-G902 VanDerWaalsContact O-CA 3.24Å; C898-G902 WeakPolarHBondContact O-CA 3.38Å; C898-G902 PolarHBondContact O-N 3.02Å; G902-L916 WeakPolarHBondContact O-CD2 3.48Å
903G89.6Confident91.6Very high31 Ų3155.8 Ų55.832%0.3232%0.323SS..  trans100.2-166.1178.400000115.7L915 D917G903-L915 CarbonylContact C-O 3.44Å; G903-L915 WeakPolarHBondContact CA-O 3.1Å; G903-D917 PolarHBondContact N-OD2 3.37Å; G903-D917 VanDerWaalsContact N-OD2 3.07Å
904K90.9Very high91.5Very high177 Ų17755.3 Ų55.377%0.7732%0.322SS*.EExtended strand (participates in β ladder)trans-132.5134.5-175.8-64.8-176.5-177.71790111.3A914 L915K904-A914 WeakPolarHBondContact O-CA 3.25Å; K904-L915 PolarHBondContact N-O 3.04Å; K904-L915 PolarHBondContact O-N 3.49Å
905S91.4Very high91.4Very high45 Ų4559.1 Ų59.132%0.31534%0.341SS..EExtended strand (participates in β ladder)trans-109.6158.917463.70000111.7S895 C898 Q913S895-S905 PolarHBondContact OG-OG 3.45Å; C898-S905 PolarHBondContact SG-N 3.04Å; S905-Q913 CarbonylContact C-O 3.51Å; S905-Q913 WeakPolarHBondContact CA-O 3.38Å
906G88.4Confident91.4Very high33 Ų3357.1 Ų57.134%0.3433%0.328SS..EExtended strand (participates in β ladder)trans-163154.3173.700000112.1S912 Q913G906-S912 CarbonylContact O-C 3.59Å; G906-S912 WeakPolarHBondContact O-CA 3.45Å; G906-S912 PolarHBondContact O-OG 3.48Å; G906-Q913 PolarHBondContact N-O 3.02Å; G906-Q913 PolarHBondContact O-N 3.11Å; G906-Q913 VanDerWaalsContact O-O 3.13Å
907G88Confident91.2Very high49 Ų4957 Ų5751%0.50533%0.332SS..EExtended strand (participates in β ladder)trans143.7-166.9178.700000114.5N911G907-N911 WeakPolarHBondContact CA-O 3.07Å
908K89.5Confident90.7Very high163 Ų16360.1 Ų60.171%0.70935%0.346SS*.  trans-108.3170.5177.5-62.3-176.9179.5-1790110.2V910 N911K908-V910 PolarHBondContact O-N 3.1Å; K908-V910 VanDerWaalsContact O-N 3.13Å; K908-N911 PolarHBondContact N-O 3.39Å; K908-N911 CarbonylContact O-C 3.46Å; K908-N911 VanDerWaalsContact O-C 3.32Å; K908-N911 PolarHBondContact O-N 3.06Å; K908-N911 VanDerWaalsContact O-N 3.16Å
909D89.3Confident90.3Very high84 Ų8460.7 Ų60.745%0.44935%0.35SS..SBendtrans-61-26.9-177.1-55.7-30.6000114.1A883 N889 A890A883-D909 HydrophobicContact CB-CB 4.23Å; N889-D909 WeakPolarHBondContact ND2-CB 3.35Å; N889-D909 PolarHBondContact ND2-OD1 3.38Å; N889-D909 WeakPolarHBondContact OD1-CA 3.47Å; A890-D909 WeakPolarHBondContact CB-O 3.37Å; A890-D909 PolarHBondContact N-O 2.97Å
910V90.3Very high90.1Very high47 Ų4761.7 Ų61.729%0.28536%0.357SS..SBendtrans-89.5-34.2176.8-66.80000113.2C877 V878 K880 A883 A890 K908C877-V910 CarbonylContact C-O 3.58Å; C877-V910 WeakPolarHBondContact CA-O 3.28Å; V878-V910 PolarHBondContact N-O 2.86Å; K880-V910 HydrophobicContact CB-CG1 4.29Å; K880-V910 HydrophobicContact CG-CG1 4.46Å; A883-V910 HydrophobicContact CB-CG1 3.91Å; A890-V910 WeakPolarHBondContact CB-O 3.44Å; K908-V910 PolarHBondContact O-N 3.1Å; K908-V910 VanDerWaalsContact O-N 3.13Å
911N90.7Very high90Very high86 Ų8662 Ų6246%0.4635%0.353SS..EExtended strand (participates in β ladder)trans-139.4123.1-174.8-68.510.4000110A876 C877 G907 K908A876-N911 WeakPolarHBondContact O-CA 3.34Å; C877-N911 PolarHBondContact SG-OD1 3.12Å; C877-N911 VanDerWaalsContact SG-OD1 3.4Å; G907-N911 WeakPolarHBondContact CA-O 3.07Å; K908-N911 PolarHBondContact N-O 3.39Å; K908-N911 CarbonylContact O-C 3.46Å; K908-N911 VanDerWaalsContact O-C 3.32Å; K908-N911 PolarHBondContact O-N 3.06Å; K908-N911 VanDerWaalsContact O-N 3.16Å
912S92.4Very high89.8Confident6 Ų664.4 Ų64.44%0.04237%0.365CS..EExtended strand (participates in β ladder)trans-141.2156.3178.2-175.70000111.8M875 A876 A890 T894 G906M875-S912 CarbonylContact C-O 3.49Å; A876-S912 PolarHBondContact N-O 3.37Å; A876-S912 PolarHBondContact O-N 3.46Å; A890-S912 WeakPolarHBondContact O-CB 3.37Å; T894-S912 PolarHBondContact OG1-OG 2.64Å; G906-S912 CarbonylContact O-C 3.59Å; G906-S912 WeakPolarHBondContact O-CA 3.45Å; G906-S912 PolarHBondContact O-OG 3.48Å
913Q92.4Very high89.9Confident89 Ų8969.5 Ų69.542%0.41639%0.386SS..EExtended strand (participates in β ladder)trans-131154.7175.866.3-175.714.900110.6C874 M875 S905 G906C874-Q913 CarbonylContact O-C 3.49Å; C874-Q913 WeakPolarHBondContact O-CA 3.45Å; M875-Q913 HydrophobicContact CG-CB 3.91Å; S905-Q913 CarbonylContact C-O 3.51Å; S905-Q913 WeakPolarHBondContact CA-O 3.38Å; G906-Q913 PolarHBondContact N-O 3.02Å; G906-Q913 PolarHBondContact O-N 3.11Å; G906-Q913 VanDerWaalsContact O-O 3.13Å
914A91.9Very high90.1Very high3 Ų371.4 Ų71.43%0.02539%0.388CS..EExtended strand (participates in β ladder)trans-141.5150.3174.700000111.4L873 C874 T894 K904 L916L873-A914 WeakPolarHBondContact CA-O 3.21Å; C874-A914 PolarHBondContact N-O 3.5Å; C874-A914 PolarHBondContact O-N 3.38Å; C874-A914 WeakPolarHBondContact SG-CB 3.45Å; T894-A914 HydrophobicContact CG2-CB 4.32Å; K904-A914 WeakPolarHBondContact O-CA 3.25Å; A914-L916 HydrophobicContact CB-CD2 4.35Å
915L91.5Very high90.3Very high79 Ų7963 Ų6341%0.41435%0.352SS..EExtended strand (participates in β ladder)trans-115.6114.8168.7-171.373000107.8K871 V872 L873 G903 K904K871-L915 HydrophobicContact CB-CD1 3.77Å; K871-L915 HydrophobicContact CB-CG 4.19Å; K871-L915 HydrophobicContact CD-CD2 4.44Å; K871-L915 HydrophobicContact CD-CG 4.34Å; K871-L915 HydrophobicContact CG-CD1 4.28Å; K871-L915 HydrophobicContact CG-CD2 4.33Å; K871-L915 HydrophobicContact CG-CG 4.28Å; V872-L915 CarbonylContact O-C 3.58Å; V872-L915 WeakPolarHBondContact O-CA 3.26Å; L873-L915 HydrophobicContact CB-CD1 4.2Å; L873-L915 HydrophobicContact CD1-CD1 4.35Å; G903-L915 CarbonylContact C-O 3.44Å; G903-L915 WeakPolarHBondContact CA-O 3.1Å; K904-L915 PolarHBondContact N-O 3.04Å; K904-L915 PolarHBondContact O-N 3.49Å
916L92.8Very high90.4Very high0 Ų062.7 Ų62.70%035%0.348CS..EExtended strand (participates in β ladder)trans-103.3156.7-175.5-51.8171000111.1K871 V872 L897 C898 G902 A914 I925K871-L916 VanDerWaalsContact CA-O 3.3Å; K871-L916 WeakPolarHBondContact CA-O 3.16Å; K871-L916 WeakPolarHBondContact CD-O 3.41Å; V872-L916 HydrophobicContact CB-CB 4.24Å; V872-L916 PolarHBondContact N-O 2.91Å; V872-L916 PolarHBondContact O-N 3.14Å; L897-L916 HydrophobicContact CB-CD1 4.15Å; L897-L916 HydrophobicContact CB-CD2 3.98Å; L897-L916 HydrophobicContact CD1-CD1 4.41Å; C898-L916 HydrophobicContact CB-CD2 4.47Å; G902-L916 WeakPolarHBondContact O-CD2 3.48Å; A914-L916 HydrophobicContact CB-CD2 4.35Å; L916-I925 HydrophobicContact CD1-CD1 4Å; L916-I925 HydrophobicContact CD1-CG1 4.25Å; L916-I925 HydrophobicContact CD1-CG2 3.51Å
917D90.4Very high90.6Very high71 Ų7166.6 Ų66.638%0.3836%0.356SS..SBendtrans-101.2-5.4-167.8-62.9-29.7000114.8K871 F901 G903 P919K871-D917 IonicContact NZ-OD1 3.04Å; K871-D917 PolarHBondContact NZ-OD1 3.2Å; F901-D917 PolarHBondContact O-N 3.07Å; G903-D917 PolarHBondContact N-OD2 3.37Å; G903-D917 VanDerWaalsContact N-OD2 3.07Å; D917-P919 VanDerWaalsContact O-CD 3.32Å; D917-P919 WeakPolarHBondContact O-CD 3.35Å
918E84.7Confident90.8Very high65 Ų6564.5 Ų64.530%0.30433%0.334SS..  trans-121.772.7-170.4-63.9-173.1174.600113.3S920 R921 I925E918-S920 VanDerWaalsContact C-N 3.26Å; E918-S920 PolarHBondContact O-N 2.98Å; E918-R921 HydrophobicContact CB-CB 4.34Å; E918-R921 PolarHBondContact O-N 3.03Å; E918-R921 VanDerWaalsContact O-N 3.09Å; E918-R921 VanDerWaalsContact OE2-CD 3.23Å; E918-R921 WeakPolarHBondContact OE2-CD 3.46Å; E918-R921 IonicContact OE2-CZ 3.48Å; E918-R921 IonicContact OE2-NE 3.55Å; E918-R921 IonicContact OE2-NH1 3.56Å; E918-R921 PolarHBondContact OE2-NH1 3.2Å; E918-I925 WeakPolarHBondContact O-CD1 3.23Å
919P84.3Confident91Very high30 Ų3056.9 Ų56.920%0.19530%0.301CS..G310 helixtrans-63.6-28.3-17829.5-38.8000114.1V865 S870 V872 D917 R921 L922V865-P919 HydrophobicContact CG1-CB 3.88Å; S870-P919 WeakPolarHBondContact O-CD 3.43Å; V872-P919 VanDerWaalsContact CG2-CA 3.49Å; V872-P919 HydrophobicContact CG2-CB 3.91Å; D917-P919 VanDerWaalsContact O-CD 3.32Å; D917-P919 WeakPolarHBondContact O-CD 3.35Å; P919-R921 PolarHBondContact O-N 3.12Å; P919-R921 VanDerWaalsContact O-N 3.17Å; P919-L922 PolarHBondContact O-N 3.06Å
920S87.5Confident91Very high114 Ų11453.9 Ų53.980%0.79729%0.285SS*.G310 helixtrans-64-16.8175.953.60000113.4E918E918-S920 VanDerWaalsContact C-N 3.26Å; E918-S920 PolarHBondContact O-N 2.98Å
921R89.8Confident91Very high98 Ų9854.7 Ų54.737%0.3729%0.287SS..G310 helixtrans-109.127.9-178.9-67.3-176.764.9-1555.6111.9E918 P919 D923 D924 I925E918-R921 HydrophobicContact CB-CB 4.34Å; E918-R921 PolarHBondContact O-N 3.03Å; E918-R921 VanDerWaalsContact O-N 3.09Å; E918-R921 VanDerWaalsContact OE2-CD 3.23Å; E918-R921 WeakPolarHBondContact OE2-CD 3.46Å; E918-R921 IonicContact OE2-CZ 3.48Å; E918-R921 IonicContact OE2-NE 3.55Å; E918-R921 IonicContact OE2-NH1 3.56Å; E918-R921 PolarHBondContact OE2-NH1 3.2Å; P919-R921 PolarHBondContact O-N 3.12Å; P919-R921 VanDerWaalsContact O-N 3.17Å; R921-D923 PolarHBondContact O-N 2.85Å; R921-D924 HydrophobicContact CB-CB 4.18Å; R921-D924 IonicContact CZ-OD2 3.07Å; R921-D924 IonicContact NE-OD2 2.66Å; R921-D924 PolarHBondContact NE-OD2 3.15Å; R921-D924 IonicContact NH2-OD2 2.95Å; R921-D924 PolarHBondContact NH2-OD2 2.96Å; R921-D924 WeakPolarHBondContact O-CA 3.35Å; R921-D924 WeakPolarHBondContact O-CB 3.46Å; R921-D924 PolarHBondContact O-N 2.66Å; R921-I925 WeakPolarHBondContact O-CG1 3.21Å; R921-I925 PolarHBondContact O-N 3.32Å
922L90.9Very high91Very high52 Ų5252.1 Ų52.127%0.27227%0.272SS..Hα-helixtrans-51.2-44.3178.9-177.967.3000112.3F863 V865 V872 P919 D924 I925 V926F863-L922 HydrophobicContact CB-CD1 4.27Å; V865-L922 HydrophobicContact CG2-CD1 3.96Å; V865-L922 HydrophobicContact CG2-CD2 3.7Å; V865-L922 HydrophobicContact CG2-CG 4.31Å; V872-L922 HydrophobicContact CG1-CD1 4Å; P919-L922 PolarHBondContact O-N 3.06Å; L922-D924 VanDerWaalsContact C-N 3.34Å; L922-D924 PolarHBondContact O-N 2.87Å; L922-I925 WeakPolarHBondContact O-CB 3.42Å; L922-I925 PolarHBondContact O-N 2.72Å; L922-V926 HydrophobicContact CD1-CG2 4.25Å; L922-V926 HydrophobicContact CG-CG2 4.34Å; L922-V926 VanDerWaalsContact O-CG2 3.3Å; L922-V926 WeakPolarHBondContact O-CG2 3.44Å; L922-V926 PolarHBondContact O-N 3.39Å
923D92Very high90.8Very high137 Ų13751.9 Ų51.973%0.73327%0.27SS*.Hα-helixtrans-63.6-38.9179-71.3-28.2000112.3R921 K927R921-D923 PolarHBondContact O-N 2.85Å; D923-K927 WeakPolarHBondContact O-CB 3.33Å; D923-K927 PolarHBondContact O-N 2.81Å
924D93.7Very high90.4Very high71 Ų7151.6 Ų51.638%0.3827%0.268SS..Hα-helixtrans-67.2-40.5173.9-68.6-20.1000111.2F901 R921 L922 K927 A928F901-D924 HydrophobicContact CE1-CB 3.76Å; F901-D924 HydrophobicContact CZ-CB 3.99Å; F901-D924 WeakPolarHBondContact CZ-O 3.31Å; R921-D924 HydrophobicContact CB-CB 4.18Å; R921-D924 IonicContact CZ-OD2 3.07Å; R921-D924 IonicContact NE-OD2 2.66Å; R921-D924 PolarHBondContact NE-OD2 3.15Å; R921-D924 IonicContact NH2-OD2 2.95Å; R921-D924 PolarHBondContact NH2-OD2 2.96Å; R921-D924 WeakPolarHBondContact O-CA 3.35Å; R921-D924 WeakPolarHBondContact O-CB 3.46Å; R921-D924 PolarHBondContact O-N 2.66Å; L922-D924 VanDerWaalsContact C-N 3.34Å; L922-D924 PolarHBondContact O-N 2.87Å; D924-K927 PolarHBondContact O-N 3.46Å; D924-A928 VanDerWaalsContact O-CB 3.28Å; D924-A928 WeakPolarHBondContact O-CB 3.42Å; D924-A928 PolarHBondContact O-N 2.89Å
925I93.8Very high90Very high0 Ų058.5 Ų58.50%030%0.304CS..Hα-helixtrans-60.9-50.2177.5-69.7165.8000110F863 V872 L897 F901 L916 E918 R921 L922 K927 A928 A929F863-I925 HydrophobicContact CD1-CG2 4.1Å; F863-I925 HydrophobicContact CE1-CG2 3.58Å; F863-I925 HydrophobicContact CZ-CG2 4.35Å; V872-I925 HydrophobicContact CG2-CD1 4.15Å; L897-I925 HydrophobicContact CD1-CG2 4.33Å; L897-I925 HydrophobicContact CD2-CG2 4.48Å; F901-I925 HydrophobicContact CB-CD1 4.4Å; F901-I925 HydrophobicContact CB-CG1 4.15Å; F901-I925 HydrophobicContact CD1-CD1 4.36Å; F901-I925 HydrophobicContact CD1-CG1 3.58Å; F901-I925 HydrophobicContact CD2-CB 4.36Å; F901-I925 HydrophobicContact CD2-CG1 3.62Å; F901-I925 HydrophobicContact CE1-CG1 3.77Å; F901-I925 HydrophobicContact CE2-CB 4.22Å; F901-I925 HydrophobicContact CE2-CG1 3.83Å; F901-I925 HydrophobicContact CG-CD1 4.24Å; F901-I925 HydrophobicContact CG-CG1 3.5Å; F901-I925 VanDerWaalsContact CG-CG1 3.5Å; F901-I925 HydrophobicContact CZ-CB 4.36Å; F901-I925 HydrophobicContact CZ-CG1 3.9Å; L916-I925 HydrophobicContact CD1-CD1 4Å; L916-I925 HydrophobicContact CD1-CG1 4.25Å; L916-I925 HydrophobicContact CD1-CG2 3.51Å; E918-I925 WeakPolarHBondContact O-CD1 3.23Å; R921-I925 WeakPolarHBondContact O-CG1 3.21Å; R921-I925 PolarHBondContact O-N 3.32Å; L922-I925 WeakPolarHBondContact O-CB 3.42Å; L922-I925 PolarHBondContact O-N 2.72Å; I925-K927 VanDerWaalsContact C-N 3.34Å; I925-A928 PolarHBondContact O-N 3.46Å; I925-A929 WeakPolarHBondContact O-CB 3.27Å; I925-A929 PolarHBondContact O-N 2.75Å
926V93.3Very high89.5Confident39 Ų3959.7 Ų59.724%0.23631%0.305CS..Hα-helixtrans-62.2-44.6178.4172.80000110.1F863 L922 A929 E930F863-V926 HydrophobicContact CD2-CG2 3.94Å; F863-V926 HydrophobicContact CE2-CG2 3.88Å; F863-V926 HydrophobicContact CG-CG2 4.39Å; F863-V926 HydrophobicContact CZ-CG2 4.27Å; L922-V926 HydrophobicContact CD1-CG2 4.25Å; L922-V926 HydrophobicContact CG-CG2 4.34Å; L922-V926 VanDerWaalsContact O-CG2 3.3Å; L922-V926 WeakPolarHBondContact O-CG2 3.44Å; L922-V926 PolarHBondContact O-N 3.39Å; V926-A929 WeakPolarHBondContact O-CB 3.38Å; V926-A929 PolarHBondContact O-N 2.94Å; V926-E930 WeakPolarHBondContact O-CG 3.47Å; V926-E930 PolarHBondContact O-N 3.16Å
927K92.6Very high88.6Confident115 Ų11561.4 Ų61.450%0.531%0.314SS..Hα-helixtrans-61.6-45.6177.2-175-179.8178.1-174.10112.2D923 D924 I925 A929 E930 D931D923-K927 WeakPolarHBondContact O-CB 3.33Å; D923-K927 PolarHBondContact O-N 2.81Å; D924-K927 PolarHBondContact O-N 3.46Å; I925-K927 VanDerWaalsContact C-N 3.34Å; K927-A929 VanDerWaalsContact C-N 3.3Å; K927-A929 PolarHBondContact O-N 3.1Å; K927-E930 PolarHBondContact O-N 2.84Å; K927-D931 WeakPolarHBondContact O-CB 3.33Å; K927-D931 VanDerWaalsContact O-CG 3.24Å; K927-D931 PolarHBondContact O-N 3.13Å
928A93.1Very high87.4Confident6 Ų659.4 Ų59.45%0.0531%0.311CS..Hα-helixtrans-62.4-38.1176.700000111.9Y896 L897 M900 F901 D924 I925 F932Y896-A928 HydrophobicContact CE1-CB 4.19Å; Y896-A928 WeakPolarHBondContact CE1-O 3.07Å; L897-A928 HydrophobicContact CD2-CB 3.98Å; M900-A928 HydrophobicContact CE-CB 4.19Å; F901-A928 HydrophobicContact CE2-CB 3.65Å; F901-A928 HydrophobicContact CZ-CB 3.87Å; D924-A928 VanDerWaalsContact O-CB 3.28Å; D924-A928 WeakPolarHBondContact O-CB 3.42Å; D924-A928 PolarHBondContact O-N 2.89Å; I925-A928 PolarHBondContact O-N 3.46Å; A928-F932 WeakPolarHBondContact O-CB 3.23Å; A928-F932 PolarHBondContact O-N 3.26Å
929A93Very high86.2Confident3 Ų362.7 Ų62.73%0.02534%0.338CS..Hα-helixtrans-64.3-45.417500000111.5M861 F863 W893 L897 I925 V926 K927 A933M861-A929 HydrophobicContact SD-CB 3.91Å; F863-A929 HydrophobicContact CZ-CB 3.87Å; W893-A929 PolarHBondContact NE1-O 2.84Å; L897-A929 HydrophobicContact CD1-CB 4.04Å; L897-A929 HydrophobicContact CD2-CB 4.01Å; L897-A929 HydrophobicContact CG-CB 4.5Å; I925-A929 WeakPolarHBondContact O-CB 3.27Å; I925-A929 PolarHBondContact O-N 2.75Å; V926-A929 WeakPolarHBondContact O-CB 3.38Å; V926-A929 PolarHBondContact O-N 2.94Å; K927-A929 VanDerWaalsContact C-N 3.3Å; K927-A929 PolarHBondContact O-N 3.1Å; A929-A933 PolarHBondContact O-N 3.21Å; A929-A933 VanDerWaalsContact O-N 3.1Å
930E90.7Very high85Confident21 Ų2163.3 Ų63.310%0.09834%0.341CS..Hα-helixtrans-61.1-46.7175.3-76178.1-165.600112V926 K927 F932 A933 K934 R942V926-E930 WeakPolarHBondContact O-CG 3.47Å; V926-E930 PolarHBondContact O-N 3.16Å; K927-E930 PolarHBondContact O-N 2.84Å; E930-F932 PolarHBondContact O-N 3.37Å; E930-A933 PolarHBondContact O-N 3.38Å; E930-K934 WeakPolarHBondContact O-CB 3.48Å; E930-K934 VanDerWaalsContact O-CG 3.31Å; E930-K934 WeakPolarHBondContact O-CG 3.17Å; E930-K934 PolarHBondContact O-N 3.26Å; E930-K934 IonicContact OE2-NZ 3.4Å; E930-K934 PolarHBondContact OE2-NZ 2.94Å; E930-R942 WeakPolarHBondContact OE1-CD 3.43Å; E930-R942 WeakPolarHBondContact OE1-CG 3.49Å; E930-R942 IonicContact OE1-CZ 3.97Å; E930-R942 IonicContact OE1-NE 3.46Å; E930-R942 PolarHBondContact OE1-NE 2.55Å; E930-R942 IonicContact OE1-NH2 3.95Å; E930-R942 IonicContact OE2-CZ 3.71Å; E930-R942 IonicContact OE2-NE 3.49Å; E930-R942 PolarHBondContact OE2-NE 2.64Å; E930-R942 IonicContact OE2-NH2 2.71Å; E930-R942 PolarHBondContact OE2-NH2 2.95Å
931D90.1Very high83.6Confident64 Ų6465.3 Ų65.334%0.34234%0.343SS..Hα-helixtrans-64.6-41-177.2-71-17.1000111.1K927 A933 K934 L935K927-D931 WeakPolarHBondContact O-CB 3.33Å; K927-D931 VanDerWaalsContact O-CG 3.24Å; K927-D931 PolarHBondContact O-N 3.13Å; D931-A933 PolarHBondContact O-N 3.25Å; D931-K934 PolarHBondContact O-N 3.05Å; D931-K934 IonicContact OD1-NZ 3.34Å; D931-L935 WeakPolarHBondContact O-CG 3.46Å; D931-L935 PolarHBondContact O-N 2.65Å
932F90.6Very high81.9Confident31 Ų3172.9 Ų72.914%0.13637%0.371CS..Hα-helixtrans-60.7-44.5172.8-171.7-90.5000111.9L888 D892 W893 Y896 A928 E930 K936L888-F932 HydrophobicContact CD1-CD1 3.89Å; L888-F932 HydrophobicContact CD1-CE1 3.72Å; D892-F932 HydrophobicContact CB-CZ 4.14Å; W893-F932 HydrophobicContact CB-CD1 4.14Å; W893-F932 HydrophobicContact CB-CE1 4.02Å; W893-F932 AromaticContact CD1-CD1 3.42Å; W893-F932 VanDerWaalsContact CD1-CD1 3.42Å; W893-F932 AromaticContact CG-CD1 3.93Å; W893-F932 HydrophobicContact CG-CD1 3.93Å; W893-F932 HydrophobicContact CG-CE1 4.31Å; Y896-F932 HydrophobicContact CD1-CB 3.76Å; Y896-F932 AromaticContact CD1-CD2 3.56Å; Y896-F932 HydrophobicContact CD1-CD2 3.56Å; Y896-F932 HydrophobicContact CD1-CE2 4.4Å; Y896-F932 AromaticContact CD1-CG 3.86Å; Y896-F932 HydrophobicContact CD1-CG 3.86Å; Y896-F932 AromaticContact CD2-CD2 3.7Å; Y896-F932 HydrophobicContact CD2-CD2 3.7Å; Y896-F932 AromaticContact CD2-CE2 3.97Å; Y896-F932 HydrophobicContact CD2-CE2 3.97Å; Y896-F932 HydrophobicContact CE1-CB 3.85Å; Y896-F932 AromaticContact CE1-CD2 3.99Å; Y896-F932 HydrophobicContact CE1-CD2 3.99Å; Y896-F932 HydrophobicContact CE1-CG 4.32Å; Y896-F932 HydrophobicContact CE2-CD2 4.12Å; Y896-F932 HydrophobicContact CG-CB 4.47Å; Y896-F932 AromaticContact CG-CD2 3.39Å; Y896-F932 HydrophobicContact CG-CD2 3.39Å; Y896-F932 AromaticContact CG-CE2 3.8Å; Y896-F932 HydrophobicContact CG-CE2 3.8Å; Y896-F932 HydrophobicContact CG-CG 4.09Å; A928-F932 WeakPolarHBondContact O-CB 3.23Å; A928-F932 PolarHBondContact O-N 3.26Å; E930-F932 PolarHBondContact O-N 3.37Å; F932-K936 HydrophobicContact CE1-CG 4.38Å; F932-K936 WeakPolarHBondContact O-CG 3.4Å
933A87Confident81.4Confident1 Ų173.9 Ų73.91%0.00838%0.376CS..Hα-helixtrans-67.3-40.4177.600000112.1L888 W893 A929 E930 D931 L935 K936 I937 V940L888-A933 HydrophobicContact CD2-CB 4.38Å; W893-A933 HydrophobicContact CH2-CB 4.48Å; W893-A933 HydrophobicContact CZ2-CB 3.83Å; A929-A933 PolarHBondContact O-N 3.21Å; A929-A933 VanDerWaalsContact O-N 3.1Å; E930-A933 PolarHBondContact O-N 3.38Å; D931-A933 PolarHBondContact O-N 3.25Å; A933-L935 VanDerWaalsContact C-N 3.35Å; A933-L935 PolarHBondContact O-N 3.33Å; A933-K936 PolarHBondContact O-N 2.77Å; A933-I937 WeakPolarHBondContact O-CG1 3.35Å; A933-I937 PolarHBondContact O-N 2.93Å; A933-V940 HydrophobicContact CB-CG2 3.76Å
934K84.6Confident80.9Confident83 Ų8370.6 Ų70.636%0.36136%0.357SS..Hα-helixtrans-60.9-41.2177.8-76.1171.1-169.4156.40112.4E930 D931 K936 G938 V940E930-K934 WeakPolarHBondContact O-CB 3.48Å; E930-K934 VanDerWaalsContact O-CG 3.31Å; E930-K934 WeakPolarHBondContact O-CG 3.17Å; E930-K934 PolarHBondContact O-N 3.26Å; E930-K934 IonicContact OE2-NZ 3.4Å; E930-K934 PolarHBondContact OE2-NZ 2.94Å; D931-K934 PolarHBondContact O-N 3.05Å; D931-K934 IonicContact OD1-NZ 3.34Å; K934-K936 PolarHBondContact O-N 2.68Å; K934-G938 WeakPolarHBondContact CA-O 3.41Å; K934-G938 PolarHBondContact O-N 3.03Å; K934-V940 HydrophobicContact CG-CB 4.15Å; K934-V940 HydrophobicContact CG-CG2 3.68Å
935L83.2Confident80.1Confident148 Ų14870.6 Ų70.678%0.77536%0.356SS*.Hα-helixtrans-60.7-25.2175.1-75.9165.6000113D931 A933D931-L935 WeakPolarHBondContact O-CG 3.46Å; D931-L935 PolarHBondContact O-N 2.65Å; A933-L935 VanDerWaalsContact C-N 3.35Å; A933-L935 PolarHBondContact O-N 3.33Å
936K82Confident79.3Confident104 Ų10474.7 Ų74.745%0.45238%0.377SS..Hα-helixtrans-103.6-36.7-170.7-73.7-52.4-168.8170.30114.6Q887 L888 F932 A933 K934Q887-K936 WeakPolarHBondContact O-CB 3.37Å; Q887-K936 VanDerWaalsContact O-CD 3.31Å; Q887-K936 WeakPolarHBondContact O-CD 3.48Å; Q887-K936 WeakPolarHBondContact O-CG 3.37Å; L888-K936 HydrophobicContact CB-CB 4.22Å; L888-K936 HydrophobicContact CD1-CB 3.93Å; L888-K936 HydrophobicContact CD1-CG 4.06Å; F932-K936 HydrophobicContact CE1-CG 4.38Å; F932-K936 WeakPolarHBondContact O-CG 3.4Å; A933-K936 PolarHBondContact O-N 2.77Å; K934-K936 PolarHBondContact O-N 2.68Å
937I73.7Confident78.5Confident36 Ų3676.9 Ų76.919%0.18539%0.386CS..Hα-helixtrans-131.55.7-172.454.1164.3000115.2K858 A859 Y882 Q887 L888 A933K858-I937 HydrophobicContact CB-CD1 4.49Å; A859-I937 HydrophobicContact CB-CD1 4.09Å; Y882-I937 HydrophobicContact CD1-CG2 3.98Å; Q887-I937 HydrophobicContact CB-CG2 4.18Å; L888-I937 HydrophobicContact CB-CG2 3.83Å; L888-I937 HydrophobicContact CD2-CD1 3.86Å; L888-I937 HydrophobicContact CD2-CG1 4.27Å; A933-I937 WeakPolarHBondContact O-CG1 3.35Å; A933-I937 PolarHBondContact O-N 2.93Å
938G65.5Low77.5Confident30 Ų3074.4 Ų74.431%0.30938%0.378SS..SBendtrans83.1-165.1-176.400000113K934 V940K934-G938 WeakPolarHBondContact CA-O 3.41Å; K934-G938 PolarHBondContact O-N 3.03Å; G938-V940 PolarHBondContact O-N 3.45Å
939P58.4Low76.4Confident134 Ų13479.3 Ų79.387%0.8740%0.402SS*.  trans-57.6133.9-168.219.6-30.1000113.6
940V59.2Low75.1Confident42 Ų4285.2 Ų85.226%0.25543%0.431SS..  trans-110.1128.7-177.4-177.50000108.7A933 K934 G938A933-V940 HydrophobicContact CB-CG2 3.76Å; K934-V940 HydrophobicContact CG-CB 4.15Å; K934-V940 HydrophobicContact CG-CG2 3.68Å; G938-V940 PolarHBondContact O-N 3.45Å
941N57.6Low73.8Confident157 Ų15790.5 Ų90.584%0.8446%0.458SS*.  trans-86.5138.2173.1-76.9-17.8000110
942R54.1Low72.4Confident256 Ų25692.9 Ų92.997%0.96647%0.469SS*.  trans-710172.7-84.6-177.7179-169.5-1.9112.4E930E930-R942 WeakPolarHBondContact OE1-CD 3.43Å; E930-R942 WeakPolarHBondContact OE1-CG 3.49Å; E930-R942 IonicContact OE1-CZ 3.97Å; E930-R942 IonicContact OE1-NE 3.46Å; E930-R942 PolarHBondContact OE1-NE 2.55Å; E930-R942 IonicContact OE1-NH2 3.95Å; E930-R942 IonicContact OE2-CZ 3.71Å; E930-R942 IonicContact OE2-NE 3.49Å; E930-R942 PolarHBondContact OE2-NE 2.64Å; E930-R942 IonicContact OE2-NH2 2.71Å; E930-R942 PolarHBondContact OE2-NH2 2.95Å

Retrieved 942 of 942 residues in 916.5 ms (Link to these results)

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