A0A087YGP0_POEFO Loading...

General transcription and DNA repair factor IIH helicase subunit XPD

AlphaFold DB , UniProt , Accession A0A087YGP0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 760 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
1M86.9Confident89.5Confident16 Ų1647.4 Ų47.48%0.07926%0.263CS..  0145.90-174.1170.654.300112.2L3 F12 Y14 I17 L741 L744M1-L3 HydrophobicContact CE-CD1 4.11Å; M1-L3 HydrophobicContact CE-CD2 3.39Å; M1-L3 HydrophobicContact CE-CG 3.91Å; M1-L3 HydrophobicContact CG-CD2 4.22Å; M1-L3 HydrophobicContact CG-CG 4.46Å; M1-L3 HydrophobicContact SD-CD2 3.98Å; M1-F12 HydrophobicContact CE-CD1 4.45Å; M1-F12 PolarHBondContact N-O 3.41Å; M1-F12 PolarHBondContact O-N 2.99Å; M1-Y14 WeakPolarHBondContact CB-O 3.46Å; M1-Y14 PolarHBondContact N-O 3.46Å; M1-I17 HydrophobicContact CE-CB 3.48Å; M1-I17 VanDerWaalsContact CE-CB 3.48Å; M1-I17 HydrophobicContact CE-CG2 3.59Å; M1-L741 HydrophobicContact CG-CB 4.11Å; M1-L741 HydrophobicContact CG-CD1 3.95Å; M1-L741 HydrophobicContact CG-CG 4.2Å; M1-L741 HydrophobicContact SD-CB 3.91Å; M1-L741 HydrophobicContact SD-CG 4.44Å; M1-L744 HydrophobicContact CE-CD1 4.01Å; M1-L744 HydrophobicContact SD-CD1 3.96Å
2K89.5Confident89.7Confident95 Ų9543.5 Ų43.541%0.41324%0.241SC..EExtended strand (participates in β ladder)trans-102.3113.3175.5-65.2178.4-167.3178.80110.2L9 Y11 E97K2-L9 HydrophobicContact CB-CD1 4.15Å; K2-Y11 HydrophobicContact CD-CE1 4.08Å; K2-Y11 HydrophobicContact CG-CD1 4.01Å; K2-Y11 HydrophobicContact CG-CE1 4Å; K2-E97 WeakPolarHBondContact CE-OE2 3.48Å; K2-E97 IonicContact NZ-OE2 2.91Å; K2-E97 PolarHBondContact NZ-OE2 2.96Å
3L89.8Confident89.8Confident6 Ų641.8 Ų41.83%0.03123%0.234CC..EExtended strand (participates in β ladder)trans-106.1138.1-174.6-66.7172.6000110.9M1 I5 L9 V10 F12 I17 M25 L744M1-L3 HydrophobicContact CE-CD1 4.11Å; M1-L3 HydrophobicContact CE-CD2 3.39Å; M1-L3 HydrophobicContact CE-CG 3.91Å; M1-L3 HydrophobicContact CG-CD2 4.22Å; M1-L3 HydrophobicContact CG-CG 4.46Å; M1-L3 HydrophobicContact SD-CD2 3.98Å; L3-I5 HydrophobicContact CB-CG1 4.36Å; L3-L9 CarbonylContact O-C 3.54Å; L3-L9 WeakPolarHBondContact O-CA 3.16Å; L3-V10 HydrophobicContact CB-CB 4.23Å; L3-V10 PolarHBondContact N-O 3.05Å; L3-V10 PolarHBondContact O-N 3.34Å; L3-F12 HydrophobicContact CD1-CB 3.74Å; L3-F12 HydrophobicContact CD1-CG 4.16Å; L3-F12 HydrophobicContact CG-CB 4.37Å; L3-I17 HydrophobicContact CD1-CD1 3.55Å; L3-I17 HydrophobicContact CD2-CD1 4.48Å; L3-M25 HydrophobicContact CD1-CE 3.72Å; L3-L744 HydrophobicContact CD2-CD1 3.5Å
4N89.6Confident89.8Confident104 Ų10446.6 Ų46.656%0.55625%0.247SC*.EExtended strand (participates in β ladder)trans-102116.5169.4-175.44.4000109.4G7 Y22N4-G7 WeakPolarHBondContact OD1-CA 3.46Å; N4-G7 PolarHBondContact OD1-N 2.67Å; N4-Y22 PolarHBondContact O-OH 3.34Å
5I88.2Confident89.7Confident0 Ų051.3 Ų51.30%027%0.273CS..EExtended strand (participates in β ladder)trans-117.393.1-179.1-49.7-168.6000108.4L3 G7 L8 V10 Y22 M25 L26 K29L3-I5 HydrophobicContact CB-CG1 4.36Å; I5-G7 PolarHBondContact O-N 3.25Å; I5-G7 VanDerWaalsContact O-N 3.09Å; I5-L8 PolarHBondContact N-O 3.46Å; I5-L8 PolarHBondContact O-N 3.26Å; I5-V10 HydrophobicContact CB-CG2 4.47Å; I5-V10 HydrophobicContact CD1-CB 4.19Å; I5-V10 HydrophobicContact CD1-CG2 3.73Å; I5-V10 HydrophobicContact CG1-CG2 4Å; I5-Y22 HydrophobicContact CG1-CE2 4.26Å; I5-M25 HydrophobicContact CD1-CB 3.42Å; I5-M25 VanDerWaalsContact CD1-CB 3.42Å; I5-M25 HydrophobicContact CD1-CE 3.79Å; I5-M25 HydrophobicContact CD1-CG 4.07Å; I5-M25 HydrophobicContact CD1-SD 3.56Å; I5-M25 VanDerWaalsContact CD1-SD 3.56Å; I5-L26 HydrophobicContact CG2-CB 4.45Å; I5-K29 HydrophobicContact CG2-CD 4.14Å; I5-K29 WeakPolarHBondContact O-CD 3.35Å; I5-K29 PolarHBondContact O-NZ 3.24Å
6E86.3Confident89.6Confident95 Ų9553.3 Ų53.344%0.44428%0.276SS..THydrogen-bonded Turntrans47.838.1-177.7-67.5-178.9167.300113L26 K29 R30E6-L26 HydrophobicContact CG-CD1 4.35Å; E6-L26 HydrophobicContact CG-CG 4.49Å; E6-K29 HydrophobicContact CB-CD 4.31Å; E6-K29 VanDerWaalsContact CB-NZ 3.26Å; E6-K29 PolarHBondContact O-NZ 3.28Å; E6-R30 IonicContact OE1-CZ 2.77Å; E6-R30 IonicContact OE1-NE 3.32Å; E6-R30 IonicContact OE1-NH2 3.62Å; E6-R30 PolarHBondContact OE1-NH2 3.4Å
7G84.6Confident89.6Confident69 Ų6950.2 Ų50.271%0.71126%0.26SS*.THydrogen-bonded Turntrans98.6-1.6179.900000115.8N4 I5N4-G7 WeakPolarHBondContact OD1-CA 3.46Å; N4-G7 PolarHBondContact OD1-N 2.67Å; I5-G7 PolarHBondContact O-N 3.25Å; I5-G7 VanDerWaalsContact O-N 3.09Å
8L91.5Very high89.7Confident8 Ų849.6 Ų49.64%0.04225%0.254CS..EExtended strand (participates in β ladder)trans-98.7125.5170.3-178.563.5000110.2I5 V10 L55 A58 Y59 A62 F63I5-L8 PolarHBondContact N-O 3.46Å; I5-L8 PolarHBondContact O-N 3.26Å; L8-V10 HydrophobicContact CD2-CG2 4.23Å; L8-V10 HydrophobicContact CG-CG2 4.12Å; L8-V10 PolarHBondContact O-N 3.26Å; L8-L55 HydrophobicContact CD2-CD1 3.62Å; L8-A58 HydrophobicContact CD1-CB 4.46Å; L8-A58 HydrophobicContact CD2-CB 4.21Å; L8-A58 HydrophobicContact CG-CB 4.31Å; L8-Y59 HydrophobicContact CD2-CD2 3.97Å; L8-A62 HydrophobicContact CD1-CB 3.43Å; L8-A62 VanDerWaalsContact CD1-CB 3.43Å; L8-F63 HydrophobicContact CD1-CE2 4.37Å
9L92.9Very high89.6Confident86 Ų8647.2 Ų47.245%0.4524%0.242SC..EExtended strand (participates in β ladder)trans-81.6112.7174.1-173.769000110.1K2 L3 Y11K2-L9 HydrophobicContact CB-CD1 4.15Å; L3-L9 CarbonylContact O-C 3.54Å; L3-L9 WeakPolarHBondContact O-CA 3.16Å; L9-Y11 HydrophobicContact CD2-CE2 3.95Å; L9-Y11 HydrophobicContact CG-CE2 4.23Å
10V93.3Very high89.6Confident0 Ų044.9 Ų44.90%023%0.23CC..EExtended strand (participates in β ladder)trans-108.3123.1179.5-178.50000109.8L3 I5 L8 F12 M25 L55 A58L3-V10 HydrophobicContact CB-CB 4.23Å; L3-V10 PolarHBondContact N-O 3.05Å; L3-V10 PolarHBondContact O-N 3.34Å; I5-V10 HydrophobicContact CB-CG2 4.47Å; I5-V10 HydrophobicContact CD1-CB 4.19Å; I5-V10 HydrophobicContact CD1-CG2 3.73Å; I5-V10 HydrophobicContact CG1-CG2 4Å; L8-V10 HydrophobicContact CD2-CG2 4.23Å; L8-V10 HydrophobicContact CG-CG2 4.12Å; L8-V10 PolarHBondContact O-N 3.26Å; V10-F12 PolarHBondContact O-N 2.71Å; V10-M25 HydrophobicContact CG1-SD 4.29Å; V10-L55 HydrophobicContact CG2-CD1 3.87Å; V10-A58 HydrophobicContact CB-CB 4.26Å; V10-A58 HydrophobicContact CG1-CB 4.32Å; V10-A58 HydrophobicContact CG2-CB 3.82Å
11Y91.9Very high89.7Confident42 Ų4243.2 Ų43.217%0.16522%0.221CC..EExtended strand (participates in β ladder)trans-87.2110.8171.6-62.8-100.6000108.9K2 L9 L90 F93 Y94 E97K2-Y11 HydrophobicContact CD-CE1 4.08Å; K2-Y11 HydrophobicContact CG-CD1 4.01Å; K2-Y11 HydrophobicContact CG-CE1 4Å; L9-Y11 HydrophobicContact CD2-CE2 3.95Å; L9-Y11 HydrophobicContact CG-CE2 4.23Å; Y11-L90 WeakPolarHBondContact O-CD1 3.46Å; Y11-F93 HydrophobicContact CD1-CE1 4.39Å; Y11-Y94 AromaticContact CD2-CD1 3.94Å; Y11-Y94 HydrophobicContact CD2-CD1 3.94Å; Y11-Y94 AromaticContact CD2-CE1 3.16Å; Y11-Y94 HydrophobicContact CD2-CE1 3.16Å; Y11-Y94 AromaticContact CD2-CZ 3.61Å; Y11-Y94 HydrophobicContact CE2-CD1 4.49Å; Y11-Y94 AromaticContact CE2-CE1 3.87Å; Y11-Y94 HydrophobicContact CE2-CE1 3.87Å; Y11-Y94 HydrophobicContact CG-CD1 4.1Å; Y11-Y94 AromaticContact CG-CE1 3.63Å; Y11-Y94 HydrophobicContact CG-CE1 3.63Å; Y11-Y94 AromaticContact CG-CZ 3.92Å; Y11-E97 HydrophobicContact CD1-CB 4.1Å; Y11-E97 HydrophobicContact CD1-CG 4.27Å; Y11-E97 HydrophobicContact CE1-CB 4.04Å
12F92.6Very high89.9Confident1 Ų143.5 Ų43.50%0.00422%0.222CC..  trans-96130.4177-164.8-111.6000109.3M1 L3 V10 Y14 Y16 I17 I50 F93M1-F12 HydrophobicContact CE-CD1 4.45Å; M1-F12 PolarHBondContact N-O 3.41Å; M1-F12 PolarHBondContact O-N 2.99Å; L3-F12 HydrophobicContact CD1-CB 3.74Å; L3-F12 HydrophobicContact CD1-CG 4.16Å; L3-F12 HydrophobicContact CG-CB 4.37Å; V10-F12 PolarHBondContact O-N 2.71Å; F12-Y14 HydrophobicContact CD1-CD2 4.36Å; F12-Y14 AromaticContact CE1-CD2 3.79Å; F12-Y14 HydrophobicContact CE1-CD2 3.79Å; F12-Y14 HydrophobicContact CE1-CG 4.25Å; F12-Y14 HydrophobicContact CZ-CD2 4.1Å; F12-Y14 PolarHBondContact O-N 3.41Å; F12-Y16 WeakPolarHBondContact CE1-O 3.26Å; F12-I17 HydrophobicContact CE1-CB 4.42Å; F12-I17 HydrophobicContact CE1-CG1 4.29Å; F12-I17 HydrophobicContact CZ-CG1 4.47Å; F12-I50 HydrophobicContact CE2-CG1 4.35Å; F12-I50 HydrophobicContact CE2-CG2 4.04Å; F12-I50 HydrophobicContact CZ-CG2 4.01Å; F12-F93 VanDerWaalsContact O-CE1 3.27Å; F12-F93 WeakPolarHBondContact O-CE1 3.48Å
13P90.6Very high89.9Confident22 Ų2239.2 Ų39.214%0.14320%0.204CC..SBendtrans-79.29.7-168.930.7-31.8000114.4I50 L90 F93P13-I50 HydrophobicContact CG-CD1 3.48Å; P13-I50 VanDerWaalsContact CG-CD1 3.48Å; P13-I50 HydrophobicContact CG-CG1 3.54Å; P13-L90 HydrophobicContact CB-CD1 4.22Å; P13-L90 HydrophobicContact CG-CD1 3.85Å; P13-F93 HydrophobicContact CB-CB 3.9Å; P13-F93 HydrophobicContact CB-CD1 4.37Å; P13-F93 HydrophobicContact CB-CG 4.06Å
14Y90.2Very high90.1Very high108 Ų10838.9 Ų38.942%0.42420%0.202SC..SBendtrans-122.1156.2174.1-61.3-80.9000110.1M1 F12 Y16 I50M1-Y14 WeakPolarHBondContact CB-O 3.46Å; M1-Y14 PolarHBondContact N-O 3.46Å; F12-Y14 HydrophobicContact CD1-CD2 4.36Å; F12-Y14 AromaticContact CE1-CD2 3.79Å; F12-Y14 HydrophobicContact CE1-CD2 3.79Å; F12-Y14 HydrophobicContact CE1-CG 4.25Å; F12-Y14 HydrophobicContact CZ-CD2 4.1Å; F12-Y14 PolarHBondContact O-N 3.41Å; Y14-Y16 VanDerWaalsContact C-N 3.26Å; Y14-I50 HydrophobicContact CD2-CG1 4.5Å; Y14-I50 HydrophobicContact CE2-CG1 4.02Å; Y14-I50 HydrophobicContact CE2-CG2 4.34Å
15D87.2Confident90.3Very high117 Ų11734 Ų3463%0.62618%0.176SC*.SBendtrans-78.1-15.8179.3-62.3-34.2000113
16Y88.8Confident90.5Very high84 Ų8435.3 Ų35.333%0.32918%0.183SC..  trans-128.4155.7-177.9-57.2-86000110.9F12 Y14 L734 L738 L739 T740F12-Y16 WeakPolarHBondContact CE1-O 3.26Å; Y14-Y16 VanDerWaalsContact C-N 3.26Å; Y16-L734 HydrophobicContact CD1-CD2 3.86Å; Y16-L734 HydrophobicContact CE1-CD2 3.61Å; Y16-L738 HydrophobicContact CD1-CD2 3.68Å; Y16-L738 HydrophobicContact CD1-CG 3.98Å; Y16-L738 HydrophobicContact CD2-CD2 4.31Å; Y16-L738 HydrophobicContact CE1-CD2 4.33Å; Y16-L738 HydrophobicContact CG-CD1 4.32Å; Y16-L738 HydrophobicContact CG-CD2 3.67Å; Y16-L738 HydrophobicContact CG-CG 3.98Å; Y16-L739 WeakPolarHBondContact CA-O 3.4Å; Y16-T740 HydrophobicContact CD1-CG2 4Å; Y16-T740 HydrophobicContact CE1-CG2 3.73Å
17I90.1Very high90.8Very high1 Ų131 Ų311%0.00516%0.163CC..BIsolated β-bridgetrans-134155176.5-164.9175.7000110.8M1 L3 F12 Q21 M25 L739 L744M1-I17 HydrophobicContact CE-CB 3.48Å; M1-I17 VanDerWaalsContact CE-CB 3.48Å; M1-I17 HydrophobicContact CE-CG2 3.59Å; L3-I17 HydrophobicContact CD1-CD1 3.55Å; L3-I17 HydrophobicContact CD2-CD1 4.48Å; F12-I17 HydrophobicContact CE1-CB 4.42Å; F12-I17 HydrophobicContact CE1-CG1 4.29Å; F12-I17 HydrophobicContact CZ-CG1 4.47Å; I17-Q21 HydrophobicContact CD1-CB 3.87Å; I17-Q21 HydrophobicContact CG1-CB 3.62Å; I17-Q21 HydrophobicContact CG1-CG 4.45Å; I17-M25 HydrophobicContact CD1-CE 3.3Å; I17-L739 HydrophobicContact CG2-CB 4.01Å; I17-L739 PolarHBondContact N-O 3.08Å; I17-L739 VanDerWaalsContact N-O 3.16Å; I17-L739 PolarHBondContact O-N 3.2Å; I17-L744 HydrophobicContact CG2-CD1 3.55Å; I17-L744 HydrophobicContact CG2-CD2 4.15Å; I17-L744 HydrophobicContact CG2-CG 4.32Å
18Y90.1Very high91.2Very high39 Ų3927.8 Ų27.815%0.15313%0.129CC..  trans-85.1146.1167-57.2-36.6000111.5E20 Q21 Y22 K671 S737 L738Y18-E20 PolarHBondContact O-N 3.18Å; Y18-Q21 HydrophobicContact CD2-CG 4.21Å; Y18-Q21 WeakPolarHBondContact O-CB 3Å; Y18-Q21 PolarHBondContact O-N 3.49Å; Y18-Y22 PolarHBondContact O-N 3.12Å; Y18-K671 HydrophobicContact CD1-CD 3.86Å; Y18-K671 HydrophobicContact CE1-CD 3.68Å; Y18-K671 HydrophobicContact CE1-CG 4.05Å; Y18-K671 HydrophobicContact CE2-CD 4.4Å; Y18-K671 HydrophobicContact CE2-CG 4.23Å; Y18-K671 HydrophobicContact CG-CD 4.27Å; Y18-S737 WeakPolarHBondContact CD1-O 3.39Å; Y18-L738 HydrophobicContact CD1-CD1 3.74Å; Y18-L738 HydrophobicContact CE1-CD1 3.49Å; Y18-L738 VanDerWaalsContact CE1-CD1 3.49Å
19P88.4Confident91.4Very high3 Ų328 Ų282%0.01913%0.13CC..Hα-helixtrans-54.7-40.8174.6-19.326.9000112Q21 Y22 S23 L736 S737 L739 I753 M756P19-Q21 VanDerWaalsContact C-N 3.32Å; P19-Q21 PolarHBondContact O-N 3.19Å; P19-Y22 PolarHBondContact O-N 2.89Å; P19-S23 PolarHBondContact O-N 2.97Å; P19-S23 VanDerWaalsContact O-N 3.09Å; P19-S23 PolarHBondContact O-OG 3.47Å; P19-L736 WeakPolarHBondContact CG-O 3.49Å; P19-S737 VanDerWaalsContact CD-O 3.29Å; P19-S737 WeakPolarHBondContact CD-O 3.11Å; P19-L739 HydrophobicContact CB-CD1 4.07Å; P19-L739 HydrophobicContact CG-CD1 3.82Å; P19-L739 HydrophobicContact CG-CD2 4.38Å; P19-L739 HydrophobicContact CG-CG 3.97Å; P19-I753 HydrophobicContact CB-CG1 4.17Å; P19-M756 HydrophobicContact CB-CE 3.72Å; P19-M756 HydrophobicContact CB-SD 3.77Å
20E89.3Confident91.4Very high1 Ų128.4 Ų28.41%0.00513%0.125CC..Hα-helixtrans-60.9-39177.5-4994.4-142.200112.5Y18 Y22 S23 Y24 M42 T482 T484 K671 M756Y18-E20 PolarHBondContact O-N 3.18Å; E20-Y22 VanDerWaalsContact C-N 3.28Å; E20-Y22 PolarHBondContact O-N 3.35Å; E20-S23 PolarHBondContact O-N 3.19Å; E20-Y24 VanDerWaalsContact O-CB 3.29Å; E20-Y24 WeakPolarHBondContact O-CB 2.97Å; E20-Y24 PolarHBondContact O-N 3.39Å; E20-M42 HydrophobicContact CB-CE 4.04Å; E20-M42 HydrophobicContact CB-SD 4.02Å; E20-M42 WeakPolarHBondContact O-CE 3.38Å; E20-T482 WeakPolarHBondContact CG-O 3.25Å; E20-T484 WeakPolarHBondContact OE1-CA 3.47Å; E20-T484 WeakPolarHBondContact OE1-CB 3.28Å; E20-T484 PolarHBondContact OE1-N 2.68Å; E20-K671 IonicContact OE1-NZ 3.94Å; E20-K671 PolarHBondContact OE1-NZ 2.87Å; E20-K671 WeakPolarHBondContact OE2-CE 3.49Å; E20-K671 IonicContact OE2-NZ 2.61Å; E20-K671 PolarHBondContact OE2-NZ 3.25Å; E20-M756 HydrophobicContact CG-CE 4.05Å
21Q91.8Very high91.4Very high10 Ų1028.4 Ų28.45%0.04713%0.125CC..Hα-helixtrans-62.8-38.1179.3-72.5170.5-30.400110.9I17 Y18 P19 M25 M42 T46I17-Q21 HydrophobicContact CD1-CB 3.87Å; I17-Q21 HydrophobicContact CG1-CB 3.62Å; I17-Q21 HydrophobicContact CG1-CG 4.45Å; Y18-Q21 HydrophobicContact CD2-CG 4.21Å; Y18-Q21 WeakPolarHBondContact O-CB 3Å; Y18-Q21 PolarHBondContact O-N 3.49Å; P19-Q21 VanDerWaalsContact C-N 3.32Å; P19-Q21 PolarHBondContact O-N 3.19Å; Q21-M25 WeakPolarHBondContact O-CE 3.41Å; Q21-M25 WeakPolarHBondContact O-CG 3.4Å; Q21-M25 PolarHBondContact O-N 2.98Å; Q21-M42 HydrophobicContact CG-CE 4.41Å; Q21-T46 VanDerWaalsContact CD-O 3.23Å; Q21-T46 WeakPolarHBondContact CG-O 3.45Å; Q21-T46 PolarHBondContact NE2-O 3.46Å
22Y90.9Very high91.5Very high22 Ų2226.5 Ų26.59%0.08612%0.118CC..Hα-helixtrans-66.5-48.6175-170.4-82.9000111.2N4 I5 Y18 P19 E20 Y24 M25 L26 L744 L750 I753N4-Y22 PolarHBondContact O-OH 3.34Å; I5-Y22 HydrophobicContact CG1-CE2 4.26Å; Y18-Y22 PolarHBondContact O-N 3.12Å; P19-Y22 PolarHBondContact O-N 2.89Å; E20-Y22 VanDerWaalsContact C-N 3.28Å; E20-Y22 PolarHBondContact O-N 3.35Å; Y22-Y24 VanDerWaalsContact C-N 3.28Å; Y22-Y24 PolarHBondContact O-N 3.11Å; Y22-M25 PolarHBondContact O-N 3.3Å; Y22-L26 HydrophobicContact CE1-CD1 3.99Å; Y22-L26 WeakPolarHBondContact O-CB 3.46Å; Y22-L26 PolarHBondContact O-N 3.31Å; Y22-L744 HydrophobicContact CD2-CD2 4.18Å; Y22-L750 HydrophobicContact CE1-CD2 3.93Å; Y22-I753 HydrophobicContact CD1-CD1 4.44Å; Y22-I753 HydrophobicContact CD1-CG2 3.72Å; Y22-I753 HydrophobicContact CG-CG2 4.47Å
23S90.6Very high91.5Very high5 Ų529.9 Ų29.94%0.03514%0.136CC..Hα-helixtrans-56.5-42.6175.3-57.90000112.1P19 E20 L26 E27 I753P19-S23 PolarHBondContact O-N 2.97Å; P19-S23 VanDerWaalsContact O-N 3.09Å; P19-S23 PolarHBondContact O-OG 3.47Å; E20-S23 PolarHBondContact O-N 3.19Å; S23-L26 PolarHBondContact O-N 2.93Å; S23-E27 PolarHBondContact O-N 2.73Å; S23-I753 WeakPolarHBondContact OG-CG2 3.43Å; S23-I753 PolarHBondContact OG-O 3.19Å; S23-I753 VanDerWaalsContact OG-O 3.11Å
24Y92.9Very high91.6Very high0 Ų031.5 Ų31.50%015%0.151CC..Hα-helixtrans-62-46.5177.7-179.2-89.3000112E20 Y22 L26 E27 L28 L40 M42 L52 T457 F481E20-Y24 VanDerWaalsContact O-CB 3.29Å; E20-Y24 WeakPolarHBondContact O-CB 2.97Å; E20-Y24 PolarHBondContact O-N 3.39Å; Y22-Y24 VanDerWaalsContact C-N 3.28Å; Y22-Y24 PolarHBondContact O-N 3.11Å; Y24-L26 VanDerWaalsContact C-N 3.28Å; Y24-L26 PolarHBondContact O-N 3.05Å; Y24-E27 PolarHBondContact O-N 3.31Å; Y24-L28 HydrophobicContact CE1-CD1 4.29Å; Y24-L28 VanDerWaalsContact O-CB 3.26Å; Y24-L28 WeakPolarHBondContact O-CB 3.44Å; Y24-L28 PolarHBondContact O-N 3.27Å; Y24-L40 HydrophobicContact CD2-CB 4.41Å; Y24-L40 HydrophobicContact CD2-CD1 4.32Å; Y24-L40 HydrophobicContact CE2-CB 3.73Å; Y24-L40 HydrophobicContact CE2-CD1 3.74Å; Y24-L40 HydrophobicContact CE2-CG 4.37Å; Y24-M42 HydrophobicContact CD2-CB 3.92Å; Y24-M42 HydrophobicContact CD2-CE 3.92Å; Y24-M42 HydrophobicContact CD2-CG 4.08Å; Y24-M42 HydrophobicContact CD2-SD 4.07Å; Y24-M42 HydrophobicContact CE2-CB 4.01Å; Y24-M42 HydrophobicContact CE2-CG 4.47Å; Y24-M42 HydrophobicContact CG-CE 3.7Å; Y24-M42 HydrophobicContact CG-SD 4.43Å; Y24-L52 HydrophobicContact CE1-CB 4.08Å; Y24-L52 HydrophobicContact CE1-CD1 4.45Å; Y24-L52 WeakPolarHBondContact OH-CD1 3.35Å; Y24-T457 PolarHBondContact OH-OG1 3.34Å; Y24-F481 AromaticContact CD2-CD2 3.89Å; Y24-F481 HydrophobicContact CD2-CD2 3.89Å; Y24-F481 AromaticContact CD2-CE2 3.47Å; Y24-F481 HydrophobicContact CD2-CE2 3.47Å; Y24-F481 VanDerWaalsContact CD2-CE2 3.47Å; Y24-F481 HydrophobicContact CD2-CZ 4.22Å; Y24-F481 HydrophobicContact CE2-CE2 4.3Å; Y24-F481 HydrophobicContact CG-CE2 4.25Å
25M93.6Very high91.6Very high0 Ų031.4 Ų31.40%015%0.153CC..Hα-helixtrans-64.4-35.5176.8-74.2-173.8-72.400111.9L3 I5 V10 I17 Q21 Y22 K29 L55L3-M25 HydrophobicContact CD1-CE 3.72Å; I5-M25 HydrophobicContact CD1-CB 3.42Å; I5-M25 VanDerWaalsContact CD1-CB 3.42Å; I5-M25 HydrophobicContact CD1-CE 3.79Å; I5-M25 HydrophobicContact CD1-CG 4.07Å; I5-M25 HydrophobicContact CD1-SD 3.56Å; I5-M25 VanDerWaalsContact CD1-SD 3.56Å; V10-M25 HydrophobicContact CG1-SD 4.29Å; I17-M25 HydrophobicContact CD1-CE 3.3Å; Q21-M25 WeakPolarHBondContact O-CE 3.41Å; Q21-M25 WeakPolarHBondContact O-CG 3.4Å; Q21-M25 PolarHBondContact O-N 2.98Å; Y22-M25 PolarHBondContact O-N 3.3Å; M25-K29 VanDerWaalsContact O-CB 3.31Å; M25-K29 WeakPolarHBondContact O-CB 3.3Å; M25-K29 PolarHBondContact O-N 3.31Å; M25-L55 HydrophobicContact CB-CD2 3.78Å; M25-L55 HydrophobicContact CG-CB 4.09Å; M25-L55 HydrophobicContact CG-CD2 4.08Å; M25-L55 WeakPolarHBondContact O-CD2 3.36Å; M25-L55 HydrophobicContact SD-CB 4.31Å
26L92.6Very high91.8Very high29 Ų2926.3 Ų26.315%0.15213%0.129CC..Hα-helixtrans-65.2-48.3177.4-169.3150.1000111.6I5 E6 Y22 S23 Y24 K29 R30I5-L26 HydrophobicContact CG2-CB 4.45Å; E6-L26 HydrophobicContact CG-CD1 4.35Å; E6-L26 HydrophobicContact CG-CG 4.49Å; Y22-L26 HydrophobicContact CE1-CD1 3.99Å; Y22-L26 WeakPolarHBondContact O-CB 3.46Å; Y22-L26 PolarHBondContact O-N 3.31Å; S23-L26 PolarHBondContact O-N 2.93Å; Y24-L26 VanDerWaalsContact C-N 3.28Å; Y24-L26 PolarHBondContact O-N 3.05Å; L26-K29 PolarHBondContact O-N 3.47Å; L26-R30 VanDerWaalsContact CD2-NE 3.28Å; L26-R30 WeakPolarHBondContact O-CG 3.4Å; L26-R30 PolarHBondContact O-N 3.15Å; L26-R30 VanDerWaalsContact O-N 3.08Å
27E92.6Very high92.1Very high5 Ų523.8 Ų23.82%0.02312%0.12CC..Hα-helixtrans-66.7-39.5175.5-67.8-58.9128.900112.5S23 Y24 K29 R30 T31 L40 A479 F481 Q759S23-E27 PolarHBondContact O-N 2.73Å; Y24-E27 PolarHBondContact O-N 3.31Å; E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 3.34Å; E27-R30 WeakPolarHBondContact O-CB 3.3Å; E27-R30 PolarHBondContact O-N 2.88Å; E27-R30 IonicContact OE1-CZ 3.6Å; E27-R30 IonicContact OE1-NE 3.35Å; E27-R30 IonicContact OE1-NH1 2.71Å; E27-R30 PolarHBondContact OE1-NH1 3.08Å; E27-T31 PolarHBondContact O-N 3.41Å; E27-T31 VanDerWaalsContact O-N 3.08Å; E27-L40 HydrophobicContact CB-CD2 4.17Å; E27-A479 HydrophobicContact CG-CB 4.18Å; E27-F481 HydrophobicContact CB-CZ 3.96Å; E27-F481 HydrophobicContact CG-CE1 4.08Å; E27-F481 HydrophobicContact CG-CZ 3.86Å; E27-Q759 PolarHBondContact OE1-NE2 3.02Å; E27-Q759 PolarHBondContact OE2-NE2 3.35Å
28L94.1Very high92.3Very high0 Ų023.8 Ų23.80%012%0.12CC..Hα-helixtrans-60.6-43.1174.6-168.392.5000110.2Y24 R30 T31 L32 L40 L52 L55 I56 V455Y24-L28 HydrophobicContact CE1-CD1 4.29Å; Y24-L28 VanDerWaalsContact O-CB 3.26Å; Y24-L28 WeakPolarHBondContact O-CB 3.44Å; Y24-L28 PolarHBondContact O-N 3.27Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 3.24Å; L28-T31 PolarHBondContact O-N 3.29Å; L28-T31 VanDerWaalsContact O-N 3.15Å; L28-T31 PolarHBondContact O-OG1 3.36Å; L28-L32 HydrophobicContact CD2-CD1 4.5Å; L28-L32 WeakPolarHBondContact O-CG 3.34Å; L28-L32 PolarHBondContact O-N 3.32Å; L28-L32 VanDerWaalsContact O-N 3.15Å; L28-L40 HydrophobicContact CB-CD1 4.2Å; L28-L40 HydrophobicContact CD1-CD1 3.6Å; L28-L52 HydrophobicContact CD1-CD1 4.19Å; L28-L52 HydrophobicContact CD2-CG 4.36Å; L28-L55 HydrophobicContact CB-CD2 3.67Å; L28-L55 HydrophobicContact CD2-CB 4.18Å; L28-L55 HydrophobicContact CD2-CD2 3.38Å; L28-L55 HydrophobicContact CD2-CG 3.93Å; L28-L55 HydrophobicContact CG-CD2 4Å; L28-I56 HydrophobicContact CD2-CD1 4.42Å; L28-I56 HydrophobicContact CD2-CG1 4.02Å; L28-V455 HydrophobicContact CD1-CB 4.44Å; L28-V455 HydrophobicContact CD1-CG1 3.73Å; L28-V455 HydrophobicContact CD1-CG2 4.05Å
29K94.3Very high92.5Very high13 Ų1321.9 Ų21.96%0.05711%0.112CC..Hα-helixtrans-60.6-45177-170.5-168.2171.2-164.30111.4I5 E6 M25 L26 E27 T31 L32 D33 L55I5-K29 HydrophobicContact CG2-CD 4.14Å; I5-K29 WeakPolarHBondContact O-CD 3.35Å; I5-K29 PolarHBondContact O-NZ 3.24Å; E6-K29 HydrophobicContact CB-CD 4.31Å; E6-K29 VanDerWaalsContact CB-NZ 3.26Å; E6-K29 PolarHBondContact O-NZ 3.28Å; M25-K29 VanDerWaalsContact O-CB 3.31Å; M25-K29 WeakPolarHBondContact O-CB 3.3Å; M25-K29 PolarHBondContact O-N 3.31Å; L26-K29 PolarHBondContact O-N 3.47Å; E27-K29 VanDerWaalsContact C-N 3.3Å; E27-K29 PolarHBondContact O-N 3.34Å; K29-T31 VanDerWaalsContact C-N 3.25Å; K29-T31 PolarHBondContact O-N 2.92Å; K29-L32 PolarHBondContact O-N 3.19Å; K29-D33 WeakPolarHBondContact CE-OD2 3.46Å; K29-D33 PolarHBondContact O-N 3.14Å; K29-L55 HydrophobicContact CB-CD2 4.26Å
30R93.3Very high92.7Very high95 Ų9521.8 Ų21.836%0.35811%0.111SC..Hα-helixtrans-55.4-38.9174.9-69.7171.7177-178.6-6.3112.5E6 L26 E27 L28 A34 T477E6-R30 IonicContact OE1-CZ 2.77Å; E6-R30 IonicContact OE1-NE 3.32Å; E6-R30 IonicContact OE1-NH2 3.62Å; E6-R30 PolarHBondContact OE1-NH2 3.4Å; L26-R30 VanDerWaalsContact CD2-NE 3.28Å; L26-R30 WeakPolarHBondContact O-CG 3.4Å; L26-R30 PolarHBondContact O-N 3.15Å; L26-R30 VanDerWaalsContact O-N 3.08Å; E27-R30 WeakPolarHBondContact O-CB 3.3Å; E27-R30 PolarHBondContact O-N 2.88Å; E27-R30 IonicContact OE1-CZ 3.6Å; E27-R30 IonicContact OE1-NE 3.35Å; E27-R30 IonicContact OE1-NH1 2.71Å; E27-R30 PolarHBondContact OE1-NH1 3.08Å; L28-R30 VanDerWaalsContact C-N 3.35Å; L28-R30 PolarHBondContact O-N 3.24Å; R30-A34 VanDerWaalsContact O-CB 3.3Å; R30-A34 WeakPolarHBondContact O-CB 3.46Å; R30-A34 PolarHBondContact O-N 2.76Å; R30-A34 VanDerWaalsContact O-N 3.12Å; R30-T477 HydrophobicContact CB-CG2 4.42Å
31T93.5Very high92.8Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-64.6-40.7174.764.50000113.3E27 L28 K29 K35 G36 T477E27-T31 PolarHBondContact O-N 3.41Å; E27-T31 VanDerWaalsContact O-N 3.08Å; L28-T31 PolarHBondContact O-N 3.29Å; L28-T31 VanDerWaalsContact O-N 3.15Å; L28-T31 PolarHBondContact O-OG1 3.36Å; K29-T31 VanDerWaalsContact C-N 3.25Å; K29-T31 PolarHBondContact O-N 2.92Å; T31-K35 PolarHBondContact O-N 2.98Å; T31-G36 PolarHBondContact O-N 2.85Å; T31-T477 HydrophobicContact CG2-CG2 3.5Å; T31-T477 VanDerWaalsContact CG2-CG2 3.5Å; T31-T477 WeakPolarHBondContact CG2-OG1 3.41Å
32L93.2Very high92.7Very high2 Ų221.4 Ų21.41%0.0111%0.11CC..Hα-helixtrans-70.9-43.9-178.3-63.5179.8000111.1L28 K29 A34 K35 I56 Y59 V230L28-L32 HydrophobicContact CD2-CD1 4.5Å; L28-L32 WeakPolarHBondContact O-CG 3.34Å; L28-L32 PolarHBondContact O-N 3.32Å; L28-L32 VanDerWaalsContact O-N 3.15Å; K29-L32 PolarHBondContact O-N 3.19Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 2.94Å; L32-K35 PolarHBondContact O-N 2.67Å; L32-K35 VanDerWaalsContact O-N 3.12Å; L32-I56 HydrophobicContact CD1-CG1 4.44Å; L32-Y59 HydrophobicContact CB-CD2 4.34Å; L32-Y59 HydrophobicContact CB-CE2 3.95Å; L32-Y59 HydrophobicContact CD1-CD2 4.04Å; L32-Y59 HydrophobicContact CD1-CE2 4.49Å; L32-Y59 HydrophobicContact CD1-CG 4.08Å; L32-V230 HydrophobicContact CD2-CG1 3.89Å; L32-V230 HydrophobicContact CD2-CG2 3.84Å
33D92.8Very high92.5Very high71 Ų7120.4 Ų20.438%0.3811%0.106SC..Hα-helixtrans-61.3-42.7178-70-17.6000111.1K29 K35 Y59K29-D33 WeakPolarHBondContact CE-OD2 3.46Å; K29-D33 PolarHBondContact O-N 3.14Å; D33-K35 PolarHBondContact O-N 2.91Å; D33-Y59 VanDerWaalsContact OD1-CE2 3.31Å; D33-Y59 WeakPolarHBondContact OD1-CE2 3.49Å; D33-Y59 PolarHBondContact OD1-OH 3.23Å; D33-Y59 VanDerWaalsContact OD1-OH 3.12Å
34A92.5Very high92Very high57 Ų5721 Ų2147%0.47111%0.11SC..THydrogen-bonded Turntrans-75-8.8178.200000114.2R30 L32 G36 V476R30-A34 VanDerWaalsContact O-CB 3.3Å; R30-A34 WeakPolarHBondContact O-CB 3.46Å; R30-A34 PolarHBondContact O-N 2.76Å; R30-A34 VanDerWaalsContact O-N 3.12Å; L32-A34 VanDerWaalsContact C-N 3.34Å; L32-A34 PolarHBondContact O-N 2.94Å; A34-G36 VanDerWaalsContact C-N 3.26Å; A34-G36 PolarHBondContact O-N 3.09Å; A34-V476 HydrophobicContact CB-CG1 3.84Å; A34-V476 HydrophobicContact CB-CG2 4.43Å
35K91.9Very high91.2Very high105 Ų10522 Ų2246%0.45712%0.12SC..THydrogen-bonded Turntrans54.141.3-176.6-50.7-170.7173.1-174.40112.8T31 L32 D33 D66 Q452T31-K35 PolarHBondContact O-N 2.98Å; L32-K35 PolarHBondContact O-N 2.67Å; L32-K35 VanDerWaalsContact O-N 3.12Å; D33-K35 PolarHBondContact O-N 2.91Å; K35-D66 IonicContact NZ-OD1 3.57Å; K35-D66 PolarHBondContact NZ-OD1 3.24Å; K35-Q452 HydrophobicContact CB-CG 3.96Å; K35-Q452 HydrophobicContact CG-CG 4.37Å
36G90.9Very high90.5Very high11 Ų1122 Ų2211%0.11312%0.12CC..  trans-124.6178-179.400000113.4T31 A34 S453T31-G36 PolarHBondContact O-N 2.85Å; A34-G36 VanDerWaalsContact C-N 3.26Å; A34-G36 PolarHBondContact O-N 3.09Å; G36-S453 WeakPolarHBondContact O-CB 3.4Å
37H94.6Very high90Very high31 Ų3121.9 Ų21.914%0.14413%0.126CC..  trans-83.8153176.9-48.5-51.4000110.8F448 V454 F473 P475 V476H37-F448 AromaticContact CD2-CD1 3.82Å; H37-F448 AromaticContact CE1-CD1 3.8Å; H37-F448 AromaticContact CG-CD1 3.9Å; H37-F448 AromaticContact ND1-CD1 3.86Å; H37-F448 AromaticContact NE2-CD1 3.75Å; H37-V454 CarbonylContact C-O 3.6Å; H37-V454 VanDerWaalsContact CA-O 3.27Å; H37-V454 WeakPolarHBondContact CA-O 3.32Å; H37-V454 WeakPolarHBondContact CB-O 3.32Å; H37-V454 PolarHBondContact ND1-N 3.09Å; H37-F473 HydrophobicContact CB-CD2 4.04Å; H37-F473 HydrophobicContact CB-CE2 4.26Å; H37-P475 CarbonylContact O-C 3.54Å; H37-P475 VanDerWaalsContact O-CA 3.32Å; H37-P475 WeakPolarHBondContact O-CA 3.24Å; H37-V476 PolarHBondContact O-N 3.01Å
38G93.7Very high89.9Confident0 Ų022.3 Ų22.30%013%0.128CC..EExtended strand (participates in β ladder)trans-137.4144.1179.800000112V454 V455 I456G38-V454 PolarHBondContact N-O 3.21Å; G38-V455 WeakPolarHBondContact O-CA 3.1Å; G38-I456 PolarHBondContact O-N 3.42Å
39V94.7Very high89.7Confident0 Ų023.4 Ų23.40%014%0.135CC..EExtended strand (participates in β ladder)trans-117.8116.8169.7-168.20000108.1I456 L461 L464 F473 P475 T477 M478 A479V39-I456 WeakPolarHBondContact CA-O 3.29Å; V39-I456 HydrophobicContact CG1-CB 4.44Å; V39-I456 HydrophobicContact CG1-CG2 4.41Å; V39-L461 HydrophobicContact CG1-CD1 4.01Å; V39-L464 HydrophobicContact CB-CD2 4.48Å; V39-L464 HydrophobicContact CG1-CD2 3.59Å; V39-F473 HydrophobicContact CG2-CE2 3.83Å; V39-F473 HydrophobicContact CG2-CZ 3.49Å; V39-F473 VanDerWaalsContact CG2-CZ 3.49Å; V39-P475 HydrophobicContact CG2-CB 4.17Å; V39-P475 HydrophobicContact CG2-CG 4.36Å; V39-T477 PolarHBondContact N-O 3.38Å; V39-M478 HydrophobicContact CB-CG 4.46Å; V39-M478 WeakPolarHBondContact O-CA 3.31Å; V39-A479 PolarHBondContact O-N 2.99Å; V39-A479 VanDerWaalsContact O-N 3.1Å
40L93Very high89.6Confident0 Ų023.1 Ų23.10%013%0.134CC..EExtended strand (participates in β ladder)trans-123113.6-174.5-58.4177.3000109.6Y24 E27 L28 V455 I456 T457 S458 A479 F481Y24-L40 HydrophobicContact CD2-CB 4.41Å; Y24-L40 HydrophobicContact CD2-CD1 4.32Å; Y24-L40 HydrophobicContact CE2-CB 3.73Å; Y24-L40 HydrophobicContact CE2-CD1 3.74Å; Y24-L40 HydrophobicContact CE2-CG 4.37Å; E27-L40 HydrophobicContact CB-CD2 4.17Å; L28-L40 HydrophobicContact CB-CD1 4.2Å; L28-L40 HydrophobicContact CD1-CD1 3.6Å; L40-V455 HydrophobicContact CD1-CG1 3.99Å; L40-V455 HydrophobicContact CG-CG1 4.44Å; L40-I456 PolarHBondContact N-O 3.38Å; L40-T457 VanDerWaalsContact O-CA 3.32Å; L40-T457 WeakPolarHBondContact O-CA 3.42Å; L40-T457 PolarHBondContact O-OG1 3.42Å; L40-S458 PolarHBondContact O-N 3.41Å; L40-A479 HydrophobicContact CD2-CB 3.83Å; L40-F481 HydrophobicContact CB-CE2 4.38Å; L40-F481 HydrophobicContact CD2-CE2 4.32Å; L40-F481 HydrophobicContact CD2-CZ 4.48Å
41E91.8Very high89.6Confident4 Ų418.6 Ų18.62%0.01912%0.117CC..EExtended strand (participates in β ladder)trans-92.9111.7170.4-178.7-172-157.300109L461 L464 A479 S480 F481 P694E41-L461 HydrophobicContact CB-CB 4.22Å; E41-L461 HydrophobicContact CG-CB 4.35Å; E41-L464 HydrophobicContact CB-CD1 4.34Å; E41-L464 HydrophobicContact CB-CD2 4.07Å; E41-L464 HydrophobicContact CB-CG 4.49Å; E41-A479 PolarHBondContact N-O 3.08Å; E41-S480 WeakPolarHBondContact OE2-CB 3.48Å; E41-S480 PolarHBondContact OE2-OG 3.08Å; E41-F481 WeakPolarHBondContact O-CD2 3.12Å; E41-F481 PolarHBondContact O-N 3.19Å; E41-P694 WeakPolarHBondContact OE1-CB 3.4Å
42M89.6Confident89.6Confident0 Ų018.7 Ų18.70%012%0.117CC..  trans-115.8143.6176.3-178.268.3134.800108.3E20 Q21 Y24 T46 K48 S458 G459 F481E20-M42 HydrophobicContact CB-CE 4.04Å; E20-M42 HydrophobicContact CB-SD 4.02Å; E20-M42 WeakPolarHBondContact O-CE 3.38Å; Q21-M42 HydrophobicContact CG-CE 4.41Å; Y24-M42 HydrophobicContact CD2-CB 3.92Å; Y24-M42 HydrophobicContact CD2-CE 3.92Å; Y24-M42 HydrophobicContact CD2-CG 4.08Å; Y24-M42 HydrophobicContact CD2-SD 4.07Å; Y24-M42 HydrophobicContact CE2-CB 4.01Å; Y24-M42 HydrophobicContact CE2-CG 4.47Å; Y24-M42 HydrophobicContact CG-CE 3.7Å; Y24-M42 HydrophobicContact CG-SD 4.43Å; M42-T46 WeakPolarHBondContact CG-OG1 2.9Å; M42-K48 HydrophobicContact CB-CD 3.75Å; M42-K48 VanDerWaalsContact CB-CE 3.48Å; M42-K48 HydrophobicContact CB-CG 4.08Å; M42-K48 HydrophobicContact CG-CB 4.5Å; M42-K48 HydrophobicContact CG-CD 3.83Å; M42-K48 HydrophobicContact CG-CG 3.58Å; M42-K48 WeakPolarHBondContact O-CE 3.42Å; M42-K48 PolarHBondContact O-NZ 3.47Å; M42-S458 PolarHBondContact N-O 3.28Å; M42-G459 WeakPolarHBondContact O-CA 3.38Å; M42-F481 HydrophobicContact CB-CD2 4.18Å; M42-F481 HydrophobicContact SD-CB 3.77Å; M42-F481 HydrophobicContact SD-CD2 3.78Å; M42-F481 HydrophobicContact SD-CG 3.92Å
43P86.1Confident89.7Confident0 Ų018.6 Ų18.60%012%0.116CC..  trans-68.5152.1178.3-23.535000112.7T46 K48 F481 M483 W696P43-T46 HydrophobicContact CB-CG2 4.02Å; P43-T46 HydrophobicContact CG-CG2 4.47Å; P43-T46 PolarHBondContact O-OG1 3.01Å; P43-K48 WeakPolarHBondContact O-CE 3.33Å; P43-F481 WeakPolarHBondContact CD-O 3.42Å; P43-F481 VanDerWaalsContact CG-O 3.27Å; P43-F481 WeakPolarHBondContact CG-O 3.31Å; P43-M483 HydrophobicContact CB-CB 4.19Å; P43-M483 HydrophobicContact CB-SD 4.28Å; P43-M483 HydrophobicContact CG-CB 3.98Å; P43-W696 HydrophobicContact CB-CB 4.34Å; P43-W696 HydrophobicContact CB-CD2 4.14Å; P43-W696 HydrophobicContact CB-CG 3.9Å; P43-W696 HydrophobicContact CG-CB 3.94Å; P43-W696 HydrophobicContact CG-CG 3.9Å
44S81.3Confident89.8Confident17 Ų1715.2 Ų15.212%0.11910%0.098CC..THydrogen-bonded Turntrans-62.2145.8173-61.90000111.3T46S44-T46 VanDerWaalsContact C-N 3.32Å; S44-T46 PolarHBondContact O-N 3.45Å
45G75.9Confident89.9Confident22 Ų2212.5 Ų12.523%0.2278%0.076CC..THydrogen-bonded Turntrans79.36.317600000116.3R669G45-R669 WeakPolarHBondContact CA-O 3.16Å
46T77.6Confident89.9Confident0 Ų07.6 Ų7.60%06%0.055CC..SBendtrans-94.510.5177.957.90000113.2Q21 M42 P43 S44 M483Q21-T46 VanDerWaalsContact CD-O 3.23Å; Q21-T46 WeakPolarHBondContact CG-O 3.45Å; Q21-T46 PolarHBondContact NE2-O 3.46Å; M42-T46 WeakPolarHBondContact CG-OG1 2.9Å; P43-T46 HydrophobicContact CB-CG2 4.02Å; P43-T46 HydrophobicContact CG-CG2 4.47Å; P43-T46 PolarHBondContact O-OG1 3.01Å; S44-T46 VanDerWaalsContact C-N 3.32Å; S44-T46 PolarHBondContact O-N 3.45Å; T46-M483 HydrophobicContact CG2-CG 4.44Å; T46-M483 HydrophobicContact CG2-SD 4.34Å
47G83Confident90Very high26 Ų267 Ų727%0.2685%0.049SC..  trans67.751.8178.800000113.8I50 S51G47-I50 VanDerWaalsContact O-CG2 3.29Å; G47-I50 WeakPolarHBondContact O-CG2 3.18Å; G47-S51 WeakPolarHBondContact O-CB 3.43Å; G47-S51 PolarHBondContact O-N 3.17Å; G47-S51 PolarHBondContact O-OG 3.46Å
48K89.3Confident89.9Confident15 Ų155.8 Ų5.87%0.0654%0.044CC..Hα-helixtrans-66.5-47-179.2-45.8-172.5179.2-177.60113.1M42 P43 I50 S51 L52 S458M42-K48 HydrophobicContact CB-CD 3.75Å; M42-K48 VanDerWaalsContact CB-CE 3.48Å; M42-K48 HydrophobicContact CB-CG 4.08Å; M42-K48 HydrophobicContact CG-CB 4.5Å; M42-K48 HydrophobicContact CG-CD 3.83Å; M42-K48 HydrophobicContact CG-CG 3.58Å; M42-K48 WeakPolarHBondContact O-CE 3.42Å; M42-K48 PolarHBondContact O-NZ 3.47Å; P43-K48 WeakPolarHBondContact O-CE 3.33Å; K48-I50 PolarHBondContact O-N 3.08Å; K48-S51 WeakPolarHBondContact CA-OG 3.08Å; K48-S51 PolarHBondContact O-N 3.31Å; K48-S51 PolarHBondContact O-OG 2.78Å; K48-L52 VanDerWaalsContact O-CB 3.25Å; K48-L52 WeakPolarHBondContact O-CB 3.34Å; K48-L52 PolarHBondContact O-N 2.94Å; K48-S458 PolarHBondContact NZ-O 3.4Å
49T91.1Very high89.9Confident23 Ų236.1 Ų6.114%0.1415%0.045CC..Hα-helixtrans-60.7-49.5-176.1-53.90000109.6S51 L52 L53 Y72 V83 E86T49-S51 PolarHBondContact O-N 3.3Å; T49-L52 PolarHBondContact O-N 3.34Å; T49-L53 HydrophobicContact CG2-CD1 3.99Å; T49-L53 HydrophobicContact CG2-CG 4.46Å; T49-L53 WeakPolarHBondContact O-CB 3.27Å; T49-L53 VanDerWaalsContact O-CG 3.26Å; T49-L53 WeakPolarHBondContact O-CG 3.03Å; T49-L53 PolarHBondContact O-N 3.09Å; T49-Y72 HydrophobicContact CG2-CE2 4.32Å; T49-Y72 PolarHBondContact OG1-OH 3.29Å; T49-V83 HydrophobicContact CG2-CB 4.29Å; T49-V83 HydrophobicContact CG2-CG1 4.25Å; T49-V83 HydrophobicContact CG2-CG2 3.76Å; T49-E86 WeakPolarHBondContact CB-OE2 3.42Å; T49-E86 WeakPolarHBondContact CG2-OE2 3.4Å
50I92.3Very high89.8Confident7 Ų76.8 Ų6.84%0.0365%0.048CC..Hα-helixtrans-64.3-39.9177.3-162.964.9000114F12 P13 Y14 G47 K48 S54 E86 L90F12-I50 HydrophobicContact CE2-CG1 4.35Å; F12-I50 HydrophobicContact CE2-CG2 4.04Å; F12-I50 HydrophobicContact CZ-CG2 4.01Å; P13-I50 HydrophobicContact CG-CD1 3.48Å; P13-I50 VanDerWaalsContact CG-CD1 3.48Å; P13-I50 HydrophobicContact CG-CG1 3.54Å; Y14-I50 HydrophobicContact CD2-CG1 4.5Å; Y14-I50 HydrophobicContact CE2-CG1 4.02Å; Y14-I50 HydrophobicContact CE2-CG2 4.34Å; G47-I50 VanDerWaalsContact O-CG2 3.29Å; G47-I50 WeakPolarHBondContact O-CG2 3.18Å; K48-I50 PolarHBondContact O-N 3.08Å; I50-S54 VanDerWaalsContact O-CB 3.23Å; I50-S54 WeakPolarHBondContact O-CB 3.32Å; I50-S54 PolarHBondContact O-N 3.29Å; I50-S54 PolarHBondContact O-OG 3.18Å; I50-E86 HydrophobicContact CD1-CB 4.35Å; I50-E86 PolarHBondContact N-OE2 3.33Å; I50-E86 VanDerWaalsContact N-OE2 3.15Å; I50-L90 HydrophobicContact CD1-CB 4.33Å
51S92.9Very high89.6Confident0 Ų011.2 Ų11.20%07%0.065CC..Hα-helixtrans-66.6-42.1177.748.60000111.6G47 K48 T49 L55G47-S51 WeakPolarHBondContact O-CB 3.43Å; G47-S51 PolarHBondContact O-N 3.17Å; G47-S51 PolarHBondContact O-OG 3.46Å; K48-S51 WeakPolarHBondContact CA-OG 3.08Å; K48-S51 PolarHBondContact O-N 3.31Å; K48-S51 PolarHBondContact O-OG 2.78Å; T49-S51 PolarHBondContact O-N 3.3Å; S51-L55 WeakPolarHBondContact O-CB 3.45Å; S51-L55 PolarHBondContact O-N 3.36Å; S51-L55 VanDerWaalsContact O-N 3.14Å
52L94.6Very high89.5Confident1 Ų113.4 Ų13.41%0.0058%0.084CC..Hα-helixtrans-62.8-49.3174.5-177140.9000112.1Y24 L28 K48 T49 S54 L55 I56 Y72 V232 T457Y24-L52 HydrophobicContact CE1-CB 4.08Å; Y24-L52 HydrophobicContact CE1-CD1 4.45Å; Y24-L52 WeakPolarHBondContact OH-CD1 3.35Å; L28-L52 HydrophobicContact CD1-CD1 4.19Å; L28-L52 HydrophobicContact CD2-CG 4.36Å; K48-L52 VanDerWaalsContact O-CB 3.25Å; K48-L52 WeakPolarHBondContact O-CB 3.34Å; K48-L52 PolarHBondContact O-N 2.94Å; T49-L52 PolarHBondContact O-N 3.34Å; L52-S54 PolarHBondContact O-N 3.25Å; L52-L55 PolarHBondContact O-N 2.96Å; L52-I56 HydrophobicContact CD2-CD1 3.56Å; L52-I56 HydrophobicContact CG-CD1 3.8Å; L52-I56 VanDerWaalsContact O-CG1 3.31Å; L52-I56 WeakPolarHBondContact O-CG1 3.5Å; L52-I56 PolarHBondContact O-N 2.91Å; L52-Y72 HydrophobicContact CD2-CD2 3.99Å; L52-Y72 HydrophobicContact CD2-CE2 3.73Å; L52-V232 HydrophobicContact CD1-CB 4.34Å; L52-V232 HydrophobicContact CD1-CG1 3.41Å; L52-V232 VanDerWaalsContact CD1-CG1 3.41Å; L52-V232 HydrophobicContact CD1-CG2 4.02Å; L52-V232 HydrophobicContact CD2-CB 4.43Å; L52-V232 HydrophobicContact CD2-CG1 3.97Å; L52-V232 HydrophobicContact CD2-CG2 4.08Å; L52-V232 HydrophobicContact CG-CG1 4.34Å; L52-T457 HydrophobicContact CD1-CG2 4.39Å
53L94.3Very high89.6Confident0 Ų017.5 Ų17.50%010%0.102CC..Hα-helixtrans-63.2-43.3179.6-71175.7000111.4T49 L55 I56 V57 L70 Y72 V83 E86 L87 L90T49-L53 HydrophobicContact CG2-CD1 3.99Å; T49-L53 HydrophobicContact CG2-CG 4.46Å; T49-L53 WeakPolarHBondContact O-CB 3.27Å; T49-L53 VanDerWaalsContact O-CG 3.26Å; T49-L53 WeakPolarHBondContact O-CG 3.03Å; T49-L53 PolarHBondContact O-N 3.09Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L55 PolarHBondContact O-N 3.47Å; L53-I56 PolarHBondContact O-N 3.33Å; L53-V57 WeakPolarHBondContact O-CB 3.3Å; L53-V57 VanDerWaalsContact O-CG2 3.24Å; L53-V57 WeakPolarHBondContact O-CG2 3.36Å; L53-V57 PolarHBondContact O-N 2.79Å; L53-L70 HydrophobicContact CD2-CD2 4.03Å; L53-Y72 HydrophobicContact CD2-CD2 4.17Å; L53-Y72 HydrophobicContact CD2-CE2 4.43Å; L53-V83 HydrophobicContact CD1-CG1 4.21Å; L53-E86 HydrophobicContact CD1-CB 4.32Å; L53-L87 HydrophobicContact CD1-CB 4.14Å; L53-L90 HydrophobicContact CB-CD2 4.14Å
54S93.9Very high89.6Confident0 Ų021.3 Ų21.30%013%0.127CC..Hα-helixtrans-59.4-45.8179.9-59.30000111.5I50 L52 A58I50-S54 VanDerWaalsContact O-CB 3.23Å; I50-S54 WeakPolarHBondContact O-CB 3.32Å; I50-S54 PolarHBondContact O-N 3.29Å; I50-S54 PolarHBondContact O-OG 3.18Å; L52-S54 PolarHBondContact O-N 3.25Å; S54-A58 WeakPolarHBondContact O-CB 3.44Å; S54-A58 PolarHBondContact O-N 2.76Å; S54-A58 VanDerWaalsContact O-N 3.12Å
55L95.1Very high89.9Confident0 Ų027 Ų270%016%0.155CC..Hα-helixtrans-69.8-45.118017758.4000112.4L8 V10 M25 L28 K29 S51 L52 L53 V57 A58 Y59L8-L55 HydrophobicContact CD2-CD1 3.62Å; V10-L55 HydrophobicContact CG2-CD1 3.87Å; M25-L55 HydrophobicContact CB-CD2 3.78Å; M25-L55 HydrophobicContact CG-CB 4.09Å; M25-L55 HydrophobicContact CG-CD2 4.08Å; M25-L55 WeakPolarHBondContact O-CD2 3.36Å; M25-L55 HydrophobicContact SD-CB 4.31Å; L28-L55 HydrophobicContact CB-CD2 3.67Å; L28-L55 HydrophobicContact CD2-CB 4.18Å; L28-L55 HydrophobicContact CD2-CD2 3.38Å; L28-L55 HydrophobicContact CD2-CG 3.93Å; L28-L55 HydrophobicContact CG-CD2 4Å; K29-L55 HydrophobicContact CB-CD2 4.26Å; S51-L55 WeakPolarHBondContact O-CB 3.45Å; S51-L55 PolarHBondContact O-N 3.36Å; S51-L55 VanDerWaalsContact O-N 3.14Å; L52-L55 PolarHBondContact O-N 2.96Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L55 PolarHBondContact O-N 3.47Å; L55-V57 PolarHBondContact O-N 2.85Å; L55-A58 PolarHBondContact O-N 3.1Å; L55-Y59 WeakPolarHBondContact O-CB 3.27Å; L55-Y59 PolarHBondContact O-N 3.31Å
56I93.4Very high90.4Very high2 Ų228 Ų281%0.0116%0.155CC..Hα-helixtrans-67.7-38.8-178-63175.3000111.3L28 L32 L52 L53 Y59 Q60 L70 V230 V232L28-I56 HydrophobicContact CD2-CD1 4.42Å; L28-I56 HydrophobicContact CD2-CG1 4.02Å; L32-I56 HydrophobicContact CD1-CG1 4.44Å; L52-I56 HydrophobicContact CD2-CD1 3.56Å; L52-I56 HydrophobicContact CG-CD1 3.8Å; L52-I56 VanDerWaalsContact O-CG1 3.31Å; L52-I56 WeakPolarHBondContact O-CG1 3.5Å; L52-I56 PolarHBondContact O-N 2.91Å; L53-I56 PolarHBondContact O-N 3.33Å; I56-Y59 PolarHBondContact O-N 3.4Å; I56-Q60 HydrophobicContact CG2-CG 4.34Å; I56-Q60 WeakPolarHBondContact O-CB 3.3Å; I56-Q60 WeakPolarHBondContact O-CG 3.29Å; I56-Q60 PolarHBondContact O-N 3.07Å; I56-L70 HydrophobicContact CB-CD2 4.18Å; I56-L70 HydrophobicContact CD1-CD1 3.59Å; I56-L70 HydrophobicContact CD1-CD2 4.09Å; I56-L70 HydrophobicContact CD1-CG 4.45Å; I56-L70 HydrophobicContact CG2-CB 3.98Å; I56-L70 HydrophobicContact CG2-CD1 4.11Å; I56-L70 HydrophobicContact CG2-CD2 3.79Å; I56-L70 HydrophobicContact CG2-CG 4.16Å; I56-V230 HydrophobicContact CD1-CG1 4.42Å; I56-V232 HydrophobicContact CD1-CG2 3.81Å
57V92.6Very high90.9Very high0 Ų028.2 Ų28.20%016%0.157CC..Hα-helixtrans-62.6-43.5174.21710000110.8L53 L55 Y59 Q60 R61 L87 L90 M91 Y94 F104 I204L53-V57 WeakPolarHBondContact O-CB 3.3Å; L53-V57 VanDerWaalsContact O-CG2 3.24Å; L53-V57 WeakPolarHBondContact O-CG2 3.36Å; L53-V57 PolarHBondContact O-N 2.79Å; L55-V57 PolarHBondContact O-N 2.85Å; V57-Y59 VanDerWaalsContact C-N 3.33Å; V57-Y59 PolarHBondContact O-N 2.96Å; V57-Q60 PolarHBondContact O-N 3.4Å; V57-R61 WeakPolarHBondContact O-CG 3Å; V57-R61 PolarHBondContact O-N 3.23Å; V57-R61 VanDerWaalsContact O-N 3.11Å; V57-L87 HydrophobicContact CG2-CD1 4.18Å; V57-L90 HydrophobicContact CB-CD2 4.27Å; V57-L90 HydrophobicContact CG2-CD2 3.99Å; V57-M91 HydrophobicContact CG1-SD 4.21Å; V57-Y94 HydrophobicContact CG1-CE2 3.98Å; V57-F104 HydrophobicContact CG2-CZ 4.28Å; V57-I204 HydrophobicContact CG2-CD1 3.78Å
58A92.8Very high91.1Very high4 Ų429.6 Ų29.63%0.03316%0.16CC..Hα-helixtrans-61.3-43.1175.100000111.6L8 V10 S54 L55 R61 A62L8-A58 HydrophobicContact CD1-CB 4.46Å; L8-A58 HydrophobicContact CD2-CB 4.21Å; L8-A58 HydrophobicContact CG-CB 4.31Å; V10-A58 HydrophobicContact CB-CB 4.26Å; V10-A58 HydrophobicContact CG1-CB 4.32Å; V10-A58 HydrophobicContact CG2-CB 3.82Å; S54-A58 WeakPolarHBondContact O-CB 3.44Å; S54-A58 PolarHBondContact O-N 2.76Å; S54-A58 VanDerWaalsContact O-N 3.12Å; L55-A58 PolarHBondContact O-N 3.1Å; A58-R61 PolarHBondContact O-N 3.07Å; A58-A62 WeakPolarHBondContact O-CB 3.13Å; A58-A62 PolarHBondContact O-N 2.59Å
59Y93.3Very high91.2Very high7 Ų729.5 Ų29.53%0.02716%0.159CC..Hα-helixtrans-64.5-42.6178.8-159.1-79.5000112.1L8 L32 D33 L55 I56 V57 R61 A62 F63 D66 V67L8-Y59 HydrophobicContact CD2-CD2 3.97Å; L32-Y59 HydrophobicContact CB-CD2 4.34Å; L32-Y59 HydrophobicContact CB-CE2 3.95Å; L32-Y59 HydrophobicContact CD1-CD2 4.04Å; L32-Y59 HydrophobicContact CD1-CE2 4.49Å; L32-Y59 HydrophobicContact CD1-CG 4.08Å; D33-Y59 VanDerWaalsContact OD1-CE2 3.31Å; D33-Y59 WeakPolarHBondContact OD1-CE2 3.49Å; D33-Y59 PolarHBondContact OD1-OH 3.23Å; D33-Y59 VanDerWaalsContact OD1-OH 3.12Å; L55-Y59 WeakPolarHBondContact O-CB 3.27Å; L55-Y59 PolarHBondContact O-N 3.31Å; I56-Y59 PolarHBondContact O-N 3.4Å; V57-Y59 VanDerWaalsContact C-N 3.33Å; V57-Y59 PolarHBondContact O-N 2.96Å; Y59-R61 VanDerWaalsContact C-N 3.33Å; Y59-R61 PolarHBondContact O-N 3.29Å; Y59-A62 PolarHBondContact O-N 3.42Å; Y59-F63 HydrophobicContact CD1-CB 4.2Å; Y59-F63 HydrophobicContact CD1-CD2 4.1Å; Y59-F63 HydrophobicContact CD2-CD2 4.13Å; Y59-F63 HydrophobicContact CE1-CB 3.9Å; Y59-F63 AromaticContact CE1-CD2 3.91Å; Y59-F63 HydrophobicContact CE1-CD2 3.91Å; Y59-F63 HydrophobicContact CE1-CG 4.24Å; Y59-F63 AromaticContact CE2-CD2 3.94Å; Y59-F63 HydrophobicContact CE2-CD2 3.94Å; Y59-F63 HydrophobicContact CE2-CE2 4.24Å; Y59-F63 HydrophobicContact CG-CD2 4.2Å; Y59-F63 AromaticContact CZ-CD2 3.82Å; Y59-F63 WeakPolarHBondContact O-CA 3.32Å; Y59-F63 PolarHBondContact O-N 3.44Å; Y59-D66 HydrophobicContact CE1-CB 4.39Å; Y59-V67 HydrophobicContact CD1-CB 4.27Å; Y59-V67 HydrophobicContact CD1-CG2 3.71Å; Y59-V67 HydrophobicContact CE1-CG2 3.75Å
60Q91.5Very high91.3Very high14 Ų1428.4 Ų28.47%0.06515%0.152CC..Hα-helixtrans-62.6-37.7176.2-78.3-178-10.200112.7I56 V57 P64 V67 L70 F104I56-Q60 HydrophobicContact CG2-CG 4.34Å; I56-Q60 WeakPolarHBondContact O-CB 3.3Å; I56-Q60 WeakPolarHBondContact O-CG 3.29Å; I56-Q60 PolarHBondContact O-N 3.07Å; V57-Q60 PolarHBondContact O-N 3.4Å; Q60-P64 WeakPolarHBondContact O-CA 3.45Å; Q60-V67 HydrophobicContact CG-CB 4.17Å; Q60-V67 HydrophobicContact CG-CG1 3.69Å; Q60-L70 VanDerWaalsContact NE2-N 3.12Å; Q60-F104 VanDerWaalsContact OE1-CZ 3.23Å
61R88.8Confident91.4Very high94 Ų9428 Ų2836%0.35515%0.151SC..Hα-helixtrans-72-40.4177.1-72.6-173.2179.2-149.92.7112.2V57 A58 Y59 N102V57-R61 WeakPolarHBondContact O-CG 3Å; V57-R61 PolarHBondContact O-N 3.23Å; V57-R61 VanDerWaalsContact O-N 3.11Å; A58-R61 PolarHBondContact O-N 3.07Å; Y59-R61 VanDerWaalsContact C-N 3.33Å; Y59-R61 PolarHBondContact O-N 3.29Å; R61-N102 PolarHBondContact NH2-OD1 3.04Å
62A90.9Very high91.5Very high50 Ų5028.1 Ų28.141%0.41315%0.151SC..Hα-helixtrans-75.6-37.3179.800000112.9L8 A58 Y59 P64L8-A62 HydrophobicContact CD1-CB 3.43Å; L8-A62 VanDerWaalsContact CD1-CB 3.43Å; A58-A62 WeakPolarHBondContact O-CB 3.13Å; A58-A62 PolarHBondContact O-N 2.59Å; Y59-A62 PolarHBondContact O-N 3.42Å; A62-P64 VanDerWaalsContact C-CD 3.48Å; A62-P64 WeakPolarHBondContact O-CD 3.21Å
63F90.8Very high91.5Very high86 Ų8628 Ų2838%0.37715%0.151SC..  trans-128.664.1-174.4-54.6-73.8000112.1L8 Y59 L65 D66 V67L8-F63 HydrophobicContact CD1-CE2 4.37Å; Y59-F63 HydrophobicContact CD1-CB 4.2Å; Y59-F63 HydrophobicContact CD1-CD2 4.1Å; Y59-F63 HydrophobicContact CD2-CD2 4.13Å; Y59-F63 HydrophobicContact CE1-CB 3.9Å; Y59-F63 AromaticContact CE1-CD2 3.91Å; Y59-F63 HydrophobicContact CE1-CD2 3.91Å; Y59-F63 HydrophobicContact CE1-CG 4.24Å; Y59-F63 AromaticContact CE2-CD2 3.94Å; Y59-F63 HydrophobicContact CE2-CD2 3.94Å; Y59-F63 HydrophobicContact CE2-CE2 4.24Å; Y59-F63 HydrophobicContact CG-CD2 4.2Å; Y59-F63 AromaticContact CZ-CD2 3.82Å; Y59-F63 WeakPolarHBondContact O-CA 3.32Å; Y59-F63 PolarHBondContact O-N 3.44Å; F63-L65 PolarHBondContact O-N 3.37Å; F63-L65 VanDerWaalsContact O-N 3.11Å; F63-D66 HydrophobicContact CB-CB 4.24Å; F63-D66 PolarHBondContact O-N 3.16Å; F63-D66 VanDerWaalsContact O-N 3.12Å; F63-V67 PolarHBondContact O-N 3.14Å
64P86.4Confident91.2Very high80 Ų8028 Ų2852%0.51915%0.151SC..THydrogen-bonded Turntrans-65.2-18.7-176.627.3-35.8000113.5Q60 A62Q60-P64 WeakPolarHBondContact O-CA 3.45Å; A62-P64 VanDerWaalsContact C-CD 3.48Å; A62-P64 WeakPolarHBondContact O-CD 3.21Å
65L86.9Confident90.7Very high137 Ų13730.4 Ų30.472%0.71716%0.16SC*.THydrogen-bonded Turntrans-80.7-26178.2-62.6178.3000113.4F63 K228F63-L65 PolarHBondContact O-N 3.37Å; F63-L65 VanDerWaalsContact O-N 3.11Å; L65-K228 WeakPolarHBondContact O-CD 3.44Å; L65-K228 PolarHBondContact O-NZ 3.36Å
66D86.8Confident90.2Very high43 Ų4332 Ų3223%0.2317%0.169CC..THydrogen-bonded Turntrans-90.3-45.4-178.6-77.1-45.5000111.4K35 Y59 F63 Q452K35-D66 IonicContact NZ-OD1 3.57Å; K35-D66 PolarHBondContact NZ-OD1 3.24Å; Y59-D66 HydrophobicContact CE1-CB 4.39Å; F63-D66 HydrophobicContact CB-CB 4.24Å; F63-D66 PolarHBondContact O-N 3.16Å; F63-D66 VanDerWaalsContact O-N 3.12Å; D66-Q452 PolarHBondContact O-OE1 3.11Å; D66-Q452 VanDerWaalsContact O-OE1 3.09Å
67V88.2Confident89.9Confident4 Ų434.1 Ų34.12%0.02418%0.182CC..  trans-119.9110.2179.1-179.70000109.8Y59 Q60 F63 V230Y59-V67 HydrophobicContact CD1-CB 4.27Å; Y59-V67 HydrophobicContact CD1-CG2 3.71Å; Y59-V67 HydrophobicContact CE1-CG2 3.75Å; Q60-V67 HydrophobicContact CG-CB 4.17Å; Q60-V67 HydrophobicContact CG-CG1 3.69Å; F63-V67 PolarHBondContact O-N 3.14Å; V67-V230 HydrophobicContact CB-CG2 4.26Å; V67-V230 HydrophobicContact CG1-CB 4.37Å; V67-V230 HydrophobicContact CG1-CG2 3.54Å; V67-V230 HydrophobicContact CG2-CG2 3.65Å
68T87.3Confident89.5Confident54 Ų5437.3 Ų37.333%0.33120%0.203SC..  trans-88.5-34179.855.80000112.8K228T68-K228 HydrophobicContact CG2-CB 4.08Å; T68-K228 HydrophobicContact CG2-CD 4.4Å; T68-K228 PolarHBondContact N-O 3.3Å; T68-K228 PolarHBondContact OG1-O 3.13Å
69K91.4Very high89.3Confident13 Ų1338.4 Ų38.46%0.05721%0.207CC..EExtended strand (participates in β ladder)trans-149.9142.6-169.9-174.4174.8-72.6172.80110.9I199 L200 A202 N203 V205 L225 S229 V230K69-I199 WeakPolarHBondContact CE-O 3.36Å; K69-I199 PolarHBondContact NZ-O 2.68Å; K69-L200 PolarHBondContact NZ-O 3.49Å; K69-L200 VanDerWaalsContact NZ-O 3.09Å; K69-A202 WeakPolarHBondContact CE-O 3.5Å; K69-N203 CarbonylContact C-O 3.32Å; K69-N203 VanDerWaalsContact CA-O 3.31Å; K69-N203 WeakPolarHBondContact CA-O 3.21Å; K69-V205 HydrophobicContact CD-CG2 4.35Å; K69-L225 HydrophobicContact CD-CD2 3.72Å; K69-S229 VanDerWaalsContact O-CA 3.24Å; K69-S229 WeakPolarHBondContact O-CA 3.14Å; K69-S229 WeakPolarHBondContact O-CB 3.41Å; K69-V230 PolarHBondContact O-N 2.89Å
70L94.2Very high89.1Confident0 Ų038.1 Ų38.10%021%0.206CC..EExtended strand (participates in β ladder)trans-106.5130170.616863.1000108.4L53 I56 Q60 N203 I204 V205 V230 V232L53-L70 HydrophobicContact CD2-CD2 4.03Å; I56-L70 HydrophobicContact CB-CD2 4.18Å; I56-L70 HydrophobicContact CD1-CD1 3.59Å; I56-L70 HydrophobicContact CD1-CD2 4.09Å; I56-L70 HydrophobicContact CD1-CG 4.45Å; I56-L70 HydrophobicContact CG2-CB 3.98Å; I56-L70 HydrophobicContact CG2-CD1 4.11Å; I56-L70 HydrophobicContact CG2-CD2 3.79Å; I56-L70 HydrophobicContact CG2-CG 4.16Å; Q60-L70 VanDerWaalsContact NE2-N 3.12Å; L70-N203 PolarHBondContact N-O 3.11Å; L70-I204 HydrophobicContact CB-CG1 4.07Å; L70-I204 HydrophobicContact CD2-CD1 4.04Å; L70-I204 HydrophobicContact CD2-CG1 4.11Å; L70-I204 HydrophobicContact CD2-CG2 4.11Å; L70-I204 HydrophobicContact CG-CG2 4.36Å; L70-I204 WeakPolarHBondContact O-CA 3.47Å; L70-V205 PolarHBondContact O-N 3.11Å; L70-V230 HydrophobicContact CD1-CB 4.44Å; L70-V230 HydrophobicContact CD1-CG1 4.37Å; L70-V232 HydrophobicContact CD1-CB 4.42Å; L70-V232 HydrophobicContact CD1-CG2 3.71Å
71I93.8Very high89Confident0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-111.6106.8174.1-62160.3000106.4Y207 L225 V230 V231 V232 F451I71-Y207 HydrophobicContact CG2-CE1 4.07Å; I71-Y207 HydrophobicContact CG2-CE2 3.98Å; I71-Y207 VanDerWaalsContact CG2-CZ 3.48Å; I71-Y207 WeakPolarHBondContact CG2-OH 3.38Å; I71-L225 HydrophobicContact CD1-CD1 3.58Å; I71-L225 HydrophobicContact CD1-CG 4.48Å; I71-L225 HydrophobicContact CG1-CD1 4.23Å; I71-V230 PolarHBondContact N-O 3.06Å; I71-V231 HydrophobicContact CB-CG2 4.14Å; I71-V231 HydrophobicContact CD1-CG2 3.93Å; I71-V231 HydrophobicContact CG2-CG2 4.44Å; I71-V231 CarbonylContact O-C 3.46Å; I71-V231 WeakPolarHBondContact O-CA 3.43Å; I71-V232 PolarHBondContact O-N 3.36Å; I71-F451 HydrophobicContact CD1-CD1 4.14Å; I71-F451 HydrophobicContact CD1-CE1 3.49Å; I71-F451 VanDerWaalsContact CD1-CE1 3.49Å; I71-F451 HydrophobicContact CD1-CZ 3.94Å
72Y95.2Very high89.1Confident1 Ų140.9 Ų40.90%0.00422%0.222CC..EExtended strand (participates in β ladder)trans-96.1121.2176-161.6-71.7000109T49 L52 L53 V83 V205 V206 Y207 V232 D234T49-Y72 HydrophobicContact CG2-CE2 4.32Å; T49-Y72 PolarHBondContact OG1-OH 3.29Å; L52-Y72 HydrophobicContact CD2-CD2 3.99Å; L52-Y72 HydrophobicContact CD2-CE2 3.73Å; L53-Y72 HydrophobicContact CD2-CD2 4.17Å; L53-Y72 HydrophobicContact CD2-CE2 4.43Å; Y72-V83 HydrophobicContact CD1-CG1 4.05Å; Y72-V83 HydrophobicContact CD1-CG2 4.17Å; Y72-V83 HydrophobicContact CD2-CG1 4.12Å; Y72-V83 HydrophobicContact CE1-CG1 4.14Å; Y72-V83 HydrophobicContact CE1-CG2 3.59Å; Y72-V83 HydrophobicContact CE2-CG1 4.13Å; Y72-V83 HydrophobicContact CG-CG1 4.06Å; Y72-V205 PolarHBondContact N-O 3.44Å; Y72-V206 HydrophobicContact CD1-CG1 4.08Å; Y72-V206 HydrophobicContact CG-CG1 4.42Å; Y72-V206 WeakPolarHBondContact O-CA 3.39Å; Y72-Y207 PolarHBondContact O-N 3Å; Y72-V232 HydrophobicContact CD2-CB 4.48Å; Y72-V232 HydrophobicContact CD2-CG1 4.35Å; Y72-V232 HydrophobicContact CE2-CG1 4.29Å; Y72-D234 HydrophobicContact CE1-CB 3.55Å; Y72-D234 VanDerWaalsContact OH-CB 3.3Å; Y72-D234 WeakPolarHBondContact OH-CB 3.31Å; Y72-D234 PolarHBondContact OH-OD2 3.1Å
73C93.2Very high89.1Confident0 Ų038.8 Ų38.80%020%0.204CC..EExtended strand (participates in β ladder)trans-111.6114.6179.5-61.60000109.8Y207 Y209 V232 F233 D234C73-Y207 VanDerWaalsContact CA-O 3.27Å; C73-Y207 WeakPolarHBondContact CA-O 3.13Å; C73-Y207 VanDerWaalsContact SG-CE2 3.54Å; C73-Y209 HydrophobicContact CB-CD1 3.83Å; C73-Y209 HydrophobicContact CB-CE1 4.22Å; C73-Y209 WeakPolarHBondContact O-CE1 3.25Å; C73-V232 WeakPolarHBondContact CB-O 3.47Å; C73-V232 PolarHBondContact N-O 3.47Å; C73-F233 HydrophobicContact CB-CD1 3.61Å; C73-F233 HydrophobicContact CB-CE1 3.91Å; C73-D234 PolarHBondContact O-N 2.73Å
74S89.5Confident89.2Confident0 Ų034.8 Ų34.80%019%0.186CC..EExtended strand (participates in β ladder)trans-109.2170.4172.2-145.50000110.7E79 Y207 S208 Y209S74-E79 WeakPolarHBondContact OG-CB 3.36Å; S74-E79 PolarHBondContact OG-OE2 3.12Å; S74-Y207 PolarHBondContact N-O 2.98Å; S74-S208 WeakPolarHBondContact O-CA 3.38Å; S74-Y209 PolarHBondContact O-N 3.43Å
75R83.8Confident89.5Confident50 Ų5034 Ų3419%0.18918%0.176CC..SBendtrans-85.3-50.2-180-167.4172.7-174.2-172.1-6.4111.6E79 S208 Y209 H237 N238 E606R75-E79 PolarHBondContact N-OE2 2.89Å; R75-S208 PolarHBondContact O-OG 3.14Å; R75-Y209 HydrophobicContact CB-CD2 4.27Å; R75-Y209 HydrophobicContact CB-CE2 3.73Å; R75-Y209 HydrophobicContact CG-CD2 4.19Å; R75-Y209 HydrophobicContact CG-CE2 3.9Å; R75-H237 PolarHBondContact NH1-NE2 3.1Å; R75-N238 PolarHBondContact NH1-ND2 3.07Å; R75-E606 VanDerWaalsContact CZ-CD 3.44Å; R75-E606 IonicContact CZ-OE1 3.65Å; R75-E606 IonicContact CZ-OE2 2.73Å; R75-E606 IonicContact NH1-OE1 3.69Å; R75-E606 PolarHBondContact NH1-OE1 3.31Å; R75-E606 IonicContact NH1-OE2 2.75Å; R75-E606 IonicContact NH2-OE1 3.55Å; R75-E606 PolarHBondContact NH2-OE1 3.33Å; R75-E606 IonicContact NH2-OE2 3.48Å; R75-E606 PolarHBondContact NH2-OE2 2.76Å
76T84.5Confident89.7Confident33 Ų3330 Ų3020%0.20215%0.153CC..SBendtrans-111.1158.1-170.371.70000113.3E79 I80T76-E79 PolarHBondContact N-OE2 3.48Å; T76-E79 PolarHBondContact O-N 2.96Å; T76-E79 VanDerWaalsContact OG1-CG 3.23Å; T76-E79 WeakPolarHBondContact OG1-CG 3.39Å; T76-E79 PolarHBondContact OG1-OE1 2.9Å; T76-I80 WeakPolarHBondContact O-CG1 3.31Å; T76-I80 PolarHBondContact O-N 2.96Å
77V86Confident90Very high46 Ų4628 Ų2828%0.27914%0.142SC..Hα-helixtrans-63.9-42.6178.7179.80000112.7E79 I80 E81 L177V77-E79 VanDerWaalsContact C-N 3.25Å; V77-E79 PolarHBondContact O-N 3.18Å; V77-I80 WeakPolarHBondContact O-CB 3.47Å; V77-I80 PolarHBondContact O-N 3Å; V77-I80 VanDerWaalsContact O-N 3.08Å; V77-E81 PolarHBondContact O-N 3.04Å; V77-L177 HydrophobicContact CG1-CD1 3.65Å
78P85.4Confident90.2Very high67 Ų6730.5 Ų30.544%0.43515%0.152SC..Hα-helixtrans-60.8-32.4175.6-26.136.6000113.6E81 K82P78-E81 PolarHBondContact O-N 3.18Å; P78-K82 VanDerWaalsContact O-CG 3.31Å; P78-K82 WeakPolarHBondContact O-CG 3.48Å; P78-K82 PolarHBondContact O-N 3.21Å
79E86.8Confident90.4Very high27 Ų2733.3 Ų33.313%0.12616%0.159CC..Hα-helixtrans-68.1-41.1173.1-66.8154.4-15300111.8S74 R75 T76 V77 E81 K82 V83S74-E79 WeakPolarHBondContact OG-CB 3.36Å; S74-E79 PolarHBondContact OG-OE2 3.12Å; R75-E79 PolarHBondContact N-OE2 2.89Å; T76-E79 PolarHBondContact N-OE2 3.48Å; T76-E79 PolarHBondContact O-N 2.96Å; T76-E79 VanDerWaalsContact OG1-CG 3.23Å; T76-E79 WeakPolarHBondContact OG1-CG 3.39Å; T76-E79 PolarHBondContact OG1-OE1 2.9Å; V77-E79 VanDerWaalsContact C-N 3.25Å; V77-E79 PolarHBondContact O-N 3.18Å; E79-E81 VanDerWaalsContact C-N 3.27Å; E79-E81 PolarHBondContact O-N 3.37Å; E79-K82 PolarHBondContact O-N 3.06Å; E79-V83 WeakPolarHBondContact O-CG2 3.31Å; E79-V83 PolarHBondContact O-N 3.19Å
80I89.9Confident90.4Very high1 Ų132.7 Ų32.71%0.00516%0.157CC..Hα-helixtrans-56.3-46174.8-65.8169.4000109.9T76 V77 V83 V84 V206T76-I80 WeakPolarHBondContact O-CG1 3.31Å; T76-I80 PolarHBondContact O-N 2.96Å; V77-I80 WeakPolarHBondContact O-CB 3.47Å; V77-I80 PolarHBondContact O-N 3Å; V77-I80 VanDerWaalsContact O-N 3.08Å; I80-V83 PolarHBondContact O-N 2.91Å; I80-V84 WeakPolarHBondContact O-CG2 3.42Å; I80-V84 PolarHBondContact O-N 3.34Å; I80-V84 VanDerWaalsContact O-N 3.13Å; I80-V206 HydrophobicContact CB-CG1 4.22Å; I80-V206 HydrophobicContact CG1-CG1 4.23Å; I80-V206 HydrophobicContact CG2-CB 4.18Å; I80-V206 HydrophobicContact CG2-CG1 3.8Å
81E90.3Very high90.3Very high66 Ų6633 Ų3331%0.30816%0.158SC..Hα-helixtrans-62.4-45.9177.5-69.3171.9179.200111.5V77 P78 E79 V83 V84 E85V77-E81 PolarHBondContact O-N 3.04Å; P78-E81 PolarHBondContact O-N 3.18Å; E79-E81 VanDerWaalsContact C-N 3.27Å; E79-E81 PolarHBondContact O-N 3.37Å; E81-V83 PolarHBondContact O-N 3.31Å; E81-V84 PolarHBondContact O-N 2.8Å; E81-E85 WeakPolarHBondContact O-CG 3.07Å; E81-E85 PolarHBondContact O-N 2.86Å
82K89.4Confident90.1Very high101 Ų10137.8 Ų37.844%0.43918%0.18SC..Hα-helixtrans-57.1-45.7176.5-75171.6-178.3170.40112.3P78 E79 V84 E85 E86 D609P78-K82 VanDerWaalsContact O-CG 3.31Å; P78-K82 WeakPolarHBondContact O-CG 3.48Å; P78-K82 PolarHBondContact O-N 3.21Å; E79-K82 PolarHBondContact O-N 3.06Å; K82-V84 VanDerWaalsContact C-N 3.31Å; K82-V84 PolarHBondContact O-N 3.03Å; K82-E85 PolarHBondContact O-N 3.23Å; K82-E86 WeakPolarHBondContact O-CG 2.82Å; K82-E86 PolarHBondContact O-N 2.87Å; K82-D609 IonicContact NZ-OD2 2.77Å; K82-D609 PolarHBondContact NZ-OD2 3.11Å
83V92.4Very high89.8Confident5 Ų539.3 Ų39.33%0.0319%0.187CC..Hα-helixtrans-61.4-41.4179.2173.40000110.9T49 L53 Y72 E79 I80 E81 E86 L87 V206T49-V83 HydrophobicContact CG2-CB 4.29Å; T49-V83 HydrophobicContact CG2-CG1 4.25Å; T49-V83 HydrophobicContact CG2-CG2 3.76Å; L53-V83 HydrophobicContact CD1-CG1 4.21Å; Y72-V83 HydrophobicContact CD1-CG1 4.05Å; Y72-V83 HydrophobicContact CD1-CG2 4.17Å; Y72-V83 HydrophobicContact CD2-CG1 4.12Å; Y72-V83 HydrophobicContact CE1-CG1 4.14Å; Y72-V83 HydrophobicContact CE1-CG2 3.59Å; Y72-V83 HydrophobicContact CE2-CG1 4.13Å; Y72-V83 HydrophobicContact CG-CG1 4.06Å; E79-V83 WeakPolarHBondContact O-CG2 3.31Å; E79-V83 PolarHBondContact O-N 3.19Å; I80-V83 PolarHBondContact O-N 2.91Å; E81-V83 PolarHBondContact O-N 3.31Å; V83-E86 PolarHBondContact O-N 2.76Å; V83-L87 WeakPolarHBondContact O-CB 3.26Å; V83-L87 PolarHBondContact O-N 3.04Å; V83-V206 HydrophobicContact CB-CG1 4.17Å; V83-V206 HydrophobicContact CG1-CG1 3.98Å; V83-V206 HydrophobicContact CG1-CG2 4.02Å
84V92.3Very high89.6Confident2 Ų239.4 Ų39.41%0.01219%0.187CC..Hα-helixtrans-67.2-40.4178.6173.30000111.7I80 E81 K82 L87 R88 I174 N176 V206I80-V84 WeakPolarHBondContact O-CG2 3.42Å; I80-V84 PolarHBondContact O-N 3.34Å; I80-V84 VanDerWaalsContact O-N 3.13Å; E81-V84 PolarHBondContact O-N 2.8Å; K82-V84 VanDerWaalsContact C-N 3.31Å; K82-V84 PolarHBondContact O-N 3.03Å; V84-L87 WeakPolarHBondContact O-CB 3Å; V84-L87 PolarHBondContact O-N 3.19Å; V84-R88 PolarHBondContact O-N 2.92Å; V84-I174 HydrophobicContact CG1-CG2 3.51Å; V84-N176 HydrophobicContact CG1-CB 3.93Å; V84-V206 HydrophobicContact CG2-CB 4.31Å; V84-V206 HydrophobicContact CG2-CG2 4.06Å
85E91.9Very high89.5Confident65 Ų6541.1 Ų41.130%0.30420%0.201SC..Hα-helixtrans-68-36.5175.5-65.6-52.7142.800112.6E81 K82 L87 R88 K89 N176E81-E85 WeakPolarHBondContact O-CG 3.07Å; E81-E85 PolarHBondContact O-N 2.86Å; K82-E85 PolarHBondContact O-N 3.23Å; E85-L87 VanDerWaalsContact C-N 3.34Å; E85-R88 WeakPolarHBondContact O-CB 3.35Å; E85-R88 PolarHBondContact O-N 3.03Å; E85-R88 IonicContact OE1-CZ 3.01Å; E85-R88 IonicContact OE1-NH1 3.57Å; E85-R88 PolarHBondContact OE1-NH1 3.12Å; E85-R88 IonicContact OE2-CZ 3.3Å; E85-R88 IonicContact OE2-NE 3.97Å; E85-R88 IonicContact OE2-NH1 3.64Å; E85-R88 PolarHBondContact OE2-NH1 3.31Å; E85-K89 WeakPolarHBondContact O-CG 3.48Å; E85-K89 PolarHBondContact O-N 2.84Å; E85-K89 VanDerWaalsContact O-N 3.09Å; E85-N176 PolarHBondContact OE1-ND2 3.39Å
86E92.1Very high89.7Confident52 Ų5246.8 Ų46.824%0.24323%0.228CC..Hα-helixtrans-64.2-40.6172-76-169.6-17200112T49 I50 L53 K82 V83 R88 K89 L90T49-E86 WeakPolarHBondContact CB-OE2 3.42Å; T49-E86 WeakPolarHBondContact CG2-OE2 3.4Å; I50-E86 HydrophobicContact CD1-CB 4.35Å; I50-E86 PolarHBondContact N-OE2 3.33Å; I50-E86 VanDerWaalsContact N-OE2 3.15Å; L53-E86 HydrophobicContact CD1-CB 4.32Å; K82-E86 WeakPolarHBondContact O-CG 2.82Å; K82-E86 PolarHBondContact O-N 2.87Å; V83-E86 PolarHBondContact O-N 2.76Å; E86-R88 VanDerWaalsContact C-N 3.29Å; E86-R88 PolarHBondContact O-N 3.32Å; E86-K89 PolarHBondContact O-N 3.22Å; E86-L90 PolarHBondContact O-N 3.47Å
87L92.7Very high89.7Confident0 Ų049.2 Ų49.20%024%0.236CC..Hα-helixtrans-63.6-36.2173.9-17661.1000111.7L53 V57 V83 V84 E85 L90 M91 A106 I174 I204L53-L87 HydrophobicContact CD1-CB 4.14Å; V57-L87 HydrophobicContact CG2-CD1 4.18Å; V83-L87 WeakPolarHBondContact O-CB 3.26Å; V83-L87 PolarHBondContact O-N 3.04Å; V84-L87 WeakPolarHBondContact O-CB 3Å; V84-L87 PolarHBondContact O-N 3.19Å; E85-L87 VanDerWaalsContact C-N 3.34Å; L87-L90 HydrophobicContact CD1-CD2 4.21Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.49Å; L87-M91 HydrophobicContact CD1-CG 4.31Å; L87-M91 WeakPolarHBondContact O-CG 3.42Å; L87-M91 PolarHBondContact O-N 2.99Å; L87-A106 HydrophobicContact CD2-CB 3.36Å; L87-I174 HydrophobicContact CG-CD1 3.95Å; L87-I174 WeakPolarHBondContact O-CD1 3.35Å; L87-I204 HydrophobicContact CD1-CD1 3.7Å; L87-I204 HydrophobicContact CD2-CB 4.21Å; L87-I204 HydrophobicContact CD2-CD1 3.77Å; L87-I204 HydrophobicContact CD2-CG2 4.05Å; L87-I204 HydrophobicContact CG-CD1 4.4Å
88R92.6Very high89.5Confident58 Ų5849.2 Ų49.222%0.21924%0.237CC..Hα-helixtrans-60.3-49.3174.5-175.2176.6-71.7151.7-4.7111.5V84 E85 E86 L90 M91 E92 I174 D179V84-R88 PolarHBondContact O-N 2.92Å; E85-R88 WeakPolarHBondContact O-CB 3.35Å; E85-R88 PolarHBondContact O-N 3.03Å; E85-R88 IonicContact OE1-CZ 3.01Å; E85-R88 IonicContact OE1-NH1 3.57Å; E85-R88 PolarHBondContact OE1-NH1 3.12Å; E85-R88 IonicContact OE2-CZ 3.3Å; E85-R88 IonicContact OE2-NE 3.97Å; E85-R88 IonicContact OE2-NH1 3.64Å; E85-R88 PolarHBondContact OE2-NH1 3.31Å; E86-R88 VanDerWaalsContact C-N 3.29Å; E86-R88 PolarHBondContact O-N 3.32Å; R88-L90 VanDerWaalsContact C-N 3.3Å; R88-L90 PolarHBondContact O-N 2.97Å; R88-M91 PolarHBondContact O-N 2.84Å; R88-E92 WeakPolarHBondContact O-CG 3.42Å; R88-E92 PolarHBondContact O-N 2.93Å; R88-I174 VanDerWaalsContact CA-CD1 3.43Å; R88-I174 HydrophobicContact CB-CD1 4.18Å; R88-I174 HydrophobicContact CB-CG2 4.43Å; R88-I174 PolarHBondContact NH2-O 3.44Å; R88-I174 VanDerWaalsContact NH2-O 3.14Å; R88-D179 IonicContact CZ-OD2 3.28Å; R88-D179 IonicContact NH2-OD2 2.69Å; R88-D179 PolarHBondContact NH2-OD2 2.89Å
89K92Very high89.1Confident113 Ų11349.4 Ų49.449%0.49125%0.251SS..Hα-helixtrans-58.2-42.5175.2-68173.3-175.9173.80112.2E85 E86 F93E85-K89 WeakPolarHBondContact O-CG 3.48Å; E85-K89 PolarHBondContact O-N 2.84Å; E85-K89 VanDerWaalsContact O-N 3.09Å; E86-K89 PolarHBondContact O-N 3.22Å; K89-F93 WeakPolarHBondContact O-CB 3.44Å; K89-F93 PolarHBondContact O-N 2.98Å
90L91.6Very high88.4Confident0 Ų054.6 Ų54.60%028%0.275CS..Hα-helixtrans-59.9-48.2176.7-17965000111.3Y11 P13 I50 L53 V57 E86 L87 R88 F93 Y94Y11-L90 WeakPolarHBondContact O-CD1 3.46Å; P13-L90 HydrophobicContact CB-CD1 4.22Å; P13-L90 HydrophobicContact CG-CD1 3.85Å; I50-L90 HydrophobicContact CD1-CB 4.33Å; L53-L90 HydrophobicContact CB-CD2 4.14Å; V57-L90 HydrophobicContact CB-CD2 4.27Å; V57-L90 HydrophobicContact CG2-CD2 3.99Å; E86-L90 PolarHBondContact O-N 3.47Å; L87-L90 HydrophobicContact CD1-CD2 4.21Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.49Å; R88-L90 VanDerWaalsContact C-N 3.3Å; R88-L90 PolarHBondContact O-N 2.97Å; L90-F93 WeakPolarHBondContact O-CB 3.27Å; L90-F93 PolarHBondContact O-N 3.28Å; L90-Y94 HydrophobicContact CD1-CD2 4.02Å; L90-Y94 HydrophobicContact CD1-CE2 3.76Å; L90-Y94 HydrophobicContact CD2-CE2 4.43Å; L90-Y94 HydrophobicContact CG-CD2 3.97Å; L90-Y94 HydrophobicContact CG-CE2 3.92Å; L90-Y94 WeakPolarHBondContact O-CD2 3.43Å; L90-Y94 PolarHBondContact O-N 3.43Å
91M90.2Very high87.1Confident7 Ų758.7 Ų58.73%0.03431%0.31CS..Hα-helixtrans-72.8-31.7-176.4-66-59-93.400113.2V57 L87 R88 F93 Y94 A95 N102 F104 I174V57-M91 HydrophobicContact CG1-SD 4.21Å; L87-M91 HydrophobicContact CD1-CG 4.31Å; L87-M91 WeakPolarHBondContact O-CG 3.42Å; L87-M91 PolarHBondContact O-N 2.99Å; R88-M91 PolarHBondContact O-N 2.84Å; M91-F93 VanDerWaalsContact C-N 3.34Å; M91-Y94 PolarHBondContact O-N 3.19Å; M91-Y94 HydrophobicContact SD-CD2 4.31Å; M91-A95 WeakPolarHBondContact O-CB 3.32Å; M91-A95 PolarHBondContact O-N 3.06Å; M91-N102 HydrophobicContact CE-CB 4.34Å; M91-N102 PolarHBondContact O-ND2 3.31Å; M91-F104 HydrophobicContact CE-CB 3.13Å; M91-F104 HydrophobicContact CE-CD1 3.5Å; M91-F104 VanDerWaalsContact CE-CD1 3.5Å; M91-F104 HydrophobicContact CE-CD2 3.96Å; M91-F104 HydrophobicContact CE-CE1 4.3Å; M91-F104 HydrophobicContact CE-CG 3.26Å; M91-I174 HydrophobicContact CB-CD1 3.68Å; M91-I174 HydrophobicContact CG-CD1 3.6Å
92E89.8Confident86Confident100 Ų10057.5 Ų57.547%0.46731%0.305SS..Hα-helixtrans-62-41.8168.3-74.7176.4-165.800111.8R88 A95 K96R88-E92 WeakPolarHBondContact O-CG 3.42Å; R88-E92 PolarHBondContact O-N 2.93Å; E92-A95 PolarHBondContact O-N 3.19Å; E92-K96 WeakPolarHBondContact O-CG 3.29Å; E92-K96 PolarHBondContact O-N 3.44Å; E92-K96 VanDerWaalsContact O-N 3.07Å
93F90Very high85.3Confident32 Ų3259.6 Ų59.614%0.1432%0.321CS..Hα-helixtrans-62.9-44.5174.7-176.9-99.1000111.6Y11 F12 P13 K89 L90 M91 A95 K96 E97Y11-F93 HydrophobicContact CD1-CE1 4.39Å; F12-F93 VanDerWaalsContact O-CE1 3.27Å; F12-F93 WeakPolarHBondContact O-CE1 3.48Å; P13-F93 HydrophobicContact CB-CB 3.9Å; P13-F93 HydrophobicContact CB-CD1 4.37Å; P13-F93 HydrophobicContact CB-CG 4.06Å; K89-F93 WeakPolarHBondContact O-CB 3.44Å; K89-F93 PolarHBondContact O-N 2.98Å; L90-F93 WeakPolarHBondContact O-CB 3.27Å; L90-F93 PolarHBondContact O-N 3.28Å; M91-F93 VanDerWaalsContact C-N 3.34Å; F93-A95 PolarHBondContact O-N 3.48Å; F93-K96 PolarHBondContact O-N 3.25Å; F93-E97 HydrophobicContact CD1-CG 4.3Å; F93-E97 HydrophobicContact CE1-CG 3.78Å; F93-E97 HydrophobicContact CE2-CG 4.18Å; F93-E97 HydrophobicContact CZ-CG 3.68Å; F93-E97 PolarHBondContact O-N 3.43Å
94Y88Confident84.9Confident2 Ų260.1 Ų60.11%0.00832%0.323CS..Hα-helixtrans-58.6-44.7173.9-93.7-83.2000112.6Y11 V57 L90 M91 K96 E97 T98Y11-Y94 AromaticContact CD2-CD1 3.94Å; Y11-Y94 HydrophobicContact CD2-CD1 3.94Å; Y11-Y94 AromaticContact CD2-CE1 3.16Å; Y11-Y94 HydrophobicContact CD2-CE1 3.16Å; Y11-Y94 AromaticContact CD2-CZ 3.61Å; Y11-Y94 HydrophobicContact CE2-CD1 4.49Å; Y11-Y94 AromaticContact CE2-CE1 3.87Å; Y11-Y94 HydrophobicContact CE2-CE1 3.87Å; Y11-Y94 HydrophobicContact CG-CD1 4.1Å; Y11-Y94 AromaticContact CG-CE1 3.63Å; Y11-Y94 HydrophobicContact CG-CE1 3.63Å; Y11-Y94 AromaticContact CG-CZ 3.92Å; V57-Y94 HydrophobicContact CG1-CE2 3.98Å; L90-Y94 HydrophobicContact CD1-CD2 4.02Å; L90-Y94 HydrophobicContact CD1-CE2 3.76Å; L90-Y94 HydrophobicContact CD2-CE2 4.43Å; L90-Y94 HydrophobicContact CG-CD2 3.97Å; L90-Y94 HydrophobicContact CG-CE2 3.92Å; L90-Y94 WeakPolarHBondContact O-CD2 3.43Å; L90-Y94 PolarHBondContact O-N 3.43Å; M91-Y94 PolarHBondContact O-N 3.19Å; M91-Y94 HydrophobicContact SD-CD2 4.31Å; Y94-K96 VanDerWaalsContact C-N 3.31Å; Y94-K96 PolarHBondContact O-N 3.42Å; Y94-E97 PolarHBondContact O-N 3.36Å; Y94-T98 WeakPolarHBondContact O-CB 3.17Å; Y94-T98 PolarHBondContact O-N 2.96Å; Y94-T98 PolarHBondContact O-OG1 3.26Å
95A87.1Confident84.9Confident36 Ų3660.6 Ų60.630%0.29833%0.325SS..Hα-helixtrans-62.4-39.7179.700000111.7M91 E92 F93 G99M91-A95 WeakPolarHBondContact O-CB 3.32Å; M91-A95 PolarHBondContact O-N 3.06Å; E92-A95 PolarHBondContact O-N 3.19Å; F93-A95 PolarHBondContact O-N 3.48Å; A95-G99 WeakPolarHBondContact O-CA 3.37Å; A95-G99 PolarHBondContact O-N 3.48Å
96K88.3Confident84.9Confident170 Ų17057.5 Ų57.574%0.73931%0.311SS*.Hα-helixtrans-65.1-41.9175.9-72.5174.7-176.7175.40112.7E92 F93 Y94E92-K96 WeakPolarHBondContact O-CG 3.29Å; E92-K96 PolarHBondContact O-N 3.44Å; E92-K96 VanDerWaalsContact O-N 3.07Å; F93-K96 PolarHBondContact O-N 3.25Å; Y94-K96 VanDerWaalsContact C-N 3.31Å; Y94-K96 PolarHBondContact O-N 3.42Å
97E85.8Confident84.9Confident83 Ų8355.1 Ų55.139%0.38830%0.3SS..Hα-helixtrans-78.7-33.1-175.7-76.6-67.1144.300114.2K2 Y11 F93 Y94K2-E97 WeakPolarHBondContact CE-OE2 3.48Å; K2-E97 IonicContact NZ-OE2 2.91Å; K2-E97 PolarHBondContact NZ-OE2 2.96Å; Y11-E97 HydrophobicContact CD1-CB 4.1Å; Y11-E97 HydrophobicContact CD1-CG 4.27Å; Y11-E97 HydrophobicContact CE1-CB 4.04Å; F93-E97 HydrophobicContact CD1-CG 4.3Å; F93-E97 HydrophobicContact CE1-CG 3.78Å; F93-E97 HydrophobicContact CE2-CG 4.18Å; F93-E97 HydrophobicContact CZ-CG 3.68Å; F93-E97 PolarHBondContact O-N 3.43Å; Y94-E97 PolarHBondContact O-N 3.36Å
98T81.6Confident84.9Confident47 Ų4755.1 Ų55.129%0.28830%0.3SS..Hα-helixtrans-101.6-22.3-174.7590000113.3Y94 E100Y94-T98 WeakPolarHBondContact O-CB 3.17Å; Y94-T98 PolarHBondContact O-N 2.96Å; Y94-T98 PolarHBondContact O-OG1 3.26Å; T98-E100 PolarHBondContact O-N 3.35Å
99G76.9Confident84.7Confident71 Ų7152.7 Ų52.773%0.73229%0.291SS*.  trans693.8-176.200000114.5A95A95-G99 WeakPolarHBondContact O-CA 3.37Å; A95-G99 PolarHBondContact O-N 3.48Å
100E72.4Confident84.5Confident135 Ų13547.6 Ų47.663%0.63127%0.27SS*.  trans-91.9145.5-178.7-67.4-178.1170.400111.9T98 N102T98-E100 PolarHBondContact O-N 3.35Å; E100-N102 PolarHBondContact O-N 2.97Å
101A62.5Low84.3Confident88 Ų8849.5 Ų49.573%0.72728%0.283SS*.  trans-67.7122.8171.200000109.8N103A101-N103 PolarHBondContact O-N 2.84Å
102N65.7Low84.2Confident40 Ų4050.4 Ų50.421%0.21429%0.286CS..  trans-68.3101.1-178.5-76.9-34000110.9R61 M91 E100 F104 A172R61-N102 PolarHBondContact NH2-OD1 3.04Å; M91-N102 HydrophobicContact CE-CB 4.34Å; M91-N102 PolarHBondContact O-ND2 3.31Å; E100-N102 PolarHBondContact O-N 2.97Å; N102-F104 PolarHBondContact O-N 3.2Å; N102-A172 WeakPolarHBondContact O-CB 3.18Å
103N75.2Confident84.2Confident146 Ų14650.8 Ų50.878%0.78129%0.286SS*.  trans-7845.2169.3-76.8-12.9000112.2A101A101-N103 PolarHBondContact O-N 2.84Å
104F84.7Confident84.1Confident15 Ų1551.3 Ų51.37%0.06629%0.291CS..  trans-122.1127.6-172.4-155.3-89000110.3V57 Q60 M91 N102 G173 N203 I204V57-F104 HydrophobicContact CG2-CZ 4.28Å; Q60-F104 VanDerWaalsContact OE1-CZ 3.23Å; M91-F104 HydrophobicContact CE-CB 3.13Å; M91-F104 HydrophobicContact CE-CD1 3.5Å; M91-F104 VanDerWaalsContact CE-CD1 3.5Å; M91-F104 HydrophobicContact CE-CD2 3.96Å; M91-F104 HydrophobicContact CE-CE1 4.3Å; M91-F104 HydrophobicContact CE-CG 3.26Å; N102-F104 PolarHBondContact O-N 3.2Å; F104-G173 PolarHBondContact O-N 2.78Å; F104-N203 HydrophobicContact CD1-CB 4.1Å; F104-N203 HydrophobicContact CD2-CB 4.04Å; F104-N203 HydrophobicContact CE1-CB 3.67Å; F104-N203 HydrophobicContact CE2-CB 3.59Å; F104-N203 HydrophobicContact CG-CB 4.29Å; F104-N203 HydrophobicContact CZ-CB 3.41Å; F104-N203 VanDerWaalsContact CZ-CB 3.41Å; F104-I204 HydrophobicContact CE1-CB 4.26Å; F104-I204 HydrophobicContact CE1-CD1 3.41Å; F104-I204 VanDerWaalsContact CE1-CD1 3.41Å; F104-I204 HydrophobicContact CE1-CG1 3.45Å; F104-I204 VanDerWaalsContact CE1-CG1 3.45Å; F104-I204 HydrophobicContact CZ-CD1 3.66Å; F104-I204 HydrophobicContact CZ-CG1 3.65Å
105L91.3Very high84.3Confident12 Ų1251.2 Ų51.26%0.06329%0.29CS..EExtended strand (participates in β ladder)trans-109.7121.4-179177.463.6000109.7L107 L170 G173 Y175 H201 A202 N203 I204L105-L107 HydrophobicContact CD1-CD2 4.16Å; L105-L107 HydrophobicContact CD1-CG 4.35Å; L105-L107 HydrophobicContact CD2-CD1 4.5Å; L105-L107 HydrophobicContact CG-CG 4.34Å; L105-L170 HydrophobicContact CD1-CB 4.14Å; L105-L170 HydrophobicContact CD2-CB 4.36Å; L105-G173 WeakPolarHBondContact CA-O 3.08Å; L105-Y175 HydrophobicContact CD1-CD2 3.79Å; L105-Y175 HydrophobicContact CD1-CE2 3.64Å; L105-H201 HydrophobicContact CD2-CB 4.29Å; L105-A202 HydrophobicContact CD2-CB 4.14Å; L105-A202 HydrophobicContact CG-CB 4.06Å; L105-N203 PolarHBondContact N-OD1 2.74Å; L105-N203 VanDerWaalsContact N-OD1 3.15Å; L105-N203 PolarHBondContact O-N 2.96Å; L105-I204 PolarHBondContact O-N 3.27Å
106A92.3Very high84.6Confident1 Ų150.5 Ų50.51%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-123.9138.3172.400000111.2L87 G173 I174 Y175 I204L87-A106 HydrophobicContact CD2-CB 3.36Å; A106-G173 PolarHBondContact N-O 3.12Å; A106-I174 HydrophobicContact CB-CB 4.44Å; A106-I174 HydrophobicContact CB-CG1 4Å; A106-I174 HydrophobicContact CB-CG2 4.3Å; A106-Y175 PolarHBondContact O-N 2.98Å; A106-I204 VanDerWaalsContact CA-O 3.31Å; A106-I204 WeakPolarHBondContact CA-O 3.49Å; A106-I204 HydrophobicContact CB-CB 4.07Å
107L92.1Very high84.8Confident1 Ų143.4 Ų43.41%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-132.4134.8-174.4-62.6167.1000110.6L105 L170 Y175 L180 A198 A202 I204 V205 V206L105-L107 HydrophobicContact CD1-CD2 4.16Å; L105-L107 HydrophobicContact CD1-CG 4.35Å; L105-L107 HydrophobicContact CD2-CD1 4.5Å; L105-L107 HydrophobicContact CG-CG 4.34Å; L107-L170 HydrophobicContact CD2-CD1 3.68Å; L107-Y175 HydrophobicContact CD2-CD2 3.99Å; L107-Y175 HydrophobicContact CD2-CG 4.45Å; L107-L180 HydrophobicContact CD2-CD2 4.2Å; L107-A198 VanDerWaalsContact CD1-C 3.45Å; L107-A198 HydrophobicContact CD1-CB 3.49Å; L107-A198 VanDerWaalsContact CD1-CB 3.49Å; L107-A198 WeakPolarHBondContact CD1-O 2.85Å; L107-A198 HydrophobicContact CD2-CB 4.39Å; L107-A202 HydrophobicContact CD1-CB 3.59Å; L107-A202 HydrophobicContact CG-CB 4.09Å; L107-I204 PolarHBondContact N-O 2.97Å; L107-V205 WeakPolarHBondContact O-CA 3.35Å; L107-V206 PolarHBondContact O-N 3.46Å
108S92.4Very high85Confident0 Ų040.8 Ų40.80%024%0.241CC..EExtended strand (participates in β ladder)trans-86.9137.2156.951.50000111.1Y175 N176 L177 L180 V206S108-Y175 PolarHBondContact N-O 3.48Å; S108-Y175 PolarHBondContact OG-O 3.26Å; S108-N176 VanDerWaalsContact OG-C 3.26Å; S108-N176 WeakPolarHBondContact OG-CA 3.4Å; S108-L177 WeakPolarHBondContact OG-CD2 3.14Å; S108-L177 PolarHBondContact OG-N 2.92Å; S108-L177 VanDerWaalsContact OG-N 3.11Å; S108-L180 WeakPolarHBondContact O-CD1 3.48Å; S108-V206 WeakPolarHBondContact CA-O 3.34Å
109L88.8Confident85.4Confident7 Ų743.1 Ų43.14%0.03726%0.257CS..  trans-121.1132.8173.3178.878.3000109.9A195 I199 V206 Y207 Y211 V221L109-A195 HydrophobicContact CD1-CB 4.25Å; L109-I199 HydrophobicContact CD1-CD1 4.31Å; L109-I199 HydrophobicContact CD2-CD1 3.7Å; L109-V206 PolarHBondContact N-O 3.01Å; L109-Y207 HydrophobicContact CB-CD1 4.41Å; L109-Y207 HydrophobicContact CD2-CD1 4.05Å; L109-Y207 WeakPolarHBondContact O-CB 3.41Å; L109-Y211 HydrophobicContact CD2-CD1 4.07Å; L109-Y211 HydrophobicContact CD2-CE1 4.27Å; L109-V221 HydrophobicContact CD2-CG1 4.35Å; L109-V221 HydrophobicContact CD2-CG2 4.39Å
110S88.9Confident85.9Confident7 Ų745.3 Ų45.35%0.04925%0.248CC..  trans-141.1-167177.6-162.70000110.8N114 Y211S110-N114 PolarHBondContact OG-ND2 3.25Å; S110-Y211 PolarHBondContact O-OH 2.82Å
111S87.1Confident86.7Confident39 Ų3939 Ų3927%0.27322%0.218SC..  trans-75.3162.8-179.467.90000112.7K113 N114 L115 Y211S111-K113 PolarHBondContact O-N 3.12Å; S111-N114 PolarHBondContact O-N 3.46Å; S111-L115 PolarHBondContact O-N 3.34Å; S111-Y211 WeakPolarHBondContact CA-OH 3.29Å; S111-Y211 PolarHBondContact N-OH 3.19Å; S111-Y211 VanDerWaalsContact N-OH 3.12Å
112R88.3Confident88Confident27 Ų2738.2 Ų38.210%0.10221%0.207CC..Hα-helixtrans-56.4-34.1174.4-63.8-171.7-172.4163.2-3.3111.8N114 L115 C116 V130 D131 Y192R112-N114 PolarHBondContact O-N 3.12Å; R112-L115 PolarHBondContact O-N 3Å; R112-C116 WeakPolarHBondContact O-CB 3.4Å; R112-C116 PolarHBondContact O-N 3.25Å; R112-V130 HydrophobicContact CB-CG1 3.86Å; R112-D131 VanDerWaalsContact CD-OD1 3.26Å; R112-D131 WeakPolarHBondContact CD-OD1 2.87Å; R112-D131 IonicContact NE-OD1 3.01Å; R112-D131 PolarHBondContact NH1-O 3.22Å; R112-Y192 HydrophobicContact CG-CD1 4.04Å; R112-Y192 HydrophobicContact CG-CD2 3.81Å; R112-Y192 HydrophobicContact CG-CE1 3.89Å; R112-Y192 HydrophobicContact CG-CE2 3.65Å; R112-Y192 HydrophobicContact CG-CG 4Å
113K88.6Confident89.1Confident107 Ų10740.4 Ų40.447%0.46523%0.226SC..Hα-helixtrans-54.1-37.6174.7179176.5173171.70112.6S111 R125S111-K113 PolarHBondContact O-N 3.12Å; K113-R125 WeakPolarHBondContact CE-O 3.28Å; K113-R125 PolarHBondContact NZ-O 3.33Å
114N89.2Confident89.7Confident44 Ų4436 Ų3624%0.23520%0.202CC..Hα-helixtrans-94.3-6.9-175.6-64.7-15000113.6S110 S111 R112 L177 K181S110-N114 PolarHBondContact OG-ND2 3.25Å; S111-N114 PolarHBondContact O-N 3.46Å; R112-N114 PolarHBondContact O-N 3.12Å; N114-L177 HydrophobicContact CB-CD1 4.46Å; N114-K181 WeakPolarHBondContact O-CE 3.08Å; N114-K181 PolarHBondContact O-NZ 2.88Å
115L91.3Very high89.7Confident0 Ų045 Ų450%024%0.236CC..Hα-helixtrans-125.9-5.3-176.7-73.1171.9000113.6S111 R112 L177 L180 P191 Y192 A195S111-L115 PolarHBondContact O-N 3.34Å; R112-L115 PolarHBondContact O-N 3Å; L115-L177 HydrophobicContact CD1-CD2 4.4Å; L115-L177 HydrophobicContact CD2-CB 4.39Å; L115-L177 HydrophobicContact CD2-CD2 3.92Å; L115-L177 HydrophobicContact CG-CD2 4.23Å; L115-L180 HydrophobicContact CD2-CB 4.13Å; L115-L180 HydrophobicContact CD2-CD1 4.23Å; L115-P191 HydrophobicContact CD2-CB 4.41Å; L115-P191 WeakPolarHBondContact O-CG 3.43Å; L115-Y192 HydrophobicContact CD1-CD2 4.27Å; L115-A195 HydrophobicContact CD1-CB 4.5Å
116C92.7Very high89.4Confident21 Ų2151.1 Ų51.114%0.14226%0.262CS..  trans-73.4136.9178.6-1670000111.4R112R112-C116 WeakPolarHBondContact O-CB 3.4Å; R112-C116 PolarHBondContact O-N 3.25Å
117I92.3Very high88.9Confident21 Ų2152.5 Ų52.511%0.10828%0.277CS..  trans-114.3-6.1177.157.3172.7000113F157 K181 R185 W189 P191I117-F157 HydrophobicContact CD1-CB 4.27Å; I117-F157 HydrophobicContact CD1-CD1 3.32Å; I117-F157 HydrophobicContact CD1-CD2 4.19Å; I117-F157 HydrophobicContact CD1-CE1 3.52Å; I117-F157 HydrophobicContact CD1-CE2 4.36Å; I117-F157 HydrophobicContact CD1-CG 3.67Å; I117-F157 HydrophobicContact CD1-CZ 4.04Å; I117-F157 HydrophobicContact CG1-CD1 4.06Å; I117-F157 HydrophobicContact CG1-CD2 4Å; I117-F157 HydrophobicContact CG1-CE1 4.19Å; I117-F157 HydrophobicContact CG1-CE2 4.14Å; I117-F157 HydrophobicContact CG1-CG 3.96Å; I117-F157 HydrophobicContact CG1-CZ 4.22Å; I117-K181 HydrophobicContact CG2-CB 4.22Å; I117-K181 HydrophobicContact CG2-CG 4.26Å; I117-R185 HydrophobicContact CG2-CG 4.28Å; I117-W189 WeakPolarHBondContact CD1-O 3.33Å; I117-P191 HydrophobicContact CD1-CG 4.21Å; I117-P191 HydrophobicContact CG1-CG 4.39Å; I117-P191 HydrophobicContact CG2-CG 3.79Å
118H91.6Very high88.4Confident27 Ų2760 Ų6013%0.12531%0.309CS..  trans-71.3125.1-179.3-170.6-81.7000110E120 V121 S122 F157H118-E120 VanDerWaalsContact C-N 3.34Å; H118-E120 IonicContact CE1-OE2 3.75Å; H118-E120 PolarHBondContact ND1-N 3.15Å; H118-E120 PolarHBondContact O-N 2.8Å; H118-V121 HydrophobicContact CB-CB 4.18Å; H118-V121 HydrophobicContact CB-CG2 4.16Å; H118-V121 PolarHBondContact O-N 2.81Å; H118-S122 VanDerWaalsContact O-CB 3.28Å; H118-S122 WeakPolarHBondContact O-CB 3.41Å; H118-S122 PolarHBondContact O-N 3.28Å; H118-F157 HydrophobicContact CB-CD2 4.43Å; H118-F157 HydrophobicContact CB-CE2 4.42Å
119P88.8Confident88Confident97 Ų9764.3 Ų64.363%0.6333%0.329SS*.Hα-helixtrans-61.7-38.9-168.522.7-33.4000113.3V121P119-V121 VanDerWaalsContact C-N 3.33Å; P119-V121 PolarHBondContact O-N 2.59Å
120E88.9Confident88Confident117 Ų11764 Ų6455%0.54733%0.328SS..Hα-helixtrans-71.3-27.3178.4-58.4178.5-17900113.6H118 S123H118-E120 VanDerWaalsContact C-N 3.34Å; H118-E120 IonicContact CE1-OE2 3.75Å; H118-E120 PolarHBondContact ND1-N 3.15Å; H118-E120 PolarHBondContact O-N 2.8Å; E120-S123 PolarHBondContact O-OG 3.44Å; E120-S123 VanDerWaalsContact O-OG 3.12Å
121V88.8Confident87.9Confident2 Ų266.4 Ų66.41%0.01234%0.34CS..Hα-helixtrans-92.6-37.5-175.9-179.30000110H118 P119 S123 L124 V130 K133 L137H118-V121 HydrophobicContact CB-CB 4.18Å; H118-V121 HydrophobicContact CB-CG2 4.16Å; H118-V121 PolarHBondContact O-N 2.81Å; P119-V121 VanDerWaalsContact C-N 3.33Å; P119-V121 PolarHBondContact O-N 2.59Å; V121-S123 PolarHBondContact O-N 3.15Å; V121-L124 WeakPolarHBondContact O-CB 3.41Å; V121-L124 PolarHBondContact O-N 3.08Å; V121-V130 HydrophobicContact CG1-CB 4.36Å; V121-V130 HydrophobicContact CG1-CG1 3.81Å; V121-K133 HydrophobicContact CG2-CB 4.28Å; V121-K133 HydrophobicContact CG2-CG 3.77Å; V121-L137 HydrophobicContact CG2-CD1 3.9Å
122S88.7Confident87.7Confident71 Ų7164.8 Ų64.850%0.49733%0.329SS..Hα-helixtrans-67-20.2179.4-175.80000113.3H118 L124H118-S122 VanDerWaalsContact O-CB 3.28Å; H118-S122 WeakPolarHBondContact O-CB 3.41Å; H118-S122 PolarHBondContact O-N 3.28Å; S122-L124 VanDerWaalsContact C-N 3.31Å
123S89.3Confident87.6Confident87 Ų8767.3 Ų67.361%0.60834%0.341SS*.THydrogen-bonded Turntrans-77.4-17.5176.661.60000113.2E120 V121E120-S123 PolarHBondContact O-OG 3.44Å; E120-S123 VanDerWaalsContact O-OG 3.12Å; V121-S123 PolarHBondContact O-N 3.15Å
124L88.6Confident87.6Confident52 Ų5263 Ų6327%0.27232%0.324SS..  trans-73.7134.3-179.8-61.2172000110.9V121 S122 E129 V130 K133V121-L124 WeakPolarHBondContact O-CB 3.41Å; V121-L124 PolarHBondContact O-N 3.08Å; S122-L124 VanDerWaalsContact C-N 3.31Å; L124-E129 HydrophobicContact CD1-CB 4.23Å; L124-V130 HydrophobicContact CB-CG2 3.76Å; L124-K133 HydrophobicContact CD1-CB 4Å; L124-K133 HydrophobicContact CD1-CG 4.44Å
125R84.2Confident87.3Confident206 Ų20661.8 Ų61.878%0.77732%0.317SS*.  trans-84.4-32.9-175.3-66-175.2178.5-172.8-0.8113.3K113K113-R125 WeakPolarHBondContact CE-O 3.28Å; K113-R125 PolarHBondContact NZ-O 3.33Å
126F83.8Confident86.9Confident139 Ų13962.6 Ų62.661%0.6132%0.323SS*.SBendtrans-96132.6-173.2-62.5-70.9000112K128 E129 V130F126-K128 VanDerWaalsContact C-N 3.33Å; F126-K128 PolarHBondContact O-N 3.42Å; F126-E129 HydrophobicContact CB-CB 4.46Å; F126-E129 HydrophobicContact CB-CG 4.15Å; F126-E129 PolarHBondContact O-N 2.87Å; F126-V130 WeakPolarHBondContact O-CG2 3.19Å; F126-V130 PolarHBondContact O-N 2.85Å; F126-V130 VanDerWaalsContact O-N 3.1Å
127G82.1Confident86.6Confident31 Ų3161.9 Ų61.932%0.3232%0.318SS..Hα-helixtrans-58.8-39.3-177.800000113.8E129 V130 D131G127-E129 VanDerWaalsContact C-N 3.32Å; G127-E129 PolarHBondContact O-N 3.24Å; G127-V130 WeakPolarHBondContact O-CB 3.38Å; G127-V130 PolarHBondContact O-N 3.43Å; G127-D131 PolarHBondContact O-N 3.27Å
128K82.3Confident86.2Confident159 Ų15961.1 Ų61.169%0.69131%0.314SS*.Hα-helixtrans-63.9-35.8179-67.8-176.7178.9178.60113.1F126 G132F126-K128 VanDerWaalsContact C-N 3.33Å; F126-K128 PolarHBondContact O-N 3.42Å; K128-G132 PolarHBondContact O-N 2.87Å
129E84.9Confident85.6Confident89 Ų8959.9 Ų59.942%0.41631%0.308SS..Hα-helixtrans-73-41.3177.4-65172.5-177.200110.6L124 F126 G127 D131 G132 K133L124-E129 HydrophobicContact CD1-CB 4.23Å; F126-E129 HydrophobicContact CB-CB 4.46Å; F126-E129 HydrophobicContact CB-CG 4.15Å; F126-E129 PolarHBondContact O-N 2.87Å; G127-E129 VanDerWaalsContact C-N 3.32Å; G127-E129 PolarHBondContact O-N 3.24Å; E129-D131 VanDerWaalsContact C-N 3.31Å; E129-D131 PolarHBondContact O-N 2.95Å; E129-G132 PolarHBondContact O-N 2.96Å; E129-K133 WeakPolarHBondContact O-CB 3.5Å; E129-K133 PolarHBondContact O-N 3.41Å
130V88.4Confident85Confident2 Ų256.6 Ų56.61%0.01229%0.288CS..Hα-helixtrans-56.7-47.1171.9169.40000110.6R112 V121 L124 F126 G127 C134R112-V130 HydrophobicContact CB-CG1 3.86Å; V121-V130 HydrophobicContact CG1-CB 4.36Å; V121-V130 HydrophobicContact CG1-CG1 3.81Å; L124-V130 HydrophobicContact CB-CG2 3.76Å; F126-V130 WeakPolarHBondContact O-CG2 3.19Å; F126-V130 PolarHBondContact O-N 2.85Å; F126-V130 VanDerWaalsContact O-N 3.1Å; G127-V130 WeakPolarHBondContact O-CB 3.38Å; G127-V130 PolarHBondContact O-N 3.43Å; V130-C134 WeakPolarHBondContact O-CB 3.35Å; V130-C134 PolarHBondContact O-N 3.32Å
131D85.3Confident84.4Confident57 Ų5752.6 Ų52.631%0.30527%0.268SS..Hα-helixtrans-64.5-45.4179.8-67.3-27.1000111.6R112 G127 E129 C134 H135 Y304R112-D131 VanDerWaalsContact CD-OD1 3.26Å; R112-D131 WeakPolarHBondContact CD-OD1 2.87Å; R112-D131 IonicContact NE-OD1 3.01Å; R112-D131 PolarHBondContact NH1-O 3.22Å; G127-D131 PolarHBondContact O-N 3.27Å; E129-D131 VanDerWaalsContact C-N 3.31Å; E129-D131 PolarHBondContact O-N 2.95Å; D131-C134 PolarHBondContact O-N 3.35Å; D131-H135 PolarHBondContact O-N 3.16Å; D131-H135 VanDerWaalsContact O-N 3.11Å; D131-Y304 PolarHBondContact O-OH 2.73Å
132G84.1Confident83.9Confident4 Ų453.2 Ų53.24%0.04127%0.271CS..Hα-helixtrans-57.3-57.2175.800000111.7K128 E129 C134 H135 S136K128-G132 PolarHBondContact O-N 2.87Å; E129-G132 PolarHBondContact O-N 2.96Å; G132-C134 VanDerWaalsContact C-N 3.31Å; G132-C134 PolarHBondContact O-N 3.02Å; G132-H135 WeakPolarHBondContact O-CA 3.43Å; G132-H135 WeakPolarHBondContact O-CB 3.43Å; G132-H135 PolarHBondContact O-N 3.05Å; G132-S136 PolarHBondContact O-N 3.28Å; G132-S136 PolarHBondContact O-OG 2.81Å
133K86.2Confident83.4Confident80 Ų8051.5 Ų51.535%0.34825%0.253SS..Hα-helixtrans-63.4-36.4-178.6-169.266176.9-178.10112.8V121 L124 E129 H135 S136 L137V121-K133 HydrophobicContact CG2-CB 4.28Å; V121-K133 HydrophobicContact CG2-CG 3.77Å; L124-K133 HydrophobicContact CD1-CB 4Å; L124-K133 HydrophobicContact CD1-CG 4.44Å; E129-K133 WeakPolarHBondContact O-CB 3.5Å; E129-K133 PolarHBondContact O-N 3.41Å; K133-H135 VanDerWaalsContact C-N 3.25Å; K133-H135 PolarHBondContact O-N 2.8Å; K133-S136 PolarHBondContact O-N 3.49Å; K133-L137 WeakPolarHBondContact O-CG 3.47Å; K133-L137 PolarHBondContact O-N 3.13Å
134C87.4Confident82.8Confident17 Ų1750 Ų5012%0.11525%0.247CC..Hα-helixtrans-59.5-39.3173.9178.50000111.1V130 D131 G132 L137 T138V130-C134 WeakPolarHBondContact O-CB 3.35Å; V130-C134 PolarHBondContact O-N 3.32Å; D131-C134 PolarHBondContact O-N 3.35Å; G132-C134 VanDerWaalsContact C-N 3.31Å; G132-C134 PolarHBondContact O-N 3.02Å; C134-L137 PolarHBondContact O-N 2.89Å; C134-T138 WeakPolarHBondContact O-CB 3.45Å; C134-T138 WeakPolarHBondContact O-CG2 3.29Å; C134-T138 PolarHBondContact O-N 3.26Å; C134-T138 PolarHBondContact O-OG1 3.03Å
135H83Confident82.3Confident19 Ų1951.1 Ų51.19%0.08825%0.25CS..Hα-helixtrans-71.5-41.6176.1-178.864.5000113.7D131 G132 K133 L137 T138 A139 Y304 I391D131-H135 PolarHBondContact O-N 3.16Å; D131-H135 VanDerWaalsContact O-N 3.11Å; G132-H135 WeakPolarHBondContact O-CA 3.43Å; G132-H135 WeakPolarHBondContact O-CB 3.43Å; G132-H135 PolarHBondContact O-N 3.05Å; K133-H135 VanDerWaalsContact C-N 3.25Å; K133-H135 PolarHBondContact O-N 2.8Å; H135-L137 PolarHBondContact O-N 3.47Å; H135-T138 PolarHBondContact O-N 2.87Å; H135-A139 VanDerWaalsContact CE1-CB 3.47Å; H135-A139 WeakPolarHBondContact CE1-CB 3.44Å; H135-A139 WeakPolarHBondContact O-CB 3.48Å; H135-A139 PolarHBondContact O-N 2.83Å; H135-Y304 HydrophobicContact CB-CE2 3.41Å; H135-Y304 VanDerWaalsContact CB-CE2 3.41Å; H135-Y304 WeakPolarHBondContact CB-OH 3.42Å; H135-Y304 AromaticContact CD2-CE2 3.74Å; H135-Y304 AromaticContact CE1-CD2 3.71Å; H135-Y304 AromaticContact CE1-CE2 3.58Å; H135-Y304 AromaticContact CG-CE2 3.13Å; H135-Y304 AromaticContact CG-CZ 3.61Å; H135-Y304 AromaticContact ND1-CD2 3.63Å; H135-Y304 AromaticContact ND1-CE2 3.08Å; H135-Y304 WeakPolarHBondContact ND1-CE2 3.48Å; H135-Y304 AromaticContact NE2-CE2 3.97Å; H135-I391 WeakPolarHBondContact CD2-CD1 3.48Å; H135-I391 VanDerWaalsContact NE2-CD1 3.32Å; H135-I391 WeakPolarHBondContact NE2-CD1 3.47Å
136S84.1Confident82Confident16 Ų1646 Ų4611%0.11223%0.231CC..Hα-helixtrans-56.6-15.6173.4-29.50000112.3G132 K133 I142 A389 D390G132-S136 PolarHBondContact O-N 3.28Å; G132-S136 PolarHBondContact O-OG 2.81Å; K133-S136 PolarHBondContact O-N 3.49Å; S136-I142 WeakPolarHBondContact O-CD1 3.37Å; S136-A389 PolarHBondContact OG-O 3.15Å; S136-A389 VanDerWaalsContact OG-O 3.11Å; S136-D390 PolarHBondContact OG-OD1 3.26Å
137L85Confident81.6Confident7 Ų747.6 Ų47.64%0.03724%0.24CC..Hα-helixtrans-108.3-14.6176.4-65175000115V121 K133 C134 H135 P153 V154 C155V121-L137 HydrophobicContact CG2-CD1 3.9Å; K133-L137 WeakPolarHBondContact O-CG 3.47Å; K133-L137 PolarHBondContact O-N 3.13Å; C134-L137 PolarHBondContact O-N 2.89Å; H135-L137 PolarHBondContact O-N 3.47Å; L137-P153 HydrophobicContact CD2-CB 4.14Å; L137-V154 WeakPolarHBondContact O-CA 3.26Å; L137-C155 HydrophobicContact CB-CB 4.11Å; L137-C155 PolarHBondContact O-N 3.5Å; L137-C155 VanDerWaalsContact O-N 3.08Å
138T84.3Confident81.2Confident5 Ų551 Ų513%0.03126%0.259CS..Hα-helixtrans-124-6.3-172.257.20000114.3C134 H135 R143 C155 Y158C134-T138 WeakPolarHBondContact O-CB 3.45Å; C134-T138 WeakPolarHBondContact O-CG2 3.29Å; C134-T138 PolarHBondContact O-N 3.26Å; C134-T138 PolarHBondContact O-OG1 3.03Å; H135-T138 PolarHBondContact O-N 2.87Å; T138-R143 VanDerWaalsContact O-CD 3.31Å; T138-R143 WeakPolarHBondContact O-CD 3.34Å; T138-C155 HydrophobicContact CG2-CB 3.83Å; T138-Y158 HydrophobicContact CG2-CD1 3.92Å; T138-Y158 HydrophobicContact CG2-CG 3.94Å
139A79.1Confident81Confident0 Ų048.6 Ų48.60%025%0.254CS..  trans-59.6137.8-178.900000112.5H135 Y141 I142 R143H135-A139 VanDerWaalsContact CE1-CB 3.47Å; H135-A139 WeakPolarHBondContact CE1-CB 3.44Å; H135-A139 WeakPolarHBondContact O-CB 3.48Å; H135-A139 PolarHBondContact O-N 2.83Å; A139-Y141 HydrophobicContact CB-CD1 3.76Å; A139-Y141 HydrophobicContact CB-CE1 3.34Å; A139-Y141 PolarHBondContact O-N 3.36Å; A139-Y141 VanDerWaalsContact O-N 3.15Å; A139-I142 HydrophobicContact CB-CD1 4.1Å; A139-I142 HydrophobicContact CB-CG1 4.15Å; A139-I142 WeakPolarHBondContact O-CB 3.49Å; A139-I142 PolarHBondContact O-N 3.04Å; A139-R143 WeakPolarHBondContact O-CG 3.23Å; A139-R143 PolarHBondContact O-N 3.33Å; A139-R143 VanDerWaalsContact O-N 3.08Å
140S75.9Confident80.7Confident29 Ų2949.6 Ų49.620%0.20327%0.268CS..Hα-helixtrans-60.7-31-173.3-65.60000113.4R143 A144 T301 D302S140-R143 PolarHBondContact O-N 2.99Å; S140-A144 VanDerWaalsContact O-CB 3.32Å; S140-A144 WeakPolarHBondContact O-CB 3.35Å; S140-A144 PolarHBondContact O-N 3.1Å; S140-T301 PolarHBondContact OG-OG1 3.21Å; S140-D302 WeakPolarHBondContact CB-OD1 3.45Å; S140-D302 WeakPolarHBondContact CB-OD2 3.31Å; S140-D302 VanDerWaalsContact N-CG 3.33Å; S140-D302 PolarHBondContact N-OD1 3.47Å; S140-D302 PolarHBondContact N-OD2 3.31Å; S140-D302 PolarHBondContact OG-OD1 3.31Å; S140-D302 PolarHBondContact OG-OD2 3.26Å
141Y76.3Confident80.3Confident32 Ų3257.2 Ų57.213%0.12531%0.309CS..Hα-helixtrans-70-35.2176.665.4-91.1000112.2A139 A144 Q145 E387 I388 A389A139-Y141 HydrophobicContact CB-CD1 3.76Å; A139-Y141 HydrophobicContact CB-CE1 3.34Å; A139-Y141 PolarHBondContact O-N 3.36Å; A139-Y141 VanDerWaalsContact O-N 3.15Å; Y141-A144 PolarHBondContact O-N 2.98Å; Y141-Q145 WeakPolarHBondContact O-CB 3.21Å; Y141-Q145 WeakPolarHBondContact O-CG 3.36Å; Y141-Q145 PolarHBondContact O-N 2.97Å; Y141-E387 HydrophobicContact CD1-CB 4.49Å; Y141-E387 HydrophobicContact CD1-CG 4.34Å; Y141-E387 HydrophobicContact CD2-CB 3.68Å; Y141-E387 HydrophobicContact CD2-CG 3.8Å; Y141-E387 HydrophobicContact CE2-CB 3.71Å; Y141-E387 HydrophobicContact CE2-CG 4.34Å; Y141-E387 WeakPolarHBondContact CE2-O 3.44Å; Y141-E387 HydrophobicContact CG-CB 4.09Å; Y141-E387 HydrophobicContact CG-CG 3.8Å; Y141-E387 PolarHBondContact OH-O 2.99Å; Y141-I388 PolarHBondContact OH-O 2.95Å; Y141-A389 VanDerWaalsContact OH-CA 3.23Å; Y141-A389 WeakPolarHBondContact OH-CA 3.38Å; Y141-A389 PolarHBondContact OH-N 2.84Å
142I78.3Confident80.1Confident15 Ų1556.7 Ų56.78%0.07731%0.305CS..Hα-helixtrans-69-41.1175.7-56.9-179.6000109.6S136 A139 Q145 R146 V154S136-I142 WeakPolarHBondContact O-CD1 3.37Å; A139-I142 HydrophobicContact CB-CD1 4.1Å; A139-I142 HydrophobicContact CB-CG1 4.15Å; A139-I142 WeakPolarHBondContact O-CB 3.49Å; A139-I142 PolarHBondContact O-N 3.04Å; I142-Q145 PolarHBondContact O-N 3.36Å; I142-R146 PolarHBondContact O-N 2.95Å; I142-V154 HydrophobicContact CG2-CG1 4.06Å
143R78.4Confident79.9Confident35 Ų3560.7 Ų60.713%0.13233%0.331CS..Hα-helixtrans-63-43174.9-59.3-179.468.2-151.1-5.7111.8T138 A139 S140 R146 H147 E159 D162T138-R143 VanDerWaalsContact O-CD 3.31Å; T138-R143 WeakPolarHBondContact O-CD 3.34Å; A139-R143 WeakPolarHBondContact O-CG 3.23Å; A139-R143 PolarHBondContact O-N 3.33Å; A139-R143 VanDerWaalsContact O-N 3.08Å; S140-R143 PolarHBondContact O-N 2.99Å; R143-R146 WeakPolarHBondContact O-CB 3.25Å; R143-R146 PolarHBondContact O-N 3.33Å; R143-H147 PolarHBondContact O-CD2 3.25Å; R143-E159 WeakPolarHBondContact CD-OE1 3.3Å; R143-E159 VanDerWaalsContact CG-OE1 3.3Å; R143-E159 WeakPolarHBondContact CG-OE1 3.38Å; R143-E159 IonicContact CZ-OE1 2.74Å; R143-E159 IonicContact CZ-OE2 3.8Å; R143-E159 IonicContact NE-OE1 2.68Å; R143-E159 PolarHBondContact NE-OE1 3.29Å; R143-E159 IonicContact NE-OE2 3.63Å; R143-E159 PolarHBondContact NE-OE2 3.09Å; R143-E159 IonicContact NH2-OE1 3.65Å; R143-E159 IonicContact NH2-OE2 3.86Å; R143-E159 PolarHBondContact NH2-OE2 2.59Å; R143-D162 IonicContact CZ-OD2 2.7Å; R143-D162 VanDerWaalsContact CZ-OD2 3.3Å; R143-D162 IonicContact NH1-OD2 2.67Å; R143-D162 PolarHBondContact NH1-OD2 3.42Å; R143-D162 IonicContact NH2-OD2 3.89Å; R143-D162 PolarHBondContact NH2-OD2 2.81Å
144A78.1Confident79.8Confident57 Ų5757.6 Ų57.647%0.47132%0.319SS..Hα-helixtrans-62.4-45.1174.600000111.7S140 Y141 R146 H147S140-A144 VanDerWaalsContact O-CB 3.32Å; S140-A144 WeakPolarHBondContact O-CB 3.35Å; S140-A144 PolarHBondContact O-N 3.1Å; Y141-A144 PolarHBondContact O-N 2.98Å; A144-R146 VanDerWaalsContact C-N 3.26Å; A144-R146 PolarHBondContact O-N 2.58Å; A144-H147 WeakPolarHBondContact O-CB 3.48Å; A144-H147 PolarHBondContact O-N 3.21Å
145Q77.4Confident79.9Confident74 Ų7457.4 Ų57.435%0.34632%0.317SS..Hα-helixtrans-64.7-29.5177-72.7175.316.200112.5Y141 I142 H147 S148 N149 L152 E387Y141-Q145 WeakPolarHBondContact O-CB 3.21Å; Y141-Q145 WeakPolarHBondContact O-CG 3.36Å; Y141-Q145 PolarHBondContact O-N 2.97Å; I142-Q145 PolarHBondContact O-N 3.36Å; Q145-H147 VanDerWaalsContact C-N 3.27Å; Q145-H147 PolarHBondContact O-N 3Å; Q145-S148 CarbonylContact O-C 3.54Å; Q145-S148 PolarHBondContact O-N 3.29Å; Q145-N149 PolarHBondContact O-N 3.43Å; Q145-L152 HydrophobicContact CB-CD1 3.63Å; Q145-E387 PolarHBondContact NE2-OE2 3.32Å
146R78.1Confident80.1Confident98 Ų9864.5 Ų64.537%0.3734%0.343SS..Hα-helixtrans-62.7-31.8174.8-176.9178.6174.6106.4-10.5113I142 R143 A144 S148 N149 L152 V154I142-R146 PolarHBondContact O-N 2.95Å; R143-R146 WeakPolarHBondContact O-CB 3.25Å; R143-R146 PolarHBondContact O-N 3.33Å; A144-R146 VanDerWaalsContact C-N 3.26Å; A144-R146 PolarHBondContact O-N 2.58Å; R146-S148 PolarHBondContact O-N 3.47Å; R146-N149 WeakPolarHBondContact CA-O 3.43Å; R146-N149 CarbonylContact O-C 3.56Å; R146-N149 PolarHBondContact O-N 2.79Å; R146-L152 PolarHBondContact NH1-O 3.29Å; R146-V154 HydrophobicContact CB-CG1 4.32Å; R146-V154 HydrophobicContact CG-CG1 4.46Å
147H74.4Confident80.4Confident174 Ų17466 Ų6681%0.80635%0.348SS*.Hα-helixtrans-61.4-31.5173.2-73.4-73.3000112.1R143 A144 Q145R143-H147 PolarHBondContact O-CD2 3.25Å; A144-H147 WeakPolarHBondContact O-CB 3.48Å; A144-H147 PolarHBondContact O-N 3.21Å; Q145-H147 VanDerWaalsContact C-N 3.27Å; Q145-H147 PolarHBondContact O-N 3Å
148S75.3Confident80.7Confident103 Ų10365.9 Ų65.972%0.7235%0.347SS*.Hα-helixtrans-90.8-31.6176.7-54.30000113.2Q145 R146Q145-S148 CarbonylContact O-C 3.54Å; Q145-S148 PolarHBondContact O-N 3.29Å; R146-S148 PolarHBondContact O-N 3.47Å
149N78.3Confident80.8Confident108 Ų10867.8 Ų67.858%0.57836%0.355SS*.  trans-129.798.6-178-101.1-18.2000111.1Q145 R146 N151 L152Q145-N149 PolarHBondContact O-N 3.43Å; R146-N149 WeakPolarHBondContact CA-O 3.43Å; R146-N149 CarbonylContact O-C 3.56Å; R146-N149 PolarHBondContact O-N 2.79Å; N149-N151 PolarHBondContact O-N 2.98Å; N149-N151 VanDerWaalsContact O-N 3.08Å; N149-L152 HydrophobicContact CB-CD1 3.75Å; N149-L152 HydrophobicContact CB-CG 4.39Å; N149-L152 PolarHBondContact O-N 3.41Å
150P78Confident81.2Confident110 Ų11070.6 Ų70.671%0.71437%0.368SS*.THydrogen-bonded Turntrans-67.8-12.7-173.923.2-31.8000114.9
151N80.4Confident81.8Confident161 Ų16169.5 Ų69.586%0.86136%0.36SS*.THydrogen-bonded Turntrans-88.51.6-178.1-153.226000114.3N149N149-N151 PolarHBondContact O-N 2.98Å; N149-N151 VanDerWaalsContact O-N 3.08Å
152L80.7Confident82.2Confident46 Ų4670 Ų7024%0.24137%0.365CS..SBendtrans-72.8135.2177.7-86154.7000111.6Q145 R146 N149 V154Q145-L152 HydrophobicContact CB-CD1 3.63Å; R146-L152 PolarHBondContact NH1-O 3.29Å; N149-L152 HydrophobicContact CB-CD1 3.75Å; N149-L152 HydrophobicContact CB-CG 4.39Å; N149-L152 PolarHBondContact O-N 3.41Å; L152-V154 PolarHBondContact O-N 2.87Å
153P80.4Confident82.4Confident89 Ų8972.7 Ų72.758%0.57839%0.389SS*.  trans-71.3121179.929.5-33000110.2L137L137-P153 HydrophobicContact CD2-CB 4.14Å
154V84.3Confident82.7Confident15 Ų1574.7 Ų74.79%0.09141%0.406CS..  trans-132161.7170.2-52.90000110L137 I142 R146 L152 R156 E159L137-V154 WeakPolarHBondContact O-CA 3.26Å; I142-V154 HydrophobicContact CG2-CG1 4.06Å; R146-V154 HydrophobicContact CB-CG1 4.32Å; R146-V154 HydrophobicContact CG-CG1 4.46Å; L152-V154 PolarHBondContact O-N 2.87Å; V154-R156 PolarHBondContact O-N 2.86Å; V154-R156 VanDerWaalsContact O-N 3.09Å; V154-E159 HydrophobicContact CG2-CG 3.66Å
155C87.6Confident82.5Confident12 Ų1272 Ų728%0.08138%0.383CS..  trans-72.6105.1174.9-168.70000110.7L137 T138 F157 Y158 E159L137-C155 HydrophobicContact CB-CB 4.11Å; L137-C155 PolarHBondContact O-N 3.5Å; L137-C155 VanDerWaalsContact O-N 3.08Å; T138-C155 HydrophobicContact CG2-CB 3.83Å; C155-F157 PolarHBondContact O-N 3.38Å; C155-Y158 PolarHBondContact O-N 3.21Å; C155-Y158 VanDerWaalsContact O-N 3.08Å; C155-E159 PolarHBondContact O-N 2.87Å
156R89.1Confident82.6Confident169 Ų16972.5 Ų72.564%0.63838%0.382SS*.Hα-helixtrans-49.9-43.3174.7-179.6179.2172.1178.1-2.9112.6V154 Y158 E159 E160V154-R156 PolarHBondContact O-N 2.86Å; V154-R156 VanDerWaalsContact O-N 3.09Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 3.34Å; R156-E159 PolarHBondContact O-N 3.34Å; R156-E160 HydrophobicContact CG-CG 4.45Å; R156-E160 IonicContact CZ-OE1 3.63Å; R156-E160 IonicContact NE-OE1 3.05Å; R156-E160 PolarHBondContact NE-OE1 3.44Å; R156-E160 IonicContact NH2-OE1 2.71Å; R156-E160 PolarHBondContact NH2-OE1 3.4Å; R156-E160 WeakPolarHBondContact O-CG 3.21Å; R156-E160 PolarHBondContact O-N 2.82Å
157F90.1Very high82.8Confident47 Ų4775.6 Ų75.621%0.20640%0.4CS..Hα-helixtrans-65.2-31.1-177.6-57.6-74.6000114I117 H118 C155 F161 G188 C190I117-F157 HydrophobicContact CD1-CB 4.27Å; I117-F157 HydrophobicContact CD1-CD1 3.32Å; I117-F157 HydrophobicContact CD1-CD2 4.19Å; I117-F157 HydrophobicContact CD1-CE1 3.52Å; I117-F157 HydrophobicContact CD1-CE2 4.36Å; I117-F157 HydrophobicContact CD1-CG 3.67Å; I117-F157 HydrophobicContact CD1-CZ 4.04Å; I117-F157 HydrophobicContact CG1-CD1 4.06Å; I117-F157 HydrophobicContact CG1-CD2 4Å; I117-F157 HydrophobicContact CG1-CE1 4.19Å; I117-F157 HydrophobicContact CG1-CE2 4.14Å; I117-F157 HydrophobicContact CG1-CG 3.96Å; I117-F157 HydrophobicContact CG1-CZ 4.22Å; H118-F157 HydrophobicContact CB-CD2 4.43Å; H118-F157 HydrophobicContact CB-CE2 4.42Å; C155-F157 PolarHBondContact O-N 3.38Å; F157-F161 WeakPolarHBondContact O-CB 3.33Å; F157-F161 PolarHBondContact O-N 3.05Å; F157-G188 WeakPolarHBondContact CA-O 3.49Å; F157-C190 HydrophobicContact CB-CB 4.18Å; F157-C190 PolarHBondContact O-N 2.86Å
158Y89.6Confident83.1Confident5 Ų570.7 Ų70.72%0.0238%0.383CS..Hα-helixtrans-78.5-42.7177.2179.3-111000111T138 C155 R156 E160 F161 D162 Y193T138-Y158 HydrophobicContact CG2-CD1 3.92Å; T138-Y158 HydrophobicContact CG2-CG 3.94Å; C155-Y158 PolarHBondContact O-N 3.21Å; C155-Y158 VanDerWaalsContact O-N 3.08Å; R156-Y158 VanDerWaalsContact C-N 3.3Å; R156-Y158 PolarHBondContact O-N 3.34Å; Y158-E160 PolarHBondContact O-N 3.35Å; Y158-F161 WeakPolarHBondContact O-CB 3.27Å; Y158-F161 PolarHBondContact O-N 3.23Å; Y158-D162 WeakPolarHBondContact O-CB 3.47Å; Y158-D162 PolarHBondContact O-N 2.87Å; Y158-Y193 HydrophobicContact CD2-CD1 4.44Å; Y158-Y193 AromaticContact CD2-CD2 3.27Å; Y158-Y193 HydrophobicContact CD2-CD2 3.27Å; Y158-Y193 AromaticContact CD2-CE2 3.53Å; Y158-Y193 HydrophobicContact CD2-CE2 3.53Å; Y158-Y193 AromaticContact CD2-CG 3.77Å; Y158-Y193 HydrophobicContact CD2-CG 3.77Å; Y158-Y193 AromaticContact CE2-CD1 3.9Å; Y158-Y193 HydrophobicContact CE2-CD1 3.9Å; Y158-Y193 AromaticContact CE2-CD2 3.57Å; Y158-Y193 HydrophobicContact CE2-CD2 3.57Å; Y158-Y193 HydrophobicContact CE2-CE1 4.03Å; Y158-Y193 AromaticContact CE2-CE2 3.69Å; Y158-Y193 HydrophobicContact CE2-CE2 3.69Å; Y158-Y193 AromaticContact CE2-CG 3.67Å; Y158-Y193 HydrophobicContact CE2-CG 3.67Å; Y158-Y193 AromaticContact CE2-CZ 3.92Å; Y158-Y193 HydrophobicContact CG-CD2 4.33Å; Y158-Y193 HydrophobicContact CG-CE2 4.33Å
159E86.8Confident83.4Confident44 Ų4469.4 Ų69.421%0.20637%0.372CS..Hα-helixtrans-61-44177.2-63.7-57152.500112.3R143 V154 C155 R156 F161 D162 A163R143-E159 WeakPolarHBondContact CD-OE1 3.3Å; R143-E159 VanDerWaalsContact CG-OE1 3.3Å; R143-E159 WeakPolarHBondContact CG-OE1 3.38Å; R143-E159 IonicContact CZ-OE1 2.74Å; R143-E159 IonicContact CZ-OE2 3.8Å; R143-E159 IonicContact NE-OE1 2.68Å; R143-E159 PolarHBondContact NE-OE1 3.29Å; R143-E159 IonicContact NE-OE2 3.63Å; R143-E159 PolarHBondContact NE-OE2 3.09Å; R143-E159 IonicContact NH2-OE1 3.65Å; R143-E159 IonicContact NH2-OE2 3.86Å; R143-E159 PolarHBondContact NH2-OE2 2.59Å; V154-E159 HydrophobicContact CG2-CG 3.66Å; C155-E159 PolarHBondContact O-N 2.87Å; R156-E159 PolarHBondContact O-N 3.34Å; E159-F161 VanDerWaalsContact C-N 3.29Å; E159-F161 PolarHBondContact O-N 3.25Å; E159-D162 PolarHBondContact O-N 3.21Å; E159-A163 WeakPolarHBondContact O-CB 3.26Å; E159-A163 PolarHBondContact O-N 3.1Å
160E87.5Confident83.7Confident59 Ų5964.9 Ų64.928%0.27635%0.348SS..Hα-helixtrans-64.6-35.4176.5-72-179.4-174.800111.9R156 Y158 V164 G188R156-E160 HydrophobicContact CG-CG 4.45Å; R156-E160 IonicContact CZ-OE1 3.63Å; R156-E160 IonicContact NE-OE1 3.05Å; R156-E160 PolarHBondContact NE-OE1 3.44Å; R156-E160 IonicContact NH2-OE1 2.71Å; R156-E160 PolarHBondContact NH2-OE1 3.4Å; R156-E160 WeakPolarHBondContact O-CG 3.21Å; R156-E160 PolarHBondContact O-N 2.82Å; Y158-E160 PolarHBondContact O-N 3.35Å; E160-V164 PolarHBondContact O-N 2.92Å; E160-G188 WeakPolarHBondContact OE2-CA 3.44Å; E160-G188 VanDerWaalsContact OE2-O 3.07Å
161F88.1Confident84.2Confident7 Ų763 Ų633%0.03134%0.336CS..Iπ-helixtrans-69.7-39.7174.3176.1-104.3000112.3F157 Y158 E159 G165 R166 W189 L194 Y197F157-F161 WeakPolarHBondContact O-CB 3.33Å; F157-F161 PolarHBondContact O-N 3.05Å; Y158-F161 WeakPolarHBondContact O-CB 3.27Å; Y158-F161 PolarHBondContact O-N 3.23Å; E159-F161 VanDerWaalsContact C-N 3.29Å; E159-F161 PolarHBondContact O-N 3.25Å; F161-G165 CarbonylContact O-C 3.18Å; F161-G165 WeakPolarHBondContact O-CA 3.42Å; F161-G165 PolarHBondContact O-N 3.06Å; F161-R166 HydrophobicContact CE1-CG 4.49Å; F161-R166 PolarHBondContact O-N 3.12Å; F161-W189 HydrophobicContact CB-CB 4.13Å; F161-W189 HydrophobicContact CB-CG 4.2Å; F161-W189 HydrophobicContact CD2-CB 4.12Å; F161-W189 HydrophobicContact CD2-CD2 4.26Å; F161-W189 HydrophobicContact CD2-CE3 4.44Å; F161-W189 HydrophobicContact CD2-CG 4.13Å; F161-L194 HydrophobicContact CD2-CB 4.27Å; F161-L194 HydrophobicContact CD2-CD1 4.34Å; F161-L194 HydrophobicContact CE2-CB 3.88Å; F161-L194 HydrophobicContact CE2-CD1 3.64Å; F161-L194 HydrophobicContact CE2-CG 4.39Å; F161-L194 HydrophobicContact CZ-CB 4.37Å; F161-L194 HydrophobicContact CZ-CD1 4.49Å; F161-Y197 HydrophobicContact CZ-CG 4.43Å
162D85.1Confident84.5Confident42 Ų4257.8 Ų57.823%0.22532%0.315CS..Iπ-helixtrans-68.2-37.7179.1-157.545.2000111.9R143 Y158 E159 R166R143-D162 IonicContact CZ-OD2 2.7Å; R143-D162 VanDerWaalsContact CZ-OD2 3.3Å; R143-D162 IonicContact NH1-OD2 2.67Å; R143-D162 PolarHBondContact NH1-OD2 3.42Å; R143-D162 IonicContact NH2-OD2 3.89Å; R143-D162 PolarHBondContact NH2-OD2 2.81Å; Y158-D162 WeakPolarHBondContact O-CB 3.47Å; Y158-D162 PolarHBondContact O-N 2.87Å; E159-D162 PolarHBondContact O-N 3.21Å; D162-R166 IonicContact OD1-CZ 3.1Å; D162-R166 IonicContact OD1-NE 3.14Å; D162-R166 PolarHBondContact OD1-NE 3.44Å; D162-R166 IonicContact OD1-NH2 3.92Å; D162-R166 PolarHBondContact OD1-NH2 2.81Å
163A83.5Confident84.9Confident71 Ų7156.7 Ų56.759%0.58731%0.314SS*.Iπ-helixtrans-69.2-42.4-179.500000113.5E159E159-A163 WeakPolarHBondContact O-CB 3.26Å; E159-A163 PolarHBondContact O-N 3.1Å
164V83.1Confident85.5Confident78 Ų7853.6 Ų53.647%0.47329%0.292SS..Iπ-helixtrans-126.7-36.9-171.2-176.30000112.7E160 R166 Q167 W189E160-V164 PolarHBondContact O-N 2.92Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 2.92Å; V164-Q167 PolarHBondContact O-N 2.82Å; V164-W189 HydrophobicContact CG1-CZ2 4.26Å
165G75.4Confident85.9Confident0 Ų054.2 Ų54.20%029%0.293CS..Iπ-helixtrans-65.7-25.9-168.800000115.4F161 Q167F161-G165 CarbonylContact O-C 3.18Å; F161-G165 WeakPolarHBondContact O-CA 3.42Å; F161-G165 PolarHBondContact O-N 3.06Å; G165-Q167 VanDerWaalsContact C-N 3.29Å; G165-Q167 PolarHBondContact O-N 2.98Å
166R79.6Confident86.2Confident84 Ų8454.3 Ų54.332%0.31729%0.293SS..THydrogen-bonded Turntrans-68.1-27176.2-62.8-172-172.6-152.72.2113.4F161 D162 V164 Y197F161-R166 HydrophobicContact CE1-CG 4.49Å; F161-R166 PolarHBondContact O-N 3.12Å; D162-R166 IonicContact OD1-CZ 3.1Å; D162-R166 IonicContact OD1-NE 3.14Å; D162-R166 PolarHBondContact OD1-NE 3.44Å; D162-R166 IonicContact OD1-NH2 3.92Å; D162-R166 PolarHBondContact OD1-NH2 2.81Å; V164-R166 VanDerWaalsContact C-N 3.33Å; V164-R166 PolarHBondContact O-N 2.92Å; R166-Y197 WeakPolarHBondContact O-CE1 3.44Å; R166-Y197 PolarHBondContact O-OH 3.44Å
167Q80.7Confident86.3Confident163 Ų16346.4 Ų46.476%0.76226%0.264SS*.THydrogen-bonded Turntrans-82.2-24.2-176-62.6178.56.200112.5V164 G165 P169V164-Q167 PolarHBondContact O-N 2.82Å; G165-Q167 VanDerWaalsContact C-N 3.29Å; G165-Q167 PolarHBondContact O-N 2.98Å; Q167-P169 WeakPolarHBondContact O-CD 3.24Å
168V81.1Confident86.4Confident72 Ų7248.2 Ų48.244%0.43628%0.275SS..SBendtrans-105.7107.4-174.9-176.40000108.8W189V168-W189 HydrophobicContact CB-CH2 4.13Å; V168-W189 HydrophobicContact CG1-CH2 4.46Å
169P81.1Confident86.6Confident75 Ų7550.5 Ų50.549%0.48729%0.288SS..PPolyproline II helixtrans-64.7153.5173.928.5-33.7000110.2Q167Q167-P169 WeakPolarHBondContact O-CD 3.24Å
170L85.9Confident86.8Confident14 Ų1448.4 Ų48.47%0.07328%0.278CS..PPolyproline II helixtrans-58.8134.3169.8-83.2176.4000109.4L105 L107 Y175 L180 F183 L194 A198L105-L170 HydrophobicContact CD1-CB 4.14Å; L105-L170 HydrophobicContact CD2-CB 4.36Å; L107-L170 HydrophobicContact CD2-CD1 3.68Å; L170-Y175 HydrophobicContact CB-CE2 4.36Å; L170-Y175 HydrophobicContact CD1-CD2 4.48Å; L170-Y175 HydrophobicContact CD1-CE2 4.48Å; L170-L180 HydrophobicContact CD1-CD2 4.14Å; L170-F183 HydrophobicContact CD2-CD1 3.91Å; L170-F183 HydrophobicContact CD2-CE1 3.55Å; L170-F183 HydrophobicContact CD2-CE2 4.39Å; L170-F183 HydrophobicContact CD2-CG 4.47Å; L170-F183 HydrophobicContact CD2-CZ 3.81Å; L170-L194 HydrophobicContact CD1-CD1 4.36Å; L170-L194 HydrophobicContact CD1-CG 4.14Å; L170-L194 HydrophobicContact CD2-CD1 4.09Å; L170-L194 HydrophobicContact CD2-CD2 3.97Å; L170-L194 HydrophobicContact CD2-CG 4.22Å; L170-L194 HydrophobicContact CG-CD1 3.94Å; L170-L194 HydrophobicContact CG-CD2 4.49Å; L170-L194 HydrophobicContact CG-CG 4.2Å; L170-A198 HydrophobicContact CB-CB 4.45Å; L170-A198 HydrophobicContact CD1-CB 3.57Å; L170-A198 HydrophobicContact CG-CB 4.17Å
171P88Confident87.1Confident71 Ų7147.6 Ų47.646%0.46127%0.274SS..PPolyproline II helixtrans-63.8158.5175.322.6-23.9000110G173 Y175P171-G173 PolarHBondContact O-N 3.49Å; P171-Y175 WeakPolarHBondContact CD-OH 3.25Å; P171-Y175 WeakPolarHBondContact CG-OH 3.38Å; P171-Y175 WeakPolarHBondContact O-CE2 3.37Å; P171-Y175 PolarHBondContact O-OH 2.91Å
172A87.1Confident87.3Confident51 Ų5150.7 Ų50.742%0.42129%0.29SS..SBendtrans-59.3135.5177.700000110.5N102N102-A172 WeakPolarHBondContact O-CB 3.18Å
173G89.7Confident87.7Confident22 Ų2249.9 Ų49.923%0.22729%0.285CS..EExtended strand (participates in β ladder)trans163.3165.4-169.300000112.2F104 L105 A106 P171F104-G173 PolarHBondContact O-N 2.78Å; L105-G173 WeakPolarHBondContact CA-O 3.08Å; A106-G173 PolarHBondContact N-O 3.12Å; P171-G173 PolarHBondContact O-N 3.49Å
174I92.4Very high88Confident24 Ų2446.5 Ų46.512%0.12326%0.257CS..EExtended strand (participates in β ladder)trans-109.5112.6176.4-62.7168.1000107.4V84 L87 R88 M91 A106V84-I174 HydrophobicContact CG1-CG2 3.51Å; L87-I174 HydrophobicContact CG-CD1 3.95Å; L87-I174 WeakPolarHBondContact O-CD1 3.35Å; R88-I174 VanDerWaalsContact CA-CD1 3.43Å; R88-I174 HydrophobicContact CB-CD1 4.18Å; R88-I174 HydrophobicContact CB-CG2 4.43Å; R88-I174 PolarHBondContact NH2-O 3.44Å; R88-I174 VanDerWaalsContact NH2-O 3.14Å; M91-I174 HydrophobicContact CB-CD1 3.68Å; M91-I174 HydrophobicContact CG-CD1 3.6Å; A106-I174 HydrophobicContact CB-CB 4.44Å; A106-I174 HydrophobicContact CB-CG1 4Å; A106-I174 HydrophobicContact CB-CG2 4.3Å
175Y93.3Very high88.5Confident29 Ų2950.2 Ų50.211%0.11426%0.263CS..EExtended strand (participates in β ladder)trans-107.7118.1-175.8-62.2-82.3000110.7L105 A106 L107 S108 L170 P171 D179 L180L105-Y175 HydrophobicContact CD1-CD2 3.79Å; L105-Y175 HydrophobicContact CD1-CE2 3.64Å; A106-Y175 PolarHBondContact O-N 2.98Å; L107-Y175 HydrophobicContact CD2-CD2 3.99Å; L107-Y175 HydrophobicContact CD2-CG 4.45Å; S108-Y175 PolarHBondContact N-O 3.48Å; S108-Y175 PolarHBondContact OG-O 3.26Å; L170-Y175 HydrophobicContact CB-CE2 4.36Å; L170-Y175 HydrophobicContact CD1-CD2 4.48Å; L170-Y175 HydrophobicContact CD1-CE2 4.48Å; P171-Y175 WeakPolarHBondContact CD-OH 3.25Å; P171-Y175 WeakPolarHBondContact CG-OH 3.38Å; P171-Y175 WeakPolarHBondContact O-CE2 3.37Å; P171-Y175 PolarHBondContact O-OH 2.91Å; Y175-D179 HydrophobicContact CD1-CB 4.24Å; Y175-L180 HydrophobicContact CD1-CD2 4.3Å; Y175-L180 HydrophobicContact CG-CD2 4.02Å
176N93.9Very high89.3Confident14 Ų1459.1 Ų59.18%0.07530%0.296CS..  trans-82.6175.7165.9-152.6-11.5000110.8V84 E85 S108 D178 D179 L180V84-N176 HydrophobicContact CG1-CB 3.93Å; E85-N176 PolarHBondContact OE1-ND2 3.39Å; S108-N176 VanDerWaalsContact OG-C 3.26Å; S108-N176 WeakPolarHBondContact OG-CA 3.4Å; N176-D178 VanDerWaalsContact C-N 3.31Å; N176-D178 PolarHBondContact O-N 3.05Å; N176-D179 WeakPolarHBondContact CB-OD2 3.3Å; N176-D179 PolarHBondContact N-OD2 2.96Å; N176-D179 PolarHBondContact O-N 2.9Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å; N176-L180 PolarHBondContact O-N 2.9Å
177L91.1Very high89.7Confident3 Ų361 Ų612%0.01631%0.307CS..Hα-helixtrans-62.2-40.7-176.4-63.8177.4000111.6V77 S108 N114 L115 K181V77-L177 HydrophobicContact CG1-CD1 3.65Å; S108-L177 WeakPolarHBondContact OG-CD2 3.14Å; S108-L177 PolarHBondContact OG-N 2.92Å; S108-L177 VanDerWaalsContact OG-N 3.11Å; N114-L177 HydrophobicContact CB-CD1 4.46Å; L115-L177 HydrophobicContact CD1-CD2 4.4Å; L115-L177 HydrophobicContact CD2-CB 4.39Å; L115-L177 HydrophobicContact CD2-CD2 3.92Å; L115-L177 HydrophobicContact CG-CD2 4.23Å; L177-K181 WeakPolarHBondContact O-CG 3.5Å; L177-K181 PolarHBondContact O-N 3.34Å
178D91.8Very high90.2Very high84 Ų8453.8 Ų53.845%0.44928%0.276SS..Hα-helixtrans-74.5-36.3178.3-66.5-33.7000112.3N176 L180 K181 D182N176-D178 VanDerWaalsContact C-N 3.31Å; N176-D178 PolarHBondContact O-N 3.05Å; D178-L180 VanDerWaalsContact C-N 3.28Å; D178-L180 PolarHBondContact O-N 2.89Å; D178-K181 WeakPolarHBondContact O-CB 3.27Å; D178-K181 PolarHBondContact O-N 3.2Å; D178-K181 VanDerWaalsContact O-N 3.1Å; D178-K181 IonicContact OD1-NZ 3.5Å; D178-K181 PolarHBondContact OD1-NZ 2.7Å; D178-D182 PolarHBondContact O-N 3.17Å
179D93.1Very high90.7Very high53 Ų5351.3 Ų51.328%0.28326%0.259SS..Hα-helixtrans-60.6-39.5173.9-58-45.6000111.7R88 Y175 N176 D182 F183R88-D179 IonicContact CZ-OD2 3.28Å; R88-D179 IonicContact NH2-OD2 2.69Å; R88-D179 PolarHBondContact NH2-OD2 2.89Å; Y175-D179 HydrophobicContact CD1-CB 4.24Å; N176-D179 WeakPolarHBondContact CB-OD2 3.3Å; N176-D179 PolarHBondContact N-OD2 2.96Å; N176-D179 PolarHBondContact O-N 2.9Å; D179-D182 PolarHBondContact O-N 2.8Å; D179-F183 VanDerWaalsContact O-CB 3.3Å; D179-F183 WeakPolarHBondContact O-CB 3.44Å; D179-F183 PolarHBondContact O-N 2.63Å
180L92Very high91.3Very high0 Ų048.3 Ų48.30%024%0.24CC..Hα-helixtrans-65-40.7174.8-72.9171.8000111.7L107 S108 L115 L170 Y175 N176 D178 F183 G184 P191 A195L107-L180 HydrophobicContact CD2-CD2 4.2Å; S108-L180 WeakPolarHBondContact O-CD1 3.48Å; L115-L180 HydrophobicContact CD2-CB 4.13Å; L115-L180 HydrophobicContact CD2-CD1 4.23Å; L170-L180 HydrophobicContact CD1-CD2 4.14Å; Y175-L180 HydrophobicContact CD1-CD2 4.3Å; Y175-L180 HydrophobicContact CG-CD2 4.02Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å; N176-L180 PolarHBondContact O-N 2.9Å; D178-L180 VanDerWaalsContact C-N 3.28Å; D178-L180 PolarHBondContact O-N 2.89Å; L180-F183 PolarHBondContact O-N 3.34Å; L180-G184 PolarHBondContact O-N 2.99Å; L180-P191 HydrophobicContact CB-CB 4.34Å; L180-A195 HydrophobicContact CD1-CB 4.01Å
181K93Very high91.6Very high43 Ų4347.7 Ų47.719%0.18724%0.236CC..Hα-helixtrans-62.5-45.8174.4-70.2173.3-164.4153.70111.2N114 I117 L177 D178 F183 G184 R185N114-K181 WeakPolarHBondContact O-CE 3.08Å; N114-K181 PolarHBondContact O-NZ 2.88Å; I117-K181 HydrophobicContact CG2-CB 4.22Å; I117-K181 HydrophobicContact CG2-CG 4.26Å; L177-K181 WeakPolarHBondContact O-CG 3.5Å; L177-K181 PolarHBondContact O-N 3.34Å; D178-K181 WeakPolarHBondContact O-CB 3.27Å; D178-K181 PolarHBondContact O-N 3.2Å; D178-K181 VanDerWaalsContact O-N 3.1Å; D178-K181 IonicContact OD1-NZ 3.5Å; D178-K181 PolarHBondContact OD1-NZ 2.7Å; K181-F183 VanDerWaalsContact C-N 3.34Å; K181-G184 PolarHBondContact O-N 2.95Å; K181-R185 WeakPolarHBondContact O-CB 3.41Å; K181-R185 WeakPolarHBondContact O-CG 3.29Å; K181-R185 PolarHBondContact O-N 3.14Å
182D93.6Very high91.7Very high71 Ų7146 Ų4638%0.3822%0.221SC..Hα-helixtrans-70.2-33.6-178.2-72.7-18.6000111.8D178 D179 R185 R186D178-D182 PolarHBondContact O-N 3.17Å; D179-D182 PolarHBondContact O-N 2.8Å; D182-R185 IonicContact OD1-NH1 3.5Å; D182-R185 PolarHBondContact OD1-NH1 2.97Å; D182-R186 WeakPolarHBondContact O-CB 3.43Å; D182-R186 VanDerWaalsContact O-CG 3.27Å; D182-R186 WeakPolarHBondContact O-CG 3.29Å; D182-R186 PolarHBondContact O-N 2.71Å; D182-R186 PolarHBondContact O-NE 3.22Å; D182-R186 VanDerWaalsContact O-NE 3.14Å
183F91.5Very high91.7Very high25 Ų2545.1 Ų45.111%0.1121%0.207CC..Hα-helixtrans-63.4-47.2168.3-172-89.5000111.7L170 D179 L180 K181 R185 R186 K187 W189 L194L170-F183 HydrophobicContact CD2-CD1 3.91Å; L170-F183 HydrophobicContact CD2-CE1 3.55Å; L170-F183 HydrophobicContact CD2-CE2 4.39Å; L170-F183 HydrophobicContact CD2-CG 4.47Å; L170-F183 HydrophobicContact CD2-CZ 3.81Å; D179-F183 VanDerWaalsContact O-CB 3.3Å; D179-F183 WeakPolarHBondContact O-CB 3.44Å; D179-F183 PolarHBondContact O-N 2.63Å; L180-F183 PolarHBondContact O-N 3.34Å; K181-F183 VanDerWaalsContact C-N 3.34Å; F183-R185 PolarHBondContact O-N 3.47Å; F183-R186 PolarHBondContact O-N 3.14Å; F183-K187 HydrophobicContact CE1-CG 4.02Å; F183-K187 HydrophobicContact CZ-CG 4.05Å; F183-K187 PolarHBondContact O-N 2.97Å; F183-W189 AromaticContact CE1-CE3 3.95Å; F183-W189 HydrophobicContact CE1-CE3 3.95Å; F183-W189 AromaticContact CE1-CZ3 3.98Å; F183-W189 HydrophobicContact CE1-CZ3 3.98Å; F183-W189 HydrophobicContact CZ-CZ3 4.43Å; F183-L194 HydrophobicContact CD1-CD2 3.57Å; F183-L194 HydrophobicContact CE1-CD2 3.83Å
184G91.3Very high91.8Very high0 Ų044.1 Ų44.10%020%0.196CC..Hα-helixtrans-61.6-40.4176.900000113L180 K181 K187 G188 W189L180-G184 PolarHBondContact O-N 2.99Å; K181-G184 PolarHBondContact O-N 2.95Å; G184-K187 PolarHBondContact O-N 2.97Å; G184-G188 CarbonylContact O-C 3.58Å; G184-G188 WeakPolarHBondContact O-CA 3.39Å; G184-G188 PolarHBondContact O-N 3.2Å; G184-W189 CarbonylContact C-O 3.55Å; G184-W189 WeakPolarHBondContact CA-O 3.24Å; G184-W189 PolarHBondContact O-N 3.22Å
185R92.3Very high91.6Very high157 Ų15743 Ų4359%0.59219%0.191SC*.Hα-helixtrans-62.6-42.6174.5-75.3172.2177.9167.3-5112.5I117 K181 D182 F183I117-R185 HydrophobicContact CG2-CG 4.28Å; K181-R185 WeakPolarHBondContact O-CB 3.41Å; K181-R185 WeakPolarHBondContact O-CG 3.29Å; K181-R185 PolarHBondContact O-N 3.14Å; D182-R185 IonicContact OD1-NH1 3.5Å; D182-R185 PolarHBondContact OD1-NH1 2.97Å; F183-R185 PolarHBondContact O-N 3.47Å
186R92.1Very high91.3Very high187 Ų18743.3 Ų43.371%0.70619%0.192SC*.Hα-helixtrans-66.7-38.5179.2-76.6-179.8-70.7-179.4-2.3112.9D182 F183D182-R186 WeakPolarHBondContact O-CB 3.43Å; D182-R186 VanDerWaalsContact O-CG 3.27Å; D182-R186 WeakPolarHBondContact O-CG 3.29Å; D182-R186 PolarHBondContact O-N 2.71Å; D182-R186 PolarHBondContact O-NE 3.22Å; D182-R186 VanDerWaalsContact O-NE 3.14Å; F183-R186 PolarHBondContact O-N 3.14Å
187K89.3Confident90.9Very high123 Ų12346.4 Ų46.454%0.53520%0.203SC..Hα-helixtrans-92.6-14.9-177.7-73.6-73.2-175.4175.10114.5F183 G184 W189F183-K187 HydrophobicContact CE1-CG 4.02Å; F183-K187 HydrophobicContact CZ-CG 4.05Å; F183-K187 PolarHBondContact O-N 2.97Å; G184-K187 PolarHBondContact O-N 2.97Å; K187-W189 HydrophobicContact CB-CD2 3.85Å; K187-W189 HydrophobicContact CB-CE3 4.06Å; K187-W189 HydrophobicContact CB-CG 4.08Å; K187-W189 HydrophobicContact CG-CE3 4.41Å
188G90.6Very high90.8Very high12 Ų1246.4 Ų46.412%0.12420%0.203CC..THydrogen-bonded Turntrans79.217.5-171.500000113.8F157 E160 G184F157-G188 WeakPolarHBondContact CA-O 3.49Å; E160-G188 WeakPolarHBondContact OE2-CA 3.44Å; E160-G188 VanDerWaalsContact OE2-O 3.07Å; G184-G188 CarbonylContact O-C 3.58Å; G184-G188 WeakPolarHBondContact O-CA 3.39Å; G184-G188 PolarHBondContact O-N 3.2Å
189W92.9Very high90.6Very high19 Ų1942.5 Ų42.57%0.07218%0.183CC..  trans-101.8150.7-175.6-64.5-15.9000113I117 F161 V164 V168 F183 G184 K187 P191 L194I117-W189 WeakPolarHBondContact CD1-O 3.33Å; F161-W189 HydrophobicContact CB-CB 4.13Å; F161-W189 HydrophobicContact CB-CG 4.2Å; F161-W189 HydrophobicContact CD2-CB 4.12Å; F161-W189 HydrophobicContact CD2-CD2 4.26Å; F161-W189 HydrophobicContact CD2-CE3 4.44Å; F161-W189 HydrophobicContact CD2-CG 4.13Å; V164-W189 HydrophobicContact CG1-CZ2 4.26Å; V168-W189 HydrophobicContact CB-CH2 4.13Å; V168-W189 HydrophobicContact CG1-CH2 4.46Å; F183-W189 AromaticContact CE1-CE3 3.95Å; F183-W189 HydrophobicContact CE1-CE3 3.95Å; F183-W189 AromaticContact CE1-CZ3 3.98Å; F183-W189 HydrophobicContact CE1-CZ3 3.98Å; F183-W189 HydrophobicContact CZ-CZ3 4.43Å; G184-W189 CarbonylContact C-O 3.55Å; G184-W189 WeakPolarHBondContact CA-O 3.24Å; G184-W189 PolarHBondContact O-N 3.22Å; K187-W189 HydrophobicContact CB-CD2 3.85Å; K187-W189 HydrophobicContact CB-CE3 4.06Å; K187-W189 HydrophobicContact CB-CG 4.08Å; K187-W189 HydrophobicContact CG-CE3 4.41Å; W189-P191 WeakPolarHBondContact O-CD 3.48Å; W189-L194 HydrophobicContact CE3-CD1 4.19Å; W189-L194 HydrophobicContact CE3-CD2 4.41Å
190C91.8Very high90.2Very high13 Ų1343.6 Ų43.69%0.08819%0.188CC..  trans-70.1114.1172.7-173.20000110.9F157 Y192 Y193 L194F157-C190 HydrophobicContact CB-CB 4.18Å; F157-C190 PolarHBondContact O-N 2.86Å; C190-Y192 VanDerWaalsContact C-N 3.28Å; C190-Y192 PolarHBondContact O-N 3.39Å; C190-Y193 HydrophobicContact CB-CD2 4.26Å; C190-Y193 PolarHBondContact O-N 2.93Å; C190-L194 VanDerWaalsContact O-CB 3.26Å; C190-L194 WeakPolarHBondContact O-CB 3.34Å; C190-L194 PolarHBondContact O-N 3.38Å
191P92.5Very high89.9Confident0 Ų048.4 Ų48.40%021%0.21CC..Hα-helixtrans-62.8-34.2-177.4-21.232000113.2L115 I117 L180 W189 L194 A195L115-P191 HydrophobicContact CD2-CB 4.41Å; L115-P191 WeakPolarHBondContact O-CG 3.43Å; I117-P191 HydrophobicContact CD1-CG 4.21Å; I117-P191 HydrophobicContact CG1-CG 4.39Å; I117-P191 HydrophobicContact CG2-CG 3.79Å; L180-P191 HydrophobicContact CB-CB 4.34Å; W189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-L194 PolarHBondContact O-N 2.88Å; P191-A195 VanDerWaalsContact O-CB 3.27Å; P191-A195 WeakPolarHBondContact O-CB 3.48Å; P191-A195 PolarHBondContact O-N 3.11Å
192Y90.6Very high89.8Confident37 Ų3746.5 Ų46.515%0.14520%0.203CC..Hα-helixtrans-64-50.5-178.8175.2-99.5000112.4R112 L115 C190 A195 R196R112-Y192 HydrophobicContact CG-CD1 4.04Å; R112-Y192 HydrophobicContact CG-CD2 3.81Å; R112-Y192 HydrophobicContact CG-CE1 3.89Å; R112-Y192 HydrophobicContact CG-CE2 3.65Å; R112-Y192 HydrophobicContact CG-CG 4Å; L115-Y192 HydrophobicContact CD1-CD2 4.27Å; C190-Y192 VanDerWaalsContact C-N 3.28Å; C190-Y192 PolarHBondContact O-N 3.39Å; Y192-A195 PolarHBondContact O-N 3.17Å; Y192-R196 PolarHBondContact O-N 2.79Å; Y192-R196 VanDerWaalsContact O-N 3.07Å
193Y87.9Confident89.7Confident31 Ų3145.3 Ų45.312%0.12220%0.196CC..Hα-helixtrans-72.4-32.1178.5-74.4-73.4000112.1Y158 C190 R196 Y197Y158-Y193 HydrophobicContact CD2-CD1 4.44Å; Y158-Y193 AromaticContact CD2-CD2 3.27Å; Y158-Y193 HydrophobicContact CD2-CD2 3.27Å; Y158-Y193 AromaticContact CD2-CE2 3.53Å; Y158-Y193 HydrophobicContact CD2-CE2 3.53Å; Y158-Y193 AromaticContact CD2-CG 3.77Å; Y158-Y193 HydrophobicContact CD2-CG 3.77Å; Y158-Y193 AromaticContact CE2-CD1 3.9Å; Y158-Y193 HydrophobicContact CE2-CD1 3.9Å; Y158-Y193 AromaticContact CE2-CD2 3.57Å; Y158-Y193 HydrophobicContact CE2-CD2 3.57Å; Y158-Y193 HydrophobicContact CE2-CE1 4.03Å; Y158-Y193 AromaticContact CE2-CE2 3.69Å; Y158-Y193 HydrophobicContact CE2-CE2 3.69Å; Y158-Y193 AromaticContact CE2-CG 3.67Å; Y158-Y193 HydrophobicContact CE2-CG 3.67Å; Y158-Y193 AromaticContact CE2-CZ 3.92Å; Y158-Y193 HydrophobicContact CG-CD2 4.33Å; Y158-Y193 HydrophobicContact CG-CE2 4.33Å; C190-Y193 HydrophobicContact CB-CD2 4.26Å; C190-Y193 PolarHBondContact O-N 2.93Å; Y193-R196 PolarHBondContact O-N 3.43Å; Y193-Y197 WeakPolarHBondContact O-CB 3.47Å; Y193-Y197 PolarHBondContact O-N 3.09Å
194L90.1Very high89.8Confident1 Ų144.1 Ų44.11%0.00519%0.191CC..Hα-helixtrans-60.5-51.2171.4176.265.7000111.8F161 L170 F183 W189 C190 P191 R196 Y197 A198F161-L194 HydrophobicContact CD2-CB 4.27Å; F161-L194 HydrophobicContact CD2-CD1 4.34Å; F161-L194 HydrophobicContact CE2-CB 3.88Å; F161-L194 HydrophobicContact CE2-CD1 3.64Å; F161-L194 HydrophobicContact CE2-CG 4.39Å; F161-L194 HydrophobicContact CZ-CB 4.37Å; F161-L194 HydrophobicContact CZ-CD1 4.49Å; L170-L194 HydrophobicContact CD1-CD1 4.36Å; L170-L194 HydrophobicContact CD1-CG 4.14Å; L170-L194 HydrophobicContact CD2-CD1 4.09Å; L170-L194 HydrophobicContact CD2-CD2 3.97Å; L170-L194 HydrophobicContact CD2-CG 4.22Å; L170-L194 HydrophobicContact CG-CD1 3.94Å; L170-L194 HydrophobicContact CG-CD2 4.49Å; L170-L194 HydrophobicContact CG-CG 4.2Å; F183-L194 HydrophobicContact CD1-CD2 3.57Å; F183-L194 HydrophobicContact CE1-CD2 3.83Å; W189-L194 HydrophobicContact CE3-CD1 4.19Å; W189-L194 HydrophobicContact CE3-CD2 4.41Å; C190-L194 VanDerWaalsContact O-CB 3.26Å; C190-L194 WeakPolarHBondContact O-CB 3.34Å; C190-L194 PolarHBondContact O-N 3.38Å; P191-L194 PolarHBondContact O-N 2.88Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 2.67Å; L194-Y197 PolarHBondContact O-N 3.12Å; L194-A198 VanDerWaalsContact O-CB 3.26Å; L194-A198 WeakPolarHBondContact O-CB 3.41Å; L194-A198 PolarHBondContact O-N 3.39Å
195A89.4Confident89.8Confident1 Ų144.1 Ų44.11%0.00819%0.191CC..Hα-helixtrans-58.2-45.2177.300000110.6L109 L115 L180 P191 Y192 A198 I199L109-A195 HydrophobicContact CD1-CB 4.25Å; L115-A195 HydrophobicContact CD1-CB 4.5Å; L180-A195 HydrophobicContact CD1-CB 4.01Å; P191-A195 VanDerWaalsContact O-CB 3.27Å; P191-A195 WeakPolarHBondContact O-CB 3.48Å; P191-A195 PolarHBondContact O-N 3.11Å; Y192-A195 PolarHBondContact O-N 3.17Å; A195-A198 PolarHBondContact O-N 2.98Å; A195-I199 WeakPolarHBondContact O-CG1 3.15Å; A195-I199 PolarHBondContact O-N 2.94Å; A195-I199 VanDerWaalsContact O-N 3.09Å
196R85.9Confident89.9Confident36 Ų3636.7 Ų36.714%0.13616%0.163CC..Hα-helixtrans-58.8-49.2177.6-174.2179.5175.5-172.8-1.8112.5Y192 Y193 L194 A198 I199 L220Y192-R196 PolarHBondContact O-N 2.79Å; Y192-R196 VanDerWaalsContact O-N 3.07Å; Y193-R196 PolarHBondContact O-N 3.43Å; L194-R196 VanDerWaalsContact C-N 3.29Å; L194-R196 PolarHBondContact O-N 2.67Å; R196-A198 VanDerWaalsContact C-N 3.3Å; R196-A198 PolarHBondContact O-N 3.33Å; R196-I199 VanDerWaalsContact O-CB 3.32Å; R196-I199 WeakPolarHBondContact O-CB 3.38Å; R196-I199 PolarHBondContact O-N 2.85Å; R196-L220 PolarHBondContact NH2-O 2.88Å
197Y86.1Confident89.9Confident78 Ų7827.8 Ų27.831%0.30613%0.13SC..Hα-helixtrans-63.5-39.6178-177.8-109000111.8F161 R166 Y193 L194 I199 L200F161-Y197 HydrophobicContact CZ-CG 4.43Å; R166-Y197 WeakPolarHBondContact O-CE1 3.44Å; R166-Y197 PolarHBondContact O-OH 3.44Å; Y193-Y197 WeakPolarHBondContact O-CB 3.47Å; Y193-Y197 PolarHBondContact O-N 3.09Å; L194-Y197 PolarHBondContact O-N 3.12Å; Y197-I199 PolarHBondContact O-N 2.8Å; Y197-L200 HydrophobicContact CD2-CD1 4.49Å; Y197-L200 HydrophobicContact CE2-CD1 4.5Å; Y197-L200 PolarHBondContact O-N 3.27Å
198A88.6Confident89.9Confident3 Ų322.8 Ų22.83%0.02511%0.11CC..Hα-helixtrans-70.2-15.8-179.600000114L107 L170 L194 A195 R196 L200 H201 A202L107-A198 VanDerWaalsContact CD1-C 3.45Å; L107-A198 HydrophobicContact CD1-CB 3.49Å; L107-A198 VanDerWaalsContact CD1-CB 3.49Å; L107-A198 WeakPolarHBondContact CD1-O 2.85Å; L107-A198 HydrophobicContact CD2-CB 4.39Å; L170-A198 HydrophobicContact CB-CB 4.45Å; L170-A198 HydrophobicContact CD1-CB 3.57Å; L170-A198 HydrophobicContact CG-CB 4.17Å; L194-A198 VanDerWaalsContact O-CB 3.26Å; L194-A198 WeakPolarHBondContact O-CB 3.41Å; L194-A198 PolarHBondContact O-N 3.39Å; A195-A198 PolarHBondContact O-N 2.98Å; R196-A198 VanDerWaalsContact C-N 3.3Å; R196-A198 PolarHBondContact O-N 3.33Å; A198-L200 PolarHBondContact O-N 3.28Å; A198-H201 PolarHBondContact O-N 3.49Å; A198-H201 VanDerWaalsContact O-N 3.08Å; A198-A202 PolarHBondContact O-N 2.84Å
199I87.7Confident89.7Confident2 Ų222.3 Ų22.31%0.0110%0.104CC..THydrogen-bonded Turntrans-54.5-36.1172.8-71.5165.4000111K69 L109 A195 R196 Y197 H201 V205 V221 L225K69-I199 WeakPolarHBondContact CE-O 3.36Å; K69-I199 PolarHBondContact NZ-O 2.68Å; L109-I199 HydrophobicContact CD1-CD1 4.31Å; L109-I199 HydrophobicContact CD2-CD1 3.7Å; A195-I199 WeakPolarHBondContact O-CG1 3.15Å; A195-I199 PolarHBondContact O-N 2.94Å; A195-I199 VanDerWaalsContact O-N 3.09Å; R196-I199 VanDerWaalsContact O-CB 3.32Å; R196-I199 WeakPolarHBondContact O-CB 3.38Å; R196-I199 PolarHBondContact O-N 2.85Å; Y197-I199 PolarHBondContact O-N 2.8Å; I199-H201 VanDerWaalsContact C-N 3.31Å; I199-H201 PolarHBondContact O-N 3.48Å; I199-V205 HydrophobicContact CG1-CG1 4.37Å; I199-V205 HydrophobicContact CG2-CG2 4.39Å; I199-V221 HydrophobicContact CD1-CG1 4.08Å; I199-L225 HydrophobicContact CG2-CD2 3.52Å
200L84.8Confident89.4Confident76 Ų7625.2 Ų25.240%0.39812%0.119SC..THydrogen-bonded Turntrans-58.7-44.2178.9-73.1166.3000111.5K69 Y197 A198 E224K69-L200 PolarHBondContact NZ-O 3.49Å; K69-L200 VanDerWaalsContact NZ-O 3.09Å; Y197-L200 HydrophobicContact CD2-CD1 4.49Å; Y197-L200 HydrophobicContact CE2-CD1 4.5Å; Y197-L200 PolarHBondContact O-N 3.27Å; A198-L200 PolarHBondContact O-N 3.28Å; L200-E224 HydrophobicContact CD2-CB 3.71Å; L200-E224 HydrophobicContact CD2-CG 4.23Å
201H87.1Confident89.1Confident101 Ų10126.2 Ų26.247%0.46812%0.121SC..THydrogen-bonded Turntrans-91.3-14-173.9-59.3-67.5000114.5L105 A198 I199L105-H201 HydrophobicContact CD2-CB 4.29Å; A198-H201 PolarHBondContact O-N 3.49Å; A198-H201 VanDerWaalsContact O-N 3.08Å; I199-H201 VanDerWaalsContact C-N 3.31Å; I199-H201 PolarHBondContact O-N 3.48Å
202A89.8Confident88.8Confident3 Ų326.5 Ų26.53%0.02512%0.123CC..  trans-70.7148-177.600000113.2K69 L105 L107 A198 V205K69-A202 WeakPolarHBondContact CE-O 3.5Å; L105-A202 HydrophobicContact CD2-CB 4.14Å; L105-A202 HydrophobicContact CG-CB 4.06Å; L107-A202 HydrophobicContact CD1-CB 3.59Å; L107-A202 HydrophobicContact CG-CB 4.09Å; A198-A202 PolarHBondContact O-N 2.84Å; A202-V205 HydrophobicContact CB-CG2 3.88Å
203N91.4Very high88.5Confident47 Ų4724.9 Ų24.925%0.25112%0.116SC..SBendtrans-88.2-36172-57.2103.8000111.4K69 L70 F104 L105K69-N203 CarbonylContact C-O 3.32Å; K69-N203 VanDerWaalsContact CA-O 3.31Å; K69-N203 WeakPolarHBondContact CA-O 3.21Å; L70-N203 PolarHBondContact N-O 3.11Å; F104-N203 HydrophobicContact CD1-CB 4.1Å; F104-N203 HydrophobicContact CD2-CB 4.04Å; F104-N203 HydrophobicContact CE1-CB 3.67Å; F104-N203 HydrophobicContact CE2-CB 3.59Å; F104-N203 HydrophobicContact CG-CB 4.29Å; F104-N203 HydrophobicContact CZ-CB 3.41Å; F104-N203 VanDerWaalsContact CZ-CB 3.41Å; L105-N203 PolarHBondContact N-OD1 2.74Å; L105-N203 VanDerWaalsContact N-OD1 3.15Å; L105-N203 PolarHBondContact O-N 2.96Å
204I93Very high88.2Confident0 Ų024.5 Ų24.50%012%0.116CC..EExtended strand (participates in β ladder)trans-125.2130.4177.1-59.6-178.5000109.3V57 L70 L87 F104 L105 A106 L107 V206V57-I204 HydrophobicContact CG2-CD1 3.78Å; L70-I204 HydrophobicContact CB-CG1 4.07Å; L70-I204 HydrophobicContact CD2-CD1 4.04Å; L70-I204 HydrophobicContact CD2-CG1 4.11Å; L70-I204 HydrophobicContact CD2-CG2 4.11Å; L70-I204 HydrophobicContact CG-CG2 4.36Å; L70-I204 WeakPolarHBondContact O-CA 3.47Å; L87-I204 HydrophobicContact CD1-CD1 3.7Å; L87-I204 HydrophobicContact CD2-CB 4.21Å; L87-I204 HydrophobicContact CD2-CD1 3.77Å; L87-I204 HydrophobicContact CD2-CG2 4.05Å; L87-I204 HydrophobicContact CG-CD1 4.4Å; F104-I204 HydrophobicContact CE1-CB 4.26Å; F104-I204 HydrophobicContact CE1-CD1 3.41Å; F104-I204 VanDerWaalsContact CE1-CD1 3.41Å; F104-I204 HydrophobicContact CE1-CG1 3.45Å; F104-I204 VanDerWaalsContact CE1-CG1 3.45Å; F104-I204 HydrophobicContact CZ-CD1 3.66Å; F104-I204 HydrophobicContact CZ-CG1 3.65Å; L105-I204 PolarHBondContact O-N 3.27Å; A106-I204 VanDerWaalsContact CA-O 3.31Å; A106-I204 WeakPolarHBondContact CA-O 3.49Å; A106-I204 HydrophobicContact CB-CB 4.07Å; L107-I204 PolarHBondContact N-O 2.97Å; I204-V206 HydrophobicContact CG2-CG2 4.11Å
205V92.9Very high87.5Confident0 Ų025.5 Ų25.50%012%0.123CC..EExtended strand (participates in β ladder)trans-124.7126.9173.8-172.10000108.6K69 L70 Y72 L107 I199 A202 Y207K69-V205 HydrophobicContact CD-CG2 4.35Å; L70-V205 PolarHBondContact O-N 3.11Å; Y72-V205 PolarHBondContact N-O 3.44Å; L107-V205 WeakPolarHBondContact O-CA 3.35Å; I199-V205 HydrophobicContact CG1-CG1 4.37Å; I199-V205 HydrophobicContact CG2-CG2 4.39Å; A202-V205 HydrophobicContact CB-CG2 3.88Å; V205-Y207 HydrophobicContact CB-CE1 4.47Å; V205-Y207 HydrophobicContact CG1-CD1 3.5Å; V205-Y207 HydrophobicContact CG1-CE1 3.77Å
206V93.8Very high86.7Confident1 Ų127 Ų271%0.00613%0.129CC..EExtended strand (participates in β ladder)trans-113.6118.2179.2-166.70000109.3Y72 I80 V83 V84 L107 S108 L109 I204Y72-V206 HydrophobicContact CD1-CG1 4.08Å; Y72-V206 HydrophobicContact CG-CG1 4.42Å; Y72-V206 WeakPolarHBondContact O-CA 3.39Å; I80-V206 HydrophobicContact CB-CG1 4.22Å; I80-V206 HydrophobicContact CG1-CG1 4.23Å; I80-V206 HydrophobicContact CG2-CB 4.18Å; I80-V206 HydrophobicContact CG2-CG1 3.8Å; V83-V206 HydrophobicContact CB-CG1 4.17Å; V83-V206 HydrophobicContact CG1-CG1 3.98Å; V83-V206 HydrophobicContact CG1-CG2 4.02Å; V84-V206 HydrophobicContact CG2-CB 4.31Å; V84-V206 HydrophobicContact CG2-CG2 4.06Å; L107-V206 PolarHBondContact O-N 3.46Å; S108-V206 WeakPolarHBondContact CA-O 3.34Å; L109-V206 PolarHBondContact N-O 3.01Å; I204-V206 HydrophobicContact CG2-CG2 4.11Å
207Y91.2Very high86.3Confident0 Ų027.3 Ų27.30%013%0.133CC..EExtended strand (participates in β ladder)trans-149.6-179.4176.855.5-120.5000113.3I71 Y72 C73 S74 L109 V205 L212 V221I71-Y207 HydrophobicContact CG2-CE1 4.07Å; I71-Y207 HydrophobicContact CG2-CE2 3.98Å; I71-Y207 VanDerWaalsContact CG2-CZ 3.48Å; I71-Y207 WeakPolarHBondContact CG2-OH 3.38Å; Y72-Y207 PolarHBondContact O-N 3Å; C73-Y207 VanDerWaalsContact CA-O 3.27Å; C73-Y207 WeakPolarHBondContact CA-O 3.13Å; C73-Y207 VanDerWaalsContact SG-CE2 3.54Å; S74-Y207 PolarHBondContact N-O 2.98Å; L109-Y207 HydrophobicContact CB-CD1 4.41Å; L109-Y207 HydrophobicContact CD2-CD1 4.05Å; L109-Y207 WeakPolarHBondContact O-CB 3.41Å; V205-Y207 HydrophobicContact CB-CE1 4.47Å; V205-Y207 HydrophobicContact CG1-CD1 3.5Å; V205-Y207 HydrophobicContact CG1-CE1 3.77Å; Y207-L212 HydrophobicContact CE2-CB 4.02Å; Y207-V221 HydrophobicContact CE1-CG1 4.13Å
208S90.3Very high85.7Confident18 Ų1824 Ų2413%0.12612%0.122CC..EExtended strand (participates in β ladder)trans-81.6152-178.2179.90000113.5S74 R75 H210 Y211S74-S208 WeakPolarHBondContact O-CA 3.38Å; R75-S208 PolarHBondContact O-OG 3.14Å; S208-H210 PolarHBondContact O-N 3.01Å; S208-H210 VanDerWaalsContact O-N 3.08Å; S208-Y211 WeakPolarHBondContact O-CB 3.48Å; S208-Y211 PolarHBondContact O-N 2.83Å
209Y86.9Confident84.8Confident1 Ų127.4 Ų27.40%0.00414%0.14CC..THydrogen-bonded Turntrans-46.1-40.4174.4-58.1-29.8000114.4C73 S74 R75 Y211 L212 L213 F233 D234 E235 A236 V242C73-Y209 HydrophobicContact CB-CD1 3.83Å; C73-Y209 HydrophobicContact CB-CE1 4.22Å; C73-Y209 WeakPolarHBondContact O-CE1 3.25Å; S74-Y209 PolarHBondContact O-N 3.43Å; R75-Y209 HydrophobicContact CB-CD2 4.27Å; R75-Y209 HydrophobicContact CB-CE2 3.73Å; R75-Y209 HydrophobicContact CG-CD2 4.19Å; R75-Y209 HydrophobicContact CG-CE2 3.9Å; Y209-Y211 PolarHBondContact O-N 3.44Å; Y209-Y211 VanDerWaalsContact O-N 3.16Å; Y209-L212 PolarHBondContact O-N 3.4Å; Y209-L213 PolarHBondContact O-N 3.39Å; Y209-F233 AromaticContact CD1-CD1 3.67Å; Y209-F233 HydrophobicContact CD1-CD1 3.67Å; Y209-F233 HydrophobicContact CD1-CE1 4.17Å; Y209-F233 HydrophobicContact CE1-CB 4.41Å; Y209-F233 AromaticContact CE1-CD1 3.85Å; Y209-F233 HydrophobicContact CE1-CD1 3.85Å; Y209-D234 PolarHBondContact OH-O 2.75Å; Y209-E235 PolarHBondContact OH-O 3.45Å; Y209-A236 WeakPolarHBondContact OH-CA 3.43Å; Y209-A236 PolarHBondContact OH-N 3.15Å; Y209-V242 HydrophobicContact CD2-CG2 4.12Å
210H85.4Confident83.8Confident81 Ų8128.6 Ų28.638%0.37515%0.146SC..Hα-helixtrans-61.5-26.4-176.6-62.5-69.3000112.6S208 L212 D214S208-H210 PolarHBondContact O-N 3.01Å; S208-H210 VanDerWaalsContact O-N 3.08Å; H210-L212 PolarHBondContact O-N 2.88Å; H210-D214 WeakPolarHBondContact O-CB 3.4Å; H210-D214 PolarHBondContact O-N 2.92Å; H210-D214 VanDerWaalsContact O-N 3.15Å
211Y85.7Confident83.1Confident33 Ų3325.4 Ų25.413%0.12913%0.13CC..Hα-helixtrans-73.5-16.3176.8-76.6-98.2000113.5L109 S110 S111 S208 Y209 I217 A218 V221L109-Y211 HydrophobicContact CD2-CD1 4.07Å; L109-Y211 HydrophobicContact CD2-CE1 4.27Å; S110-Y211 PolarHBondContact O-OH 2.82Å; S111-Y211 WeakPolarHBondContact CA-OH 3.29Å; S111-Y211 PolarHBondContact N-OH 3.19Å; S111-Y211 VanDerWaalsContact N-OH 3.12Å; S208-Y211 WeakPolarHBondContact O-CB 3.48Å; S208-Y211 PolarHBondContact O-N 2.83Å; Y209-Y211 PolarHBondContact O-N 3.44Å; Y209-Y211 VanDerWaalsContact O-N 3.16Å; Y211-I217 HydrophobicContact CD1-CG2 3.53Å; Y211-I217 HydrophobicContact CE1-CG2 4Å; Y211-I217 HydrophobicContact CG-CG2 4.06Å; Y211-A218 VanDerWaalsContact O-CA 3.31Å; Y211-A218 WeakPolarHBondContact O-CA 3.49Å; Y211-V221 HydrophobicContact CD1-CG2 4.24Å
212L85.4Confident82.1Confident7 Ų721.1 Ų21.14%0.03711%0.111CC..Hα-helixtrans-110.5-35.9-180-167.257.7000113.3Y207 Y209 H210 A218 V231 F233 V447 F451Y207-L212 HydrophobicContact CE2-CB 4.02Å; Y209-L212 PolarHBondContact O-N 3.4Å; H210-L212 PolarHBondContact O-N 2.88Å; L212-A218 VanDerWaalsContact O-CB 3.28Å; L212-A218 WeakPolarHBondContact O-CB 3.35Å; L212-V231 HydrophobicContact CD2-CG1 3.58Å; L212-V231 HydrophobicContact CD2-CG2 4.34Å; L212-F233 HydrophobicContact CD2-CE1 4.01Å; L212-F233 HydrophobicContact CD2-CZ 3.67Å; L212-F233 HydrophobicContact CG-CZ 4.46Å; L212-V447 HydrophobicContact CD2-CG1 4.16Å; L212-V447 HydrophobicContact CG-CG1 4.44Å; L212-V447 HydrophobicContact CG-CG2 4.14Å; L212-F451 HydrophobicContact CD1-CE2 3.83Å; L212-F451 HydrophobicContact CD1-CZ 4.04Å
213L86.1Confident81Confident2 Ų227.8 Ų27.81%0.0114%0.139CC..Hα-helixtrans-96.7-23.9-175.1-62.3177.1000113.6Y209 P215 F233 I239 V242 I444 V447Y209-L213 PolarHBondContact O-N 3.39Å; L213-P215 VanDerWaalsContact O-CD 3.24Å; L213-P215 WeakPolarHBondContact O-CD 3.37Å; L213-F233 HydrophobicContact CD1-CE1 4.29Å; L213-F233 HydrophobicContact CD2-CE1 4.44Å; L213-F233 HydrophobicContact CD2-CZ 4Å; L213-F233 HydrophobicContact CG-CE1 4.28Å; L213-F233 HydrophobicContact CG-CZ 4.32Å; L213-I239 HydrophobicContact CD1-CG1 3.98Å; L213-V242 HydrophobicContact CD1-CB 4.45Å; L213-V242 HydrophobicContact CD1-CG1 3.9Å; L213-I444 HydrophobicContact CD2-CB 4.31Å; L213-I444 HydrophobicContact CD2-CD1 4.46Å; L213-I444 HydrophobicContact CD2-CG1 4.07Å; L213-V447 HydrophobicContact CD2-CG2 4.13Å
214D81.6Confident79.8Confident23 Ų2329.2 Ų29.212%0.12315%0.145CC..  trans-79.8110.8171.2-169.5-21000107.9H210 K216 I217 A218H210-D214 WeakPolarHBondContact O-CB 3.4Å; H210-D214 PolarHBondContact O-N 2.92Å; H210-D214 VanDerWaalsContact O-N 3.15Å; D214-K216 PolarHBondContact O-N 3.48Å; D214-K216 VanDerWaalsContact O-N 3.14Å; D214-K216 VanDerWaalsContact OD1-CB 3.32Å; D214-K216 WeakPolarHBondContact OD1-CB 3.13Å; D214-K216 WeakPolarHBondContact OD1-CG 3.42Å; D214-K216 PolarHBondContact OD1-N 3.31Å; D214-K216 VanDerWaalsContact OD1-N 3.09Å; D214-K216 IonicContact OD1-NZ 2.69Å; D214-I217 HydrophobicContact CB-CB 4.48Å; D214-I217 HydrophobicContact CB-CD1 4.27Å; D214-I217 HydrophobicContact CB-CG1 4.32Å; D214-I217 PolarHBondContact O-N 3.18Å; D214-A218 VanDerWaalsContact O-CB 3.25Å; D214-A218 WeakPolarHBondContact O-CB 3.02Å; D214-A218 PolarHBondContact O-N 2.72Å
215P74.5Confident79Confident23 Ų2329.5 Ų29.515%0.14915%0.146CC..Hα-helixtrans-62.4-25.9-175.431.3-41.4000112.6L213 I217 D219 M247 P308 V309L213-P215 VanDerWaalsContact O-CD 3.24Å; L213-P215 WeakPolarHBondContact O-CD 3.37Å; P215-I217 PolarHBondContact O-N 2.81Å; P215-D219 PolarHBondContact O-N 3.34Å; P215-M247 HydrophobicContact CB-CE 4.35Å; P215-M247 HydrophobicContact CG-CE 3.59Å; P215-M247 HydrophobicContact CG-SD 3.99Å; P215-P308 WeakPolarHBondContact CB-O 3.06Å; P215-P308 WeakPolarHBondContact CG-O 3.16Å; P215-V309 HydrophobicContact CG-CG2 3.97Å
216K73.5Confident78.1Confident32 Ų3231.5 Ų31.514%0.13916%0.163CC..Hα-helixtrans-60.9-32.7175.4-61.3167.2-163.3134.50112.9D214 S246 L305 A306 P308D214-K216 PolarHBondContact O-N 3.48Å; D214-K216 VanDerWaalsContact O-N 3.14Å; D214-K216 VanDerWaalsContact OD1-CB 3.32Å; D214-K216 WeakPolarHBondContact OD1-CB 3.13Å; D214-K216 WeakPolarHBondContact OD1-CG 3.42Å; D214-K216 PolarHBondContact OD1-N 3.31Å; D214-K216 VanDerWaalsContact OD1-N 3.09Å; D214-K216 IonicContact OD1-NZ 2.69Å; K216-S246 PolarHBondContact NZ-O 3.48Å; K216-L305 HydrophobicContact CB-CD2 3.92Å; K216-L305 HydrophobicContact CB-CG 4.31Å; K216-L305 HydrophobicContact CD-CD2 3.94Å; K216-L305 HydrophobicContact CG-CD2 4.31Å; K216-A306 PolarHBondContact O-N 3.05Å; K216-P308 HydrophobicContact CD-CB 4.25Å; K216-P308 HydrophobicContact CD-CG 4.09Å; K216-P308 HydrophobicContact CG-CB 3.61Å; K216-P308 HydrophobicContact CG-CG 3.71Å
217I76.6Confident77.6Confident43 Ų4339.2 Ų39.222%0.22120%0.196CC..Hα-helixtrans-101.8-39-176.2-53.7175.9000109.8Y211 D214 P215 D219 L220 V221Y211-I217 HydrophobicContact CD1-CG2 3.53Å; Y211-I217 HydrophobicContact CE1-CG2 4Å; Y211-I217 HydrophobicContact CG-CG2 4.06Å; D214-I217 HydrophobicContact CB-CB 4.48Å; D214-I217 HydrophobicContact CB-CD1 4.27Å; D214-I217 HydrophobicContact CB-CG1 4.32Å; D214-I217 PolarHBondContact O-N 3.18Å; P215-I217 PolarHBondContact O-N 2.81Å; I217-D219 VanDerWaalsContact C-N 3.3Å; I217-D219 PolarHBondContact O-N 3.34Å; I217-L220 VanDerWaalsContact O-CB 3.29Å; I217-L220 WeakPolarHBondContact O-CB 3.19Å; I217-L220 PolarHBondContact O-N 3.46Å; I217-V221 PolarHBondContact O-N 3.01Å
218A73.6Confident77.4Confident7 Ų744 Ų446%0.05822%0.217CC..Hα-helixtrans-59.7-38.6-177.200000111.7Y211 L212 D214 L220 V221 S222Y211-A218 VanDerWaalsContact O-CA 3.31Å; Y211-A218 WeakPolarHBondContact O-CA 3.49Å; L212-A218 VanDerWaalsContact O-CB 3.28Å; L212-A218 WeakPolarHBondContact O-CB 3.35Å; D214-A218 VanDerWaalsContact O-CB 3.25Å; D214-A218 WeakPolarHBondContact O-CB 3.02Å; D214-A218 PolarHBondContact O-N 2.72Å; A218-L220 PolarHBondContact O-N 2.87Å; A218-V221 PolarHBondContact O-N 3.28Å; A218-S222 VanDerWaalsContact O-CA 3.31Å; A218-S222 WeakPolarHBondContact O-CA 3.05Å; A218-S222 WeakPolarHBondContact O-CB 3.3Å; A218-S222 PolarHBondContact O-N 2.73Å; A218-S222 PolarHBondContact O-OG 3.42Å
219D69.2Low77.5Confident75 Ų7543.2 Ų43.240%0.40121%0.211SC..Hα-helixtrans-62.5-27.2177.4-76.4-11.6000113.1P215 I217 K223 A306P215-D219 PolarHBondContact O-N 3.34Å; I217-D219 VanDerWaalsContact C-N 3.3Å; I217-D219 PolarHBondContact O-N 3.34Å; D219-K223 VanDerWaalsContact O-CB 3.24Å; D219-K223 WeakPolarHBondContact O-CB 3.35Å; D219-A306 HydrophobicContact CB-CB 3.61Å
220L67.1Low77.8Confident28 Ų2843.2 Ų43.215%0.14721%0.211CC..Hα-helixtrans-77.4-31.7-179.7-56.6172.9000113.1R196 I217 A218 I303 A306R196-L220 PolarHBondContact NH2-O 2.88Å; I217-L220 VanDerWaalsContact O-CB 3.29Å; I217-L220 WeakPolarHBondContact O-CB 3.19Å; I217-L220 PolarHBondContact O-N 3.46Å; A218-L220 PolarHBondContact O-N 2.87Å; L220-I303 HydrophobicContact CD2-CB 3.85Å; L220-I303 HydrophobicContact CD2-CD1 4.48Å; L220-I303 HydrophobicContact CD2-CG2 3.35Å; L220-A306 HydrophobicContact CD2-CB 4.37Å; L220-A306 HydrophobicContact CG-CB 4.49Å
221V70.8Confident78.2Confident9 Ų939.3 Ų39.36%0.05519%0.193CC..Hα-helixtrans-107.5-46.5-173.7178.90000110.7L109 I199 Y207 Y211 I217 A218L109-V221 HydrophobicContact CD2-CG1 4.35Å; L109-V221 HydrophobicContact CD2-CG2 4.39Å; I199-V221 HydrophobicContact CD1-CG1 4.08Å; Y207-V221 HydrophobicContact CE1-CG1 4.13Å; Y211-V221 HydrophobicContact CD1-CG2 4.24Å; I217-V221 PolarHBondContact O-N 3.01Å; A218-V221 PolarHBondContact O-N 3.28Å
222S65.3Low78.7Confident10 Ų1037.8 Ų37.87%0.0719%0.187CC..Hα-helixtrans-68.3-37.9-174.779.60000111.9A218 E224 L225 R450A218-S222 VanDerWaalsContact O-CA 3.31Å; A218-S222 WeakPolarHBondContact O-CA 3.05Å; A218-S222 WeakPolarHBondContact O-CB 3.3Å; A218-S222 PolarHBondContact O-N 2.73Å; A218-S222 PolarHBondContact O-OG 3.42Å; S222-E224 PolarHBondContact O-N 3.08Å; S222-L225 VanDerWaalsContact O-CB 3.3Å; S222-L225 WeakPolarHBondContact O-CB 3.34Å; S222-L225 PolarHBondContact O-N 2.61Å; S222-R450 VanDerWaalsContact C-CZ 3.45Å; S222-R450 PolarHBondContact O-NH1 3.08Å; S222-R450 PolarHBondContact O-NH2 2.68Å; S222-R450 PolarHBondContact OG-NH1 3.06Å
223K66.5Low79.1Confident143 Ų14337.4 Ų37.462%0.62219%0.185SC*.THydrogen-bonded Turntrans-53.1-33.9-176.2-167.1168.9-175.8170.50113.1D219 L225 R450D219-K223 VanDerWaalsContact O-CB 3.24Å; D219-K223 WeakPolarHBondContact O-CB 3.35Å; K223-L225 VanDerWaalsContact C-N 3.35Å; K223-R450 VanDerWaalsContact C-NH2 3.29Å; K223-R450 VanDerWaalsContact CA-NH1 3.33Å; K223-R450 PolarHBondContact O-NH2 3.26Å
224E66.2Low79.4Confident78 Ų7838 Ų3836%0.36419%0.188SC..THydrogen-bonded Turntrans-80.5-10.6179.4-71175.3-162.100113.9L200 S222L200-E224 HydrophobicContact CD2-CB 3.71Å; L200-E224 HydrophobicContact CD2-CG 4.23Å; S222-E224 PolarHBondContact O-N 3.08Å
225L76Confident79.7Confident5 Ų539 Ų393%0.02619%0.192CC..SBendtrans-86139.8-177.5-56.6173.9000112.3K69 I71 I199 S222 K223 R450 F451K69-L225 HydrophobicContact CD-CD2 3.72Å; I71-L225 HydrophobicContact CD1-CD1 3.58Å; I71-L225 HydrophobicContact CD1-CG 4.48Å; I71-L225 HydrophobicContact CG1-CD1 4.23Å; I199-L225 HydrophobicContact CG2-CD2 3.52Å; S222-L225 VanDerWaalsContact O-CB 3.3Å; S222-L225 WeakPolarHBondContact O-CB 3.34Å; S222-L225 PolarHBondContact O-N 2.61Å; K223-L225 VanDerWaalsContact C-N 3.35Å; L225-R450 PolarHBondContact O-NH2 3.01Å; L225-F451 HydrophobicContact CB-CE1 4.32Å; L225-F451 HydrophobicContact CD1-CZ 4.43Å
226A75Confident80.4Confident43 Ų4337.9 Ų37.936%0.35519%0.185SC..  trans-66.5144.8178.100000111.7K228 S229A226-K228 PolarHBondContact O-N 2.85Å; A226-S229 WeakPolarHBondContact O-CB 3.48Å; A226-S229 PolarHBondContact O-N 3.49Å; A226-S229 PolarHBondContact O-OG 3Å
227K82.1Confident81Confident162 Ų16236.5 Ų36.570%0.70418%0.179SC*.THydrogen-bonded Turntrans-62.7-29.9174.8-63.6-175.7179.3-1760112.6S229 Q452K227-S229 PolarHBondContact O-N 3.38Å; K227-Q452 PolarHBondContact O-N 3.3Å
228K88.4Confident81.5Confident102 Ų10234.6 Ų34.644%0.44317%0.17SC..THydrogen-bonded Turntrans-78.537.1175.5-62.2-174.2173.4-1700113.2L65 T68 A226L65-K228 WeakPolarHBondContact O-CD 3.44Å; L65-K228 PolarHBondContact O-NZ 3.36Å; T68-K228 HydrophobicContact CG2-CB 4.08Å; T68-K228 HydrophobicContact CG2-CD 4.4Å; T68-K228 PolarHBondContact N-O 3.3Å; T68-K228 PolarHBondContact OG1-O 3.13Å; A226-K228 PolarHBondContact O-N 2.85Å
229S91.2Very high82.3Confident0 Ų034.3 Ų34.30%017%0.167CC..EExtended strand (participates in β ladder)trans-105.2144.4176.9-50.30000110.1K69 A226 K227K69-S229 VanDerWaalsContact O-CA 3.24Å; K69-S229 WeakPolarHBondContact O-CA 3.14Å; K69-S229 WeakPolarHBondContact O-CB 3.41Å; A226-S229 WeakPolarHBondContact O-CB 3.48Å; A226-S229 PolarHBondContact O-N 3.49Å; A226-S229 PolarHBondContact O-OG 3Å; K227-S229 PolarHBondContact O-N 3.38Å
230V93.8Very high83.3Confident1 Ų130.9 Ų30.91%0.00615%0.149CC..EExtended strand (participates in β ladder)trans-95.7126.6171.9178.20000107.7L32 I56 V67 K69 L70 I71 V232 S453L32-V230 HydrophobicContact CD2-CG1 3.89Å; L32-V230 HydrophobicContact CD2-CG2 3.84Å; I56-V230 HydrophobicContact CD1-CG1 4.42Å; V67-V230 HydrophobicContact CB-CG2 4.26Å; V67-V230 HydrophobicContact CG1-CB 4.37Å; V67-V230 HydrophobicContact CG1-CG2 3.54Å; V67-V230 HydrophobicContact CG2-CG2 3.65Å; K69-V230 PolarHBondContact O-N 2.89Å; L70-V230 HydrophobicContact CD1-CB 4.44Å; L70-V230 HydrophobicContact CD1-CG1 4.37Å; I71-V230 PolarHBondContact N-O 3.06Å; V230-V232 HydrophobicContact CG1-CG2 4.25Å; V230-S453 WeakPolarHBondContact CG2-OG 3.43Å
231V94.5Very high84.3Confident0 Ų031.3 Ų31.30%015%0.151CC..EExtended strand (participates in β ladder)trans-103.9132.9174.61790000109.2I71 L212 F233 F451 S453 V454 V455I71-V231 HydrophobicContact CB-CG2 4.14Å; I71-V231 HydrophobicContact CD1-CG2 3.93Å; I71-V231 HydrophobicContact CG2-CG2 4.44Å; I71-V231 CarbonylContact O-C 3.46Å; I71-V231 WeakPolarHBondContact O-CA 3.43Å; L212-V231 HydrophobicContact CD2-CG1 3.58Å; L212-V231 HydrophobicContact CD2-CG2 4.34Å; V231-F233 HydrophobicContact CG1-CD2 4.2Å; V231-F233 HydrophobicContact CG1-CE2 3.85Å; V231-F233 HydrophobicContact CG1-CZ 4.07Å; V231-F451 HydrophobicContact CG2-CB 3.94Å; V231-F451 HydrophobicContact CG2-CD1 3.81Å; V231-F451 HydrophobicContact CG2-CD2 3.54Å; V231-F451 HydrophobicContact CG2-CE1 4.16Å; V231-F451 HydrophobicContact CG2-CE2 3.94Å; V231-F451 HydrophobicContact CG2-CG 3.47Å; V231-F451 VanDerWaalsContact CG2-CG 3.47Å; V231-F451 HydrophobicContact CG2-CZ 4.22Å; V231-S453 PolarHBondContact N-O 2.9Å; V231-V454 HydrophobicContact CB-CG1 4.38Å; V231-V454 HydrophobicContact CB-CG2 4.26Å; V231-V454 HydrophobicContact CG1-CG1 4.42Å; V231-V454 CarbonylContact O-C 3.59Å; V231-V454 WeakPolarHBondContact O-CA 3.48Å; V231-V455 PolarHBondContact O-N 3.26Å
232V95.5Very high85.2Confident0 Ų031.2 Ų31.20%015%0.151CC..EExtended strand (participates in β ladder)trans-121.7118.4175.8175.90000108.6L52 I56 L70 I71 Y72 C73 V230 V455 T457L52-V232 HydrophobicContact CD1-CB 4.34Å; L52-V232 HydrophobicContact CD1-CG1 3.41Å; L52-V232 VanDerWaalsContact CD1-CG1 3.41Å; L52-V232 HydrophobicContact CD1-CG2 4.02Å; L52-V232 HydrophobicContact CD2-CB 4.43Å; L52-V232 HydrophobicContact CD2-CG1 3.97Å; L52-V232 HydrophobicContact CD2-CG2 4.08Å; L52-V232 HydrophobicContact CG-CG1 4.34Å; I56-V232 HydrophobicContact CD1-CG2 3.81Å; L70-V232 HydrophobicContact CD1-CB 4.42Å; L70-V232 HydrophobicContact CD1-CG2 3.71Å; I71-V232 PolarHBondContact O-N 3.36Å; Y72-V232 HydrophobicContact CD2-CB 4.48Å; Y72-V232 HydrophobicContact CD2-CG1 4.35Å; Y72-V232 HydrophobicContact CE2-CG1 4.29Å; C73-V232 WeakPolarHBondContact CB-O 3.47Å; C73-V232 PolarHBondContact N-O 3.47Å; V230-V232 HydrophobicContact CG1-CG2 4.25Å; V232-V455 CarbonylContact C-O 3.5Å; V232-V455 WeakPolarHBondContact CA-O 3.3Å; V232-V455 HydrophobicContact CG2-CB 4.28Å; V232-T457 HydrophobicContact CG1-CG2 4.12Å
233F94.5Very high86.3Confident0 Ų030.8 Ų30.80%015%0.147CC..EExtended strand (participates in β ladder)trans-96.3109.3168.3-68.1-72.1000108.7C73 Y209 L212 L213 V231 A236 I239 V447 V454 V455 I456 T457C73-F233 HydrophobicContact CB-CD1 3.61Å; C73-F233 HydrophobicContact CB-CE1 3.91Å; Y209-F233 AromaticContact CD1-CD1 3.67Å; Y209-F233 HydrophobicContact CD1-CD1 3.67Å; Y209-F233 HydrophobicContact CD1-CE1 4.17Å; Y209-F233 HydrophobicContact CE1-CB 4.41Å; Y209-F233 AromaticContact CE1-CD1 3.85Å; Y209-F233 HydrophobicContact CE1-CD1 3.85Å; L212-F233 HydrophobicContact CD2-CE1 4.01Å; L212-F233 HydrophobicContact CD2-CZ 3.67Å; L212-F233 HydrophobicContact CG-CZ 4.46Å; L213-F233 HydrophobicContact CD1-CE1 4.29Å; L213-F233 HydrophobicContact CD2-CE1 4.44Å; L213-F233 HydrophobicContact CD2-CZ 4Å; L213-F233 HydrophobicContact CG-CE1 4.28Å; L213-F233 HydrophobicContact CG-CZ 4.32Å; V231-F233 HydrophobicContact CG1-CD2 4.2Å; V231-F233 HydrophobicContact CG1-CE2 3.85Å; V231-F233 HydrophobicContact CG1-CZ 4.07Å; F233-A236 HydrophobicContact CB-CB 3.74Å; F233-I239 HydrophobicContact CD1-CD1 4.38Å; F233-I239 HydrophobicContact CD2-CD1 4.03Å; F233-I239 HydrophobicContact CE2-CD1 4.24Å; F233-I239 HydrophobicContact CG-CD1 4.09Å; F233-V447 HydrophobicContact CE2-CG1 4.31Å; F233-V447 HydrophobicContact CZ-CG1 4.34Å; F233-V454 HydrophobicContact CD2-CG1 3.75Å; F233-V454 HydrophobicContact CE2-CG1 3.67Å; F233-V455 PolarHBondContact N-O 2.92Å; F233-I456 HydrophobicContact CD2-CG1 4.3Å; F233-T457 WeakPolarHBondContact O-CG2 3.48Å; F233-T457 PolarHBondContact O-N 2.74Å; F233-T457 VanDerWaalsContact O-O 3.12Å
234D92Very high87.4Confident13 Ų1324.6 Ų24.67%0.0712%0.121CC..EExtended strand (participates in β ladder)trans-97.2143.7176.4-172.927.2000111.3Y72 C73 Y209 A236 T457Y72-D234 HydrophobicContact CE1-CB 3.55Å; Y72-D234 VanDerWaalsContact OH-CB 3.3Å; Y72-D234 WeakPolarHBondContact OH-CB 3.31Å; Y72-D234 PolarHBondContact OH-OD2 3.1Å; C73-D234 PolarHBondContact O-N 2.73Å; Y209-D234 PolarHBondContact OH-O 2.75Å; D234-A236 PolarHBondContact O-N 2.66Å; D234-T457 CarbonylContact C-O 3.54Å; D234-T457 HydrophobicContact CB-CG2 4.23Å
235E88.3Confident88.4Confident44 Ų4426 Ų2621%0.20613%0.131CC..SBendtrans56.133.9-170.3-70.8-58.8138.400114.2Y209 H237 T457Y209-E235 PolarHBondContact OH-O 3.45Å; E235-H237 PolarHBondContact O-CE1 3.3Å; E235-H237 PolarHBondContact O-N 3.36Å; E235-H237 PolarHBondContact O-ND1 3.05Å; E235-H237 IonicContact OE2-CE1 4Å; E235-H237 IonicContact OE2-ND1 3.14Å; E235-T457 PolarHBondContact N-O 2.63Å
236A88.5Confident88.9Confident0 Ų026.1 Ų26.10%013%0.132CC..G310 helixtrans-74.125.8-17100000116Y209 F233 D234 N238 I239 I456 T457Y209-A236 WeakPolarHBondContact OH-CA 3.43Å; Y209-A236 PolarHBondContact OH-N 3.15Å; F233-A236 HydrophobicContact CB-CB 3.74Å; D234-A236 PolarHBondContact O-N 2.66Å; A236-N238 VanDerWaalsContact C-N 3.3Å; A236-N238 PolarHBondContact O-N 2.85Å; A236-I239 PolarHBondContact O-N 2.97Å; A236-I456 HydrophobicContact CB-CG2 3.6Å; A236-T457 PolarHBondContact N-O 3.25Å
237H86.6Confident89.4Confident3 Ų324.4 Ų24.41%0.01412%0.117CC..G310 helixtrans-64.1-34.5-17856.2-86.2000111.9R75 E235 L461 Y467 R658 Q662R75-H237 PolarHBondContact NH1-NE2 3.1Å; E235-H237 PolarHBondContact O-CE1 3.3Å; E235-H237 PolarHBondContact O-N 3.36Å; E235-H237 PolarHBondContact O-ND1 3.05Å; E235-H237 IonicContact OE2-CE1 4Å; E235-H237 IonicContact OE2-ND1 3.14Å; H237-L461 HydrophobicContact CB-CD2 4.32Å; H237-Y467 PolarHBondContact O-OH 3.13Å; H237-Y467 VanDerWaalsContact O-OH 3.1Å; H237-R658 HydrophobicContact CB-CG 4.22Å; H237-R658 WeakPolarHBondContact O-CD 3.43Å; H237-R658 PolarHBondContact O-NH1 2.67Å; H237-Q662 PolarHBondContact CD2-OE1 3.23Å; H237-Q662 PolarHBondContact CE1-NE2 3.14Å; H237-Q662 VanDerWaalsContact NE2-CD 3.3Å; H237-Q662 PolarHBondContact NE2-NE2 2.69Å; H237-Q662 PolarHBondContact NE2-OE1 3.29Å
238N86.2Confident89.8Confident4 Ų418 Ų182%0.0219%0.092CC..G310 helixtrans-100.720.7-176.7-80.4-9.9000114.8R75 A236 D240 N241 V242 E606R75-N238 PolarHBondContact NH1-ND2 3.07Å; A236-N238 VanDerWaalsContact C-N 3.3Å; A236-N238 PolarHBondContact O-N 2.85Å; N238-D240 PolarHBondContact O-N 3.46Å; N238-N241 PolarHBondContact O-N 3.25Å; N238-N241 VanDerWaalsContact O-N 3.12Å; N238-V242 WeakPolarHBondContact O-CG2 3.28Å; N238-V242 PolarHBondContact O-N 3.3Å; N238-V242 VanDerWaalsContact O-N 3.08Å; N238-E606 PolarHBondContact ND2-OE1 3.28Å
239I90.1Very high89.9Confident0 Ų013.4 Ų13.40%07%0.073CC..Hα-helixtrans-58.8-34.3-175.5-162.9167.3000113L213 F233 A236 V242 C243 I444 I456 Y467 L471L213-I239 HydrophobicContact CD1-CG1 3.98Å; F233-I239 HydrophobicContact CD1-CD1 4.38Å; F233-I239 HydrophobicContact CD2-CD1 4.03Å; F233-I239 HydrophobicContact CE2-CD1 4.24Å; F233-I239 HydrophobicContact CG-CD1 4.09Å; A236-I239 PolarHBondContact O-N 2.97Å; I239-V242 PolarHBondContact O-N 2.8Å; I239-C243 PolarHBondContact O-N 3.48Å; I239-C243 PolarHBondContact O-SG 3.15Å; I239-I444 HydrophobicContact CD1-CD1 3.65Å; I239-I444 HydrophobicContact CG1-CD1 4.33Å; I239-I456 HydrophobicContact CD1-CD1 4.44Å; I239-Y467 HydrophobicContact CG2-CD1 4.48Å; I239-Y467 HydrophobicContact CG2-CE1 4.45Å; I239-L471 HydrophobicContact CG2-CD1 3.78Å; I239-L471 HydrophobicContact CG2-CD2 4.32Å
240D89.9Confident90Very high4 Ų417.6 Ų17.62%0.02110%0.095CC..Hα-helixtrans-63.2-45.5176.263.4-36.8000111.9N238 C243 I244 P440 I470 R636 R658N238-D240 PolarHBondContact O-N 3.46Å; D240-C243 PolarHBondContact O-N 3.5Å; D240-I244 VanDerWaalsContact O-CG1 3.29Å; D240-I244 WeakPolarHBondContact O-CG1 3.38Å; D240-I244 PolarHBondContact O-N 3.01Å; D240-P440 HydrophobicContact CB-CB 4.27Å; D240-P440 HydrophobicContact CB-CG 4.3Å; D240-I470 HydrophobicContact CB-CG2 4.32Å; D240-R636 IonicContact OD2-CZ 3.99Å; D240-R636 IonicContact OD2-NH1 3.95Å; D240-R636 IonicContact OD2-NH2 2.78Å; D240-R636 PolarHBondContact OD2-NH2 3.49Å; D240-R658 IonicContact OD1-CZ 2.87Å; D240-R658 IonicContact OD1-NH1 2.71Å; D240-R658 PolarHBondContact OD1-NH1 3.49Å; D240-R658 IonicContact OD1-NH2 3.21Å; D240-R658 IonicContact OD2-NH1 3.9Å; D240-R658 IonicContact OD2-NH2 2.76Å
241N88.8Confident90Very high37 Ų3717.5 Ų17.520%0.19810%0.095CC..Hα-helixtrans-65.7-40.7177.8-65-27.2000111N238 C243 I244 D245 R636 R658N238-N241 PolarHBondContact O-N 3.25Å; N238-N241 VanDerWaalsContact O-N 3.12Å; N241-C243 VanDerWaalsContact C-N 3.31Å; N241-C243 PolarHBondContact O-N 3.02Å; N241-I244 PolarHBondContact O-N 2.77Å; N241-D245 WeakPolarHBondContact O-CB 3.21Å; N241-D245 VanDerWaalsContact O-CG 3.23Å; N241-D245 PolarHBondContact O-N 3.04Å; N241-R636 PolarHBondContact OD1-NH1 3.32Å; N241-R636 VanDerWaalsContact OD1-NH1 3.1Å; N241-R658 PolarHBondContact ND2-NH2 2.77Å
242V89.6Confident89.9Confident7 Ų719.5 Ų19.54%0.04211%0.107CC..Hα-helixtrans-61.7-39.7176.41770000111.6Y209 L213 N238 I239 S246Y209-V242 HydrophobicContact CD2-CG2 4.12Å; L213-V242 HydrophobicContact CD1-CB 4.45Å; L213-V242 HydrophobicContact CD1-CG1 3.9Å; N238-V242 WeakPolarHBondContact O-CG2 3.28Å; N238-V242 PolarHBondContact O-N 3.3Å; N238-V242 VanDerWaalsContact O-N 3.08Å; I239-V242 PolarHBondContact O-N 2.8Å; V242-S246 WeakPolarHBondContact O-CB 3.43Å; V242-S246 PolarHBondContact O-N 2.94Å; V242-S246 PolarHBondContact O-OG 3.39Å
243C89.5Confident89.6Confident0 Ų026.7 Ų26.70%013%0.134CC..Hα-helixtrans-67.1-37.4175.9-68.30000112.7I239 D240 N241 S246 P440 A443I239-C243 PolarHBondContact O-N 3.48Å; I239-C243 PolarHBondContact O-SG 3.15Å; D240-C243 PolarHBondContact O-N 3.5Å; N241-C243 VanDerWaalsContact C-N 3.31Å; N241-C243 PolarHBondContact O-N 3.02Å; C243-S246 PolarHBondContact O-OG 3.13Å; C243-P440 HydrophobicContact CB-CB 3.7Å; C243-A443 HydrophobicContact CB-CB 3.82Å
244I89.6Confident89.5Confident13 Ų1335.9 Ų35.97%0.06717%0.169CC..Hα-helixtrans-69.8-43.6177-70.8165.5000110.5D240 N241 S246 M247 S248 C437 P440 R636D240-I244 VanDerWaalsContact O-CG1 3.29Å; D240-I244 WeakPolarHBondContact O-CG1 3.38Å; D240-I244 PolarHBondContact O-N 3.01Å; N241-I244 PolarHBondContact O-N 2.77Å; I244-S246 VanDerWaalsContact C-N 3.35Å; I244-S246 PolarHBondContact O-N 3.5Å; I244-M247 PolarHBondContact O-N 2.82Å; I244-S248 WeakPolarHBondContact O-CB 3.4Å; I244-S248 PolarHBondContact O-N 2.91Å; I244-S248 PolarHBondContact O-OG 3.27Å; I244-C437 WeakPolarHBondContact CG1-O 3.34Å; I244-C437 VanDerWaalsContact CG2-O 3.23Å; I244-C437 WeakPolarHBondContact CG2-O 3.34Å; I244-P440 HydrophobicContact CG1-CB 4.46Å; I244-R636 VanDerWaalsContact CD1-NH1 3.33Å
245D87.3Confident89.5Confident108 Ų10836.5 Ų36.558%0.57817%0.173SC*.Hα-helixtrans-67.7-33.7-179.5-70.8-15.2000112.2N241 M247 S248N241-D245 WeakPolarHBondContact O-CB 3.21Å; N241-D245 VanDerWaalsContact O-CG 3.23Å; N241-D245 PolarHBondContact O-N 3.04Å; D245-M247 VanDerWaalsContact C-N 3.33Å; D245-M247 PolarHBondContact O-N 3.03Å; D245-S248 WeakPolarHBondContact CA-OG 3.31Å
246S85.3Confident89.7Confident8 Ų834.5 Ų34.56%0.05616%0.164CC..Hα-helixtrans-67.6-33.6178.968.80000113.2K216 V242 C243 I244K216-S246 PolarHBondContact NZ-O 3.48Å; V242-S246 WeakPolarHBondContact O-CB 3.43Å; V242-S246 PolarHBondContact O-N 2.94Å; V242-S246 PolarHBondContact O-OG 3.39Å; C243-S246 PolarHBondContact O-OG 3.13Å; I244-S246 VanDerWaalsContact C-N 3.35Å; I244-S246 PolarHBondContact O-N 3.5Å
247M86.6Confident89.9Confident7 Ų738 Ų383%0.03418%0.183CC..Hα-helixtrans-97.4-18.6-176.9-67.4-65.5-171.200113.9P215 I244 D245 V309 F414 C437 A443P215-M247 HydrophobicContact CB-CE 4.35Å; P215-M247 HydrophobicContact CG-CE 3.59Å; P215-M247 HydrophobicContact CG-SD 3.99Å; I244-M247 PolarHBondContact O-N 2.82Å; D245-M247 VanDerWaalsContact C-N 3.33Å; D245-M247 PolarHBondContact O-N 3.03Å; M247-V309 HydrophobicContact CE-CG1 4.02Å; M247-V309 HydrophobicContact CE-CG2 4.05Å; M247-V309 HydrophobicContact SD-CG1 4.39Å; M247-V309 HydrophobicContact SD-CG2 3.51Å; M247-V309 VanDerWaalsContact SD-CG2 3.51Å; M247-F414 HydrophobicContact CB-CE1 4.04Å; M247-F414 HydrophobicContact CB-CZ 4.21Å; M247-C437 HydrophobicContact CB-CB 3.79Å; M247-A443 HydrophobicContact CE-CB 3.94Å; M247-A443 HydrophobicContact CG-CB 4.17Å
248S90.1Very high90.2Very high26 Ų2645.6 Ų45.618%0.18221%0.211CC..  trans-80.7150.1179.362.80000112.6I244 D245 F435I244-S248 WeakPolarHBondContact O-CB 3.4Å; I244-S248 PolarHBondContact O-N 2.91Å; I244-S248 PolarHBondContact O-OG 3.27Å; D245-S248 WeakPolarHBondContact CA-OG 3.31Å; S248-F435 CarbonylContact C-O 3.5Å; S248-F435 WeakPolarHBondContact CA-O 3.16Å; S248-F435 VanDerWaalsContact CB-O 3.31Å; S248-F435 WeakPolarHBondContact CB-O 3.38Å
249V90.9Very high90.5Very high7 Ų745.6 Ų45.64%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-136.2129.8-179.5178.30000109.7I251 L399 F403 L406 F435V249-I251 HydrophobicContact CG1-CG1 4.12Å; V249-L399 HydrophobicContact CG1-CD1 3.68Å; V249-L399 HydrophobicContact CG1-CD2 4.49Å; V249-L399 HydrophobicContact CG1-CG 3.94Å; V249-F403 HydrophobicContact CG1-CB 4.25Å; V249-L406 HydrophobicContact CG2-CD1 3.66Å; V249-F435 HydrophobicContact CB-CB 4.3Å; V249-F435 PolarHBondContact N-O 3.19Å; V249-F435 PolarHBondContact O-N 3.46Å
250N92.4Very high90.7Very high87 Ų8746.9 Ų46.947%0.46522%0.217SC..EExtended strand (participates in β ladder)trans-108.7126176-62.7-28.3000110H434N250-H434 PolarHBondContact OD1-ND1 3.01Å
251I93.2Very high90.8Very high0 Ų051.4 Ų51.40%024%0.242CC..EExtended strand (participates in β ladder)trans-116.2122.2179.3-58.3-179.9000108.5V249 L256 F403 V432 L433V249-I251 HydrophobicContact CG1-CG1 4.12Å; I251-L256 HydrophobicContact CG2-CD2 3.63Å; I251-L256 HydrophobicContact CG2-CG 3.97Å; I251-F403 HydrophobicContact CD1-CB 4.01Å; I251-F403 HydrophobicContact CD1-CD1 3.73Å; I251-F403 HydrophobicContact CD1-CD2 4.05Å; I251-F403 HydrophobicContact CD1-CE1 4.2Å; I251-F403 HydrophobicContact CD1-CE2 4.49Å; I251-F403 HydrophobicContact CD1-CG 3.64Å; I251-V432 WeakPolarHBondContact O-CA 3.17Å; I251-L433 HydrophobicContact CB-CB 4.32Å; I251-L433 HydrophobicContact CD1-CD2 4.37Å; I251-L433 PolarHBondContact N-O 2.69Å; I251-L433 PolarHBondContact O-N 3.45Å
252T92.4Very high90.9Very high42 Ų4250.5 Ų50.526%0.25824%0.237SC..EExtended strand (participates in β ladder)trans-107.8161.9176.669.30000110.5R254 T255 L256 V432T252-R254 VanDerWaalsContact C-N 3.26Å; T252-R254 PolarHBondContact O-N 2.83Å; T252-T255 WeakPolarHBondContact O-CA 3.36Å; T252-T255 VanDerWaalsContact O-CB 3.26Å; T252-T255 WeakPolarHBondContact O-CB 3.37Å; T252-T255 PolarHBondContact O-N 3.4Å; T252-T255 PolarHBondContact OG1-N 2.88Å; T252-T255 PolarHBondContact OG1-OG1 3.33Å; T252-L256 PolarHBondContact O-N 2.82Å; T252-L256 VanDerWaalsContact O-N 3.15Å; T252-V432 HydrophobicContact CG2-CG1 4.39Å; T252-V432 HydrophobicContact CG2-CG2 4.25Å
253R90.6Very high91Very high151 Ų15150.2 Ų50.257%0.5724%0.235SC*.Hα-helixtrans-53.6-42.4171.8-175.7174.6176.31740.3112.9T255 L256 D257 P431R253-T255 VanDerWaalsContact C-N 3.25Å; R253-T255 PolarHBondContact O-N 2.81Å; R253-L256 WeakPolarHBondContact O-CB 3.02Å; R253-L256 PolarHBondContact O-N 3.27Å; R253-D257 PolarHBondContact O-N 2.84Å; R253-P431 HydrophobicContact CB-CG 4.3Å
254R91.5Very high91.1Very high193 Ų19352.7 Ų52.773%0.72825%0.248SC*.Hα-helixtrans-59.2-37.2176.6-64.9-178.7-179.3174.50.7112.1T252 R258T252-R254 VanDerWaalsContact C-N 3.26Å; T252-R254 PolarHBondContact O-N 2.83Å; R254-R258 WeakPolarHBondContact O-CG 3.35Å; R254-R258 PolarHBondContact O-N 2.96Å
255T92.3Very high91.1Very high25 Ų2555.1 Ų55.115%0.15326%0.264CS..Hα-helixtrans-64.1-42.9174.7-51.30000111.2T252 R253 R258 C259 A396 L399T252-T255 WeakPolarHBondContact O-CA 3.36Å; T252-T255 VanDerWaalsContact O-CB 3.26Å; T252-T255 WeakPolarHBondContact O-CB 3.37Å; T252-T255 PolarHBondContact O-N 3.4Å; T252-T255 PolarHBondContact OG1-N 2.88Å; T252-T255 PolarHBondContact OG1-OG1 3.33Å; R253-T255 VanDerWaalsContact C-N 3.25Å; R253-T255 PolarHBondContact O-N 2.81Å; T255-R258 PolarHBondContact O-N 3.19Å; T255-C259 WeakPolarHBondContact O-CB 3.46Å; T255-C259 PolarHBondContact O-N 3.23Å; T255-A396 HydrophobicContact CG2-CB 4.1Å; T255-L399 HydrophobicContact CG2-CD2 3.97Å
256L92.6Very high91.2Very high3 Ų350 Ų502%0.01624%0.237CC..Hα-helixtrans-67-39.8179.1-60.6179.6000112.2I251 T252 R253 C259 Q260 L337 L340 K341 L344 I400I251-L256 HydrophobicContact CG2-CD2 3.63Å; I251-L256 HydrophobicContact CG2-CG 3.97Å; T252-L256 PolarHBondContact O-N 2.82Å; T252-L256 VanDerWaalsContact O-N 3.15Å; R253-L256 WeakPolarHBondContact O-CB 3.02Å; R253-L256 PolarHBondContact O-N 3.27Å; L256-C259 WeakPolarHBondContact O-CB 3.44Å; L256-C259 PolarHBondContact O-N 2.79Å; L256-Q260 PolarHBondContact O-N 2.81Å; L256-L337 HydrophobicContact CB-CD1 4.09Å; L256-L337 HydrophobicContact CD2-CD1 3.7Å; L256-L337 HydrophobicContact CG-CD1 4.47Å; L256-L340 HydrophobicContact CD1-CB 4.45Å; L256-L340 HydrophobicContact CD2-CB 4.08Å; L256-L340 HydrophobicContact CD2-CD1 4.25Å; L256-K341 HydrophobicContact CB-CG 4.24Å; L256-K341 HydrophobicContact CD1-CG 3.93Å; L256-L344 HydrophobicContact CD1-CB 4.5Å; L256-L344 HydrophobicContact CD1-CD1 4.05Å; L256-L344 HydrophobicContact CD1-CD2 3.75Å; L256-L344 HydrophobicContact CD1-CG 4.31Å; L256-I400 HydrophobicContact CD2-CD1 3.89Å
257D92.4Very high91.5Very high73 Ų7354.1 Ų54.139%0.3926%0.255SS..Hα-helixtrans-66.6-40.9177.5-64.8-28.8000111.1R253 C259 Q260 N261R253-D257 PolarHBondContact O-N 2.84Å; D257-C259 VanDerWaalsContact C-N 3.35Å; D257-Q260 WeakPolarHBondContact O-CB 3.36Å; D257-Q260 PolarHBondContact O-N 2.89Å; D257-N261 PolarHBondContact O-N 3.01Å
258R92.5Very high91.6Very high163 Ų16358.5 Ų58.562%0.61528%0.278SS*.Hα-helixtrans-63.1-40.6171.1-72.7179.5-179.5-172.6-1112.1R254 T255 Q260 N261 N262 A396R254-R258 WeakPolarHBondContact O-CG 3.35Å; R254-R258 PolarHBondContact O-N 2.96Å; T255-R258 PolarHBondContact O-N 3.19Å; R258-Q260 VanDerWaalsContact C-N 3.31Å; R258-Q260 PolarHBondContact O-N 3.31Å; R258-N261 PolarHBondContact O-N 3.27Å; R258-N262 PolarHBondContact O-N 3.46Å; R258-N262 PolarHBondContact O-OD1 3.46Å; R258-A396 HydrophobicContact CB-CB 3.92Å
259C93.1Very high91.5Very high4 Ų459.2 Ų59.23%0.02728%0.282CS..Hα-helixtrans-60.8-40.8175.9-176.80000111.8T255 L256 D257 N261 N262 V263 L337 A396 V397 I400T255-C259 WeakPolarHBondContact O-CB 3.46Å; T255-C259 PolarHBondContact O-N 3.23Å; L256-C259 WeakPolarHBondContact O-CB 3.44Å; L256-C259 PolarHBondContact O-N 2.79Å; D257-C259 VanDerWaalsContact C-N 3.35Å; C259-N261 PolarHBondContact O-N 3.44Å; C259-N262 WeakPolarHBondContact O-CB 3.29Å; C259-N262 PolarHBondContact O-N 3.01Å; C259-V263 VanDerWaalsContact O-CG2 3.29Å; C259-V263 WeakPolarHBondContact O-CG2 3.39Å; C259-V263 PolarHBondContact O-N 3.27Å; C259-L337 HydrophobicContact CB-CD1 4.02Å; C259-L337 HydrophobicContact CB-CD2 4.32Å; C259-A396 HydrophobicContact CB-CB 4.2Å; C259-V397 HydrophobicContact CB-CG2 4.42Å; C259-I400 HydrophobicContact CB-CD1 3.35Å; C259-I400 WeakPolarHBondContact SG-CD1 3.37Å
260Q93.7Very high91.4Very high26 Ų2659.2 Ų59.212%0.12128%0.281CS..Hα-helixtrans-55.9-52.3176-176.959.350.800111.2L256 D257 R258 N262 V263 D264 R334 L337L256-Q260 PolarHBondContact O-N 2.81Å; D257-Q260 WeakPolarHBondContact O-CB 3.36Å; D257-Q260 PolarHBondContact O-N 2.89Å; R258-Q260 VanDerWaalsContact C-N 3.31Å; R258-Q260 PolarHBondContact O-N 3.31Å; Q260-N262 VanDerWaalsContact C-N 3.27Å; Q260-N262 PolarHBondContact O-N 2.88Å; Q260-V263 PolarHBondContact O-N 3.49Å; Q260-V263 VanDerWaalsContact O-N 3.16Å; Q260-D264 PolarHBondContact NE2-OD1 3.31Å; Q260-D264 PolarHBondContact NE2-OD2 2.85Å; Q260-D264 PolarHBondContact O-N 3.12Å; Q260-D264 VanDerWaalsContact O-OD2 3.08Å; Q260-R334 VanDerWaalsContact NE2-NH1 3.11Å; Q260-L337 HydrophobicContact CB-CD2 3.97Å; Q260-L337 VanDerWaalsContact OE1-CD2 3.24Å
261N92.5Very high91.2Very high99 Ų9960.2 Ų60.253%0.52928%0.283SS..Hα-helixtrans-60.4-38.9178.8-63.8-14.6000111.9D257 R258 C259 D264 T265D257-N261 PolarHBondContact O-N 3.01Å; R258-N261 PolarHBondContact O-N 3.27Å; C259-N261 PolarHBondContact O-N 3.44Å; N261-D264 PolarHBondContact O-N 3.06Å; N261-T265 WeakPolarHBondContact O-CB 3.46Å; N261-T265 PolarHBondContact O-N 3.43Å; N261-T265 PolarHBondContact O-OG1 3.44Å
262N91.1Very high90.9Very high19 Ų1966.7 Ų66.710%0.10231%0.311CS..Hα-helixtrans-67.3-40.3177.6-68.9-3.5000111.9R258 C259 Q260 T265 L266 D393 F394 V397R258-N262 PolarHBondContact O-N 3.46Å; R258-N262 PolarHBondContact O-OD1 3.46Å; C259-N262 WeakPolarHBondContact O-CB 3.29Å; C259-N262 PolarHBondContact O-N 3.01Å; Q260-N262 VanDerWaalsContact C-N 3.27Å; Q260-N262 PolarHBondContact O-N 2.88Å; N262-T265 PolarHBondContact O-N 2.92Å; N262-L266 WeakPolarHBondContact O-CB 3.46Å; N262-L266 VanDerWaalsContact O-CG 3.32Å; N262-L266 WeakPolarHBondContact O-CG 3.42Å; N262-L266 PolarHBondContact O-N 3.21Å; N262-D393 PolarHBondContact ND2-O 3.48Å; N262-D393 PolarHBondContact OD1-O 3.42Å; N262-F394 HydrophobicContact CB-CD1 4.04Å; N262-F394 HydrophobicContact CB-CE1 4.2Å; N262-V397 HydrophobicContact CB-CG2 3.28Å
263V91.5Very high90.5Very high1 Ų165.8 Ų65.81%0.00631%0.305CS..Hα-helixtrans-64.7-41175.7170.90000110.6C259 Q260 L266 Q267 V330 L333 R334 V397C259-V263 VanDerWaalsContact O-CG2 3.29Å; C259-V263 WeakPolarHBondContact O-CG2 3.39Å; C259-V263 PolarHBondContact O-N 3.27Å; Q260-V263 PolarHBondContact O-N 3.49Å; Q260-V263 VanDerWaalsContact O-N 3.16Å; V263-L266 PolarHBondContact O-N 3.44Å; V263-Q267 PolarHBondContact O-N 2.84Å; V263-V330 HydrophobicContact CG1-CG1 3.9Å; V263-L333 HydrophobicContact CG2-CB 4.43Å; V263-R334 HydrophobicContact CG1-CB 4.42Å; V263-V397 HydrophobicContact CG2-CG2 4.24Å
264D91.7Very high90.2Very high51 Ų5163.5 Ų63.527%0.27330%0.299SS..Hα-helixtrans-65.8-39.6175.2-64.9-40.1000111.4Q260 N261 Q267 N268 R334Q260-D264 PolarHBondContact NE2-OD1 3.31Å; Q260-D264 PolarHBondContact NE2-OD2 2.85Å; Q260-D264 PolarHBondContact O-N 3.12Å; Q260-D264 VanDerWaalsContact O-OD2 3.08Å; N261-D264 PolarHBondContact O-N 3.06Å; D264-Q267 PolarHBondContact O-N 3.1Å; D264-N268 VanDerWaalsContact O-CG 3.31Å; D264-N268 PolarHBondContact O-N 3.33Å; D264-N268 PolarHBondContact O-ND2 2.93Å; D264-R334 IonicContact OD1-CZ 2.63Å; D264-R334 VanDerWaalsContact OD1-CZ 3.3Å; D264-R334 IonicContact OD1-NH1 3.01Å; D264-R334 PolarHBondContact OD1-NH1 2.94Å; D264-R334 IonicContact OD1-NH2 3.93Å; D264-R334 PolarHBondContact OD1-NH2 3.28Å
265T90.4Very high90Very high65 Ų6561.2 Ų61.240%0.39930%0.296SS..Hα-helixtrans-63.7-44.4173.9-550000111.5N261 N262 Q267 N268 T269 F394N261-T265 WeakPolarHBondContact O-CB 3.46Å; N261-T265 PolarHBondContact O-N 3.43Å; N261-T265 PolarHBondContact O-OG1 3.44Å; N262-T265 PolarHBondContact O-N 2.92Å; T265-Q267 VanDerWaalsContact C-N 3.31Å; T265-Q267 PolarHBondContact O-N 3.07Å; T265-N268 PolarHBondContact O-N 3.03Å; T265-T269 WeakPolarHBondContact O-CG2 3.13Å; T265-T269 PolarHBondContact O-N 3.05Å; T265-T269 PolarHBondContact O-OG1 2.95Å; T265-F394 HydrophobicContact CG2-CZ 4.21Å
266L88.6Confident89.5Confident1 Ų165.4 Ų65.41%0.00532%0.322CS..Hα-helixtrans-60.9-40.3174.9-73.7174.2000111.8N262 V263 N268 T269 I270 L379 L383 L386 I388 F394N262-L266 WeakPolarHBondContact O-CB 3.46Å; N262-L266 VanDerWaalsContact O-CG 3.32Å; N262-L266 WeakPolarHBondContact O-CG 3.42Å; N262-L266 PolarHBondContact O-N 3.21Å; V263-L266 PolarHBondContact O-N 3.44Å; L266-N268 VanDerWaalsContact C-N 3.33Å; L266-N268 PolarHBondContact O-N 3.43Å; L266-T269 WeakPolarHBondContact CA-OG1 3.33Å; L266-T269 PolarHBondContact O-N 3.18Å; L266-T269 PolarHBondContact O-OG1 2.93Å; L266-I270 WeakPolarHBondContact O-CB 3.47Å; L266-I270 VanDerWaalsContact O-CD1 3.25Å; L266-I270 WeakPolarHBondContact O-CD1 3.31Å; L266-I270 WeakPolarHBondContact O-CG1 3.45Å; L266-I270 PolarHBondContact O-N 3.49Å; L266-L379 HydrophobicContact CD1-CD1 4.29Å; L266-L383 HydrophobicContact CD2-CD2 3.93Å; L266-L386 HydrophobicContact CD2-CD1 3.76Å; L266-I388 HydrophobicContact CD2-CD1 3.72Å; L266-F394 HydrophobicContact CD1-CD1 4.39Å; L266-F394 HydrophobicContact CD1-CE1 4.39Å; L266-F394 HydrophobicContact CD2-CD1 4.18Å; L266-F394 HydrophobicContact CD2-CE1 3.71Å; L266-F394 HydrophobicContact CD2-CZ 4.3Å; L266-F394 HydrophobicContact CG-CD1 4.19Å; L266-F394 HydrophobicContact CG-CE1 3.71Å
267Q91Very high88.7Confident93 Ų9368 Ų6844%0.43534%0.336SS..Hα-helixtrans-61.9-43.8177.1-173.2171.1-21.400111.5V263 D264 T265 I270 H271 V330V263-Q267 PolarHBondContact O-N 2.84Å; D264-Q267 PolarHBondContact O-N 3.1Å; T265-Q267 VanDerWaalsContact C-N 3.31Å; T265-Q267 PolarHBondContact O-N 3.07Å; Q267-I270 PolarHBondContact O-N 3.1Å; Q267-H271 PolarHBondContact O-N 2.9Å; Q267-V330 HydrophobicContact CB-CG1 4.1Å
268N90.3Very high88.2Confident99 Ų9966 Ų6653%0.52933%0.33SS..Hα-helixtrans-67.2-39.5178.5-68.7-25.6000112.3D264 T265 L266 H271 K272D264-N268 VanDerWaalsContact O-CG 3.31Å; D264-N268 PolarHBondContact O-N 3.33Å; D264-N268 PolarHBondContact O-ND2 2.93Å; T265-N268 PolarHBondContact O-N 3.03Å; L266-N268 VanDerWaalsContact C-N 3.33Å; L266-N268 PolarHBondContact O-N 3.43Å; N268-H271 PolarHBondContact O-N 3.47Å; N268-K272 WeakPolarHBondContact O-CG 3.39Å; N268-K272 PolarHBondContact O-N 3.11Å
269T87.1Confident87.6Confident42 Ų4261.2 Ų61.226%0.25833%0.325SS..Hα-helixtrans-68.9-38.9177.254.60000111.9T265 L266 H271 K272 I273T265-T269 WeakPolarHBondContact O-CG2 3.13Å; T265-T269 PolarHBondContact O-N 3.05Å; T265-T269 PolarHBondContact O-OG1 2.95Å; L266-T269 WeakPolarHBondContact CA-OG1 3.33Å; L266-T269 PolarHBondContact O-N 3.18Å; L266-T269 PolarHBondContact O-OG1 2.93Å; T269-H271 VanDerWaalsContact C-N 3.31Å; T269-H271 PolarHBondContact O-N 2.82Å; T269-K272 PolarHBondContact O-N 2.95Å; T269-I273 PolarHBondContact O-N 3.25Å
270I88.1Confident86.9Confident6 Ų664.7 Ų64.73%0.03134%0.34CS..Hα-helixtrans-62.5-40.3173.6-68.2160.3000110.8L266 Q267 I273 K274 A326 E327 V330 L382 L386L266-I270 WeakPolarHBondContact O-CB 3.47Å; L266-I270 VanDerWaalsContact O-CD1 3.25Å; L266-I270 WeakPolarHBondContact O-CD1 3.31Å; L266-I270 WeakPolarHBondContact O-CG1 3.45Å; L266-I270 PolarHBondContact O-N 3.49Å; Q267-I270 PolarHBondContact O-N 3.1Å; I270-I273 PolarHBondContact O-N 3.11Å; I270-K274 WeakPolarHBondContact O-CB 3.46Å; I270-K274 PolarHBondContact O-N 3Å; I270-A326 HydrophobicContact CD1-CB 4.08Å; I270-A326 HydrophobicContact CG1-CB 4.45Å; I270-A326 HydrophobicContact CG2-CB 4.28Å; I270-E327 HydrophobicContact CG2-CG 4.4Å; I270-V330 HydrophobicContact CD1-CG2 3.48Å; I270-V330 VanDerWaalsContact CD1-CG2 3.48Å; I270-L382 HydrophobicContact CD1-CD1 4.48Å; I270-L382 HydrophobicContact CD1-CD2 4.27Å; I270-L386 HydrophobicContact CG1-CD1 3.99Å; I270-L386 HydrophobicContact CG1-CD2 3.89Å
271H88.1Confident86.1Confident108 Ų10865 Ų6550%0.534%0.342SS..Hα-helixtrans-63-47.4177.2-167.157.8000111.5Q267 N268 T269 I273 K274 E275Q267-H271 PolarHBondContact O-N 2.9Å; N268-H271 PolarHBondContact O-N 3.47Å; T269-H271 VanDerWaalsContact C-N 3.31Å; T269-H271 PolarHBondContact O-N 2.82Å; H271-I273 PolarHBondContact O-N 2.86Å; H271-K274 WeakPolarHBondContact O-CB 3.48Å; H271-K274 PolarHBondContact O-N 3.38Å; H271-E275 IonicContact NE2-OE1 3.69Å; H271-E275 PolarHBondContact O-N 3.21Å
272K87.4Confident85.5Confident137 Ų13769 Ų6960%0.59635%0.35SS*.Hα-helixtrans-59-44.5175.5-71175-179.1-177.30112.5N268 T269 K274 E275 T276N268-K272 WeakPolarHBondContact O-CG 3.39Å; N268-K272 PolarHBondContact O-N 3.11Å; T269-K272 PolarHBondContact O-N 2.95Å; K272-K274 VanDerWaalsContact C-N 3.29Å; K272-K274 PolarHBondContact O-N 3.33Å; K272-E275 PolarHBondContact O-N 2.96Å; K272-T276 PolarHBondContact O-N 3.12Å; K272-T276 PolarHBondContact O-OG1 2.96Å
273I84.3Confident84.9Confident22 Ų2271.6 Ų71.611%0.11336%0.361CS..Hα-helixtrans-71.2-27.4-177.8-141.6160.5000112.5T269 I270 H271 E275 T276 D277 L281 L386T269-I273 PolarHBondContact O-N 3.25Å; I270-I273 PolarHBondContact O-N 3.11Å; H271-I273 PolarHBondContact O-N 2.86Å; I273-E275 VanDerWaalsContact C-N 3.31Å; I273-T276 WeakPolarHBondContact CA-OG1 3.35Å; I273-T276 PolarHBondContact O-N 3.42Å; I273-D277 CarbonylContact O-C 3.32Å; I273-D277 WeakPolarHBondContact O-CA 3.38Å; I273-D277 PolarHBondContact O-N 3.09Å; I273-L281 HydrophobicContact CG2-CD1 3.77Å; I273-L281 HydrophobicContact CG2-CD2 4.2Å; I273-L281 HydrophobicContact CG2-CG 4.07Å; I273-L386 HydrophobicContact CD1-CD2 4.2Å; I273-L386 HydrophobicContact CG2-CD2 4Å
274K85.1Confident84.1Confident103 Ų10372 Ų7245%0.44836%0.363SS..Hα-helixtrans-67.7-34.3173.4-170.5179.9-174.61780111.6I270 H271 K272 L281 E327I270-K274 WeakPolarHBondContact O-CB 3.46Å; I270-K274 PolarHBondContact O-N 3Å; H271-K274 WeakPolarHBondContact O-CB 3.48Å; H271-K274 PolarHBondContact O-N 3.38Å; K272-K274 VanDerWaalsContact C-N 3.29Å; K272-K274 PolarHBondContact O-N 3.33Å; K274-L281 HydrophobicContact CB-CD1 4.42Å; K274-E327 IonicContact NZ-OE1 3.35Å; K274-E327 PolarHBondContact NZ-OE1 3.02Å; K274-E327 IonicContact NZ-OE2 2.73Å
275E85.3Confident83.3Confident145 Ų14574.7 Ų74.768%0.67837%0.37SS*.Hα-helixtrans-74.1-39.9174.4-66.8-178.2160.600112.3H271 K272 I273H271-E275 IonicContact NE2-OE1 3.69Å; H271-E275 PolarHBondContact O-N 3.21Å; K272-E275 PolarHBondContact O-N 2.96Å; I273-E275 VanDerWaalsContact C-N 3.31Å
276T83.3Confident82.7Confident114 Ų11478.6 Ų78.670%0.69938%0.378SS*.Hα-helixtrans-84.7-43.7-176.554.60000113.9K272 I273K272-T276 PolarHBondContact O-N 3.12Å; K272-T276 PolarHBondContact O-OG1 2.96Å; I273-T276 WeakPolarHBondContact CA-OG1 3.35Å; I273-T276 PolarHBondContact O-N 3.42Å
277D76.1Confident82Confident58 Ų5886 Ų8631%0.3141%0.405SS..  trans-152.674.9-171.9-163.3-9.3000113.3I273 A279 K280I273-D277 CarbonylContact O-C 3.32Å; I273-D277 WeakPolarHBondContact O-CA 3.38Å; I273-D277 PolarHBondContact O-N 3.09Å; D277-A279 PolarHBondContact O-N 3.31Å; D277-A279 VanDerWaalsContact O-N 3.17Å; D277-A279 WeakPolarHBondContact OD1-CB 3.49Å; D277-A279 PolarHBondContact OD1-N 3.01Å; D277-K280 HydrophobicContact CB-CD 4.46Å; D277-K280 PolarHBondContact O-N 2.91Å; D277-K280 WeakPolarHBondContact OD2-CD 3.43Å; D277-K280 WeakPolarHBondContact OD2-CE 3.36Å; D277-K280 WeakPolarHBondContact OD2-CG 3.24Å
278A80.4Confident81Confident31 Ų3182.1 Ų82.126%0.25639%0.387SS..Hα-helixtrans-65-13.9175.400000113.9R282A278-R282 WeakPolarHBondContact O-CG 3.35Å; A278-R282 PolarHBondContact O-N 2.65Å
279A81.4Confident80Confident62 Ų6280.5 Ų80.551%0.51238%0.381SS..Hα-helixtrans-71.4-40.1-179.200000111.4D277 L281 R282 E283D277-A279 PolarHBondContact O-N 3.31Å; D277-A279 VanDerWaalsContact O-N 3.17Å; D277-A279 WeakPolarHBondContact OD1-CB 3.49Å; D277-A279 PolarHBondContact OD1-N 3.01Å; A279-L281 VanDerWaalsContact C-N 3.32Å; A279-L281 PolarHBondContact O-N 2.84Å; A279-R282 PolarHBondContact O-N 3.49Å; A279-R282 VanDerWaalsContact O-N 3.17Å; A279-E283 WeakPolarHBondContact O-CB 3.34Å; A279-E283 PolarHBondContact O-N 3.36Å
280K77.6Confident79.1Confident76 Ų7684.9 Ų84.933%0.3340%0.399SS..Hα-helixtrans-57.2-42.3175.8-73.2-179-178.5-173.70112.9D277 E283 E284 E387D277-K280 HydrophobicContact CB-CD 4.46Å; D277-K280 PolarHBondContact O-N 2.91Å; D277-K280 WeakPolarHBondContact OD2-CD 3.43Å; D277-K280 WeakPolarHBondContact OD2-CE 3.36Å; D277-K280 WeakPolarHBondContact OD2-CG 3.24Å; K280-E283 PolarHBondContact O-N 3.33Å; K280-E284 PolarHBondContact O-N 2.85Å; K280-E387 IonicContact NZ-OE1 3.19Å; K280-E387 PolarHBondContact NZ-OE1 2.86Å; K280-E387 IonicContact NZ-OE2 3.34Å
281L76.8Confident77.8Confident34 Ų3485.8 Ų85.818%0.17841%0.409CS..Hα-helixtrans-68.7-35.2178.3-67.4176.5000112.6I273 K274 A279 Y285 T385I273-L281 HydrophobicContact CG2-CD1 3.77Å; I273-L281 HydrophobicContact CG2-CD2 4.2Å; I273-L281 HydrophobicContact CG2-CG 4.07Å; K274-L281 HydrophobicContact CB-CD1 4.42Å; A279-L281 VanDerWaalsContact C-N 3.32Å; A279-L281 PolarHBondContact O-N 2.84Å; L281-Y285 PolarHBondContact O-N 2.46Å; L281-T385 HydrophobicContact CD2-CG2 4.12Å
282R79.8Confident76.3Confident183 Ų18382.7 Ų82.769%0.69140%0.396SS*.Hα-helixtrans-69.6-38.4175.5-69.3178.9-145.91775111.8A278 A279 Y285 R286A278-R282 WeakPolarHBondContact O-CG 3.35Å; A278-R282 PolarHBondContact O-N 2.65Å; A279-R282 PolarHBondContact O-N 3.49Å; A279-R282 VanDerWaalsContact O-N 3.17Å; R282-Y285 WeakPolarHBondContact O-CB 3.24Å; R282-Y285 PolarHBondContact O-N 3.05Å; R282-R286 PolarHBondContact O-N 2.99Å
283E79Confident74.4Confident72 Ų7285 Ų8534%0.33641%0.406SS..Hα-helixtrans-64.7-42.8175.2178.358.1-162.300111.2A279 K280 Y285 R286 R287A279-E283 WeakPolarHBondContact O-CB 3.34Å; A279-E283 PolarHBondContact O-N 3.36Å; K280-E283 PolarHBondContact O-N 3.33Å; E283-Y285 VanDerWaalsContact C-N 3.34Å; E283-Y285 PolarHBondContact O-N 3.16Å; E283-R286 PolarHBondContact O-N 3.37Å; E283-R287 WeakPolarHBondContact O-CG 3.46Å; E283-R287 PolarHBondContact O-N 3.48Å; E283-R287 IonicContact OE1-CZ 3.35Å; E283-R287 IonicContact OE1-NE 3.61Å; E283-R287 PolarHBondContact OE1-NE 2.89Å; E283-R287 IonicContact OE1-NH2 2.73Å; E283-R287 PolarHBondContact OE1-NH2 2.77Å; E283-R287 VanDerWaalsContact OE1-NH2 3.15Å
284E74Confident72.4Confident9 Ų991.4 Ų91.44%0.04244%0.435CS..Hα-helixtrans-58.4-46.7171.6-168.9-165-160.900111.4K280 R286 R287 L288 R378 S381 T385K280-E284 PolarHBondContact O-N 2.85Å; E284-R286 VanDerWaalsContact C-N 3.29Å; E284-R286 PolarHBondContact O-N 2.84Å; E284-R287 PolarHBondContact O-N 3.48Å; E284-L288 HydrophobicContact CG-CD1 4.22Å; E284-L288 HydrophobicContact CG-CG 4.49Å; E284-L288 WeakPolarHBondContact O-CG 3.27Å; E284-L288 PolarHBondContact O-N 3.24Å; E284-R378 IonicContact OE1-CZ 3.01Å; E284-R378 IonicContact OE1-NH1 3.66Å; E284-R378 PolarHBondContact OE1-NH1 3.15Å; E284-R378 IonicContact OE1-NH2 2.77Å; E284-R378 IonicContact OE2-CZ 3.15Å; E284-R378 IonicContact OE2-NH1 3.3Å; E284-R378 IonicContact OE2-NH2 2.68Å; E284-R378 PolarHBondContact OE2-NH2 3.39Å; E284-R378 VanDerWaalsContact OE2-NH2 3.1Å; E284-S381 PolarHBondContact OE1-OG 3.34Å; E284-T385 HydrophobicContact CB-CG2 4.32Å; E284-T385 PolarHBondContact OE1-OG1 2.58Å
285Y76.1Confident70.6Confident108 Ų10888.7 Ų88.742%0.42443%0.432SS..Hα-helixtrans-57.4-43.1177.5-179.5-89.4000111.8L281 R282 E283 L288 V289 R324L281-Y285 PolarHBondContact O-N 2.46Å; R282-Y285 WeakPolarHBondContact O-CB 3.24Å; R282-Y285 PolarHBondContact O-N 3.05Å; E283-Y285 VanDerWaalsContact C-N 3.34Å; E283-Y285 PolarHBondContact O-N 3.16Å; Y285-L288 PolarHBondContact O-N 3.22Å; Y285-V289 HydrophobicContact CD1-CG2 4.17Å; Y285-V289 HydrophobicContact CE1-CG2 3.78Å; Y285-V289 VanDerWaalsContact O-CG2 3.29Å; Y285-V289 WeakPolarHBondContact O-CG2 3.24Å; Y285-V289 PolarHBondContact O-N 3.39Å; Y285-V289 VanDerWaalsContact O-N 3.17Å; Y285-R324 HydrophobicContact CD2-CB 3.9Å; Y285-R324 HydrophobicContact CE2-CB 3.71Å
286R76.3Confident68.7Low148 Ų14885.1 Ų85.156%0.55842%0.418SS*.Hα-helixtrans-61.8-47.3177.1-174.1-179.9-69.4171.7-3.5111.4R282 E283 E284 L288 V289 E290R282-R286 PolarHBondContact O-N 2.99Å; E283-R286 PolarHBondContact O-N 3.37Å; E284-R286 VanDerWaalsContact C-N 3.29Å; E284-R286 PolarHBondContact O-N 2.84Å; R286-L288 VanDerWaalsContact C-N 3.3Å; R286-L288 PolarHBondContact O-N 3.13Å; R286-V289 PolarHBondContact O-N 3.32Å; R286-E290 WeakPolarHBondContact CD-OE1 3.31Å; R286-E290 HydrophobicContact CG-CG 4.39Å; R286-E290 WeakPolarHBondContact CG-OE1 3.09Å; R286-E290 PolarHBondContact O-N 3.41Å
287R73.8Confident66.6Low156 Ų15684.9 Ų84.959%0.58942%0.416SS*.Hα-helixtrans-58.7-38.8176.3-68.5174.9-169.2-177.61.1112.9E283 E284 V289 G291E283-R287 WeakPolarHBondContact O-CG 3.46Å; E283-R287 PolarHBondContact O-N 3.48Å; E283-R287 IonicContact OE1-CZ 3.35Å; E283-R287 IonicContact OE1-NE 3.61Å; E283-R287 PolarHBondContact OE1-NE 2.89Å; E283-R287 IonicContact OE1-NH2 2.73Å; E283-R287 PolarHBondContact OE1-NH2 2.77Å; E283-R287 VanDerWaalsContact OE1-NH2 3.15Å; E284-R287 PolarHBondContact O-N 3.48Å; R287-V289 VanDerWaalsContact C-N 3.28Å; R287-V289 PolarHBondContact O-N 3.04Å; R287-G291 PolarHBondContact O-N 3.26Å
288L70.6Confident65.1Low11 Ų1184.4 Ų84.46%0.05842%0.42CS..Hα-helixtrans-70-23.8177.1-67.9173.9000113.1E284 Y285 R286 V319E284-L288 HydrophobicContact CG-CD1 4.22Å; E284-L288 HydrophobicContact CG-CG 4.49Å; E284-L288 WeakPolarHBondContact O-CG 3.27Å; E284-L288 PolarHBondContact O-N 3.24Å; Y285-L288 PolarHBondContact O-N 3.22Å; R286-L288 VanDerWaalsContact C-N 3.3Å; R286-L288 PolarHBondContact O-N 3.13Å; L288-V319 HydrophobicContact CD2-CG2 4.19Å
289V70.4Confident63.6Low66 Ų6686.1 Ų86.140%0.442%0.42SS..Hα-helixtrans-87.2-40.9179.2171.50000112.1Y285 R286 R287 G291Y285-V289 HydrophobicContact CD1-CG2 4.17Å; Y285-V289 HydrophobicContact CE1-CG2 3.78Å; Y285-V289 VanDerWaalsContact O-CG2 3.29Å; Y285-V289 WeakPolarHBondContact O-CG2 3.24Å; Y285-V289 PolarHBondContact O-N 3.39Å; Y285-V289 VanDerWaalsContact O-N 3.17Å; R286-V289 PolarHBondContact O-N 3.32Å; R287-V289 VanDerWaalsContact C-N 3.28Å; R287-V289 PolarHBondContact O-N 3.04Å; V289-G291 PolarHBondContact O-N 3.21Å
290E66.4Low61.8Low134 Ų13490.2 Ų90.263%0.62643%0.429SS*.Hα-helixtrans-70.1-12.6178.7-71.8168.5-179.800112.7R286R286-E290 WeakPolarHBondContact CD-OE1 3.31Å; R286-E290 HydrophobicContact CG-CG 4.39Å; R286-E290 WeakPolarHBondContact CG-OE1 3.09Å; R286-E290 PolarHBondContact O-N 3.41Å
291G61.3Low60.1Low24 Ų2489.1 Ų89.125%0.24743%0.428CS..  trans95.3151.8175.200000112.1R287 V289 K293R287-G291 PolarHBondContact O-N 3.26Å; V289-G291 PolarHBondContact O-N 3.21Å; G291-K293 PolarHBondContact O-N 3.03Å
292L56.3Low58.8Low43 Ų4388.9 Ų88.923%0.22543%0.427CS..THydrogen-bonded Turntrans-687.2-169.9-76.9125.4000115.8E294 A295 V319L292-E294 PolarHBondContact O-N 3.2Å; L292-A295 PolarHBondContact O-N 2.99Å; L292-V319 HydrophobicContact CD1-CG2 3.9Å
293K47.4Very low57.4Low187 Ų18782.5 Ų82.581%0.81341%0.407SS*.THydrogen-bonded Turntrans-63.3-38.3-173.7-90.1-176.6175.6178.40113.3G291G291-K293 PolarHBondContact O-N 3.03Å
294E43.6Very low55.9Low155 Ų15582 Ų8272%0.72440%0.402SS*.THydrogen-bonded Turntrans-84-26.4-178.5-69.7-174.9163.700113.5L292 N296 V297L292-E294 PolarHBondContact O-N 3.2Å; E294-N296 PolarHBondContact O-N 2.94Å; E294-V297 PolarHBondContact O-N 3.1Å; E294-V297 VanDerWaalsContact O-N 3.14Å
295A46.1Very low54.7Low46 Ų4685.4 Ų85.438%0.3842%0.42SS..THydrogen-bonded Turntrans-64.9-23.3176.600000112.8L292 V297 R299L292-A295 PolarHBondContact O-N 2.99Å; A295-V297 VanDerWaalsContact C-N 3.34Å; A295-R299 WeakPolarHBondContact O-CG 3.23Å; A295-R299 PolarHBondContact O-N 3.01Å
296N45.5Very low53.4Low70 Ų7081 Ų8137%0.37441%0.406SS..THydrogen-bonded Turntrans-69.3-25.2174.8-88.4-28.2000114.2E294 R299E294-N296 PolarHBondContact O-N 2.94Å; N296-R299 WeakPolarHBondContact O-CB 3.39Å; N296-R299 WeakPolarHBondContact OD1-CD 3.47Å; N296-R299 VanDerWaalsContact OD1-CZ 3.28Å; N296-R299 PolarHBondContact OD1-NE 3.12Å; N296-R299 PolarHBondContact OD1-NH1 3.05Å
297V40.4Very low52.2Low110 Ų11074.3 Ų74.367%0.66738%0.381SS*.THydrogen-bonded Turntrans-83.3-38.5178.7-178.20000110E294 A295 R299 E300E294-V297 PolarHBondContact O-N 3.1Å; E294-V297 VanDerWaalsContact O-N 3.14Å; A295-V297 VanDerWaalsContact C-N 3.34Å; V297-R299 PolarHBondContact O-N 3.38Å; V297-E300 PolarHBondContact O-N 2.78Å
298A43.5Very low51.2Low48 Ų4867 Ų6740%0.39735%0.354SS..THydrogen-bonded Turntrans-76.34.6171.200000113.9R384A298-R384 PolarHBondContact O-NH2 2.91Å
299R49.9Very low50.4Low66 Ų6667.1 Ų67.125%0.24936%0.355CS..THydrogen-bonded Turntrans-69.8-39.3169.5-89.3176.3-179179.4-12.7109.5A295 N296 V297 T301 D302 I303 E377A295-R299 WeakPolarHBondContact O-CG 3.23Å; A295-R299 PolarHBondContact O-N 3.01Å; N296-R299 WeakPolarHBondContact O-CB 3.39Å; N296-R299 WeakPolarHBondContact OD1-CD 3.47Å; N296-R299 VanDerWaalsContact OD1-CZ 3.28Å; N296-R299 PolarHBondContact OD1-NE 3.12Å; N296-R299 PolarHBondContact OD1-NH1 3.05Å; V297-R299 PolarHBondContact O-N 3.38Å; R299-T301 PolarHBondContact O-N 3.19Å; R299-D302 PolarHBondContact O-N 3.08Å; R299-D302 VanDerWaalsContact O-N 3.09Å; R299-I303 VanDerWaalsContact C-CG1 3.45Å; R299-I303 HydrophobicContact CB-CD1 3.72Å; R299-I303 HydrophobicContact CB-CG1 3.91Å; R299-I303 HydrophobicContact CG-CD1 4.49Å; R299-I303 HydrophobicContact CG-CG1 4.47Å; R299-I303 WeakPolarHBondContact O-CD1 3.41Å; R299-I303 WeakPolarHBondContact O-CG1 3.23Å; R299-E377 IonicContact NH2-OE1 3.19Å; R299-E377 IonicContact NH2-OE2 2.67Å; R299-E377 PolarHBondContact NH2-OE2 2.94Å; R299-E377 VanDerWaalsContact NH2-OE2 3.14Å
300E42.5Very low49.7Very low149 Ų14964.8 Ų64.870%0.69634%0.341SS*.THydrogen-bonded Turntrans-50.7-26.8-168.1-70.5-173.7167.900117.3V297V297-E300 PolarHBondContact O-N 2.78Å
301T43Very low49.2Very low52 Ų5261.1 Ų61.132%0.31933%0.328SS..THydrogen-bonded Turntrans-98.4-20.3-177.458.90000115.3S140 R299S140-T301 PolarHBondContact OG-OG1 3.21Å; R299-T301 PolarHBondContact O-N 3.19Å
302D48.8Very low48.8Very low30 Ų3065.7 Ų65.716%0.1635%0.347CS..  trans-140.532.7-159.7-116.630.4000114.1S140 R299 Y304S140-D302 WeakPolarHBondContact CB-OD1 3.45Å; S140-D302 WeakPolarHBondContact CB-OD2 3.31Å; S140-D302 VanDerWaalsContact N-CG 3.33Å; S140-D302 PolarHBondContact N-OD1 3.47Å; S140-D302 PolarHBondContact N-OD2 3.31Å; S140-D302 PolarHBondContact OG-OD1 3.31Å; S140-D302 PolarHBondContact OG-OD2 3.26Å; R299-D302 PolarHBondContact O-N 3.08Å; R299-D302 VanDerWaalsContact O-N 3.09Å; D302-Y304 PolarHBondContact O-N 2.87Å; D302-Y304 VanDerWaalsContact O-N 3.07Å
303I49.8Very low48.4Very low49 Ų4971.3 Ų71.325%0.25137%0.372SS..  trans-83.395.3-172.9-36.9179.2000111.4L220 R299L220-I303 HydrophobicContact CD2-CB 3.85Å; L220-I303 HydrophobicContact CD2-CD1 4.48Å; L220-I303 HydrophobicContact CD2-CG2 3.35Å; R299-I303 VanDerWaalsContact C-CG1 3.45Å; R299-I303 HydrophobicContact CB-CD1 3.72Å; R299-I303 HydrophobicContact CB-CG1 3.91Å; R299-I303 HydrophobicContact CG-CD1 4.49Å; R299-I303 HydrophobicContact CG-CG1 4.47Å; R299-I303 WeakPolarHBondContact O-CD1 3.41Å; R299-I303 WeakPolarHBondContact O-CG1 3.23Å
304Y47.5Very low48.7Very low60 Ų6062.6 Ų62.624%0.23534%0.335CS..  trans-65.7147.4149.9-103.6-102.3000110.9D131 H135 D302 A306 I391D131-Y304 PolarHBondContact O-OH 2.73Å; H135-Y304 HydrophobicContact CB-CE2 3.41Å; H135-Y304 VanDerWaalsContact CB-CE2 3.41Å; H135-Y304 WeakPolarHBondContact CB-OH 3.42Å; H135-Y304 AromaticContact CD2-CE2 3.74Å; H135-Y304 AromaticContact CE1-CD2 3.71Å; H135-Y304 AromaticContact CE1-CE2 3.58Å; H135-Y304 AromaticContact CG-CE2 3.13Å; H135-Y304 AromaticContact CG-CZ 3.61Å; H135-Y304 AromaticContact ND1-CD2 3.63Å; H135-Y304 AromaticContact ND1-CE2 3.08Å; H135-Y304 WeakPolarHBondContact ND1-CE2 3.48Å; H135-Y304 AromaticContact NE2-CE2 3.97Å; D302-Y304 PolarHBondContact O-N 2.87Å; D302-Y304 VanDerWaalsContact O-N 3.07Å; Y304-A306 PolarHBondContact O-N 3.45Å; Y304-I391 HydrophobicContact CD1-CD1 3.59Å; Y304-I391 HydrophobicContact CD1-CG2 4.18Å; Y304-I391 HydrophobicContact CD2-CD1 3.89Å; Y304-I391 HydrophobicContact CE1-CB 4.04Å; Y304-I391 HydrophobicContact CE1-CD1 3.32Å; Y304-I391 HydrophobicContact CE1-CG1 4.26Å; Y304-I391 HydrophobicContact CE1-CG2 3.79Å; Y304-I391 HydrophobicContact CE2-CD1 3.71Å; Y304-I391 HydrophobicContact CG-CD1 3.85Å
305L49.6Very low49.2Very low81 Ų8157.4 Ų57.442%0.42431%0.311SS..SBendtrans-9.4116.1179.2-99.383.8000114.3K216 Q380K216-L305 HydrophobicContact CB-CD2 3.92Å; K216-L305 HydrophobicContact CB-CG 4.31Å; K216-L305 HydrophobicContact CD-CD2 3.94Å; K216-L305 HydrophobicContact CG-CD2 4.31Å; L305-Q380 PolarHBondContact O-NE2 2.83Å
306A48.4Very low49.5Very low16 Ų1663.2 Ų63.213%0.13233%0.331CS..  trans-53.8144.3170.500000110K216 D219 L220 Y304K216-A306 PolarHBondContact O-N 3.05Å; D219-A306 HydrophobicContact CB-CB 3.61Å; L220-A306 HydrophobicContact CD2-CB 4.37Å; L220-A306 HydrophobicContact CG-CB 4.49Å; Y304-A306 PolarHBondContact O-N 3.45Å
307N51.3Low50.4Low8 Ų863 Ų634%0.04333%0.328CS..  trans-54.5127.8175.2175.510.5000109.4V309 L310 A376 E377N307-V309 VanDerWaalsContact C-N 3.32Å; N307-V309 PolarHBondContact O-N 2.63Å; N307-V309 VanDerWaalsContact O-N 3.12Å; N307-L310 WeakPolarHBondContact ND2-CD1 3.38Å; N307-L310 WeakPolarHBondContact ND2-CG 3.38Å; N307-A376 WeakPolarHBondContact OD1-CB 3.26Å; N307-E377 HydrophobicContact CB-CG 4.32Å; N307-E377 WeakPolarHBondContact CB-OE1 3.27Å; N307-E377 WeakPolarHBondContact ND2-CG 3.21Å; N307-E377 PolarHBondContact ND2-OE1 3.02Å
308P52.2Low51.3Low2 Ų260.2 Ų60.21%0.01332%0.316CS..THydrogen-bonded Turntrans-58.2-38.5-160.2-26.330.4000114.7P215 K216 N402P215-P308 WeakPolarHBondContact CB-O 3.06Å; P215-P308 WeakPolarHBondContact CG-O 3.16Å; K216-P308 HydrophobicContact CD-CB 4.25Å; K216-P308 HydrophobicContact CD-CG 4.09Å; K216-P308 HydrophobicContact CG-CB 3.61Å; K216-P308 HydrophobicContact CG-CG 3.71Å; P308-N402 WeakPolarHBondContact CD-OD1 3.3Å; P308-N402 HydrophobicContact CG-CB 3.97Å; P308-N402 VanDerWaalsContact CG-CG 3.48Å; P308-N402 WeakPolarHBondContact CG-OD1 3.15Å
309V54.9Low52.4Low14 Ų1458.1 Ų58.19%0.08530%0.298CS..THydrogen-bonded Turntrans-162.272.2-167.5-146.60000112.6P215 M247 N307 L406 Y410P215-V309 HydrophobicContact CG-CG2 3.97Å; M247-V309 HydrophobicContact CE-CG1 4.02Å; M247-V309 HydrophobicContact CE-CG2 4.05Å; M247-V309 HydrophobicContact SD-CG1 4.39Å; M247-V309 HydrophobicContact SD-CG2 3.51Å; M247-V309 VanDerWaalsContact SD-CG2 3.51Å; N307-V309 VanDerWaalsContact C-N 3.32Å; N307-V309 PolarHBondContact O-N 2.63Å; N307-V309 VanDerWaalsContact O-N 3.12Å; V309-L406 HydrophobicContact CB-CD2 4.01Å; V309-L406 HydrophobicContact CG2-CD2 3.24Å; V309-L406 HydrophobicContact CG2-CG 4.49Å; V309-Y410 HydrophobicContact CB-CE2 3.55Å; V309-Y410 HydrophobicContact CG1-CD2 4.49Å; V309-Y410 HydrophobicContact CG1-CE2 3.27Å; V309-Y410 WeakPolarHBondContact CG1-OH 3.43Å; V309-Y410 HydrophobicContact CG2-CE2 4.25Å
310L55.4Low53.3Low17 Ų1755.8 Ų55.89%0.08929%0.292CS..  trans-111.8124.9163.1-71.4-172.8000108.3N307 D312 V314 L315 R373 T405 T409N307-L310 WeakPolarHBondContact ND2-CD1 3.38Å; N307-L310 WeakPolarHBondContact ND2-CG 3.38Å; L310-D312 PolarHBondContact O-N 3.07Å; L310-V314 HydrophobicContact CB-CB 4.1Å; L310-V314 HydrophobicContact CB-CG1 4.49Å; L310-V314 HydrophobicContact CD1-CB 4.33Å; L310-V314 HydrophobicContact CD1-CG1 3.89Å; L310-V314 HydrophobicContact CD2-CB 4.25Å; L310-V314 HydrophobicContact CD2-CG1 3.87Å; L310-V314 HydrophobicContact CD2-CG2 4.46Å; L310-V314 HydrophobicContact CG-CB 4.45Å; L310-V314 HydrophobicContact CG-CG1 4.3Å; L310-L315 HydrophobicContact CB-CD2 4.33Å; L310-L315 HydrophobicContact CB-CG 4.34Å; L310-L315 HydrophobicContact CD1-CD2 4.08Å; L310-R373 HydrophobicContact CD2-CG 3.75Å; L310-T405 HydrophobicContact CD2-CG2 4.16Å; L310-T405 HydrophobicContact CG-CG2 4.46Å; L310-T409 HydrophobicContact CD2-CG2 4.47Å; L310-T409 WeakPolarHBondContact CD2-OG1 3.49Å
311P55.4Low54.4Low57 Ų5751 Ų5137%0.3728%0.282SS..  trans-48.9141.3162.3-23.630.4000109.6E313 V314P311-E313 PolarHBondContact O-N 3.12Å; P311-V314 HydrophobicContact CB-CG2 4.11Å; P311-V314 HydrophobicContact CG-CG2 4.14Å; P311-V314 WeakPolarHBondContact O-CB 3.49Å; P311-V314 WeakPolarHBondContact O-CG2 3.23Å; P311-V314 PolarHBondContact O-N 3.08Å
312D52.8Low55.8Low119 Ų11951.9 Ų51.964%0.63629%0.29SS*.THydrogen-bonded Turntrans-50.9-27.2-179.4-79.4-36.5000112.9L310 V314 L315L310-D312 PolarHBondContact O-N 3.07Å; D312-V314 VanDerWaalsContact C-N 3.3Å; D312-V314 PolarHBondContact O-N 3.01Å; D312-L315 PolarHBondContact O-N 2.74Å
313E48.6Very low57.2Low161 Ų16150.5 Ų50.575%0.75228%0.283SS*.THydrogen-bonded Turntrans-64.4-29176.5-61.318017700113.6P311P311-E313 PolarHBondContact O-N 3.12Å
314V53.5Low58.7Low5 Ų551.1 Ų51.13%0.0328%0.282CS..G310 helixtrans-80.5-30.9-179.4-172.50000112.1L310 P311 D312 Q316 E317 R373 F374L310-V314 HydrophobicContact CB-CB 4.1Å; L310-V314 HydrophobicContact CB-CG1 4.49Å; L310-V314 HydrophobicContact CD1-CB 4.33Å; L310-V314 HydrophobicContact CD1-CG1 3.89Å; L310-V314 HydrophobicContact CD2-CB 4.25Å; L310-V314 HydrophobicContact CD2-CG1 3.87Å; L310-V314 HydrophobicContact CD2-CG2 4.46Å; L310-V314 HydrophobicContact CG-CB 4.45Å; L310-V314 HydrophobicContact CG-CG1 4.3Å; P311-V314 HydrophobicContact CB-CG2 4.11Å; P311-V314 HydrophobicContact CG-CG2 4.14Å; P311-V314 WeakPolarHBondContact O-CB 3.49Å; P311-V314 WeakPolarHBondContact O-CG2 3.23Å; P311-V314 PolarHBondContact O-N 3.08Å; D312-V314 VanDerWaalsContact C-N 3.3Å; D312-V314 PolarHBondContact O-N 3.01Å; V314-Q316 PolarHBondContact O-N 2.86Å; V314-Q316 VanDerWaalsContact O-N 3.08Å; V314-E317 PolarHBondContact O-N 3.36Å; V314-E317 VanDerWaalsContact O-N 3.11Å; V314-R373 HydrophobicContact CG1-CG 4.35Å; V314-R373 VanDerWaalsContact CG1-NE 3.26Å; V314-F374 HydrophobicContact CG1-CE1 4.27Å; V314-F374 HydrophobicContact CG1-CZ 4.26Å
315L54.7Low60.4Low45 Ų4551 Ų5124%0.23629%0.287CS..G310 helixtrans-65-10.8179.4-67.4171.8000112.4L310 D312L310-L315 HydrophobicContact CB-CD2 4.33Å; L310-L315 HydrophobicContact CB-CG 4.34Å; L310-L315 HydrophobicContact CD1-CD2 4.08Å; D312-L315 PolarHBondContact O-N 2.74Å
316Q52.2Low62.1Low168 Ų16847.6 Ų47.679%0.78527%0.271SS*.G310 helixtrans-88.2-10.4177.7-57-172.28.900113.5V314V314-Q316 PolarHBondContact O-N 2.86Å; V314-Q316 VanDerWaalsContact O-N 3.08Å
317E64.3Low63.9Low67 Ų6751.7 Ų51.731%0.31329%0.288SS..SBendtrans-83.9141.2179.1-71.7-172.4-139.300112.3V314 K370 R373 F374V314-E317 PolarHBondContact O-N 3.36Å; V314-E317 VanDerWaalsContact O-N 3.11Å; E317-K370 WeakPolarHBondContact OE2-CE 3.14Å; E317-K370 IonicContact OE2-NZ 3.55Å; E317-K370 PolarHBondContact OE2-NZ 2.91Å; E317-R373 IonicContact OE1-NH1 2.77Å; E317-F374 HydrophobicContact CB-CE1 4.43Å; E317-F374 HydrophobicContact CB-CZ 3.83Å
318A58.6Low65.6Low51 Ų5157 Ų5742%0.42131%0.312SS..PPolyproline II helixtrans-69.3141.8174.200000111.8
319V67.6Low67.4Low3 Ų356.9 Ų56.92%0.01831%0.311CS..PPolyproline II helixtrans-60.9131.3178.5-177.70000110.2L288 L292 I323 R324L288-V319 HydrophobicContact CD2-CG2 4.19Å; L292-V319 HydrophobicContact CD1-CG2 3.9Å; V319-I323 HydrophobicContact CG1-CD1 3.64Å; V319-I323 HydrophobicContact CG1-CG1 3.62Å; V319-R324 PolarHBondContact O-NE 3.03Å; V319-R324 PolarHBondContact O-NH2 3.27Å
320P68.1Low69.1Low18 Ų1856.5 Ų56.512%0.11731%0.309CS..PPolyproline II helixtrans-54.3140.4179.8-28.635.1000113.3S322 I323 K370 P371 F374P320-S322 PolarHBondContact O-N 2.7Å; P320-S322 VanDerWaalsContact O-N 3.11Å; P320-I323 HydrophobicContact CB-CG1 4.39Å; P320-I323 WeakPolarHBondContact O-CG1 3.29Å; P320-I323 PolarHBondContact O-N 3.39Å; P320-K370 HydrophobicContact CG-CD 4.22Å; P320-K370 HydrophobicContact CG-CG 3.84Å; P320-P371 HydrophobicContact CB-CG 4.41Å; P320-F374 HydrophobicContact CG-CD2 3.77Å; P320-F374 HydrophobicContact CG-CE2 4.1Å
321G65.3Low70.7Confident47 Ų4757 Ų5749%0.48532%0.319SS..G310 helixtrans-54.6-31.4-179.200000114.3I323 R324G321-I323 VanDerWaalsContact C-N 3.27Å; G321-I323 PolarHBondContact O-N 3.35Å; G321-R324 PolarHBondContact O-N 3.06Å
322S73.5Confident72.4Confident71 Ų7155.4 Ų55.450%0.49731%0.306SS..G310 helixtrans-66-21.5-177.750.90000115P320P320-S322 PolarHBondContact O-N 2.7Å; P320-S322 VanDerWaalsContact O-N 3.11Å
323I77.8Confident74.3Confident1 Ų150.1 Ų50.11%0.00528%0.277CS..G310 helixtrans-116.68-177.159.4171.1000113.4V319 P320 G321 F329 F332 P371 F374 R378V319-I323 HydrophobicContact CG1-CD1 3.64Å; V319-I323 HydrophobicContact CG1-CG1 3.62Å; P320-I323 HydrophobicContact CB-CG1 4.39Å; P320-I323 WeakPolarHBondContact O-CG1 3.29Å; P320-I323 PolarHBondContact O-N 3.39Å; G321-I323 VanDerWaalsContact C-N 3.27Å; G321-I323 PolarHBondContact O-N 3.35Å; I323-F329 HydrophobicContact CB-CD2 4.13Å; I323-F329 HydrophobicContact CG2-CD2 4.22Å; I323-F332 HydrophobicContact CG2-CG 4.43Å; I323-P371 HydrophobicContact CG2-CB 4.1Å; I323-F374 HydrophobicContact CD1-CB 3.89Å; I323-R378 HydrophobicContact CD1-CB 4.37Å; I323-R378 VanDerWaalsContact O-CD 3.3Å; I323-R378 WeakPolarHBondContact O-CD 3.5Å; I323-R378 PolarHBondContact O-NE 3.49Å
324R80.6Confident76.4Confident62 Ų6246 Ų4623%0.23426%0.255CS..SBendtrans-67.1-47.6-177.6-68.8-176-173.7161.20.1112.2Y285 V319 G321 R378Y285-R324 HydrophobicContact CD2-CB 3.9Å; Y285-R324 HydrophobicContact CE2-CB 3.71Å; V319-R324 PolarHBondContact O-NE 3.03Å; V319-R324 PolarHBondContact O-NH2 3.27Å; G321-R324 PolarHBondContact O-N 3.06Å; R324-R378 PolarHBondContact O-NH2 3.23Å
325T84.4Confident78.2Confident57 Ų5753.6 Ų53.635%0.3528%0.283SS..SBendtrans-75.2131.2177.542.70000111.2E327 H328 F329T325-E327 VanDerWaalsContact C-N 3.33Å; T325-E327 PolarHBondContact O-N 2.89Å; T325-H328 PolarHBondContact O-N 3.43Å; T325-H328 VanDerWaalsContact OG1-CB 3.32Å; T325-H328 WeakPolarHBondContact OG1-CB 3.42Å; T325-H328 PolarHBondContact OG1-CD2 3.38Å; T325-H328 VanDerWaalsContact OG1-CG 3.28Å; T325-F329 PolarHBondContact O-N 3.4Å; T325-F329 VanDerWaalsContact O-N 3.07Å
326A84Confident80Confident10 Ų1051.6 Ų51.68%0.08327%0.272CS..Hα-helixtrans-58-40.4-176.800000113.4I270 H328 F329 V330 L382I270-A326 HydrophobicContact CD1-CB 4.08Å; I270-A326 HydrophobicContact CG1-CB 4.45Å; I270-A326 HydrophobicContact CG2-CB 4.28Å; A326-H328 PolarHBondContact O-N 2.94Å; A326-F329 PolarHBondContact O-N 3.34Å; A326-V330 WeakPolarHBondContact O-CG2 3.2Å; A326-V330 PolarHBondContact O-N 3.08Å; A326-L382 HydrophobicContact CB-CD1 3.71Å
327E86.5Confident82Confident103 Ų10343.6 Ų43.648%0.48124%0.235SC..Hα-helixtrans-62-44.2178.4-68176.4-176.200112.3I270 K274 T325 F329 V330 G331I270-E327 HydrophobicContact CG2-CG 4.4Å; K274-E327 IonicContact NZ-OE1 3.35Å; K274-E327 PolarHBondContact NZ-OE1 3.02Å; K274-E327 IonicContact NZ-OE2 2.73Å; T325-E327 VanDerWaalsContact C-N 3.33Å; T325-E327 PolarHBondContact O-N 2.89Å; E327-F329 VanDerWaalsContact C-N 3.32Å; E327-F329 PolarHBondContact O-N 3.49Å; E327-V330 PolarHBondContact O-N 2.89Å; E327-G331 PolarHBondContact O-N 2.94Å
328H87.8Confident83.3Confident119 Ų11944.4 Ų44.455%0.55124%0.239SC*.Hα-helixtrans-67.1-34.7176.7-68.3-96.5000111.7T325 A326 G331 F332T325-H328 PolarHBondContact O-N 3.43Å; T325-H328 VanDerWaalsContact OG1-CB 3.32Å; T325-H328 WeakPolarHBondContact OG1-CB 3.42Å; T325-H328 PolarHBondContact OG1-CD2 3.38Å; T325-H328 VanDerWaalsContact OG1-CG 3.28Å; A326-H328 PolarHBondContact O-N 2.94Å; H328-G331 PolarHBondContact O-N 3.22Å; H328-F332 VanDerWaalsContact O-CB 3.29Å; H328-F332 WeakPolarHBondContact O-CB 3.45Å; H328-F332 PolarHBondContact O-N 3.39Å
329F89.5Confident85Confident0 Ų042.5 Ų42.50%022%0.221CC..Hα-helixtrans-66.9-41.9175-179-112.2000112.5I323 T325 A326 E327 F332 L333 R378 L379 L382I323-F329 HydrophobicContact CB-CD2 4.13Å; I323-F329 HydrophobicContact CG2-CD2 4.22Å; T325-F329 PolarHBondContact O-N 3.4Å; T325-F329 VanDerWaalsContact O-N 3.07Å; A326-F329 PolarHBondContact O-N 3.34Å; E327-F329 VanDerWaalsContact C-N 3.32Å; E327-F329 PolarHBondContact O-N 3.49Å; F329-F332 HydrophobicContact CD2-CD1 4.27Å; F329-F332 HydrophobicContact CE2-CD1 4.31Å; F329-F332 WeakPolarHBondContact O-CB 3.47Å; F329-F332 PolarHBondContact O-N 2.8Å; F329-L333 HydrophobicContact CD1-CD1 4.08Å; F329-L333 HydrophobicContact CE1-CD1 3.53Å; F329-L333 HydrophobicContact CE1-CG 4.12Å; F329-L333 HydrophobicContact CE2-CD2 4.45Å; F329-L333 HydrophobicContact CE2-CG 4.27Å; F329-L333 HydrophobicContact CZ-CD1 3.8Å; F329-L333 HydrophobicContact CZ-CD2 4.17Å; F329-L333 HydrophobicContact CZ-CG 3.98Å; F329-L333 WeakPolarHBondContact O-CG 3.29Å; F329-L333 PolarHBondContact O-N 2.83Å; F329-R378 HydrophobicContact CB-CG 4.41Å; F329-R378 HydrophobicContact CD1-CG 3.97Å; F329-R378 HydrophobicContact CD2-CB 4.21Å; F329-R378 HydrophobicContact CD2-CG 3.54Å; F329-R378 HydrophobicContact CE1-CG 4.06Å; F329-R378 HydrophobicContact CE2-CB 3.82Å; F329-R378 HydrophobicContact CE2-CG 3.65Å; F329-R378 HydrophobicContact CG-CG 3.7Å; F329-R378 HydrophobicContact CZ-CB 3.99Å; F329-R378 HydrophobicContact CZ-CG 3.91Å; F329-L379 HydrophobicContact CE1-CB 4.1Å; F329-L379 HydrophobicContact CE1-CD1 4.18Å; F329-L379 HydrophobicContact CZ-CB 4.01Å; F329-L382 HydrophobicContact CD1-CD2 3.82Å; F329-L382 HydrophobicContact CE1-CD2 4.22Å
330V90.4Very high86.2Confident5 Ų542.4 Ų42.43%0.0322%0.22CC..Hα-helixtrans-64-41.8173.3171.50000111.1V263 Q267 I270 A326 E327 F332 L333 R334V263-V330 HydrophobicContact CG1-CG1 3.9Å; Q267-V330 HydrophobicContact CB-CG1 4.1Å; I270-V330 HydrophobicContact CD1-CG2 3.48Å; I270-V330 VanDerWaalsContact CD1-CG2 3.48Å; A326-V330 WeakPolarHBondContact O-CG2 3.2Å; A326-V330 PolarHBondContact O-N 3.08Å; E327-V330 PolarHBondContact O-N 2.89Å; V330-F332 VanDerWaalsContact C-N 3.31Å; V330-F332 PolarHBondContact O-N 2.67Å; V330-L333 PolarHBondContact O-N 3.26Å; V330-R334 WeakPolarHBondContact O-CB 3.46Å; V330-R334 PolarHBondContact O-N 2.85Å
331G90.2Very high87.3Confident29 Ų2943 Ų4330%0.29922%0.221SC..Hα-helixtrans-60.2-40.617300000112.7E327 H328 R334 R335E327-G331 PolarHBondContact O-N 2.94Å; H328-G331 PolarHBondContact O-N 3.22Å; G331-R334 PolarHBondContact O-N 2.85Å; G331-R335 WeakPolarHBondContact O-CG 3.39Å; G331-R335 PolarHBondContact O-N 2.81Å
332F91.2Very high88.6Confident23 Ų2343.5 Ų43.510%0.10122%0.221CC..Hα-helixtrans-61.8-49.2173.9169.5-92.2000112I323 H328 F329 V330 R334 R335 F336 I367 P371 L372I323-F332 HydrophobicContact CG2-CG 4.43Å; H328-F332 VanDerWaalsContact O-CB 3.29Å; H328-F332 WeakPolarHBondContact O-CB 3.45Å; H328-F332 PolarHBondContact O-N 3.39Å; F329-F332 HydrophobicContact CD2-CD1 4.27Å; F329-F332 HydrophobicContact CE2-CD1 4.31Å; F329-F332 WeakPolarHBondContact O-CB 3.47Å; F329-F332 PolarHBondContact O-N 2.8Å; V330-F332 VanDerWaalsContact C-N 3.31Å; V330-F332 PolarHBondContact O-N 2.67Å; F332-R334 VanDerWaalsContact C-N 3.31Å; F332-R334 PolarHBondContact O-N 3.37Å; F332-R335 PolarHBondContact O-N 2.85Å; F332-F336 PolarHBondContact O-N 3.27Å; F332-I367 HydrophobicContact CD2-CD1 4.08Å; F332-I367 HydrophobicContact CD2-CG1 4.13Å; F332-I367 HydrophobicContact CE2-CB 4.27Å; F332-I367 HydrophobicContact CE2-CD1 3.84Å; F332-I367 HydrophobicContact CE2-CG1 3.86Å; F332-I367 HydrophobicContact CE2-CG2 3.49Å; F332-I367 VanDerWaalsContact CE2-CG2 3.49Å; F332-I367 HydrophobicContact CZ-CG2 4.01Å; F332-P371 HydrophobicContact CE2-CB 4.07Å; F332-P371 HydrophobicContact CZ-CB 4.3Å; F332-L372 HydrophobicContact CE1-CD2 4.45Å; F332-L372 HydrophobicContact CZ-CD2 3.73Å; F332-L372 HydrophobicContact CZ-CG 4.11Å
333L91Very high89.4Confident7 Ų741.7 Ų41.74%0.03720%0.203CC..Hα-helixtrans-60.3-40.9177-75.1178.8000111.7V263 F329 V330 F336 L337 V397V263-L333 HydrophobicContact CG2-CB 4.43Å; F329-L333 HydrophobicContact CD1-CD1 4.08Å; F329-L333 HydrophobicContact CE1-CD1 3.53Å; F329-L333 HydrophobicContact CE1-CG 4.12Å; F329-L333 HydrophobicContact CE2-CD2 4.45Å; F329-L333 HydrophobicContact CE2-CG 4.27Å; F329-L333 HydrophobicContact CZ-CD1 3.8Å; F329-L333 HydrophobicContact CZ-CD2 4.17Å; F329-L333 HydrophobicContact CZ-CG 3.98Å; F329-L333 WeakPolarHBondContact O-CG 3.29Å; F329-L333 PolarHBondContact O-N 2.83Å; V330-L333 PolarHBondContact O-N 3.26Å; L333-F336 PolarHBondContact O-N 3.34Å; L333-L337 WeakPolarHBondContact O-CB 3.07Å; L333-L337 PolarHBondContact O-N 3.01Å; L333-V397 HydrophobicContact CD1-CG1 4.08Å
334R92.9Very high90Very high75 Ų7542.1 Ų42.128%0.28321%0.205SC..Hα-helixtrans-61.8-45.6176.5-170.2-177-66.4-90.5-3111.5Q260 V263 D264 V330 G331 F332 L337 E338Q260-R334 VanDerWaalsContact NE2-NH1 3.11Å; V263-R334 HydrophobicContact CG1-CB 4.42Å; D264-R334 IonicContact OD1-CZ 2.63Å; D264-R334 VanDerWaalsContact OD1-CZ 3.3Å; D264-R334 IonicContact OD1-NH1 3.01Å; D264-R334 PolarHBondContact OD1-NH1 2.94Å; D264-R334 IonicContact OD1-NH2 3.93Å; D264-R334 PolarHBondContact OD1-NH2 3.28Å; V330-R334 WeakPolarHBondContact O-CB 3.46Å; V330-R334 PolarHBondContact O-N 2.85Å; G331-R334 PolarHBondContact O-N 2.85Å; F332-R334 VanDerWaalsContact C-N 3.31Å; F332-R334 PolarHBondContact O-N 3.37Å; R334-L337 PolarHBondContact O-N 3.07Å; R334-E338 WeakPolarHBondContact O-CG 3.47Å; R334-E338 PolarHBondContact O-N 3.46Å
335R92.4Very high90.4Very high165 Ų16548.2 Ų48.262%0.62323%0.228SC*.Hα-helixtrans-61.3-45.5176.4-72.3177.4-172.8-174.22.4111.8G331 F332 L337 E338 Y339 V365 I367G331-R335 WeakPolarHBondContact O-CG 3.39Å; G331-R335 PolarHBondContact O-N 2.81Å; F332-R335 PolarHBondContact O-N 2.85Å; R335-L337 VanDerWaalsContact C-N 3.35Å; R335-E338 PolarHBondContact O-N 2.62Å; R335-Y339 PolarHBondContact O-N 3.04Å; R335-Y339 VanDerWaalsContact O-N 3.08Å; R335-V365 HydrophobicContact CB-CG1 3.83Å; R335-I367 HydrophobicContact CB-CD1 4.43Å
336F92.2Very high90.5Very high2 Ų247 Ų471%0.00922%0.221CC..Hα-helixtrans-64.5-40.1177.8-174.5-116.4000112F332 L333 Y339 L340 I361 I367 L372 I400 F403 A404F332-F336 PolarHBondContact O-N 3.27Å; L333-F336 PolarHBondContact O-N 3.34Å; F336-Y339 WeakPolarHBondContact O-CB 3.3Å; F336-Y339 PolarHBondContact O-N 3.2Å; F336-L340 HydrophobicContact CD1-CD1 4.13Å; F336-L340 HydrophobicContact CE1-CD1 3.72Å; F336-L340 HydrophobicContact CE1-CG 4.34Å; F336-L340 HydrophobicContact CZ-CD1 4.13Å; F336-L340 HydrophobicContact CZ-CD2 4.4Å; F336-L340 HydrophobicContact CZ-CG 4.36Å; F336-L340 WeakPolarHBondContact O-CG 3.16Å; F336-L340 PolarHBondContact O-N 2.99Å; F336-I361 HydrophobicContact CE2-CD1 3.93Å; F336-I367 HydrophobicContact CB-CD1 4.2Å; F336-L372 HydrophobicContact CD2-CD2 4Å; F336-L372 HydrophobicContact CE2-CD2 3.86Å; F336-L372 HydrophobicContact CG-CD2 4.5Å; F336-L372 HydrophobicContact CZ-CD2 4.23Å; F336-I400 HydrophobicContact CD1-CG2 3.89Å; F336-I400 HydrophobicContact CE1-CG2 3.79Å; F336-F403 HydrophobicContact CE1-CD1 4.23Å; F336-F403 HydrophobicContact CE1-CE1 4.49Å; F336-F403 HydrophobicContact CZ-CD1 4.02Å; F336-F403 AromaticContact CZ-CE1 3.9Å; F336-F403 HydrophobicContact CZ-CE1 3.9Å; F336-A404 HydrophobicContact CE1-CB 3.78Å; F336-A404 HydrophobicContact CZ-CB 3.97Å
337L93.2Very high90.6Very high1 Ų154.2 Ų54.21%0.00525%0.253CS..Hα-helixtrans-63.5-45176.9179.163000112.1L256 C259 Q260 L333 R334 R335 Y339 L340 K341 I400L256-L337 HydrophobicContact CB-CD1 4.09Å; L256-L337 HydrophobicContact CD2-CD1 3.7Å; L256-L337 HydrophobicContact CG-CD1 4.47Å; C259-L337 HydrophobicContact CB-CD1 4.02Å; C259-L337 HydrophobicContact CB-CD2 4.32Å; Q260-L337 HydrophobicContact CB-CD2 3.97Å; Q260-L337 VanDerWaalsContact OE1-CD2 3.24Å; L333-L337 WeakPolarHBondContact O-CB 3.07Å; L333-L337 PolarHBondContact O-N 3.01Å; R334-L337 PolarHBondContact O-N 3.07Å; R335-L337 VanDerWaalsContact C-N 3.35Å; L337-Y339 VanDerWaalsContact C-N 3.3Å; L337-Y339 PolarHBondContact O-N 2.95Å; L337-L340 PolarHBondContact O-N 3.3Å; L337-K341 WeakPolarHBondContact O-CG 3.41Å; L337-K341 PolarHBondContact O-N 3.44Å; L337-I400 HydrophobicContact CD1-CD1 4.15Å
338E92.1Very high90.6Very high83 Ų8355.4 Ų55.439%0.38826%0.258SS..Hα-helixtrans-64.5-35.9176.8-72.8-54134.200112.2R334 R335 K341 A342R334-E338 WeakPolarHBondContact O-CG 3.47Å; R334-E338 PolarHBondContact O-N 3.46Å; R335-E338 PolarHBondContact O-N 2.62Å; E338-K341 PolarHBondContact O-N 3.3Å; E338-K341 IonicContact OE1-NZ 3.51Å; E338-K341 PolarHBondContact OE1-NZ 2.68Å; E338-A342 WeakPolarHBondContact O-CB 3.43Å; E338-A342 PolarHBondContact O-N 3.36Å
339Y93.5Very high90.5Very high12 Ų1253.3 Ų53.35%0.04725%0.253CS..Hα-helixtrans-61.5-45.8171.1171-96.8000112.4R335 F336 L337 K341 A342 R343 F357 D360 I361 K364 V365R335-Y339 PolarHBondContact O-N 3.04Å; R335-Y339 VanDerWaalsContact O-N 3.08Å; F336-Y339 WeakPolarHBondContact O-CB 3.3Å; F336-Y339 PolarHBondContact O-N 3.2Å; L337-Y339 VanDerWaalsContact C-N 3.3Å; L337-Y339 PolarHBondContact O-N 2.95Å; Y339-K341 PolarHBondContact O-N 3.07Å; Y339-A342 PolarHBondContact O-N 2.93Å; Y339-R343 HydrophobicContact CD1-CG 4.41Å; Y339-R343 HydrophobicContact CD2-CG 4.42Å; Y339-R343 HydrophobicContact CE1-CG 3.9Å; Y339-R343 HydrophobicContact CE2-CG 3.92Å; Y339-R343 WeakPolarHBondContact O-CB 3.04Å; Y339-R343 WeakPolarHBondContact O-CG 3.22Å; Y339-R343 PolarHBondContact O-N 2.83Å; Y339-R343 PolarHBondContact OH-NE 2.96Å; Y339-F357 HydrophobicContact CE1-CE1 4.3Å; Y339-F357 AromaticContact CE1-CE2 3.72Å; Y339-F357 HydrophobicContact CE1-CE2 3.72Å; Y339-F357 AromaticContact CE1-CZ 3.59Å; Y339-F357 HydrophobicContact CE1-CZ 3.59Å; Y339-D360 VanDerWaalsContact CE2-OD2 3.25Å; Y339-D360 WeakPolarHBondContact CE2-OD2 3.49Å; Y339-D360 PolarHBondContact OH-OD2 3.09Å; Y339-I361 HydrophobicContact CD1-CG1 3.89Å; Y339-I361 HydrophobicContact CE1-CD1 3.96Å; Y339-I361 HydrophobicContact CE1-CG1 3.28Å; Y339-I361 HydrophobicContact CE2-CG1 4.22Å; Y339-I361 VanDerWaalsContact CZ-CG1 3.48Å; Y339-K364 HydrophobicContact CE2-CD 4.32Å; Y339-V365 HydrophobicContact CD2-CG2 3.46Å; Y339-V365 VanDerWaalsContact CD2-CG2 3.46Å; Y339-V365 HydrophobicContact CE2-CG2 4.36Å; Y339-V365 HydrophobicContact CG-CG2 3.72Å
340L92.8Very high90.6Very high0 Ų054.3 Ų54.30%026%0.259CS..Hα-helixtrans-62.1-43.2175.5-69.1178.3000111.7L256 F336 L337 A342 R343 L344 F357 I400 F403 L433L256-L340 HydrophobicContact CD1-CB 4.45Å; L256-L340 HydrophobicContact CD2-CB 4.08Å; L256-L340 HydrophobicContact CD2-CD1 4.25Å; F336-L340 HydrophobicContact CD1-CD1 4.13Å; F336-L340 HydrophobicContact CE1-CD1 3.72Å; F336-L340 HydrophobicContact CE1-CG 4.34Å; F336-L340 HydrophobicContact CZ-CD1 4.13Å; F336-L340 HydrophobicContact CZ-CD2 4.4Å; F336-L340 HydrophobicContact CZ-CG 4.36Å; F336-L340 WeakPolarHBondContact O-CG 3.16Å; F336-L340 PolarHBondContact O-N 2.99Å; L337-L340 PolarHBondContact O-N 3.3Å; L340-A342 VanDerWaalsContact C-N 3.32Å; L340-A342 PolarHBondContact O-N 2.91Å; L340-R343 PolarHBondContact O-N 3.29Å; L340-L344 WeakPolarHBondContact O-CD1 3.44Å; L340-L344 PolarHBondContact O-N 3.05Å; L340-F357 HydrophobicContact CD2-CZ 3.91Å; L340-I400 HydrophobicContact CD1-CG2 4Å; L340-F403 HydrophobicContact CD1-CD1 4.47Å; L340-F403 HydrophobicContact CD1-CE1 4.39Å; L340-F403 HydrophobicContact CD2-CE1 3.85Å; L340-L433 HydrophobicContact CD2-CD1 4.42Å
341K92.6Very high90.6Very high31 Ų3158.5 Ų58.514%0.13528%0.279CS..Hα-helixtrans-60.2-42174.5-71.7178.2-170.3163.40111.6L256 L337 E338 Y339 R343 L344 R345L256-K341 HydrophobicContact CB-CG 4.24Å; L256-K341 HydrophobicContact CD1-CG 3.93Å; L337-K341 WeakPolarHBondContact O-CG 3.41Å; L337-K341 PolarHBondContact O-N 3.44Å; E338-K341 PolarHBondContact O-N 3.3Å; E338-K341 IonicContact OE1-NZ 3.51Å; E338-K341 PolarHBondContact OE1-NZ 2.68Å; Y339-K341 PolarHBondContact O-N 3.07Å; K341-R343 VanDerWaalsContact C-N 3.32Å; K341-R343 PolarHBondContact O-N 3.39Å; K341-L344 PolarHBondContact O-N 3.22Å; K341-R345 WeakPolarHBondContact O-CG 3.25Å; K341-R345 PolarHBondContact O-N 3.45Å
342A91.9Very high90.6Very high58 Ų5858 Ų5848%0.47927%0.269SS..Hα-helixtrans-63.4-39.2176.400000111.7E338 Y339 L340 R345E338-A342 WeakPolarHBondContact O-CB 3.43Å; E338-A342 PolarHBondContact O-N 3.36Å; Y339-A342 PolarHBondContact O-N 2.93Å; L340-A342 VanDerWaalsContact C-N 3.32Å; L340-A342 PolarHBondContact O-N 2.91Å; A342-R345 PolarHBondContact O-N 2.64Å
343R90Very high90.6Very high33 Ų3359.5 Ų59.513%0.12528%0.282CS..Hα-helixtrans-68.5-37.8176.8-74.8-77.7166.4-161.30.1113.1Y339 L340 K341 R345 V346 E352 D360 I418Y339-R343 HydrophobicContact CD1-CG 4.41Å; Y339-R343 HydrophobicContact CD2-CG 4.42Å; Y339-R343 HydrophobicContact CE1-CG 3.9Å; Y339-R343 HydrophobicContact CE2-CG 3.92Å; Y339-R343 WeakPolarHBondContact O-CB 3.04Å; Y339-R343 WeakPolarHBondContact O-CG 3.22Å; Y339-R343 PolarHBondContact O-N 2.83Å; Y339-R343 PolarHBondContact OH-NE 2.96Å; L340-R343 PolarHBondContact O-N 3.29Å; K341-R343 VanDerWaalsContact C-N 3.32Å; K341-R343 PolarHBondContact O-N 3.39Å; R343-R345 PolarHBondContact O-N 3.2Å; R343-V346 WeakPolarHBondContact O-CG2 3.48Å; R343-V346 PolarHBondContact O-N 2.92Å; R343-E352 IonicContact NH1-OE1 3.1Å; R343-D360 IonicContact CZ-OD1 3.86Å; R343-D360 IonicContact CZ-OD2 3.55Å; R343-D360 IonicContact NE-OD2 3.56Å; R343-D360 PolarHBondContact NE-OD2 3.15Å; R343-D360 VanDerWaalsContact NE-OD2 3.15Å; R343-D360 IonicContact NH2-OD1 2.65Å; R343-D360 PolarHBondContact NH2-OD1 3.43Å; R343-D360 IonicContact NH2-OD2 3.92Å; R343-D360 PolarHBondContact NH2-OD2 2.95Å; R343-I418 HydrophobicContact CB-CD1 4.4Å
344L89.8Confident90.5Very high9 Ų959.2 Ų59.25%0.04728%0.28CS..Hα-helixtrans-72.8-9.9176-90.580.7000114L256 L340 K341 V346 P431 L433L256-L344 HydrophobicContact CD1-CB 4.5Å; L256-L344 HydrophobicContact CD1-CD1 4.05Å; L256-L344 HydrophobicContact CD1-CD2 3.75Å; L256-L344 HydrophobicContact CD1-CG 4.31Å; L340-L344 WeakPolarHBondContact O-CD1 3.44Å; L340-L344 PolarHBondContact O-N 3.05Å; K341-L344 PolarHBondContact O-N 3.22Å; L344-V346 VanDerWaalsContact C-N 3.28Å; L344-P431 HydrophobicContact CB-CB 4.33Å; L344-P431 HydrophobicContact CD2-CB 4.31Å; L344-P431 HydrophobicContact CD2-CG 4.5Å; L344-P431 HydrophobicContact CG-CB 4.44Å; L344-P431 WeakPolarHBondContact O-CB 3.17Å; L344-L433 HydrophobicContact CD1-CB 3.95Å; L344-L433 HydrophobicContact CD1-CD1 3.94Å; L344-L433 HydrophobicContact CG-CB 4.49Å
345R89.3Confident90.4Very high190 Ų19058.5 Ų58.572%0.71729%0.285SS*.THydrogen-bonded Turntrans-79.6-8.5175.8-74.7174.9-169.3-176.14.9113.7K341 A342 R343 Q347K341-R345 WeakPolarHBondContact O-CG 3.25Å; K341-R345 PolarHBondContact O-N 3.45Å; A342-R345 PolarHBondContact O-N 2.64Å; R343-R345 PolarHBondContact O-N 3.2Å; R345-Q347 PolarHBondContact O-N 3.03Å
346V88.2Confident90.3Very high33 Ų3355.7 Ų55.720%0.228%0.279CS..  trans-63.8133.3178.4179.90000109.4R343 L344 H348 V350 P420R343-V346 WeakPolarHBondContact O-CG2 3.48Å; R343-V346 PolarHBondContact O-N 2.92Å; L344-V346 VanDerWaalsContact C-N 3.28Å; V346-H348 WeakPolarHBondContact CG1-CE1 3.48Å; V346-H348 WeakPolarHBondContact CG1-ND1 3.4Å; V346-V350 HydrophobicContact CG1-CG2 3.81Å; V346-P420 WeakPolarHBondContact O-CB 3.31Å
347Q84.8Confident90.3Very high161 Ų16155.7 Ų55.775%0.75228%0.279SS*.SBendtrans-94.3-0.4-175.3-67-176.1-11.500114.3R345 P420 F421R345-Q347 PolarHBondContact O-N 3.03Å; Q347-P420 WeakPolarHBondContact O-CG 3.27Å; Q347-F421 WeakPolarHBondContact O-CE2 3.44Å
348H86.4Confident90.2Very high128 Ų12856.7 Ų56.759%0.59328%0.284SS*.SBendtrans-117.3157.7173.858.9-91.3000110.2V346 V350V346-H348 WeakPolarHBondContact CG1-CE1 3.48Å; V346-H348 WeakPolarHBondContact CG1-ND1 3.4Å; H348-V350 PolarHBondContact O-N 3.43Å
349V87.1Confident90.1Very high74 Ų7459.6 Ų59.645%0.44830%0.296SS..  trans-68.8131.4176.7179.70000109.3I418 E419 R631V349-I418 VanDerWaalsContact CA-O 3.31Å; V349-I418 WeakPolarHBondContact CA-O 3.31Å; V349-E419 HydrophobicContact CG1-CG 4.41Å; V349-R631 HydrophobicContact CG1-CG 4.35Å
350V90.8Very high90.1Very high21 Ų2160.4 Ų60.413%0.12730%0.301CS..EExtended strand (participates in β ladder)trans-122.9131.7178.4-175.30000109.3V346 H348 E352 I417 I418V346-V350 HydrophobicContact CG1-CG2 3.81Å; H348-V350 PolarHBondContact O-N 3.43Å; V350-E352 HydrophobicContact CG1-CG 3.84Å; V350-E352 WeakPolarHBondContact CG1-OE1 3.4Å; V350-I417 CarbonylContact O-C 3.36Å; V350-I417 WeakPolarHBondContact O-CA 3.33Å; V350-I418 HydrophobicContact CB-CB 4.36Å; V350-I418 PolarHBondContact N-O 3.41Å; V350-I418 VanDerWaalsContact N-O 3.08Å; V350-I418 PolarHBondContact O-N 3.36Å
351Q90.9Very high90Very high94 Ų9460.5 Ų60.544%0.43930%0.301SS..EExtended strand (participates in β ladder)trans-116.9122.7171.6-178.4179.6-12.800108.6I416 I417Q351-I416 WeakPolarHBondContact CA-O 3.36Å; Q351-I417 HydrophobicContact CG-CG1 4.29Å
352E90.6Very high90Very high19 Ų1964 Ų649%0.08932%0.317CS..EExtended strand (participates in β ladder)trans-133.4149.2-178.1-75.1174.5-171.300110.9R343 V350 T415 I416R343-E352 IonicContact NH1-OE1 3.1Å; V350-E352 HydrophobicContact CG1-CG 3.84Å; V350-E352 WeakPolarHBondContact CG1-OE1 3.4Å; E352-T415 PolarHBondContact O-OG1 3.01Å; E352-I416 PolarHBondContact N-O 2.7Å; E352-I416 PolarHBondContact O-N 3.18Å
353S90.4Very high90Very high54 Ų5466.1 Ų66.138%0.37832%0.32SS..EExtended strand (participates in β ladder)trans-81152168.266.70000110.8P355 Q356 F357S353-P355 VanDerWaalsContact C-CD 3.48Å; S353-P355 VanDerWaalsContact C-N 3.34Å; S353-Q356 PolarHBondContact O-N 3.44Å; S353-Q356 VanDerWaalsContact O-N 3.12Å; S353-Q356 WeakPolarHBondContact OG-CB 3.48Å; S353-F357 PolarHBondContact O-N 3.19Å; S353-F357 VanDerWaalsContact O-N 3.08Å
354A88.8Confident90Very high0 Ų070.8 Ų70.80%034%0.341CS..Hα-helixtrans-54.6-40.5178.100000113.9Q356 F357 L358A354-Q356 PolarHBondContact O-N 2.92Å; A354-F357 PolarHBondContact O-N 3.31Å; A354-L358 WeakPolarHBondContact O-CG 3.3Å; A354-L358 PolarHBondContact O-N 3.01Å
355P90.5Very high90Very high60 Ų6071.7 Ų71.739%0.3935%0.347SS..Hα-helixtrans-64.7-37.6175.9-23.635.4000114S353 F357 L358 K359S353-P355 VanDerWaalsContact C-CD 3.48Å; S353-P355 VanDerWaalsContact C-N 3.34Å; P355-F357 VanDerWaalsContact C-N 3.35Å; P355-L358 PolarHBondContact O-N 3.38Å; P355-K359 PolarHBondContact O-N 3.34Å
356Q91.3Very high90Very high107 Ų10767.4 Ų67.450%0.535%0.345SS..Hα-helixtrans-65.2-42.6177.2-178.3176.9-500110.8S353 A354 K359 D360S353-Q356 PolarHBondContact O-N 3.44Å; S353-Q356 VanDerWaalsContact O-N 3.12Å; S353-Q356 WeakPolarHBondContact OG-CB 3.48Å; A354-Q356 PolarHBondContact O-N 2.92Å; Q356-K359 PolarHBondContact O-N 2.98Å; Q356-D360 PolarHBondContact O-N 2.95Å
357F91.2Very high89.9Confident1 Ų166.3 Ų66.30%0.00434%0.338CS..Hα-helixtrans-64.1-40.4175.6-177.1-99.9000112.5Y339 L340 S353 A354 P355 D360 I361 F403 V407 I416Y339-F357 HydrophobicContact CE1-CE1 4.3Å; Y339-F357 AromaticContact CE1-CE2 3.72Å; Y339-F357 HydrophobicContact CE1-CE2 3.72Å; Y339-F357 AromaticContact CE1-CZ 3.59Å; Y339-F357 HydrophobicContact CE1-CZ 3.59Å; L340-F357 HydrophobicContact CD2-CZ 3.91Å; S353-F357 PolarHBondContact O-N 3.19Å; S353-F357 VanDerWaalsContact O-N 3.08Å; A354-F357 PolarHBondContact O-N 3.31Å; P355-F357 VanDerWaalsContact C-N 3.35Å; F357-D360 PolarHBondContact O-N 3.3Å; F357-I361 HydrophobicContact CD1-CD1 3.54Å; F357-I361 HydrophobicContact CD1-CG1 4.39Å; F357-I361 HydrophobicContact CE1-CD1 3.33Å; F357-I361 HydrophobicContact CE1-CG1 4.25Å; F357-I361 HydrophobicContact CG-CD1 4.44Å; F357-I361 HydrophobicContact CZ-CD1 4.07Å; F357-I361 WeakPolarHBondContact O-CG1 3.38Å; F357-I361 PolarHBondContact O-N 2.83Å; F357-F403 HydrophobicContact CE1-CE1 4.1Å; F357-F403 AromaticContact CE1-CZ 3.88Å; F357-F403 HydrophobicContact CE1-CZ 3.88Å; F357-F403 HydrophobicContact CZ-CE1 4.2Å; F357-F403 AromaticContact CZ-CZ 3.98Å; F357-F403 HydrophobicContact CZ-CZ 3.98Å; F357-V407 HydrophobicContact CD1-CG1 3.72Å; F357-V407 HydrophobicContact CE1-CG1 4.12Å; F357-I416 HydrophobicContact CB-CD1 3.51Å; F357-I416 HydrophobicContact CD1-CD1 3.57Å; F357-I416 HydrophobicContact CD2-CD1 3.87Å; F357-I416 HydrophobicContact CE1-CD1 4.14Å; F357-I416 HydrophobicContact CE2-CD1 4.42Å; F357-I416 HydrophobicContact CG-CD1 3.38Å
358L90.8Very high90Very high22 Ų2262.9 Ų62.912%0.11533%0.325CS..Hα-helixtrans-64.1-39.7174.8-74.9174.8000112.6A354 P355 D360 I361 F362 R369 L372 V407A354-L358 WeakPolarHBondContact O-CG 3.3Å; A354-L358 PolarHBondContact O-N 3.01Å; P355-L358 PolarHBondContact O-N 3.38Å; L358-D360 VanDerWaalsContact C-N 3.34Å; L358-I361 HydrophobicContact CD2-CD1 4.46Å; L358-I361 PolarHBondContact O-N 3.45Å; L358-F362 PolarHBondContact O-N 2.82Å; L358-F362 VanDerWaalsContact O-N 3.13Å; L358-R369 HydrophobicContact CD1-CG 4.25Å; L358-L372 HydrophobicContact CD2-CD1 3.81Å; L358-V407 HydrophobicContact CD2-CG1 3.83Å; L358-V407 HydrophobicContact CG-CG1 3.97Å
359K91.7Very high90Very high145 Ų14562.9 Ų62.963%0.6332%0.32SS*.Hα-helixtrans-62.4-44.3175.7-174.7179.8176.7-176.80110.9P355 Q356 I361 F362 D363P355-K359 PolarHBondContact O-N 3.34Å; Q356-K359 PolarHBondContact O-N 2.98Å; K359-I361 PolarHBondContact O-N 2.96Å; K359-F362 WeakPolarHBondContact O-CB 3.4Å; K359-F362 PolarHBondContact O-N 3.43Å; K359-F362 VanDerWaalsContact O-N 3.16Å; K359-D363 VanDerWaalsContact O-CG 3.32Å; K359-D363 PolarHBondContact O-N 3.33Å
360D92.1Very high90Very high29 Ų2964.2 Ų64.216%0.15532%0.32CS..Hα-helixtrans-66.6-36.1178.9-175.186.9000113.3Y339 R343 Q356 F357 L358 F362 D363 K364Y339-D360 VanDerWaalsContact CE2-OD2 3.25Å; Y339-D360 WeakPolarHBondContact CE2-OD2 3.49Å; Y339-D360 PolarHBondContact OH-OD2 3.09Å; R343-D360 IonicContact CZ-OD1 3.86Å; R343-D360 IonicContact CZ-OD2 3.55Å; R343-D360 IonicContact NE-OD2 3.56Å; R343-D360 PolarHBondContact NE-OD2 3.15Å; R343-D360 VanDerWaalsContact NE-OD2 3.15Å; R343-D360 IonicContact NH2-OD1 2.65Å; R343-D360 PolarHBondContact NH2-OD1 3.43Å; R343-D360 IonicContact NH2-OD2 3.92Å; R343-D360 PolarHBondContact NH2-OD2 2.95Å; Q356-D360 PolarHBondContact O-N 2.95Å; F357-D360 PolarHBondContact O-N 3.3Å; L358-D360 VanDerWaalsContact C-N 3.34Å; D360-F362 VanDerWaalsContact C-N 3.3Å; D360-F362 PolarHBondContact O-N 2.97Å; D360-D363 PolarHBondContact O-N 3.17Å; D360-K364 WeakPolarHBondContact O-CB 3.41Å; D360-K364 PolarHBondContact O-N 3.02Å; D360-K364 WeakPolarHBondContact OD1-CE 3.42Å; D360-K364 IonicContact OD1-NZ 2.75Å; D360-K364 IonicContact OD2-NZ 3.78Å
361I91.3Very high89.8Confident1 Ų163.7 Ų63.71%0.00532%0.316CS..Hα-helixtrans-57.9-45.2170.9-73.7164.5000110.8F336 Y339 F357 L358 K359 V365 C366 I367 L372F336-I361 HydrophobicContact CE2-CD1 3.93Å; Y339-I361 HydrophobicContact CD1-CG1 3.89Å; Y339-I361 HydrophobicContact CE1-CD1 3.96Å; Y339-I361 HydrophobicContact CE1-CG1 3.28Å; Y339-I361 HydrophobicContact CE2-CG1 4.22Å; Y339-I361 VanDerWaalsContact CZ-CG1 3.48Å; F357-I361 HydrophobicContact CD1-CD1 3.54Å; F357-I361 HydrophobicContact CD1-CG1 4.39Å; F357-I361 HydrophobicContact CE1-CD1 3.33Å; F357-I361 HydrophobicContact CE1-CG1 4.25Å; F357-I361 HydrophobicContact CG-CD1 4.44Å; F357-I361 HydrophobicContact CZ-CD1 4.07Å; F357-I361 WeakPolarHBondContact O-CG1 3.38Å; F357-I361 PolarHBondContact O-N 2.83Å; L358-I361 HydrophobicContact CD2-CD1 4.46Å; L358-I361 PolarHBondContact O-N 3.45Å; K359-I361 PolarHBondContact O-N 2.96Å; I361-V365 WeakPolarHBondContact O-CA 3.47Å; I361-V365 WeakPolarHBondContact O-CB 3.41Å; I361-V365 PolarHBondContact O-N 2.94Å; I361-C366 PolarHBondContact O-N 2.89Å; I361-I367 HydrophobicContact CG2-CB 3.66Å; I361-I367 HydrophobicContact CG2-CG2 3.99Å; I361-L372 HydrophobicContact CD1-CD1 4.43Å; I361-L372 HydrophobicContact CG2-CD1 4.41Å
362F91.6Very high89.5Confident105 Ų10559.3 Ų59.346%0.46130%0.296SS..Hα-helixtrans-63.8-46.3179.3-178-98.3000111.1L358 K359 D360 K364 C366 D368L358-F362 PolarHBondContact O-N 2.82Å; L358-F362 VanDerWaalsContact O-N 3.13Å; K359-F362 WeakPolarHBondContact O-CB 3.4Å; K359-F362 PolarHBondContact O-N 3.43Å; K359-F362 VanDerWaalsContact O-N 3.16Å; D360-F362 VanDerWaalsContact C-N 3.3Å; D360-F362 PolarHBondContact O-N 2.97Å; F362-K364 PolarHBondContact O-N 2.68Å; F362-C366 VanDerWaalsContact O-CA 3.22Å; F362-C366 WeakPolarHBondContact O-CA 3.41Å; F362-C366 PolarHBondContact O-N 3.16Å; F362-D368 VanDerWaalsContact CE2-OD1 3.29Å; F362-D368 WeakPolarHBondContact CE2-OD1 3.04Å
363D91.8Very high89.2Confident103 Ų10361 Ų6155%0.55130%0.302SS*.Hα-helixtrans-66.4-34.9-177.5-66.6-22.4000112.9K359 D360K359-D363 VanDerWaalsContact O-CG 3.32Å; K359-D363 PolarHBondContact O-N 3.33Å; D360-D363 PolarHBondContact O-N 3.17Å
364K91Very high88.9Confident131 Ų13158.7 Ų58.757%0.5729%0.285SS*.Hα-helixtrans-96.5-34-175.6-66.6-173.2179.3-177.70115.2Y339 D360 F362Y339-K364 HydrophobicContact CE2-CD 4.32Å; D360-K364 WeakPolarHBondContact O-CB 3.41Å; D360-K364 PolarHBondContact O-N 3.02Å; D360-K364 WeakPolarHBondContact OD1-CE 3.42Å; D360-K364 IonicContact OD1-NZ 2.75Å; D360-K364 IonicContact OD2-NZ 3.78Å; F362-K364 PolarHBondContact O-N 2.68Å
365V89.1Confident88.7Confident27 Ų2758.7 Ų58.716%0.16429%0.285CS..Hα-helixtrans-119.7-8.7-169.5-1620000111.9R335 Y339 I361 I367R335-V365 HydrophobicContact CB-CG1 3.83Å; Y339-V365 HydrophobicContact CD2-CG2 3.46Å; Y339-V365 VanDerWaalsContact CD2-CG2 3.46Å; Y339-V365 HydrophobicContact CE2-CG2 4.36Å; Y339-V365 HydrophobicContact CG-CG2 3.72Å; I361-V365 WeakPolarHBondContact O-CA 3.47Å; I361-V365 WeakPolarHBondContact O-CB 3.41Å; I361-V365 PolarHBondContact O-N 2.94Å; V365-I367 VanDerWaalsContact C-N 3.25Å; V365-I367 HydrophobicContact CB-CD1 4.21Å; V365-I367 HydrophobicContact CB-CG1 4.31Å; V365-I367 HydrophobicContact CG1-CD1 3.56Å; V365-I367 HydrophobicContact CG1-CG1 3.94Å; V365-I367 PolarHBondContact O-N 3.4Å
366C89.3Confident88.3Confident101 Ų10155.9 Ų55.968%0.68227%0.267SS*.  trans55.439.9-176.5-530000112.5I361 F362I361-C366 PolarHBondContact O-N 2.89Å; F362-C366 VanDerWaalsContact O-CA 3.22Å; F362-C366 WeakPolarHBondContact O-CA 3.41Å; F362-C366 PolarHBondContact O-N 3.16Å
367I87.4Confident87.6Confident9 Ų951.7 Ų51.75%0.04625%0.247CC..  trans-100.2121.8174.7-71.9171.1000109.5F332 R335 F336 I361 V365 L372F332-I367 HydrophobicContact CD2-CD1 4.08Å; F332-I367 HydrophobicContact CD2-CG1 4.13Å; F332-I367 HydrophobicContact CE2-CB 4.27Å; F332-I367 HydrophobicContact CE2-CD1 3.84Å; F332-I367 HydrophobicContact CE2-CG1 3.86Å; F332-I367 HydrophobicContact CE2-CG2 3.49Å; F332-I367 VanDerWaalsContact CE2-CG2 3.49Å; F332-I367 HydrophobicContact CZ-CG2 4.01Å; R335-I367 HydrophobicContact CB-CD1 4.43Å; F336-I367 HydrophobicContact CB-CD1 4.2Å; I361-I367 HydrophobicContact CG2-CB 3.66Å; I361-I367 HydrophobicContact CG2-CG2 3.99Å; V365-I367 VanDerWaalsContact C-N 3.25Å; V365-I367 HydrophobicContact CB-CD1 4.21Å; V365-I367 HydrophobicContact CB-CG1 4.31Å; V365-I367 HydrophobicContact CG1-CD1 3.56Å; V365-I367 HydrophobicContact CG1-CG1 3.94Å; V365-I367 PolarHBondContact O-N 3.4Å; I367-L372 HydrophobicContact CG2-CD1 3.72Å; I367-L372 HydrophobicContact CG2-CD2 4.04Å; I367-L372 HydrophobicContact CG2-CG 3.61Å
368D87Confident87.3Confident90 Ų9051.8 Ų51.848%0.48125%0.248SC..  trans-71.8156.1174.6-69.3-41.9000112.8F362 K370 P371F362-D368 VanDerWaalsContact CE2-OD1 3.29Å; F362-D368 WeakPolarHBondContact CE2-OD1 3.04Å; D368-K370 VanDerWaalsContact C-N 3.33Å; D368-K370 PolarHBondContact O-N 3.2Å; D368-P371 HydrophobicContact CB-CG 4.17Å; D368-P371 WeakPolarHBondContact O-CD 3.33Å
369R86.3Confident87Confident128 Ų12850.9 Ų50.948%0.48324%0.243SC..Hα-helixtrans-61-38.2174.6-177.2179.3176.8175.6-0.3112.9L358 L372 R373 S408L358-R369 HydrophobicContact CD1-CG 4.25Å; R369-L372 PolarHBondContact O-N 3.19Å; R369-R373 PolarHBondContact O-N 3.31Å; R369-S408 PolarHBondContact NE-O 3.06Å; R369-S408 PolarHBondContact NH2-O 3.42Å
370K85.6Confident86.4Confident102 Ų10246.4 Ų46.444%0.44322%0.224SC..Hα-helixtrans-67-47.8-172.5-169.8175.8-176.3154.90112.8E317 P320 D368 L372 R373 F374E317-K370 WeakPolarHBondContact OE2-CE 3.14Å; E317-K370 IonicContact OE2-NZ 3.55Å; E317-K370 PolarHBondContact OE2-NZ 2.91Å; P320-K370 HydrophobicContact CG-CD 4.22Å; P320-K370 HydrophobicContact CG-CG 3.84Å; D368-K370 VanDerWaalsContact C-N 3.33Å; D368-K370 PolarHBondContact O-N 3.2Å; K370-L372 VanDerWaalsContact C-N 3.33Å; K370-L372 PolarHBondContact O-N 3.38Å; K370-R373 VanDerWaalsContact O-CB 3.31Å; K370-R373 WeakPolarHBondContact O-CB 3.49Å; K370-R373 PolarHBondContact O-N 2.79Å; K370-F374 HydrophobicContact CG-CD2 4.43Å; K370-F374 HydrophobicContact CG-CE2 3.92Å; K370-F374 VanDerWaalsContact O-CD2 3.25Å; K370-F374 WeakPolarHBondContact O-CD2 3.02Å
371P86.5Confident85.8Confident9 Ų946.7 Ų46.76%0.05823%0.228CC..Hα-helixtrans-57.1-38.9172.4-27.936.3000114.7P320 I323 F332 D368 R373 F374 C375P320-P371 HydrophobicContact CB-CG 4.41Å; I323-P371 HydrophobicContact CG2-CB 4.1Å; F332-P371 HydrophobicContact CE2-CB 4.07Å; F332-P371 HydrophobicContact CZ-CB 4.3Å; D368-P371 HydrophobicContact CB-CG 4.17Å; D368-P371 WeakPolarHBondContact O-CD 3.33Å; P371-R373 PolarHBondContact O-N 3.22Å; P371-F374 PolarHBondContact O-N 3.17Å; P371-C375 PolarHBondContact O-N 3.47Å
372L85.9Confident85.4Confident2 Ų246.7 Ų46.71%0.0123%0.228CC..Hα-helixtrans-60.1-34.6177.3-74.1166.1000112.4F332 F336 L358 I361 I367 R369 K370 F374 C375 A404F332-L372 HydrophobicContact CE1-CD2 4.45Å; F332-L372 HydrophobicContact CZ-CD2 3.73Å; F332-L372 HydrophobicContact CZ-CG 4.11Å; F336-L372 HydrophobicContact CD2-CD2 4Å; F336-L372 HydrophobicContact CE2-CD2 3.86Å; F336-L372 HydrophobicContact CG-CD2 4.5Å; F336-L372 HydrophobicContact CZ-CD2 4.23Å; L358-L372 HydrophobicContact CD2-CD1 3.81Å; I361-L372 HydrophobicContact CD1-CD1 4.43Å; I361-L372 HydrophobicContact CG2-CD1 4.41Å; I367-L372 HydrophobicContact CG2-CD1 3.72Å; I367-L372 HydrophobicContact CG2-CD2 4.04Å; I367-L372 HydrophobicContact CG2-CG 3.61Å; R369-L372 PolarHBondContact O-N 3.19Å; K370-L372 VanDerWaalsContact C-N 3.33Å; K370-L372 PolarHBondContact O-N 3.38Å; L372-F374 VanDerWaalsContact C-N 3.33Å; L372-F374 PolarHBondContact O-N 3.42Å; L372-C375 VanDerWaalsContact O-CB 3.22Å; L372-C375 WeakPolarHBondContact O-CB 3.48Å; L372-C375 PolarHBondContact O-N 2.98Å; L372-A404 HydrophobicContact CD2-CB 3.85Å
373R84.2Confident84.9Confident56 Ų5642.7 Ų42.721%0.21121%0.212CC..Hα-helixtrans-64.7-32.4179.5-163.4-175.4-160.2-173.49.2114.2L310 V314 E317 R369 K370 P371 T405 S408L310-R373 HydrophobicContact CD2-CG 3.75Å; V314-R373 HydrophobicContact CG1-CG 4.35Å; V314-R373 VanDerWaalsContact CG1-NE 3.26Å; E317-R373 IonicContact OE1-NH1 2.77Å; R369-R373 PolarHBondContact O-N 3.31Å; K370-R373 VanDerWaalsContact O-CB 3.31Å; K370-R373 WeakPolarHBondContact O-CB 3.49Å; K370-R373 PolarHBondContact O-N 2.79Å; P371-R373 PolarHBondContact O-N 3.22Å; R373-T405 WeakPolarHBondContact O-CG2 2.85Å; R373-S408 WeakPolarHBondContact CA-OG 3.41Å; R373-S408 WeakPolarHBondContact CB-OG 3.44Å; R373-S408 PolarHBondContact N-OG 3.48Å
374F82.9Confident84.2Confident4 Ų443.1 Ų43.12%0.01821%0.206CC..THydrogen-bonded Turntrans-98.19.3-179.4-62.3-77.9000112.7V314 E317 P320 I323 K370 P371 L372 A376 R378V314-F374 HydrophobicContact CG1-CE1 4.27Å; V314-F374 HydrophobicContact CG1-CZ 4.26Å; E317-F374 HydrophobicContact CB-CE1 4.43Å; E317-F374 HydrophobicContact CB-CZ 3.83Å; P320-F374 HydrophobicContact CG-CD2 3.77Å; P320-F374 HydrophobicContact CG-CE2 4.1Å; I323-F374 HydrophobicContact CD1-CB 3.89Å; K370-F374 HydrophobicContact CG-CD2 4.43Å; K370-F374 HydrophobicContact CG-CE2 3.92Å; K370-F374 VanDerWaalsContact O-CD2 3.25Å; K370-F374 WeakPolarHBondContact O-CD2 3.02Å; P371-F374 PolarHBondContact O-N 3.17Å; L372-F374 VanDerWaalsContact C-N 3.33Å; L372-F374 PolarHBondContact O-N 3.42Å; F374-A376 PolarHBondContact O-N 3.46Å; F374-R378 VanDerWaalsContact O-CB 3.29Å; F374-R378 WeakPolarHBondContact O-CB 3.24Å; F374-R378 PolarHBondContact O-N 3.02Å
375C85.3Confident83.7Confident0 Ų038.1 Ų38.10%019%0.186CC..Hα-helixtrans-63.4-43.5-174.1-168.40000112.4P371 L372 L379 A404P371-C375 PolarHBondContact O-N 3.47Å; L372-C375 VanDerWaalsContact O-CB 3.22Å; L372-C375 WeakPolarHBondContact O-CB 3.48Å; L372-C375 PolarHBondContact O-N 2.98Å; C375-L379 WeakPolarHBondContact O-CB 3.21Å; C375-L379 PolarHBondContact O-N 2.68Å; C375-A404 HydrophobicContact CB-CB 4.12Å
376A81.9Confident83.2Confident1 Ų137.5 Ų37.51%0.00818%0.182CC..Hα-helixtrans-64.2-50178.500000112.1N307 F374 R378 L379 Q380 T405N307-A376 WeakPolarHBondContact OD1-CB 3.26Å; F374-A376 PolarHBondContact O-N 3.46Å; A376-R378 VanDerWaalsContact C-N 3.34Å; A376-R378 PolarHBondContact O-N 3Å; A376-L379 PolarHBondContact O-N 3.13Å; A376-Q380 VanDerWaalsContact O-CG 3.31Å; A376-Q380 WeakPolarHBondContact O-CG 3.34Å; A376-Q380 PolarHBondContact O-N 2.97Å; A376-T405 VanDerWaalsContact CB-OG1 3.3Å; A376-T405 WeakPolarHBondContact CB-OG1 3.39Å; A376-T405 PolarHBondContact N-OG1 3.1Å
377E77.6Confident82.6Confident20 Ų2035.5 Ų35.59%0.09316%0.162CC..Hα-helixtrans-59.5-43.8176.4-66.1-69.2165.400111.9R299 N307 L379 Q380 S381R299-E377 IonicContact NH2-OE1 3.19Å; R299-E377 IonicContact NH2-OE2 2.67Å; R299-E377 PolarHBondContact NH2-OE2 2.94Å; R299-E377 VanDerWaalsContact NH2-OE2 3.14Å; N307-E377 HydrophobicContact CB-CG 4.32Å; N307-E377 WeakPolarHBondContact CB-OE1 3.27Å; N307-E377 WeakPolarHBondContact ND2-CG 3.21Å; N307-E377 PolarHBondContact ND2-OE1 3.02Å; E377-L379 VanDerWaalsContact C-N 3.34Å; E377-L379 PolarHBondContact O-N 3.43Å; E377-Q380 PolarHBondContact O-N 3.38Å; E377-S381 PolarHBondContact O-N 3.49Å
378R83.6Confident82Confident3 Ų336.3 Ų36.31%0.01117%0.166CC..Hα-helixtrans-63.4-42.6-178.6-178.565.4-167.2111.9-17.2111.3E284 I323 R324 F329 F374 A376 L382E284-R378 IonicContact OE1-CZ 3.01Å; E284-R378 IonicContact OE1-NH1 3.66Å; E284-R378 PolarHBondContact OE1-NH1 3.15Å; E284-R378 IonicContact OE1-NH2 2.77Å; E284-R378 IonicContact OE2-CZ 3.15Å; E284-R378 IonicContact OE2-NH1 3.3Å; E284-R378 IonicContact OE2-NH2 2.68Å; E284-R378 PolarHBondContact OE2-NH2 3.39Å; E284-R378 VanDerWaalsContact OE2-NH2 3.1Å; I323-R378 HydrophobicContact CD1-CB 4.37Å; I323-R378 VanDerWaalsContact O-CD 3.3Å; I323-R378 WeakPolarHBondContact O-CD 3.5Å; I323-R378 PolarHBondContact O-NE 3.49Å; R324-R378 PolarHBondContact O-NH2 3.23Å; F329-R378 HydrophobicContact CB-CG 4.41Å; F329-R378 HydrophobicContact CD1-CG 3.97Å; F329-R378 HydrophobicContact CD2-CB 4.21Å; F329-R378 HydrophobicContact CD2-CG 3.54Å; F329-R378 HydrophobicContact CE1-CG 4.06Å; F329-R378 HydrophobicContact CE2-CB 3.82Å; F329-R378 HydrophobicContact CE2-CG 3.65Å; F329-R378 HydrophobicContact CG-CG 3.7Å; F329-R378 HydrophobicContact CZ-CB 3.99Å; F329-R378 HydrophobicContact CZ-CG 3.91Å; F374-R378 VanDerWaalsContact O-CB 3.29Å; F374-R378 WeakPolarHBondContact O-CB 3.24Å; F374-R378 PolarHBondContact O-N 3.02Å; A376-R378 VanDerWaalsContact C-N 3.34Å; A376-R378 PolarHBondContact O-N 3Å; R378-L382 WeakPolarHBondContact O-CB 3.1Å; R378-L382 PolarHBondContact O-N 2.82Å
379L85.4Confident80.7Confident3 Ų333.9 Ų33.92%0.01616%0.159CC..Hα-helixtrans-61.9-45.2174.9-18070.2000110.9L266 F329 C375 A376 E377 S381 L382 L383 V397 S401L266-L379 HydrophobicContact CD1-CD1 4.29Å; F329-L379 HydrophobicContact CE1-CB 4.1Å; F329-L379 HydrophobicContact CE1-CD1 4.18Å; F329-L379 HydrophobicContact CZ-CB 4.01Å; C375-L379 WeakPolarHBondContact O-CB 3.21Å; C375-L379 PolarHBondContact O-N 2.68Å; A376-L379 PolarHBondContact O-N 3.13Å; E377-L379 VanDerWaalsContact C-N 3.34Å; E377-L379 PolarHBondContact O-N 3.43Å; L379-S381 PolarHBondContact O-N 2.97Å; L379-L382 PolarHBondContact O-N 2.91Å; L379-L383 HydrophobicContact CD1-CD1 4.32Å; L379-L383 HydrophobicContact CD1-CG 4.19Å; L379-L383 HydrophobicContact CD2-CD1 4.4Å; L379-L383 HydrophobicContact CG-CD1 3.97Å; L379-L383 HydrophobicContact CG-CG 4.22Å; L379-L383 WeakPolarHBondContact O-CG 3.46Å; L379-L383 PolarHBondContact O-N 2.85Å; L379-V397 HydrophobicContact CD1-CG1 3.75Å; L379-V397 HydrophobicContact CD2-CB 4.44Å; L379-V397 HydrophobicContact CD2-CG1 3.81Å; L379-V397 HydrophobicContact CG-CG1 4.45Å; L379-S401 WeakPolarHBondContact CD2-OG 3.07Å
380Q78.3Confident79.9Confident50 Ų5031.4 Ų31.423%0.23416%0.156CC..Hα-helixtrans-60.4-46.3179.2-73.1178.1-5.500112.1L305 A376 E377 L382 L383 R384L305-Q380 PolarHBondContact O-NE2 2.83Å; A376-Q380 VanDerWaalsContact O-CG 3.31Å; A376-Q380 WeakPolarHBondContact O-CG 3.34Å; A376-Q380 PolarHBondContact O-N 2.97Å; E377-Q380 PolarHBondContact O-N 3.38Å; Q380-L382 VanDerWaalsContact C-N 3.32Å; Q380-L382 PolarHBondContact O-N 3.48Å; Q380-L383 PolarHBondContact O-N 2.83Å; Q380-R384 PolarHBondContact O-N 2.73Å; Q380-R384 VanDerWaalsContact O-N 3.14Å
381S79.8Confident79.2Confident36 Ų3628.1 Ų28.125%0.25214%0.142SC..Hα-helixtrans-57.7-46.3173.9-177.20000111.4E284 E377 L379 R384 T385E284-S381 PolarHBondContact OE1-OG 3.34Å; E377-S381 PolarHBondContact O-N 3.49Å; L379-S381 PolarHBondContact O-N 2.97Å; S381-R384 PolarHBondContact O-N 2.93Å; S381-T385 PolarHBondContact O-N 3.13Å; S381-T385 PolarHBondContact O-OG1 3.36Å
382L82.1Confident78.6Confident0 Ų029.5 Ų29.50%016%0.155CC..Hα-helixtrans-64.5-45.3-178.4-177.863.4000112.1I270 A326 F329 R378 L379 Q380 R384 T385 L386I270-L382 HydrophobicContact CD1-CD1 4.48Å; I270-L382 HydrophobicContact CD1-CD2 4.27Å; A326-L382 HydrophobicContact CB-CD1 3.71Å; F329-L382 HydrophobicContact CD1-CD2 3.82Å; F329-L382 HydrophobicContact CE1-CD2 4.22Å; R378-L382 WeakPolarHBondContact O-CB 3.1Å; R378-L382 PolarHBondContact O-N 2.82Å; L379-L382 PolarHBondContact O-N 2.91Å; Q380-L382 VanDerWaalsContact C-N 3.32Å; Q380-L382 PolarHBondContact O-N 3.48Å; L382-R384 VanDerWaalsContact C-N 3.27Å; L382-R384 PolarHBondContact O-N 2.83Å; L382-T385 PolarHBondContact O-N 3.19Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD1-CG 4.11Å; L382-L386 HydrophobicContact CD2-CD1 4.45Å; L382-L386 HydrophobicContact CG-CD1 3.8Å; L382-L386 HydrophobicContact CG-CG 4.33Å; L382-L386 WeakPolarHBondContact O-CB 3.46Å; L382-L386 VanDerWaalsContact O-CG 3.26Å; L382-L386 WeakPolarHBondContact O-CG 3.23Å; L382-L386 PolarHBondContact O-N 3.16Å
383L81.7Confident78.3Confident22 Ų2234.4 Ų34.412%0.11518%0.181CC..Hα-helixtrans-60.6-38.1178.2-70.6175.9000111.6L266 L379 Q380 L386 E387 I388 F394L266-L383 HydrophobicContact CD2-CD2 3.93Å; L379-L383 HydrophobicContact CD1-CD1 4.32Å; L379-L383 HydrophobicContact CD1-CG 4.19Å; L379-L383 HydrophobicContact CD2-CD1 4.4Å; L379-L383 HydrophobicContact CG-CD1 3.97Å; L379-L383 HydrophobicContact CG-CG 4.22Å; L379-L383 WeakPolarHBondContact O-CG 3.46Å; L379-L383 PolarHBondContact O-N 2.85Å; Q380-L383 PolarHBondContact O-N 2.83Å; L383-L386 PolarHBondContact O-N 3.47Å; L383-E387 PolarHBondContact O-N 2.97Å; L383-I388 HydrophobicContact CD2-CD1 3.75Å; L383-F394 HydrophobicContact CD2-CD1 4.34Å; L383-F394 HydrophobicContact CD2-CG 4.2Å
384R77.3Confident78.3Confident111 Ų11132.3 Ų32.342%0.41917%0.173SC..Hα-helixtrans-65.3-45.8174.8-172.8-178.1-175.6177.36.6111.8A298 Q380 S381 L382 L386 E387A298-R384 PolarHBondContact O-NH2 2.91Å; Q380-R384 PolarHBondContact O-N 2.73Å; Q380-R384 VanDerWaalsContact O-N 3.14Å; S381-R384 PolarHBondContact O-N 2.93Å; L382-R384 VanDerWaalsContact C-N 3.27Å; L382-R384 PolarHBondContact O-N 2.83Å; R384-L386 VanDerWaalsContact C-N 3.27Å; R384-L386 PolarHBondContact O-N 3.08Å; R384-E387 PolarHBondContact O-N 3.32Å
385T79.9Confident78.4Confident26 Ų2634.6 Ų34.616%0.1619%0.19CC..Hα-helixtrans-66.2-30.6178.9-64.10000112.3L281 E284 S381 L382 E387L281-T385 HydrophobicContact CD2-CG2 4.12Å; E284-T385 HydrophobicContact CB-CG2 4.32Å; E284-T385 PolarHBondContact OE1-OG1 2.58Å; S381-T385 PolarHBondContact O-N 3.13Å; S381-T385 PolarHBondContact O-OG1 3.36Å; L382-T385 PolarHBondContact O-N 3.19Å; T385-E387 VanDerWaalsContact C-N 3.29Å; T385-E387 PolarHBondContact O-N 3.05Å
386L78.8Confident78.7Confident15 Ų1534.9 Ų34.98%0.07919%0.192CC..THydrogen-bonded Turntrans-80.9-3.1177.7-67.5174.1000114.1L266 I270 I273 L382 L383 R384 I388L266-L386 HydrophobicContact CD2-CD1 3.76Å; I270-L386 HydrophobicContact CG1-CD1 3.99Å; I270-L386 HydrophobicContact CG1-CD2 3.89Å; I273-L386 HydrophobicContact CD1-CD2 4.2Å; I273-L386 HydrophobicContact CG2-CD2 4Å; L382-L386 HydrophobicContact CD1-CD1 3.96Å; L382-L386 HydrophobicContact CD1-CG 4.11Å; L382-L386 HydrophobicContact CD2-CD1 4.45Å; L382-L386 HydrophobicContact CG-CD1 3.8Å; L382-L386 HydrophobicContact CG-CG 4.33Å; L382-L386 WeakPolarHBondContact O-CB 3.46Å; L382-L386 VanDerWaalsContact O-CG 3.26Å; L382-L386 WeakPolarHBondContact O-CG 3.23Å; L382-L386 PolarHBondContact O-N 3.16Å; L383-L386 PolarHBondContact O-N 3.47Å; R384-L386 VanDerWaalsContact C-N 3.27Å; R384-L386 PolarHBondContact O-N 3.08Å; L386-I388 HydrophobicContact CB-CD1 3.88Å; L386-I388 HydrophobicContact CB-CG1 3.9Å; L386-I388 HydrophobicContact CD1-CD1 4.14Å; L386-I388 PolarHBondContact O-N 3Å; L386-I388 VanDerWaalsContact O-N 3.16Å
387E76.6Confident79.1Confident58 Ų5835 Ų3527%0.27119%0.192SC..THydrogen-bonded Turntrans53.136.6175.9-63.7177.6-171.400113.5Y141 Q145 K280 L383 R384 T385 A389Y141-E387 HydrophobicContact CD1-CB 4.49Å; Y141-E387 HydrophobicContact CD1-CG 4.34Å; Y141-E387 HydrophobicContact CD2-CB 3.68Å; Y141-E387 HydrophobicContact CD2-CG 3.8Å; Y141-E387 HydrophobicContact CE2-CB 3.71Å; Y141-E387 HydrophobicContact CE2-CG 4.34Å; Y141-E387 WeakPolarHBondContact CE2-O 3.44Å; Y141-E387 HydrophobicContact CG-CB 4.09Å; Y141-E387 HydrophobicContact CG-CG 3.8Å; Y141-E387 PolarHBondContact OH-O 2.99Å; Q145-E387 PolarHBondContact NE2-OE2 3.32Å; K280-E387 IonicContact NZ-OE1 3.19Å; K280-E387 PolarHBondContact NZ-OE1 2.86Å; K280-E387 IonicContact NZ-OE2 3.34Å; L383-E387 PolarHBondContact O-N 2.97Å; R384-E387 PolarHBondContact O-N 3.32Å; T385-E387 VanDerWaalsContact C-N 3.29Å; T385-E387 PolarHBondContact O-N 3.05Å; E387-A389 PolarHBondContact O-N 2.86Å
388I74.9Confident79.6Confident26 Ų2635.6 Ų35.613%0.13320%0.197CC..  trans-75.4118.6-177.6-66.9169.6000110.1Y141 L266 L383 L386 F394Y141-I388 PolarHBondContact OH-O 2.95Å; L266-I388 HydrophobicContact CD2-CD1 3.72Å; L383-I388 HydrophobicContact CD2-CD1 3.75Å; L386-I388 HydrophobicContact CB-CD1 3.88Å; L386-I388 HydrophobicContact CB-CG1 3.9Å; L386-I388 HydrophobicContact CD1-CD1 4.14Å; L386-I388 PolarHBondContact O-N 3Å; L386-I388 VanDerWaalsContact O-N 3.16Å; I388-F394 HydrophobicContact CD1-CE2 4.03Å; I388-F394 HydrophobicContact CD1-CZ 3.96Å; I388-F394 HydrophobicContact CG2-CD2 3.75Å; I388-F394 HydrophobicContact CG2-CE2 3.37Å; I388-F394 HydrophobicContact CG2-CZ 4.3Å
389A61.3Low79.9Confident39 Ų3938.1 Ų38.132%0.32221%0.211SC..SBendtrans-69.7-45.3-176.400000114.2S136 Y141 E387S136-A389 PolarHBondContact OG-O 3.15Å; S136-A389 VanDerWaalsContact OG-O 3.11Å; Y141-A389 VanDerWaalsContact OH-CA 3.23Å; Y141-A389 WeakPolarHBondContact OH-CA 3.38Å; Y141-A389 PolarHBondContact OH-N 2.84Å; E387-A389 PolarHBondContact O-N 2.86Å
390D69.4Low80.2Confident77 Ų7738.1 Ų38.141%0.41221%0.211SC..  trans-104.599.2-173.4-70.9-26.2000112.1S136 A392S136-D390 PolarHBondContact OG-OD1 3.26Å; D390-A392 VanDerWaalsContact C-N 3.31Å; D390-A392 PolarHBondContact O-N 3.08Å
391I70.2Confident80.7Confident33 Ų3335.8 Ų35.817%0.16920%0.2CC..THydrogen-bonded Turntrans-76.3-20.4-178.8-66.5172.1000112.4H135 Y304 D393 F394 S395H135-I391 WeakPolarHBondContact CD2-CD1 3.48Å; H135-I391 VanDerWaalsContact NE2-CD1 3.32Å; H135-I391 WeakPolarHBondContact NE2-CD1 3.47Å; Y304-I391 HydrophobicContact CD1-CD1 3.59Å; Y304-I391 HydrophobicContact CD1-CG2 4.18Å; Y304-I391 HydrophobicContact CD2-CD1 3.89Å; Y304-I391 HydrophobicContact CE1-CB 4.04Å; Y304-I391 HydrophobicContact CE1-CD1 3.32Å; Y304-I391 HydrophobicContact CE1-CG1 4.26Å; Y304-I391 HydrophobicContact CE1-CG2 3.79Å; Y304-I391 HydrophobicContact CE2-CD1 3.71Å; Y304-I391 HydrophobicContact CG-CD1 3.85Å; I391-D393 PolarHBondContact O-N 2.69Å; I391-F394 PolarHBondContact O-N 3.34Å; I391-S395 PolarHBondContact O-N 3.4Å
392A74Confident81.1Confident38 Ų3834.8 Ų34.831%0.31419%0.192SC..THydrogen-bonded Turntrans-56.8-37.8179.100000111.7D390 F394 S395D390-A392 VanDerWaalsContact C-N 3.31Å; D390-A392 PolarHBondContact O-N 3.08Å; A392-F394 VanDerWaalsContact C-N 3.31Å; A392-F394 PolarHBondContact O-N 3.28Å; A392-S395 VanDerWaalsContact O-CB 3.26Å; A392-S395 WeakPolarHBondContact O-CB 3.18Å; A392-S395 PolarHBondContact O-N 3.34Å; A392-S395 PolarHBondContact O-OG 3.26Å
393D79.1Confident81.5Confident104 Ų10434.8 Ų34.856%0.55619%0.192SC*.THydrogen-bonded Turntrans-64.2-36.7178.6-65-18.3000111.5N262 I391 S395N262-D393 PolarHBondContact ND2-O 3.48Å; N262-D393 PolarHBondContact OD1-O 3.42Å; I391-D393 PolarHBondContact O-N 2.69Å; D393-S395 VanDerWaalsContact C-N 3.29Å; D393-S395 PolarHBondContact O-N 2.55Å
394F85.2Confident81.9Confident13 Ų1333.8 Ų33.86%0.05719%0.187CC..THydrogen-bonded Turntrans-843.5-178.7-66-81000114.7N262 T265 L266 L383 I388 I391 A392 A396 V397 T398N262-F394 HydrophobicContact CB-CD1 4.04Å; N262-F394 HydrophobicContact CB-CE1 4.2Å; T265-F394 HydrophobicContact CG2-CZ 4.21Å; L266-F394 HydrophobicContact CD1-CD1 4.39Å; L266-F394 HydrophobicContact CD1-CE1 4.39Å; L266-F394 HydrophobicContact CD2-CD1 4.18Å; L266-F394 HydrophobicContact CD2-CE1 3.71Å; L266-F394 HydrophobicContact CD2-CZ 4.3Å; L266-F394 HydrophobicContact CG-CD1 4.19Å; L266-F394 HydrophobicContact CG-CE1 3.71Å; L383-F394 HydrophobicContact CD2-CD1 4.34Å; L383-F394 HydrophobicContact CD2-CG 4.2Å; I388-F394 HydrophobicContact CD1-CE2 4.03Å; I388-F394 HydrophobicContact CD1-CZ 3.96Å; I388-F394 HydrophobicContact CG2-CD2 3.75Å; I388-F394 HydrophobicContact CG2-CE2 3.37Å; I388-F394 HydrophobicContact CG2-CZ 4.3Å; I391-F394 PolarHBondContact O-N 3.34Å; A392-F394 VanDerWaalsContact C-N 3.31Å; A392-F394 PolarHBondContact O-N 3.28Å; F394-A396 PolarHBondContact O-N 2.77Å; F394-A396 VanDerWaalsContact O-N 3.09Å; F394-V397 PolarHBondContact O-N 2.61Å; F394-T398 PolarHBondContact O-N 2.85Å; F394-T398 VanDerWaalsContact O-N 3.12Å; F394-T398 PolarHBondContact O-OG1 2.77Å
395S85.3Confident82.3Confident52 Ų5228.5 Ų28.536%0.36417%0.167SC..Hα-helixtrans-53-35-177.758.30000114.5I391 A392 D393 L399I391-S395 PolarHBondContact O-N 3.4Å; A392-S395 VanDerWaalsContact O-CB 3.26Å; A392-S395 WeakPolarHBondContact O-CB 3.18Å; A392-S395 PolarHBondContact O-N 3.34Å; A392-S395 PolarHBondContact O-OG 3.26Å; D393-S395 VanDerWaalsContact C-N 3.29Å; D393-S395 PolarHBondContact O-N 2.55Å; S395-L399 WeakPolarHBondContact O-CB 3.15Å; S395-L399 PolarHBondContact O-N 2.88Å
396A90.2Very high82.7Confident6 Ų627.4 Ų27.45%0.0516%0.16CC..Hα-helixtrans-67.4-41.3178.400000113.3T255 R258 C259 F394 L399 I400T255-A396 HydrophobicContact CG2-CB 4.1Å; R258-A396 HydrophobicContact CB-CB 3.92Å; C259-A396 HydrophobicContact CB-CB 4.2Å; F394-A396 PolarHBondContact O-N 2.77Å; F394-A396 VanDerWaalsContact O-N 3.09Å; A396-L399 PolarHBondContact O-N 2.92Å; A396-I400 WeakPolarHBondContact O-CG1 3.31Å; A396-I400 PolarHBondContact O-N 2.89Å; A396-I400 VanDerWaalsContact O-N 3.14Å
397V90.5Very high83.2Confident2 Ų226.9 Ų26.91%0.01216%0.157CC..Hα-helixtrans-71.8-38.8179.4-179.70000110C259 N262 V263 L333 L379 F394 L399 I400 S401C259-V397 HydrophobicContact CB-CG2 4.42Å; N262-V397 HydrophobicContact CB-CG2 3.28Å; V263-V397 HydrophobicContact CG2-CG2 4.24Å; L333-V397 HydrophobicContact CD1-CG1 4.08Å; L379-V397 HydrophobicContact CD1-CG1 3.75Å; L379-V397 HydrophobicContact CD2-CB 4.44Å; L379-V397 HydrophobicContact CD2-CG1 3.81Å; L379-V397 HydrophobicContact CG-CG1 4.45Å; F394-V397 PolarHBondContact O-N 2.61Å; V397-L399 VanDerWaalsContact C-N 3.33Å; V397-L399 PolarHBondContact O-N 3.29Å; V397-I400 PolarHBondContact O-N 3.22Å; V397-S401 WeakPolarHBondContact O-CB 3.47Å; V397-S401 PolarHBondContact O-N 3.49Å; V397-S401 PolarHBondContact O-OG 2.87Å
398T88.4Confident83.7Confident33 Ų3324.1 Ų24.120%0.20215%0.145CC..Hα-helixtrans-60.3-43.6173.3-53.90000111.1F394 I400 S401 N402F394-T398 PolarHBondContact O-N 2.85Å; F394-T398 VanDerWaalsContact O-N 3.12Å; F394-T398 PolarHBondContact O-OG1 2.77Å; T398-I400 PolarHBondContact O-N 3.12Å; T398-S401 PolarHBondContact O-N 3.08Å; T398-N402 WeakPolarHBondContact O-CB 3.49Å; T398-N402 PolarHBondContact O-N 2.85Å; T398-N402 PolarHBondContact O-ND2 3.02Å; T398-N402 PolarHBondContact O-OD1 3.29Å
399L89.4Confident84.2Confident57 Ų5723.7 Ų23.730%0.29814%0.143SC..Hα-helixtrans-61.4-43.7177.5-171.265.4000112.3V249 T255 S395 A396 V397 N402 F403V249-L399 HydrophobicContact CG1-CD1 3.68Å; V249-L399 HydrophobicContact CG1-CD2 4.49Å; V249-L399 HydrophobicContact CG1-CG 3.94Å; T255-L399 HydrophobicContact CG2-CD2 3.97Å; S395-L399 WeakPolarHBondContact O-CB 3.15Å; S395-L399 PolarHBondContact O-N 2.88Å; A396-L399 PolarHBondContact O-N 2.92Å; V397-L399 VanDerWaalsContact C-N 3.33Å; V397-L399 PolarHBondContact O-N 3.29Å; L399-N402 PolarHBondContact O-N 2.84Å; L399-F403 WeakPolarHBondContact O-CB 3.41Å; L399-F403 PolarHBondContact O-N 3.15Å
400I91.7Very high85.2Confident3 Ų323.9 Ų23.92%0.01514%0.136CC..Hα-helixtrans-70.1-37.2179.7-71.2160.5000111.6L256 C259 F336 L337 L340 A396 V397 T398 F403 A404L256-I400 HydrophobicContact CD2-CD1 3.89Å; C259-I400 HydrophobicContact CB-CD1 3.35Å; C259-I400 WeakPolarHBondContact SG-CD1 3.37Å; F336-I400 HydrophobicContact CD1-CG2 3.89Å; F336-I400 HydrophobicContact CE1-CG2 3.79Å; L337-I400 HydrophobicContact CD1-CD1 4.15Å; L340-I400 HydrophobicContact CD1-CG2 4Å; A396-I400 WeakPolarHBondContact O-CG1 3.31Å; A396-I400 PolarHBondContact O-N 2.89Å; A396-I400 VanDerWaalsContact O-N 3.14Å; V397-I400 PolarHBondContact O-N 3.22Å; T398-I400 PolarHBondContact O-N 3.12Å; I400-F403 PolarHBondContact O-N 2.88Å; I400-A404 WeakPolarHBondContact O-CB 3.34Å; I400-A404 PolarHBondContact O-N 3.39Å
401S89.1Confident85.7Confident1 Ų122.8 Ų22.81%0.00714%0.135CC..Hα-helixtrans-68.7-36176-59.40000112L379 V397 T398 A404 T405L379-S401 WeakPolarHBondContact CD2-OG 3.07Å; V397-S401 WeakPolarHBondContact O-CB 3.47Å; V397-S401 PolarHBondContact O-N 3.49Å; V397-S401 PolarHBondContact O-OG 2.87Å; T398-S401 PolarHBondContact O-N 3.08Å; S401-A404 PolarHBondContact O-N 2.87Å; S401-T405 PolarHBondContact O-N 2.86Å; S401-T405 VanDerWaalsContact O-N 3.08Å; S401-T405 PolarHBondContact O-OG1 3Å
402N87.2Confident86.3Confident14 Ų1429.4 Ų29.48%0.07516%0.162CC..Hα-helixtrans-64.7-45.5171.4-72.5-11.4000111.1P308 T398 L399 A404 T405 L406P308-N402 WeakPolarHBondContact CD-OD1 3.3Å; P308-N402 HydrophobicContact CG-CB 3.97Å; P308-N402 VanDerWaalsContact CG-CG 3.48Å; P308-N402 WeakPolarHBondContact CG-OD1 3.15Å; T398-N402 WeakPolarHBondContact O-CB 3.49Å; T398-N402 PolarHBondContact O-N 2.85Å; T398-N402 PolarHBondContact O-ND2 3.02Å; T398-N402 PolarHBondContact O-OD1 3.29Å; L399-N402 PolarHBondContact O-N 2.84Å; N402-A404 PolarHBondContact O-N 2.74Å; N402-T405 PolarHBondContact O-N 3.27Å; N402-L406 WeakPolarHBondContact O-CB 3.46Å; N402-L406 WeakPolarHBondContact O-CG 3.41Å; N402-L406 PolarHBondContact O-N 3.03Å
403F90.8Very high86.7Confident0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-58.3-46.5174.2167-101.5000112.1V249 I251 F336 L340 F357 L399 I400 T405 L406 V407 L433 F435V249-F403 HydrophobicContact CG1-CB 4.25Å; I251-F403 HydrophobicContact CD1-CB 4.01Å; I251-F403 HydrophobicContact CD1-CD1 3.73Å; I251-F403 HydrophobicContact CD1-CD2 4.05Å; I251-F403 HydrophobicContact CD1-CE1 4.2Å; I251-F403 HydrophobicContact CD1-CE2 4.49Å; I251-F403 HydrophobicContact CD1-CG 3.64Å; F336-F403 HydrophobicContact CE1-CD1 4.23Å; F336-F403 HydrophobicContact CE1-CE1 4.49Å; F336-F403 HydrophobicContact CZ-CD1 4.02Å; F336-F403 AromaticContact CZ-CE1 3.9Å; F336-F403 HydrophobicContact CZ-CE1 3.9Å; L340-F403 HydrophobicContact CD1-CD1 4.47Å; L340-F403 HydrophobicContact CD1-CE1 4.39Å; L340-F403 HydrophobicContact CD2-CE1 3.85Å; F357-F403 HydrophobicContact CE1-CE1 4.1Å; F357-F403 AromaticContact CE1-CZ 3.88Å; F357-F403 HydrophobicContact CE1-CZ 3.88Å; F357-F403 HydrophobicContact CZ-CE1 4.2Å; F357-F403 AromaticContact CZ-CZ 3.98Å; F357-F403 HydrophobicContact CZ-CZ 3.98Å; L399-F403 WeakPolarHBondContact O-CB 3.41Å; L399-F403 PolarHBondContact O-N 3.15Å; I400-F403 PolarHBondContact O-N 2.88Å; F403-T405 VanDerWaalsContact C-N 3.28Å; F403-T405 PolarHBondContact O-N 3.44Å; F403-L406 PolarHBondContact O-N 2.93Å; F403-V407 HydrophobicContact CD1-CG2 4.49Å; F403-V407 HydrophobicContact CD2-CG2 3.76Å; F403-V407 HydrophobicContact CE1-CG2 4.12Å; F403-V407 HydrophobicContact CE2-CG2 3.31Å; F403-V407 HydrophobicContact CG-CG2 4.34Å; F403-V407 HydrophobicContact CZ-CG2 3.54Å; F403-V407 WeakPolarHBondContact O-CB 3.29Å; F403-V407 VanDerWaalsContact O-CG2 3.3Å; F403-V407 WeakPolarHBondContact O-CG2 3.18Å; F403-V407 PolarHBondContact O-N 2.97Å; F403-L433 HydrophobicContact CE2-CD2 3.87Å; F403-L433 HydrophobicContact CZ-CD2 4.01Å; F403-F435 HydrophobicContact CD2-CB 3.74Å; F403-F435 HydrophobicContact CD2-CD1 4.37Å; F403-F435 HydrophobicContact CD2-CD2 4.4Å; F403-F435 AromaticContact CD2-CG 3.9Å; F403-F435 HydrophobicContact CD2-CG 3.9Å; F403-F435 HydrophobicContact CE2-CB 3.65Å; F403-F435 AromaticContact CE2-CD2 3.93Å; F403-F435 HydrophobicContact CE2-CD2 3.93Å; F403-F435 AromaticContact CE2-CG 3.83Å; F403-F435 HydrophobicContact CE2-CG 3.83Å
404A89.9Confident87.3Confident1 Ų123.7 Ų23.71%0.00813%0.128CC..Hα-helixtrans-56.5-43.7176.400000112.1F336 L372 C375 I400 S401 N402 S408F336-A404 HydrophobicContact CE1-CB 3.78Å; F336-A404 HydrophobicContact CZ-CB 3.97Å; L372-A404 HydrophobicContact CD2-CB 3.85Å; C375-A404 HydrophobicContact CB-CB 4.12Å; I400-A404 WeakPolarHBondContact O-CB 3.34Å; I400-A404 PolarHBondContact O-N 3.39Å; S401-A404 PolarHBondContact O-N 2.87Å; N402-A404 PolarHBondContact O-N 2.74Å; A404-S408 WeakPolarHBondContact O-CB 3.5Å; A404-S408 PolarHBondContact O-N 3.43Å; A404-S408 PolarHBondContact O-OG 3.06Å
405T87.3Confident87.6Confident1 Ų123.7 Ų23.71%0.00613%0.129CC..Hα-helixtrans-64.5-49.1178.5-55.90000110.8L310 R373 A376 S401 N402 F403 V407 S408 T409L310-T405 HydrophobicContact CD2-CG2 4.16Å; L310-T405 HydrophobicContact CG-CG2 4.46Å; R373-T405 WeakPolarHBondContact O-CG2 2.85Å; A376-T405 VanDerWaalsContact CB-OG1 3.3Å; A376-T405 WeakPolarHBondContact CB-OG1 3.39Å; A376-T405 PolarHBondContact N-OG1 3.1Å; S401-T405 PolarHBondContact O-N 2.86Å; S401-T405 VanDerWaalsContact O-N 3.08Å; S401-T405 PolarHBondContact O-OG1 3Å; N402-T405 PolarHBondContact O-N 3.27Å; F403-T405 VanDerWaalsContact C-N 3.28Å; F403-T405 PolarHBondContact O-N 3.44Å; T405-V407 PolarHBondContact O-N 2.88Å; T405-S408 PolarHBondContact O-N 3.31Å; T405-S408 PolarHBondContact O-OG 2.93Å; T405-T409 PolarHBondContact O-N 3.42Å; T405-T409 PolarHBondContact O-OG1 3.31Å; T405-T409 VanDerWaalsContact O-OG1 3.09Å
406L86.9Confident88Confident3 Ų321.3 Ų21.32%0.01611%0.112CC..Hα-helixtrans-58.6-50.2179.8-76.6171.8000112.9V249 V309 N402 F403 S408 T409 Y410 F435V249-L406 HydrophobicContact CG2-CD1 3.66Å; V309-L406 HydrophobicContact CB-CD2 4.01Å; V309-L406 HydrophobicContact CG2-CD2 3.24Å; V309-L406 HydrophobicContact CG2-CG 4.49Å; N402-L406 WeakPolarHBondContact O-CB 3.46Å; N402-L406 WeakPolarHBondContact O-CG 3.41Å; N402-L406 PolarHBondContact O-N 3.03Å; F403-L406 PolarHBondContact O-N 2.93Å; L406-S408 PolarHBondContact O-N 3.46Å; L406-T409 PolarHBondContact O-N 3.47Å; L406-Y410 HydrophobicContact CD2-CD2 4.28Å; L406-Y410 PolarHBondContact O-N 3.01Å; L406-F435 HydrophobicContact CB-CD1 4.27Å; L406-F435 HydrophobicContact CB-CE1 3.55Å; L406-F435 HydrophobicContact CB-CZ 4.07Å; L406-F435 HydrophobicContact CD1-CD1 4.2Å; L406-F435 HydrophobicContact CD1-CE1 4.05Å; L406-F435 HydrophobicContact CG-CE1 4.3Å
407V89.7Confident88.1Confident3 Ų321 Ų212%0.01811%0.11CC..Hα-helixtrans-59.5-37.5178.9170.70000111.3F357 L358 F403 T405 I416 F435F357-V407 HydrophobicContact CD1-CG1 3.72Å; F357-V407 HydrophobicContact CE1-CG1 4.12Å; L358-V407 HydrophobicContact CD2-CG1 3.83Å; L358-V407 HydrophobicContact CG-CG1 3.97Å; F403-V407 HydrophobicContact CD1-CG2 4.49Å; F403-V407 HydrophobicContact CD2-CG2 3.76Å; F403-V407 HydrophobicContact CE1-CG2 4.12Å; F403-V407 HydrophobicContact CE2-CG2 3.31Å; F403-V407 HydrophobicContact CG-CG2 4.34Å; F403-V407 HydrophobicContact CZ-CG2 3.54Å; F403-V407 WeakPolarHBondContact O-CB 3.29Å; F403-V407 VanDerWaalsContact O-CG2 3.3Å; F403-V407 WeakPolarHBondContact O-CG2 3.18Å; F403-V407 PolarHBondContact O-N 2.97Å; T405-V407 PolarHBondContact O-N 2.88Å; V407-I416 HydrophobicContact CG2-CD1 4.37Å; V407-F435 HydrophobicContact CG2-CD2 3.83Å; V407-F435 HydrophobicContact CG2-CE2 3.61Å; V407-F435 HydrophobicContact CG2-CG 4.45Å; V407-F435 HydrophobicContact CG2-CZ 4.1Å
408S87.9Confident88.2Confident0 Ų021 Ų210%011%0.109CC..Hα-helixtrans-75.9-29.6179.677.90000113.6R369 R373 A404 T405 L406R369-S408 PolarHBondContact NE-O 3.06Å; R369-S408 PolarHBondContact NH2-O 3.42Å; R373-S408 WeakPolarHBondContact CA-OG 3.41Å; R373-S408 WeakPolarHBondContact CB-OG 3.44Å; R373-S408 PolarHBondContact N-OG 3.48Å; A404-S408 WeakPolarHBondContact O-CB 3.5Å; A404-S408 PolarHBondContact O-N 3.43Å; A404-S408 PolarHBondContact O-OG 3.06Å; T405-S408 PolarHBondContact O-N 3.31Å; T405-S408 PolarHBondContact O-OG 2.93Å; L406-S408 PolarHBondContact O-N 3.46Å
409T84.3Confident88.2Confident18 Ų1820.3 Ų20.311%0.1110%0.104CC..Hα-helixtrans-86-48.6-177-60.10000110.9L310 T405 L406L310-T409 HydrophobicContact CD2-CG2 4.47Å; L310-T409 WeakPolarHBondContact CD2-OG1 3.49Å; T405-T409 PolarHBondContact O-N 3.42Å; T405-T409 PolarHBondContact O-OG1 3.31Å; T405-T409 VanDerWaalsContact O-OG1 3.09Å; L406-T409 PolarHBondContact O-N 3.47Å
410Y83.8Confident88Confident42 Ų4218 Ų1817%0.1659%0.092CC..  trans-99.1111.5-172.1-68.6-83.2000112.1V309 L406 F414 I442V309-Y410 HydrophobicContact CB-CE2 3.55Å; V309-Y410 HydrophobicContact CG1-CD2 4.49Å; V309-Y410 HydrophobicContact CG1-CE2 3.27Å; V309-Y410 WeakPolarHBondContact CG1-OH 3.43Å; V309-Y410 HydrophobicContact CG2-CE2 4.25Å; L406-Y410 HydrophobicContact CD2-CD2 4.28Å; L406-Y410 PolarHBondContact O-N 3.01Å; Y410-F414 HydrophobicContact CD1-CD2 4.39Å; Y410-F414 AromaticContact CD1-CE2 3.58Å; Y410-F414 HydrophobicContact CD1-CE2 3.58Å; Y410-F414 HydrophobicContact CD1-CZ 4.27Å; Y410-F414 HydrophobicContact CD2-CE2 4.32Å; Y410-F414 HydrophobicContact CD2-CZ 4.42Å; Y410-F414 HydrophobicContact CG-CD2 4.07Å; Y410-F414 AromaticContact CG-CE2 3.43Å; Y410-F414 HydrophobicContact CG-CE2 3.43Å; Y410-F414 VanDerWaalsContact CG-CE2 3.43Å; Y410-F414 AromaticContact CG-CZ 3.94Å; Y410-F414 HydrophobicContact CG-CZ 3.94Å; Y410-I442 HydrophobicContact CD1-CD1 4.27Å; Y410-I442 HydrophobicContact CD1-CG2 4Å; Y410-I442 HydrophobicContact CE1-CG2 3.43Å; Y410-I442 VanDerWaalsContact CE1-CG2 3.43Å
411S78.8Confident87.6Confident55 Ų5521.4 Ų21.439%0.38511%0.107SC..  trans-99.9-21.717953.10000113.9
412K82.5Confident87Confident172 Ų17225.8 Ų25.875%0.74813%0.128SC*.SBendtrans-116.9143.9-178.5-64.5-174.7177.7-175.80109.8F414K412-F414 VanDerWaalsContact C-N 3.31Å; K412-F414 WeakPolarHBondContact O-CD2 3.24Å; K412-F414 PolarHBondContact O-N 2.84Å
413G83.5Confident86.2Confident9 Ų929.2 Ų29.29%0.09315%0.146CC..SBendtrans80.35.4176.300000115.1M438 D439G413-M438 PolarHBondContact O-N 3.23Å; G413-D439 PolarHBondContact O-N 3.32Å
414F90.3Very high85.2Confident12 Ų1237.3 Ų37.35%0.05318%0.176CC..EExtended strand (participates in β ladder)trans-123.5144.7177.1-69.4-99.3000110.9M247 Y410 K412 F435 S436 C437 I442M247-F414 HydrophobicContact CB-CE1 4.04Å; M247-F414 HydrophobicContact CB-CZ 4.21Å; Y410-F414 HydrophobicContact CD1-CD2 4.39Å; Y410-F414 AromaticContact CD1-CE2 3.58Å; Y410-F414 HydrophobicContact CD1-CE2 3.58Å; Y410-F414 HydrophobicContact CD1-CZ 4.27Å; Y410-F414 HydrophobicContact CD2-CE2 4.32Å; Y410-F414 HydrophobicContact CD2-CZ 4.42Å; Y410-F414 HydrophobicContact CG-CD2 4.07Å; Y410-F414 AromaticContact CG-CE2 3.43Å; Y410-F414 HydrophobicContact CG-CE2 3.43Å; Y410-F414 VanDerWaalsContact CG-CE2 3.43Å; Y410-F414 AromaticContact CG-CZ 3.94Å; Y410-F414 HydrophobicContact CG-CZ 3.94Å; K412-F414 VanDerWaalsContact C-N 3.31Å; K412-F414 WeakPolarHBondContact O-CD2 3.24Å; K412-F414 PolarHBondContact O-N 2.84Å; F414-F435 HydrophobicContact CB-CE2 3.84Å; F414-F435 HydrophobicContact CB-CZ 3.77Å; F414-F435 HydrophobicContact CD1-CD1 4.15Å; F414-F435 AromaticContact CD1-CE1 3.3Å; F414-F435 HydrophobicContact CD1-CE1 3.3Å; F414-F435 HydrophobicContact CD1-CE2 4.05Å; F414-F435 AromaticContact CD1-CZ 3.27Å; F414-F435 HydrophobicContact CD1-CZ 3.27Å; F414-F435 AromaticContact CE1-CE1 3.64Å; F414-F435 HydrophobicContact CE1-CE1 3.64Å; F414-F435 AromaticContact CE1-CZ 3.97Å; F414-F435 HydrophobicContact CE1-CZ 3.97Å; F414-F435 HydrophobicContact CG-CE1 4.16Å; F414-F435 HydrophobicContact CG-CE2 4.24Å; F414-F435 AromaticContact CG-CZ 3.65Å; F414-F435 HydrophobicContact CG-CZ 3.65Å; F414-S436 WeakPolarHBondContact CA-O 3.12Å; F414-C437 HydrophobicContact CD1-CB 3.9Å; F414-C437 HydrophobicContact CE1-CB 3.51Å; F414-C437 HydrophobicContact CZ-CB 4.07Å; F414-I442 HydrophobicContact CD2-CD1 4.32Å; F414-I442 HydrophobicContact CE2-CD1 3.6Å; F414-I442 HydrophobicContact CZ-CD1 4.41Å
415T92.3Very high84.5Confident14 Ų1439.5 Ų39.59%0.08619%0.19CC..EExtended strand (participates in β ladder)trans-130.5146.2173.4-164.30000110E352 I417 S436 M438 A635E352-T415 PolarHBondContact O-OG1 3.01Å; T415-I417 HydrophobicContact CG2-CD1 3.86Å; T415-I417 HydrophobicContact CG2-CG1 3.96Å; T415-S436 PolarHBondContact N-O 3.03Å; T415-S436 PolarHBondContact O-N 3.23Å; T415-M438 HydrophobicContact CG2-CE 3.3Å; T415-M438 HydrophobicContact CG2-CG 4.33Å; T415-A635 HydrophobicContact CG2-CB 4.13Å
416I93.1Very high83.8Confident1 Ų143.7 Ų43.71%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-101.9125.1170.4-65.3163.2000107Q351 E352 F357 V407 I418 L433 H434 F435Q351-I416 WeakPolarHBondContact CA-O 3.36Å; E352-I416 PolarHBondContact N-O 2.7Å; E352-I416 PolarHBondContact O-N 3.18Å; F357-I416 HydrophobicContact CB-CD1 3.51Å; F357-I416 HydrophobicContact CD1-CD1 3.57Å; F357-I416 HydrophobicContact CD2-CD1 3.87Å; F357-I416 HydrophobicContact CE1-CD1 4.14Å; F357-I416 HydrophobicContact CE2-CD1 4.42Å; F357-I416 HydrophobicContact CG-CD1 3.38Å; V407-I416 HydrophobicContact CG2-CD1 4.37Å; I416-I418 HydrophobicContact CG2-CG1 4.3Å; I416-L433 HydrophobicContact CG2-CD1 4.31Å; I416-L433 HydrophobicContact CG2-CD2 4.19Å; I416-L433 HydrophobicContact CG2-CG 4.1Å; I416-H434 CarbonylContact C-O 3.58Å; I416-H434 WeakPolarHBondContact CA-O 3.28Å; I416-F435 HydrophobicContact CD1-CD2 4.38Å; I416-F435 HydrophobicContact CG1-CD2 3.67Å; I416-F435 HydrophobicContact CG1-CE2 4.24Å
417I92.8Very high83.2Confident0 Ų049.8 Ų49.80%026%0.255CS..EExtended strand (participates in β ladder)trans-123.4125.5176.3-59.5168000107.4V350 Q351 T415 E419 H434 R631 I632 A635V350-I417 CarbonylContact O-C 3.36Å; V350-I417 WeakPolarHBondContact O-CA 3.33Å; Q351-I417 HydrophobicContact CG-CG1 4.29Å; T415-I417 HydrophobicContact CG2-CD1 3.86Å; T415-I417 HydrophobicContact CG2-CG1 3.96Å; I417-E419 HydrophobicContact CG2-CG 4.01Å; I417-H434 HydrophobicContact CB-CB 4.34Å; I417-H434 PolarHBondContact N-O 3Å; I417-H434 PolarHBondContact O-N 2.9Å; I417-R631 HydrophobicContact CD1-CB 4.36Å; I417-R631 HydrophobicContact CG2-CB 4.17Å; I417-I632 HydrophobicContact CD1-CB 4.48Å; I417-I632 HydrophobicContact CD1-CG1 4.01Å; I417-A635 HydrophobicContact CD1-CB 4.26Å
418I91.8Very high82.8Confident1 Ų154.6 Ų54.61%0.00528%0.279CS..EExtended strand (participates in β ladder)trans-110116176.7-56.2174.2000107.5R343 V349 V350 I416 L433R343-I418 HydrophobicContact CB-CD1 4.4Å; V349-I418 VanDerWaalsContact CA-O 3.31Å; V349-I418 WeakPolarHBondContact CA-O 3.31Å; V350-I418 HydrophobicContact CB-CB 4.36Å; V350-I418 PolarHBondContact N-O 3.41Å; V350-I418 VanDerWaalsContact N-O 3.08Å; V350-I418 PolarHBondContact O-N 3.36Å; I416-I418 HydrophobicContact CG2-CG1 4.3Å; I418-L433 HydrophobicContact CD1-CD1 4.23Å; I418-L433 HydrophobicContact CG1-CB 4.42Å; I418-L433 HydrophobicContact CG1-CD1 4.07Å; I418-L433 HydrophobicContact CG1-CG 4.04Å
419E89.3Confident82.2Confident20 Ų2058 Ų589%0.09331%0.307CS..EExtended strand (participates in β ladder)trans-110.3114.1177.8-70.4179171.900108.6V349 I417 P431 V432 H434V349-E419 HydrophobicContact CG1-CG 4.41Å; I417-E419 HydrophobicContact CG2-CG 4.01Å; E419-P431 CarbonylContact O-C 3.55Å; E419-P431 VanDerWaalsContact O-CA 3.26Å; E419-P431 WeakPolarHBondContact O-CA 3.32Å; E419-V432 PolarHBondContact N-O 3.23Å; E419-V432 PolarHBondContact O-N 3.38Å; E419-H434 IonicContact OE2-CD2 3.61Å; E419-H434 IonicContact OE2-NE2 3.07Å
420P85.1Confident82.2Confident7 Ų759.8 Ų59.85%0.04532%0.316CS..EExtended strand (participates in β ladder)trans-75.8-26.5-178.925.9-31.4000113.9V346 Q347 N430V346-P420 WeakPolarHBondContact O-CB 3.31Å; Q347-P420 WeakPolarHBondContact O-CG 3.27Å; P420-N430 CarbonylContact O-C 3.48Å; P420-N430 PolarHBondContact O-N 3.08Å; P420-N430 VanDerWaalsContact O-N 3.13Å
421F83.4Confident82.5Confident76 Ų7658.5 Ų58.533%0.33331%0.313SS..EExtended strand (participates in β ladder)trans-126.7146.3-178.5-47.5-73.5000108.3Q347 P426 A429Q347-F421 WeakPolarHBondContact O-CE2 3.44Å; F421-P426 VanDerWaalsContact CD1-O 3.29Å; F421-P426 WeakPolarHBondContact CD1-O 3.31Å; F421-P426 WeakPolarHBondContact CG-O 3.22Å; F421-A429 HydrophobicContact CE1-CB 4.27Å
422E76.2Confident83Confident93 Ų9356.9 Ų56.944%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-76.7141171.8-171.7171.3-177.600109.3R424 T425E422-R424 PolarHBondContact O-N 3.08Å; E422-T425 CarbonylContact O-C 3.59Å; E422-T425 VanDerWaalsContact O-C 3.32Å; E422-T425 PolarHBondContact O-N 3.41Å
423D71Confident83.5Confident86 Ų8648.7 Ų48.746%0.4627%0.265SS..THydrogen-bonded Turntrans-53.9-30.3-177.5-73.8-29.5000113.1Y627D423-Y627 HydrophobicContact CB-CE1 4.3Å; D423-Y627 WeakPolarHBondContact OD2-CE1 3.46Å
424R70.2Confident84Confident170 Ų17049.4 Ų49.464%0.64227%0.266SS*.THydrogen-bonded Turntrans-81-25.8-179.6-64.3-175.7179.1-172.22.6113.8E422E422-R424 PolarHBondContact O-N 3.08Å
425T75.2Confident84.1Confident47 Ų4748.8 Ų48.829%0.28826%0.263SS..EExtended strand (participates in β ladder)trans-135.473-172.547.70000109.8E422 T427 I428E422-T425 CarbonylContact O-C 3.59Å; E422-T425 VanDerWaalsContact O-C 3.32Å; E422-T425 PolarHBondContact O-N 3.41Å; T425-T427 PolarHBondContact O-N 3.42Å; T425-I428 HydrophobicContact CG2-CD1 4.25Å; T425-I428 PolarHBondContact O-N 3.35Å; T425-I428 VanDerWaalsContact O-N 3.09Å
426P72.3Confident84.1Confident89 Ų8948.4 Ų48.458%0.57826%0.261SS*.EExtended strand (participates in β ladder)trans-64-16.2-172.526-35.5000114F421F421-P426 VanDerWaalsContact CD1-O 3.29Å; F421-P426 WeakPolarHBondContact CD1-O 3.31Å; F421-P426 WeakPolarHBondContact CG-O 3.22Å
427T74.6Confident84Confident131 Ų13148.4 Ų48.480%0.80426%0.261SS*.EExtended strand (participates in β ladder)trans-92-19.3179.947.30000113.6T425T425-T427 PolarHBondContact O-N 3.42Å
428I81.2Confident83.8Confident103 Ų10348.6 Ų48.653%0.52826%0.262SS..EExtended strand (participates in β ladder)trans-95.4113-177.6-58.5178000108T425 N430T425-I428 HydrophobicContact CG2-CD1 4.25Å; T425-I428 PolarHBondContact O-N 3.35Å; T425-I428 VanDerWaalsContact O-N 3.09Å; I428-N430 PolarHBondContact O-N 3.1Å
429A75.8Confident83.8Confident72 Ų7249.4 Ų49.460%0.59527%0.266SS*.EExtended strand (participates in β ladder)trans-66.9101176.200000110.3F421F421-A429 HydrophobicContact CE1-CB 4.27Å
430N83.9Confident83.8Confident56 Ų5648.5 Ų48.530%0.29926%0.262SS..EExtended strand (participates in β ladder)trans-127.876.9174.2-171.620.9000108.7P420 I428 V432P420-N430 CarbonylContact O-C 3.48Å; P420-N430 PolarHBondContact O-N 3.08Å; P420-N430 VanDerWaalsContact O-N 3.13Å; I428-N430 PolarHBondContact O-N 3.1Å; N430-V432 PolarHBondContact O-N 3.1Å
431P88.5Confident84Confident14 Ų1448.7 Ų48.79%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-69.8128.5-172.827.2-34000111.1R253 L344 E419R253-P431 HydrophobicContact CB-CG 4.3Å; L344-P431 HydrophobicContact CB-CB 4.33Å; L344-P431 HydrophobicContact CD2-CB 4.31Å; L344-P431 HydrophobicContact CD2-CG 4.5Å; L344-P431 HydrophobicContact CG-CB 4.44Å; L344-P431 WeakPolarHBondContact O-CB 3.17Å; E419-P431 CarbonylContact O-C 3.55Å; E419-P431 VanDerWaalsContact O-CA 3.26Å; E419-P431 WeakPolarHBondContact O-CA 3.32Å
432V90.9Very high84.2Confident22 Ų2246.5 Ų46.513%0.13326%0.255CS..EExtended strand (participates in β ladder)trans-124.9134.5176-171.50000109.3I251 T252 E419 N430 H434I251-V432 WeakPolarHBondContact O-CA 3.17Å; T252-V432 HydrophobicContact CG2-CG1 4.39Å; T252-V432 HydrophobicContact CG2-CG2 4.25Å; E419-V432 PolarHBondContact N-O 3.23Å; E419-V432 PolarHBondContact O-N 3.38Å; N430-V432 PolarHBondContact O-N 3.1Å; V432-H434 WeakPolarHBondContact CG1-CE1 3.29Å; V432-H434 WeakPolarHBondContact CG1-NE2 3.48Å
433L93.1Very high84.7Confident0 Ų042.4 Ų42.40%024%0.237CC..EExtended strand (participates in β ladder)trans-105.6118.2170.1-178.2160.4000108.4I251 L340 L344 F403 I416 I418I251-L433 HydrophobicContact CB-CB 4.32Å; I251-L433 HydrophobicContact CD1-CD2 4.37Å; I251-L433 PolarHBondContact N-O 2.69Å; I251-L433 PolarHBondContact O-N 3.45Å; L340-L433 HydrophobicContact CD2-CD1 4.42Å; L344-L433 HydrophobicContact CD1-CB 3.95Å; L344-L433 HydrophobicContact CD1-CD1 3.94Å; L344-L433 HydrophobicContact CG-CB 4.49Å; F403-L433 HydrophobicContact CE2-CD2 3.87Å; F403-L433 HydrophobicContact CZ-CD2 4.01Å; I416-L433 HydrophobicContact CG2-CD1 4.31Å; I416-L433 HydrophobicContact CG2-CD2 4.19Å; I416-L433 HydrophobicContact CG2-CG 4.1Å; I418-L433 HydrophobicContact CD1-CD1 4.23Å; I418-L433 HydrophobicContact CG1-CB 4.42Å; I418-L433 HydrophobicContact CG1-CD1 4.07Å; I418-L433 HydrophobicContact CG1-CG 4.04Å
434H92.6Very high85.5Confident23 Ų2338.3 Ų38.311%0.10622%0.216CC..EExtended strand (participates in β ladder)trans-99.6113.3175.6-61.7-71.5000109.5N250 I416 I417 E419 V432 I632N250-H434 PolarHBondContact OD1-ND1 3.01Å; I416-H434 CarbonylContact C-O 3.58Å; I416-H434 WeakPolarHBondContact CA-O 3.28Å; I417-H434 HydrophobicContact CB-CB 4.34Å; I417-H434 PolarHBondContact N-O 3Å; I417-H434 PolarHBondContact O-N 2.9Å; E419-H434 IonicContact OE2-CD2 3.61Å; E419-H434 IonicContact OE2-NE2 3.07Å; V432-H434 WeakPolarHBondContact CG1-CE1 3.29Å; V432-H434 WeakPolarHBondContact CG1-NE2 3.48Å; H434-I632 HydrophobicContact CB-CD1 4.43Å
435F93Very high86.4Confident0 Ų035.5 Ų35.50%021%0.208CC..EExtended strand (participates in β ladder)trans-92.895.7162.2-176.3-110.6000107.5S248 V249 F403 L406 V407 F414 I416S248-F435 CarbonylContact C-O 3.5Å; S248-F435 WeakPolarHBondContact CA-O 3.16Å; S248-F435 VanDerWaalsContact CB-O 3.31Å; S248-F435 WeakPolarHBondContact CB-O 3.38Å; V249-F435 HydrophobicContact CB-CB 4.3Å; V249-F435 PolarHBondContact N-O 3.19Å; V249-F435 PolarHBondContact O-N 3.46Å; F403-F435 HydrophobicContact CD2-CB 3.74Å; F403-F435 HydrophobicContact CD2-CD1 4.37Å; F403-F435 HydrophobicContact CD2-CD2 4.4Å; F403-F435 AromaticContact CD2-CG 3.9Å; F403-F435 HydrophobicContact CD2-CG 3.9Å; F403-F435 HydrophobicContact CE2-CB 3.65Å; F403-F435 AromaticContact CE2-CD2 3.93Å; F403-F435 HydrophobicContact CE2-CD2 3.93Å; F403-F435 AromaticContact CE2-CG 3.83Å; F403-F435 HydrophobicContact CE2-CG 3.83Å; L406-F435 HydrophobicContact CB-CD1 4.27Å; L406-F435 HydrophobicContact CB-CE1 3.55Å; L406-F435 HydrophobicContact CB-CZ 4.07Å; L406-F435 HydrophobicContact CD1-CD1 4.2Å; L406-F435 HydrophobicContact CD1-CE1 4.05Å; L406-F435 HydrophobicContact CG-CE1 4.3Å; V407-F435 HydrophobicContact CG2-CD2 3.83Å; V407-F435 HydrophobicContact CG2-CE2 3.61Å; V407-F435 HydrophobicContact CG2-CG 4.45Å; V407-F435 HydrophobicContact CG2-CZ 4.1Å; F414-F435 HydrophobicContact CB-CE2 3.84Å; F414-F435 HydrophobicContact CB-CZ 3.77Å; F414-F435 HydrophobicContact CD1-CD1 4.15Å; F414-F435 AromaticContact CD1-CE1 3.3Å; F414-F435 HydrophobicContact CD1-CE1 3.3Å; F414-F435 HydrophobicContact CD1-CE2 4.05Å; F414-F435 AromaticContact CD1-CZ 3.27Å; F414-F435 HydrophobicContact CD1-CZ 3.27Å; F414-F435 AromaticContact CE1-CE1 3.64Å; F414-F435 HydrophobicContact CE1-CE1 3.64Å; F414-F435 AromaticContact CE1-CZ 3.97Å; F414-F435 HydrophobicContact CE1-CZ 3.97Å; F414-F435 HydrophobicContact CG-CE1 4.16Å; F414-F435 HydrophobicContact CG-CE2 4.24Å; F414-F435 AromaticContact CG-CZ 3.65Å; F414-F435 HydrophobicContact CG-CZ 3.65Å; I416-F435 HydrophobicContact CD1-CD2 4.38Å; I416-F435 HydrophobicContact CG1-CD2 3.67Å; I416-F435 HydrophobicContact CG1-CE2 4.24Å
436S91.4Very high86.9Confident6 Ų637 Ų374%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-106.2129.1-171.5-176.30000110.8F414 T415 M438F414-S436 WeakPolarHBondContact CA-O 3.12Å; T415-S436 PolarHBondContact N-O 3.03Å; T415-S436 PolarHBondContact O-N 3.23Å; S436-M438 VanDerWaalsContact OG-CE 3.29Å; S436-M438 WeakPolarHBondContact OG-CE 3.48Å
437C91Very high87.6Confident1 Ų133 Ų331%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-78.3129.1169.7-172.10000109I244 M247 F414 D439I244-C437 WeakPolarHBondContact CG1-O 3.34Å; I244-C437 VanDerWaalsContact CG2-O 3.23Å; I244-C437 WeakPolarHBondContact CG2-O 3.34Å; M247-C437 HydrophobicContact CB-CB 3.79Å; F414-C437 HydrophobicContact CD1-CB 3.9Å; F414-C437 HydrophobicContact CE1-CB 3.51Å; F414-C437 HydrophobicContact CZ-CB 4.07Å; C437-D439 PolarHBondContact SG-O 3.05Å
438M90.4Very high88.4Confident4 Ų427.8 Ų27.82%0.0216%0.159CC..  trans-102.5-18.8175.9-60.1-56.8163.900112.3G413 T415 S436 P440 I632 A635 R636 Y639G413-M438 PolarHBondContact O-N 3.23Å; T415-M438 HydrophobicContact CG2-CE 3.3Å; T415-M438 HydrophobicContact CG2-CG 4.33Å; S436-M438 VanDerWaalsContact OG-CE 3.29Å; S436-M438 WeakPolarHBondContact OG-CE 3.48Å; M438-P440 WeakPolarHBondContact O-CD 3.35Å; M438-I632 HydrophobicContact CE-CG2 4.1Å; M438-A635 HydrophobicContact CE-CB 3.95Å; M438-R636 WeakPolarHBondContact SD-CA 3.29Å; M438-R636 HydrophobicContact SD-CB 3.48Å; M438-R636 WeakPolarHBondContact SD-CB 3.44Å; M438-R636 HydrophobicContact SD-CG 4Å; M438-Y639 HydrophobicContact CB-CD1 3.72Å; M438-Y639 HydrophobicContact CB-CD2 4.44Å; M438-Y639 HydrophobicContact CB-CE1 4.34Å; M438-Y639 HydrophobicContact CB-CG 3.78Å
439D90.3Very high88.7Confident18 Ų1830 Ų3010%0.09617%0.166CC..  trans-106.699.3-176.7-170.9-2.2000111.4G413 C437 S441 I442 Y639G413-D439 PolarHBondContact O-N 3.32Å; C437-D439 PolarHBondContact SG-O 3.05Å; D439-S441 PolarHBondContact O-N 2.97Å; D439-S441 WeakPolarHBondContact OD1-CB 3.42Å; D439-S441 PolarHBondContact OD1-N 2.99Å; D439-S441 PolarHBondContact OD1-OG 3.34Å; D439-S441 PolarHBondContact OD2-OG 3.34Å; D439-S441 VanDerWaalsContact OD2-OG 3.08Å; D439-I442 HydrophobicContact CB-CD1 3.84Å; D439-I442 HydrophobicContact CB-CG1 4.03Å; D439-I442 PolarHBondContact O-N 2.82Å; D439-Y639 HydrophobicContact CB-CE1 3.68Å; D439-Y639 WeakPolarHBondContact CB-OH 3.46Å; D439-Y639 PolarHBondContact OD2-OH 3.3Å
440P89.6Confident89.2Confident0 Ų029.8 Ų29.80%015%0.151CC..THydrogen-bonded Turntrans-69.7-17.8178.530-34.2000112.6D240 C243 I244 M438 I442 A443 I470 L471D240-P440 HydrophobicContact CB-CB 4.27Å; D240-P440 HydrophobicContact CB-CG 4.3Å; C243-P440 HydrophobicContact CB-CB 3.7Å; I244-P440 HydrophobicContact CG1-CB 4.46Å; M438-P440 WeakPolarHBondContact O-CD 3.35Å; P440-I442 PolarHBondContact O-N 2.91Å; P440-A443 PolarHBondContact O-N 3.09Å; P440-I470 HydrophobicContact CG-CG2 3.34Å; P440-L471 HydrophobicContact CB-CD2 4.13Å; P440-L471 HydrophobicContact CG-CD2 4.25Å
441S89.6Confident89.5Confident11 Ų1127.5 Ų27.58%0.07714%0.138CC..Hα-helixtrans-61.1-31179.5770000111.8D439 A443 I444 K445D439-S441 PolarHBondContact O-N 2.97Å; D439-S441 WeakPolarHBondContact OD1-CB 3.42Å; D439-S441 PolarHBondContact OD1-N 2.99Å; D439-S441 PolarHBondContact OD1-OG 3.34Å; D439-S441 PolarHBondContact OD2-OG 3.34Å; D439-S441 VanDerWaalsContact OD2-OG 3.08Å; S441-A443 VanDerWaalsContact C-N 3.32Å; S441-A443 PolarHBondContact O-N 3.15Å; S441-I444 PolarHBondContact O-N 2.97Å; S441-K445 WeakPolarHBondContact O-CB 3.26Å; S441-K445 PolarHBondContact O-N 2.89Å
442I87.4Confident89.5Confident30 Ų3028.6 Ų28.615%0.15414%0.142CC..Hα-helixtrans-61.2-40.6-177.2-60.9177.7000111.6Y410 F414 D439 P440Y410-I442 HydrophobicContact CD1-CD1 4.27Å; Y410-I442 HydrophobicContact CD1-CG2 4Å; Y410-I442 HydrophobicContact CE1-CG2 3.43Å; Y410-I442 VanDerWaalsContact CE1-CG2 3.43Å; F414-I442 HydrophobicContact CD2-CD1 4.32Å; F414-I442 HydrophobicContact CE2-CD1 3.6Å; F414-I442 HydrophobicContact CZ-CD1 4.41Å; D439-I442 HydrophobicContact CB-CD1 3.84Å; D439-I442 HydrophobicContact CB-CG1 4.03Å; D439-I442 PolarHBondContact O-N 2.82Å; P440-I442 PolarHBondContact O-N 2.91Å
443A86.4Confident89.5Confident8 Ų827.6 Ų27.67%0.06614%0.136CC..Hα-helixtrans-76.7-36.3-178.100000112.4C243 M247 P440 S441 P446C243-A443 HydrophobicContact CB-CB 3.82Å; M247-A443 HydrophobicContact CE-CB 3.94Å; M247-A443 HydrophobicContact CG-CB 4.17Å; P440-A443 PolarHBondContact O-N 3.09Å; S441-A443 VanDerWaalsContact C-N 3.32Å; S441-A443 PolarHBondContact O-N 3.15Å; A443-P446 WeakPolarHBondContact O-CD 3.44Å
444I88.5Confident89.6Confident0 Ų027.6 Ų27.60%014%0.136CC..Hα-helixtrans-88.8-20.2-175.9-161.7166000113.5L213 I239 S441 P446 V447 F448 L471L213-I444 HydrophobicContact CD2-CB 4.31Å; L213-I444 HydrophobicContact CD2-CD1 4.46Å; L213-I444 HydrophobicContact CD2-CG1 4.07Å; I239-I444 HydrophobicContact CD1-CD1 3.65Å; I239-I444 HydrophobicContact CG1-CD1 4.33Å; S441-I444 PolarHBondContact O-N 2.97Å; I444-P446 VanDerWaalsContact C-CD 3.48Å; I444-V447 HydrophobicContact CG1-CB 4.29Å; I444-V447 WeakPolarHBondContact O-CA 3.32Å; I444-V447 VanDerWaalsContact O-CB 3.23Å; I444-V447 WeakPolarHBondContact O-CB 3.44Å; I444-V447 PolarHBondContact O-N 3.42Å; I444-F448 HydrophobicContact CB-CD2 4.46Å; I444-F448 HydrophobicContact CB-CE2 4.13Å; I444-F448 HydrophobicContact CD1-CE1 4.39Å; I444-F448 HydrophobicContact CD1-CE2 3.62Å; I444-F448 HydrophobicContact CD1-CZ 3.54Å; I444-F448 HydrophobicContact CG1-CD2 3.97Å; I444-F448 HydrophobicContact CG1-CE2 3.54Å; I444-F448 HydrophobicContact CG1-CZ 3.87Å; I444-F448 HydrophobicContact CG2-CD2 3.99Å; I444-F448 HydrophobicContact CG2-CE2 3.57Å; I444-F448 PolarHBondContact O-N 2.86Å; I444-F448 VanDerWaalsContact O-N 3.16Å; I444-L471 HydrophobicContact CD1-CD1 4.34Å; I444-L471 HydrophobicContact CG2-CB 4.38Å; I444-L471 HydrophobicContact CG2-CD2 4.23Å
445K88.4Confident89.7Confident110 Ų11026.5 Ų26.548%0.47813%0.13SC..Hα-helixtrans-51.9-43.4-179.2178.6171.7-172165.10114.4S441 V447 F448 Q449S441-K445 WeakPolarHBondContact O-CB 3.26Å; S441-K445 PolarHBondContact O-N 2.89Å; K445-V447 PolarHBondContact O-N 2.66Å; K445-F448 PolarHBondContact O-N 3Å; K445-Q449 HydrophobicContact CG-CG 4.44Å; K445-Q449 WeakPolarHBondContact O-CB 3.4Å; K445-Q449 WeakPolarHBondContact O-CG 3.34Å; K445-Q449 PolarHBondContact O-N 2.98Å
446P85.9Confident89.8Confident78 Ų7826.5 Ų26.551%0.50613%0.13SC..Hα-helixtrans-61.7-32.5174.9-22.834.5000113.1A443 I444 R450A443-P446 WeakPolarHBondContact O-CD 3.44Å; I444-P446 VanDerWaalsContact C-CD 3.48Å; P446-R450 WeakPolarHBondContact O-CB 3.48Å; P446-R450 PolarHBondContact O-N 2.94Å
447V88.2Confident89.8Confident6 Ų626.2 Ų26.24%0.03613%0.129CC..Hα-helixtrans-66.6-50.5177.9-175.80000109.7L212 L213 F233 I444 K445 Q449 R450 F451 V454L212-V447 HydrophobicContact CD2-CG1 4.16Å; L212-V447 HydrophobicContact CG-CG1 4.44Å; L212-V447 HydrophobicContact CG-CG2 4.14Å; L213-V447 HydrophobicContact CD2-CG2 4.13Å; F233-V447 HydrophobicContact CE2-CG1 4.31Å; F233-V447 HydrophobicContact CZ-CG1 4.34Å; I444-V447 HydrophobicContact CG1-CB 4.29Å; I444-V447 WeakPolarHBondContact O-CA 3.32Å; I444-V447 VanDerWaalsContact O-CB 3.23Å; I444-V447 WeakPolarHBondContact O-CB 3.44Å; I444-V447 PolarHBondContact O-N 3.42Å; K445-V447 PolarHBondContact O-N 2.66Å; V447-Q449 VanDerWaalsContact C-N 3.32Å; V447-Q449 PolarHBondContact O-N 2.97Å; V447-R450 PolarHBondContact O-N 3.11Å; V447-F451 HydrophobicContact CB-CD2 4.34Å; V447-F451 HydrophobicContact CG1-CD2 3.61Å; V447-F451 HydrophobicContact CG1-CE2 3.95Å; V447-F451 VanDerWaalsContact O-CD2 3.24Å; V447-F451 WeakPolarHBondContact O-CD2 3.46Å; V447-F451 PolarHBondContact O-N 3.06Å; V447-F451 VanDerWaalsContact O-N 3.09Å; V447-V454 HydrophobicContact CG1-CG2 4.23Å
448F89.9Confident89.8Confident22 Ų2226.2 Ų26.210%0.09613%0.128CC..Hα-helixtrans-64.1-34.9177.9-66.4-51.7000113.3H37 I444 K445 V454 I456 L471 F473H37-F448 AromaticContact CD2-CD1 3.82Å; H37-F448 AromaticContact CE1-CD1 3.8Å; H37-F448 AromaticContact CG-CD1 3.9Å; H37-F448 AromaticContact ND1-CD1 3.86Å; H37-F448 AromaticContact NE2-CD1 3.75Å; I444-F448 HydrophobicContact CB-CD2 4.46Å; I444-F448 HydrophobicContact CB-CE2 4.13Å; I444-F448 HydrophobicContact CD1-CE1 4.39Å; I444-F448 HydrophobicContact CD1-CE2 3.62Å; I444-F448 HydrophobicContact CD1-CZ 3.54Å; I444-F448 HydrophobicContact CG1-CD2 3.97Å; I444-F448 HydrophobicContact CG1-CE2 3.54Å; I444-F448 HydrophobicContact CG1-CZ 3.87Å; I444-F448 HydrophobicContact CG2-CD2 3.99Å; I444-F448 HydrophobicContact CG2-CE2 3.57Å; I444-F448 PolarHBondContact O-N 2.86Å; I444-F448 VanDerWaalsContact O-N 3.16Å; K445-F448 PolarHBondContact O-N 3Å; F448-V454 HydrophobicContact CD1-CB 3.97Å; F448-V454 HydrophobicContact CD1-CG1 4.28Å; F448-V454 HydrophobicContact CD1-CG2 3.88Å; F448-V454 HydrophobicContact CE1-CB 3.89Å; F448-V454 HydrophobicContact CE1-CG1 3.82Å; F448-V454 HydrophobicContact CE1-CG2 4.27Å; F448-I456 HydrophobicContact CZ-CD1 4.39Å; F448-L471 HydrophobicContact CE2-CB 4.39Å; F448-F473 HydrophobicContact CD2-CB 4Å; F448-F473 HydrophobicContact CE1-CB 4.46Å; F448-F473 HydrophobicContact CE1-CD2 4.11Å; F448-F473 HydrophobicContact CE1-CG 4.15Å; F448-F473 HydrophobicContact CE2-CB 3.81Å; F448-F473 AromaticContact CE2-CD1 3.91Å; F448-F473 HydrophobicContact CE2-CD1 3.91Å; F448-F473 AromaticContact CE2-CG 3.88Å; F448-F473 HydrophobicContact CE2-CG 3.88Å; F448-F473 HydrophobicContact CG-CB 4.4Å; F448-F473 HydrophobicContact CZ-CB 4.07Å; F448-F473 AromaticContact CZ-CD1 3.77Å; F448-F473 HydrophobicContact CZ-CD1 3.77Å; F448-F473 HydrophobicContact CZ-CD2 4.04Å; F448-F473 HydrophobicContact CZ-CE1 4.18Å; F448-F473 HydrophobicContact CZ-CE2 4.42Å; F448-F473 AromaticContact CZ-CG 3.68Å; F448-F473 HydrophobicContact CZ-CG 3.68Å; F448-F473 HydrophobicContact CZ-CZ 4.49Å
449Q87.3Confident89.5Confident148 Ų14826 Ų2669%0.69213%0.127SC*.Hα-helixtrans-74.1-30178.2-72.8-177.8-15.600113.5K445 V447K445-Q449 HydrophobicContact CG-CG 4.44Å; K445-Q449 WeakPolarHBondContact O-CB 3.4Å; K445-Q449 WeakPolarHBondContact O-CG 3.34Å; K445-Q449 PolarHBondContact O-N 2.98Å; V447-Q449 VanDerWaalsContact C-N 3.32Å; V447-Q449 PolarHBondContact O-N 2.97Å
450R86.3Confident89.3Confident69 Ų6925.4 Ų25.426%0.2612%0.124SC..Hα-helixtrans-88.3-43.6-173.2-178.6-179.7-178.2141.615.3113.2S222 K223 L225 P446 V447S222-R450 VanDerWaalsContact C-CZ 3.45Å; S222-R450 PolarHBondContact O-NH1 3.08Å; S222-R450 PolarHBondContact O-NH2 2.68Å; S222-R450 PolarHBondContact OG-NH1 3.06Å; K223-R450 VanDerWaalsContact C-NH2 3.29Å; K223-R450 VanDerWaalsContact CA-NH1 3.33Å; K223-R450 PolarHBondContact O-NH2 3.26Å; L225-R450 PolarHBondContact O-NH2 3.01Å; P446-R450 WeakPolarHBondContact O-CB 3.48Å; P446-R450 PolarHBondContact O-N 2.94Å; V447-R450 PolarHBondContact O-N 3.11Å
451F89.9Confident88.9Confident7 Ų725.4 Ų25.43%0.03112%0.124CC..SBendtrans-94.6143.4-171.2-62.1-69000111.4I71 L212 L225 V231 V447 V454I71-F451 HydrophobicContact CD1-CD1 4.14Å; I71-F451 HydrophobicContact CD1-CE1 3.49Å; I71-F451 VanDerWaalsContact CD1-CE1 3.49Å; I71-F451 HydrophobicContact CD1-CZ 3.94Å; L212-F451 HydrophobicContact CD1-CE2 3.83Å; L212-F451 HydrophobicContact CD1-CZ 4.04Å; L225-F451 HydrophobicContact CB-CE1 4.32Å; L225-F451 HydrophobicContact CD1-CZ 4.43Å; V231-F451 HydrophobicContact CG2-CB 3.94Å; V231-F451 HydrophobicContact CG2-CD1 3.81Å; V231-F451 HydrophobicContact CG2-CD2 3.54Å; V231-F451 HydrophobicContact CG2-CE1 4.16Å; V231-F451 HydrophobicContact CG2-CE2 3.94Å; V231-F451 HydrophobicContact CG2-CG 3.47Å; V231-F451 VanDerWaalsContact CG2-CG 3.47Å; V231-F451 HydrophobicContact CG2-CZ 4.22Å; V447-F451 HydrophobicContact CB-CD2 4.34Å; V447-F451 HydrophobicContact CG1-CD2 3.61Å; V447-F451 HydrophobicContact CG1-CE2 3.95Å; V447-F451 VanDerWaalsContact O-CD2 3.24Å; V447-F451 WeakPolarHBondContact O-CD2 3.46Å; V447-F451 PolarHBondContact O-N 3.06Å; V447-F451 VanDerWaalsContact O-N 3.09Å; F451-V454 HydrophobicContact CB-CG2 4.19Å
452Q88.8Confident88.6Confident38 Ų3825.4 Ų25.418%0.17812%0.124CC..SBendtrans-62.7-49.2-177178.1174.9-25.600112.5K35 D66 K227K35-Q452 HydrophobicContact CB-CG 3.96Å; K35-Q452 HydrophobicContact CG-CG 4.37Å; D66-Q452 PolarHBondContact O-OE1 3.11Å; D66-Q452 VanDerWaalsContact O-OE1 3.09Å; K227-Q452 PolarHBondContact O-N 3.3Å
453S92.6Very high88.5Confident0 Ų025.5 Ų25.50%013%0.127CC..EExtended strand (participates in β ladder)trans-137.4140.2176.356.20000110.1G36 V230 V231G36-S453 WeakPolarHBondContact O-CB 3.4Å; V230-S453 WeakPolarHBondContact CG2-OG 3.43Å; V231-S453 PolarHBondContact N-O 2.9Å
454V94.4Very high88.6Confident0 Ų025.6 Ų25.60%013%0.127CC..EExtended strand (participates in β ladder)trans-127.3116.9178.6-178.20000106.1H37 G38 V231 F233 V447 F448 F451H37-V454 CarbonylContact C-O 3.6Å; H37-V454 VanDerWaalsContact CA-O 3.27Å; H37-V454 WeakPolarHBondContact CA-O 3.32Å; H37-V454 WeakPolarHBondContact CB-O 3.32Å; H37-V454 PolarHBondContact ND1-N 3.09Å; G38-V454 PolarHBondContact N-O 3.21Å; V231-V454 HydrophobicContact CB-CG1 4.38Å; V231-V454 HydrophobicContact CB-CG2 4.26Å; V231-V454 HydrophobicContact CG1-CG1 4.42Å; V231-V454 CarbonylContact O-C 3.59Å; V231-V454 WeakPolarHBondContact O-CA 3.48Å; F233-V454 HydrophobicContact CD2-CG1 3.75Å; F233-V454 HydrophobicContact CE2-CG1 3.67Å; V447-V454 HydrophobicContact CG1-CG2 4.23Å; F448-V454 HydrophobicContact CD1-CB 3.97Å; F448-V454 HydrophobicContact CD1-CG1 4.28Å; F448-V454 HydrophobicContact CD1-CG2 3.88Å; F448-V454 HydrophobicContact CE1-CB 3.89Å; F448-V454 HydrophobicContact CE1-CG1 3.82Å; F448-V454 HydrophobicContact CE1-CG2 4.27Å; F451-V454 HydrophobicContact CB-CG2 4.19Å
455V94.8Very high88.5Confident0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-105.6119.8179.9-1780000108.2L28 G38 L40 V231 V232 F233L28-V455 HydrophobicContact CD1-CB 4.44Å; L28-V455 HydrophobicContact CD1-CG1 3.73Å; L28-V455 HydrophobicContact CD1-CG2 4.05Å; G38-V455 WeakPolarHBondContact O-CA 3.1Å; L40-V455 HydrophobicContact CD1-CG1 3.99Å; L40-V455 HydrophobicContact CG-CG1 4.44Å; V231-V455 PolarHBondContact O-N 3.26Å; V232-V455 CarbonylContact C-O 3.5Å; V232-V455 WeakPolarHBondContact CA-O 3.3Å; V232-V455 HydrophobicContact CG2-CB 4.28Å; F233-V455 PolarHBondContact N-O 2.92Å
456I94.8Very high88.5Confident0 Ų024.8 Ų24.80%013%0.127CC..EExtended strand (participates in β ladder)trans-100.2115.7173.8-62.4179.1000107G38 V39 L40 F233 A236 I239 F448 L461 L471 F473G38-I456 PolarHBondContact O-N 3.42Å; V39-I456 WeakPolarHBondContact CA-O 3.29Å; V39-I456 HydrophobicContact CG1-CB 4.44Å; V39-I456 HydrophobicContact CG1-CG2 4.41Å; L40-I456 PolarHBondContact N-O 3.38Å; F233-I456 HydrophobicContact CD2-CG1 4.3Å; A236-I456 HydrophobicContact CB-CG2 3.6Å; I239-I456 HydrophobicContact CD1-CD1 4.44Å; F448-I456 HydrophobicContact CZ-CD1 4.39Å; I456-L461 HydrophobicContact CG2-CD1 4.19Å; I456-L471 HydrophobicContact CD1-CD1 4.05Å; I456-F473 HydrophobicContact CD1-CE1 4.34Å; I456-F473 HydrophobicContact CD1-CZ 3.93Å
457T92.2Very high88.7Confident1 Ų121.4 Ų21.41%0.00610%0.104CC..EExtended strand (participates in β ladder)trans-128.7138.8-178.6-176.30000111.2Y24 L40 L52 V232 F233 D234 E235 A236Y24-T457 PolarHBondContact OH-OG1 3.34Å; L40-T457 VanDerWaalsContact O-CA 3.32Å; L40-T457 WeakPolarHBondContact O-CA 3.42Å; L40-T457 PolarHBondContact O-OG1 3.42Å; L52-T457 HydrophobicContact CD1-CG2 4.39Å; V232-T457 HydrophobicContact CG1-CG2 4.12Å; F233-T457 WeakPolarHBondContact O-CG2 3.48Å; F233-T457 PolarHBondContact O-N 2.74Å; F233-T457 VanDerWaalsContact O-O 3.12Å; D234-T457 CarbonylContact C-O 3.54Å; D234-T457 HydrophobicContact CB-CG2 4.23Å; E235-T457 PolarHBondContact N-O 2.63Å; A236-T457 PolarHBondContact N-O 3.25Å
458S90.1Very high88.8Confident0 Ų022 Ų220%011%0.109CC..EExtended strand (participates in β ladder)trans-165.8162.5175.5150.30000112.2L40 M42 K48 T460 L461L40-S458 PolarHBondContact O-N 3.41Å; M42-S458 PolarHBondContact N-O 3.28Å; K48-S458 PolarHBondContact NZ-O 3.4Å; S458-T460 VanDerWaalsContact C-N 3.28Å; S458-T460 PolarHBondContact OG-N 3.3Å; S458-L461 VanDerWaalsContact CB-CG 3.47Å
459G85.1Confident88.8Confident0 Ų028 Ų280%013%0.13CC..SBendtrans-65.2-27.5-178.700000115.1M42 W696M42-G459 WeakPolarHBondContact O-CA 3.38Å; G459-W696 PolarHBondContact O-NE1 3.32Å; G459-W696 VanDerWaalsContact O-NE1 3.09Å
460T84.3Confident89Confident5 Ų521.1 Ų21.13%0.03110%0.099CC..  trans-143.430.2-155.254.90000111.9S458 S462 A661 P694S458-T460 VanDerWaalsContact C-N 3.28Å; S458-T460 PolarHBondContact OG-N 3.3Å; T460-S462 VanDerWaalsContact C-N 3.27Å; T460-S462 PolarHBondContact O-N 3.18Å; T460-A661 HydrophobicContact CG2-CB 4.24Å; T460-P694 HydrophobicContact CG2-CG 4.24Å
461L83Confident89.2Confident0 Ų018 Ų180%09%0.087CC..  trans-76.875.1176.4-61174.8000110.3V39 E41 H237 I456 S458 L464 Y467V39-L461 HydrophobicContact CG1-CD1 4.01Å; E41-L461 HydrophobicContact CB-CB 4.22Å; E41-L461 HydrophobicContact CG-CB 4.35Å; H237-L461 HydrophobicContact CB-CD2 4.32Å; I456-L461 HydrophobicContact CG2-CD1 4.19Å; S458-L461 VanDerWaalsContact CB-CG 3.47Å; L461-L464 HydrophobicContact CB-CD2 3.84Å; L461-L464 WeakPolarHBondContact O-CD2 3.18Å; L461-Y467 HydrophobicContact CB-CE2 4.09Å; L461-Y467 HydrophobicContact CD2-CD2 4.49Å; L461-Y467 HydrophobicContact CD2-CE1 3.99Å; L461-Y467 HydrophobicContact CD2-CE2 3.7Å; L461-Y467 VanDerWaalsContact CD2-CZ 3.41Å; L461-Y467 WeakPolarHBondContact CD2-OH 3.37Å; L461-Y467 HydrophobicContact CG-CE2 4.48Å
462S81.9Confident89.2Confident11 Ų1123 Ų238%0.07711%0.114CC..  trans-128.8131.9177.6-175.80000112.3T460 F654 K692 L693T460-S462 VanDerWaalsContact C-N 3.27Å; T460-S462 PolarHBondContact O-N 3.18Å; S462-F654 WeakPolarHBondContact O-CD2 3.33Å; S462-F654 WeakPolarHBondContact O-CE2 3.4Å; S462-K692 WeakPolarHBondContact CB-O 3.41Å; S462-K692 PolarHBondContact OG-O 2.77Å; S462-K692 VanDerWaalsContact OG-O 3.11Å; S462-L693 PolarHBondContact OG-O 3.42Å
463P86.3Confident89.3Confident33 Ų3322 Ų2221%0.21411%0.109CC..SBendcis-79.6148.7-10.732-29.2000112.2D465 I466 F654P463-D465 VanDerWaalsContact C-N 3.35Å; P463-D465 PolarHBondContact O-N 2.89Å; P463-I466 HydrophobicContact CG-CD1 3.64Å; P463-I466 HydrophobicContact CG-CG1 4.02Å; P463-F654 VanDerWaalsContact CD-CD2 3.45Å
464L87.3Confident89.2Confident10 Ų1033.2 Ų33.25%0.05215%0.152CC..THydrogen-bonded Turntrans-64.2-33.9-177.2-73.5170.9000113.6V39 E41 L461 I466 Y467 P468V39-L464 HydrophobicContact CB-CD2 4.48Å; V39-L464 HydrophobicContact CG1-CD2 3.59Å; E41-L464 HydrophobicContact CB-CD1 4.34Å; E41-L464 HydrophobicContact CB-CD2 4.07Å; E41-L464 HydrophobicContact CB-CG 4.49Å; L461-L464 HydrophobicContact CB-CD2 3.84Å; L461-L464 WeakPolarHBondContact O-CD2 3.18Å; L464-I466 PolarHBondContact O-N 3.21Å; L464-Y467 PolarHBondContact O-N 3Å; L464-P468 WeakPolarHBondContact O-CD 3.44Å
465D87.3Confident89.1Confident72 Ų7234.5 Ų34.539%0.38516%0.16SC..THydrogen-bonded Turntrans-61.3-21.5-174.6-55.9-32.4000114.8P463 R469P463-D465 VanDerWaalsContact C-N 3.35Å; P463-D465 PolarHBondContact O-N 2.89Å; D465-R469 WeakPolarHBondContact O-CG 3.49Å
466I88.5Confident89Confident21 Ų2138.4 Ų38.411%0.10818%0.183CC..Hα-helixtrans-75.9-35.1-177.1-70.5179.4000111.1P463 L464 R469 I470 F654P463-I466 HydrophobicContact CG-CD1 3.64Å; P463-I466 HydrophobicContact CG-CG1 4.02Å; L464-I466 PolarHBondContact O-N 3.21Å; I466-R469 PolarHBondContact O-N 2.76Å; I466-I470 HydrophobicContact CG2-CD1 3.32Å; I466-I470 HydrophobicContact CG2-CG1 3.92Å; I466-I470 WeakPolarHBondContact O-CG1 3.48Å; I466-I470 PolarHBondContact O-N 3.2Å; I466-F654 HydrophobicContact CB-CZ 4.43Å; I466-F654 HydrophobicContact CD1-CB 3.82Å; I466-F654 HydrophobicContact CD1-CD1 4.17Å; I466-F654 HydrophobicContact CD1-CD2 3.77Å; I466-F654 HydrophobicContact CD1-CE2 4.3Å; I466-F654 HydrophobicContact CD1-CG 3.64Å; I466-F654 HydrophobicContact CG2-CD1 4.05Å; I466-F654 HydrophobicContact CG2-CE1 3.79Å; I466-F654 HydrophobicContact CG2-CE2 4.46Å; I466-F654 HydrophobicContact CG2-CG 4.49Å; I466-F654 HydrophobicContact CG2-CZ 3.99Å
467Y90.1Very high88.8Confident7 Ų738.8 Ų38.83%0.02719%0.186CC..Hα-helixtrans-64.2-48.1-175.2-72.7-85.8000113.2H237 I239 L461 L464 R469 I470 L471 F654H237-Y467 PolarHBondContact O-OH 3.13Å; H237-Y467 VanDerWaalsContact O-OH 3.1Å; I239-Y467 HydrophobicContact CG2-CD1 4.48Å; I239-Y467 HydrophobicContact CG2-CE1 4.45Å; L461-Y467 HydrophobicContact CB-CE2 4.09Å; L461-Y467 HydrophobicContact CD2-CD2 4.49Å; L461-Y467 HydrophobicContact CD2-CE1 3.99Å; L461-Y467 HydrophobicContact CD2-CE2 3.7Å; L461-Y467 VanDerWaalsContact CD2-CZ 3.41Å; L461-Y467 WeakPolarHBondContact CD2-OH 3.37Å; L461-Y467 HydrophobicContact CG-CE2 4.48Å; L464-Y467 PolarHBondContact O-N 3Å; Y467-R469 VanDerWaalsContact C-N 3.26Å; Y467-R469 PolarHBondContact O-N 3Å; Y467-I470 PolarHBondContact O-N 3.4Å; Y467-L471 WeakPolarHBondContact O-CB 2.93Å; Y467-L471 PolarHBondContact O-N 3.12Å; Y467-F654 HydrophobicContact CE2-CE2 4.16Å; Y467-F654 AromaticContact CE2-CZ 3.88Å; Y467-F654 HydrophobicContact CE2-CZ 3.88Å; Y467-F654 AromaticContact CZ-CZ 3.86Å
468P90.8Very high88.8Confident19 Ų1940.6 Ų40.612%0.12320%0.195CC..Hα-helixtrans-58.2-37.5174.9-25.635.1000113.3L464 D472 F473 P475 M478L464-P468 WeakPolarHBondContact O-CD 3.44Å; P468-D472 WeakPolarHBondContact O-CA 3.41Å; P468-D472 PolarHBondContact O-N 3.09Å; P468-D472 VanDerWaalsContact O-N 3.13Å; P468-F473 HydrophobicContact CB-CE1 4.44Å; P468-F473 WeakPolarHBondContact CB-O 3.37Å; P468-F473 HydrophobicContact CG-CZ 4.47Å; P468-F473 PolarHBondContact O-N 3.14Å; P468-P475 HydrophobicContact CG-CG 3.95Å; P468-M478 HydrophobicContact CG-SD 3.65Å
469R89.9Confident88.8Confident146 Ų14640.6 Ų40.655%0.55120%0.195SC*.Hα-helixtrans-69.7-42.7179.8-65.3-178.2-168.4-1684.4112.3D465 I466 Y467 F644 I646D465-R469 WeakPolarHBondContact O-CG 3.49Å; I466-R469 PolarHBondContact O-N 2.76Å; Y467-R469 VanDerWaalsContact C-N 3.26Å; Y467-R469 PolarHBondContact O-N 3Å; R469-F644 WeakPolarHBondContact O-CD1 3.26Å; R469-F644 VanDerWaalsContact O-CE1 3.28Å; R469-F644 WeakPolarHBondContact O-CE1 2.69Å; R469-I646 HydrophobicContact CB-CD1 4.48Å
470I90.7Very high89Confident5 Ų540.7 Ų40.73%0.02620%0.195CC..Hα-helixtrans-74.6-39.1-177.8-70.4-178.2000111.8D240 P440 I466 Y467 I646 F651D240-I470 HydrophobicContact CB-CG2 4.32Å; P440-I470 HydrophobicContact CG-CG2 3.34Å; I466-I470 HydrophobicContact CG2-CD1 3.32Å; I466-I470 HydrophobicContact CG2-CG1 3.92Å; I466-I470 WeakPolarHBondContact O-CG1 3.48Å; I466-I470 PolarHBondContact O-N 3.2Å; Y467-I470 PolarHBondContact O-N 3.4Å; I470-I646 HydrophobicContact CD1-CD1 4.39Å; I470-I646 HydrophobicContact CG1-CD1 3.83Å; I470-F651 HydrophobicContact CD1-CD2 4.21Å; I470-F651 HydrophobicContact CD1-CE2 3.94Å
471L90.3Very high89.2Confident2 Ų240.6 Ų40.61%0.0119%0.194CC..Hα-helixtrans-92.70.6-174.9-60.2175.1000113.3I239 P440 I444 F448 I456 Y467 F473I239-L471 HydrophobicContact CG2-CD1 3.78Å; I239-L471 HydrophobicContact CG2-CD2 4.32Å; P440-L471 HydrophobicContact CB-CD2 4.13Å; P440-L471 HydrophobicContact CG-CD2 4.25Å; I444-L471 HydrophobicContact CD1-CD1 4.34Å; I444-L471 HydrophobicContact CG2-CB 4.38Å; I444-L471 HydrophobicContact CG2-CD2 4.23Å; F448-L471 HydrophobicContact CE2-CB 4.39Å; I456-L471 HydrophobicContact CD1-CD1 4.05Å; Y467-L471 WeakPolarHBondContact O-CB 2.93Å; Y467-L471 PolarHBondContact O-N 3.12Å; L471-F473 HydrophobicContact CB-CD1 3.59Å; L471-F473 HydrophobicContact CB-CE1 3.76Å; L471-F473 HydrophobicContact CD1-CE1 3.93Å; L471-F473 HydrophobicContact CG-CE1 4.41Å; L471-F473 PolarHBondContact O-N 3.25Å
472D89.9Confident89.3Confident114 Ų11441.2 Ų41.261%0.6120%0.198SC*.THydrogen-bonded Turntrans50.754.2179.7-166.930.6000113.6P468P468-D472 WeakPolarHBondContact O-CA 3.41Å; P468-D472 PolarHBondContact O-N 3.09Å; P468-D472 VanDerWaalsContact O-N 3.13Å
473F91Very high89.2Confident17 Ų1741.2 Ų41.28%0.07520%0.197CC..  trans-136.7158.6175.578.4-72.9000111.7H37 V39 F448 I456 P468 L471 P475H37-F473 HydrophobicContact CB-CD2 4.04Å; H37-F473 HydrophobicContact CB-CE2 4.26Å; V39-F473 HydrophobicContact CG2-CE2 3.83Å; V39-F473 HydrophobicContact CG2-CZ 3.49Å; V39-F473 VanDerWaalsContact CG2-CZ 3.49Å; F448-F473 HydrophobicContact CD2-CB 4Å; F448-F473 HydrophobicContact CE1-CB 4.46Å; F448-F473 HydrophobicContact CE1-CD2 4.11Å; F448-F473 HydrophobicContact CE1-CG 4.15Å; F448-F473 HydrophobicContact CE2-CB 3.81Å; F448-F473 AromaticContact CE2-CD1 3.91Å; F448-F473 HydrophobicContact CE2-CD1 3.91Å; F448-F473 AromaticContact CE2-CG 3.88Å; F448-F473 HydrophobicContact CE2-CG 3.88Å; F448-F473 HydrophobicContact CG-CB 4.4Å; F448-F473 HydrophobicContact CZ-CB 4.07Å; F448-F473 AromaticContact CZ-CD1 3.77Å; F448-F473 HydrophobicContact CZ-CD1 3.77Å; F448-F473 HydrophobicContact CZ-CD2 4.04Å; F448-F473 HydrophobicContact CZ-CE1 4.18Å; F448-F473 HydrophobicContact CZ-CE2 4.42Å; F448-F473 AromaticContact CZ-CG 3.68Å; F448-F473 HydrophobicContact CZ-CG 3.68Å; F448-F473 HydrophobicContact CZ-CZ 4.49Å; I456-F473 HydrophobicContact CD1-CE1 4.34Å; I456-F473 HydrophobicContact CD1-CZ 3.93Å; P468-F473 HydrophobicContact CB-CE1 4.44Å; P468-F473 WeakPolarHBondContact CB-O 3.37Å; P468-F473 HydrophobicContact CG-CZ 4.47Å; P468-F473 PolarHBondContact O-N 3.14Å; L471-F473 HydrophobicContact CB-CD1 3.59Å; L471-F473 HydrophobicContact CB-CE1 3.76Å; L471-F473 HydrophobicContact CD1-CE1 3.93Å; L471-F473 HydrophobicContact CG-CE1 4.41Å; L471-F473 PolarHBondContact O-N 3.25Å; F473-P475 HydrophobicContact CD2-CB 4.47Å; F473-P475 HydrophobicContact CE2-CB 3.93Å; F473-P475 HydrophobicContact CE2-CG 4.2Å
474R90.6Very high89.1Confident235 Ų23541.5 Ų41.589%0.88720%0.198SC*.  trans-112.2104.5177.4-66.3-175.9-178-179.20.1109.5
475P92.7Very high88.8Confident27 Ų2742.5 Ų42.518%0.17520%0.204CC..  trans-72150.4173.929-33.3000111.3H37 V39 P468 F473 M478H37-P475 CarbonylContact O-C 3.54Å; H37-P475 VanDerWaalsContact O-CA 3.32Å; H37-P475 WeakPolarHBondContact O-CA 3.24Å; V39-P475 HydrophobicContact CG2-CB 4.17Å; V39-P475 HydrophobicContact CG2-CG 4.36Å; P468-P475 HydrophobicContact CG-CG 3.95Å; F473-P475 HydrophobicContact CD2-CB 4.47Å; F473-P475 HydrophobicContact CE2-CB 3.93Å; F473-P475 HydrophobicContact CE2-CG 4.2Å; P475-M478 HydrophobicContact CB-CG 3.99Å; P475-M478 HydrophobicContact CG-CE 4.43Å; P475-M478 HydrophobicContact CG-CG 3.36Å; P475-M478 HydrophobicContact CG-SD 3.5Å; P475-M478 VanDerWaalsContact CG-SD 3.5Å
476V92.9Very high88.5Confident81 Ų8140.8 Ų40.849%0.49120%0.199SC..SBendtrans-78.6-40.6169.3174.60000110.3A34 H37A34-V476 HydrophobicContact CB-CG1 3.84Å; A34-V476 HydrophobicContact CB-CG2 4.43Å; H37-V476 PolarHBondContact O-N 3.01Å
477T90Very high88.2Confident8 Ų841.8 Ų41.85%0.04920%0.202CC..EExtended strand (participates in β ladder)trans-121.8133.5176.567.90000110.4R30 T31 V39R30-T477 HydrophobicContact CB-CG2 4.42Å; T31-T477 HydrophobicContact CG2-CG2 3.5Å; T31-T477 VanDerWaalsContact CG2-CG2 3.5Å; T31-T477 WeakPolarHBondContact CG2-OG1 3.41Å; V39-T477 PolarHBondContact N-O 3.38Å
478M92.3Very high87.9Confident40 Ų4044.6 Ų44.620%0.19722%0.22CC..EExtended strand (participates in β ladder)trans-124.5105.2163.2-66.3-176.3-62.300107.3V39 P468 P475 Q759 T760V39-M478 HydrophobicContact CB-CG 4.46Å; V39-M478 WeakPolarHBondContact O-CA 3.31Å; P468-M478 HydrophobicContact CG-SD 3.65Å; P475-M478 HydrophobicContact CB-CG 3.99Å; P475-M478 HydrophobicContact CG-CE 4.43Å; P475-M478 HydrophobicContact CG-CG 3.36Å; P475-M478 HydrophobicContact CG-SD 3.5Å; P475-M478 VanDerWaalsContact CG-SD 3.5Å; M478-Q759 WeakPolarHBondContact O-CA 3.45Å; M478-T760 WeakPolarHBondContact CE-OXT 3.36Å; M478-T760 PolarHBondContact O-N 3.08Å
479A89.9Confident87.6Confident0 Ų044 Ų440%022%0.216CC..EExtended strand (participates in β ladder)trans-124.3137-175.800000110.7E27 V39 L40 E41 F481E27-A479 HydrophobicContact CG-CB 4.18Å; V39-A479 PolarHBondContact O-N 2.99Å; V39-A479 VanDerWaalsContact O-N 3.1Å; L40-A479 HydrophobicContact CD2-CB 3.83Å; E41-A479 PolarHBondContact N-O 3.08Å; A479-F481 HydrophobicContact CB-CE1 4.37Å; A479-F481 HydrophobicContact CB-CE2 4.1Å; A479-F481 HydrophobicContact CB-CZ 3.78Å
480S89.4Confident87.5Confident2 Ų237.2 Ų37.21%0.01419%0.19CC..EExtended strand (participates in β ladder)trans-116.1127.1168.8-177.60000108.6E41 H758E41-S480 WeakPolarHBondContact OE2-CB 3.48Å; E41-S480 PolarHBondContact OE2-OG 3.08Å; S480-H758 PolarHBondContact N-O 3.14Å; S480-H758 PolarHBondContact O-N 3.24Å
481F88.6Confident87.5Confident2 Ų238 Ų381%0.00920%0.196CC..EExtended strand (participates in β ladder)trans-101.5130.6-179.8-56.9-74.1000110.7Y24 E27 L40 E41 M42 P43 A479 A757Y24-F481 AromaticContact CD2-CD2 3.89Å; Y24-F481 HydrophobicContact CD2-CD2 3.89Å; Y24-F481 AromaticContact CD2-CE2 3.47Å; Y24-F481 HydrophobicContact CD2-CE2 3.47Å; Y24-F481 VanDerWaalsContact CD2-CE2 3.47Å; Y24-F481 HydrophobicContact CD2-CZ 4.22Å; Y24-F481 HydrophobicContact CE2-CE2 4.3Å; Y24-F481 HydrophobicContact CG-CE2 4.25Å; E27-F481 HydrophobicContact CB-CZ 3.96Å; E27-F481 HydrophobicContact CG-CE1 4.08Å; E27-F481 HydrophobicContact CG-CZ 3.86Å; L40-F481 HydrophobicContact CB-CE2 4.38Å; L40-F481 HydrophobicContact CD2-CE2 4.32Å; L40-F481 HydrophobicContact CD2-CZ 4.48Å; E41-F481 WeakPolarHBondContact O-CD2 3.12Å; E41-F481 PolarHBondContact O-N 3.19Å; M42-F481 HydrophobicContact CB-CD2 4.18Å; M42-F481 HydrophobicContact SD-CB 3.77Å; M42-F481 HydrophobicContact SD-CD2 3.78Å; M42-F481 HydrophobicContact SD-CG 3.92Å; P43-F481 WeakPolarHBondContact CD-O 3.42Å; P43-F481 VanDerWaalsContact CG-O 3.27Å; P43-F481 WeakPolarHBondContact CG-O 3.31Å; A479-F481 HydrophobicContact CB-CE1 4.37Å; A479-F481 HydrophobicContact CB-CE2 4.1Å; A479-F481 HydrophobicContact CB-CZ 3.78Å; F481-A757 HydrophobicContact CD1-CB 4.24Å; F481-A757 HydrophobicContact CE1-CB 3.88Å
482T84.5Confident87.6Confident14 Ų1437.9 Ų37.99%0.08620%0.196CC..  trans-85.4141.8176.958.80000110.1E20 T484 E699E20-T482 WeakPolarHBondContact CG-O 3.25Å; T482-T484 PolarHBondContact O-N 3.29Å; T482-E699 WeakPolarHBondContact CG2-OE1 3.48Å
483M81.1Confident87.8Confident10 Ų1032.5 Ų32.55%0.04917%0.167CC..  trans-82.8110.6-179.9-168.816454.100110.5P43 T46 L485 L490 W696P43-M483 HydrophobicContact CB-CB 4.19Å; P43-M483 HydrophobicContact CB-SD 4.28Å; P43-M483 HydrophobicContact CG-CB 3.98Å; T46-M483 HydrophobicContact CG2-CG 4.44Å; T46-M483 HydrophobicContact CG2-SD 4.34Å; M483-L485 HydrophobicContact CE-CD1 4.06Å; M483-L485 HydrophobicContact CE-CD2 3.96Å; M483-L485 HydrophobicContact CE-CG 4.28Å; M483-L485 HydrophobicContact CG-CD2 3.68Å; M483-L485 HydrophobicContact CG-CG 4.03Å; M483-L485 PolarHBondContact O-N 3.05Å; M483-L485 HydrophobicContact SD-CD2 3.89Å; M483-L490 HydrophobicContact CE-CD2 3.2Å; M483-W696 HydrophobicContact CB-CB 4.09Å; M483-W696 HydrophobicContact CE-CE3 3.97Å; M483-W696 HydrophobicContact CE-CZ3 4.38Å
484T82.9Confident88Confident39 Ų3931.7 Ų31.724%0.23916%0.163CC..  trans-83.4116.6175-61.10000109.9E20 T482 K671 S737 M756E20-T484 WeakPolarHBondContact OE1-CA 3.47Å; E20-T484 WeakPolarHBondContact OE1-CB 3.28Å; E20-T484 PolarHBondContact OE1-N 2.68Å; T482-T484 PolarHBondContact O-N 3.29Å; T484-K671 PolarHBondContact O-NZ 3.46Å; T484-S737 WeakPolarHBondContact O-CB 3.32Å; T484-M756 WeakPolarHBondContact OG1-CE 3.42Å
485L81.2Confident88.2Confident32 Ų3220.5 Ų20.517%0.16812%0.121CC..  trans-117.2132.7-179.7-54.3170.2000110.2M483 R487 C489 L490 K671M483-L485 HydrophobicContact CE-CD1 4.06Å; M483-L485 HydrophobicContact CE-CD2 3.96Å; M483-L485 HydrophobicContact CE-CG 4.28Å; M483-L485 HydrophobicContact CG-CD2 3.68Å; M483-L485 HydrophobicContact CG-CG 4.03Å; M483-L485 PolarHBondContact O-N 3.05Å; M483-L485 HydrophobicContact SD-CD2 3.89Å; L485-R487 WeakPolarHBondContact CB-O 3.31Å; L485-R487 WeakPolarHBondContact CD1-O 3.29Å; L485-R487 PolarHBondContact O-N 3.02Å; L485-C489 HydrophobicContact CD1-CB 4.13Å; L485-C489 HydrophobicContact CD2-CB 4.28Å; L485-L490 HydrophobicContact CD1-CD2 4.34Å; L485-K671 HydrophobicContact CD2-CG 4.38Å
486A81Confident88.1Confident35 Ų3519.2 Ų19.229%0.28911%0.113SC..SBendtrans-69.8-16.4166.700000111.8F728 L736 S737A486-F728 HydrophobicContact CB-CZ 4.2Å; A486-L736 HydrophobicContact CB-CB 4.06Å; A486-L736 HydrophobicContact CB-CD1 4.1Å; A486-S737 WeakPolarHBondContact CB-OG 3.3Å
487R83.2Confident88.1Confident42 Ų4219.9 Ų19.916%0.15811%0.106CC..SBendtrans-144.2144-177.6-173.1-177.5-155.5-167.68110L485 C489 Q723 M724 F728L485-R487 WeakPolarHBondContact CB-O 3.31Å; L485-R487 WeakPolarHBondContact CD1-O 3.29Å; L485-R487 PolarHBondContact O-N 3.02Å; R487-C489 VanDerWaalsContact C-N 3.29Å; R487-C489 PolarHBondContact O-N 3.49Å; R487-C489 PolarHBondContact O-SG 3.4Å; R487-C489 VanDerWaalsContact O-SG 3.33Å; R487-Q723 PolarHBondContact NH2-O 3.38Å; R487-M724 VanDerWaalsContact CD-SD 3.56Å; R487-M724 HydrophobicContact CG-CE 3.79Å; R487-M724 HydrophobicContact CG-SD 3.77Å; R487-M724 VanDerWaalsContact CZ-CA 3.48Å; R487-M724 VanDerWaalsContact CZ-SD 3.57Å; R487-M724 PolarHBondContact NE-SD 3.26Å; R487-M724 PolarHBondContact NH1-O 2.75Å; R487-M724 VanDerWaalsContact NH2-CA 3.26Å; R487-F728 HydrophobicContact CB-CE2 4.16Å; R487-F728 HydrophobicContact CB-CZ 4.03Å
488T83.5Confident88.1Confident67 Ų6719.5 Ų19.541%0.41110%0.104SC..  trans-67.785.5174.453.90000110.9L490 F720T488-L490 PolarHBondContact O-N 3.31Å; T488-F720 VanDerWaalsContact O-CE2 3.23Å; T488-F720 WeakPolarHBondContact O-CE2 3.38Å
489C83.1Confident87.9Confident5 Ų520 Ų203%0.03411%0.107CC..  trans-73.1-16.3180-64.90000113L485 R487 K671 D673 Y674 G675L485-C489 HydrophobicContact CD1-CB 4.13Å; L485-C489 HydrophobicContact CD2-CB 4.28Å; R487-C489 VanDerWaalsContact C-N 3.29Å; R487-C489 PolarHBondContact O-N 3.49Å; R487-C489 PolarHBondContact O-SG 3.4Å; R487-C489 VanDerWaalsContact O-SG 3.33Å; C489-K671 PolarHBondContact SG-O 2.87Å; C489-D673 VanDerWaalsContact CB-O 3.26Å; C489-D673 WeakPolarHBondContact CB-O 3.4Å; C489-Y674 WeakPolarHBondContact O-CA 3.32Å; C489-Y674 WeakPolarHBondContact O-CB 3.4Å; C489-G675 PolarHBondContact O-N 3.35Å
490L88.9Confident87.8Confident4 Ų424.1 Ų24.12%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-127.3140.9-176.571.290.8000111M483 L485 T488 P492 I668 M677 W696 H700M483-L490 HydrophobicContact CE-CD2 3.2Å; L485-L490 HydrophobicContact CD1-CD2 4.34Å; T488-L490 PolarHBondContact O-N 3.31Å; L490-P492 HydrophobicContact CD1-CG 4.1Å; L490-I668 HydrophobicContact CB-CD1 3.39Å; L490-I668 HydrophobicContact CD2-CD1 4.07Å; L490-I668 HydrophobicContact CG-CD1 4.4Å; L490-M677 HydrophobicContact CB-CE 4.41Å; L490-M677 HydrophobicContact CB-SD 4.46Å; L490-W696 HydrophobicContact CD2-CE3 3.77Å; L490-W696 HydrophobicContact CD2-CZ3 3.85Å; L490-H700 HydrophobicContact CD1-CB 3.37Å; L490-H700 WeakPolarHBondContact CD1-CD2 3.4Å; L490-H700 HydrophobicContact CG-CB 4.32Å
491C90.6Very high87.8Confident22 Ų2229.2 Ų29.215%0.14915%0.153CC..EExtended strand (participates in β ladder)trans-134.494179.5-175.80000109.1G675 L676 M677 F720C491-G675 PolarHBondContact N-O 2.85Å; C491-L676 HydrophobicContact CB-CD1 3.91Å; C491-M677 PolarHBondContact O-N 2.86Å; C491-F720 HydrophobicContact CB-CD1 4.13Å; C491-F720 HydrophobicContact CB-CD2 3.57Å; C491-F720 HydrophobicContact CB-CE1 4.12Å; C491-F720 HydrophobicContact CB-CE2 3.53Å; C491-F720 HydrophobicContact CB-CG 3.86Å; C491-F720 HydrophobicContact CB-CZ 3.82Å
492P93.3Very high87.9Confident0 Ų031.6 Ų31.60%017%0.168CC..EExtended strand (participates in β ladder)trans-81.6118.1175.831.5-31.8000109.9L490 M677 F679 I697 H700 I701L490-P492 HydrophobicContact CD1-CG 4.1Å; P492-M677 CarbonylContact C-O 3.59Å; P492-M677 VanDerWaalsContact CA-O 3.26Å; P492-M677 WeakPolarHBondContact CA-O 2.91Å; P492-M677 HydrophobicContact CB-CB 4.38Å; P492-F679 HydrophobicContact CB-CE2 4.27Å; P492-I697 HydrophobicContact CB-CG2 3.97Å; P492-I697 HydrophobicContact CG-CG2 4.26Å; P492-H700 HydrophobicContact CG-CB 4.12Å; P492-H700 WeakPolarHBondContact CG-O 3.01Å; P492-I701 HydrophobicContact CB-CD1 4.46Å; P492-I701 HydrophobicContact CB-CG1 3.76Å; P492-I701 HydrophobicContact CG-CB 4.36Å; P492-I701 HydrophobicContact CG-CG1 3.43Å; P492-I701 VanDerWaalsContact CG-CG1 3.43Å
493L94Very high88.2Confident0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-113.9128.9179.4-59.7-176.1000109.5L676 M677 I678 F679 L708 A713 L716 S717L493-L676 HydrophobicContact CD1-CD1 3.77Å; L493-L676 HydrophobicContact CG-CD1 4.15Å; L493-M677 PolarHBondContact N-O 3.28Å; L493-I678 WeakPolarHBondContact O-CA 3.17Å; L493-F679 PolarHBondContact O-N 3.28Å; L493-L708 HydrophobicContact CB-CD1 4.14Å; L493-L708 HydrophobicContact CD2-CD1 3.86Å; L493-L708 HydrophobicContact CG-CD1 4.41Å; L493-A713 HydrophobicContact CD1-CB 4.31Å; L493-L716 HydrophobicContact CD1-CB 4.42Å; L493-L716 HydrophobicContact CD2-CB 4.47Å; L493-L716 HydrophobicContact CD2-CD1 4.17Å; L493-S717 WeakPolarHBondContact CD1-OG 3.14Å
494I94.7Very high88.6Confident0 Ų032.5 Ų32.50%018%0.178CC..EExtended strand (participates in β ladder)trans-102.2103.5174.1-62.5171.1000108.3G496 F679 A685 I701 S705 L706 N707 L708I494-G496 PolarHBondContact O-N 3.41Å; I494-F679 HydrophobicContact CG1-CB 4.22Å; I494-F679 HydrophobicContact CG1-CD2 4.39Å; I494-A685 HydrophobicContact CG2-CB 4.22Å; I494-I701 HydrophobicContact CD1-CG2 4.28Å; I494-S705 PolarHBondContact N-O 3.24Å; I494-S705 VanDerWaalsContact N-O 3.12Å; I494-L706 HydrophobicContact CD1-CD1 3.94Å; I494-L706 HydrophobicContact CD1-CG 4.49Å; I494-N707 CarbonylContact O-C 3.52Å; I494-N707 VanDerWaalsContact O-CA 3.32Å; I494-N707 WeakPolarHBondContact O-CA 3.33Å; I494-N707 PolarHBondContact O-N 2.99Å; I494-N707 VanDerWaalsContact O-N 3.08Å; I494-L708 PolarHBondContact O-N 3.26Å
495V94.1Very high89Confident0 Ų031.3 Ų31.30%017%0.171CC..BIsolated β-bridgetrans-91.1104.6178.6-171.70000108.3L504 L523 I678 F679 A680 D681 V710 A713V495-L504 HydrophobicContact CG1-CD1 3.91Å; V495-L523 HydrophobicContact CG1-CD1 4.48Å; V495-L523 HydrophobicContact CG1-CD2 4.44Å; V495-I678 HydrophobicContact CB-CG2 4.4Å; V495-I678 HydrophobicContact CG2-CG2 3.59Å; V495-F679 PolarHBondContact N-O 2.92Å; V495-A680 CarbonylContact O-C 3.52Å; V495-D681 PolarHBondContact O-N 3.19Å; V495-V710 HydrophobicContact CG1-CG2 3.98Å; V495-A713 HydrophobicContact CG2-CB 3.55Å
496G91.4Very high89.3Confident0 Ų029.8 Ų29.80%016%0.163CC..  trans-105.9-12.4-173.700000114.1I494 L504 L708I494-G496 PolarHBondContact O-N 3.41Å; G496-L504 PolarHBondContact O-N 3.08Å; G496-L708 PolarHBondContact N-O 3.49Å
497R92.3Very high89.5Confident96 Ų9633.2 Ų33.236%0.36217%0.172SC..BIsolated β-bridgetrans-135.8141.2-174.5-58.3-173.8-173-176.86.1111.1V502 N707 L708 T709 V710R497-V502 CarbonylContact C-O 3.42Å; R497-V502 WeakPolarHBondContact CA-O 3.31Å; R497-N707 PolarHBondContact NE-ND2 2.88Å; R497-N707 VanDerWaalsContact NE-ND2 3.14Å; R497-N707 PolarHBondContact NH2-ND2 2.67Å; R497-L708 PolarHBondContact N-O 3.34Å; R497-T709 HydrophobicContact CB-CG2 4.12Å; R497-T709 WeakPolarHBondContact O-CA 3.21Å; R497-V710 PolarHBondContact O-N 2.97Å
498G89.8Confident89.3Confident0 Ų038.5 Ų38.50%020%0.196CC..  trans-74.6172.5167.300000112D500 Q501 V502 N519G498-D500 PolarHBondContact O-N 3.25Å; G498-Q501 WeakPolarHBondContact O-CA 3.25Å; G498-Q501 PolarHBondContact O-N 3.48Å; G498-V502 PolarHBondContact N-O 3.36Å; G498-N519 WeakPolarHBondContact CA-OD1 3.46Å
499N87.9Confident89Confident49 Ų4943.2 Ų43.226%0.26221%0.214SC..THydrogen-bonded Turntrans-63.1-29.3174.8-73.1-11.2000111.7Q501 E526 V710 D711N499-Q501 PolarHBondContact O-N 3.29Å; N499-E526 PolarHBondContact ND2-OE1 3.09Å; N499-E526 VanDerWaalsContact ND2-OE1 3.17Å; N499-V710 WeakPolarHBondContact OD1-CB 3.35Å; N499-D711 PolarHBondContact ND2-OD1 3.16Å; N499-D711 VanDerWaalsContact OD1-CG 3.3Å; N499-D711 PolarHBondContact OD1-N 3.06Å; N499-D711 VanDerWaalsContact OD1-N 3.11Å; N499-D711 PolarHBondContact OD1-OD1 3.38Å
500D88.4Confident88.7Confident87 Ų8744.5 Ų44.547%0.46522%0.222SC..THydrogen-bonded Turntrans-78.310.7172.9-53.4-45.3000113.8G498 V502 R518G498-D500 PolarHBondContact O-N 3.25Å; D500-V502 HydrophobicContact CB-CG2 4.08Å; D500-V502 PolarHBondContact O-N 3.35Å; D500-R518 IonicContact OD2-CZ 3.89Å; D500-R518 IonicContact OD2-NE 3.89Å; D500-R518 IonicContact OD2-NH2 2.74Å; D500-R518 PolarHBondContact OD2-NH2 3.41Å
501Q88.5Confident88.3Confident109 Ų10947.3 Ų47.351%0.50923%0.232SC..  trans61.36.7-172.8-61-64.8-39.700115.7G498 N499 A503G498-Q501 WeakPolarHBondContact O-CA 3.25Å; G498-Q501 PolarHBondContact O-N 3.48Å; N499-Q501 PolarHBondContact O-N 3.29Å; Q501-A503 PolarHBondContact O-N 2.86Å
502V91.1Very high87.9Confident52 Ų5253.8 Ų53.832%0.31526%0.26SS..PPolyproline II helixtrans-64.6133.1173.3178.10000109.7R497 G498 D500 L504 V516R497-V502 CarbonylContact C-O 3.42Å; R497-V502 WeakPolarHBondContact CA-O 3.31Å; G498-V502 PolarHBondContact N-O 3.36Å; D500-V502 HydrophobicContact CB-CG2 4.08Å; D500-V502 PolarHBondContact O-N 3.35Å; V502-L504 PolarHBondContact O-N 2.89Å; V502-V516 HydrophobicContact CG1-CG2 4.33Å
503A90.4Very high87.7Confident44 Ų4457.4 Ų57.436%0.36428%0.279SS..BIsolated β-bridgetrans-69.9123.1178.400000111Q501 S505 K682Q501-A503 PolarHBondContact O-N 2.86Å; A503-S505 PolarHBondContact O-N 2.9Å; A503-K682 HydrophobicContact CB-CD 3.98Å
504L90.5Very high87.4Confident0 Ų064.4 Ų64.40%031%0.31CS..PPolyproline II helixtrans-76120.8175.2-70.7175.1000109.9V495 G496 V502 V516 N519 Y520 K682V495-L504 HydrophobicContact CG1-CD1 3.91Å; G496-L504 PolarHBondContact O-N 3.08Å; V502-L504 PolarHBondContact O-N 2.89Å; L504-V516 HydrophobicContact CD2-CG1 4.22Å; L504-N519 HydrophobicContact CD2-CB 3.58Å; L504-Y520 HydrophobicContact CB-CE1 4.21Å; L504-Y520 HydrophobicContact CD1-CE1 4.31Å; L504-Y520 HydrophobicContact CD2-CD1 3.94Å; L504-Y520 HydrophobicContact CD2-CE1 3.86Å; L504-Y520 HydrophobicContact CG-CE1 4.36Å; L504-K682 WeakPolarHBondContact O-CB 3.43Å; L504-K682 PolarHBondContact O-N 3.33Å
505S90.9Very high87.2Confident13 Ų1366.2 Ų66.29%0.09133%0.325CS..  trans-156.9134-178.3159.60000110.9A503 K507 T510A503-S505 PolarHBondContact O-N 2.9Å; S505-K507 WeakPolarHBondContact OG-CB 3.4Å; S505-K507 VanDerWaalsContact OG-CG 3.29Å; S505-K507 WeakPolarHBondContact OG-CG 3.38Å; S505-K507 PolarHBondContact OG-N 2.99Å; S505-K507 VanDerWaalsContact OG-N 3.14Å; S505-T510 PolarHBondContact O-OG1 2.84Å; S505-T510 PolarHBondContact OG-OG1 3.42Å
506S87.1Confident87Confident0 Ų066.3 Ų66.30%033%0.326CS..  trans-98.332.7170.856.10000112.6R511 G622 V623 D681 R683S506-R511 PolarHBondContact O-NE 2.96Å; S506-R511 PolarHBondContact O-NH2 3.23Å; S506-G622 WeakPolarHBondContact OG-CA 3.15Å; S506-V623 PolarHBondContact OG-N 3.36Å; S506-D681 PolarHBondContact N-OD2 2.99Å; S506-D681 PolarHBondContact OG-OD2 3.32Å; S506-R683 PolarHBondContact OG-NH2 3.34Å
507K85.3Confident87.1Confident107 Ų10767 Ų6747%0.46533%0.329SS..  trans-63.2146.6166.6-76.3177.9177.2-172.40109.5S505 E509 T510 R511S505-K507 WeakPolarHBondContact OG-CB 3.4Å; S505-K507 VanDerWaalsContact OG-CG 3.29Å; S505-K507 WeakPolarHBondContact OG-CG 3.38Å; S505-K507 PolarHBondContact OG-N 2.99Å; S505-K507 VanDerWaalsContact OG-N 3.14Å; K507-E509 VanDerWaalsContact C-N 3.26Å; K507-E509 PolarHBondContact O-N 3.02Å; K507-T510 PolarHBondContact N-OG1 3.36Å; K507-T510 CarbonylContact O-C 3.56Å; K507-T510 PolarHBondContact O-N 3.45Å; K507-T510 PolarHBondContact O-OG1 2.8Å; K507-R511 WeakPolarHBondContact O-CG 2.94Å; K507-R511 PolarHBondContact O-N 3.3Å
508F78.6Confident87.1Confident153 Ų15367.5 Ų67.567%0.67133%0.331SS*.G310 helixtrans-52.8-43.8-174.9-171.7-99.1000113T510 R511F508-T510 VanDerWaalsContact C-N 3.32Å; F508-T510 PolarHBondContact O-N 3.39Å; F508-R511 PolarHBondContact O-N 3.49Å
509E78Confident87.3Confident166 Ų16667.5 Ų67.578%0.77633%0.331SS*.G310 helixtrans-62-35.1176.5-64.5163.1-168.700113.5K507K507-E509 VanDerWaalsContact C-N 3.26Å; K507-E509 PolarHBondContact O-N 3.02Å
510T77.7Confident87.6Confident33 Ų3365.1 Ų65.120%0.20232%0.318CS..G310 helixtrans-98.95.3-17465.80000113.1S505 K507 F508 D513S505-T510 PolarHBondContact O-OG1 2.84Å; S505-T510 PolarHBondContact OG-OG1 3.42Å; K507-T510 PolarHBondContact N-OG1 3.36Å; K507-T510 CarbonylContact O-C 3.56Å; K507-T510 PolarHBondContact O-N 3.45Å; K507-T510 PolarHBondContact O-OG1 2.8Å; F508-T510 VanDerWaalsContact C-N 3.32Å; F508-T510 PolarHBondContact O-N 3.39Å; T510-D513 WeakPolarHBondContact CA-OD2 3.18Å; T510-D513 WeakPolarHBondContact CB-OD2 3.46Å
511R79.6Confident87.9Confident62 Ų6261 Ų6123%0.23430%0.296CS..SBendtrans-75.3-31.5-177.2-86.7175.2-168.1-165.4-4.1112.9S506 K507 F508 D513 Y544S506-R511 PolarHBondContact O-NE 2.96Å; S506-R511 PolarHBondContact O-NH2 3.23Å; K507-R511 WeakPolarHBondContact O-CG 2.94Å; K507-R511 PolarHBondContact O-N 3.3Å; F508-R511 PolarHBondContact O-N 3.49Å; R511-D513 VanDerWaalsContact C-N 3.34Å; R511-Y544 HydrophobicContact CB-CE2 3.91Å; R511-Y544 HydrophobicContact CG-CD2 4.3Å; R511-Y544 HydrophobicContact CG-CE2 3.72Å
512E82.1Confident88.1Confident158 Ų15857.7 Ų57.774%0.73828%0.282SS*.SBendtrans-89.5-5.5-179.6-63.8-178.1177.200112.1F514E512-F514 PolarHBondContact O-N 3.09Å
513D88.8Confident88.3Confident77 Ų7755.2 Ų55.241%0.41227%0.267SS..  trans-65.1110.2177.3-71.7-24.1000110.4T510 R511 A515 V516 I517T510-D513 WeakPolarHBondContact CA-OD2 3.18Å; T510-D513 WeakPolarHBondContact CB-OD2 3.46Å; R511-D513 VanDerWaalsContact C-N 3.34Å; D513-A515 PolarHBondContact O-N 3.1Å; D513-A515 VanDerWaalsContact O-N 3.1Å; D513-V516 HydrophobicContact CB-CB 4.35Å; D513-V516 HydrophobicContact CB-CG2 3.95Å; D513-V516 PolarHBondContact O-N 3.33Å; D513-I517 PolarHBondContact O-N 2.84Å
514F87.6Confident88.6Confident146 Ų14653.2 Ų53.264%0.6425%0.25SS*.Hα-helixtrans-53-34177.4-73.5-77.9000113E512 V516 I517 R518E512-F514 PolarHBondContact O-N 3.09Å; F514-V516 PolarHBondContact O-N 3.29Å; F514-I517 PolarHBondContact O-N 3.23Å; F514-R518 VanDerWaalsContact O-CB 3.31Å; F514-R518 WeakPolarHBondContact O-CB 3.47Å; F514-R518 PolarHBondContact O-N 3.37Å
515A90.4Very high88.8Confident38 Ų3855.1 Ų55.131%0.31426%0.26SS..Hα-helixtrans-63.8-38.2177.300000112.6D513 N519D513-A515 PolarHBondContact O-N 3.1Å; D513-A515 VanDerWaalsContact O-N 3.1Å; A515-N519 WeakPolarHBondContact O-CB 3.43Å; A515-N519 PolarHBondContact O-N 2.73Å; A515-N519 PolarHBondContact O-ND2 3.13Å
516V91.6Very high89Confident3 Ų357 Ų572%0.01827%0.268CS..Hα-helixtrans-71.8-44.2178.3178.80000110.1V502 L504 D513 F514 R518 N519 Y520V502-V516 HydrophobicContact CG1-CG2 4.33Å; L504-V516 HydrophobicContact CD2-CG1 4.22Å; D513-V516 HydrophobicContact CB-CB 4.35Å; D513-V516 HydrophobicContact CB-CG2 3.95Å; D513-V516 PolarHBondContact O-N 3.33Å; F514-V516 PolarHBondContact O-N 3.29Å; V516-R518 VanDerWaalsContact C-N 3.32Å; V516-R518 PolarHBondContact O-N 3.23Å; V516-N519 PolarHBondContact O-N 3.15Å; V516-Y520 HydrophobicContact CG1-CD2 4.04Å; V516-Y520 HydrophobicContact CG1-CE2 3.65Å; V516-Y520 PolarHBondContact O-N 3.38Å
517I92.5Very high89.4Confident13 Ų1357 Ų577%0.06727%0.268CS..Hα-helixtrans-59.3-44.6177.1-62.1173.1000110.7D513 F514 Y520 G521 I548 W552D513-I517 PolarHBondContact O-N 2.84Å; F514-I517 PolarHBondContact O-N 3.23Å; I517-Y520 PolarHBondContact O-N 2.89Å; I517-G521 PolarHBondContact O-N 2.85Å; I517-I548 HydrophobicContact CG1-CG1 4.39Å; I517-I548 HydrophobicContact CG2-CG1 4.34Å; I517-I548 HydrophobicContact CG2-CG2 4.41Å; I517-W552 PolarHBondContact O-NE1 2.92Å
518R92.5Very high89.9Confident107 Ų10752.2 Ų52.240%0.40425%0.247SC..Hα-helixtrans-60.4-46.1175.2-175178.973.4-172.83.8111.6D500 F514 V516 Y520 G521 N522 I557D500-R518 IonicContact OD2-CZ 3.89Å; D500-R518 IonicContact OD2-NE 3.89Å; D500-R518 IonicContact OD2-NH2 2.74Å; D500-R518 PolarHBondContact OD2-NH2 3.41Å; F514-R518 VanDerWaalsContact O-CB 3.31Å; F514-R518 WeakPolarHBondContact O-CB 3.47Å; F514-R518 PolarHBondContact O-N 3.37Å; V516-R518 VanDerWaalsContact C-N 3.32Å; V516-R518 PolarHBondContact O-N 3.23Å; R518-Y520 VanDerWaalsContact C-N 3.33Å; R518-Y520 PolarHBondContact O-N 3.44Å; R518-G521 CarbonylContact O-C 3.59Å; R518-G521 WeakPolarHBondContact O-CA 3.12Å; R518-G521 PolarHBondContact O-N 2.97Å; R518-G521 VanDerWaalsContact O-N 3.1Å; R518-N522 PolarHBondContact O-N 2.97Å; R518-I557 HydrophobicContact CG-CD1 4.32Å
519N93Very high90.6Very high0 Ų048.4 Ų48.40%024%0.244CC..Hα-helixtrans-66.2-32.6179.4-78.8-60.3000112.9G498 L504 A515 V516 N522 L523G498-N519 WeakPolarHBondContact CA-OD1 3.46Å; L504-N519 HydrophobicContact CD2-CB 3.58Å; A515-N519 WeakPolarHBondContact O-CB 3.43Å; A515-N519 PolarHBondContact O-N 2.73Å; A515-N519 PolarHBondContact O-ND2 3.13Å; V516-N519 PolarHBondContact O-N 3.15Å; N519-N522 PolarHBondContact O-N 2.96Å; N519-L523 WeakPolarHBondContact O-CB 3.29Å; N519-L523 PolarHBondContact O-N 3.36Å
520Y94.3Very high91.4Very high0 Ų041.9 Ų41.90%022%0.215CC..Hα-helixtrans-65.6-39.1169.6-72.8-36.8000112.4L504 V516 I517 R518 L523 L524 Y544 I548 F621 A680L504-Y520 HydrophobicContact CB-CE1 4.21Å; L504-Y520 HydrophobicContact CD1-CE1 4.31Å; L504-Y520 HydrophobicContact CD2-CD1 3.94Å; L504-Y520 HydrophobicContact CD2-CE1 3.86Å; L504-Y520 HydrophobicContact CG-CE1 4.36Å; V516-Y520 HydrophobicContact CG1-CD2 4.04Å; V516-Y520 HydrophobicContact CG1-CE2 3.65Å; V516-Y520 PolarHBondContact O-N 3.38Å; I517-Y520 PolarHBondContact O-N 2.89Å; R518-Y520 VanDerWaalsContact C-N 3.33Å; R518-Y520 PolarHBondContact O-N 3.44Å; Y520-L523 PolarHBondContact O-N 3.3Å; Y520-L524 PolarHBondContact O-N 3.42Å; Y520-Y544 WeakPolarHBondContact CE2-OH 3.37Å; Y520-I548 HydrophobicContact CD2-CD1 4.42Å; Y520-F621 AromaticContact CD1-CD1 3.43Å; Y520-F621 HydrophobicContact CD1-CD1 3.43Å; Y520-F621 VanDerWaalsContact CD1-CD1 3.43Å; Y520-F621 AromaticContact CD1-CE1 3.67Å; Y520-F621 HydrophobicContact CD1-CE1 3.67Å; Y520-F621 HydrophobicContact CD2-CD1 4.44Å; Y520-F621 AromaticContact CE1-CD1 3.86Å; Y520-F621 HydrophobicContact CE1-CD1 3.86Å; Y520-F621 HydrophobicContact CE1-CE1 4.47Å; Y520-F621 AromaticContact CG-CD1 3.76Å; Y520-F621 HydrophobicContact CG-CD1 3.76Å; Y520-F621 AromaticContact CG-CE1 3.97Å; Y520-F621 HydrophobicContact CG-CE1 3.97Å; Y520-A680 HydrophobicContact CD1-CB 4.33Å; Y520-A680 HydrophobicContact CE1-CB 3.9Å; Y520-A680 VanDerWaalsContact CE1-O 3.29Å; Y520-A680 WeakPolarHBondContact CE1-O 3.48Å; Y520-A680 PolarHBondContact OH-O 3.35Å
521G94.4Very high92.1Very high0 Ų040.4 Ų40.40%021%0.207CC..Hα-helixtrans-63.7-43.9174.200000112.2I517 R518 L524 L525 W552I517-G521 PolarHBondContact O-N 2.85Å; R518-G521 CarbonylContact O-C 3.59Å; R518-G521 WeakPolarHBondContact O-CA 3.12Å; R518-G521 PolarHBondContact O-N 2.97Å; R518-G521 VanDerWaalsContact O-N 3.1Å; G521-L524 PolarHBondContact O-N 3.32Å; G521-L525 VanDerWaalsContact O-CB 3.31Å; G521-L525 WeakPolarHBondContact O-CB 3.31Å; G521-L525 PolarHBondContact O-N 3.16Å; G521-W552 VanDerWaalsContact CA-CE2 3.41Å; G521-W552 VanDerWaalsContact CA-CZ2 3.47Å; G521-W552 VanDerWaalsContact N-CZ2 3.32Å
522N94.3Very high92.7Very high40 Ų4039.9 Ų39.921%0.21421%0.211CC..Hα-helixtrans-63.1-43.7175.8-71.3-10.8000111.8R518 N519 L524 L525 E526R518-N522 PolarHBondContact O-N 2.97Å; N519-N522 PolarHBondContact O-N 2.96Å; N522-L524 VanDerWaalsContact C-N 3.34Å; N522-L524 PolarHBondContact O-N 2.84Å; N522-L525 PolarHBondContact O-N 3.47Å; N522-E526 WeakPolarHBondContact O-CG 3.38Å; N522-E526 PolarHBondContact O-N 3.13Å
523L95.4Very high93.1Very high0 Ų034.8 Ų34.80%019%0.189CC..Hα-helixtrans-57.1-48173.5175.862.9000111V495 N519 Y520 L525 M527 I619 F621 A680 V710V495-L523 HydrophobicContact CG1-CD1 4.48Å; V495-L523 HydrophobicContact CG1-CD2 4.44Å; N519-L523 WeakPolarHBondContact O-CB 3.29Å; N519-L523 PolarHBondContact O-N 3.36Å; Y520-L523 PolarHBondContact O-N 3.3Å; L523-L525 PolarHBondContact O-N 3.44Å; L523-M527 HydrophobicContact CD1-CG 3.84Å; L523-M527 HydrophobicContact CG-CG 4.48Å; L523-M527 VanDerWaalsContact O-CB 3.29Å; L523-M527 WeakPolarHBondContact O-CB 3.07Å; L523-M527 WeakPolarHBondContact O-CG 3.4Å; L523-M527 PolarHBondContact O-N 2.89Å; L523-I619 HydrophobicContact CD2-CG2 4.43Å; L523-F621 HydrophobicContact CD2-CE1 4.11Å; L523-A680 HydrophobicContact CD2-CB 3.64Å; L523-V710 HydrophobicContact CB-CG1 4.05Å; L523-V710 HydrophobicContact CB-CG2 4.09Å; L523-V710 HydrophobicContact CD1-CB 4.48Å; L523-V710 HydrophobicContact CD1-CG1 3.84Å; L523-V710 HydrophobicContact CD1-CG2 4.27Å
524L95.8Very high93.3Very high2 Ų231.1 Ų31.11%0.0117%0.169CC..Hα-helixtrans-64.8-40.7178.9-171.558.5000112.1Y520 G521 N522 S528 I535 W552 I561 I595 L597 I619 F621Y520-L524 PolarHBondContact O-N 3.42Å; G521-L524 PolarHBondContact O-N 3.32Å; N522-L524 VanDerWaalsContact C-N 3.34Å; N522-L524 PolarHBondContact O-N 2.84Å; L524-S528 VanDerWaalsContact O-CB 3.25Å; L524-S528 WeakPolarHBondContact O-CB 3.22Å; L524-S528 PolarHBondContact O-N 3.27Å; L524-S528 PolarHBondContact O-OG 3.37Å; L524-I535 HydrophobicContact CD1-CG2 4.3Å; L524-W552 HydrophobicContact CB-CH2 4.45Å; L524-W552 HydrophobicContact CD2-CH2 3.76Å; L524-W552 HydrophobicContact CD2-CZ3 3.54Å; L524-I561 HydrophobicContact CB-CD1 4.28Å; L524-I561 HydrophobicContact CD2-CD1 3.93Å; L524-I561 HydrophobicContact CG-CD1 4.09Å; L524-I595 HydrophobicContact CD1-CD1 4.36Å; L524-I595 HydrophobicContact CD1-CG2 4.21Å; L524-L597 HydrophobicContact CD2-CD2 3.99Å; L524-I619 HydrophobicContact CD1-CD1 4.06Å; L524-F621 HydrophobicContact CB-CZ 4.2Å
525L95.8Very high93.6Very high40 Ų4024.1 Ų24.121%0.20914%0.139CC..Hα-helixtrans-62.4-50.8179177.963000111.6G521 N522 L523 S528 A529 N560 I561G521-L525 VanDerWaalsContact O-CB 3.31Å; G521-L525 WeakPolarHBondContact O-CB 3.31Å; G521-L525 PolarHBondContact O-N 3.16Å; N522-L525 PolarHBondContact O-N 3.47Å; L523-L525 PolarHBondContact O-N 3.44Å; L525-S528 PolarHBondContact O-N 3.08Å; L525-S528 PolarHBondContact O-OG 3.09Å; L525-A529 PolarHBondContact O-N 3.29Å; L525-N560 HydrophobicContact CD1-CB 3.73Å; L525-N560 HydrophobicContact CD2-CB 4.29Å; L525-I561 HydrophobicContact CB-CG1 4.09Å; L525-I561 HydrophobicContact CD1-CG1 3.89Å
526E94.8Very high93.8Very high53 Ų5322.3 Ų22.325%0.24812%0.124CC..Hα-helixtrans-68-38.4-179.1-69178.2-163.300111.9N499 N522 S528 A529 V530 V710 V714N499-E526 PolarHBondContact ND2-OE1 3.09Å; N499-E526 VanDerWaalsContact ND2-OE1 3.17Å; N522-E526 WeakPolarHBondContact O-CG 3.38Å; N522-E526 PolarHBondContact O-N 3.13Å; E526-S528 VanDerWaalsContact C-N 3.34Å; E526-S528 PolarHBondContact O-N 2.98Å; E526-A529 PolarHBondContact O-N 3.01Å; E526-V530 PolarHBondContact O-N 2.9Å; E526-V710 WeakPolarHBondContact OE2-CG1 3.4Å; E526-V714 HydrophobicContact CB-CG2 3.71Å
527M94.6Very high94Very high0 Ų022.2 Ų22.20%012%0.123CC..Hα-helixtrans-67.6-34.9174.9-64.9-51.5-80.200111.9L523 A529 V530 V531 I619 L676 I678 V714 S717L523-M527 HydrophobicContact CD1-CG 3.84Å; L523-M527 HydrophobicContact CG-CG 4.48Å; L523-M527 VanDerWaalsContact O-CB 3.29Å; L523-M527 WeakPolarHBondContact O-CB 3.07Å; L523-M527 WeakPolarHBondContact O-CG 3.4Å; L523-M527 PolarHBondContact O-N 2.89Å; M527-A529 PolarHBondContact O-N 3.34Å; M527-V530 PolarHBondContact O-N 3.2Å; M527-V530 VanDerWaalsContact O-N 3.12Å; M527-V531 HydrophobicContact CE-CG2 4.05Å; M527-V531 WeakPolarHBondContact O-CB 3.33Å; M527-V531 WeakPolarHBondContact O-CG2 3.48Å; M527-V531 PolarHBondContact O-N 3.25Å; M527-I619 HydrophobicContact CB-CD1 4.17Å; M527-I619 HydrophobicContact CG-CD1 4.36Å; M527-L676 HydrophobicContact CE-CD2 3.2Å; M527-I678 HydrophobicContact CE-CD1 3.2Å; M527-I678 HydrophobicContact CE-CG1 4.45Å; M527-I678 HydrophobicContact CG-CD1 4.07Å; M527-I678 HydrophobicContact SD-CD1 4.23Å; M527-V714 HydrophobicContact SD-CB 4.32Å; M527-V714 HydrophobicContact SD-CG2 3.53Å; M527-V714 VanDerWaalsContact SD-CG2 3.53Å; M527-S717 WeakPolarHBondContact CE-OG 3.4Å
528S95.1Very high94.2Very high5 Ų521.6 Ų21.64%0.03512%0.12CC..Hα-helixtrans-62.2-29.6174.876.10000113.3L524 L525 E526 N564 K565L524-S528 VanDerWaalsContact O-CB 3.25Å; L524-S528 WeakPolarHBondContact O-CB 3.22Å; L524-S528 PolarHBondContact O-N 3.27Å; L524-S528 PolarHBondContact O-OG 3.37Å; L525-S528 PolarHBondContact O-N 3.08Å; L525-S528 PolarHBondContact O-OG 3.09Å; E526-S528 VanDerWaalsContact C-N 3.34Å; E526-S528 PolarHBondContact O-N 2.98Å; S528-N564 PolarHBondContact OG-ND2 2.87Å; S528-K565 VanDerWaalsContact O-CE 3.22Å; S528-K565 WeakPolarHBondContact O-CE 3.42Å
529A93.9Very high94.2Very high73 Ų7316.5 Ų16.560%0.60310%0.101SC*.Hα-helixtrans-78.8-18.717700000113.4L525 E526 M527L525-A529 PolarHBondContact O-N 3.29Å; E526-A529 PolarHBondContact O-N 3.01Å; M527-A529 PolarHBondContact O-N 3.34Å
530V94.3Very high94.1Very high29 Ų2917 Ų1718%0.17610%0.103CC..Hα-helixtrans-105.5-43.5-174.11710000113.2E526 M527 V714 K718 L721E526-V530 PolarHBondContact O-N 2.9Å; M527-V530 PolarHBondContact O-N 3.2Å; M527-V530 VanDerWaalsContact O-N 3.12Å; V530-V714 HydrophobicContact CG2-CG1 3.72Å; V530-K718 HydrophobicContact CB-CG 4.31Å; V530-K718 HydrophobicContact CG1-CB 4.39Å; V530-K718 HydrophobicContact CG1-CG 3.46Å; V530-K718 VanDerWaalsContact CG1-CG 3.46Å; V530-K718 HydrophobicContact CG2-CD 4.16Å; V530-K718 HydrophobicContact CG2-CG 3.83Å; V530-L721 HydrophobicContact CG1-CD1 3.96Å
531V94.2Very high93.9Very high3 Ų318.8 Ų18.82%0.01812%0.116CC..SBendtrans-79.3126.5-172179.30000109.1M527 I535 K565 R616 A617 L676 L721M527-V531 HydrophobicContact CE-CG2 4.05Å; M527-V531 WeakPolarHBondContact O-CB 3.33Å; M527-V531 WeakPolarHBondContact O-CG2 3.48Å; M527-V531 PolarHBondContact O-N 3.25Å; V531-I535 HydrophobicContact CB-CD1 3.98Å; V531-I535 HydrophobicContact CB-CG1 3.99Å; V531-I535 HydrophobicContact CG1-CD1 4.44Å; V531-I535 HydrophobicContact CG1-CG1 3.89Å; V531-I535 HydrophobicContact CG2-CD1 4.44Å; V531-K565 WeakPolarHBondContact O-CE 3.34Å; V531-K565 PolarHBondContact O-NZ 3.48Å; V531-R616 HydrophobicContact CG1-CB 3.7Å; V531-A617 HydrophobicContact CB-CB 4.29Å; V531-A617 HydrophobicContact CG1-CB 3.69Å; V531-A617 HydrophobicContact CG2-CB 3.74Å; V531-L676 HydrophobicContact CG2-CD2 4.47Å; V531-L721 HydrophobicContact CG2-CD1 4.28Å
532P91.2Very high93.7Very high50 Ų5020.6 Ų20.633%0.32512%0.123SC..  trans-70.7158.9175.229.8-34.1000111.4G534 R616P532-G534 PolarHBondContact O-N 3.45Å; P532-R616 HydrophobicContact CG-CG 4.37Å
533D89.8Confident93.4Very high51 Ų5122.1 Ų22.127%0.27313%0.134SC..SBendtrans57.8-117.6169.9-44-36.4000113.2K565 G593 A594 H613D533-K565 PolarHBondContact O-NZ 3.39Å; D533-G593 WeakPolarHBondContact O-CA 3.48Å; D533-A594 PolarHBondContact O-N 3.24Å; D533-A594 VanDerWaalsContact O-N 3.12Å; D533-H613 HydrophobicContact CB-CB 4.05Å; D533-H613 VanDerWaalsContact CB-O 3.29Å; D533-H613 WeakPolarHBondContact CB-O 3.21Å; D533-H613 WeakPolarHBondContact OD2-CB 3.35Å
534G93Very high93.1Very high0 Ų022.7 Ų22.70%014%0.136CC..EExtended strand (participates in β ladder)trans-97.4134.1-171.900000115.4P532 Y584 A594 H613 R616P532-G534 PolarHBondContact O-N 3.45Å; G534-Y584 WeakPolarHBondContact CA-OH 3.35Å; G534-A594 CarbonylContact C-O 3.5Å; G534-A594 WeakPolarHBondContact CA-O 3.22Å; G534-H613 PolarHBondContact N-O 3.2Å; G534-R616 PolarHBondContact O-N 3.45Å
535I95.3Very high92.9Very high0 Ų022.7 Ų22.70%014%0.136CC..EExtended strand (participates in β ladder)trans-114132.8165.6-60.2174.1000109L524 V531 K565 A594 I595 L596 A617 I619L524-I535 HydrophobicContact CD1-CG2 4.3Å; V531-I535 HydrophobicContact CB-CD1 3.98Å; V531-I535 HydrophobicContact CB-CG1 3.99Å; V531-I535 HydrophobicContact CG1-CD1 4.44Å; V531-I535 HydrophobicContact CG1-CG1 3.89Å; V531-I535 HydrophobicContact CG2-CD1 4.44Å; I535-K565 HydrophobicContact CD1-CD 4.29Å; I535-A594 PolarHBondContact N-O 2.7Å; I535-I595 HydrophobicContact CB-CG1 4.22Å; I535-I595 HydrophobicContact CB-CG2 4.4Å; I535-I595 HydrophobicContact CD1-CD1 4.48Å; I535-I595 HydrophobicContact CD1-CG1 4.5Å; I535-I595 HydrophobicContact CG2-CG2 4.49Å; I535-I595 CarbonylContact O-C 3.57Å; I535-I595 VanDerWaalsContact O-CA 3.28Å; I535-I595 WeakPolarHBondContact O-CA 3.3Å; I535-L596 PolarHBondContact O-N 3.43Å; I535-A617 WeakPolarHBondContact CA-O 3.37Å; I535-A617 HydrophobicContact CG1-CB 4.42Å; I535-I619 HydrophobicContact CG2-CD1 3.91Å; I535-I619 HydrophobicContact CG2-CG1 4.11Å
536V94.9Very high92.8Very high0 Ų026 Ų260%015%0.15CC..EExtended strand (participates in β ladder)trans-111.5118.5172.5-173.10000108.9F538 F610 A617 V618 I619V536-F538 HydrophobicContact CB-CE2 4.34Å; V536-F538 HydrophobicContact CG1-CD2 4.11Å; V536-F538 HydrophobicContact CG1-CE1 4.17Å; V536-F538 HydrophobicContact CG1-CE2 3.51Å; V536-F538 HydrophobicContact CG1-CZ 3.55Å; V536-F610 HydrophobicContact CG1-CE2 3.88Å; V536-F610 HydrophobicContact CG1-CZ 3.87Å; V536-F610 HydrophobicContact CG2-CD1 3.84Å; V536-F610 HydrophobicContact CG2-CD2 4.09Å; V536-F610 HydrophobicContact CG2-CE1 3.82Å; V536-F610 HydrophobicContact CG2-CE2 4.09Å; V536-F610 HydrophobicContact CG2-CG 3.98Å; V536-F610 HydrophobicContact CG2-CZ 3.94Å; V536-A617 PolarHBondContact N-O 3.5Å; V536-V618 HydrophobicContact CB-CG2 4.36Å; V536-V618 CarbonylContact O-C 3.59Å; V536-V618 VanDerWaalsContact O-CA 3.31Å; V536-V618 WeakPolarHBondContact O-CA 3.44Å; V536-I619 PolarHBondContact O-N 3.05Å
537A95.4Very high92.6Very high0 Ų028.2 Ų28.20%016%0.164CC..EExtended strand (participates in β ladder)trans-110.4120.3178.600000110.3F539 L596 L597 S598 I619 F621A537-F539 HydrophobicContact CB-CE2 4.45Å; A537-L596 PolarHBondContact N-O 2.99Å; A537-L597 HydrophobicContact CB-CD2 3.75Å; A537-S598 PolarHBondContact O-N 3.31Å; A537-S598 PolarHBondContact O-OG 3.4Å; A537-I619 CarbonylContact C-O 3.58Å; A537-I619 WeakPolarHBondContact CA-O 3.4Å; A537-I619 HydrophobicContact CB-CB 4.48Å; A537-F621 HydrophobicContact CB-CD2 4.05Å; A537-F621 HydrophobicContact CB-CE2 3.68Å
538F95.5Very high92.5Very high0 Ų028.3 Ų28.30%016%0.164CC..EExtended strand (participates in β ladder)trans-103.3125.9178.6-67.5-76.9000111V536 S598 A600 F610 V618 I619 M620 F621 C663V536-F538 HydrophobicContact CB-CE2 4.34Å; V536-F538 HydrophobicContact CG1-CD2 4.11Å; V536-F538 HydrophobicContact CG1-CE1 4.17Å; V536-F538 HydrophobicContact CG1-CE2 3.51Å; V536-F538 HydrophobicContact CG1-CZ 3.55Å; F538-S598 CarbonylContact C-O 3.54Å; F538-S598 VanDerWaalsContact CA-O 3.3Å; F538-S598 WeakPolarHBondContact CA-O 3.49Å; F538-S598 WeakPolarHBondContact CD1-OG 3.42Å; F538-S598 WeakPolarHBondContact CE1-OG 3.4Å; F538-A600 HydrophobicContact CB-CB 4.24Å; F538-F610 HydrophobicContact CZ-CE2 4.03Å; F538-V618 HydrophobicContact CD2-CG1 3.63Å; F538-V618 HydrophobicContact CE2-CG1 3.56Å; F538-I619 PolarHBondContact N-O 3Å; F538-M620 HydrophobicContact CB-CE 3.64Å; F538-M620 HydrophobicContact CB-SD 3.53Å; F538-M620 VanDerWaalsContact CB-SD 3.53Å; F538-M620 HydrophobicContact CD2-SD 3.56Å; F538-M620 VanDerWaalsContact CD2-SD 3.56Å; F538-M620 HydrophobicContact CG-CE 4.37Å; F538-M620 HydrophobicContact CG-SD 3.86Å; F538-F621 PolarHBondContact O-N 2.99Å; F538-C663 HydrophobicContact CD1-CB 4.29Å; F538-C663 HydrophobicContact CD2-CB 3.66Å; F538-C663 HydrophobicContact CE1-CB 4.33Å; F538-C663 HydrophobicContact CE2-CB 3.69Å; F538-C663 HydrophobicContact CG-CB 3.96Å; F538-C663 HydrophobicContact CZ-CB 4.03Å
539F94Very high92.4Very high1 Ų129 Ų290%0.00417%0.169CC..EExtended strand (participates in β ladder)trans-98.5161.9173-68.2-91.1000111.6A537 S541 Y544 M545 I548 W552 L597 S598 A600 F621A537-F539 HydrophobicContact CB-CE2 4.45Å; F539-S541 PolarHBondContact O-N 3.14Å; F539-Y544 HydrophobicContact CD1-CD1 4.29Å; F539-M545 HydrophobicContact CB-CB 3.96Å; F539-M545 HydrophobicContact CB-CG 4.48Å; F539-M545 HydrophobicContact CD1-CB 4.4Å; F539-M545 HydrophobicContact CD2-CB 4.06Å; F539-M545 HydrophobicContact CD2-CG 3.67Å; F539-M545 HydrophobicContact CD2-SD 3.97Å; F539-M545 HydrophobicContact CE2-CG 4Å; F539-M545 HydrophobicContact CG-CB 3.88Å; F539-M545 HydrophobicContact CG-CG 4.02Å; F539-I548 HydrophobicContact CD1-CD1 4.02Å; F539-I548 HydrophobicContact CE1-CB 4.33Å; F539-I548 HydrophobicContact CE1-CD1 3.74Å; F539-I548 HydrophobicContact CE1-CG2 4.01Å; F539-I548 HydrophobicContact CZ-CG2 4.4Å; F539-W552 HydrophobicContact CE1-CH2 4.36Å; F539-W552 AromaticContact CZ-CH2 3.85Å; F539-W552 HydrophobicContact CZ-CH2 3.85Å; F539-W552 HydrophobicContact CZ-CZ3 4.15Å; F539-L597 HydrophobicContact CE2-CB 4.1Å; F539-L597 HydrophobicContact CE2-CD2 4.1Å; F539-L597 HydrophobicContact CE2-CG 4.46Å; F539-S598 PolarHBondContact N-O 3.19Å; F539-A600 PolarHBondContact O-N 2.84Å; F539-F621 HydrophobicContact CD1-CB 3.97Å; F539-F621 HydrophobicContact CD1-CD2 4.14Å; F539-F621 HydrophobicContact CD1-CG 4.35Å; F539-F621 HydrophobicContact CD2-CD2 4.43Å; F539-F621 HydrophobicContact CE1-CB 4.13Å; F539-F621 AromaticContact CE1-CD2 3.64Å; F539-F621 HydrophobicContact CE1-CD2 3.64Å; F539-F621 HydrophobicContact CE1-CE2 4.31Å; F539-F621 HydrophobicContact CE1-CG 4.04Å; F539-F621 AromaticContact CE2-CD2 3.97Å; F539-F621 HydrophobicContact CE2-CD2 3.97Å; F539-F621 HydrophobicContact CE2-CE2 4.38Å; F539-F621 AromaticContact CZ-CD2 3.56Å; F539-F621 HydrophobicContact CZ-CD2 3.56Å; F539-F621 AromaticContact CZ-CE2 3.89Å; F539-F621 HydrophobicContact CZ-CE2 3.89Å; F539-F621 HydrophobicContact CZ-CG 4.4Å
540T91.1Very high92.4Very high9 Ų928 Ų286%0.05516%0.16CC..SBendtrans-69.9-30.4179.859.80000113.8Y544 F621 V623T540-Y544 WeakPolarHBondContact OG1-CD1 3.46Å; T540-F621 WeakPolarHBondContact CG2-O 3.48Å; T540-V623 WeakPolarHBondContact CG2-O 3.49Å
541S89.4Confident92.3Very high38 Ų3827 Ų2727%0.26616%0.155SC..  trans-162.9153.4-17659.10000111.7F539 V543 Y544 M545F539-S541 PolarHBondContact O-N 3.14Å; S541-V543 PolarHBondContact O-N 3.41Å; S541-Y544 PolarHBondContact O-N 3.14Å; S541-Y544 VanDerWaalsContact O-N 3.15Å; S541-Y544 WeakPolarHBondContact OG-CB 3.42Å; S541-Y544 PolarHBondContact OG-N 2.66Å; S541-M545 PolarHBondContact O-N 3.05Å
542Y89.2Confident92.4Very high39 Ų3926.9 Ų26.915%0.15315%0.154CC..Hα-helixtrans-55.3-46.9176.9-68.4-78.7000113Y544 M545 E546 E570 Q572 V599 G602Y542-Y544 VanDerWaalsContact C-N 3.28Å; Y542-Y544 PolarHBondContact O-N 2.84Å; Y542-M545 HydrophobicContact CD1-CE 4.04Å; Y542-M545 WeakPolarHBondContact O-CB 3.25Å; Y542-M545 PolarHBondContact O-N 2.91Å; Y542-M545 VanDerWaalsContact O-N 3.1Å; Y542-E546 WeakPolarHBondContact O-CG 3.45Å; Y542-E546 PolarHBondContact O-N 3.27Å; Y542-E570 HydrophobicContact CE1-CG 4.18Å; Y542-E570 PolarHBondContact OH-OE1 3.37Å; Y542-Q572 HydrophobicContact CD1-CG 4.17Å; Y542-Q572 HydrophobicContact CD2-CG 4.16Å; Y542-Q572 HydrophobicContact CE1-CG 4.21Å; Y542-Q572 HydrophobicContact CE2-CG 4.18Å; Y542-Q572 HydrophobicContact CG-CG 4.17Å; Y542-V599 HydrophobicContact CD1-CG2 3.55Å; Y542-V599 HydrophobicContact CD2-CG1 4.45Å; Y542-V599 HydrophobicContact CD2-CG2 4.09Å; Y542-V599 HydrophobicContact CE1-CB 4.23Å; Y542-V599 HydrophobicContact CE1-CG2 3.63Å; Y542-V599 HydrophobicContact CE2-CB 4.22Å; Y542-V599 HydrophobicContact CE2-CG1 4.35Å; Y542-V599 HydrophobicContact CE2-CG2 4.16Å; Y542-V599 HydrophobicContact CG-CG2 3.78Å; Y542-G602 WeakPolarHBondContact OH-CA 3.15Å
543V88.6Confident92.5Very high71 Ų7132.1 Ų32.143%0.4317%0.168SC..Hα-helixtrans-58.5-42.1178.7-179.30000111.6S541 N547S541-V543 PolarHBondContact O-N 3.41Å; V543-N547 WeakPolarHBondContact O-CB 3.37Å; V543-N547 PolarHBondContact O-N 3.26Å; V543-N547 PolarHBondContact O-OD1 3.12Å
544Y90Very high92.6Very high12 Ų1237.2 Ų37.25%0.04719%0.19CC..Hα-helixtrans-67.7-39178.3-172.1-124.1000112.2R511 Y520 F539 T540 S541 Y542 I548R511-Y544 HydrophobicContact CB-CE2 3.91Å; R511-Y544 HydrophobicContact CG-CD2 4.3Å; R511-Y544 HydrophobicContact CG-CE2 3.72Å; Y520-Y544 WeakPolarHBondContact CE2-OH 3.37Å; F539-Y544 HydrophobicContact CD1-CD1 4.29Å; T540-Y544 WeakPolarHBondContact OG1-CD1 3.46Å; S541-Y544 PolarHBondContact O-N 3.14Å; S541-Y544 VanDerWaalsContact O-N 3.15Å; S541-Y544 WeakPolarHBondContact OG-CB 3.42Å; S541-Y544 PolarHBondContact OG-N 2.66Å; Y542-Y544 VanDerWaalsContact C-N 3.28Å; Y542-Y544 PolarHBondContact O-N 2.84Å; Y544-I548 HydrophobicContact CD1-CD1 3.82Å; Y544-I548 HydrophobicContact CD2-CD1 4.2Å; Y544-I548 HydrophobicContact CD2-CG1 4.44Å; Y544-I548 HydrophobicContact CE1-CD1 3.36Å; Y544-I548 HydrophobicContact CE2-CD1 3.76Å; Y544-I548 HydrophobicContact CE2-CG1 4.15Å; Y544-I548 HydrophobicContact CG-CD1 4.23Å; Y544-I548 WeakPolarHBondContact O-CB 3.41Å; Y544-I548 WeakPolarHBondContact O-CG1 3.49Å; Y544-I548 PolarHBondContact O-N 3.11Å
545M92.1Very high92.5Very high3 Ų340.6 Ų40.62%0.01521%0.206CC..Hα-helixtrans-64.5-47.6175.6-177.9-179.472.900111.4F539 S541 Y542 N547 I548 V549 I569 E570 L597 V599F539-M545 HydrophobicContact CB-CB 3.96Å; F539-M545 HydrophobicContact CB-CG 4.48Å; F539-M545 HydrophobicContact CD1-CB 4.4Å; F539-M545 HydrophobicContact CD2-CB 4.06Å; F539-M545 HydrophobicContact CD2-CG 3.67Å; F539-M545 HydrophobicContact CD2-SD 3.97Å; F539-M545 HydrophobicContact CE2-CG 4Å; F539-M545 HydrophobicContact CG-CB 3.88Å; F539-M545 HydrophobicContact CG-CG 4.02Å; S541-M545 PolarHBondContact O-N 3.05Å; Y542-M545 HydrophobicContact CD1-CE 4.04Å; Y542-M545 WeakPolarHBondContact O-CB 3.25Å; Y542-M545 PolarHBondContact O-N 2.91Å; Y542-M545 VanDerWaalsContact O-N 3.1Å; M545-N547 PolarHBondContact O-N 2.77Å; M545-I548 PolarHBondContact O-N 2.93Å; M545-V549 HydrophobicContact CG-CG2 4.27Å; M545-V549 WeakPolarHBondContact O-CB 3.39Å; M545-V549 VanDerWaalsContact O-CG2 3.26Å; M545-V549 WeakPolarHBondContact O-CG2 3.5Å; M545-V549 PolarHBondContact O-N 3.48Å; M545-I569 HydrophobicContact CE-CG2 3.72Å; M545-I569 HydrophobicContact SD-CG2 4.24Å; M545-E570 VanDerWaalsContact CE-O 3.29Å; M545-E570 WeakPolarHBondContact CE-O 3.41Å; M545-L597 HydrophobicContact SD-CB 4.21Å; M545-V599 HydrophobicContact CE-CG2 4.36Å; M545-V599 HydrophobicContact SD-CG2 4.27Å
546E91.9Very high92.4Very high109 Ų10941.8 Ų41.851%0.50922%0.218SC..Hα-helixtrans-57.2-47.8177.6-73.2167.5-163.600111.3Y542 I548 V549 A550Y542-E546 WeakPolarHBondContact O-CG 3.45Å; Y542-E546 PolarHBondContact O-N 3.27Å; E546-I548 PolarHBondContact O-N 3.03Å; E546-V549 PolarHBondContact O-N 3.42Å; E546-A550 VanDerWaalsContact O-CB 3.3Å; E546-A550 WeakPolarHBondContact O-CB 3.39Å; E546-A550 PolarHBondContact O-N 3.24Å
547N91.5Very high92.3Very high100 Ų10042.5 Ų42.554%0.53522%0.222SC..Hα-helixtrans-62.7-43178.2-69.6-6.4000112.5V543 M545 S551V543-N547 WeakPolarHBondContact O-CB 3.37Å; V543-N547 PolarHBondContact O-N 3.26Å; V543-N547 PolarHBondContact O-OD1 3.12Å; M545-N547 PolarHBondContact O-N 2.77Å; N547-S551 WeakPolarHBondContact O-CB 3.27Å; N547-S551 PolarHBondContact O-N 2.82Å
548I92.4Very high92.2Very high1 Ų143.3 Ų43.31%0.00523%0.226CC..Hα-helixtrans-65.2-47.6178.3-76.3178.6000110.8I517 Y520 F539 Y544 M545 E546 A550 S551 W552I517-I548 HydrophobicContact CG1-CG1 4.39Å; I517-I548 HydrophobicContact CG2-CG1 4.34Å; I517-I548 HydrophobicContact CG2-CG2 4.41Å; Y520-I548 HydrophobicContact CD2-CD1 4.42Å; F539-I548 HydrophobicContact CD1-CD1 4.02Å; F539-I548 HydrophobicContact CE1-CB 4.33Å; F539-I548 HydrophobicContact CE1-CD1 3.74Å; F539-I548 HydrophobicContact CE1-CG2 4.01Å; F539-I548 HydrophobicContact CZ-CG2 4.4Å; Y544-I548 HydrophobicContact CD1-CD1 3.82Å; Y544-I548 HydrophobicContact CD2-CD1 4.2Å; Y544-I548 HydrophobicContact CD2-CG1 4.44Å; Y544-I548 HydrophobicContact CE1-CD1 3.36Å; Y544-I548 HydrophobicContact CE2-CD1 3.76Å; Y544-I548 HydrophobicContact CE2-CG1 4.15Å; Y544-I548 HydrophobicContact CG-CD1 4.23Å; Y544-I548 WeakPolarHBondContact O-CB 3.41Å; Y544-I548 WeakPolarHBondContact O-CG1 3.49Å; Y544-I548 PolarHBondContact O-N 3.11Å; M545-I548 PolarHBondContact O-N 2.93Å; E546-I548 PolarHBondContact O-N 3.03Å; I548-A550 VanDerWaalsContact C-N 3.33Å; I548-A550 PolarHBondContact O-N 3.48Å; I548-S551 PolarHBondContact O-N 2.95Å; I548-W552 HydrophobicContact CG2-CD2 3.58Å; I548-W552 HydrophobicContact CG2-CE3 3.95Å; I548-W552 HydrophobicContact CG2-CG 4.2Å; I548-W552 HydrophobicContact CG2-CH2 3.75Å; I548-W552 HydrophobicContact CG2-CZ2 3.33Å; I548-W552 HydrophobicContact CG2-CZ3 4.02Å; I548-W552 WeakPolarHBondContact O-CB 3.24Å; I548-W552 VanDerWaalsContact O-CG 3.3Å; I548-W552 PolarHBondContact O-N 3.46Å
549V93.1Very high92.1Very high21 Ų2148.4 Ų48.413%0.12725%0.25CC..Hα-helixtrans-64.6-40.6-177.9172.40000110.6M545 E546 W552 Y553 L558 I569 L597M545-V549 HydrophobicContact CG-CG2 4.27Å; M545-V549 WeakPolarHBondContact O-CB 3.39Å; M545-V549 VanDerWaalsContact O-CG2 3.26Å; M545-V549 WeakPolarHBondContact O-CG2 3.5Å; M545-V549 PolarHBondContact O-N 3.48Å; E546-V549 PolarHBondContact O-N 3.42Å; V549-W552 PolarHBondContact O-N 2.85Å; V549-Y553 PolarHBondContact O-N 3.24Å; V549-L558 HydrophobicContact CG1-CD2 4.45Å; V549-I569 HydrophobicContact CG1-CD1 3.98Å; V549-L597 HydrophobicContact CG2-CD1 3.79Å
550A93.6Very high92.1Very high50 Ų5051.3 Ų51.341%0.41327%0.265SS..Hα-helixtrans-59.2-47.1173.700000111.5E546 I548 W552 Y553 E554E546-A550 VanDerWaalsContact O-CB 3.3Å; E546-A550 WeakPolarHBondContact O-CB 3.39Å; E546-A550 PolarHBondContact O-N 3.24Å; I548-A550 VanDerWaalsContact C-N 3.33Å; I548-A550 PolarHBondContact O-N 3.48Å; A550-W552 PolarHBondContact O-N 2.9Å; A550-Y553 WeakPolarHBondContact O-CB 3.31Å; A550-Y553 PolarHBondContact O-N 3.48Å; A550-E554 PolarHBondContact O-N 2.89Å; A550-E554 VanDerWaalsContact O-N 3.1Å
551S93.2Very high92.3Very high10 Ų1050.9 Ų50.97%0.0726%0.263CS..Hα-helixtrans-66.3-35.8177.8-165.60000112.9N547 I548 Y553 E554 Q555N547-S551 WeakPolarHBondContact O-CB 3.27Å; N547-S551 PolarHBondContact O-N 2.82Å; I548-S551 PolarHBondContact O-N 2.95Å; S551-Y553 VanDerWaalsContact C-N 3.29Å; S551-Y553 PolarHBondContact O-N 3.42Å; S551-E554 PolarHBondContact O-N 3.37Å; S551-Q555 WeakPolarHBondContact O-CB 3.33Å; S551-Q555 VanDerWaalsContact O-CG 3.27Å; S551-Q555 WeakPolarHBondContact O-CG 3.26Å; S551-Q555 PolarHBondContact O-N 3.43Å; S551-Q555 PolarHBondContact OG-NE2 2.93Å
552W94.6Very high92.5Very high0 Ų054.1 Ų54.10%027%0.274CS..Hα-helixtrans-67-30.5175.2-73.2-8.8000113.2I517 G521 L524 F539 I548 V549 A550 G556 I557 L558 F621I517-W552 PolarHBondContact O-NE1 2.92Å; G521-W552 VanDerWaalsContact CA-CE2 3.41Å; G521-W552 VanDerWaalsContact CA-CZ2 3.47Å; G521-W552 VanDerWaalsContact N-CZ2 3.32Å; L524-W552 HydrophobicContact CB-CH2 4.45Å; L524-W552 HydrophobicContact CD2-CH2 3.76Å; L524-W552 HydrophobicContact CD2-CZ3 3.54Å; F539-W552 HydrophobicContact CE1-CH2 4.36Å; F539-W552 AromaticContact CZ-CH2 3.85Å; F539-W552 HydrophobicContact CZ-CH2 3.85Å; F539-W552 HydrophobicContact CZ-CZ3 4.15Å; I548-W552 HydrophobicContact CG2-CD2 3.58Å; I548-W552 HydrophobicContact CG2-CE3 3.95Å; I548-W552 HydrophobicContact CG2-CG 4.2Å; I548-W552 HydrophobicContact CG2-CH2 3.75Å; I548-W552 HydrophobicContact CG2-CZ2 3.33Å; I548-W552 HydrophobicContact CG2-CZ3 4.02Å; I548-W552 WeakPolarHBondContact O-CB 3.24Å; I548-W552 VanDerWaalsContact O-CG 3.3Å; I548-W552 PolarHBondContact O-N 3.46Å; V549-W552 PolarHBondContact O-N 2.85Å; A550-W552 PolarHBondContact O-N 2.9Å; W552-G556 PolarHBondContact O-N 3.46Å; W552-I557 HydrophobicContact CB-CB 4.45Å; W552-I557 PolarHBondContact O-N 3.14Å; W552-L558 HydrophobicContact CB-CB 4.45Å; W552-L558 HydrophobicContact CE3-CD1 4.5Å; W552-L558 PolarHBondContact O-N 3.08Å; W552-F621 HydrophobicContact CH2-CE2 4.35Å; W552-F621 HydrophobicContact CH2-CZ 4.37Å
553Y93.9Very high92.7Very high159 Ų15959.5 Ų59.562%0.62430%0.298SS*.Hα-helixtrans-68.8-49.1172.5-178.2-100.5000110.8V549 A550 S551 Q555 G556 L558V549-Y553 PolarHBondContact O-N 3.24Å; A550-Y553 WeakPolarHBondContact O-CB 3.31Å; A550-Y553 PolarHBondContact O-N 3.48Å; S551-Y553 VanDerWaalsContact C-N 3.29Å; S551-Y553 PolarHBondContact O-N 3.42Å; Y553-Q555 VanDerWaalsContact C-N 3.27Å; Y553-Q555 PolarHBondContact O-N 3.34Å; Y553-G556 PolarHBondContact O-N 3.33Å; Y553-L558 HydrophobicContact CD2-CD2 4.24Å
554E92.8Very high92.9Very high158 Ų15859.4 Ų59.474%0.73830%0.295SS*.Hα-helixtrans-59.8-35.5177.5-69.6175.317900113.2A550 S551 G556A550-E554 PolarHBondContact O-N 2.89Å; A550-E554 VanDerWaalsContact O-N 3.1Å; S551-E554 PolarHBondContact O-N 3.37Å; E554-G556 VanDerWaalsContact C-N 3.31Å
555Q90.2Very high93.2Very high72 Ų7259.6 Ų59.634%0.33630%0.296SS..THydrogen-bonded Turntrans-80.7-6.6177.9-67.8176.437.200113.9S551 Y553 I557S551-Q555 WeakPolarHBondContact O-CB 3.33Å; S551-Q555 VanDerWaalsContact O-CG 3.27Å; S551-Q555 WeakPolarHBondContact O-CG 3.26Å; S551-Q555 PolarHBondContact O-N 3.43Å; S551-Q555 PolarHBondContact OG-NE2 2.93Å; Y553-Q555 VanDerWaalsContact C-N 3.27Å; Y553-Q555 PolarHBondContact O-N 3.34Å; Q555-I557 HydrophobicContact CB-CD1 4.13Å; Q555-I557 HydrophobicContact CB-CG1 4.02Å; Q555-I557 PolarHBondContact O-N 3.45Å
556G92.3Very high93.3Very high24 Ų2462.5 Ų62.525%0.24731%0.311CS..THydrogen-bonded Turntrans70.412.4-176.300000114.9W552 Y553 E554 N560W552-G556 PolarHBondContact O-N 3.46Å; Y553-G556 PolarHBondContact O-N 3.33Å; E554-G556 VanDerWaalsContact C-N 3.31Å; G556-N560 PolarHBondContact O-ND2 2.69Å
557I93.3Very high93.5Very high15 Ų1558.8 Ų58.88%0.07729%0.294CS..Hα-helixtrans-70.5-39.5176.5-60.6174.9000109.7R518 W552 Q555 E559 N560 I561R518-I557 HydrophobicContact CG-CD1 4.32Å; W552-I557 HydrophobicContact CB-CB 4.45Å; W552-I557 PolarHBondContact O-N 3.14Å; Q555-I557 HydrophobicContact CB-CD1 4.13Å; Q555-I557 HydrophobicContact CB-CG1 4.02Å; Q555-I557 PolarHBondContact O-N 3.45Å; I557-E559 VanDerWaalsContact C-N 3.31Å; I557-E559 PolarHBondContact O-N 3Å; I557-N560 PolarHBondContact O-N 3.34Å; I557-N560 VanDerWaalsContact O-N 3.08Å; I557-I561 HydrophobicContact CG2-CD1 3.94Å; I557-I561 HydrophobicContact CG2-CG1 4.34Å; I557-I561 WeakPolarHBondContact O-CG1 3.38Å; I557-I561 PolarHBondContact O-N 3.02Å; I557-I561 VanDerWaalsContact O-N 3.08Å
558L93.8Very high93.7Very high17 Ų1755.9 Ų55.99%0.08928%0.277CS..Hα-helixtrans-61.7-38.4-175.8-161.670.5000112.4V549 W552 Y553 N560 I561 Q562 I567V549-L558 HydrophobicContact CG1-CD2 4.45Å; W552-L558 HydrophobicContact CB-CB 4.45Å; W552-L558 HydrophobicContact CE3-CD1 4.5Å; W552-L558 PolarHBondContact O-N 3.08Å; Y553-L558 HydrophobicContact CD2-CD2 4.24Å; L558-N560 VanDerWaalsContact C-N 3.3Å; L558-N560 PolarHBondContact O-N 3Å; L558-I561 PolarHBondContact O-N 3.34Å; L558-Q562 WeakPolarHBondContact O-CG 3.41Å; L558-Q562 PolarHBondContact O-N 2.98Å; L558-I567 HydrophobicContact CD1-CD1 3.36Å; L558-I567 HydrophobicContact CG-CD1 3.89Å
559E93.8Very high93.7Very high107 Ų10759.2 Ų59.250%0.529%0.294SS..Hα-helixtrans-61.9-38.2175.7-65.1-174175.100112I557 Q562 K563I557-E559 VanDerWaalsContact C-N 3.31Å; I557-E559 PolarHBondContact O-N 3Å; E559-Q562 PolarHBondContact O-N 3.25Å; E559-K563 WeakPolarHBondContact O-CG 3.29Å; E559-K563 PolarHBondContact O-N 3.43Å; E559-K563 VanDerWaalsContact O-N 3.1Å
560N94.4Very high93.6Very high63 Ų6358.3 Ų58.334%0.33729%0.288SS..Hα-helixtrans-70.6-35.3177.5-66.1-36.4000111.9L525 G556 I557 L558 K563L525-N560 HydrophobicContact CD1-CB 3.73Å; L525-N560 HydrophobicContact CD2-CB 4.29Å; G556-N560 PolarHBondContact O-ND2 2.69Å; I557-N560 PolarHBondContact O-N 3.34Å; I557-N560 VanDerWaalsContact O-N 3.08Å; L558-N560 VanDerWaalsContact C-N 3.3Å; L558-N560 PolarHBondContact O-N 3Å; N560-K563 PolarHBondContact O-N 2.91Å; N560-K563 PolarHBondContact OD1-NZ 3.5Å
561I94.4Very high93.4Very high0 Ų058.2 Ų58.20%028%0.283CS..Hα-helixtrans-65.5-42.7172.7-62170.6000110.1L524 L525 I557 L558 K563 N564 K565 I567 I595L524-I561 HydrophobicContact CB-CD1 4.28Å; L524-I561 HydrophobicContact CD2-CD1 3.93Å; L524-I561 HydrophobicContact CG-CD1 4.09Å; L525-I561 HydrophobicContact CB-CG1 4.09Å; L525-I561 HydrophobicContact CD1-CG1 3.89Å; I557-I561 HydrophobicContact CG2-CD1 3.94Å; I557-I561 HydrophobicContact CG2-CG1 4.34Å; I557-I561 WeakPolarHBondContact O-CG1 3.38Å; I557-I561 PolarHBondContact O-N 3.02Å; I557-I561 VanDerWaalsContact O-N 3.08Å; L558-I561 PolarHBondContact O-N 3.34Å; I561-K563 VanDerWaalsContact C-N 3.26Å; I561-K563 PolarHBondContact O-N 3.37Å; I561-N564 WeakPolarHBondContact O-CB 3.44Å; I561-N564 PolarHBondContact O-N 3.19Å; I561-K565 PolarHBondContact O-N 3.43Å; I561-I567 HydrophobicContact CB-CD1 4.03Å; I561-I567 HydrophobicContact CG2-CD1 3.64Å; I561-I567 HydrophobicContact CG2-CG1 4.05Å; I561-I595 HydrophobicContact CG2-CD1 3.49Å; I561-I595 VanDerWaalsContact CG2-CD1 3.49Å
562Q93.8Very high93Very high105 Ų10562.7 Ų62.749%0.49130%0.303SS..Hα-helixtrans-62.3-30178.1-76.1-178.5-11.400113.7L558 E559 N564 K565 I567L558-Q562 WeakPolarHBondContact O-CG 3.41Å; L558-Q562 PolarHBondContact O-N 2.98Å; E559-Q562 PolarHBondContact O-N 3.25Å; Q562-N564 PolarHBondContact O-N 3.22Å; Q562-K565 WeakPolarHBondContact CA-O 3.26Å; Q562-I567 HydrophobicContact CG-CD1 3.71Å; Q562-I567 HydrophobicContact CG-CG1 4.11Å
563K93.5Very high92.7Very high153 Ų15366.8 Ų66.867%0.66533%0.325SS*.Hα-helixtrans-63.2-32.4172-71169.7-168.1162.40112E559 N560 I561E559-K563 WeakPolarHBondContact O-CG 3.29Å; E559-K563 PolarHBondContact O-N 3.43Å; E559-K563 VanDerWaalsContact O-N 3.1Å; N560-K563 PolarHBondContact O-N 2.91Å; N560-K563 PolarHBondContact OD1-NZ 3.5Å; I561-K563 VanDerWaalsContact C-N 3.26Å; I561-K563 PolarHBondContact O-N 3.37Å
564N93.2Very high92.1Very high68 Ų6861.3 Ų61.336%0.36431%0.313SS..Hα-helixtrans-86.6-48.4-179.6-64-16.3000112.1S528 I561 Q562S528-N564 PolarHBondContact OG-ND2 2.87Å; I561-N564 WeakPolarHBondContact O-CB 3.44Å; I561-N564 PolarHBondContact O-N 3.19Å; Q562-N564 PolarHBondContact O-N 3.22Å
565K95.2Very high91.9Very high17 Ų1757 Ų577%0.07430%0.304CS..SBendtrans-148153.9-174.1-66.5-176.1-173.1-71.70112S528 V531 D533 I535 I561 Q562 I595S528-K565 VanDerWaalsContact O-CE 3.22Å; S528-K565 WeakPolarHBondContact O-CE 3.42Å; V531-K565 WeakPolarHBondContact O-CE 3.34Å; V531-K565 PolarHBondContact O-NZ 3.48Å; D533-K565 PolarHBondContact O-NZ 3.39Å; I535-K565 HydrophobicContact CD1-CD 4.29Å; I561-K565 PolarHBondContact O-N 3.43Å; Q562-K565 WeakPolarHBondContact CA-O 3.26Å; K565-I595 HydrophobicContact CB-CD1 3.99Å; K565-I595 HydrophobicContact CB-CG1 3.76Å; K565-I595 HydrophobicContact CD-CD1 4.17Å; K565-I595 HydrophobicContact CD-CG1 3.76Å; K565-I595 HydrophobicContact CG-CG1 4.4Å
566L95.1Very high91.8Very high63 Ų6358.8 Ų58.833%0.3331%0.312SS..EExtended strand (participates in β ladder)trans-72.4141.3174.1-62.8179.3000111F568 A587 R592 G593 A594 I595L566-F568 HydrophobicContact CB-CE2 3.88Å; L566-F568 HydrophobicContact CB-CZ 4.3Å; L566-A587 HydrophobicContact CD1-CB 4.03Å; L566-R592 HydrophobicContact CD1-CB 4.49Å; L566-G593 PolarHBondContact N-O 3.09Å; L566-G593 VanDerWaalsContact N-O 3.16Å; L566-A594 CarbonylContact O-C 3.58Å; L566-A594 WeakPolarHBondContact O-CA 3.44Å; L566-I595 PolarHBondContact O-N 2.82Å
567I95.1Very high91.6Very high31 Ų3158.1 Ų58.116%0.15930%0.304CS..EExtended strand (participates in β ladder)trans-108.9128.8-177.7-53.4178000109.1L558 I561 Q562 I569 L597L558-I567 HydrophobicContact CD1-CD1 3.36Å; L558-I567 HydrophobicContact CG-CD1 3.89Å; I561-I567 HydrophobicContact CB-CD1 4.03Å; I561-I567 HydrophobicContact CG2-CD1 3.64Å; I561-I567 HydrophobicContact CG2-CG1 4.05Å; Q562-I567 HydrophobicContact CG-CD1 3.71Å; Q562-I567 HydrophobicContact CG-CG1 4.11Å; I567-I569 HydrophobicContact CG2-CG1 4.2Å; I567-L597 HydrophobicContact CG2-CD1 3.9Å; I567-L597 HydrophobicContact CG2-CG 4.05Å
568F95.3Very high91.4Very high39 Ų3961 Ų6117%0.17133%0.325CS..EExtended strand (participates in β ladder)trans-120.5134.3172.8-61.1-81.9000108.6L566 K583 Y584 A587 A594 I595 L596 L597L566-F568 HydrophobicContact CB-CE2 3.88Å; L566-F568 HydrophobicContact CB-CZ 4.3Å; F568-K583 HydrophobicContact CD1-CB 4.29Å; F568-K583 HydrophobicContact CE1-CB 3.51Å; F568-K583 HydrophobicContact CZ-CB 3.9Å; F568-K583 WeakPolarHBondContact CZ-O 3.3Å; F568-Y584 AromaticContact CD2-CD2 3.95Å; F568-Y584 HydrophobicContact CD2-CD2 3.95Å; F568-Y584 HydrophobicContact CD2-CG 4.46Å; F568-A587 HydrophobicContact CE2-CB 3.98Å; F568-A587 HydrophobicContact CZ-CB 4.23Å; F568-A594 HydrophobicContact CD2-CB 4.13Å; F568-A594 HydrophobicContact CE2-CB 3.9Å; F568-I595 PolarHBondContact N-O 2.94Å; F568-L596 HydrophobicContact CB-CD1 4.03Å; F568-L597 PolarHBondContact O-N 3.31Å
569I92.8Very high91.2Very high71 Ų7166.3 Ų66.336%0.36435%0.351SS..EExtended strand (participates in β ladder)trans-116.6130.4-175.3-54.5176.2000108.3M545 V549 I567 L597M545-I569 HydrophobicContact CE-CG2 3.72Å; M545-I569 HydrophobicContact SD-CG2 4.24Å; V549-I569 HydrophobicContact CG1-CD1 3.98Å; I567-I569 HydrophobicContact CG2-CG1 4.2Å; I569-L597 HydrophobicContact CG1-CD1 4.27Å
570E91.4Very high91.1Very high2 Ų262 Ų621%0.00933%0.334CS..  trans-70.6129.9172.5-174.1-173.6170.400110.5Y542 M545 T577 L597 S598 V599 K603 V604Y542-E570 HydrophobicContact CE1-CG 4.18Å; Y542-E570 PolarHBondContact OH-OE1 3.37Å; M545-E570 VanDerWaalsContact CE-O 3.29Å; M545-E570 WeakPolarHBondContact CE-O 3.41Å; E570-T577 HydrophobicContact CG-CG2 4.02Å; E570-L597 WeakPolarHBondContact CB-O 3.4Å; E570-L597 PolarHBondContact N-O 3.42Å; E570-S598 VanDerWaalsContact OE2-CA 3.24Å; E570-S598 WeakPolarHBondContact OE2-CA 3.32Å; E570-S598 WeakPolarHBondContact OE2-CB 3.39Å; E570-V599 PolarHBondContact OE2-N 3.07Å; E570-K603 PolarHBondContact OE1-N 3.04Å; E570-V604 HydrophobicContact CG-CG2 3.86Å
571T89.2Confident91Very high48 Ų4860.1 Ų60.129%0.29432%0.324SS..  trans-107.3169170.166.20000110.3D573 E576 T577T571-D573 PolarHBondContact O-N 2.9Å; T571-E576 WeakPolarHBondContact CB-OE2 3.19Å; T571-E576 WeakPolarHBondContact CG2-OE2 3.29Å; T571-E576 WeakPolarHBondContact OG1-CB 2.91Å; T571-E576 PolarHBondContact OG1-OE2 2.94Å; T571-T577 PolarHBondContact O-OG1 3.22Å
572Q85.9Confident90.8Very high104 Ų10465.4 Ų65.449%0.48635%0.348SS..SBendtrans-70.6-20.8177.5-66.9175.822.500112.2Y542 K603Y542-Q572 HydrophobicContact CD1-CG 4.17Å; Y542-Q572 HydrophobicContact CD2-CG 4.16Å; Y542-Q572 HydrophobicContact CE1-CG 4.21Å; Y542-Q572 HydrophobicContact CE2-CG 4.18Å; Y542-Q572 HydrophobicContact CG-CG 4.17Å; Q572-K603 PolarHBondContact O-NZ 3.46Å; Q572-K603 VanDerWaalsContact O-NZ 3.09Å
573D88.4Confident90.8Very high86 Ų8664.7 Ų64.746%0.4634%0.344SS..  trans-75.7133.2178.1-169.716.5000111.5T571 A575 E576 T577T571-D573 PolarHBondContact O-N 2.9Å; D573-A575 PolarHBondContact OD1-N 3.02Å; D573-E576 HydrophobicContact CB-CB 4.37Å; D573-E576 HydrophobicContact CB-CG 4.37Å; D573-T577 VanDerWaalsContact O-CB 3.29Å; D573-T577 WeakPolarHBondContact O-CB 3.41Å; D573-T577 PolarHBondContact O-N 3.46Å; D573-T577 VanDerWaalsContact O-N 3.13Å; D573-T577 PolarHBondContact O-OG1 2.77Å
574A80.9Confident90.8Very high45 Ų4557.4 Ų57.437%0.37231%0.312SS..Hα-helixtrans-72.4-34.6-177.600000112.2S578A574-S578 WeakPolarHBondContact O-CB 3.41Å; A574-S578 PolarHBondContact O-N 2.9Å; A574-S578 PolarHBondContact O-OG 3.15Å
575A87Confident90.8Very high68 Ų6857.2 Ų57.256%0.56231%0.309SS*.Hα-helixtrans-68.9-49.3-178.300000111D573 S578 M579D573-A575 PolarHBondContact OD1-N 3.02Å; A575-S578 PolarHBondContact O-N 3.13Å; A575-M579 PolarHBondContact O-N 3.36Å; A575-M579 VanDerWaalsContact O-N 3.07Å
576E89.6Confident90.7Very high108 Ų10859.7 Ų59.751%0.50532%0.321SS..Hα-helixtrans-60.4-45.1174.9-69.5-175.6166.700112.1T571 D573 S578 M579 A580T571-E576 WeakPolarHBondContact CB-OE2 3.19Å; T571-E576 WeakPolarHBondContact CG2-OE2 3.29Å; T571-E576 WeakPolarHBondContact OG1-CB 2.91Å; T571-E576 PolarHBondContact OG1-OE2 2.94Å; D573-E576 HydrophobicContact CB-CB 4.37Å; D573-E576 HydrophobicContact CB-CG 4.37Å; E576-S578 VanDerWaalsContact C-N 3.29Å; E576-S578 PolarHBondContact O-N 3.22Å; E576-M579 PolarHBondContact O-N 3.28Å; E576-A580 WeakPolarHBondContact O-CB 3.46Å; E576-A580 PolarHBondContact O-N 3.29Å
577T88.1Confident90.6Very high11 Ų1157.1 Ų57.17%0.06731%0.308CS..Hα-helixtrans-61.1-38.6177.9-620000112.1E570 T571 D573 A580 L581 V604E570-T577 HydrophobicContact CG-CG2 4.02Å; T571-T577 PolarHBondContact O-OG1 3.22Å; D573-T577 VanDerWaalsContact O-CB 3.29Å; D573-T577 WeakPolarHBondContact O-CB 3.41Å; D573-T577 PolarHBondContact O-N 3.46Å; D573-T577 VanDerWaalsContact O-N 3.13Å; D573-T577 PolarHBondContact O-OG1 2.77Å; T577-A580 PolarHBondContact O-N 3.23Å; T577-L581 WeakPolarHBondContact O-CB 3.48Å; T577-L581 PolarHBondContact O-N 3.09Å; T577-V604 HydrophobicContact CG2-CG2 3.52Å
578S87.8Confident90.4Very high76 Ų7655.8 Ų55.853%0.53130%0.302SS..Hα-helixtrans-66.1-43.1177.6-56.40000111.2A574 A575 E576 L581 E582A574-S578 WeakPolarHBondContact O-CB 3.41Å; A574-S578 PolarHBondContact O-N 2.9Å; A574-S578 PolarHBondContact O-OG 3.15Å; A575-S578 PolarHBondContact O-N 3.13Å; E576-S578 VanDerWaalsContact C-N 3.29Å; E576-S578 PolarHBondContact O-N 3.22Å; S578-L581 PolarHBondContact O-N 3.07Å; S578-E582 PolarHBondContact O-N 2.72Å
579M90.9Very high90.2Very high127 Ų12760.1 Ų60.163%0.62632%0.323SS*.Hα-helixtrans-64.6-42.8175.2180179.4-86.300111.8A575 E576 L581 E582 K583A575-M579 PolarHBondContact O-N 3.36Å; A575-M579 VanDerWaalsContact O-N 3.07Å; E576-M579 PolarHBondContact O-N 3.28Å; M579-L581 VanDerWaalsContact C-N 3.29Å; M579-L581 PolarHBondContact O-N 3.43Å; M579-E582 PolarHBondContact O-N 3.36Å; M579-K583 WeakPolarHBondContact O-CG 3.22Å; M579-K583 PolarHBondContact O-N 2.96Å
580A92.1Very high90.2Very high18 Ų1862.8 Ų62.815%0.14934%0.338CS..Hα-helixtrans-61.7-39177.300000111.6E576 T577 Y584E576-A580 WeakPolarHBondContact O-CB 3.46Å; E576-A580 PolarHBondContact O-N 3.29Å; T577-A580 PolarHBondContact O-N 3.23Å; A580-Y584 VanDerWaalsContact O-CB 3.27Å; A580-Y584 WeakPolarHBondContact O-CB 3.38Å; A580-Y584 PolarHBondContact O-N 2.96Å
581L90.5Very high89.9Confident22 Ų2265.7 Ų65.712%0.11537%0.368CS..Hα-helixtrans-67.9-43.5176.5-172.877000112.5T577 S578 M579 K583 Y584 Q585 L596 I608 F610T577-L581 WeakPolarHBondContact O-CB 3.48Å; T577-L581 PolarHBondContact O-N 3.09Å; S578-L581 PolarHBondContact O-N 3.07Å; M579-L581 VanDerWaalsContact C-N 3.29Å; M579-L581 PolarHBondContact O-N 3.43Å; L581-K583 VanDerWaalsContact C-N 3.33Å; L581-K583 PolarHBondContact O-N 2.82Å; L581-Y584 WeakPolarHBondContact O-CB 3.44Å; L581-Y584 PolarHBondContact O-N 3.42Å; L581-Q585 WeakPolarHBondContact O-CG 3.32Å; L581-Q585 PolarHBondContact O-N 3Å; L581-L596 HydrophobicContact CD1-CD2 4.1Å; L581-I608 HydrophobicContact CD1-CD1 4.21Å; L581-I608 HydrophobicContact CD1-CG2 3.91Å; L581-I608 HydrophobicContact CD2-CD1 3.41Å; L581-I608 VanDerWaalsContact CD2-CD1 3.41Å; L581-I608 HydrophobicContact CD2-CG1 3.85Å; L581-I608 HydrophobicContact CD2-CG2 3.84Å; L581-I608 HydrophobicContact CG-CD1 4.33Å; L581-I608 HydrophobicContact CG-CG2 4.49Å; L581-F610 HydrophobicContact CD1-CE1 4.33Å
582E91.3Very high89.8Confident111 Ų11171.9 Ų71.952%0.51939%0.386SS..Hα-helixtrans-59.9-46.6177-173.5178.6-169.900110.3S578 M579 Y584 Q585 E586S578-E582 PolarHBondContact O-N 2.72Å; M579-E582 PolarHBondContact O-N 3.36Å; E582-Y584 VanDerWaalsContact C-N 3.34Å; E582-Y584 PolarHBondContact O-N 3.33Å; E582-Q585 PolarHBondContact O-N 2.71Å; E582-E586 WeakPolarHBondContact O-CG 3.16Å; E582-E586 PolarHBondContact O-N 3.41Å
583K93.8Very high90Very high90 Ų9067 Ų6739%0.39136%0.364SS..Hα-helixtrans-67.5-31.4175.9-63.8-46.1-176.7-1670113.8F568 M579 L581 E586 A587F568-K583 HydrophobicContact CD1-CB 4.29Å; F568-K583 HydrophobicContact CE1-CB 3.51Å; F568-K583 HydrophobicContact CZ-CB 3.9Å; F568-K583 WeakPolarHBondContact CZ-O 3.3Å; M579-K583 WeakPolarHBondContact O-CG 3.22Å; M579-K583 PolarHBondContact O-N 2.96Å; L581-K583 VanDerWaalsContact C-N 3.33Å; L581-K583 PolarHBondContact O-N 2.82Å; K583-E586 WeakPolarHBondContact CD-OE2 3.44Å; K583-E586 IonicContact NZ-OE1 2.98Å; K583-E586 PolarHBondContact NZ-OE1 2.95Å; K583-E586 IonicContact NZ-OE2 3.3Å; K583-E586 PolarHBondContact NZ-OE2 3.25Å; K583-A587 VanDerWaalsContact O-CB 3.24Å; K583-A587 WeakPolarHBondContact O-CB 3.47Å; K583-A587 PolarHBondContact O-N 3.01Å
584Y94.2Very high90.3Very high0 Ų063 Ų630%034%0.342CS..Hα-helixtrans-62.4-46.2171.3171.9-95.6000111.9G534 F568 A580 L581 E582 A587 C588 A594 L596 F610 F614G534-Y584 WeakPolarHBondContact CA-OH 3.35Å; F568-Y584 AromaticContact CD2-CD2 3.95Å; F568-Y584 HydrophobicContact CD2-CD2 3.95Å; F568-Y584 HydrophobicContact CD2-CG 4.46Å; A580-Y584 VanDerWaalsContact O-CB 3.27Å; A580-Y584 WeakPolarHBondContact O-CB 3.38Å; A580-Y584 PolarHBondContact O-N 2.96Å; L581-Y584 WeakPolarHBondContact O-CB 3.44Å; L581-Y584 PolarHBondContact O-N 3.42Å; E582-Y584 VanDerWaalsContact C-N 3.34Å; E582-Y584 PolarHBondContact O-N 3.33Å; Y584-A587 PolarHBondContact O-N 2.77Å; Y584-C588 PolarHBondContact O-N 3.46Å; Y584-C588 VanDerWaalsContact O-N 3.13Å; Y584-C588 PolarHBondContact O-SG 3.43Å; Y584-A594 HydrophobicContact CD2-CB 3.4Å; Y584-A594 VanDerWaalsContact CD2-CB 3.4Å; Y584-A594 HydrophobicContact CE2-CB 3.55Å; Y584-A594 HydrophobicContact CG-CB 4.31Å; Y584-L596 HydrophobicContact CD2-CB 3.75Å; Y584-L596 HydrophobicContact CE2-CB 3.64Å; Y584-L596 HydrophobicContact CG-CB 4.32Å; Y584-F610 HydrophobicContact CE1-CD1 4.34Å; Y584-F610 HydrophobicContact CE1-CE1 4.33Å; Y584-F614 HydrophobicContact CE1-CB 4.44Å; Y584-F614 WeakPolarHBondContact CE1-O 3.38Å; Y584-F614 PolarHBondContact OH-O 2.92Å
585Q91.6Very high91Very high65 Ų6560.8 Ų60.830%0.30432%0.324SS..Hα-helixtrans-64.3-48.8178.2-70.8174-7.700111L581 E582 A587 C588 E589 F614L581-Q585 WeakPolarHBondContact O-CG 3.32Å; L581-Q585 PolarHBondContact O-N 3Å; E582-Q585 PolarHBondContact O-N 2.71Å; Q585-A587 VanDerWaalsContact C-N 3.28Å; Q585-A587 PolarHBondContact O-N 3.22Å; Q585-C588 WeakPolarHBondContact O-CB 3.5Å; Q585-C588 PolarHBondContact O-N 3.14Å; Q585-C588 VanDerWaalsContact O-N 3.09Å; Q585-E589 PolarHBondContact O-N 2.97Å; Q585-E589 VanDerWaalsContact O-N 3.1Å; Q585-F614 HydrophobicContact CB-CD1 4.44Å; Q585-F614 HydrophobicContact CB-CE1 3.91Å; Q585-F614 HydrophobicContact CB-CZ 4.35Å; Q585-F614 HydrophobicContact CG-CD1 4.22Å; Q585-F614 HydrophobicContact CG-CE1 4.05Å; Q585-F614 HydrophobicContact CG-CZ 4.36Å
586E93.1Very high91.4Very high69 Ų6957.8 Ų57.832%0.32230%0.298SS..Hα-helixtrans-55.7-42.3175.4-72.9177.6-164.200111.9E582 K583 C588 E589 N590E582-E586 WeakPolarHBondContact O-CG 3.16Å; E582-E586 PolarHBondContact O-N 3.41Å; K583-E586 WeakPolarHBondContact CD-OE2 3.44Å; K583-E586 IonicContact NZ-OE1 2.98Å; K583-E586 PolarHBondContact NZ-OE1 2.95Å; K583-E586 IonicContact NZ-OE2 3.3Å; K583-E586 PolarHBondContact NZ-OE2 3.25Å; E586-C588 VanDerWaalsContact C-N 3.32Å; E586-C588 PolarHBondContact O-N 3.43Å; E586-E589 PolarHBondContact O-N 3.32Å; E586-N590 VanDerWaalsContact O-CB 3.31Å; E586-N590 WeakPolarHBondContact O-CB 3.41Å; E586-N590 PolarHBondContact O-N 3.21Å; E586-N590 PolarHBondContact O-ND2 3.48Å
587A93.6Very high91.7Very high8 Ų852.7 Ų52.77%0.06628%0.275CS..Hα-helixtrans-67.8-31-179.900000113.3L566 F568 K583 Y584 Q585 G593 A594L566-A587 HydrophobicContact CD1-CB 4.03Å; F568-A587 HydrophobicContact CE2-CB 3.98Å; F568-A587 HydrophobicContact CZ-CB 4.23Å; K583-A587 VanDerWaalsContact O-CB 3.24Å; K583-A587 WeakPolarHBondContact O-CB 3.47Å; K583-A587 PolarHBondContact O-N 3.01Å; Y584-A587 PolarHBondContact O-N 2.77Å; Q585-A587 VanDerWaalsContact C-N 3.28Å; Q585-A587 PolarHBondContact O-N 3.22Å; A587-G593 PolarHBondContact O-N 3.17Å; A587-A594 HydrophobicContact CB-CB 3.9Å
588C91.3Very high92Very high4 Ų452.1 Ų52.13%0.02727%0.271CS..Hα-helixtrans-71.8-38.3174.8-66.90000111.6Y584 Q585 E586 F614Y584-C588 PolarHBondContact O-N 3.46Å; Y584-C588 VanDerWaalsContact O-N 3.13Å; Y584-C588 PolarHBondContact O-SG 3.43Å; Q585-C588 WeakPolarHBondContact O-CB 3.5Å; Q585-C588 PolarHBondContact O-N 3.14Å; Q585-C588 VanDerWaalsContact O-N 3.09Å; E586-C588 VanDerWaalsContact C-N 3.32Å; E586-C588 PolarHBondContact O-N 3.43Å; C588-F614 HydrophobicContact CB-CD1 3.83Å; C588-F614 HydrophobicContact CB-CE1 4.14Å
589E91.6Very high92.2Very high130 Ų13048.7 Ų48.761%0.60725%0.247SC*.Hα-helixtrans-73.9-34.8179-68.6177.317500112.5Q585 E586 G591 F614Q585-E589 PolarHBondContact O-N 2.97Å; Q585-E589 VanDerWaalsContact O-N 3.1Å; E586-E589 PolarHBondContact O-N 3.32Å; E589-G591 PolarHBondContact O-N 3.34Å; E589-F614 HydrophobicContact CG-CE1 4.06Å; E589-F614 HydrophobicContact CG-CZ 4.33Å; E589-F614 WeakPolarHBondContact OE1-CZ 3.39Å
590N91.3Very high92.1Very high127 Ų12742.7 Ų42.768%0.67922%0.217SC*.THydrogen-bonded Turntrans-76.50.5179.5-69.6-34.7000114.1E586 R592E586-N590 VanDerWaalsContact O-CB 3.31Å; E586-N590 WeakPolarHBondContact O-CB 3.41Å; E586-N590 PolarHBondContact O-N 3.21Å; E586-N590 PolarHBondContact O-ND2 3.48Å; N590-R592 VanDerWaalsContact C-N 3.35Å; N590-R592 PolarHBondContact O-N 3.21Å
591G85.8Confident91.8Very high62 Ų6245.2 Ų45.264%0.63922%0.223SC*.THydrogen-bonded Turntrans79.92.617300000116.4E589E589-G591 PolarHBondContact O-N 3.34Å
592R86.3Confident91.4Very high179 Ų17944.3 Ų44.368%0.67522%0.22SC*.SBendtrans-72.3-30.5171.8-91-103.2-175.9162.80.3112.3L566 N590L566-R592 HydrophobicContact CD1-CB 4.49Å; N590-R592 VanDerWaalsContact C-N 3.35Å; N590-R592 PolarHBondContact O-N 3.21Å
593G90.6Very high90.7Very high2 Ų244.4 Ų44.42%0.02122%0.218CC..  trans75.8150.4-170.600000112.3D533 L566 A587D533-G593 WeakPolarHBondContact O-CA 3.48Å; L566-G593 PolarHBondContact N-O 3.09Å; L566-G593 VanDerWaalsContact N-O 3.16Å; A587-G593 PolarHBondContact O-N 3.17Å
594A95.3Very high90.1Very high0 Ų040.2 Ų40.20%020%0.2CC..EExtended strand (participates in β ladder)trans-141.8155.5-173.300000111.8D533 G534 I535 L566 F568 Y584 A587D533-A594 PolarHBondContact O-N 3.24Å; D533-A594 VanDerWaalsContact O-N 3.12Å; G534-A594 CarbonylContact C-O 3.5Å; G534-A594 WeakPolarHBondContact CA-O 3.22Å; I535-A594 PolarHBondContact N-O 2.7Å; L566-A594 CarbonylContact O-C 3.58Å; L566-A594 WeakPolarHBondContact O-CA 3.44Å; F568-A594 HydrophobicContact CD2-CB 4.13Å; F568-A594 HydrophobicContact CE2-CB 3.9Å; Y584-A594 HydrophobicContact CD2-CB 3.4Å; Y584-A594 VanDerWaalsContact CD2-CB 3.4Å; Y584-A594 HydrophobicContact CE2-CB 3.55Å; Y584-A594 HydrophobicContact CG-CB 4.31Å; A587-A594 HydrophobicContact CB-CB 3.9Å
595I96Very high89.4Confident0 Ų040.2 Ų40.20%020%0.2CC..EExtended strand (participates in β ladder)trans-125.9123.5175.1-55.3-177.8000107.7L524 I535 I561 K565 L566 F568 L597L524-I595 HydrophobicContact CD1-CD1 4.36Å; L524-I595 HydrophobicContact CD1-CG2 4.21Å; I535-I595 HydrophobicContact CB-CG1 4.22Å; I535-I595 HydrophobicContact CB-CG2 4.4Å; I535-I595 HydrophobicContact CD1-CD1 4.48Å; I535-I595 HydrophobicContact CD1-CG1 4.5Å; I535-I595 HydrophobicContact CG2-CG2 4.49Å; I535-I595 CarbonylContact O-C 3.57Å; I535-I595 VanDerWaalsContact O-CA 3.28Å; I535-I595 WeakPolarHBondContact O-CA 3.3Å; I561-I595 HydrophobicContact CG2-CD1 3.49Å; I561-I595 VanDerWaalsContact CG2-CD1 3.49Å; K565-I595 HydrophobicContact CB-CD1 3.99Å; K565-I595 HydrophobicContact CB-CG1 3.76Å; K565-I595 HydrophobicContact CD-CD1 4.17Å; K565-I595 HydrophobicContact CD-CG1 3.76Å; K565-I595 HydrophobicContact CG-CG1 4.4Å; L566-I595 PolarHBondContact O-N 2.82Å; F568-I595 PolarHBondContact N-O 2.94Å; I595-L597 HydrophobicContact CG2-CD2 3.71Å
596L95.4Very high88.5Confident4 Ų439.4 Ų39.42%0.02120%0.196CC..EExtended strand (participates in β ladder)trans-103.3110.4174.3-176.162.6000109.7I535 A537 F568 L581 Y584 V604 F610I535-L596 PolarHBondContact O-N 3.43Å; A537-L596 PolarHBondContact N-O 2.99Å; F568-L596 HydrophobicContact CB-CD1 4.03Å; L581-L596 HydrophobicContact CD1-CD2 4.1Å; Y584-L596 HydrophobicContact CD2-CB 3.75Å; Y584-L596 HydrophobicContact CE2-CB 3.64Å; Y584-L596 HydrophobicContact CG-CB 4.32Å; L596-V604 HydrophobicContact CD2-CG1 3.91Å; L596-F610 HydrophobicContact CD2-CE1 3.72Å; L596-F610 HydrophobicContact CD2-CZ 3.74Å
597L95.1Very high87.2Confident1 Ų137.5 Ų37.51%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-87.8115.5171.4-52-173.1000108.2L524 A537 F539 M545 V549 I567 F568 I569 E570 I595L524-L597 HydrophobicContact CD2-CD2 3.99Å; A537-L597 HydrophobicContact CB-CD2 3.75Å; F539-L597 HydrophobicContact CE2-CB 4.1Å; F539-L597 HydrophobicContact CE2-CD2 4.1Å; F539-L597 HydrophobicContact CE2-CG 4.46Å; M545-L597 HydrophobicContact SD-CB 4.21Å; V549-L597 HydrophobicContact CG2-CD1 3.79Å; I567-L597 HydrophobicContact CG2-CD1 3.9Å; I567-L597 HydrophobicContact CG2-CG 4.05Å; F568-L597 PolarHBondContact O-N 3.31Å; I569-L597 HydrophobicContact CG1-CD1 4.27Å; E570-L597 WeakPolarHBondContact CB-O 3.4Å; E570-L597 PolarHBondContact N-O 3.42Å; I595-L597 HydrophobicContact CG2-CD2 3.71Å
598S93.5Very high86.4Confident0 Ų038.9 Ų38.90%020%0.201CC..EExtended strand (participates in β ladder)trans-137.2171.8-172.855.30000111.3A537 F538 F539 E570A537-S598 PolarHBondContact O-N 3.31Å; A537-S598 PolarHBondContact O-OG 3.4Å; F538-S598 CarbonylContact C-O 3.54Å; F538-S598 VanDerWaalsContact CA-O 3.3Å; F538-S598 WeakPolarHBondContact CA-O 3.49Å; F538-S598 WeakPolarHBondContact CD1-OG 3.42Å; F538-S598 WeakPolarHBondContact CE1-OG 3.4Å; F539-S598 PolarHBondContact N-O 3.19Å; E570-S598 VanDerWaalsContact OE2-CA 3.24Å; E570-S598 WeakPolarHBondContact OE2-CA 3.32Å; E570-S598 WeakPolarHBondContact OE2-CB 3.39Å
599V92.7Very high85.7Confident4 Ų440.5 Ų40.52%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-107.7136.6179179.10000110.2Y542 M545 E570 R601 G602 S605Y542-V599 HydrophobicContact CD1-CG2 3.55Å; Y542-V599 HydrophobicContact CD2-CG1 4.45Å; Y542-V599 HydrophobicContact CD2-CG2 4.09Å; Y542-V599 HydrophobicContact CE1-CB 4.23Å; Y542-V599 HydrophobicContact CE1-CG2 3.63Å; Y542-V599 HydrophobicContact CE2-CB 4.22Å; Y542-V599 HydrophobicContact CE2-CG1 4.35Å; Y542-V599 HydrophobicContact CE2-CG2 4.16Å; Y542-V599 HydrophobicContact CG-CG2 3.78Å; M545-V599 HydrophobicContact CE-CG2 4.36Å; M545-V599 HydrophobicContact SD-CG2 4.27Å; E570-V599 PolarHBondContact OE2-N 3.07Å; V599-R601 PolarHBondContact O-N 3.5Å; V599-R601 VanDerWaalsContact O-N 3.08Å; V599-G602 WeakPolarHBondContact O-CA 3.49Å; V599-G602 PolarHBondContact O-N 3.5Å; V599-S605 WeakPolarHBondContact O-CB 3.46Å; V599-S605 PolarHBondContact O-OG 3.34Å
600A89.4Confident85.2Confident0 Ų034.4 Ų34.40%018%0.181CC..THydrogen-bonded Turntrans-64.2-14.2-17700000115F538 F539 S605 M620 P624 C663F538-A600 HydrophobicContact CB-CB 4.24Å; F539-A600 PolarHBondContact O-N 2.84Å; A600-S605 VanDerWaalsContact C-OG 3.28Å; A600-S605 PolarHBondContact O-OG 3.01Å; A600-S605 VanDerWaalsContact O-OG 3.08Å; A600-M620 HydrophobicContact CB-CE 3.82Å; A600-P624 HydrophobicContact CB-CB 3.78Å; A600-P624 HydrophobicContact CB-CG 4.35Å; A600-C663 VanDerWaalsContact CA-SG 3.58Å; A600-C663 PolarHBondContact O-SG 3.03Å; A600-C663 VanDerWaalsContact O-SG 3.38Å
601R85.2Confident84.7Confident71 Ų7131 Ų3127%0.26817%0.165SC..THydrogen-bonded Turntrans-118.612.9172.7-60-172.2-178.9-112.8-0.2112V599 P624 V626 D655 H659V599-R601 PolarHBondContact O-N 3.5Å; V599-R601 VanDerWaalsContact O-N 3.08Å; R601-P624 PolarHBondContact NE-O 3.21Å; R601-P624 PolarHBondContact NH2-O 3.22Å; R601-V626 VanDerWaalsContact NH2-CG2 3.27Å; R601-D655 IonicContact CZ-OD2 3.65Å; R601-D655 VanDerWaalsContact CZ-OD2 3.3Å; R601-D655 IonicContact NH1-OD1 3.15Å; R601-D655 IonicContact NH1-OD2 3.65Å; R601-D655 PolarHBondContact NH1-OD2 3.26Å; R601-D655 IonicContact NH2-OD2 2.66Å; R601-D655 PolarHBondContact NH2-OD2 3.45Å; R601-H659 PolarHBondContact NH1-CE1 3.32Å; R601-H659 PolarHBondContact NH1-ND1 3.07Å; R601-H659 PolarHBondContact NH1-NE2 2.82Å
602G82.2Confident84.6Confident4 Ų432 Ų324%0.04115%0.152CC..SBendtrans-80.3173.1177.300000111.4Y542 V599 V604 S605Y542-G602 WeakPolarHBondContact OH-CA 3.15Å; V599-G602 WeakPolarHBondContact O-CA 3.49Å; V599-G602 PolarHBondContact O-N 3.5Å; G602-V604 VanDerWaalsContact C-N 3.25Å; G602-V604 PolarHBondContact O-N 2.84Å; G602-S605 PolarHBondContact N-OG 3.3Å; G602-S605 PolarHBondContact O-N 3.41Å; G602-S605 PolarHBondContact O-OG 2.88Å
603K76.1Confident84.7Confident113 Ų11326.1 Ų26.149%0.49113%0.132SC..SBendtrans-64.9-34.7-177.8-66169.9-175.4158.40111.6E570 Q572 S605 E606 G607E570-K603 PolarHBondContact OE1-N 3.04Å; Q572-K603 PolarHBondContact O-NZ 3.46Å; Q572-K603 VanDerWaalsContact O-NZ 3.09Å; K603-S605 VanDerWaalsContact C-N 3.31Å; K603-S605 PolarHBondContact O-N 3.44Å; K603-E606 PolarHBondContact O-N 3.1Å; K603-E606 VanDerWaalsContact O-N 3.15Å; K603-G607 PolarHBondContact O-N 3.2Å; K603-G607 VanDerWaalsContact O-N 3.08Å
604V81.6Confident84.6Confident2 Ų227.3 Ų27.31%0.01214%0.137CC..Hα-helixtrans-61.1-41.2179.3177.80000111.6E570 T577 L596 G602 E606 I608 F610E570-V604 HydrophobicContact CG-CG2 3.86Å; T577-V604 HydrophobicContact CG2-CG2 3.52Å; L596-V604 HydrophobicContact CD2-CG1 3.91Å; G602-V604 VanDerWaalsContact C-N 3.25Å; G602-V604 PolarHBondContact O-N 2.84Å; V604-E606 PolarHBondContact O-N 3.38Å; V604-I608 HydrophobicContact CB-CD1 4.38Å; V604-I608 HydrophobicContact CG1-CD1 4.34Å; V604-I608 HydrophobicContact CG2-CD1 4.15Å; V604-F610 HydrophobicContact CG1-CE2 4.44Å; V604-F610 HydrophobicContact CG1-CZ 3.74Å
605S78.9Confident84.2Confident0 Ų027.3 Ų27.30%014%0.138CC..Hα-helixtrans-70.2-1317971.60000114.6V599 A600 G602 K603 R666V599-S605 WeakPolarHBondContact O-CB 3.46Å; V599-S605 PolarHBondContact O-OG 3.34Å; A600-S605 VanDerWaalsContact C-OG 3.28Å; A600-S605 PolarHBondContact O-OG 3.01Å; A600-S605 VanDerWaalsContact O-OG 3.08Å; G602-S605 PolarHBondContact N-OG 3.3Å; G602-S605 PolarHBondContact O-N 3.41Å; G602-S605 PolarHBondContact O-OG 2.88Å; K603-S605 VanDerWaalsContact C-N 3.31Å; K603-S605 PolarHBondContact O-N 3.44Å; S605-R666 PolarHBondContact O-NE 3.07Å; S605-R666 PolarHBondContact O-NH2 2.94Å
606E73Confident84Confident48 Ų4828.6 Ų28.622%0.22414%0.142CC..Hα-helixtrans-107-42.6-176-64.8-161.4134.500113.3R75 N238 K603 V604 R666R75-E606 VanDerWaalsContact CZ-CD 3.44Å; R75-E606 IonicContact CZ-OE1 3.65Å; R75-E606 IonicContact CZ-OE2 2.73Å; R75-E606 IonicContact NH1-OE1 3.69Å; R75-E606 PolarHBondContact NH1-OE1 3.31Å; R75-E606 IonicContact NH1-OE2 2.75Å; R75-E606 IonicContact NH2-OE1 3.55Å; R75-E606 PolarHBondContact NH2-OE1 3.33Å; R75-E606 IonicContact NH2-OE2 3.48Å; R75-E606 PolarHBondContact NH2-OE2 2.76Å; N238-E606 PolarHBondContact ND2-OE1 3.28Å; K603-E606 PolarHBondContact O-N 3.1Å; K603-E606 VanDerWaalsContact O-N 3.15Å; V604-E606 PolarHBondContact O-N 3.38Å; E606-R666 VanDerWaalsContact CA-NH2 3.32Å; E606-R666 PolarHBondContact O-NH2 3.49Å
607G65.9Low83.9Confident29 Ų2928.4 Ų28.430%0.29914%0.141SC..Hα-helixtrans-111.4-8.2-167.900000116.4K603K603-G607 PolarHBondContact O-N 3.2Å; K603-G607 VanDerWaalsContact O-N 3.08Å
608I76.6Confident83.9Confident37 Ų3728.4 Ų28.419%0.1914%0.141CC..  trans-111.9136.7-173.1-67.3157.4000110.4L581 V604 F610 R666L581-I608 HydrophobicContact CD1-CD1 4.21Å; L581-I608 HydrophobicContact CD1-CG2 3.91Å; L581-I608 HydrophobicContact CD2-CD1 3.41Å; L581-I608 VanDerWaalsContact CD2-CD1 3.41Å; L581-I608 HydrophobicContact CD2-CG1 3.85Å; L581-I608 HydrophobicContact CD2-CG2 3.84Å; L581-I608 HydrophobicContact CG-CD1 4.33Å; L581-I608 HydrophobicContact CG-CG2 4.49Å; V604-I608 HydrophobicContact CB-CD1 4.38Å; V604-I608 HydrophobicContact CG1-CD1 4.34Å; V604-I608 HydrophobicContact CG2-CD1 4.15Å; I608-F610 HydrophobicContact CG2-CE1 4.28Å; I608-F610 HydrophobicContact CG2-CZ 4.36Å; I608-R666 WeakPolarHBondContact O-CD 3.29Å; I608-R666 PolarHBondContact O-NH1 2.93Å
609D76.4Confident84Confident37 Ų3728.4 Ų28.420%0.19814%0.141CC..  trans-104.1125.3178.2-65-26.5000109.8K82 V611 R666 R669K82-D609 IonicContact NZ-OD2 2.77Å; K82-D609 PolarHBondContact NZ-OD2 3.11Å; D609-V611 HydrophobicContact CB-CG2 4.39Å; D609-R666 IonicContact OD1-NH1 3.76Å; D609-R666 PolarHBondContact OD1-NH1 3.37Å; D609-R669 VanDerWaalsContact CG-NH1 3.28Å; D609-R669 IonicContact OD1-CZ 2.67Å; D609-R669 IonicContact OD1-NH1 3.92Å; D609-R669 PolarHBondContact OD1-NH1 3.04Å; D609-R669 VanDerWaalsContact OD1-NH1 3.1Å; D609-R669 IonicContact OD1-NH2 2.94Å; D609-R669 PolarHBondContact OD1-NH2 3.24Å; D609-R669 IonicContact OD2-CZ 3.01Å; D609-R669 IonicContact OD2-NH1 2.97Å
610F81.8Confident84.1Confident3 Ų328.3 Ų28.31%0.01314%0.14CC..  trans-91102.8171.8-57.9-70.5000108.7V536 F538 L581 Y584 L596 V604 I608 F614 R666V536-F610 HydrophobicContact CG1-CE2 3.88Å; V536-F610 HydrophobicContact CG1-CZ 3.87Å; V536-F610 HydrophobicContact CG2-CD1 3.84Å; V536-F610 HydrophobicContact CG2-CD2 4.09Å; V536-F610 HydrophobicContact CG2-CE1 3.82Å; V536-F610 HydrophobicContact CG2-CE2 4.09Å; V536-F610 HydrophobicContact CG2-CG 3.98Å; V536-F610 HydrophobicContact CG2-CZ 3.94Å; F538-F610 HydrophobicContact CZ-CE2 4.03Å; L581-F610 HydrophobicContact CD1-CE1 4.33Å; Y584-F610 HydrophobicContact CE1-CD1 4.34Å; Y584-F610 HydrophobicContact CE1-CE1 4.33Å; L596-F610 HydrophobicContact CD2-CE1 3.72Å; L596-F610 HydrophobicContact CD2-CZ 3.74Å; V604-F610 HydrophobicContact CG1-CE2 4.44Å; V604-F610 HydrophobicContact CG1-CZ 3.74Å; I608-F610 HydrophobicContact CG2-CE1 4.28Å; I608-F610 HydrophobicContact CG2-CZ 4.36Å; F610-F614 HydrophobicContact CB-CB 4.47Å; F610-R666 HydrophobicContact CD2-CB 4.14Å; F610-R666 VanDerWaalsContact O-O 3.07Å
611V80.5Confident84.3Confident55 Ų5528.3 Ų28.333%0.33314%0.141SC..  trans-92.9131.3-176.9-175.80000109.6D609 H613 F614 R669D609-V611 HydrophobicContact CB-CG2 4.39Å; V611-H613 PolarHBondContact O-N 3.47Å; V611-F614 HydrophobicContact CB-CD2 4.27Å; V611-F614 WeakPolarHBondContact O-CB 3.38Å; V611-F614 WeakPolarHBondContact O-CD2 3.49Å; V611-F614 WeakPolarHBondContact O-CG 3.43Å; V611-F614 PolarHBondContact O-N 3.28Å; V611-F614 VanDerWaalsContact O-N 3.13Å; V611-R669 HydrophobicContact CG2-CG 4.34Å
612H83.1Confident84.7Confident83 Ų8325 Ų2538%0.38413%0.128SC..G310 helixtrans54.7-117.6170.9-59-35.9000114.4F614 G615 D673H612-F614 PolarHBondContact O-N 2.9Å; H612-G615 PolarHBondContact O-N 3.49Å; H612-D673 WeakPolarHBondContact CA-OD1 3.32Å; H612-D673 WeakPolarHBondContact CA-OD2 3.32Å; H612-D673 IonicContact CE1-OD2 3.67Å; H612-D673 IonicContact CG-OD2 2.77Å; H612-D673 PolarHBondContact N-OD2 3.1Å; H612-D673 VanDerWaalsContact N-OD2 3.07Å; H612-D673 VanDerWaalsContact ND1-CG 3.3Å; H612-D673 IonicContact ND1-OD1 2.72Å; H612-D673 IonicContact ND1-OD2 3.66Å; H612-D673 PolarHBondContact ND1-OD2 3.38Å
613H88.6Confident85.2Confident55 Ų5524.8 Ų24.826%0.25513%0.126SC..G310 helixtrans-72.3-12.1-174.861.586.6000113.5D533 G534 V611 G615D533-H613 HydrophobicContact CB-CB 4.05Å; D533-H613 VanDerWaalsContact CB-O 3.29Å; D533-H613 WeakPolarHBondContact CB-O 3.21Å; D533-H613 WeakPolarHBondContact OD2-CB 3.35Å; G534-H613 PolarHBondContact N-O 3.2Å; V611-H613 PolarHBondContact O-N 3.47Å; H613-G615 PolarHBondContact O-N 3.22Å
614F88.9Confident86Confident27 Ų2719.4 Ų19.412%0.11810%0.103CC..G310 helixtrans-68.6-12.1176.5-62.2-50.2000113.8Y584 Q585 C588 E589 F610 V611 H612Y584-F614 HydrophobicContact CE1-CB 4.44Å; Y584-F614 WeakPolarHBondContact CE1-O 3.38Å; Y584-F614 PolarHBondContact OH-O 2.92Å; Q585-F614 HydrophobicContact CB-CD1 4.44Å; Q585-F614 HydrophobicContact CB-CE1 3.91Å; Q585-F614 HydrophobicContact CB-CZ 4.35Å; Q585-F614 HydrophobicContact CG-CD1 4.22Å; Q585-F614 HydrophobicContact CG-CE1 4.05Å; Q585-F614 HydrophobicContact CG-CZ 4.36Å; C588-F614 HydrophobicContact CB-CD1 3.83Å; C588-F614 HydrophobicContact CB-CE1 4.14Å; E589-F614 HydrophobicContact CG-CE1 4.06Å; E589-F614 HydrophobicContact CG-CZ 4.33Å; E589-F614 WeakPolarHBondContact OE1-CZ 3.39Å; F610-F614 HydrophobicContact CB-CB 4.47Å; V611-F614 HydrophobicContact CB-CD2 4.27Å; V611-F614 WeakPolarHBondContact O-CB 3.38Å; V611-F614 WeakPolarHBondContact O-CD2 3.49Å; V611-F614 WeakPolarHBondContact O-CG 3.43Å; V611-F614 PolarHBondContact O-N 3.28Å; V611-F614 VanDerWaalsContact O-N 3.13Å; H612-F614 PolarHBondContact O-N 2.9Å
615G87.4Confident86.3Confident1 Ų121.5 Ų21.51%0.0111%0.111CC..G310 helixtrans-153.956.6-176.800000113.2H612 H613 A617H612-G615 PolarHBondContact O-N 3.49Å; H613-G615 PolarHBondContact O-N 3.22Å; G615-A617 VanDerWaalsContact C-N 3.29Å; G615-A617 PolarHBondContact O-N 2.99Å
616R91.6Very high86.5Confident27 Ų2723.6 Ų23.610%0.10212%0.124CC..SBendtrans-65.8-31.1-177.8-69.9-61.6-173.5-155.1-7.2113.4V531 P532 G534 D673 Y674 L676V531-R616 HydrophobicContact CG1-CB 3.7Å; P532-R616 HydrophobicContact CG-CG 4.37Å; G534-R616 PolarHBondContact O-N 3.45Å; R616-D673 IonicContact CZ-OD1 3.94Å; R616-D673 IonicContact NH1-OD1 2.79Å; R616-D673 PolarHBondContact NH1-OD1 3.28Å; R616-Y674 PolarHBondContact NH1-O 3.16Å; R616-L676 PolarHBondContact O-N 2.75Å
617A93.6Very high86.8Confident0 Ų026.5 Ų26.50%013%0.133CC..EExtended strand (participates in β ladder)trans-130.2130.4167.500000110.7V531 I535 V536 G615 L676V531-A617 HydrophobicContact CB-CB 4.29Å; V531-A617 HydrophobicContact CG1-CB 3.69Å; V531-A617 HydrophobicContact CG2-CB 3.74Å; I535-A617 WeakPolarHBondContact CA-O 3.37Å; I535-A617 HydrophobicContact CG1-CB 4.42Å; V536-A617 PolarHBondContact N-O 3.5Å; G615-A617 VanDerWaalsContact C-N 3.29Å; G615-A617 PolarHBondContact O-N 2.99Å; A617-L676 WeakPolarHBondContact CA-O 3.23Å; A617-L676 HydrophobicContact CB-CB 4.01Å; A617-L676 HydrophobicContact CB-CD2 4.09Å
618V94.4Very high87.1Confident0 Ų028.6 Ų28.60%014%0.141CC..EExtended strand (participates in β ladder)trans-108.2121.5169.5178.60000108.7V536 F538 M620 V664 A667 L676 I678V536-V618 HydrophobicContact CB-CG2 4.36Å; V536-V618 CarbonylContact O-C 3.59Å; V536-V618 VanDerWaalsContact O-CA 3.31Å; V536-V618 WeakPolarHBondContact O-CA 3.44Å; F538-V618 HydrophobicContact CD2-CG1 3.63Å; F538-V618 HydrophobicContact CE2-CG1 3.56Å; V618-M620 HydrophobicContact CG1-SD 4.49Å; V618-V664 HydrophobicContact CG1-CG2 4.26Å; V618-A667 HydrophobicContact CB-CB 4.43Å; V618-A667 HydrophobicContact CG2-CB 3.59Å; V618-L676 PolarHBondContact N-O 3.34Å; V618-I678 PolarHBondContact O-N 3.35Å
619I95.7Very high86.8Confident0 Ų031.7 Ų31.70%015%0.154CC..EExtended strand (participates in β ladder)trans-110.5116.9-178.8-50.6-174.1000108.9L523 L524 M527 I535 V536 A537 F538 F621 I678 A680L523-I619 HydrophobicContact CD2-CG2 4.43Å; L524-I619 HydrophobicContact CD1-CD1 4.06Å; M527-I619 HydrophobicContact CB-CD1 4.17Å; M527-I619 HydrophobicContact CG-CD1 4.36Å; I535-I619 HydrophobicContact CG2-CD1 3.91Å; I535-I619 HydrophobicContact CG2-CG1 4.11Å; V536-I619 PolarHBondContact O-N 3.05Å; A537-I619 CarbonylContact C-O 3.58Å; A537-I619 WeakPolarHBondContact CA-O 3.4Å; A537-I619 HydrophobicContact CB-CB 4.48Å; F538-I619 PolarHBondContact N-O 3Å; I619-F621 HydrophobicContact CG2-CD1 4.23Å; I619-F621 HydrophobicContact CG2-CD2 4.33Å; I619-F621 HydrophobicContact CG2-CE1 3.88Å; I619-F621 HydrophobicContact CG2-CE2 4Å; I619-F621 HydrophobicContact CG2-CG 4.44Å; I619-F621 HydrophobicContact CG2-CZ 3.75Å; I619-I678 HydrophobicContact CD1-CD1 4.21Å; I619-I678 HydrophobicContact CG1-CB 4.3Å; I619-I678 HydrophobicContact CG1-CD1 3.99Å; I619-I678 HydrophobicContact CG1-CG1 4.47Å; I619-I678 HydrophobicContact CG2-CB 4.36Å; I619-I678 HydrophobicContact CG2-CG2 4.46Å; I619-A680 HydrophobicContact CG2-CB 4.47Å
620M95.6Very high87Confident2 Ų231 Ų311%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-93.3102.2172.2-64.3-57.1-52.500109.9F538 A600 V618 G622 A660 C663 V664 I678 F679 A680F538-M620 HydrophobicContact CB-CE 3.64Å; F538-M620 HydrophobicContact CB-SD 3.53Å; F538-M620 VanDerWaalsContact CB-SD 3.53Å; F538-M620 HydrophobicContact CD2-SD 3.56Å; F538-M620 VanDerWaalsContact CD2-SD 3.56Å; F538-M620 HydrophobicContact CG-CE 4.37Å; F538-M620 HydrophobicContact CG-SD 3.86Å; A600-M620 HydrophobicContact CB-CE 3.82Å; V618-M620 HydrophobicContact CG1-SD 4.49Å; M620-G622 PolarHBondContact O-N 3.22Å; M620-A660 HydrophobicContact CE-CB 4.43Å; M620-C663 HydrophobicContact CE-CB 3.95Å; M620-C663 HydrophobicContact SD-CB 3.46Å; M620-C663 WeakPolarHBondContact SD-CB 3.21Å; M620-V664 HydrophobicContact CG-CG2 3.19Å; M620-V664 HydrophobicContact SD-CG2 3.8Å; M620-I678 PolarHBondContact N-O 3.42Å; M620-F679 HydrophobicContact CB-CD1 4.26Å; M620-F679 HydrophobicContact CG-CD1 4.27Å; M620-F679 HydrophobicContact CG-CE1 4.37Å; M620-A680 WeakPolarHBondContact O-CB 3.35Å; M620-A680 PolarHBondContact O-N 3.41Å
621F94.4Very high87.2Confident1 Ų136.2 Ų36.20%0.00417%0.172CC..EExtended strand (participates in β ladder)trans-77.8107172.6-71.9-61000110.4Y520 L523 L524 A537 F538 F539 T540 W552 I619 A680Y520-F621 AromaticContact CD1-CD1 3.43Å; Y520-F621 HydrophobicContact CD1-CD1 3.43Å; Y520-F621 VanDerWaalsContact CD1-CD1 3.43Å; Y520-F621 AromaticContact CD1-CE1 3.67Å; Y520-F621 HydrophobicContact CD1-CE1 3.67Å; Y520-F621 HydrophobicContact CD2-CD1 4.44Å; Y520-F621 AromaticContact CE1-CD1 3.86Å; Y520-F621 HydrophobicContact CE1-CD1 3.86Å; Y520-F621 HydrophobicContact CE1-CE1 4.47Å; Y520-F621 AromaticContact CG-CD1 3.76Å; Y520-F621 HydrophobicContact CG-CD1 3.76Å; Y520-F621 AromaticContact CG-CE1 3.97Å; Y520-F621 HydrophobicContact CG-CE1 3.97Å; L523-F621 HydrophobicContact CD2-CE1 4.11Å; L524-F621 HydrophobicContact CB-CZ 4.2Å; A537-F621 HydrophobicContact CB-CD2 4.05Å; A537-F621 HydrophobicContact CB-CE2 3.68Å; F538-F621 PolarHBondContact O-N 2.99Å; F539-F621 HydrophobicContact CD1-CB 3.97Å; F539-F621 HydrophobicContact CD1-CD2 4.14Å; F539-F621 HydrophobicContact CD1-CG 4.35Å; F539-F621 HydrophobicContact CD2-CD2 4.43Å; F539-F621 HydrophobicContact CE1-CB 4.13Å; F539-F621 AromaticContact CE1-CD2 3.64Å; F539-F621 HydrophobicContact CE1-CD2 3.64Å; F539-F621 HydrophobicContact CE1-CE2 4.31Å; F539-F621 HydrophobicContact CE1-CG 4.04Å; F539-F621 AromaticContact CE2-CD2 3.97Å; F539-F621 HydrophobicContact CE2-CD2 3.97Å; F539-F621 HydrophobicContact CE2-CE2 4.38Å; F539-F621 AromaticContact CZ-CD2 3.56Å; F539-F621 HydrophobicContact CZ-CD2 3.56Å; F539-F621 AromaticContact CZ-CE2 3.89Å; F539-F621 HydrophobicContact CZ-CE2 3.89Å; F539-F621 HydrophobicContact CZ-CG 4.4Å; T540-F621 WeakPolarHBondContact CG2-O 3.48Å; W552-F621 HydrophobicContact CH2-CE2 4.35Å; W552-F621 HydrophobicContact CH2-CZ 4.37Å; I619-F621 HydrophobicContact CG2-CD1 4.23Å; I619-F621 HydrophobicContact CG2-CD2 4.33Å; I619-F621 HydrophobicContact CG2-CE1 3.88Å; I619-F621 HydrophobicContact CG2-CE2 4Å; I619-F621 HydrophobicContact CG2-CG 4.44Å; I619-F621 HydrophobicContact CG2-CZ 3.75Å; F621-A680 HydrophobicContact CD1-CB 3.97Å; F621-A680 HydrophobicContact CE1-CB 4.35Å
622G92.8Very high87.6Confident0 Ų036 Ų360%017%0.168CC..SBendtrans78.7-173.3178.200000114.7S506 M620 A680 Y684S506-G622 WeakPolarHBondContact OG-CA 3.15Å; M620-G622 PolarHBondContact O-N 3.22Å; G622-A680 PolarHBondContact N-O 3.21Å; G622-Y684 VanDerWaalsContact O-CE2 3.3Å; G622-Y684 WeakPolarHBondContact O-CE2 3.29Å; G622-Y684 PolarHBondContact O-OH 3.26Å
623V93.1Very high87.8Confident0 Ų032.7 Ų32.70%015%0.153CC..  trans-105.2121.6176.7-178.50000108.9S506 T540 Y625 A656 M657 D681 R683 Y684S506-V623 PolarHBondContact OG-N 3.36Å; T540-V623 WeakPolarHBondContact CG2-O 3.49Å; V623-Y625 HydrophobicContact CB-CD2 3.93Å; V623-Y625 HydrophobicContact CB-CE2 3.83Å; V623-Y625 HydrophobicContact CG1-CD2 3.62Å; V623-Y625 HydrophobicContact CG1-CE2 3.37Å; V623-Y625 HydrophobicContact CG1-CG 4.4Å; V623-Y625 PolarHBondContact O-N 2.79Å; V623-A656 HydrophobicContact CG1-CB 3.78Å; V623-M657 HydrophobicContact CG1-CE 3.56Å; V623-D681 HydrophobicContact CG2-CB 4.21Å; V623-R683 HydrophobicContact CG2-CB 4.15Å; V623-Y684 HydrophobicContact CG2-CD2 4.13Å; V623-Y684 HydrophobicContact CG2-CE1 4.38Å; V623-Y684 HydrophobicContact CG2-CE2 3.66Å
624P91.8Very high87.9Confident1 Ų133.5 Ų33.51%0.00616%0.156CC..  trans-78.964.4-171.934-37.4000112.2A600 R601 A656 H659 A660 Y684A600-P624 HydrophobicContact CB-CB 3.78Å; A600-P624 HydrophobicContact CB-CG 4.35Å; R601-P624 PolarHBondContact NE-O 3.21Å; R601-P624 PolarHBondContact NH2-O 3.22Å; P624-A656 WeakPolarHBondContact CG-O 3.26Å; P624-H659 HydrophobicContact CG-CB 4.17Å; P624-A660 HydrophobicContact CG-CB 3.97Å; P624-Y684 WeakPolarHBondContact CD-OH 3.5Å
625Y89.1Confident87.9Confident45 Ų4532.6 Ų32.618%0.17615%0.153CC..  trans-67.4140.7171.1-76.9-72.5000111.3V623 L652 A656 K689V623-Y625 HydrophobicContact CB-CD2 3.93Å; V623-Y625 HydrophobicContact CB-CE2 3.83Å; V623-Y625 HydrophobicContact CG1-CD2 3.62Å; V623-Y625 HydrophobicContact CG1-CE2 3.37Å; V623-Y625 HydrophobicContact CG1-CG 4.4Å; V623-Y625 PolarHBondContact O-N 2.79Å; Y625-L652 HydrophobicContact CD1-CB 4.34Å; Y625-L652 HydrophobicContact CE1-CB 4.06Å; Y625-L652 WeakPolarHBondContact CE1-O 3.38Å; Y625-A656 HydrophobicContact CD1-CB 3.89Å; Y625-A656 HydrophobicContact CE1-CB 3.95Å; Y625-A656 HydrophobicContact CG-CB 4.3Å; Y625-K689 WeakPolarHBondContact OH-CE 3.37Å; Y625-K689 PolarHBondContact OH-NZ 3.43Å
626V82.8Confident88.1Confident45 Ų4533.6 Ų33.627%0.27316%0.157SC..  trans-62.3152.7162.5-172.20000108.8R601 T628 L633 D655R601-V626 VanDerWaalsContact NH2-CG2 3.27Å; V626-T628 PolarHBondContact O-N 3.41Å; V626-L633 HydrophobicContact CB-CD2 3.87Å; V626-L633 HydrophobicContact CG1-CD2 3.9Å; V626-D655 WeakPolarHBondContact CG2-OD2 3.36Å
627Y78.5Confident88.1Confident108 Ų10832.8 Ų32.842%0.42416%0.155SC..  trans-56.3106.6171-176.6-122.4000111.1D423 Q629 S630D423-Y627 HydrophobicContact CB-CE1 4.3Å; D423-Y627 WeakPolarHBondContact OD2-CE1 3.46Å; Y627-Q629 VanDerWaalsContact C-N 3.26Å; Y627-Q629 HydrophobicContact CD1-CB 4.4Å; Y627-Q629 HydrophobicContact CE1-CB 3.75Å; Y627-Q629 HydrophobicContact CE2-CB 3.92Å; Y627-Q629 HydrophobicContact CE2-CG 4.31Å; Y627-Q629 VanDerWaalsContact CZ-CB 3.49Å; Y627-Q629 PolarHBondContact O-N 2.83Å; Y627-Q629 PolarHBondContact OH-OE1 2.89Å; Y627-S630 WeakPolarHBondContact O-CB 3.33Å; Y627-S630 PolarHBondContact O-N 3.25Å
628T72.3Confident87.9Confident74 Ų7436.7 Ų36.745%0.45417%0.173SC..THydrogen-bonded Turntrans-73-16.6-17252.40000113.8V626 K634 L652V626-T628 PolarHBondContact O-N 3.41Å; T628-K634 WeakPolarHBondContact O-CE 3.43Å; T628-L652 HydrophobicContact CG2-CD1 4.4Å; T628-L652 HydrophobicContact CG2-CD2 4.4Å
629Q71.1Confident87.7Confident101 Ų10138.7 Ų38.747%0.47218%0.181SC..THydrogen-bonded Turntrans-83.2-15.1178.7-67.1176.2-17.900112.6Y627 R631Y627-Q629 VanDerWaalsContact C-N 3.26Å; Y627-Q629 HydrophobicContact CD1-CB 4.4Å; Y627-Q629 HydrophobicContact CE1-CB 3.75Å; Y627-Q629 HydrophobicContact CE2-CB 3.92Å; Y627-Q629 HydrophobicContact CE2-CG 4.31Å; Y627-Q629 VanDerWaalsContact CZ-CB 3.49Å; Y627-Q629 PolarHBondContact O-N 2.83Å; Y627-Q629 PolarHBondContact OH-OE1 2.89Å; Q629-R631 PolarHBondContact O-N 2.9Å
630S80.9Confident87.4Confident23 Ų2338.7 Ų38.716%0.16118%0.181CC..  trans-54.9131.3174.8178.30000111Y627 L633 K634Y627-S630 WeakPolarHBondContact O-CB 3.33Å; Y627-S630 PolarHBondContact O-N 3.25Å; S630-L633 PolarHBondContact O-N 3.24Å; S630-K634 PolarHBondContact O-N 2.96Å
631R84.9Confident87.2Confident112 Ų11243.9 Ų43.942%0.42320%0.2SC..Hα-helixtrans-71.4-33.1-178.6-60.1-61-179.3174.90.3112.4V349 I417 Q629 L633 K634 A635V349-R631 HydrophobicContact CG1-CG 4.35Å; I417-R631 HydrophobicContact CD1-CB 4.36Å; I417-R631 HydrophobicContact CG2-CB 4.17Å; Q629-R631 PolarHBondContact O-N 2.9Å; R631-L633 VanDerWaalsContact C-N 3.3Å; R631-L633 PolarHBondContact O-N 3.24Å; R631-K634 PolarHBondContact O-N 3.4Å; R631-A635 WeakPolarHBondContact O-CB 3.47Å; R631-A635 PolarHBondContact O-N 3.45Å
632I88.4Confident87Confident50 Ų5048.5 Ų48.526%0.25623%0.225SC..Hα-helixtrans-57.3-47.3174.2-60.2172.6000109.8I417 H434 M438 R636I417-I632 HydrophobicContact CD1-CB 4.48Å; I417-I632 HydrophobicContact CD1-CG1 4.01Å; H434-I632 HydrophobicContact CB-CD1 4.43Å; M438-I632 HydrophobicContact CE-CG2 4.1Å; I632-R636 WeakPolarHBondContact O-CB 3.32Å; I632-R636 PolarHBondContact O-N 3.05Å
633L88.7Confident86.8Confident14 Ų1454.4 Ų54.47%0.07325%0.252CS..Hα-helixtrans-66.7-41.9179.3-176.260.5000111.9V626 S630 R631 R636 L637 F651 L652V626-L633 HydrophobicContact CB-CD2 3.87Å; V626-L633 HydrophobicContact CG1-CD2 3.9Å; S630-L633 PolarHBondContact O-N 3.24Å; R631-L633 VanDerWaalsContact C-N 3.3Å; R631-L633 PolarHBondContact O-N 3.24Å; L633-R636 WeakPolarHBondContact O-CB 2.72Å; L633-R636 PolarHBondContact O-N 3.44Å; L633-L637 HydrophobicContact CD1-CG 4.32Å; L633-L637 HydrophobicContact CG-CD1 4.1Å; L633-L637 HydrophobicContact CG-CG 4.36Å; L633-L637 WeakPolarHBondContact O-CB 3.27Å; L633-L637 WeakPolarHBondContact O-CG 3.26Å; L633-L637 PolarHBondContact O-N 3.4Å; L633-F651 HydrophobicContact CD1-CE1 4.35Å; L633-L652 HydrophobicContact CD2-CD2 3.89Å; L633-L652 HydrophobicContact CG-CD2 4.47Å
634K89.7Confident86.4Confident73 Ų7356.2 Ų56.232%0.31726%0.261SS..Hα-helixtrans-60.8-47.6176.5-72178.8-179.6174.80112.2T628 S630 R631 R636 L637 E638T628-K634 WeakPolarHBondContact O-CE 3.43Å; S630-K634 PolarHBondContact O-N 2.96Å; R631-K634 PolarHBondContact O-N 3.4Å; K634-R636 VanDerWaalsContact C-N 3.27Å; K634-R636 PolarHBondContact O-N 2.92Å; K634-L637 PolarHBondContact O-N 2.98Å; K634-L637 VanDerWaalsContact O-N 3.15Å; K634-E638 WeakPolarHBondContact O-CG 3.39Å; K634-E638 PolarHBondContact O-N 3.12Å
635A89.6Confident86.3Confident7 Ų764.4 Ų64.46%0.05830%0.299CS..Hα-helixtrans-60.6-37.817600000111.8T415 I417 M438 R631 Y639T415-A635 HydrophobicContact CG2-CB 4.13Å; I417-A635 HydrophobicContact CD1-CB 4.26Å; M438-A635 HydrophobicContact CE-CB 3.95Å; R631-A635 WeakPolarHBondContact O-CB 3.47Å; R631-A635 PolarHBondContact O-N 3.45Å; A635-Y639 WeakPolarHBondContact O-CB 3.3Å; A635-Y639 PolarHBondContact O-N 3.31Å
636R90.9Very high86.3Confident22 Ų2262.9 Ų62.98%0.08329%0.293CS..Hα-helixtrans-63.6-45.9173.3-169.5175175.3-175.5-4.4111.9D240 N241 I244 M438 I632 L633 K634 Y639 L640D240-R636 IonicContact OD2-CZ 3.99Å; D240-R636 IonicContact OD2-NH1 3.95Å; D240-R636 IonicContact OD2-NH2 2.78Å; D240-R636 PolarHBondContact OD2-NH2 3.49Å; N241-R636 PolarHBondContact OD1-NH1 3.32Å; N241-R636 VanDerWaalsContact OD1-NH1 3.1Å; I244-R636 VanDerWaalsContact CD1-NH1 3.33Å; M438-R636 WeakPolarHBondContact SD-CA 3.29Å; M438-R636 HydrophobicContact SD-CB 3.48Å; M438-R636 WeakPolarHBondContact SD-CB 3.44Å; M438-R636 HydrophobicContact SD-CG 4Å; I632-R636 WeakPolarHBondContact O-CB 3.32Å; I632-R636 PolarHBondContact O-N 3.05Å; L633-R636 WeakPolarHBondContact O-CB 2.72Å; L633-R636 PolarHBondContact O-N 3.44Å; K634-R636 VanDerWaalsContact C-N 3.27Å; K634-R636 PolarHBondContact O-N 2.92Å; R636-Y639 PolarHBondContact O-N 2.86Å; R636-L640 HydrophobicContact CG-CD1 4.25Å; R636-L640 HydrophobicContact CG-CG 4.39Å; R636-L640 WeakPolarHBondContact O-CB 3.35Å; R636-L640 VanDerWaalsContact O-CG 3.29Å; R636-L640 WeakPolarHBondContact O-CG 3.42Å; R636-L640 PolarHBondContact O-N 3.38Å
637L90.9Very high86.7Confident11 Ų1169.5 Ų69.56%0.05831%0.314CS..Hα-helixtrans-63.2-41.9179.7-70.7171.8000111.7L633 K634 L640 R641 E648 F651 L652L633-L637 HydrophobicContact CD1-CG 4.32Å; L633-L637 HydrophobicContact CG-CD1 4.1Å; L633-L637 HydrophobicContact CG-CG 4.36Å; L633-L637 WeakPolarHBondContact O-CB 3.27Å; L633-L637 WeakPolarHBondContact O-CG 3.26Å; L633-L637 PolarHBondContact O-N 3.4Å; K634-L637 PolarHBondContact O-N 2.98Å; K634-L637 VanDerWaalsContact O-N 3.15Å; L637-L640 PolarHBondContact O-N 2.98Å; L637-R641 WeakPolarHBondContact O-CB 3.46Å; L637-R641 PolarHBondContact O-N 2.89Å; L637-E648 HydrophobicContact CB-CB 4.41Å; L637-E648 HydrophobicContact CB-CG 4.09Å; L637-E648 HydrophobicContact CD1-CB 4.43Å; L637-E648 HydrophobicContact CD2-CB 4.28Å; L637-F651 HydrophobicContact CD2-CB 4.02Å; L637-F651 HydrophobicContact CD2-CD1 3.64Å; L637-F651 HydrophobicContact CD2-CG 4.2Å; L637-L652 HydrophobicContact CD1-CD1 4.3Å; L637-L652 HydrophobicContact CD1-CD2 4.21Å; L637-L652 HydrophobicContact CD1-CG 4.24Å; L637-L652 HydrophobicContact CD2-CG 4.26Å
638E90.3Very high87.2Confident81 Ų8168.2 Ų68.238%0.37931%0.311SS..Hα-helixtrans-60.1-46.3172.8-72.6172.4178.500111.1K634 L640 R641 D642K634-E638 WeakPolarHBondContact O-CG 3.39Å; K634-E638 PolarHBondContact O-N 3.12Å; E638-L640 PolarHBondContact O-N 3.05Å; E638-R641 PolarHBondContact O-N 3.09Å; E638-D642 WeakPolarHBondContact O-CB 3.38Å; E638-D642 PolarHBondContact O-N 2.77Å
639Y90.3Very high88Confident42 Ų4268.9 Ų68.917%0.16531%0.312CS..Hα-helixtrans-61.3-45.1177.4-174.3-101.6000112.6M438 D439 A635 R636 R641 D642 Q643 F644M438-Y639 HydrophobicContact CB-CD1 3.72Å; M438-Y639 HydrophobicContact CB-CD2 4.44Å; M438-Y639 HydrophobicContact CB-CE1 4.34Å; M438-Y639 HydrophobicContact CB-CG 3.78Å; D439-Y639 HydrophobicContact CB-CE1 3.68Å; D439-Y639 WeakPolarHBondContact CB-OH 3.46Å; D439-Y639 PolarHBondContact OD2-OH 3.3Å; A635-Y639 WeakPolarHBondContact O-CB 3.3Å; A635-Y639 PolarHBondContact O-N 3.31Å; R636-Y639 PolarHBondContact O-N 2.86Å; Y639-R641 VanDerWaalsContact C-N 3.3Å; Y639-R641 PolarHBondContact O-N 3.34Å; Y639-D642 PolarHBondContact O-N 2.83Å; Y639-Q643 HydrophobicContact CD2-CG 3.98Å; Y639-Q643 HydrophobicContact CE1-CG 4.29Å; Y639-Q643 HydrophobicContact CE2-CG 3.52Å; Y639-Q643 WeakPolarHBondContact O-CB 3.3Å; Y639-Q643 PolarHBondContact O-N 2.77Å; Y639-F644 HydrophobicContact CD1-CE2 4.24Å; Y639-F644 AromaticContact CE1-CE2 3.71Å; Y639-F644 HydrophobicContact CE1-CE2 3.71Å; Y639-F644 HydrophobicContact CE1-CZ 4.44Å
640L90.1Very high88.9Confident1 Ų166.9 Ų66.91%0.00531%0.305CS..Hα-helixtrans-63.9-35.7178.2-71.2178000112.6R636 L637 E638 F644 Q645 I646 F651R636-L640 HydrophobicContact CG-CD1 4.25Å; R636-L640 HydrophobicContact CG-CG 4.39Å; R636-L640 WeakPolarHBondContact O-CB 3.35Å; R636-L640 VanDerWaalsContact O-CG 3.29Å; R636-L640 WeakPolarHBondContact O-CG 3.42Å; R636-L640 PolarHBondContact O-N 3.38Å; L637-L640 PolarHBondContact O-N 2.98Å; E638-L640 PolarHBondContact O-N 3.05Å; L640-F644 HydrophobicContact CD2-CD2 3.62Å; L640-F644 HydrophobicContact CD2-CE2 4.09Å; L640-F644 CarbonylContact O-C 3.59Å; L640-F644 WeakPolarHBondContact O-CA 3.36Å; L640-F644 WeakPolarHBondContact O-CB 3.31Å; L640-F644 PolarHBondContact O-N 2.97Å; L640-F644 VanDerWaalsContact O-N 3.13Å; L640-Q645 PolarHBondContact O-N 3.05Å; L640-Q645 VanDerWaalsContact O-N 3.14Å; L640-I646 HydrophobicContact CB-CB 4.39Å; L640-I646 PolarHBondContact O-N 3.07Å; L640-I646 VanDerWaalsContact O-N 3.11Å; L640-F651 HydrophobicContact CD1-CB 4.23Å; L640-F651 HydrophobicContact CD1-CD1 3.97Å; L640-F651 HydrophobicContact CD1-CD2 3.5Å; L640-F651 VanDerWaalsContact CD1-CD2 3.5Å; L640-F651 HydrophobicContact CD1-CE1 4.22Å; L640-F651 HydrophobicContact CD1-CE2 3.78Å; L640-F651 HydrophobicContact CD1-CG 3.6Å; L640-F651 HydrophobicContact CD1-CZ 4.14Å
641R91.3Very high89.3Confident110 Ų11065.9 Ų65.942%0.41530%0.298SS..Hα-helixtrans-68.3-46.9175.9-176.5-170.667.5-1550.9111.4L637 E638 Y639 Q645 I646 E648L637-R641 WeakPolarHBondContact O-CB 3.46Å; L637-R641 PolarHBondContact O-N 2.89Å; E638-R641 PolarHBondContact O-N 3.09Å; Y639-R641 VanDerWaalsContact C-N 3.3Å; Y639-R641 PolarHBondContact O-N 3.34Å; R641-Q645 VanDerWaalsContact O-CA 3.32Å; R641-Q645 WeakPolarHBondContact O-CA 3.29Å; R641-Q645 PolarHBondContact O-N 3.3Å; R641-I646 VanDerWaalsContact CA-O 3.3Å; R641-I646 WeakPolarHBondContact CA-O 3.49Å; R641-E648 IonicContact CZ-OE1 3.31Å; R641-E648 IonicContact NH1-OE1 3.27Å; R641-E648 PolarHBondContact NH1-OE1 3.47Å
642D90.2Very high89.6Confident99 Ų9961.9 Ų61.953%0.52928%0.284SS..Hα-helixtrans-78-36.9-171.2-63.8-6.7000112.5E638 Y639E638-D642 WeakPolarHBondContact O-CB 3.38Å; E638-D642 PolarHBondContact O-N 2.77Å; Y639-D642 PolarHBondContact O-N 2.83Å
643Q87.3Confident89.7Confident123 Ų12359.5 Ų59.558%0.57527%0.272SS*.Hα-helixtrans-94-45.9-178.8-60.8-56.1-67.200113.4Y639Y639-Q643 HydrophobicContact CD2-CG 3.98Å; Y639-Q643 HydrophobicContact CE1-CG 4.29Å; Y639-Q643 HydrophobicContact CE2-CG 3.52Å; Y639-Q643 WeakPolarHBondContact O-CB 3.3Å; Y639-Q643 PolarHBondContact O-N 2.77Å
644F86.3Confident89.8Confident39 Ų3958.9 Ų58.917%0.17127%0.269CS..Hα-helixtrans-103.60.7-172.1-56.8-69.7000113.7R469 Y639 L640 I646R469-F644 WeakPolarHBondContact O-CD1 3.26Å; R469-F644 VanDerWaalsContact O-CE1 3.28Å; R469-F644 WeakPolarHBondContact O-CE1 2.69Å; Y639-F644 HydrophobicContact CD1-CE2 4.24Å; Y639-F644 AromaticContact CE1-CE2 3.71Å; Y639-F644 HydrophobicContact CE1-CE2 3.71Å; Y639-F644 HydrophobicContact CE1-CZ 4.44Å; L640-F644 HydrophobicContact CD2-CD2 3.62Å; L640-F644 HydrophobicContact CD2-CE2 4.09Å; L640-F644 CarbonylContact O-C 3.59Å; L640-F644 WeakPolarHBondContact O-CA 3.36Å; L640-F644 WeakPolarHBondContact O-CB 3.31Å; L640-F644 PolarHBondContact O-N 2.97Å; L640-F644 VanDerWaalsContact O-N 3.13Å; F644-I646 HydrophobicContact CB-CD1 3.99Å; F644-I646 HydrophobicContact CB-CG1 4.01Å; F644-I646 PolarHBondContact O-N 3.47Å; F644-I646 VanDerWaalsContact O-N 3.16Å
645Q89.4Confident89.8Confident172 Ų17255.9 Ų55.980%0.80426%0.256SS*.  trans56.327.9-178.7-57177.8-4.800113.4L640 R641L640-Q645 PolarHBondContact O-N 3.05Å; L640-Q645 VanDerWaalsContact O-N 3.14Å; R641-Q645 VanDerWaalsContact O-CA 3.32Å; R641-Q645 WeakPolarHBondContact O-CA 3.29Å; R641-Q645 PolarHBondContact O-N 3.3Å
646I89.2Confident89.9Confident13 Ų1355.5 Ų55.57%0.06725%0.253CS..  trans-89125.6177.3-60.5174.9000108.4R469 I470 L640 R641 F644 F651R469-I646 HydrophobicContact CB-CD1 4.48Å; I470-I646 HydrophobicContact CD1-CD1 4.39Å; I470-I646 HydrophobicContact CG1-CD1 3.83Å; L640-I646 HydrophobicContact CB-CB 4.39Å; L640-I646 PolarHBondContact O-N 3.07Å; L640-I646 VanDerWaalsContact O-N 3.11Å; R641-I646 VanDerWaalsContact CA-O 3.3Å; R641-I646 WeakPolarHBondContact CA-O 3.49Å; F644-I646 HydrophobicContact CB-CD1 3.99Å; F644-I646 HydrophobicContact CB-CG1 4.01Å; F644-I646 PolarHBondContact O-N 3.47Å; F644-I646 VanDerWaalsContact O-N 3.16Å; I646-F651 HydrophobicContact CG2-CB 4.11Å
647R89.5Confident90Very high185 Ų18554.5 Ų54.570%0.69825%0.25SC*.  trans-69.4146.4177.8-59.5178.6-173.9175.42.3110.7N649 D650 F651R647-N649 PolarHBondContact O-N 3.32Å; R647-D650 HydrophobicContact CB-CB 4.23Å; R647-D650 WeakPolarHBondContact O-CB 3.36Å; R647-D650 PolarHBondContact O-N 3.27Å; R647-F651 PolarHBondContact O-N 3.41Å
648E89.9Confident89.9Confident80 Ų8054.1 Ų54.137%0.37425%0.247SC..Hα-helixtrans-59.3-47.3-176-55.6179.9-172.100112.4L637 R641 D650 F651 L652L637-E648 HydrophobicContact CB-CB 4.41Å; L637-E648 HydrophobicContact CB-CG 4.09Å; L637-E648 HydrophobicContact CD1-CB 4.43Å; L637-E648 HydrophobicContact CD2-CB 4.28Å; R641-E648 IonicContact CZ-OE1 3.31Å; R641-E648 IonicContact NH1-OE1 3.27Å; R641-E648 PolarHBondContact NH1-OE1 3.47Å; E648-D650 PolarHBondContact O-N 2.65Å; E648-F651 PolarHBondContact O-N 3.35Å; E648-L652 WeakPolarHBondContact O-CG 3.26Å; E648-L652 PolarHBondContact O-N 3.2Å
649N88.7Confident89.9Confident88 Ų8850.5 Ų50.547%0.47123%0.23SC..Hα-helixtrans-65.6-28178.3-17240.3000112.7R647 T653R647-N649 PolarHBondContact O-N 3.32Å; N649-T653 VanDerWaalsContact O-CB 3.3Å; N649-T653 WeakPolarHBondContact O-CB 3.4Å; N649-T653 PolarHBondContact O-N 2.8Å; N649-T653 PolarHBondContact O-OG1 3.45Å
650D89.4Confident90Very high60 Ų6048.5 Ų48.532%0.32122%0.223SC..Hα-helixtrans-70.6-44.4179-80.4-39.9000111.6R647 E648 T653 F654 K692R647-D650 HydrophobicContact CB-CB 4.23Å; R647-D650 WeakPolarHBondContact O-CB 3.36Å; R647-D650 PolarHBondContact O-N 3.27Å; E648-D650 PolarHBondContact O-N 2.65Å; D650-T653 PolarHBondContact O-N 2.75Å; D650-F654 VanDerWaalsContact O-CB 3.27Å; D650-F654 WeakPolarHBondContact O-CB 3.46Å; D650-F654 PolarHBondContact O-N 2.98Å; D650-K692 PolarHBondContact O-NZ 3.05Å; D650-K692 IonicContact OD1-NZ 2.73Å; D650-K692 PolarHBondContact OD1-NZ 3.46Å
651F90.4Very high89.9Confident2 Ų248.5 Ų48.51%0.00922%0.223CC..Hα-helixtrans-65.7-44.8175.3-176.9-98000111.9I470 L633 L637 L640 I646 R647 E648 T653 F654 D655I470-F651 HydrophobicContact CD1-CD2 4.21Å; I470-F651 HydrophobicContact CD1-CE2 3.94Å; L633-F651 HydrophobicContact CD1-CE1 4.35Å; L637-F651 HydrophobicContact CD2-CB 4.02Å; L637-F651 HydrophobicContact CD2-CD1 3.64Å; L637-F651 HydrophobicContact CD2-CG 4.2Å; L640-F651 HydrophobicContact CD1-CB 4.23Å; L640-F651 HydrophobicContact CD1-CD1 3.97Å; L640-F651 HydrophobicContact CD1-CD2 3.5Å; L640-F651 VanDerWaalsContact CD1-CD2 3.5Å; L640-F651 HydrophobicContact CD1-CE1 4.22Å; L640-F651 HydrophobicContact CD1-CE2 3.78Å; L640-F651 HydrophobicContact CD1-CG 3.6Å; L640-F651 HydrophobicContact CD1-CZ 4.14Å; I646-F651 HydrophobicContact CG2-CB 4.11Å; R647-F651 PolarHBondContact O-N 3.41Å; E648-F651 PolarHBondContact O-N 3.35Å; F651-T653 VanDerWaalsContact C-N 3.28Å; F651-T653 PolarHBondContact O-N 3.24Å; F651-F654 HydrophobicContact CD2-CD1 4.2Å; F651-F654 HydrophobicContact CE2-CD1 4.26Å; F651-F654 WeakPolarHBondContact O-CB 3.21Å; F651-F654 PolarHBondContact O-N 3.4Å; F651-D655 WeakPolarHBondContact O-CB 3.44Å; F651-D655 PolarHBondContact O-N 2.89Å
652L90.8Very high89.8Confident27 Ų2743.5 Ų43.514%0.14120%0.204CC..Hα-helixtrans-59.8-41.1177.8-72.6175.2000112.2Y625 T628 L633 L637 E648 A656Y625-L652 HydrophobicContact CD1-CB 4.34Å; Y625-L652 HydrophobicContact CE1-CB 4.06Å; Y625-L652 WeakPolarHBondContact CE1-O 3.38Å; T628-L652 HydrophobicContact CG2-CD1 4.4Å; T628-L652 HydrophobicContact CG2-CD2 4.4Å; L633-L652 HydrophobicContact CD2-CD2 3.89Å; L633-L652 HydrophobicContact CG-CD2 4.47Å; L637-L652 HydrophobicContact CD1-CD1 4.3Å; L637-L652 HydrophobicContact CD1-CD2 4.21Å; L637-L652 HydrophobicContact CD1-CG 4.24Å; L637-L652 HydrophobicContact CD2-CG 4.26Å; E648-L652 WeakPolarHBondContact O-CG 3.26Å; E648-L652 PolarHBondContact O-N 3.2Å; L652-A656 WeakPolarHBondContact O-CB 3.48Å; L652-A656 PolarHBondContact O-N 3.01Å; L652-A656 VanDerWaalsContact O-N 3.12Å
653T91.1Very high89.8Confident1 Ų138.8 Ų38.81%0.00618%0.179CC..Hα-helixtrans-71.9-40.1178.2-55.10000111.1N649 D650 F651 A656 M657 K689 K692N649-T653 VanDerWaalsContact O-CB 3.3Å; N649-T653 WeakPolarHBondContact O-CB 3.4Å; N649-T653 PolarHBondContact O-N 2.8Å; N649-T653 PolarHBondContact O-OG1 3.45Å; D650-T653 PolarHBondContact O-N 2.75Å; F651-T653 VanDerWaalsContact C-N 3.28Å; F651-T653 PolarHBondContact O-N 3.24Å; T653-A656 PolarHBondContact O-N 3.22Å; T653-M657 HydrophobicContact CG2-CG 4.2Å; T653-M657 WeakPolarHBondContact O-CB 3.49Å; T653-M657 VanDerWaalsContact O-CG 3.27Å; T653-M657 WeakPolarHBondContact O-CG 3.35Å; T653-M657 PolarHBondContact O-N 3.07Å; T653-K689 HydrophobicContact CG2-CB 4.42Å; T653-K689 HydrophobicContact CG2-CG 3.47Å; T653-K689 VanDerWaalsContact CG2-CG 3.47Å; T653-K692 HydrophobicContact CG2-CD 3.87Å
654F90.5Very high89.8Confident1 Ų132.9 Ų32.90%0.00415%0.151CC..Hα-helixtrans-57-54174.1164.7-114.4000111.4S462 P463 I466 Y467 D650 F651 A656 M657 R658S462-F654 WeakPolarHBondContact O-CD2 3.33Å; S462-F654 WeakPolarHBondContact O-CE2 3.4Å; P463-F654 VanDerWaalsContact CD-CD2 3.45Å; I466-F654 HydrophobicContact CB-CZ 4.43Å; I466-F654 HydrophobicContact CD1-CB 3.82Å; I466-F654 HydrophobicContact CD1-CD1 4.17Å; I466-F654 HydrophobicContact CD1-CD2 3.77Å; I466-F654 HydrophobicContact CD1-CE2 4.3Å; I466-F654 HydrophobicContact CD1-CG 3.64Å; I466-F654 HydrophobicContact CG2-CD1 4.05Å; I466-F654 HydrophobicContact CG2-CE1 3.79Å; I466-F654 HydrophobicContact CG2-CE2 4.46Å; I466-F654 HydrophobicContact CG2-CG 4.49Å; I466-F654 HydrophobicContact CG2-CZ 3.99Å; Y467-F654 HydrophobicContact CE2-CE2 4.16Å; Y467-F654 AromaticContact CE2-CZ 3.88Å; Y467-F654 HydrophobicContact CE2-CZ 3.88Å; Y467-F654 AromaticContact CZ-CZ 3.86Å; D650-F654 VanDerWaalsContact O-CB 3.27Å; D650-F654 WeakPolarHBondContact O-CB 3.46Å; D650-F654 PolarHBondContact O-N 2.98Å; F651-F654 HydrophobicContact CD2-CD1 4.2Å; F651-F654 HydrophobicContact CE2-CD1 4.26Å; F651-F654 WeakPolarHBondContact O-CB 3.21Å; F651-F654 PolarHBondContact O-N 3.4Å; F654-A656 VanDerWaalsContact C-N 3.31Å; F654-A656 PolarHBondContact O-N 3.36Å; F654-M657 PolarHBondContact O-N 3.29Å; F654-R658 VanDerWaalsContact O-CB 3.31Å; F654-R658 WeakPolarHBondContact O-CB 3.49Å; F654-R658 PolarHBondContact O-N 3.1Å
655D90.6Very high89.7Confident9 Ų931.1 Ų31.15%0.04814%0.144CC..Hα-helixtrans-62.2-39.2-178.3-177.353000112R601 V626 F651 R658 H659R601-D655 IonicContact CZ-OD2 3.65Å; R601-D655 VanDerWaalsContact CZ-OD2 3.3Å; R601-D655 IonicContact NH1-OD1 3.15Å; R601-D655 IonicContact NH1-OD2 3.65Å; R601-D655 PolarHBondContact NH1-OD2 3.26Å; R601-D655 IonicContact NH2-OD2 2.66Å; R601-D655 PolarHBondContact NH2-OD2 3.45Å; V626-D655 WeakPolarHBondContact CG2-OD2 3.36Å; F651-D655 WeakPolarHBondContact O-CB 3.44Å; F651-D655 PolarHBondContact O-N 2.89Å; D655-R658 IonicContact OD1-CZ 3.39Å; D655-R658 IonicContact OD1-NE 3.92Å; D655-R658 IonicContact OD1-NH2 3.22Å; D655-R658 PolarHBondContact OD1-NH2 3Å; D655-H659 PolarHBondContact O-N 2.87Å; D655-H659 PolarHBondContact O-ND1 3.22Å; D655-H659 IonicContact OD1-CE1 3.64Å; D655-H659 PolarHBondContact OD1-CE1 3.5Å; D655-H659 IonicContact OD1-ND1 3.79Å; D655-H659 PolarHBondContact OD1-ND1 3.23Å
656A91.3Very high89.3Confident0 Ų023.6 Ų23.60%011%0.108CC..Hα-helixtrans-67.3-43.1176.500000113V623 P624 Y625 L652 T653 F654 A660V623-A656 HydrophobicContact CG1-CB 3.78Å; P624-A656 WeakPolarHBondContact CG-O 3.26Å; Y625-A656 HydrophobicContact CD1-CB 3.89Å; Y625-A656 HydrophobicContact CE1-CB 3.95Å; Y625-A656 HydrophobicContact CG-CB 4.3Å; L652-A656 WeakPolarHBondContact O-CB 3.48Å; L652-A656 PolarHBondContact O-N 3.01Å; L652-A656 VanDerWaalsContact O-N 3.12Å; T653-A656 PolarHBondContact O-N 3.22Å; F654-A656 VanDerWaalsContact C-N 3.31Å; F654-A656 PolarHBondContact O-N 3.36Å; A656-A660 WeakPolarHBondContact O-CB 3.44Å; A656-A660 PolarHBondContact O-N 2.86Å
657M91.9Very high88.9Confident1 Ų123 Ų231%0.00511%0.105CC..Hα-helixtrans-70.7-35.2178.9-66.2-56.392.400111.8V623 T653 F654 A660 A661 Y684 K689 K692 L693V623-M657 HydrophobicContact CG1-CE 3.56Å; T653-M657 HydrophobicContact CG2-CG 4.2Å; T653-M657 WeakPolarHBondContact O-CB 3.49Å; T653-M657 VanDerWaalsContact O-CG 3.27Å; T653-M657 WeakPolarHBondContact O-CG 3.35Å; T653-M657 PolarHBondContact O-N 3.07Å; F654-M657 PolarHBondContact O-N 3.29Å; M657-A660 PolarHBondContact O-N 3.14Å; M657-A661 WeakPolarHBondContact O-CB 3.14Å; M657-A661 PolarHBondContact O-N 3.05Å; M657-Y684 HydrophobicContact CE-CD1 4Å; M657-Y684 HydrophobicContact CE-CE1 3.43Å; M657-Y684 VanDerWaalsContact CE-CE1 3.43Å; M657-Y684 HydrophobicContact SD-CD1 3.84Å; M657-Y684 HydrophobicContact SD-CE1 3.7Å; M657-K689 HydrophobicContact CE-CG 4.41Å; M657-K689 HydrophobicContact SD-CB 3.91Å; M657-K689 HydrophobicContact SD-CG 4.24Å; M657-K692 HydrophobicContact CB-CB 4.09Å; M657-K692 HydrophobicContact CG-CB 4Å; M657-L693 HydrophobicContact SD-CD2 4.22Å
658R89.6Confident88.6Confident2 Ų214.3 Ų14.31%0.0087%0.073CC..Hα-helixtrans-54.9-52.7172.8178.8176.768.8173.1-3.4111.5H237 D240 N241 F654 D655 Q662H237-R658 HydrophobicContact CB-CG 4.22Å; H237-R658 WeakPolarHBondContact O-CD 3.43Å; H237-R658 PolarHBondContact O-NH1 2.67Å; D240-R658 IonicContact OD1-CZ 2.87Å; D240-R658 IonicContact OD1-NH1 2.71Å; D240-R658 PolarHBondContact OD1-NH1 3.49Å; D240-R658 IonicContact OD1-NH2 3.21Å; D240-R658 IonicContact OD2-NH1 3.9Å; D240-R658 IonicContact OD2-NH2 2.76Å; N241-R658 PolarHBondContact ND2-NH2 2.77Å; F654-R658 VanDerWaalsContact O-CB 3.31Å; F654-R658 WeakPolarHBondContact O-CB 3.49Å; F654-R658 PolarHBondContact O-N 3.1Å; D655-R658 IonicContact OD1-CZ 3.39Å; D655-R658 IonicContact OD1-NE 3.92Å; D655-R658 IonicContact OD1-NH2 3.22Å; D655-R658 PolarHBondContact OD1-NH2 3Å; R658-Q662 VanDerWaalsContact O-CB 3.31Å; R658-Q662 WeakPolarHBondContact O-CB 3.37Å; R658-Q662 PolarHBondContact O-N 3.2Å
659H89.9Confident88.1Confident5 Ų514 Ų142%0.0237%0.068CC..Hα-helixtrans-67.1-41.9178.8-71.682.5000112R601 P624 D655 A661 Q662 C663R601-H659 PolarHBondContact NH1-CE1 3.32Å; R601-H659 PolarHBondContact NH1-ND1 3.07Å; R601-H659 PolarHBondContact NH1-NE2 2.82Å; P624-H659 HydrophobicContact CG-CB 4.17Å; D655-H659 PolarHBondContact O-N 2.87Å; D655-H659 PolarHBondContact O-ND1 3.22Å; D655-H659 IonicContact OD1-CE1 3.64Å; D655-H659 PolarHBondContact OD1-CE1 3.5Å; D655-H659 IonicContact OD1-ND1 3.79Å; D655-H659 PolarHBondContact OD1-ND1 3.23Å; H659-A661 PolarHBondContact O-N 3.45Å; H659-Q662 PolarHBondContact O-N 3.45Å; H659-C663 PolarHBondContact O-N 3.19Å; H659-C663 PolarHBondContact O-SG 2.86Å
660A91.7Very high87.8Confident0 Ų010.2 Ų10.20%05%0.05CC..Hα-helixtrans-61.5-46.9177.700000112M620 P624 A656 M657 Q662 C663 V664 Y684M620-A660 HydrophobicContact CE-CB 4.43Å; P624-A660 HydrophobicContact CG-CB 3.97Å; A656-A660 WeakPolarHBondContact O-CB 3.44Å; A656-A660 PolarHBondContact O-N 2.86Å; M657-A660 PolarHBondContact O-N 3.14Å; A660-Q662 VanDerWaalsContact C-N 3.33Å; A660-Q662 PolarHBondContact O-N 3.31Å; A660-C663 PolarHBondContact O-N 3.37Å; A660-V664 WeakPolarHBondContact O-CB 3.27Å; A660-V664 VanDerWaalsContact O-CG2 3.28Å; A660-V664 WeakPolarHBondContact O-CG2 3.2Å; A660-V664 PolarHBondContact O-N 3.31Å; A660-Y684 HydrophobicContact CB-CE1 4.13Å
661A89.8Confident87.5Confident1 Ų17.5 Ų7.51%0.0084%0.036CC..Hα-helixtrans-65.6-36177.500000111.9T460 M657 H659 G665 L693 P694T460-A661 HydrophobicContact CG2-CB 4.24Å; M657-A661 WeakPolarHBondContact O-CB 3.14Å; M657-A661 PolarHBondContact O-N 3.05Å; H659-A661 PolarHBondContact O-N 3.45Å; A661-G665 WeakPolarHBondContact O-CA 3.45Å; A661-G665 PolarHBondContact O-N 2.88Å; A661-L693 HydrophobicContact CB-CD2 4.24Å; A661-P694 VanDerWaalsContact CB-CD 3.5Å; A661-P694 HydrophobicContact CB-CG 3.86Å
662Q88.7Confident87.1Confident5 Ų511.6 Ų11.62%0.0236%0.061CC..Hα-helixtrans-61.4-49.4174.4-178.1-175.410.200111.6H237 R658 H659 A660 V664 G665 R666H237-Q662 PolarHBondContact CD2-OE1 3.23Å; H237-Q662 PolarHBondContact CE1-NE2 3.14Å; H237-Q662 VanDerWaalsContact NE2-CD 3.3Å; H237-Q662 PolarHBondContact NE2-NE2 2.69Å; H237-Q662 PolarHBondContact NE2-OE1 3.29Å; R658-Q662 VanDerWaalsContact O-CB 3.31Å; R658-Q662 WeakPolarHBondContact O-CB 3.37Å; R658-Q662 PolarHBondContact O-N 3.2Å; H659-Q662 PolarHBondContact O-N 3.45Å; A660-Q662 VanDerWaalsContact C-N 3.33Å; A660-Q662 PolarHBondContact O-N 3.31Å; Q662-V664 VanDerWaalsContact C-N 3.35Å; Q662-V664 PolarHBondContact O-N 3.11Å; Q662-G665 PolarHBondContact O-N 3.47Å; Q662-R666 WeakPolarHBondContact O-CG 3.43Å
663C88.9Confident87Confident0 Ų010.5 Ų10.50%06%0.055CC..Hα-helixtrans-60.5-46.5178.6-620000111.5F538 A600 M620 H659 A660 R666F538-C663 HydrophobicContact CD1-CB 4.29Å; F538-C663 HydrophobicContact CD2-CB 3.66Å; F538-C663 HydrophobicContact CE1-CB 4.33Å; F538-C663 HydrophobicContact CE2-CB 3.69Å; F538-C663 HydrophobicContact CG-CB 3.96Å; F538-C663 HydrophobicContact CZ-CB 4.03Å; A600-C663 VanDerWaalsContact CA-SG 3.58Å; A600-C663 PolarHBondContact O-SG 3.03Å; A600-C663 VanDerWaalsContact O-SG 3.38Å; M620-C663 HydrophobicContact CE-CB 3.95Å; M620-C663 HydrophobicContact SD-CB 3.46Å; M620-C663 WeakPolarHBondContact SD-CB 3.21Å; H659-C663 PolarHBondContact O-N 3.19Å; H659-C663 PolarHBondContact O-SG 2.86Å; A660-C663 PolarHBondContact O-N 3.37Å; C663-R666 PolarHBondContact O-N 3.21Å
664V87.9Confident87Confident0 Ų012.3 Ų12.30%06%0.062CC..Hα-helixtrans-68.6-41-178.5171.80000112.1V618 M620 A660 Q662 R666 A667 M677 F679V618-V664 HydrophobicContact CG1-CG2 4.26Å; M620-V664 HydrophobicContact CG-CG2 3.19Å; M620-V664 HydrophobicContact SD-CG2 3.8Å; A660-V664 WeakPolarHBondContact O-CB 3.27Å; A660-V664 VanDerWaalsContact O-CG2 3.28Å; A660-V664 WeakPolarHBondContact O-CG2 3.2Å; A660-V664 PolarHBondContact O-N 3.31Å; Q662-V664 VanDerWaalsContact C-N 3.35Å; Q662-V664 PolarHBondContact O-N 3.11Å; V664-R666 PolarHBondContact O-N 3.48Å; V664-A667 WeakPolarHBondContact O-CB 3.32Å; V664-A667 PolarHBondContact O-N 3.48Å; V664-A667 VanDerWaalsContact O-N 3.13Å; V664-M677 HydrophobicContact CG1-CB 3.52Å; V664-M677 HydrophobicContact CG1-CE 4.05Å; V664-M677 HydrophobicContact CG1-CG 3.39Å; V664-M677 HydrophobicContact CG1-SD 3.36Å; V664-M677 WeakPolarHBondContact CG1-SD 3.13Å; V664-F679 HydrophobicContact CB-CE1 4.5Å; V664-F679 HydrophobicContact CB-CZ 4.24Å; V664-F679 HydrophobicContact CG1-CE2 4.5Å; V664-F679 HydrophobicContact CG1-CZ 3.98Å; V664-F679 HydrophobicContact CG2-CE1 3.73Å; V664-F679 HydrophobicContact CG2-CZ 3.85Å
665G84.5Confident87Confident1 Ų112.3 Ų12.31%0.016%0.062CC..G310 helixtrans-66.6-6.8-179.100000114.5A661 Q662 A667A661-G665 WeakPolarHBondContact O-CA 3.45Å; A661-G665 PolarHBondContact O-N 2.88Å; Q662-G665 PolarHBondContact O-N 3.47Å; G665-A667 VanDerWaalsContact C-N 3.32Å
666R80.9Confident87.1Confident15 Ų1511.9 Ų11.96%0.0576%0.06CC..G310 helixtrans-77.1-16.9173-69.9177.5-176.7-73.9-10.5113.9S605 E606 I608 D609 F610 Q662 C663 V664 I668S605-R666 PolarHBondContact O-NE 3.07Å; S605-R666 PolarHBondContact O-NH2 2.94Å; E606-R666 VanDerWaalsContact CA-NH2 3.32Å; E606-R666 PolarHBondContact O-NH2 3.49Å; I608-R666 WeakPolarHBondContact O-CD 3.29Å; I608-R666 PolarHBondContact O-NH1 2.93Å; D609-R666 IonicContact OD1-NH1 3.76Å; D609-R666 PolarHBondContact OD1-NH1 3.37Å; F610-R666 HydrophobicContact CD2-CB 4.14Å; F610-R666 VanDerWaalsContact O-O 3.07Å; Q662-R666 WeakPolarHBondContact O-CG 3.43Å; C663-R666 PolarHBondContact O-N 3.21Å; V664-R666 PolarHBondContact O-N 3.48Å; R666-I668 PolarHBondContact O-N 3.4Å
667A81.7Confident87.3Confident0 Ų011.9 Ų11.90%06%0.06CC..G310 helixtrans-66-20.3-178.900000113.7V618 V664 G665 M677V618-A667 HydrophobicContact CB-CB 4.43Å; V618-A667 HydrophobicContact CG2-CB 3.59Å; V664-A667 WeakPolarHBondContact O-CB 3.32Å; V664-A667 PolarHBondContact O-N 3.48Å; V664-A667 VanDerWaalsContact O-N 3.13Å; G665-A667 VanDerWaalsContact C-N 3.32Å; A667-M677 HydrophobicContact CB-CE 4.25Å
668I83.3Confident87.4Confident3 Ų311.8 Ų11.82%0.0156%0.059CC..  trans-123127.1-172.2-60.4-179.9000110L490 R666 M677L490-I668 HydrophobicContact CB-CD1 3.39Å; L490-I668 HydrophobicContact CD2-CD1 4.07Å; L490-I668 HydrophobicContact CG-CD1 4.4Å; R666-I668 PolarHBondContact O-N 3.4Å; I668-M677 HydrophobicContact CD1-CE 3.41Å; I668-M677 VanDerWaalsContact CD1-CE 3.41Å; I668-M677 HydrophobicContact CG1-CE 3.79Å
669R78.9Confident87.7Confident72 Ų7211.7 Ų11.727%0.2726%0.059SC..SBendtrans-123.7-7.6178.7-64.1-65.8166.7164.30.1115G45 D609 V611G45-R669 WeakPolarHBondContact CA-O 3.16Å; D609-R669 VanDerWaalsContact CG-NH1 3.28Å; D609-R669 IonicContact OD1-CZ 2.67Å; D609-R669 IonicContact OD1-NH1 3.92Å; D609-R669 PolarHBondContact OD1-NH1 3.04Å; D609-R669 VanDerWaalsContact OD1-NH1 3.1Å; D609-R669 IonicContact OD1-NH2 2.94Å; D609-R669 PolarHBondContact OD1-NH2 3.24Å; D609-R669 IonicContact OD2-CZ 3.01Å; D609-R669 IonicContact OD2-NH1 2.97Å; V611-R669 HydrophobicContact CG2-CG 4.34Å
670G82.6Confident87.9Confident10 Ų1011.5 Ų11.510%0.1036%0.058CC..SBendtrans-165.8168.3175.600000111.2T672 D673G670-T672 PolarHBondContact O-N 2.97Å; G670-D673 VanDerWaalsContact O-CB 3.3Å; G670-D673 WeakPolarHBondContact O-CB 3.48Å; G670-D673 PolarHBondContact O-N 3.35Å
671K81.7Confident88Confident3 Ų311.5 Ų11.51%0.0136%0.058CC..THydrogen-bonded Turntrans-71.1-18.4179.4-58.5-163.1-176.9-171.60113.7Y18 E20 T484 L485 C489 D673 S737Y18-K671 HydrophobicContact CD1-CD 3.86Å; Y18-K671 HydrophobicContact CE1-CD 3.68Å; Y18-K671 HydrophobicContact CE1-CG 4.05Å; Y18-K671 HydrophobicContact CE2-CD 4.4Å; Y18-K671 HydrophobicContact CE2-CG 4.23Å; Y18-K671 HydrophobicContact CG-CD 4.27Å; E20-K671 IonicContact OE1-NZ 3.94Å; E20-K671 PolarHBondContact OE1-NZ 2.87Å; E20-K671 WeakPolarHBondContact OE2-CE 3.49Å; E20-K671 IonicContact OE2-NZ 2.61Å; E20-K671 PolarHBondContact OE2-NZ 3.25Å; T484-K671 PolarHBondContact O-NZ 3.46Å; L485-K671 HydrophobicContact CD2-CG 4.38Å; C489-K671 PolarHBondContact SG-O 2.87Å; K671-D673 VanDerWaalsContact C-N 3.29Å; K671-S737 PolarHBondContact NZ-O 3.26Å
672T84Confident88.2Confident88 Ų8816.1 Ų16.154%0.548%0.078SC..THydrogen-bonded Turntrans-80.1-16.2171.150.10000112.5G670G670-T672 PolarHBondContact O-N 2.97Å
673D87.8Confident88.3Confident3 Ų317.4 Ų17.42%0.0168%0.082CC..  trans-84.5155.7179.6-150.7-3.2000110.8C489 H612 R616 G670 K671C489-D673 VanDerWaalsContact CB-O 3.26Å; C489-D673 WeakPolarHBondContact CB-O 3.4Å; H612-D673 WeakPolarHBondContact CA-OD1 3.32Å; H612-D673 WeakPolarHBondContact CA-OD2 3.32Å; H612-D673 IonicContact CE1-OD2 3.67Å; H612-D673 IonicContact CG-OD2 2.77Å; H612-D673 PolarHBondContact N-OD2 3.1Å; H612-D673 VanDerWaalsContact N-OD2 3.07Å; H612-D673 VanDerWaalsContact ND1-CG 3.3Å; H612-D673 IonicContact ND1-OD1 2.72Å; H612-D673 IonicContact ND1-OD2 3.66Å; H612-D673 PolarHBondContact ND1-OD2 3.38Å; R616-D673 IonicContact CZ-OD1 3.94Å; R616-D673 IonicContact NH1-OD1 2.79Å; R616-D673 PolarHBondContact NH1-OD1 3.28Å; G670-D673 VanDerWaalsContact O-CB 3.3Å; G670-D673 WeakPolarHBondContact O-CB 3.48Å; G670-D673 PolarHBondContact O-N 3.35Å; K671-D673 VanDerWaalsContact C-N 3.29Å
674Y90.4Very high88.5Confident40 Ų4017.4 Ų17.416%0.1578%0.082CC..  trans-140.9141.8173.962-89.1000110.7C489 R616 F720 L721 M724C489-Y674 WeakPolarHBondContact O-CA 3.32Å; C489-Y674 WeakPolarHBondContact O-CB 3.4Å; R616-Y674 PolarHBondContact NH1-O 3.16Å; Y674-F720 HydrophobicContact CD2-CE1 4.32Å; Y674-L721 HydrophobicContact CD2-CD2 4.29Å; Y674-L721 HydrophobicContact CE2-CD2 3.87Å; Y674-M724 HydrophobicContact CD1-CB 4.14Å; Y674-M724 HydrophobicContact CD2-CB 3.79Å; Y674-M724 HydrophobicContact CD2-CG 4.34Å; Y674-M724 HydrophobicContact CE1-CB 4.45Å; Y674-M724 HydrophobicContact CE2-CB 4.13Å; Y674-M724 HydrophobicContact CG-CB 3.8Å; Y674-M724 HydrophobicContact CG-CG 4.24Å
675G91.1Very high88.6Confident0 Ų018.5 Ų18.50%09%0.092CC..EExtended strand (participates in β ladder)trans-146.1134.7-174.400000111.6C489 C491C489-G675 PolarHBondContact O-N 3.35Å; C491-G675 PolarHBondContact N-O 2.85Å
676L93.3Very high89Confident0 Ų025.2 Ų25.20%012%0.117CC..EExtended strand (participates in β ladder)trans-86.3132.5170.5-173.474.3000109.4C491 L493 M527 V531 R616 A617 V618 I678 S717 F720C491-L676 HydrophobicContact CB-CD1 3.91Å; L493-L676 HydrophobicContact CD1-CD1 3.77Å; L493-L676 HydrophobicContact CG-CD1 4.15Å; M527-L676 HydrophobicContact CE-CD2 3.2Å; V531-L676 HydrophobicContact CG2-CD2 4.47Å; R616-L676 PolarHBondContact O-N 2.75Å; A617-L676 WeakPolarHBondContact CA-O 3.23Å; A617-L676 HydrophobicContact CB-CB 4.01Å; A617-L676 HydrophobicContact CB-CD2 4.09Å; V618-L676 PolarHBondContact N-O 3.34Å; L676-I678 HydrophobicContact CD2-CD1 3.68Å; L676-I678 HydrophobicContact CD2-CG1 3.89Å; L676-I678 HydrophobicContact CG-CD1 4.3Å; L676-I678 HydrophobicContact CG-CG1 3.94Å; L676-S717 WeakPolarHBondContact CD2-OG 3.08Å; L676-F720 HydrophobicContact CD1-CD1 4.33Å
677M93.7Very high89.3Confident0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-121104.7-175.4-63178.8170.900109.2L490 C491 P492 L493 V664 A667 I668 W696L490-M677 HydrophobicContact CB-CE 4.41Å; L490-M677 HydrophobicContact CB-SD 4.46Å; C491-M677 PolarHBondContact O-N 2.86Å; P492-M677 CarbonylContact C-O 3.59Å; P492-M677 VanDerWaalsContact CA-O 3.26Å; P492-M677 WeakPolarHBondContact CA-O 2.91Å; P492-M677 HydrophobicContact CB-CB 4.38Å; L493-M677 PolarHBondContact N-O 3.28Å; V664-M677 HydrophobicContact CG1-CB 3.52Å; V664-M677 HydrophobicContact CG1-CE 4.05Å; V664-M677 HydrophobicContact CG1-CG 3.39Å; V664-M677 HydrophobicContact CG1-SD 3.36Å; V664-M677 WeakPolarHBondContact CG1-SD 3.13Å; A667-M677 HydrophobicContact CB-CE 4.25Å; I668-M677 HydrophobicContact CD1-CE 3.41Å; I668-M677 VanDerWaalsContact CD1-CE 3.41Å; I668-M677 HydrophobicContact CG1-CE 3.79Å; M677-W696 HydrophobicContact CE-CH2 4.15Å; M677-W696 HydrophobicContact CE-CZ3 4.07Å
678I94.7Very high89.6Confident0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-107.4122.4-173.9-50.3-179000110.1L493 V495 M527 V618 I619 M620 L676L493-I678 WeakPolarHBondContact O-CA 3.17Å; V495-I678 HydrophobicContact CB-CG2 4.4Å; V495-I678 HydrophobicContact CG2-CG2 3.59Å; M527-I678 HydrophobicContact CE-CD1 3.2Å; M527-I678 HydrophobicContact CE-CG1 4.45Å; M527-I678 HydrophobicContact CG-CD1 4.07Å; M527-I678 HydrophobicContact SD-CD1 4.23Å; V618-I678 PolarHBondContact O-N 3.35Å; I619-I678 HydrophobicContact CD1-CD1 4.21Å; I619-I678 HydrophobicContact CG1-CB 4.3Å; I619-I678 HydrophobicContact CG1-CD1 3.99Å; I619-I678 HydrophobicContact CG1-CG1 4.47Å; I619-I678 HydrophobicContact CG2-CB 4.36Å; I619-I678 HydrophobicContact CG2-CG2 4.46Å; M620-I678 PolarHBondContact N-O 3.42Å; L676-I678 HydrophobicContact CD2-CD1 3.68Å; L676-I678 HydrophobicContact CD2-CG1 3.89Å; L676-I678 HydrophobicContact CG-CD1 4.3Å; L676-I678 HydrophobicContact CG-CG1 3.94Å
679F95.6Very high89.9Confident0 Ų031.3 Ų31.30%016%0.157CC..EExtended strand (participates in β ladder)trans-102.3100.5172.2-63.5-82000109.5P492 L493 I494 V495 M620 V664 D681 Y684 L693P492-F679 HydrophobicContact CB-CE2 4.27Å; L493-F679 PolarHBondContact O-N 3.28Å; I494-F679 HydrophobicContact CG1-CB 4.22Å; I494-F679 HydrophobicContact CG1-CD2 4.39Å; V495-F679 PolarHBondContact N-O 2.92Å; M620-F679 HydrophobicContact CB-CD1 4.26Å; M620-F679 HydrophobicContact CG-CD1 4.27Å; M620-F679 HydrophobicContact CG-CE1 4.37Å; V664-F679 HydrophobicContact CB-CE1 4.5Å; V664-F679 HydrophobicContact CB-CZ 4.24Å; V664-F679 HydrophobicContact CG1-CE2 4.5Å; V664-F679 HydrophobicContact CG1-CZ 3.98Å; V664-F679 HydrophobicContact CG2-CE1 3.73Å; V664-F679 HydrophobicContact CG2-CZ 3.85Å; F679-D681 PolarHBondContact O-N 3.01Å; F679-Y684 HydrophobicContact CB-CD1 4.41Å; F679-Y684 HydrophobicContact CB-CD2 3.68Å; F679-Y684 HydrophobicContact CB-CE2 4.09Å; F679-Y684 HydrophobicContact CB-CG 3.86Å; F679-Y684 AromaticContact CD1-CD1 3.87Å; F679-Y684 HydrophobicContact CD1-CD1 3.87Å; F679-Y684 HydrophobicContact CD1-CD2 4.3Å; F679-Y684 AromaticContact CD1-CE1 3.68Å; F679-Y684 HydrophobicContact CD1-CE1 3.68Å; F679-Y684 HydrophobicContact CD1-CE2 4.12Å; F679-Y684 HydrophobicContact CD1-CG 4.18Å; F679-Y684 AromaticContact CD1-CZ 3.82Å; F679-Y684 HydrophobicContact CE1-CE1 4.19Å; F679-Y684 HydrophobicContact CG-CD1 4.34Å; F679-Y684 HydrophobicContact CG-CD2 4.4Å; F679-Y684 HydrophobicContact CG-CG 4.27Å; F679-L693 HydrophobicContact CE1-CD2 4.45Å; F679-L693 HydrophobicContact CZ-CD1 4.38Å; F679-L693 HydrophobicContact CZ-CD2 4.42Å
680A94.9Very high90.4Very high0 Ų031.5 Ų31.50%016%0.158CC..EExtended strand (participates in β ladder)trans-91.967.2-175.400000111.8V495 Y520 L523 I619 M620 F621 G622V495-A680 CarbonylContact O-C 3.52Å; Y520-A680 HydrophobicContact CD1-CB 4.33Å; Y520-A680 HydrophobicContact CE1-CB 3.9Å; Y520-A680 VanDerWaalsContact CE1-O 3.29Å; Y520-A680 WeakPolarHBondContact CE1-O 3.48Å; Y520-A680 PolarHBondContact OH-O 3.35Å; L523-A680 HydrophobicContact CD2-CB 3.64Å; I619-A680 HydrophobicContact CG2-CB 4.47Å; M620-A680 WeakPolarHBondContact O-CB 3.35Å; M620-A680 PolarHBondContact O-N 3.41Å; F621-A680 HydrophobicContact CD1-CB 3.97Å; F621-A680 HydrophobicContact CE1-CB 4.35Å; G622-A680 PolarHBondContact N-O 3.21Å
681D93.8Very high90.6Very high0 Ų033 Ų330%017%0.174CC..SBendtrans-164.4132.5170.7-161.7-60.4000109.6V495 S506 V623 F679 R683 Y684V495-D681 PolarHBondContact O-N 3.19Å; S506-D681 PolarHBondContact N-OD2 2.99Å; S506-D681 PolarHBondContact OG-OD2 3.32Å; V623-D681 HydrophobicContact CG2-CB 4.21Å; F679-D681 PolarHBondContact O-N 3.01Å; D681-R683 PolarHBondContact O-N 3.2Å; D681-R683 WeakPolarHBondContact OD1-CB 3.46Å; D681-R683 WeakPolarHBondContact OD1-CG 3.46Å; D681-R683 IonicContact OD1-CZ 3.24Å; D681-R683 PolarHBondContact OD1-N 3Å; D681-R683 IonicContact OD1-NE 3.92Å; D681-R683 PolarHBondContact OD1-NE 3.46Å; D681-R683 IonicContact OD1-NH2 2.79Å; D681-R683 IonicContact OD2-CZ 3.86Å; D681-R683 IonicContact OD2-NE 3.06Å; D681-R683 PolarHBondContact OD2-NE 3.29Å; D681-R683 IonicContact OD2-NH2 3.94Å; D681-R683 PolarHBondContact OD2-NH2 2.95Å; D681-Y684 HydrophobicContact CB-CD2 3.71Å; D681-Y684 HydrophobicContact CB-CE2 3.86Å; D681-Y684 PolarHBondContact O-N 2.93Å
682K93.4Very high91Very high99 Ų9934 Ų3443%0.4318%0.178SC..G310 helixtrans-55.9-26.6176.5-176.7174.5178.9178.20112.5A503 L504 Y684 A685A503-K682 HydrophobicContact CB-CD 3.98Å; L504-K682 WeakPolarHBondContact O-CB 3.43Å; L504-K682 PolarHBondContact O-N 3.33Å; K682-Y684 VanDerWaalsContact C-N 3.28Å; K682-Y684 PolarHBondContact O-N 3.31Å; K682-A685 WeakPolarHBondContact O-CB 3.41Å; K682-A685 PolarHBondContact O-N 3.25Å
683R91.9Very high91.3Very high31 Ų3129.9 Ų29.912%0.11715%0.153CC..G310 helixtrans-66.5-25.1-177.2-66.7177-64.5171.90.8113.5S506 V623 D681 A685 R686 K689S506-R683 PolarHBondContact OG-NH2 3.34Å; V623-R683 HydrophobicContact CG2-CB 4.15Å; D681-R683 PolarHBondContact O-N 3.2Å; D681-R683 WeakPolarHBondContact OD1-CB 3.46Å; D681-R683 WeakPolarHBondContact OD1-CG 3.46Å; D681-R683 IonicContact OD1-CZ 3.24Å; D681-R683 PolarHBondContact OD1-N 3Å; D681-R683 IonicContact OD1-NE 3.92Å; D681-R683 PolarHBondContact OD1-NE 3.46Å; D681-R683 IonicContact OD1-NH2 2.79Å; D681-R683 IonicContact OD2-CZ 3.86Å; D681-R683 IonicContact OD2-NE 3.06Å; D681-R683 PolarHBondContact OD2-NE 3.29Å; D681-R683 IonicContact OD2-NH2 3.94Å; D681-R683 PolarHBondContact OD2-NH2 2.95Å; R683-A685 PolarHBondContact O-N 3.28Å; R683-R686 PolarHBondContact O-N 2.98Å; R683-K689 HydrophobicContact CB-CD 4.06Å; R683-K689 WeakPolarHBondContact O-CD 3.46Å
684Y92.3Very high91.4Very high0 Ų029.8 Ų29.80%015%0.152CC..G310 helixtrans-66.2-22.7176.4-72.5-78.6000112.9G622 V623 P624 M657 A660 F679 D681 K682 R686G622-Y684 VanDerWaalsContact O-CE2 3.3Å; G622-Y684 WeakPolarHBondContact O-CE2 3.29Å; G622-Y684 PolarHBondContact O-OH 3.26Å; V623-Y684 HydrophobicContact CG2-CD2 4.13Å; V623-Y684 HydrophobicContact CG2-CE1 4.38Å; V623-Y684 HydrophobicContact CG2-CE2 3.66Å; P624-Y684 WeakPolarHBondContact CD-OH 3.5Å; M657-Y684 HydrophobicContact CE-CD1 4Å; M657-Y684 HydrophobicContact CE-CE1 3.43Å; M657-Y684 VanDerWaalsContact CE-CE1 3.43Å; M657-Y684 HydrophobicContact SD-CD1 3.84Å; M657-Y684 HydrophobicContact SD-CE1 3.7Å; A660-Y684 HydrophobicContact CB-CE1 4.13Å; F679-Y684 HydrophobicContact CB-CD1 4.41Å; F679-Y684 HydrophobicContact CB-CD2 3.68Å; F679-Y684 HydrophobicContact CB-CE2 4.09Å; F679-Y684 HydrophobicContact CB-CG 3.86Å; F679-Y684 AromaticContact CD1-CD1 3.87Å; F679-Y684 HydrophobicContact CD1-CD1 3.87Å; F679-Y684 HydrophobicContact CD1-CD2 4.3Å; F679-Y684 AromaticContact CD1-CE1 3.68Å; F679-Y684 HydrophobicContact CD1-CE1 3.68Å; F679-Y684 HydrophobicContact CD1-CE2 4.12Å; F679-Y684 HydrophobicContact CD1-CG 4.18Å; F679-Y684 AromaticContact CD1-CZ 3.82Å; F679-Y684 HydrophobicContact CE1-CE1 4.19Å; F679-Y684 HydrophobicContact CG-CD1 4.34Å; F679-Y684 HydrophobicContact CG-CD2 4.4Å; F679-Y684 HydrophobicContact CG-CG 4.27Å; D681-Y684 HydrophobicContact CB-CD2 3.71Å; D681-Y684 HydrophobicContact CB-CE2 3.86Å; D681-Y684 PolarHBondContact O-N 2.93Å; K682-Y684 VanDerWaalsContact C-N 3.28Å; K682-Y684 PolarHBondContact O-N 3.31Å; Y684-R686 PolarHBondContact O-N 3.44Å
685A90.8Very high91.3Very high24 Ų2432.4 Ų32.420%0.19816%0.162CC..G310 helixtrans-71.9-14.617700000113.5I494 K682 R683 L706 N707I494-A685 HydrophobicContact CG2-CB 4.22Å; K682-A685 WeakPolarHBondContact O-CB 3.41Å; K682-A685 PolarHBondContact O-N 3.25Å; R683-A685 PolarHBondContact O-N 3.28Å; A685-L706 HydrophobicContact CB-CD2 4.12Å; A685-L706 HydrophobicContact CB-CG 4.21Å; A685-N707 HydrophobicContact CB-CB 4.3Å
686R91.5Very high91.1Very high141 Ų14132.5 Ų32.553%0.53216%0.162SC..SBendtrans-72.4142177.8-65.2173.550147.30.6110.6R683 Y684 D688 K689 R690R683-R686 PolarHBondContact O-N 2.98Å; Y684-R686 PolarHBondContact O-N 3.44Å; R686-D688 VanDerWaalsContact C-N 3.3Å; R686-D688 WeakPolarHBondContact CB-OD1 3.37Å; R686-D688 IonicContact CZ-OD2 2.83Å; R686-D688 IonicContact NE-OD1 2.83Å; R686-D688 PolarHBondContact NE-OD1 2.97Å; R686-D688 IonicContact NE-OD2 3.57Å; R686-D688 PolarHBondContact NE-OD2 3.28Å; R686-D688 IonicContact NH2-OD2 2.73Å; R686-D688 PolarHBondContact NH2-OD2 2.82Å; R686-D688 PolarHBondContact O-N 2.77Å; R686-K689 PolarHBondContact O-N 3.15Å; R686-R690 WeakPolarHBondContact O-CB 3.5Å; R686-R690 PolarHBondContact O-N 2.68Å
687S88.1Confident90.9Very high94 Ų9432.5 Ų32.566%0.65716%0.162SC*.Hα-helixtrans-60.8-35.2-177.152.30000113.8K689 G691S687-K689 VanDerWaalsContact C-N 3.27Å; S687-K689 PolarHBondContact O-N 3.01Å; S687-G691 PolarHBondContact O-N 3.36Å
688D87.8Confident90.7Very high44 Ų4435.3 Ų35.324%0.23518%0.176CC..Hα-helixtrans-61.6-32.117858.8-9.7000113.8R686R686-D688 VanDerWaalsContact C-N 3.3Å; R686-D688 WeakPolarHBondContact CB-OD1 3.37Å; R686-D688 IonicContact CZ-OD2 2.83Å; R686-D688 IonicContact NE-OD1 2.83Å; R686-D688 PolarHBondContact NE-OD1 2.97Å; R686-D688 IonicContact NE-OD2 3.57Å; R686-D688 PolarHBondContact NE-OD2 3.28Å; R686-D688 IonicContact NH2-OD2 2.73Å; R686-D688 PolarHBondContact NH2-OD2 2.82Å; R686-D688 PolarHBondContact O-N 2.77Å
689K89.6Confident90.4Very high8 Ų839.8 Ų39.84%0.03520%0.196CC..Hα-helixtrans-91.8-49.8178.7-78.1166.1-179.8-168.60111.6Y625 T653 M657 R683 R686 S687 G691 K692Y625-K689 WeakPolarHBondContact OH-CE 3.37Å; Y625-K689 PolarHBondContact OH-NZ 3.43Å; T653-K689 HydrophobicContact CG2-CB 4.42Å; T653-K689 HydrophobicContact CG2-CG 3.47Å; T653-K689 VanDerWaalsContact CG2-CG 3.47Å; M657-K689 HydrophobicContact CE-CG 4.41Å; M657-K689 HydrophobicContact SD-CB 3.91Å; M657-K689 HydrophobicContact SD-CG 4.24Å; R683-K689 HydrophobicContact CB-CD 4.06Å; R683-K689 WeakPolarHBondContact O-CD 3.46Å; R686-K689 PolarHBondContact O-N 3.15Å; S687-K689 VanDerWaalsContact C-N 3.27Å; S687-K689 PolarHBondContact O-N 3.01Å; K689-G691 VanDerWaalsContact C-N 3.26Å; K689-G691 PolarHBondContact O-N 3.19Å; K689-K692 PolarHBondContact O-N 3.05Å
690R89.3Confident90Very high76 Ų7641.6 Ų41.629%0.28721%0.205SC..Hα-helixtrans-55.7-43.5178.9-171.7178.171.4172.52.5111.3R686 K692 L693 Q698 I701R686-R690 WeakPolarHBondContact O-CB 3.5Å; R686-R690 PolarHBondContact O-N 2.68Å; R690-K692 PolarHBondContact O-N 3.47Å; R690-L693 PolarHBondContact O-N 2.96Å; R690-Q698 VanDerWaalsContact O-CD 3.28Å; R690-Q698 PolarHBondContact O-NE2 3.36Å; R690-I701 HydrophobicContact CG-CD1 4.34Å
691G88.1Confident89.7Confident42 Ų4242.3 Ų42.343%0.43321%0.208SC..THydrogen-bonded Turntrans-67-14.2-18000000115S687 K689 Q698S687-G691 PolarHBondContact O-N 3.36Å; K689-G691 VanDerWaalsContact C-N 3.26Å; K689-G691 PolarHBondContact O-N 3.19Å; G691-Q698 PolarHBondContact O-NE2 2.97Å
692K89.8Confident89.3Confident25 Ų2547.2 Ų47.211%0.10923%0.234CC..THydrogen-bonded Turntrans-97.5-1.2176.7-68.9-179.4-177.6176.20113.4S462 D650 T653 M657 K689 R690S462-K692 WeakPolarHBondContact CB-O 3.41Å; S462-K692 PolarHBondContact OG-O 2.77Å; S462-K692 VanDerWaalsContact OG-O 3.11Å; D650-K692 PolarHBondContact O-NZ 3.05Å; D650-K692 IonicContact OD1-NZ 2.73Å; D650-K692 PolarHBondContact OD1-NZ 3.46Å; T653-K692 HydrophobicContact CG2-CD 3.87Å; M657-K692 HydrophobicContact CB-CB 4.09Å; M657-K692 HydrophobicContact CG-CB 4Å; K689-K692 PolarHBondContact O-N 3.05Å; R690-K692 PolarHBondContact O-N 3.47Å
693L90.5Very high88.8Confident0 Ų048.8 Ų48.80%025%0.248CC..SBendtrans-70.2159.1168.7-67.4173.8000109.8S462 M657 A661 F679 R690 Q698 I701S462-L693 PolarHBondContact OG-O 3.42Å; M657-L693 HydrophobicContact SD-CD2 4.22Å; A661-L693 HydrophobicContact CB-CD2 4.24Å; F679-L693 HydrophobicContact CE1-CD2 4.45Å; F679-L693 HydrophobicContact CZ-CD1 4.38Å; F679-L693 HydrophobicContact CZ-CD2 4.42Å; R690-L693 PolarHBondContact O-N 2.96Å; L693-Q698 HydrophobicContact CB-CG 3.98Å; L693-Q698 PolarHBondContact O-NE2 3.32Å; L693-I701 HydrophobicContact CD1-CD1 4.01Å
694P89.1Confident88.4Confident1 Ų150.2 Ų50.21%0.00627%0.272CS..  trans-57.7143.2171-27.936.7000112.3E41 T460 A661 W696 I697 Q698E41-P694 WeakPolarHBondContact OE1-CB 3.4Å; T460-P694 HydrophobicContact CG2-CG 4.24Å; A661-P694 VanDerWaalsContact CB-CD 3.5Å; A661-P694 HydrophobicContact CB-CG 3.86Å; P694-W696 VanDerWaalsContact C-N 3.28Å; P694-W696 VanDerWaalsContact CB-CD1 3.46Å; P694-W696 HydrophobicContact CB-CG 4.25Å; P694-W696 PolarHBondContact O-N 2.68Å; P694-I697 HydrophobicContact CB-CG1 4.42Å; P694-I697 HydrophobicContact CG-CD1 4.31Å; P694-I697 PolarHBondContact O-N 3.35Å; P694-Q698 PolarHBondContact O-N 2.99Å; P694-Q698 VanDerWaalsContact O-N 3.12Å
695R87.6Confident88Confident95 Ų9550.8 Ų50.836%0.35828%0.276SS..Hα-helixtrans-57.1-41.4-177.4-73.6-171179-173.95.3112.7I697 Q698 E699R695-I697 PolarHBondContact O-N 2.73Å; R695-I697 VanDerWaalsContact O-N 3.11Å; R695-Q698 PolarHBondContact O-N 3.03Å; R695-E699 WeakPolarHBondContact O-CG 3.46Å; R695-E699 PolarHBondContact O-N 3.36Å
696W87.4Confident87.9Confident2 Ų251.8 Ų51.81%0.00828%0.278CS..Hα-helixtrans-61.9-19.5178.168.5-97000113.9P43 G459 M483 L490 M677 P694 H700P43-W696 HydrophobicContact CB-CB 4.34Å; P43-W696 HydrophobicContact CB-CD2 4.14Å; P43-W696 HydrophobicContact CB-CG 3.9Å; P43-W696 HydrophobicContact CG-CB 3.94Å; P43-W696 HydrophobicContact CG-CG 3.9Å; G459-W696 PolarHBondContact O-NE1 3.32Å; G459-W696 VanDerWaalsContact O-NE1 3.09Å; M483-W696 HydrophobicContact CB-CB 4.09Å; M483-W696 HydrophobicContact CE-CE3 3.97Å; M483-W696 HydrophobicContact CE-CZ3 4.38Å; L490-W696 HydrophobicContact CD2-CE3 3.77Å; L490-W696 HydrophobicContact CD2-CZ3 3.85Å; M677-W696 HydrophobicContact CE-CH2 4.15Å; M677-W696 HydrophobicContact CE-CZ3 4.07Å; P694-W696 VanDerWaalsContact C-N 3.28Å; P694-W696 VanDerWaalsContact CB-CD1 3.46Å; P694-W696 HydrophobicContact CB-CG 4.25Å; P694-W696 PolarHBondContact O-N 2.68Å; W696-H700 PolarHBondContact O-CD2 2.81Å; W696-H700 VanDerWaalsContact O-CD2 3.31Å
697I89.7Confident87.8Confident0 Ų046.8 Ų46.80%026%0.262CS..Hα-helixtrans-87.4-44.4169.4-57.9-178.1000109.8P492 P694 R695 E699 H700 I701P492-I697 HydrophobicContact CB-CG2 3.97Å; P492-I697 HydrophobicContact CG-CG2 4.26Å; P694-I697 HydrophobicContact CB-CG1 4.42Å; P694-I697 HydrophobicContact CG-CD1 4.31Å; P694-I697 PolarHBondContact O-N 3.35Å; R695-I697 PolarHBondContact O-N 2.73Å; R695-I697 VanDerWaalsContact O-N 3.11Å; I697-E699 VanDerWaalsContact C-N 3.31Å; I697-E699 PolarHBondContact O-N 3.08Å; I697-H700 PolarHBondContact O-N 2.93Å; I697-I701 HydrophobicContact CG2-CD1 4.3Å; I697-I701 PolarHBondContact O-N 3.34Å
698Q89.1Confident88Confident60 Ų6042.8 Ų42.828%0.2823%0.233SC..Hα-helixtrans-59.2-38.8-176.2-66.6-174.626.600113.2R690 G691 L693 P694 R695 H700 I701R690-Q698 VanDerWaalsContact O-CD 3.28Å; R690-Q698 PolarHBondContact O-NE2 3.36Å; G691-Q698 PolarHBondContact O-NE2 2.97Å; L693-Q698 HydrophobicContact CB-CG 3.98Å; L693-Q698 PolarHBondContact O-NE2 3.32Å; P694-Q698 PolarHBondContact O-N 2.99Å; P694-Q698 VanDerWaalsContact O-N 3.12Å; R695-Q698 PolarHBondContact O-N 3.03Å; Q698-H700 PolarHBondContact O-N 3.18Å; Q698-H700 VanDerWaalsContact O-N 3.15Å; Q698-I701 PolarHBondContact O-N 3.25Å
699E87.4Confident88.3Confident93 Ų9341.4 Ų41.444%0.43523%0.226SC..THydrogen-bonded Turntrans-59.4-24.4179.9-76.3165.7-165.300113.7T482 R695 I697T482-E699 WeakPolarHBondContact CG2-OE1 3.48Å; R695-E699 WeakPolarHBondContact O-CG 3.46Å; R695-E699 PolarHBondContact O-N 3.36Å; I697-E699 VanDerWaalsContact C-N 3.31Å; I697-E699 PolarHBondContact O-N 3.08Å
700H88.6Confident88.5Confident39 Ų3941 Ų4118%0.18122%0.224CC..THydrogen-bonded Turntrans-104.52.4180-62.5-59.2000113.2L490 P492 W696 I697 Q698 N702L490-H700 HydrophobicContact CD1-CB 3.37Å; L490-H700 WeakPolarHBondContact CD1-CD2 3.4Å; L490-H700 HydrophobicContact CG-CB 4.32Å; P492-H700 HydrophobicContact CG-CB 4.12Å; P492-H700 WeakPolarHBondContact CG-O 3.01Å; W696-H700 PolarHBondContact O-CD2 2.81Å; W696-H700 VanDerWaalsContact O-CD2 3.31Å; I697-H700 PolarHBondContact O-N 2.93Å; Q698-H700 PolarHBondContact O-N 3.18Å; Q698-H700 VanDerWaalsContact O-N 3.15Å; H700-N702 PolarHBondContact O-N 2.82Å
701I87.2Confident88.6Confident14 Ų1441 Ų417%0.07223%0.23CC..  trans-83.393.8170.1-60.9172.5000107.9P492 I494 R690 L693 I697 Q698 L706P492-I701 HydrophobicContact CB-CD1 4.46Å; P492-I701 HydrophobicContact CB-CG1 3.76Å; P492-I701 HydrophobicContact CG-CB 4.36Å; P492-I701 HydrophobicContact CG-CG1 3.43Å; P492-I701 VanDerWaalsContact CG-CG1 3.43Å; I494-I701 HydrophobicContact CD1-CG2 4.28Å; R690-I701 HydrophobicContact CG-CD1 4.34Å; L693-I701 HydrophobicContact CD1-CD1 4.01Å; I697-I701 HydrophobicContact CG2-CD1 4.3Å; I697-I701 PolarHBondContact O-N 3.34Å; Q698-I701 PolarHBondContact O-N 3.25Å; I701-L706 HydrophobicContact CG2-CD1 3.65Å
702N86.1Confident88.9Confident103 Ų10343.3 Ų43.355%0.55123%0.23SC*.  trans-72.3152.8173.3-64.5-23.9000110.8H700 G704 S705H700-N702 PolarHBondContact O-N 2.82Å; N702-G704 PolarHBondContact O-N 3.22Å; N702-S705 WeakPolarHBondContact O-CA 3.4Å; N702-S705 WeakPolarHBondContact O-CB 3.31Å; N702-S705 PolarHBondContact O-N 3.48Å
703D82.9Confident89Confident132 Ų13242.1 Ų42.171%0.70622%0.224SC*.G310 helixtrans-61.1-30.5175.2-72.5-34.3000112.2S705 L706D703-S705 PolarHBondContact O-N 3Å; D703-L706 WeakPolarHBondContact O-CB 3.35Å; D703-L706 PolarHBondContact O-N 3.42Å
704G82.9Confident89.2Confident61 Ų6142.7 Ų42.763%0.62923%0.228SC*.G310 helixtrans-69.8-14.9172.300000114.4N702 L708N702-G704 PolarHBondContact O-N 3.22Å; G704-L708 VanDerWaalsContact O-CD2 3.3Å; G704-L708 WeakPolarHBondContact O-CD2 3.39Å
705S83.8Confident89.4Confident12 Ų1248.9 Ų48.98%0.08426%0.256CS..G310 helixtrans-973.9176.6-57.90000112.6I494 N702 D703I494-S705 PolarHBondContact N-O 3.24Å; I494-S705 VanDerWaalsContact N-O 3.12Å; N702-S705 WeakPolarHBondContact O-CA 3.4Å; N702-S705 WeakPolarHBondContact O-CB 3.31Å; N702-S705 PolarHBondContact O-N 3.48Å; D703-S705 PolarHBondContact O-N 3Å
706L88.8Confident89.7Confident46 Ų4647.5 Ų47.524%0.24126%0.256CS..SBendtrans-92128.5-175.8-139.691.5000111.4I494 A685 I701 D703 L708I494-L706 HydrophobicContact CD1-CD1 3.94Å; I494-L706 HydrophobicContact CD1-CG 4.49Å; A685-L706 HydrophobicContact CB-CD2 4.12Å; A685-L706 HydrophobicContact CB-CG 4.21Å; I701-L706 HydrophobicContact CG2-CD1 3.65Å; D703-L706 WeakPolarHBondContact O-CB 3.35Å; D703-L706 PolarHBondContact O-N 3.42Å; L706-L708 PolarHBondContact O-N 3.15Å
707N89.7Confident90Very high36 Ų3647.4 Ų47.419%0.19326%0.255CS..SBendtrans54.848.5173.9179.967000113.2I494 R497 A685I494-N707 CarbonylContact O-C 3.52Å; I494-N707 VanDerWaalsContact O-CA 3.32Å; I494-N707 WeakPolarHBondContact O-CA 3.33Å; I494-N707 PolarHBondContact O-N 2.99Å; I494-N707 VanDerWaalsContact O-N 3.08Å; R497-N707 PolarHBondContact NE-ND2 2.88Å; R497-N707 VanDerWaalsContact NE-ND2 3.14Å; R497-N707 PolarHBondContact NH2-ND2 2.67Å; A685-N707 HydrophobicContact CB-CB 4.3Å
708L92.6Very high90.2Very high10 Ų1052 Ų525%0.05228%0.275CS..BIsolated β-bridgetrans-69.5155.6176.9-65.5170.8000112.5L493 I494 G496 R497 G704 L706 E712 A713 L716L493-L708 HydrophobicContact CB-CD1 4.14Å; L493-L708 HydrophobicContact CD2-CD1 3.86Å; L493-L708 HydrophobicContact CG-CD1 4.41Å; I494-L708 PolarHBondContact O-N 3.26Å; G496-L708 PolarHBondContact N-O 3.49Å; R497-L708 PolarHBondContact N-O 3.34Å; G704-L708 VanDerWaalsContact O-CD2 3.3Å; G704-L708 WeakPolarHBondContact O-CD2 3.39Å; L706-L708 PolarHBondContact O-N 3.15Å; L708-E712 HydrophobicContact CD2-CB 4.12Å; L708-A713 HydrophobicContact CB-CB 4.37Å; L708-A713 HydrophobicContact CD1-CB 4.26Å; L708-L716 HydrophobicContact CD1-CD1 3.68Å; L708-L716 HydrophobicContact CD2-CD1 4Å
709T94.3Very high90.4Very high14 Ų1455.1 Ų55.19%0.08629%0.29CS..  trans-78.3166.4160.2600000111.1R497 E712 A713R497-T709 HydrophobicContact CB-CG2 4.12Å; R497-T709 WeakPolarHBondContact O-CA 3.21Å; T709-E712 PolarHBondContact N-OE2 2.9Å; T709-E712 WeakPolarHBondContact OG1-CB 3.47Å; T709-E712 WeakPolarHBondContact OG1-CG 3.33Å; T709-E712 PolarHBondContact OG1-N 3.27Å; T709-E712 PolarHBondContact OG1-OE2 3.31Å; T709-A713 WeakPolarHBondContact O-CB 3.4Å; T709-A713 PolarHBondContact O-N 3.28Å
710V92.9Very high90.7Very high0 Ų051.2 Ų51.20%027%0.271CS..Hα-helixtrans-63.7-48.4179.8174.80000110.4V495 R497 N499 L523 E526 E712 A713 V714V495-V710 HydrophobicContact CG1-CG2 3.98Å; R497-V710 PolarHBondContact O-N 2.97Å; N499-V710 WeakPolarHBondContact OD1-CB 3.35Å; L523-V710 HydrophobicContact CB-CG1 4.05Å; L523-V710 HydrophobicContact CB-CG2 4.09Å; L523-V710 HydrophobicContact CD1-CB 4.48Å; L523-V710 HydrophobicContact CD1-CG1 3.84Å; L523-V710 HydrophobicContact CD1-CG2 4.27Å; E526-V710 WeakPolarHBondContact OE2-CG1 3.4Å; V710-E712 PolarHBondContact O-N 3.36Å; V710-A713 WeakPolarHBondContact O-CB 3.38Å; V710-A713 PolarHBondContact O-N 3Å; V710-V714 HydrophobicContact CG1-CG2 4.46Å; V710-V714 VanDerWaalsContact O-CG2 3.24Å; V710-V714 WeakPolarHBondContact O-CG2 3.23Å; V710-V714 PolarHBondContact O-N 3.4Å
711D93Very high90.9Very high75 Ų7550 Ų5040%0.40127%0.266SS..Hα-helixtrans-60-44178.5-70.7-18.5000113.4N499 A713 V714 Q715N499-D711 PolarHBondContact ND2-OD1 3.16Å; N499-D711 VanDerWaalsContact OD1-CG 3.3Å; N499-D711 PolarHBondContact OD1-N 3.06Å; N499-D711 VanDerWaalsContact OD1-N 3.11Å; N499-D711 PolarHBondContact OD1-OD1 3.38Å; D711-A713 VanDerWaalsContact C-N 3.33Å; D711-A713 PolarHBondContact O-N 3.35Å; D711-V714 WeakPolarHBondContact O-CB 3.49Å; D711-V714 PolarHBondContact O-N 2.92Å; D711-Q715 WeakPolarHBondContact O-CG 3.37Å; D711-Q715 PolarHBondContact O-N 3.47Å
712E92.6Very high91.1Very high92 Ų9258.5 Ų58.543%0.4330%0.298SS..Hα-helixtrans-62.6-41.9176.9-72.8165.2160.100111.2L708 T709 V710 V714 Q715 L716L708-E712 HydrophobicContact CD2-CB 4.12Å; T709-E712 PolarHBondContact N-OE2 2.9Å; T709-E712 WeakPolarHBondContact OG1-CB 3.47Å; T709-E712 WeakPolarHBondContact OG1-CG 3.33Å; T709-E712 PolarHBondContact OG1-N 3.27Å; T709-E712 PolarHBondContact OG1-OE2 3.31Å; V710-E712 PolarHBondContact O-N 3.36Å; E712-V714 VanDerWaalsContact C-N 3.3Å; E712-V714 PolarHBondContact O-N 3.16Å; E712-Q715 PolarHBondContact O-N 3.24Å; E712-L716 WeakPolarHBondContact O-CG 3.4Å; E712-L716 PolarHBondContact O-N 3.27Å
713A92.9Very high91.3Very high0 Ų057.6 Ų57.60%029%0.29CS..Hα-helixtrans-62.4-40.1176.700000111.4L493 V495 L708 T709 V710 D711 L716 S717L493-A713 HydrophobicContact CD1-CB 4.31Å; V495-A713 HydrophobicContact CG2-CB 3.55Å; L708-A713 HydrophobicContact CB-CB 4.37Å; L708-A713 HydrophobicContact CD1-CB 4.26Å; T709-A713 WeakPolarHBondContact O-CB 3.4Å; T709-A713 PolarHBondContact O-N 3.28Å; V710-A713 WeakPolarHBondContact O-CB 3.38Å; V710-A713 PolarHBondContact O-N 3Å; D711-A713 VanDerWaalsContact C-N 3.33Å; D711-A713 PolarHBondContact O-N 3.35Å; A713-L716 PolarHBondContact O-N 2.82Å; A713-S717 VanDerWaalsContact O-CB 3.27Å; A713-S717 WeakPolarHBondContact O-CB 3.26Å; A713-S717 PolarHBondContact O-N 3Å; A713-S717 PolarHBondContact O-OG 3.41Å
714V94.6Very high91.6Very high11 Ų1151.5 Ų51.57%0.06726%0.257CS..Hα-helixtrans-64.1-42.1175.8173.40000111.2E526 M527 V530 V710 D711 E712 S717 K718E526-V714 HydrophobicContact CB-CG2 3.71Å; M527-V714 HydrophobicContact SD-CB 4.32Å; M527-V714 HydrophobicContact SD-CG2 3.53Å; M527-V714 VanDerWaalsContact SD-CG2 3.53Å; V530-V714 HydrophobicContact CG2-CG1 3.72Å; V710-V714 HydrophobicContact CG1-CG2 4.46Å; V710-V714 VanDerWaalsContact O-CG2 3.24Å; V710-V714 WeakPolarHBondContact O-CG2 3.23Å; V710-V714 PolarHBondContact O-N 3.4Å; D711-V714 WeakPolarHBondContact O-CB 3.49Å; D711-V714 PolarHBondContact O-N 2.92Å; E712-V714 VanDerWaalsContact C-N 3.3Å; E712-V714 PolarHBondContact O-N 3.16Å; V714-S717 PolarHBondContact O-N 2.94Å; V714-K718 WeakPolarHBondContact O-CG 3.43Å; V714-K718 PolarHBondContact O-N 2.97Å
715Q93.8Very high91.8Very high131 Ų13152 Ų5261%0.61226%0.255SS*.Hα-helixtrans-64.2-46.4177.4-71.1177.214.400112.2D711 E712 S717 K718 H719D711-Q715 WeakPolarHBondContact O-CG 3.37Å; D711-Q715 PolarHBondContact O-N 3.47Å; E712-Q715 PolarHBondContact O-N 3.24Å; Q715-S717 VanDerWaalsContact C-N 3.28Å; Q715-S717 PolarHBondContact O-N 2.9Å; Q715-K718 PolarHBondContact O-N 3.33Å; Q715-H719 PolarHBondContact O-N 2.93Å
716L93.2Very high92.1Very high66 Ų6657 Ų5735%0.34628%0.277SS..Hα-helixtrans-61.9-39.2175-71.5174.8000111.4L493 L708 E712 A713 H719 F720L493-L716 HydrophobicContact CD1-CB 4.42Å; L493-L716 HydrophobicContact CD2-CB 4.47Å; L493-L716 HydrophobicContact CD2-CD1 4.17Å; L708-L716 HydrophobicContact CD1-CD1 3.68Å; L708-L716 HydrophobicContact CD2-CD1 4Å; E712-L716 WeakPolarHBondContact O-CG 3.4Å; E712-L716 PolarHBondContact O-N 3.27Å; A713-L716 PolarHBondContact O-N 2.82Å; L716-H719 PolarHBondContact O-N 3.06Å; L716-F720 VanDerWaalsContact O-CB 3.29Å; L716-F720 WeakPolarHBondContact O-CB 3.5Å; L716-F720 PolarHBondContact O-N 2.7Å
717S93.9Very high91.9Very high0 Ų060.4 Ų60.40%030%0.302CS..Hα-helixtrans-64.1-43.5176.3-58.90000112L493 M527 L676 A713 V714 Q715 H719 F720 L721L493-S717 WeakPolarHBondContact CD1-OG 3.14Å; M527-S717 WeakPolarHBondContact CE-OG 3.4Å; L676-S717 WeakPolarHBondContact CD2-OG 3.08Å; A713-S717 VanDerWaalsContact O-CB 3.27Å; A713-S717 WeakPolarHBondContact O-CB 3.26Å; A713-S717 PolarHBondContact O-N 3Å; A713-S717 PolarHBondContact O-OG 3.41Å; V714-S717 PolarHBondContact O-N 2.94Å; Q715-S717 VanDerWaalsContact C-N 3.28Å; Q715-S717 PolarHBondContact O-N 2.9Å; S717-H719 VanDerWaalsContact C-N 3.35Å; S717-H719 PolarHBondContact O-N 3.47Å; S717-F720 PolarHBondContact O-N 3.26Å; S717-L721 WeakPolarHBondContact O-CB 3.28Å; S717-L721 VanDerWaalsContact O-CG 3.24Å; S717-L721 WeakPolarHBondContact O-CG 3.25Å; S717-L721 PolarHBondContact O-N 3.11Å
718K94Very high91.6Very high96 Ų9661.3 Ų61.342%0.41730%0.304SS..Hα-helixtrans-59.7-45.3173.7-76.4177.4-177.4174.60111.4V530 V714 Q715 R722V530-K718 HydrophobicContact CB-CG 4.31Å; V530-K718 HydrophobicContact CG1-CB 4.39Å; V530-K718 HydrophobicContact CG1-CG 3.46Å; V530-K718 VanDerWaalsContact CG1-CG 3.46Å; V530-K718 HydrophobicContact CG2-CD 4.16Å; V530-K718 HydrophobicContact CG2-CG 3.83Å; V714-K718 WeakPolarHBondContact O-CG 3.43Å; V714-K718 PolarHBondContact O-N 2.97Å; Q715-K718 PolarHBondContact O-N 3.33Å; K718-R722 WeakPolarHBondContact O-CB 3.44Å; K718-R722 VanDerWaalsContact O-CG 3.25Å; K718-R722 WeakPolarHBondContact O-CG 3.42Å; K718-R722 PolarHBondContact O-N 2.88Å
719H93.5Very high91.3Very high126 Ų12669 Ų6958%0.58333%0.333SS*.Hα-helixtrans-62.4-49.9178.9-179.674.3000111.2Q715 L716 S717 L721 R722 Q723Q715-H719 PolarHBondContact O-N 2.93Å; L716-H719 PolarHBondContact O-N 3.06Å; S717-H719 VanDerWaalsContact C-N 3.35Å; S717-H719 PolarHBondContact O-N 3.47Å; H719-L721 PolarHBondContact O-N 2.71Å; H719-R722 PolarHBondContact O-N 3.12Å; H719-Q723 PolarHBondContact O-N 3.29Å
720F93.1Very high90.6Very high11 Ų1173 Ų735%0.04835%0.351CS..Hα-helixtrans-56.5-52.5177.7175.1-102.9000111.8T488 C491 Y674 L676 L716 S717 R722 Q723 M724T488-F720 VanDerWaalsContact O-CE2 3.23Å; T488-F720 WeakPolarHBondContact O-CE2 3.38Å; C491-F720 HydrophobicContact CB-CD1 4.13Å; C491-F720 HydrophobicContact CB-CD2 3.57Å; C491-F720 HydrophobicContact CB-CE1 4.12Å; C491-F720 HydrophobicContact CB-CE2 3.53Å; C491-F720 HydrophobicContact CB-CG 3.86Å; C491-F720 HydrophobicContact CB-CZ 3.82Å; Y674-F720 HydrophobicContact CD2-CE1 4.32Å; L676-F720 HydrophobicContact CD1-CD1 4.33Å; L716-F720 VanDerWaalsContact O-CB 3.29Å; L716-F720 WeakPolarHBondContact O-CB 3.5Å; L716-F720 PolarHBondContact O-N 2.7Å; S717-F720 PolarHBondContact O-N 3.26Å; F720-R722 VanDerWaalsContact C-N 3.34Å; F720-R722 PolarHBondContact O-N 3.21Å; F720-Q723 PolarHBondContact O-N 3.47Å; F720-M724 HydrophobicContact CD1-CG 4.29Å; F720-M724 HydrophobicContact CD2-CG 3.94Å; F720-M724 HydrophobicContact CE1-CG 3.99Å; F720-M724 HydrophobicContact CE2-CG 3.62Å; F720-M724 HydrophobicContact CE2-SD 4.21Å; F720-M724 HydrophobicContact CG-CG 4.28Å; F720-M724 HydrophobicContact CZ-CG 3.64Å; F720-M724 WeakPolarHBondContact O-CB 3.41Å; F720-M724 VanDerWaalsContact O-CG 3.25Å; F720-M724 WeakPolarHBondContact O-CG 3.46Å; F720-M724 PolarHBondContact O-N 2.93Å
721L92.6Very high90Very high15 Ų1580 Ų808%0.07938%0.383CS..Hα-helixtrans-63.7-38.3-178.4-69.4169.3000112.3V530 V531 Y674 S717 H719 M724 A725V530-L721 HydrophobicContact CG1-CD1 3.96Å; V531-L721 HydrophobicContact CG2-CD1 4.28Å; Y674-L721 HydrophobicContact CD2-CD2 4.29Å; Y674-L721 HydrophobicContact CE2-CD2 3.87Å; S717-L721 WeakPolarHBondContact O-CB 3.28Å; S717-L721 VanDerWaalsContact O-CG 3.24Å; S717-L721 WeakPolarHBondContact O-CG 3.25Å; S717-L721 PolarHBondContact O-N 3.11Å; H719-L721 PolarHBondContact O-N 2.71Å; L721-M724 PolarHBondContact O-N 3.44Å; L721-A725 WeakPolarHBondContact O-CB 3.48Å; L721-A725 PolarHBondContact O-N 3.3Å
722R92.1Very high89.5Confident192 Ų19280.5 Ų80.573%0.72539%0.386SS*.Hα-helixtrans-66-41.7176.1-77.5177.3-178.4178.80.5112.4K718 H719 F720K718-R722 WeakPolarHBondContact O-CB 3.44Å; K718-R722 VanDerWaalsContact O-CG 3.25Å; K718-R722 WeakPolarHBondContact O-CG 3.42Å; K718-R722 PolarHBondContact O-N 2.88Å; H719-R722 PolarHBondContact O-N 3.12Å; F720-R722 VanDerWaalsContact C-N 3.34Å; F720-R722 PolarHBondContact O-N 3.21Å
723Q91.3Very high88.8Confident84 Ų8476.6 Ų76.639%0.39337%0.367SS..Hα-helixtrans-61.8-56.3173.9-165.1-178.52.300107.9R487 H719 F720 A725 Q726R487-Q723 PolarHBondContact NH2-O 3.38Å; H719-Q723 PolarHBondContact O-N 3.29Å; F720-Q723 PolarHBondContact O-N 3.47Å; Q723-A725 VanDerWaalsContact C-N 3.3Å; Q723-A725 PolarHBondContact O-N 3.37Å; Q723-Q726 WeakPolarHBondContact O-CB 3.32Å; Q723-Q726 VanDerWaalsContact O-CG 3.3Å; Q723-Q726 WeakPolarHBondContact O-CG 3.5Å; Q723-Q726 PolarHBondContact O-N 3.32Å; Q723-Q726 VanDerWaalsContact O-N 3.1Å
724M88.3Confident88.4Confident4 Ų479.4 Ų79.42%0.0238%0.382CS..Hα-helixtrans-61.3-29.4-174.4-67.4-51.9104.100114.9R487 Y674 F720 L721 Q726R487-M724 VanDerWaalsContact CD-SD 3.56Å; R487-M724 HydrophobicContact CG-CE 3.79Å; R487-M724 HydrophobicContact CG-SD 3.77Å; R487-M724 VanDerWaalsContact CZ-CA 3.48Å; R487-M724 VanDerWaalsContact CZ-SD 3.57Å; R487-M724 PolarHBondContact NE-SD 3.26Å; R487-M724 PolarHBondContact NH1-O 2.75Å; R487-M724 VanDerWaalsContact NH2-CA 3.26Å; Y674-M724 HydrophobicContact CD1-CB 4.14Å; Y674-M724 HydrophobicContact CD2-CB 3.79Å; Y674-M724 HydrophobicContact CD2-CG 4.34Å; Y674-M724 HydrophobicContact CE1-CB 4.45Å; Y674-M724 HydrophobicContact CE2-CB 4.13Å; Y674-M724 HydrophobicContact CG-CB 3.8Å; Y674-M724 HydrophobicContact CG-CG 4.24Å; F720-M724 HydrophobicContact CD1-CG 4.29Å; F720-M724 HydrophobicContact CD2-CG 3.94Å; F720-M724 HydrophobicContact CE1-CG 3.99Å; F720-M724 HydrophobicContact CE2-CG 3.62Å; F720-M724 HydrophobicContact CE2-SD 4.21Å; F720-M724 HydrophobicContact CG-CG 4.28Å; F720-M724 HydrophobicContact CZ-CG 3.64Å; F720-M724 WeakPolarHBondContact O-CB 3.41Å; F720-M724 VanDerWaalsContact O-CG 3.25Å; F720-M724 WeakPolarHBondContact O-CG 3.46Å; F720-M724 PolarHBondContact O-N 2.93Å; L721-M724 PolarHBondContact O-N 3.44Å; M724-Q726 PolarHBondContact O-N 3.06Å
725A87.5Confident87.4Confident70 Ų7080.1 Ų80.158%0.57939%0.392SS*.THydrogen-bonded Turntrans-69.1-11.1177.200000114.4L721 Q723L721-A725 WeakPolarHBondContact O-CB 3.48Å; L721-A725 PolarHBondContact O-N 3.3Å; Q723-A725 VanDerWaalsContact C-N 3.3Å; Q723-A725 PolarHBondContact O-N 3.37Å
726Q88.7Confident86.8Confident119 Ų11979 Ų7956%0.55639%0.39SS*.SBendtrans-63.8146.4173.7-67.1175.9-900111.5Q723 M724 F728Q723-Q726 WeakPolarHBondContact O-CB 3.32Å; Q723-Q726 VanDerWaalsContact O-CG 3.3Å; Q723-Q726 WeakPolarHBondContact O-CG 3.5Å; Q723-Q726 PolarHBondContact O-N 3.32Å; Q723-Q726 VanDerWaalsContact O-N 3.1Å; M724-Q726 PolarHBondContact O-N 3.06Å; Q726-F728 PolarHBondContact O-N 2.84Å
727P86Confident86.3Confident117 Ų11775.9 Ų75.976%0.7637%0.373SS*.  trans-60.5123.8179.826.2-34.2000109.8
728F83.8Confident85.9Confident55 Ų5576.4 Ų76.424%0.24138%0.376CS..  trans-112.6109.5178.4-174.5-128.6000108.2A486 R487 Q726 D732 Q733A486-F728 HydrophobicContact CB-CZ 4.2Å; R487-F728 HydrophobicContact CB-CE2 4.16Å; R487-F728 HydrophobicContact CB-CZ 4.03Å; Q726-F728 PolarHBondContact O-N 2.84Å; F728-D732 HydrophobicContact CD2-CB 3.88Å; F728-D732 HydrophobicContact CE2-CB 3.54Å; F728-D732 HydrophobicContact CZ-CB 4.44Å; F728-Q733 HydrophobicContact CD1-CG 4.49Å; F728-Q733 HydrophobicContact CE1-CG 3.55Å; F728-Q733 HydrophobicContact CE2-CG 4.33Å; F728-Q733 HydrophobicContact CZ-CG 3.45Å; F728-Q733 VanDerWaalsContact CZ-CG 3.45Å
729R84.7Confident85.5Confident171 Ų17171.9 Ų71.965%0.64536%0.356SS*.  trans-91.5162.8-175.7-67.3-175.6178.1-176.20.5110E731 D732R729-E731 PolarHBondContact O-N 3.25Å; R729-D732 PolarHBondContact N-OD2 2.76Å; R729-D732 PolarHBondContact O-N 2.88Å
730Q80Confident85.3Confident99 Ų9967.5 Ų67.546%0.46334%0.338SS..G310 helixtrans-63.2-32.4177.6-171.3172.84.800112.2D732 Q733 L734 L738Q730-D732 PolarHBondContact O-N 2.67Å; Q730-Q733 WeakPolarHBondContact O-CB 3.43Å; Q730-Q733 PolarHBondContact O-N 3.42Å; Q730-L734 PolarHBondContact O-N 3.36Å; Q730-L738 HydrophobicContact CG-CD2 3.91Å
731E80.9Confident84.8Confident146 Ų14670.1 Ų70.168%0.68235%0.353SS*.G310 helixtrans-58.3-36177-65.8175.3-176.900112.5R729 Q733 L734R729-E731 PolarHBondContact O-N 3.25Å; E731-Q733 PolarHBondContact O-N 3.33Å; E731-L734 PolarHBondContact O-N 3.17Å
732D81.4Confident84.4Confident86 Ų8677 Ų7746%0.4638%0.384SS..G310 helixtrans-69-17.7178.9-54.3-44.7000112.6F728 R729 Q730F728-D732 HydrophobicContact CD2-CB 3.88Å; F728-D732 HydrophobicContact CE2-CB 3.54Å; F728-D732 HydrophobicContact CZ-CB 4.44Å; R729-D732 PolarHBondContact N-OD2 2.76Å; R729-D732 PolarHBondContact O-N 2.88Å; Q730-D732 PolarHBondContact O-N 2.67Å
733Q79.6Confident83.9Confident9 Ų970.7 Ų70.74%0.04236%0.363CS..G310 helixtrans-91.2-25179.5-60.7-179.41400112.7F728 Q730 E731 G735 L736 S737 L738F728-Q733 HydrophobicContact CD1-CG 4.49Å; F728-Q733 HydrophobicContact CE1-CG 3.55Å; F728-Q733 HydrophobicContact CE2-CG 4.33Å; F728-Q733 HydrophobicContact CZ-CG 3.45Å; F728-Q733 VanDerWaalsContact CZ-CG 3.45Å; Q730-Q733 WeakPolarHBondContact O-CB 3.43Å; Q730-Q733 PolarHBondContact O-N 3.42Å; E731-Q733 PolarHBondContact O-N 3.33Å; Q733-G735 PolarHBondContact O-N 3.34Å; Q733-L736 PolarHBondContact O-N 2.9Å; Q733-S737 PolarHBondContact O-N 3.43Å; Q733-L738 HydrophobicContact CB-CB 3.8Å; Q733-L738 PolarHBondContact O-N 3.44Å
734L83.3Confident83.4Confident60 Ų6067.4 Ų67.431%0.31435%0.348SS..BIsolated β-bridgetrans-65.1131.9-173.4-70.3174.2000111Y16 Q730 E731 L736 L738 T740Y16-L734 HydrophobicContact CD1-CD2 3.86Å; Y16-L734 HydrophobicContact CE1-CD2 3.61Å; Q730-L734 PolarHBondContact O-N 3.36Å; E731-L734 PolarHBondContact O-N 3.17Å; L734-L736 VanDerWaalsContact C-N 3.28Å; L734-L736 PolarHBondContact O-N 2.86Å; L734-L738 WeakPolarHBondContact CA-O 3.4Å; L734-L738 HydrophobicContact CD2-CD2 3.98Å; L734-L738 HydrophobicContact CD2-CG 4.4Å; L734-T740 HydrophobicContact CD2-CG2 3.93Å
735G74Confident82.9Confident26 Ų2674 Ų7427%0.26838%0.379SS..THydrogen-bonded Turntrans84.6-12179.800000115.3Q733 L738Q733-G735 PolarHBondContact O-N 3.34Å; G735-L738 PolarHBondContact N-O 3.45Å
736L81Confident82.8Confident107 Ų10772.8 Ų72.856%0.5637%0.366SS*.THydrogen-bonded Turntrans-114-76.2174.3-70.1172.4000110.9P19 A486 Q733 L734P19-L736 WeakPolarHBondContact CG-O 3.49Å; A486-L736 HydrophobicContact CB-CB 4.06Å; A486-L736 HydrophobicContact CB-CD1 4.1Å; Q733-L736 PolarHBondContact O-N 2.9Å; L734-L736 VanDerWaalsContact C-N 3.28Å; L734-L736 PolarHBondContact O-N 2.86Å
737S82.2Confident82.2Confident1 Ų174.5 Ų74.51%0.00737%0.374CS..THydrogen-bonded Turntrans-95.8-17-174.261.20000113.6Y18 P19 T484 A486 K671 Q733Y18-S737 WeakPolarHBondContact CD1-O 3.39Å; P19-S737 VanDerWaalsContact CD-O 3.29Å; P19-S737 WeakPolarHBondContact CD-O 3.11Å; T484-S737 WeakPolarHBondContact O-CB 3.32Å; A486-S737 WeakPolarHBondContact CB-OG 3.3Å; K671-S737 PolarHBondContact NZ-O 3.26Å; Q733-S737 PolarHBondContact O-N 3.43Å
738L85.6Confident81.9Confident11 Ų1176 Ų766%0.05837%0.371CS..BIsolated β-bridgetrans-128.5131.3179.1-165.675.6000109.6Y16 Y18 Q730 Q733 L734 G735Y16-L738 HydrophobicContact CD1-CD2 3.68Å; Y16-L738 HydrophobicContact CD1-CG 3.98Å; Y16-L738 HydrophobicContact CD2-CD2 4.31Å; Y16-L738 HydrophobicContact CE1-CD2 4.33Å; Y16-L738 HydrophobicContact CG-CD1 4.32Å; Y16-L738 HydrophobicContact CG-CD2 3.67Å; Y16-L738 HydrophobicContact CG-CG 3.98Å; Y18-L738 HydrophobicContact CD1-CD1 3.74Å; Y18-L738 HydrophobicContact CE1-CD1 3.49Å; Y18-L738 VanDerWaalsContact CE1-CD1 3.49Å; Q730-L738 HydrophobicContact CG-CD2 3.91Å; Q733-L738 HydrophobicContact CB-CB 3.8Å; Q733-L738 PolarHBondContact O-N 3.44Å; L734-L738 WeakPolarHBondContact CA-O 3.4Å; L734-L738 HydrophobicContact CD2-CD2 3.98Å; L734-L738 HydrophobicContact CD2-CG 4.4Å; G735-L738 PolarHBondContact N-O 3.45Å
739L86Confident81.6Confident0 Ų074.6 Ų74.60%037%0.366CS..BIsolated β-bridgetrans-117.8139.9-175-56.3-176.5000111.5Y16 I17 P19 L744 M749 I753Y16-L739 WeakPolarHBondContact CA-O 3.4Å; I17-L739 HydrophobicContact CG2-CB 4.01Å; I17-L739 PolarHBondContact N-O 3.08Å; I17-L739 VanDerWaalsContact N-O 3.16Å; I17-L739 PolarHBondContact O-N 3.2Å; P19-L739 HydrophobicContact CB-CD1 4.07Å; P19-L739 HydrophobicContact CG-CD1 3.82Å; P19-L739 HydrophobicContact CG-CD2 4.38Å; P19-L739 HydrophobicContact CG-CG 3.97Å; L739-L744 HydrophobicContact CB-CD2 4.18Å; L739-L744 HydrophobicContact CB-CG 4.13Å; L739-L744 HydrophobicContact CD1-CD2 3.58Å; L739-L744 HydrophobicContact CD1-CG 4.36Å; L739-M749 HydrophobicContact CD1-CE 3.85Å; L739-M749 HydrophobicContact CD2-CE 3.26Å; L739-M749 HydrophobicContact CG-CE 4.2Å; L739-I753 HydrophobicContact CD1-CD1 3.93Å
740T88.5Confident81.3Confident34 Ų3469.5 Ų69.521%0.20935%0.351CS..  trans-90.8166.916964.50000111Y16 L734 E742 Q743 L744Y16-T740 HydrophobicContact CD1-CG2 4Å; Y16-T740 HydrophobicContact CE1-CG2 3.73Å; L734-T740 HydrophobicContact CD2-CG2 3.93Å; T740-E742 VanDerWaalsContact C-N 3.33Å; T740-E742 PolarHBondContact O-N 3.05Å; T740-Q743 PolarHBondContact O-N 3.17Å; T740-Q743 WeakPolarHBondContact OG1-CG 3.15Å; T740-Q743 PolarHBondContact OG1-N 3.48Å; T740-L744 WeakPolarHBondContact O-CG 3.39Å; T740-L744 PolarHBondContact O-N 2.71Å; T740-L744 VanDerWaalsContact O-N 3.17Å
741L83.5Confident81.2Confident67 Ų6770.6 Ų70.635%0.35136%0.356SS..Hα-helixtrans-58.3-44.2178.1-165.1161.3000111.9M1 Q743 L744 Q745M1-L741 HydrophobicContact CG-CB 4.11Å; M1-L741 HydrophobicContact CG-CD1 3.95Å; M1-L741 HydrophobicContact CG-CG 4.2Å; M1-L741 HydrophobicContact SD-CB 3.91Å; M1-L741 HydrophobicContact SD-CG 4.44Å; L741-Q743 PolarHBondContact O-N 3.2Å; L741-L744 PolarHBondContact O-N 2.73Å; L741-Q745 HydrophobicContact CD2-CG 4.42Å; L741-Q745 PolarHBondContact O-N 3.05Å
742E83.4Confident81.1Confident159 Ų15969.3 Ų69.374%0.74335%0.348SS*.Hα-helixtrans-64.1-40179.9-63.5179.7177.300112.1T740 L744 Q745T740-E742 VanDerWaalsContact C-N 3.33Å; T740-E742 PolarHBondContact O-N 3.05Å; E742-L744 VanDerWaalsContact C-N 3.31Å; E742-L744 PolarHBondContact O-N 3.27Å; E742-Q745 PolarHBondContact O-N 3.08Å
743Q82.6Confident80.9Confident60 Ų6065.5 Ų65.528%0.2833%0.328SS..Hα-helixtrans-65.3-35177.8-72.3174.3-15.800112.1T740 L741 Q745 S746 M749T740-Q743 PolarHBondContact O-N 3.17Å; T740-Q743 WeakPolarHBondContact OG1-CG 3.15Å; T740-Q743 PolarHBondContact OG1-N 3.48Å; L741-Q743 PolarHBondContact O-N 3.2Å; Q743-Q745 VanDerWaalsContact C-N 3.25Å; Q743-Q745 PolarHBondContact O-N 3.09Å; Q743-S746 PolarHBondContact O-N 3.33Å; Q743-S746 PolarHBondContact O-OG 3.43Å; Q743-M749 WeakPolarHBondContact O-CB 3.22Å
744L79.6Confident80.5Confident14 Ų1468.9 Ų68.97%0.07335%0.352CS..Hα-helixtrans-68.5-22.4177.1-70.7162.4000113.6M1 L3 I17 Y22 L739 T740 L741 E742 S746 I753M1-L744 HydrophobicContact CE-CD1 4.01Å; M1-L744 HydrophobicContact SD-CD1 3.96Å; L3-L744 HydrophobicContact CD2-CD1 3.5Å; I17-L744 HydrophobicContact CG2-CD1 3.55Å; I17-L744 HydrophobicContact CG2-CD2 4.15Å; I17-L744 HydrophobicContact CG2-CG 4.32Å; Y22-L744 HydrophobicContact CD2-CD2 4.18Å; L739-L744 HydrophobicContact CB-CD2 4.18Å; L739-L744 HydrophobicContact CB-CG 4.13Å; L739-L744 HydrophobicContact CD1-CD2 3.58Å; L739-L744 HydrophobicContact CD1-CG 4.36Å; T740-L744 WeakPolarHBondContact O-CG 3.39Å; T740-L744 PolarHBondContact O-N 2.71Å; T740-L744 VanDerWaalsContact O-N 3.17Å; L741-L744 PolarHBondContact O-N 2.73Å; E742-L744 VanDerWaalsContact C-N 3.31Å; E742-L744 PolarHBondContact O-N 3.27Å; L744-S746 VanDerWaalsContact C-N 3.27Å; L744-I753 HydrophobicContact CD2-CD1 4.08Å
745Q79.3Confident80.1Confident143 Ų14372.7 Ų72.767%0.66837%0.369SS*.THydrogen-bonded Turntrans-79.1-12.4177-67.9-179.2-11.600112.8L741 E742 Q743L741-Q745 HydrophobicContact CD2-CG 4.42Å; L741-Q745 PolarHBondContact O-N 3.05Å; E742-Q745 PolarHBondContact O-N 3.08Å; Q743-Q745 VanDerWaalsContact C-N 3.25Å; Q743-Q745 PolarHBondContact O-N 3.09Å
746S83.8Confident79.8Confident45 Ų4572.8 Ų72.832%0.31536%0.362SS..  trans-75.9129.3178.169.20000111.8Q743 L744 E748 M749 L750Q743-S746 PolarHBondContact O-N 3.33Å; Q743-S746 PolarHBondContact O-OG 3.43Å; L744-S746 VanDerWaalsContact C-N 3.27Å; S746-E748 VanDerWaalsContact C-N 3.28Å; S746-E748 PolarHBondContact O-N 3.5Å; S746-M749 PolarHBondContact O-N 3.42Å; S746-M749 VanDerWaalsContact OG-CB 3.26Å; S746-M749 WeakPolarHBondContact OG-CB 3.41Å; S746-M749 WeakPolarHBondContact OG-CG 3.4Å; S746-L750 PolarHBondContact O-N 3.36Å
747E76.4Confident79.1Confident155 Ų15568.6 Ų68.672%0.72434%0.343SS*.Hα-helixtrans-61.7-35.2-179.2-69-171.9167.700112.5M749 L750 Q751E747-M749 VanDerWaalsContact C-N 3.31Å; E747-M749 PolarHBondContact O-N 3.27Å; E747-L750 PolarHBondContact O-N 3Å; E747-Q751 WeakPolarHBondContact O-CG 2.99Å; E747-Q751 PolarHBondContact O-N 3.38Å
748E80.1Confident78.4Confident149 Ų14972.2 Ų72.270%0.69636%0.36SS*.Hα-helixtrans-60.9-39.6176.6-65.9-174.8176.700112.2S746 Q751 K752S746-E748 VanDerWaalsContact C-N 3.28Å; S746-E748 PolarHBondContact O-N 3.5Å; E748-Q751 PolarHBondContact O-N 3.02Å; E748-K752 WeakPolarHBondContact O-CG 3.41Å; E748-K752 PolarHBondContact O-N 3.41Å
749M78.1Confident77.2Confident25 Ų2577.4 Ų77.412%0.12338%0.383CS..Hα-helixtrans-71.5-39.5177.7-73.9-64-63.700111.4L739 Q743 S746 E747 Q751 K752 I753L739-M749 HydrophobicContact CD1-CE 3.85Å; L739-M749 HydrophobicContact CD2-CE 3.26Å; L739-M749 HydrophobicContact CG-CE 4.2Å; Q743-M749 WeakPolarHBondContact O-CB 3.22Å; S746-M749 PolarHBondContact O-N 3.42Å; S746-M749 VanDerWaalsContact OG-CB 3.26Å; S746-M749 WeakPolarHBondContact OG-CB 3.41Å; S746-M749 WeakPolarHBondContact OG-CG 3.4Å; E747-M749 VanDerWaalsContact C-N 3.31Å; E747-M749 PolarHBondContact O-N 3.27Å; M749-Q751 VanDerWaalsContact C-N 3.29Å; M749-Q751 PolarHBondContact O-N 3.49Å; M749-K752 PolarHBondContact O-N 2.91Å; M749-K752 HydrophobicContact SD-CD 4.05Å; M749-I753 WeakPolarHBondContact O-CB 3.47Å; M749-I753 WeakPolarHBondContact O-CD1 3.4Å; M749-I753 WeakPolarHBondContact O-CG1 3.35Å; M749-I753 PolarHBondContact O-N 3.43Å
750L78.1Confident75.6Confident64 Ų6481.5 Ų81.534%0.33541%0.409SS..Hα-helixtrans-61.2-39.4174.2-69.3171.2000111.7Y22 S746 E747 I753 S754Y22-L750 HydrophobicContact CE1-CD2 3.93Å; S746-L750 PolarHBondContact O-N 3.36Å; E747-L750 PolarHBondContact O-N 3Å; L750-I753 PolarHBondContact O-N 3.06Å; L750-S754 PolarHBondContact O-N 3.46Å
751Q78.8Confident75Confident121 Ų12183.9 Ų83.957%0.56542%0.419SS*.Hα-helixtrans-62.4-45.7172.9-73.4-177.74.400111.9E747 E748 M749 I753 S754 Q755E747-Q751 WeakPolarHBondContact O-CG 2.99Å; E747-Q751 PolarHBondContact O-N 3.38Å; E748-Q751 PolarHBondContact O-N 3.02Å; M749-Q751 VanDerWaalsContact C-N 3.29Å; M749-Q751 PolarHBondContact O-N 3.49Å; Q751-I753 PolarHBondContact O-N 2.94Å; Q751-S754 PolarHBondContact O-N 3.05Å; Q751-S754 PolarHBondContact O-OG 3.39Å; Q751-Q755 PolarHBondContact O-N 3.32Å
752K78.4Confident74.6Confident120 Ų12084.7 Ų84.752%0.52242%0.422SS..Hα-helixtrans-58.8-46.3175.1-74.6177.3-178.5172.70112.2E748 M749 S754 Q755 M756E748-K752 WeakPolarHBondContact O-CG 3.41Å; E748-K752 PolarHBondContact O-N 3.41Å; M749-K752 PolarHBondContact O-N 2.91Å; M749-K752 HydrophobicContact SD-CD 4.05Å; K752-S754 VanDerWaalsContact C-N 3.28Å; K752-S754 PolarHBondContact O-N 2.92Å; K752-Q755 PolarHBondContact O-N 2.93Å; K752-Q755 VanDerWaalsContact O-N 3.12Å; K752-M756 WeakPolarHBondContact O-CG 3.43Å; K752-M756 PolarHBondContact O-N 3.38Å
753I76.3Confident74.1Confident5 Ų580.6 Ų80.63%0.02640%0.404CS..Hα-helixtrans-61.8-36.9179.7-67.6166.7000111.3P19 Y22 S23 L739 L744 M749 L750 Q751 Q755 M756P19-I753 HydrophobicContact CB-CG1 4.17Å; Y22-I753 HydrophobicContact CD1-CD1 4.44Å; Y22-I753 HydrophobicContact CD1-CG2 3.72Å; Y22-I753 HydrophobicContact CG-CG2 4.47Å; S23-I753 WeakPolarHBondContact OG-CG2 3.43Å; S23-I753 PolarHBondContact OG-O 3.19Å; S23-I753 VanDerWaalsContact OG-O 3.11Å; L739-I753 HydrophobicContact CD1-CD1 3.93Å; L744-I753 HydrophobicContact CD2-CD1 4.08Å; M749-I753 WeakPolarHBondContact O-CB 3.47Å; M749-I753 WeakPolarHBondContact O-CD1 3.4Å; M749-I753 WeakPolarHBondContact O-CG1 3.35Å; M749-I753 PolarHBondContact O-N 3.43Å; L750-I753 PolarHBondContact O-N 3.06Å; Q751-I753 PolarHBondContact O-N 2.94Å; I753-Q755 VanDerWaalsContact C-N 3.31Å; I753-Q755 PolarHBondContact O-N 2.8Å; I753-M756 PolarHBondContact O-N 3.35Å
754S72.1Confident73.6Confident80 Ų8081.8 Ų81.856%0.55941%0.412SS*.Hα-helixtrans-66-32.6176.576.60000113L750 Q751 K752 M756L750-S754 PolarHBondContact O-N 3.46Å; Q751-S754 PolarHBondContact O-N 3.05Å; Q751-S754 PolarHBondContact O-OG 3.39Å; K752-S754 VanDerWaalsContact C-N 3.28Å; K752-S754 PolarHBondContact O-N 2.92Å; S754-M756 VanDerWaalsContact C-N 3.3Å; S754-M756 PolarHBondContact O-N 2.8Å
755Q73.8Confident73.2Confident141 Ų14186.1 Ų86.166%0.65943%0.433SS*.Hα-helixtrans-75.6-19.6178.2-68.11763.400112.9Q751 K752 I753Q751-Q755 PolarHBondContact O-N 3.32Å; K752-Q755 PolarHBondContact O-N 2.93Å; K752-Q755 VanDerWaalsContact O-N 3.12Å; I753-Q755 VanDerWaalsContact C-N 3.31Å; I753-Q755 PolarHBondContact O-N 2.8Å
756M69Low72.8Confident28 Ų2882.3 Ų82.314%0.13842%0.417CS..Hα-helixtrans-79.6-24.1-179.5-67.5173.852.600113.8P19 E20 T484 K752 I753 S754 H758P19-M756 HydrophobicContact CB-CE 3.72Å; P19-M756 HydrophobicContact CB-SD 3.77Å; E20-M756 HydrophobicContact CG-CE 4.05Å; T484-M756 WeakPolarHBondContact OG1-CE 3.42Å; K752-M756 WeakPolarHBondContact O-CG 3.43Å; K752-M756 PolarHBondContact O-N 3.38Å; I753-M756 PolarHBondContact O-N 3.35Å; S754-M756 VanDerWaalsContact C-N 3.3Å; S754-M756 PolarHBondContact O-N 2.8Å; M756-H758 PolarHBondContact O-N 3.22Å
757A66.1Low72Confident18 Ų1884.9 Ų84.915%0.14942%0.424CS..EExtended strand (participates in β ladder)trans-85.1111.2175.600000109F481F481-A757 HydrophobicContact CD1-CB 4.24Å; F481-A757 HydrophobicContact CE1-CB 3.88Å
758H68Low71.6Confident77 Ų7779.5 Ų79.536%0.35640%0.401SS..EExtended strand (participates in β ladder)trans-93.9107.3173.3-67.4-56.6000109.7S480 M756S480-H758 PolarHBondContact N-O 3.14Å; S480-H758 PolarHBondContact O-N 3.24Å; M756-H758 PolarHBondContact O-N 3.22Å
759Q59.8Low70.9Confident120 Ų12073.8 Ų73.856%0.56138%0.377SS*.EExtended strand (participates in β ladder)trans-73.9129.4165.5-69.5-177.7-1400108.7E27 M478E27-Q759 PolarHBondContact OE1-NE2 3.02Å; E27-Q759 PolarHBondContact OE2-NE2 3.35Å; M478-Q759 WeakPolarHBondContact O-CA 3.45Å
760T52.9Low70.3Confident86 Ų8678.2 Ų78.253%0.52840%0.4SS..  trans-103.70173.9-330000107.9M478M478-T760 WeakPolarHBondContact CE-OXT 3.36Å; M478-T760 PolarHBondContact O-N 3.08Å

Retrieved 760 of 760 residues in 690.9 ms (Link to these results)

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