A0A060VZG6_ONCMY Loading...

Eukaryotic translation initiation factor 2 subunit 1

AlphaFold DB , UniProt , Accession A0A060VZG6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene EIF2S1, Length 315 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
1M35.1Very low52.7Low231 Ų23173.5 Ų73.5100%1.13839%0.386SS*.  0116.80-72.1179.2176.400106.8S3M1-S3 PolarHBondContact O-N 3.48Å
2P33Very low53.7Low86 Ų8680 Ų8056%0.55840%0.402SS*.  trans-65.1112.1175.627.4-31.6000107.8F4P2-F4 HydrophobicContact CB-CD1 4.33Å; P2-F4 HydrophobicContact CB-CD2 3.8Å; P2-F4 HydrophobicContact CB-CE1 3.92Å; P2-F4 HydrophobicContact CB-CE2 3.36Å; P2-F4 HydrophobicContact CB-CG 4.28Å; P2-F4 HydrophobicContact CB-CZ 3.41Å; P2-F4 VanDerWaalsContact CB-CZ 3.41Å; P2-F4 HydrophobicContact CG-CD2 3.78Å; P2-F4 HydrophobicContact CG-CE2 3.14Å; P2-F4 HydrophobicContact CG-CZ 3.59Å; P2-F4 PolarHBondContact O-N 3.26Å
3S40.5Very low55Low108 Ų10877 Ų7776%0.75539%0.385SS*.  trans-75.773.3172.647.50000108.2M1 S5M1-S3 PolarHBondContact O-N 3.48Å; S3-S5 PolarHBondContact O-N 3.33Å
4F50.8Low56.6Low56 Ų5671.8 Ų71.825%0.24636%0.359CS..  trans-67.1112.8173.4-62.2-65.2000108.7P2 Y109 E124 L127P2-F4 HydrophobicContact CB-CD1 4.33Å; P2-F4 HydrophobicContact CB-CD2 3.8Å; P2-F4 HydrophobicContact CB-CE1 3.92Å; P2-F4 HydrophobicContact CB-CE2 3.36Å; P2-F4 HydrophobicContact CB-CG 4.28Å; P2-F4 HydrophobicContact CB-CZ 3.41Å; P2-F4 VanDerWaalsContact CB-CZ 3.41Å; P2-F4 HydrophobicContact CG-CD2 3.78Å; P2-F4 HydrophobicContact CG-CE2 3.14Å; P2-F4 HydrophobicContact CG-CZ 3.59Å; P2-F4 PolarHBondContact O-N 3.26Å; F4-Y109 PolarHBondContact O-OH 2.7Å; F4-E124 HydrophobicContact CD1-CG 3.95Å; F4-E124 HydrophobicContact CE1-CG 4.48Å; F4-L127 HydrophobicContact CB-CD2 4.31Å
5S52.8Low58.2Low29 Ų2976.5 Ų76.520%0.20338%0.379CS..  trans-127.5104.6178.9-179.70000108.3S3 N40 N41 Y109S3-S5 PolarHBondContact O-N 3.33Å; S5-N40 WeakPolarHBondContact CB-OD1 3.39Å; S5-N40 VanDerWaalsContact O-CG 3.26Å; S5-N40 PolarHBondContact O-ND2 3.01Å; S5-N40 PolarHBondContact O-OD1 3.04Å; S5-N40 PolarHBondContact OG-OD1 3.14Å; S5-N41 PolarHBondContact OG-ND2 3.07Å; S5-Y109 WeakPolarHBondContact CA-OH 3.32Å
6C54.2Low59.8Low8 Ų876.8 Ų76.85%0.05439%0.386CS..  trans-97.8154.1175.1-168.80000110.3Y109 L127 F131C6-Y109 HydrophobicContact CB-CE2 4.21Å; C6-Y109 PolarHBondContact N-OH 3.05Å; C6-Y109 WeakPolarHBondContact O-CE2 3.48Å; C6-L127 HydrophobicContact CB-CD2 3.67Å; C6-L127 HydrophobicContact CB-CG 3.91Å; C6-F131 HydrophobicContact CB-CD2 4.02Å; C6-F131 HydrophobicContact CB-CE2 3.93Å
7R62.8Low61.1Low51 Ų5181.5 Ų81.519%0.19241%0.407CS..  trans-70.2143.1174.4-64-178.9-179.3130.59.9109.9N40R7-N40 HydrophobicContact CG-CB 3.52Å
8F60.8Low62.4Low28 Ų2879.6 Ų79.612%0.12340%0.398CS..SBendtrans-77.9-32179.4-73.1-115000111.9L37 E38 S105 Y109F8-L37 WeakPolarHBondContact CE2-O 3.5Å; F8-E38 VanDerWaalsContact CB-O 3.25Å; F8-E38 WeakPolarHBondContact CB-O 3.48Å; F8-E38 VanDerWaalsContact CD2-O 3.28Å; F8-E38 WeakPolarHBondContact CD2-O 3.5Å; F8-E38 PolarHBondContact N-O 3.36Å; F8-S105 WeakPolarHBondContact CE1-O 3.38Å; F8-Y109 HydrophobicContact CD1-CD2 4.38Å; F8-Y109 HydrophobicContact CD1-CG 4.42Å; F8-Y109 HydrophobicContact CD2-CD2 4.13Å; F8-Y109 HydrophobicContact CE1-CD2 4.04Å; F8-Y109 AromaticContact CE1-CG 3.7Å; F8-Y109 HydrophobicContact CE1-CG 3.7Å; F8-Y109 HydrophobicContact CE2-CD1 4.44Å; F8-Y109 AromaticContact CE2-CD2 3.72Å; F8-Y109 HydrophobicContact CE2-CD2 3.72Å; F8-Y109 HydrophobicContact CE2-CE2 4.09Å; F8-Y109 AromaticContact CE2-CG 3.93Å; F8-Y109 HydrophobicContact CE2-CG 3.93Å; F8-Y109 HydrophobicContact CG-CD2 4.47Å; F8-Y109 AromaticContact CZ-CD1 3.89Å; F8-Y109 HydrophobicContact CZ-CD1 3.89Å; F8-Y109 AromaticContact CZ-CD2 3.68Å; F8-Y109 HydrophobicContact CZ-CD2 3.68Å; F8-Y109 HydrophobicContact CZ-CE2 4.39Å; F8-Y109 AromaticContact CZ-CG 3.4Å; F8-Y109 HydrophobicContact CZ-CG 3.4Å; F8-Y109 VanDerWaalsContact CZ-CG 3.4Å
9Y63.7Low63.5Low8 Ų876.2 Ų76.23%0.03138%0.382CS..SBendtrans-117155.5-176.9-52.5-68000112H11 E38 Y39 K101 S105 W136 P145Y9-H11 PolarHBondContact O-N 3.42Å; Y9-E38 HydrophobicContact CD2-CB 4.35Å; Y9-E38 HydrophobicContact CE2-CB 3.81Å; Y9-E38 HydrophobicContact CE2-CG 4.26Å; Y9-E38 VanDerWaalsContact CE2-OE1 3.27Å; Y9-E38 WeakPolarHBondContact CE2-OE1 3Å; Y9-E38 PolarHBondContact OH-OE1 3.49Å; Y9-Y39 AromaticContact CD2-CE1 3.9Å; Y9-Y39 HydrophobicContact CD2-CE1 3.9Å; Y9-Y39 HydrophobicContact CD2-CE2 4.05Å; Y9-Y39 AromaticContact CD2-CZ 3.59Å; Y9-Y39 HydrophobicContact CE2-CE2 4.31Å; Y9-K101 WeakPolarHBondContact OH-CE 3.26Å; Y9-S105 PolarHBondContact OH-OG 3.11Å; Y9-W136 VanDerWaalsContact C-NE1 3.27Å; Y9-P145 HydrophobicContact CD1-CB 4.18Å; Y9-P145 HydrophobicContact CE1-CB 4.08Å
10Q59.8Low64.6Low93 Ų9372.4 Ų72.444%0.43536%0.363SS..SBendtrans-61.3-34176.7-171.8177.611.200111.9R12 W136Q10-R12 PolarHBondContact O-N 2.87Å; Q10-W136 VanDerWaalsContact CA-CE2 3.42Å; Q10-W136 HydrophobicContact CB-CB 4.19Å; Q10-W136 HydrophobicContact CB-CD2 3.64Å; Q10-W136 HydrophobicContact CB-CE3 3.97Å; Q10-W136 HydrophobicContact CB-CG 3.72Å; Q10-W136 HydrophobicContact CG-CB 4.49Å; Q10-W136 HydrophobicContact CG-CD2 3.92Å; Q10-W136 HydrophobicContact CG-CE3 3.7Å; Q10-W136 HydrophobicContact CG-CG 4.26Å; Q10-W136 HydrophobicContact CG-CZ3 4.27Å
11H66.1Low65.6Low111 Ų11169.3 Ų69.351%0.51435%0.347SS..SBendtrans-74.5124.5176.8-62.7-67.9000110.9Y9 F13 Y39Y9-H11 PolarHBondContact O-N 3.42Å; H11-F13 WeakPolarHBondContact CB-O 3.43Å; H11-F13 PolarHBondContact O-N 2.75Å; H11-Y39 VanDerWaalsContact O-CD1 3.28Å; H11-Y39 WeakPolarHBondContact O-CD1 3.16Å; H11-Y39 VanDerWaalsContact O-CE1 3.25Å; H11-Y39 WeakPolarHBondContact O-CE1 3.39Å
12R64.6Low68.2Low151 Ų15158.3 Ų58.357%0.5729%0.293SS*.SBendtrans-64.2-23.9176.5-177.8165.8-177.4177.30.8113.3Q10 I42Q10-R12 PolarHBondContact O-N 2.87Å; R12-I42 WeakPolarHBondContact O-CD1 3.39Å
13F71.3Confident70.9Confident41 Ų4156 Ų5618%0.1828%0.277CS..SBendtrans-134.7145.9178.5-61.5-81.3000109.7H11 I42 V76 K78 I83H11-F13 WeakPolarHBondContact CB-O 3.43Å; H11-F13 PolarHBondContact O-N 2.75Å; F13-I42 HydrophobicContact CD1-CD1 4.31Å; F13-I42 HydrophobicContact CE1-CD1 4.35Å; F13-V76 HydrophobicContact CB-CG1 3.93Å; F13-V76 HydrophobicContact CD1-CG1 4.22Å; F13-V76 HydrophobicContact CG-CG1 4.21Å; F13-K78 HydrophobicContact CD2-CG 4.34Å; F13-I83 HydrophobicContact CD1-CD1 4.41Å
14P77Confident73.1Confident4 Ų451 Ų513%0.02624%0.241CC..PPolyproline II helixtrans-65.4159.8171.429.2-35.3000111.3V20 L36 Y39 V73 I83P14-V20 HydrophobicContact CB-CG1 4.25Å; P14-L36 HydrophobicContact CG-CD2 3.9Å; P14-Y39 HydrophobicContact CB-CE1 4.4Å; P14-Y39 HydrophobicContact CB-CE2 3.85Å; P14-Y39 HydrophobicContact CG-CE2 4.28Å; P14-V73 HydrophobicContact CB-CG2 3.92Å; P14-V73 HydrophobicContact CG-CG1 4.41Å; P14-V73 HydrophobicContact CG-CG2 3.75Å; P14-I83 HydrophobicContact CG-CD1 4.24Å
15E80.3Confident74.9Confident142 Ų14255.7 Ų55.766%0.66426%0.257SS*.PPolyproline II helixtrans-83.4160.6171.5-63.8-167.8101.700111.1D18 V73E15-D18 WeakPolarHBondContact O-CB 3.49Å; E15-D18 PolarHBondContact O-N 3.39Å; E15-V73 WeakPolarHBondContact O-CB 3.47Å
16V83.9Confident76.5Confident81 Ų8156.7 Ų56.749%0.49126%0.264SS..THydrogen-bonded Turntrans-65.2141.2174.9175.50000108.7D18 I74V16-D18 VanDerWaalsContact C-N 3.25Å; V16-D18 PolarHBondContact O-N 2.84Å; V16-I74 WeakPolarHBondContact CG1-O 3.49Å
17E82.3Confident78Confident157 Ų15758.8 Ų58.873%0.73427%0.274SS*.THydrogen-bonded Turntrans71.72.2-174.3-59.8178104.800116.1V72 V73E17-V72 WeakPolarHBondContact O-CG2 3.5Å; E17-V73 WeakPolarHBondContact CA-O 3.3Å; E17-V73 PolarHBondContact N-O 3.03Å
18D83.9Confident79Confident48 Ų4858.3 Ų58.326%0.25728%0.281SS..  trans-75.3144.3174-161.119000111.7E15 V16 V72 V73 K101E15-D18 WeakPolarHBondContact O-CB 3.49Å; E15-D18 PolarHBondContact O-N 3.39Å; V16-D18 VanDerWaalsContact C-N 3.25Å; V16-D18 PolarHBondContact O-N 2.84Å; D18-V72 WeakPolarHBondContact O-CA 3.23Å; D18-V72 WeakPolarHBondContact O-CG2 3.36Å; D18-V73 PolarHBondContact O-N 3.04Å; D18-K101 IonicContact OD1-NZ 3.86Å; D18-K101 IonicContact OD2-NZ 3.76Å
19V84.1Confident79.8Confident15 Ų1566.2 Ų66.29%0.09132%0.318CS..EExtended strand (participates in β ladder)trans-99.5120.6179-172.40000108.5V71 V72 V90 E94 C98V19-V71 WeakPolarHBondContact CA-O 3.47Å; V19-V72 HydrophobicContact CG2-CB 4.42Å; V19-V72 HydrophobicContact CG2-CG2 4.2Å; V19-V90 HydrophobicContact CG1-CG1 4.46Å; V19-E94 HydrophobicContact CG2-CB 4.45Å; V19-C98 HydrophobicContact CB-CB 4.43Å; V19-C98 HydrophobicContact CG1-CB 3.73Å
20V85.5Confident80.4Confident0 Ų073.3 Ų73.30%035%0.354CS..EExtended strand (participates in β ladder)trans-128.5150.9-173.3-62.70000111.2P14 V22 L36 Y39 V71 V73 L85P14-V20 HydrophobicContact CB-CG1 4.25Å; V20-V22 HydrophobicContact CG2-CG1 4.11Å; V20-L36 HydrophobicContact CG2-CD2 4.11Å; V20-L36 HydrophobicContact CG2-CG 4.44Å; V20-Y39 HydrophobicContact CG1-CE2 3.98Å; V20-V71 HydrophobicContact CG2-CG2 4.16Å; V20-V71 PolarHBondContact N-O 3.27Å; V20-V71 PolarHBondContact O-N 2.88Å; V20-V73 HydrophobicContact CG1-CG2 4.45Å; V20-V73 HydrophobicContact CG2-CG2 3.96Å; V20-L85 HydrophobicContact CG2-CD2 4.28Å
21M85.8Confident81.4Confident7 Ų769 Ų693%0.03433%0.334CS..EExtended strand (participates in β ladder)trans-88.7125.5175.3-172.87282.600110.1L37 E38 N68 C70 E99 F102M21-L37 HydrophobicContact CG-CD1 4.25Å; M21-E38 PolarHBondContact N-OE2 3.33Å; M21-N68 HydrophobicContact CG-CB 4.16Å; M21-N68 HydrophobicContact SD-CB 3.78Å; M21-C70 VanDerWaalsContact CE-SG 3.59Å; M21-E99 HydrophobicContact CE-CB 4.17Å; M21-E99 HydrophobicContact CE-CG 4.17Å; M21-F102 HydrophobicContact CB-CB 4.1Å; M21-F102 HydrophobicContact CB-CD1 4.35Å; M21-F102 HydrophobicContact CB-CD2 3.61Å; M21-F102 HydrophobicContact CB-CE2 4.11Å; M21-F102 HydrophobicContact CB-CG 3.75Å; M21-F102 HydrophobicContact CE-CB 4.35Å; M21-F102 HydrophobicContact CE-CD1 4.19Å; M21-F102 HydrophobicContact CE-CG 4.39Å; M21-F102 HydrophobicContact CG-CD1 3.98Å; M21-F102 HydrophobicContact CG-CD2 4.03Å; M21-F102 HydrophobicContact CG-CE1 4.16Å; M21-F102 HydrophobicContact CG-CE2 4.22Å; M21-F102 HydrophobicContact CG-CG 3.91Å; M21-F102 HydrophobicContact CG-CZ 4.28Å
22V88.6Confident82.4Confident0 Ų064 Ų640%031%0.312CS..EExtended strand (participates in β ladder)trans-122.5145.6-178.8-57.60000112V20 V34 S35 L36 N68 E69 V71 L85V20-V22 HydrophobicContact CG2-CG1 4.11Å; V22-V34 HydrophobicContact CB-CB 3.94Å; V22-V34 HydrophobicContact CB-CG2 3.88Å; V22-V34 HydrophobicContact CG1-CG2 4.14Å; V22-V34 HydrophobicContact CG2-CB 3.88Å; V22-V34 HydrophobicContact CG2-CG1 4.14Å; V22-V34 HydrophobicContact CG2-CG2 3.87Å; V22-S35 WeakPolarHBondContact CA-O 3.25Å; V22-L36 HydrophobicContact CG1-CD1 4.24Å; V22-L36 HydrophobicContact CG1-CG 3.88Å; V22-N68 CarbonylContact O-C 3.56Å; V22-N68 VanDerWaalsContact O-CA 3.24Å; V22-N68 WeakPolarHBondContact O-CA 3.22Å; V22-E69 HydrophobicContact CG2-CB 4.5Å; V22-E69 WeakPolarHBondContact CG2-O 3.45Å; V22-E69 PolarHBondContact N-O 3.49Å; V22-E69 PolarHBondContact O-N 3.43Å; V22-V71 HydrophobicContact CB-CG2 4.13Å; V22-V71 HydrophobicContact CG1-CG2 3.45Å; V22-V71 VanDerWaalsContact CG1-CG2 3.45Å; V22-V71 HydrophobicContact CG2-CB 4.44Å; V22-V71 HydrophobicContact CG2-CG1 4.01Å; V22-V71 HydrophobicContact CG2-CG2 3.53Å; V22-L85 HydrophobicContact CG1-CD1 4.14Å
23N89.3Confident83.5Confident39 Ų3961.5 Ų61.521%0.20930%0.303CS..EExtended strand (participates in β ladder)trans-97.7133.9169.7-169.6-100000110.3R25 V34 S35 L37 G66 N68N23-R25 PolarHBondContact O-N 3.24Å; N23-V34 CarbonylContact O-C 3.45Å; N23-V34 WeakPolarHBondContact O-CA 3.36Å; N23-V34 WeakPolarHBondContact O-CB 3.48Å; N23-S35 PolarHBondContact N-O 3.32Å; N23-S35 PolarHBondContact O-N 3.4Å; N23-L37 HydrophobicContact CB-CD1 3.9Å; N23-L37 HydrophobicContact CB-CG 4.22Å; N23-G66 VanDerWaalsContact ND2-C 3.34Å; N23-G66 PolarHBondContact ND2-O 3.38Å; N23-N68 PolarHBondContact ND2-OD1 2.93Å
24V88.4Confident84.4Confident1 Ų159.6 Ų59.61%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-81116179.5-177.30000110.2I27 V34 I63 G66 R67 E69V24-I27 HydrophobicContact CG1-CG1 4.22Å; V24-V34 HydrophobicContact CB-CG1 4.43Å; V24-V34 HydrophobicContact CG2-CG1 4.1Å; V24-I63 HydrophobicContact CB-CG2 3.91Å; V24-I63 HydrophobicContact CG1-CG2 3.38Å; V24-I63 HydrophobicContact CG2-CG2 3.44Å; V24-I63 VanDerWaalsContact CG2-CG2 3.44Å; V24-G66 PolarHBondContact O-N 2.9Å; V24-R67 PolarHBondContact N-O 3.01Å; V24-R67 VanDerWaalsContact N-O 3.09Å; V24-E69 HydrophobicContact CG2-CG 4.37Å
25R88.1Confident84.8Confident156 Ų15660 Ų6059%0.58930%0.298SS*.EExtended strand (participates in β ladder)trans-89.8-50-179.3-168.7179.9-173-179.37112.2N23 Y33 E43 I65N23-R25 PolarHBondContact O-N 3.24Å; R25-Y33 PolarHBondContact N-O 2.95Å; R25-E43 IonicContact NH1-OE1 2.87Å; R25-E43 PolarHBondContact NH1-OE1 2.92Å; R25-I65 WeakPolarHBondContact O-CG2 3.41Å
26S86.3Confident85Confident50 Ų5053.2 Ų53.235%0.3527%0.266SS..EExtended strand (participates in β ladder)trans-150.2154.5-179.563.60000111.5Y33S26-Y33 PolarHBondContact N-O 3.19Å; S26-Y33 PolarHBondContact O-N 3.48Å
27I85.2Confident84.7Confident51 Ų5151.5 Ų51.526%0.26225%0.254SS..EExtended strand (participates in β ladder)trans-116.5123.9177.9-55.2173.2000106.7V24 I59 I63 I65V24-I27 HydrophobicContact CG1-CG1 4.22Å; I27-I59 HydrophobicContact CG2-CG1 3.9Å; I27-I63 HydrophobicContact CD1-CB 4.38Å; I27-I63 HydrophobicContact CD1-CG2 3.97Å; I27-I63 HydrophobicContact CG1-CG2 4.34Å; I27-I65 HydrophobicContact CD1-CG1 4.16Å; I27-I65 HydrophobicContact CG1-CG1 4.21Å
28A84.9Confident84.2Confident41 Ų4144 Ų4434%0.33922%0.219SC..  trans-116170.117700000110.7M30 G31 Y33A28-M30 VanDerWaalsContact C-N 3.27Å; A28-M30 PolarHBondContact O-N 3.02Å; A28-G31 CarbonylContact C-O 3.54Å; A28-G31 WeakPolarHBondContact CA-O 3.42Å; A28-G31 PolarHBondContact N-O 3.12Å; A28-G31 PolarHBondContact O-N 3.33Å; A28-Y33 HydrophobicContact CB-CD2 4.25Å; A28-Y33 HydrophobicContact CB-CE2 3.81Å
29E76.3Confident83.6Confident194 Ų19442.1 Ų42.191%0.90721%0.208SC*.SBendtrans-65.7-28.8180-70.3-177.788.200113.2L48E29-L48 VanDerWaalsContact O-CD1 3.31Å; E29-L48 WeakPolarHBondContact O-CD1 3.29Å
30M77.4Confident83.1Confident158 Ų15844 Ų4478%0.77822%0.218SC*.SBendtrans-92.4-15.2179.4-68-171.317300114.3A28 M45 L48A28-M30 VanDerWaalsContact C-N 3.27Å; A28-M30 PolarHBondContact O-N 3.02Å; M30-M45 HydrophobicContact CB-CE 4.14Å; M30-L48 VanDerWaalsContact O-CD1 3.27Å; M30-L48 WeakPolarHBondContact O-CD1 3.22Å
31G81.3Confident82.6Confident2 Ų247.6 Ų47.62%0.02124%0.237CC..EExtended strand (participates in β ladder)trans175.1176.8-176.500000113.9A28 I46A28-G31 CarbonylContact C-O 3.54Å; A28-G31 WeakPolarHBondContact CA-O 3.42Å; A28-G31 PolarHBondContact N-O 3.12Å; A28-G31 PolarHBondContact O-N 3.33Å; G31-I46 CarbonylContact C-O 3.54Å; G31-I46 WeakPolarHBondContact CA-O 3.47Å
32A85.5Confident82.5Confident5 Ų548.6 Ų48.64%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-101.8127.3167.200000109.5I46 I63A32-I46 HydrophobicContact CB-CB 4.41Å; A32-I46 PolarHBondContact N-O 3.32Å; A32-I46 PolarHBondContact O-N 3.48Å; A32-I63 HydrophobicContact CB-CD1 3.86Å
33Y88.8Confident82.3Confident99 Ų9953.8 Ų53.839%0.38827%0.267SS..EExtended strand (participates in β ladder)trans-85.5126.3170.4-66-83.1000108.9R25 S26 A28R25-Y33 PolarHBondContact N-O 2.95Å; S26-Y33 PolarHBondContact N-O 3.19Å; S26-Y33 PolarHBondContact O-N 3.48Å; A28-Y33 HydrophobicContact CB-CD2 4.25Å; A28-Y33 HydrophobicContact CB-CE2 3.81Å
34V89Confident82.2Confident1 Ų152.1 Ų52.11%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-127.3155.1-177.5-55.70000109.8V22 N23 V24 G44 I46 L85V22-V34 HydrophobicContact CB-CB 3.94Å; V22-V34 HydrophobicContact CB-CG2 3.88Å; V22-V34 HydrophobicContact CG1-CG2 4.14Å; V22-V34 HydrophobicContact CG2-CB 3.88Å; V22-V34 HydrophobicContact CG2-CG1 4.14Å; V22-V34 HydrophobicContact CG2-CG2 3.87Å; N23-V34 CarbonylContact O-C 3.45Å; N23-V34 WeakPolarHBondContact O-CA 3.36Å; N23-V34 WeakPolarHBondContact O-CB 3.48Å; V24-V34 HydrophobicContact CB-CG1 4.43Å; V24-V34 HydrophobicContact CG2-CG1 4.1Å; V34-G44 PolarHBondContact N-O 2.64Å; V34-G44 PolarHBondContact O-N 2.97Å; V34-I46 HydrophobicContact CG1-CD1 3.51Å; V34-I46 HydrophobicContact CG1-CG1 4.14Å; V34-I46 HydrophobicContact CG2-CD1 4.21Å; V34-I46 HydrophobicContact CG2-CG1 4.21Å; V34-L85 HydrophobicContact CG2-CD1 3.2Å
35S86.6Confident82.2Confident13 Ų1354.2 Ų54.29%0.09127%0.268CS..EExtended strand (participates in β ladder)trans-112.6126.5176.2-62.10000109V22 N23 L37 I42V22-S35 WeakPolarHBondContact CA-O 3.25Å; N23-S35 PolarHBondContact N-O 3.32Å; N23-S35 PolarHBondContact O-N 3.4Å; S35-L37 PolarHBondContact O-N 2.83Å; S35-I42 WeakPolarHBondContact CA-O 3.47Å
36L84.2Confident82.2Confident0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-76.8106.5175.9-72.875.6000108.7P14 V20 V22 E38 Y39 N41 I42 I83 L85P14-L36 HydrophobicContact CG-CD2 3.9Å; V20-L36 HydrophobicContact CG2-CD2 4.11Å; V20-L36 HydrophobicContact CG2-CG 4.44Å; V22-L36 HydrophobicContact CG1-CD1 4.24Å; V22-L36 HydrophobicContact CG1-CG 3.88Å; L36-E38 PolarHBondContact O-N 2.99Å; L36-Y39 HydrophobicContact CB-CD2 4.31Å; L36-Y39 HydrophobicContact CD2-CD2 3.91Å; L36-Y39 PolarHBondContact O-N 2.71Å; L36-N41 WeakPolarHBondContact O-CA 3.32Å; L36-N41 PolarHBondContact O-N 3.22Å; L36-I42 WeakPolarHBondContact CD1-O 3.23Å; L36-I42 PolarHBondContact N-O 2.76Å; L36-I83 HydrophobicContact CD1-CD1 4.13Å; L36-I83 HydrophobicContact CD2-CD1 3.87Å; L36-L85 HydrophobicContact CD1-CD1 4.11Å
37L77.6Confident82.2Confident44 Ų4447.9 Ų47.923%0.2324%0.242CC..G310 helixtrans-62-33.9-178-68.1123.2000111.8F8 M21 N23 S35 Y39 F102F8-L37 WeakPolarHBondContact CE2-O 3.5Å; M21-L37 HydrophobicContact CG-CD1 4.25Å; N23-L37 HydrophobicContact CB-CD1 3.9Å; N23-L37 HydrophobicContact CB-CG 4.22Å; S35-L37 PolarHBondContact O-N 2.83Å; L37-Y39 VanDerWaalsContact C-N 3.34Å; L37-Y39 PolarHBondContact O-N 3.39Å; L37-F102 HydrophobicContact CB-CE2 3.78Å; L37-F102 HydrophobicContact CB-CZ 4.03Å; L37-F102 HydrophobicContact CD1-CE2 4.33Å; L37-F102 HydrophobicContact CD1-CZ 4.08Å; L37-F102 HydrophobicContact CD2-CZ 4.38Å; L37-F102 HydrophobicContact CG-CZ 4.41Å
38E71.3Confident82Confident0 Ų048.4 Ų48.40%025%0.245CC..G310 helixtrans-73.5-23.5-174.9-63.8175.286.900113.4F8 Y9 M21 L36 F102F8-E38 VanDerWaalsContact CB-O 3.25Å; F8-E38 WeakPolarHBondContact CB-O 3.48Å; F8-E38 VanDerWaalsContact CD2-O 3.28Å; F8-E38 WeakPolarHBondContact CD2-O 3.5Å; F8-E38 PolarHBondContact N-O 3.36Å; Y9-E38 HydrophobicContact CD2-CB 4.35Å; Y9-E38 HydrophobicContact CE2-CB 3.81Å; Y9-E38 HydrophobicContact CE2-CG 4.26Å; Y9-E38 VanDerWaalsContact CE2-OE1 3.27Å; Y9-E38 WeakPolarHBondContact CE2-OE1 3Å; Y9-E38 PolarHBondContact OH-OE1 3.49Å; M21-E38 PolarHBondContact N-OE2 3.33Å; L36-E38 PolarHBondContact O-N 2.99Å; E38-F102 HydrophobicContact CG-CD2 3.67Å; E38-F102 HydrophobicContact CG-CE2 3.91Å
39Y70.8Confident81.8Confident9 Ų951 Ų514%0.03526%0.261CS..G310 helixtrans-112.731.9-172.6-66.1-90.4000113Y9 H11 P14 V20 L36 L37 I42Y9-Y39 AromaticContact CD2-CE1 3.9Å; Y9-Y39 HydrophobicContact CD2-CE1 3.9Å; Y9-Y39 HydrophobicContact CD2-CE2 4.05Å; Y9-Y39 AromaticContact CD2-CZ 3.59Å; Y9-Y39 HydrophobicContact CE2-CE2 4.31Å; H11-Y39 VanDerWaalsContact O-CD1 3.28Å; H11-Y39 WeakPolarHBondContact O-CD1 3.16Å; H11-Y39 VanDerWaalsContact O-CE1 3.25Å; H11-Y39 WeakPolarHBondContact O-CE1 3.39Å; P14-Y39 HydrophobicContact CB-CE1 4.4Å; P14-Y39 HydrophobicContact CB-CE2 3.85Å; P14-Y39 HydrophobicContact CG-CE2 4.28Å; V20-Y39 HydrophobicContact CG1-CE2 3.98Å; L36-Y39 HydrophobicContact CB-CD2 4.31Å; L36-Y39 HydrophobicContact CD2-CD2 3.91Å; L36-Y39 PolarHBondContact O-N 2.71Å; L37-Y39 VanDerWaalsContact C-N 3.34Å; L37-Y39 PolarHBondContact O-N 3.39Å; Y39-I42 VanDerWaalsContact O-CD1 3.26Å; Y39-I42 WeakPolarHBondContact O-CD1 3.43Å; Y39-I42 VanDerWaalsContact O-CG1 3.23Å; Y39-I42 WeakPolarHBondContact O-CG1 3.23Å
40N73.4Confident82.2Confident55 Ų5543 Ų4329%0.29422%0.223SC..THydrogen-bonded Turntrans65.346.5-175.3-168.420.1000113.3S5 R7 I42S5-N40 WeakPolarHBondContact CB-OD1 3.39Å; S5-N40 VanDerWaalsContact O-CG 3.26Å; S5-N40 PolarHBondContact O-ND2 3.01Å; S5-N40 PolarHBondContact O-OD1 3.04Å; S5-N40 PolarHBondContact OG-OD1 3.14Å; R7-N40 HydrophobicContact CG-CB 3.52Å; N40-I42 VanDerWaalsContact C-N 3.25Å; N40-I42 PolarHBondContact O-N 3.09Å
41N76.2Confident82.3Confident74 Ų7435.8 Ų35.840%0.39619%0.188SC..SBendtrans57.932.3173.9-55.3-70.5000114.5S5 L36 E43S5-N41 PolarHBondContact OG-ND2 3.07Å; L36-N41 WeakPolarHBondContact O-CA 3.32Å; L36-N41 PolarHBondContact O-N 3.22Å; N41-E43 PolarHBondContact O-N 2.91Å
42I82.6Confident82.1Confident29 Ų2937.5 Ų37.515%0.14920%0.2CC..EExtended strand (participates in β ladder)trans-57.2139.4172.5-64.7168.1000108.9R12 F13 S35 L36 Y39 N40 I83R12-I42 WeakPolarHBondContact O-CD1 3.39Å; F13-I42 HydrophobicContact CD1-CD1 4.31Å; F13-I42 HydrophobicContact CE1-CD1 4.35Å; S35-I42 WeakPolarHBondContact CA-O 3.47Å; L36-I42 WeakPolarHBondContact CD1-O 3.23Å; L36-I42 PolarHBondContact N-O 2.76Å; Y39-I42 VanDerWaalsContact O-CD1 3.26Å; Y39-I42 WeakPolarHBondContact O-CD1 3.43Å; Y39-I42 VanDerWaalsContact O-CG1 3.23Å; Y39-I42 WeakPolarHBondContact O-CG1 3.23Å; N40-I42 VanDerWaalsContact C-N 3.25Å; N40-I42 PolarHBondContact O-N 3.09Å; I42-I83 HydrophobicContact CG2-CD1 3.72Å
43E85.3Confident81.5Confident109 Ų10945.7 Ų45.751%0.50923%0.229SC..EExtended strand (participates in β ladder)trans-78.6130.4-179.9-58.7-172.9116.600110.2R25 N41R25-E43 IonicContact NH1-OE1 2.87Å; R25-E43 PolarHBondContact NH1-OE1 2.92Å; N41-E43 PolarHBondContact O-N 2.91Å
44G86.9Confident80.9Confident3 Ų351.3 Ų51.33%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-125.1159.3173.400000110.6V34 I83V34-G44 PolarHBondContact N-O 2.64Å; V34-G44 PolarHBondContact O-N 2.97Å; G44-I83 WeakPolarHBondContact CA-O 3.42Å
45M88.3Confident80.1Confident45 Ų4563.1 Ų63.122%0.22230%0.295CS..EExtended strand (participates in β ladder)trans-122130179.5-173.9176.4178.400110.2M30 I83 L85M30-M45 HydrophobicContact CB-CE 4.14Å; M45-I83 PolarHBondContact N-O 3.36Å; M45-L85 PolarHBondContact O-N 2.96Å
46I88.8Confident79.3Confident4 Ų465.7 Ų65.72%0.02131%0.306CS..EExtended strand (participates in β ladder)trans-103.2118.9169.7-56.4166.6000107.9G31 A32 V34 L51 V71 L85G31-I46 CarbonylContact C-O 3.54Å; G31-I46 WeakPolarHBondContact CA-O 3.47Å; A32-I46 HydrophobicContact CB-CB 4.41Å; A32-I46 PolarHBondContact N-O 3.32Å; A32-I46 PolarHBondContact O-N 3.48Å; V34-I46 HydrophobicContact CG1-CD1 3.51Å; V34-I46 HydrophobicContact CG1-CG1 4.14Å; V34-I46 HydrophobicContact CG2-CD1 4.21Å; V34-I46 HydrophobicContact CG2-CG1 4.21Å; I46-L51 HydrophobicContact CG2-CD1 4.22Å; I46-V71 HydrophobicContact CD1-CG1 3.82Å; I46-V71 HydrophobicContact CG1-CG1 4.5Å; I46-L85 HydrophobicContact CG1-CB 3.68Å; I46-L85 HydrophobicContact CG1-CD1 4.35Å
47L85.9Confident78.7Confident70 Ų7078 Ų7837%0.36635%0.353SS..EExtended strand (participates in β ladder)trans-69.5144.9172.1-7391.7000110.6S49 E50 L51L47-S49 PolarHBondContact O-N 3.37Å; L47-E50 HydrophobicContact CB-CB 4.44Å; L47-E50 CarbonylContact O-C 3.55Å; L47-E50 WeakPolarHBondContact O-CA 3.49Å; L47-E50 PolarHBondContact O-N 3.14Å; L47-L51 PolarHBondContact O-N 3Å
48L79.9Confident78.3Confident61 Ų6179.3 Ų79.332%0.31937%0.366SS..G310 helixtrans-57.9-37.1177.5-78.389.9000112.2E29 M30 E50 L51 I56E29-L48 VanDerWaalsContact O-CD1 3.31Å; E29-L48 WeakPolarHBondContact O-CD1 3.29Å; M30-L48 VanDerWaalsContact O-CD1 3.27Å; M30-L48 WeakPolarHBondContact O-CD1 3.22Å; L48-E50 PolarHBondContact O-N 2.92Å; L48-L51 VanDerWaalsContact O-CB 3.32Å; L48-L51 WeakPolarHBondContact O-CB 3.37Å; L48-L51 PolarHBondContact O-N 3.31Å; L48-I56 HydrophobicContact CD2-CD1 4.33Å
49S82.4Confident78.3Confident96 Ų9681.3 Ų81.367%0.67138%0.376SS*.G310 helixtrans-63.1-25.4177-57.40000113L47L47-S49 PolarHBondContact O-N 3.37Å
50E83.3Confident78.5Confident26 Ų2685.9 Ų85.912%0.12140%0.401CS..G310 helixtrans-101.311.3-178.9-74.6-64.5165.900112.5L47 L48 I74 S86 K87 R88 R89L47-E50 HydrophobicContact CB-CB 4.44Å; L47-E50 CarbonylContact O-C 3.55Å; L47-E50 WeakPolarHBondContact O-CA 3.49Å; L47-E50 PolarHBondContact O-N 3.14Å; L48-E50 PolarHBondContact O-N 2.92Å; E50-I74 HydrophobicContact CG-CD1 3.97Å; E50-S86 PolarHBondContact O-OG 3.01Å; E50-S86 WeakPolarHBondContact OE2-CB 3.39Å; E50-S86 PolarHBondContact OE2-OG 3.32Å; E50-K87 PolarHBondContact O-N 3.34Å; E50-R88 WeakPolarHBondContact O-CB 3.34Å; E50-R88 PolarHBondContact O-N 3.28Å; E50-R88 IonicContact OE1-CZ 2.76Å; E50-R88 IonicContact OE1-NE 2.7Å; E50-R88 IonicContact OE1-NH2 3.67Å; E50-R88 PolarHBondContact OE1-NH2 3.45Å; E50-R88 IonicContact OE2-CZ 3Å; E50-R88 IonicContact OE2-NE 3.95Å; E50-R88 PolarHBondContact OE2-NE 2.91Å; E50-R88 VanDerWaalsContact OE2-NE 3.1Å; E50-R88 IonicContact OE2-NH2 3.79Å; E50-R89 IonicContact OE1-NE 3.77Å; E50-R89 IonicContact OE1-NH2 3.31Å; E50-R89 IonicContact OE2-NE 3.84Å
51L80.7Confident78.6Confident6 Ų692.2 Ų92.23%0.03143%0.426CS..THydrogen-bonded Turntrans-86.9-38-179.9-173.463.3000114.3I46 L47 L48 I59 L62 I63 K87I46-L51 HydrophobicContact CG2-CD1 4.22Å; L47-L51 PolarHBondContact O-N 3Å; L48-L51 VanDerWaalsContact O-CB 3.32Å; L48-L51 WeakPolarHBondContact O-CB 3.37Å; L48-L51 PolarHBondContact O-N 3.31Å; L51-I59 HydrophobicContact CD2-CD1 3.08Å; L51-I59 HydrophobicContact CD2-CG1 4.5Å; L51-L62 HydrophobicContact CD2-CB 4.38Å; L51-L62 HydrophobicContact CD2-CD1 4.39Å; L51-I63 HydrophobicContact CD1-CD1 3.08Å; L51-I63 HydrophobicContact CD1-CG1 3.61Å; L51-I63 HydrophobicContact CD2-CD1 3.69Å; L51-I63 HydrophobicContact CD2-CG1 4.1Å; L51-I63 HydrophobicContact CG-CD1 4.01Å; L51-I63 HydrophobicContact CG-CG1 4.42Å; L51-K87 HydrophobicContact CD1-CB 4.19Å; L51-K87 HydrophobicContact CD1-CD 3.86Å
52S76.3Confident78.5Confident39 Ų3991.6 Ų91.627%0.27342%0.422SS..  trans-149.5149.2-177.3-163.40000111.8R54S52-R54 VanDerWaalsContact C-N 3.3Å
53R72.3Confident78.2Confident176 Ų17690.4 Ų90.466%0.66442%0.416SS*.SBendtrans-75.2-19.8173.5-63-177.8-172.7-177.33.8112.5R88R53-R88 HydrophobicContact CB-CG 4.29Å; R53-R88 HydrophobicContact CG-CG 3.34Å; R53-R88 PolarHBondContact NE-O 2.93Å; R53-R88 PolarHBondContact NH2-O 3.35Å
54R77.1Confident78.1Confident217 Ų21791.8 Ų91.882%0.81942%0.417SS*.SBendtrans-107.4154.7-176.3-64-177.8-178.4178.81.1110.9S52 I56S52-R54 VanDerWaalsContact C-N 3.3Å; R54-I56 PolarHBondContact O-N 2.96Å
55R71.8Confident78.1Confident250 Ų25097.1 Ų97.194%0.94344%0.444SS*.  trans-58.5123174.8-168.6175.7-172.7177.81.3109.9
56I69.4Low77.8Confident66 Ų6697.3 Ų97.334%0.33846%0.457SS..  trans-77.4129.5-178.552.9173.1000110.8L48 R54 L62L48-I56 HydrophobicContact CD2-CD1 4.33Å; R54-I56 PolarHBondContact O-N 2.96Å; I56-L62 HydrophobicContact CG2-CD1 3.57Å
57R71.6Confident77.7Confident259 Ų259103.3 Ų103.398%0.97748%0.479SS*.SBendtrans-87.8-37.1168.5-71.9-171.7-172.7-177.62.3112
58S70.3Confident77.7Confident71 Ų71103.5 Ų103.550%0.49748%0.48SS..  trans-155.5132.7178.6-171.50000110.4
59I71.3Confident78Confident42 Ų42102.6 Ų102.622%0.21547%0.474CS..G310 helixtrans-67.5-38.1-177.7-172.766.5000112.2I27 L51 K61 L62 I63I27-I59 HydrophobicContact CG2-CG1 3.9Å; L51-I59 HydrophobicContact CD2-CD1 3.08Å; L51-I59 HydrophobicContact CD2-CG1 4.5Å; I59-K61 PolarHBondContact O-N 3.22Å; I59-K61 VanDerWaalsContact O-N 3.07Å; I59-L62 PolarHBondContact O-N 3.48Å; I59-I63 PolarHBondContact O-N 2.91Å
60N73.7Confident78.2Confident106 Ų10698.9 Ų98.957%0.56745%0.448SS*.G310 helixtrans-65.2-15.1-177.1-75.510.3000114.2I63N60-I63 CarbonylContact C-O 3.55Å
61K76.6Confident78.4Confident188 Ų18897.6 Ų97.682%0.81744%0.442SS*.G310 helixtrans-82.2-29.4175.7-167.6171.8-177.7176.90112.3I59I59-K61 PolarHBondContact O-N 3.22Å; I59-K61 VanDerWaalsContact O-N 3.07Å
62L74Confident78.8Confident60 Ų6098 Ų9831%0.31445%0.445SS..THydrogen-bonded Turntrans-94.7-31.8-174.6-74.1169.3000113.1L51 I56 I59 K87L51-L62 HydrophobicContact CD2-CB 4.38Å; L51-L62 HydrophobicContact CD2-CD1 4.39Å; I56-L62 HydrophobicContact CG2-CD1 3.57Å; I59-L62 PolarHBondContact O-N 3.48Å; L62-K87 PolarHBondContact O-NZ 2.85Å; L62-K87 VanDerWaalsContact O-NZ 3.12Å
63I76.9Confident79.4Confident4 Ų496.2 Ų96.22%0.02143%0.432CS..  trans-131.1132.8178.2-64.7179.6000107.4V24 I27 A32 L51 I59 N60V24-I63 HydrophobicContact CB-CG2 3.91Å; V24-I63 HydrophobicContact CG1-CG2 3.38Å; V24-I63 HydrophobicContact CG2-CG2 3.44Å; V24-I63 VanDerWaalsContact CG2-CG2 3.44Å; I27-I63 HydrophobicContact CD1-CB 4.38Å; I27-I63 HydrophobicContact CD1-CG2 3.97Å; I27-I63 HydrophobicContact CG1-CG2 4.34Å; A32-I63 HydrophobicContact CB-CD1 3.86Å; L51-I63 HydrophobicContact CD1-CD1 3.08Å; L51-I63 HydrophobicContact CD1-CG1 3.61Å; L51-I63 HydrophobicContact CD2-CD1 3.69Å; L51-I63 HydrophobicContact CD2-CG1 4.1Å; L51-I63 HydrophobicContact CG-CD1 4.01Å; L51-I63 HydrophobicContact CG-CG1 4.42Å; I59-I63 PolarHBondContact O-N 2.91Å; N60-I63 CarbonylContact C-O 3.55Å
64R81.8Confident80.2Confident138 Ų13890.1 Ų90.152%0.52141%0.413SS..  trans-118140.5165.6-64.1-172.4-179.9-177.6-2.5109.6G66 R67R64-G66 PolarHBondContact O-N 3.39Å; R64-R67 HydrophobicContact CB-CG 4.03Å; R64-R67 PolarHBondContact O-N 2.91Å
65I86.9Confident80.5Confident116 Ų11686.6 Ų86.660%0.59540%0.399SS*.THydrogen-bonded Turntrans-57.5135.3172.9-60.5164.5000108.5R25 I27 R67R25-I65 WeakPolarHBondContact O-CG2 3.41Å; I27-I65 HydrophobicContact CD1-CG1 4.16Å; I27-I65 HydrophobicContact CG1-CG1 4.21Å; I65-R67 VanDerWaalsContact C-N 3.3Å; I65-R67 PolarHBondContact O-N 3.35Å
66G83.5Confident81.2Confident48 Ų4875.8 Ų75.850%0.49536%0.361SS..THydrogen-bonded Turntrans80.3-1.3-179.700000115.4N23 V24 R64N23-G66 VanDerWaalsContact ND2-C 3.34Å; N23-G66 PolarHBondContact ND2-O 3.38Å; V24-G66 PolarHBondContact O-N 2.9Å; R64-G66 PolarHBondContact O-N 3.39Å
67R86.1Confident82Confident130 Ų13075 Ų7549%0.49136%0.357SS..  trans-88149.8171.7-71.4-165.8175.9-179.8-7.5111.8V24 R64 I65V24-R67 PolarHBondContact N-O 3.01Å; V24-R67 VanDerWaalsContact N-O 3.09Å; R64-R67 HydrophobicContact CB-CG 4.03Å; R64-R67 PolarHBondContact O-N 2.91Å; I65-R67 VanDerWaalsContact C-N 3.3Å; I65-R67 PolarHBondContact O-N 3.35Å
68N86.1Confident82.4Confident74 Ų7470.1 Ų70.140%0.39634%0.343SS..EExtended strand (participates in β ladder)trans-88.5134.4173.5-60.7-17.2000109.3M21 V22 N23M21-N68 HydrophobicContact CG-CB 4.16Å; M21-N68 HydrophobicContact SD-CB 3.78Å; V22-N68 CarbonylContact O-C 3.56Å; V22-N68 VanDerWaalsContact O-CA 3.24Å; V22-N68 WeakPolarHBondContact O-CA 3.22Å; N23-N68 PolarHBondContact ND2-OD1 2.93Å
69E86Confident82.8Confident42 Ų4276 Ų7620%0.19636%0.363CS..EExtended strand (participates in β ladder)trans-133.3143.4178.9-66.4-71.6141.900109.1V22 V24 K87V22-E69 HydrophobicContact CG2-CB 4.5Å; V22-E69 WeakPolarHBondContact CG2-O 3.45Å; V22-E69 PolarHBondContact N-O 3.49Å; V22-E69 PolarHBondContact O-N 3.43Å; V24-E69 HydrophobicContact CG2-CG 4.37Å; E69-K87 WeakPolarHBondContact OE2-CE 3.37Å; E69-K87 IonicContact OE2-NZ 3.63Å; E69-K87 PolarHBondContact OE2-NZ 2.93Å
70C85.6Confident83.2Confident18 Ų1881.7 Ų81.712%0.12239%0.386CS..EExtended strand (participates in β ladder)trans-85.5128.9172.4-630000109.4M21 A95M21-C70 VanDerWaalsContact CE-SG 3.59Å; C70-A95 HydrophobicContact CB-CB 4.16Å
71V88.5Confident83.2Confident0 Ų077.7 Ų77.70%037%0.37CS..EExtended strand (participates in β ladder)trans-138.3152.3-179.5-65.70000110.3V19 V20 V22 I46 L85 S86 K87V19-V71 WeakPolarHBondContact CA-O 3.47Å; V20-V71 HydrophobicContact CG2-CG2 4.16Å; V20-V71 PolarHBondContact N-O 3.27Å; V20-V71 PolarHBondContact O-N 2.88Å; V22-V71 HydrophobicContact CB-CG2 4.13Å; V22-V71 HydrophobicContact CG1-CG2 3.45Å; V22-V71 VanDerWaalsContact CG1-CG2 3.45Å; V22-V71 HydrophobicContact CG2-CB 4.44Å; V22-V71 HydrophobicContact CG2-CG1 4.01Å; V22-V71 HydrophobicContact CG2-CG2 3.53Å; I46-V71 HydrophobicContact CD1-CG1 3.82Å; I46-V71 HydrophobicContact CG1-CG1 4.5Å; V71-L85 HydrophobicContact CB-CB 4.34Å; V71-L85 HydrophobicContact CG2-CB 4.13Å; V71-L85 HydrophobicContact CG2-CD1 4.14Å; V71-L85 HydrophobicContact CG2-CD2 3.9Å; V71-L85 HydrophobicContact CG2-CG 4.28Å; V71-S86 WeakPolarHBondContact CA-O 3.2Å; V71-K87 HydrophobicContact CG1-CB 4.18Å
72V89.3Confident83.5Confident14 Ų1475.9 Ų75.99%0.08536%0.359CS..EExtended strand (participates in β ladder)trans-95.9143172.875.20000110.3E17 D18 V19 L85 S86 R89 V90E17-V72 WeakPolarHBondContact O-CG2 3.5Å; D18-V72 WeakPolarHBondContact O-CA 3.23Å; D18-V72 WeakPolarHBondContact O-CG2 3.36Å; V19-V72 HydrophobicContact CG2-CB 4.42Å; V19-V72 HydrophobicContact CG2-CG2 4.2Å; V72-L85 CarbonylContact O-C 3.57Å; V72-L85 WeakPolarHBondContact O-CA 3.46Å; V72-S86 WeakPolarHBondContact CG1-O 3.36Å; V72-S86 PolarHBondContact N-O 3.5Å; V72-S86 PolarHBondContact O-N 3.41Å; V72-R89 HydrophobicContact CG1-CB 3.63Å; V72-R89 HydrophobicContact CG1-CG 4.44Å; V72-V90 HydrophobicContact CB-CG2 4.13Å
73V88.9Confident84.1Confident1 Ų173.1 Ų73.11%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-78.3122.2172.7-178.70000109.5P14 E15 E17 D18 V20 V76 I83 L85P14-V73 HydrophobicContact CB-CG2 3.92Å; P14-V73 HydrophobicContact CG-CG1 4.41Å; P14-V73 HydrophobicContact CG-CG2 3.75Å; E15-V73 WeakPolarHBondContact O-CB 3.47Å; E17-V73 WeakPolarHBondContact CA-O 3.3Å; E17-V73 PolarHBondContact N-O 3.03Å; D18-V73 PolarHBondContact O-N 3.04Å; V20-V73 HydrophobicContact CG1-CG2 4.45Å; V20-V73 HydrophobicContact CG2-CG2 3.96Å; V73-V76 HydrophobicContact CG1-CG2 3.36Å; V73-I83 HydrophobicContact CG1-CG2 3.93Å; V73-I83 HydrophobicContact CG2-CG2 4.37Å; V73-L85 HydrophobicContact CB-CD2 4.42Å; V73-L85 HydrophobicContact CG2-CD2 3.76Å
74I88.2Confident84.7Confident49 Ų4975 Ų7525%0.25136%0.355SS..EExtended strand (participates in β ladder)trans-92-48.3174.8-65.1179.5000110.2V16 E50 D84V16-I74 WeakPolarHBondContact CG1-O 3.49Å; E50-I74 HydrophobicContact CG-CD1 3.97Å; I74-D84 PolarHBondContact N-O 3.25Å
75R84.9Confident85Confident143 Ų14368.5 Ų68.554%0.5433%0.33SS..EExtended strand (participates in β ladder)trans-146.2141.3-172-171-179.9172.6156.16.8109.7D77 I83 D84R75-D77 IonicContact CZ-OD2 3.7Å; R75-D77 IonicContact NE-OD1 2.69Å; R75-D77 IonicContact NE-OD2 3.1Å; R75-D77 PolarHBondContact NE-OD2 3.37Å; R75-D77 IonicContact NH2-OD1 3.84Å; R75-D77 IonicContact NH2-OD2 3.86Å; R75-I83 WeakPolarHBondContact O-CA 3.41Å; R75-D84 HydrophobicContact CB-CB 4.14Å; R75-D84 PolarHBondContact N-O 2.88Å; R75-D84 PolarHBondContact O-N 2.79Å
76V85.8Confident85Confident23 Ų2363 Ų6314%0.13930%0.302CS..EExtended strand (participates in β ladder)trans-127.8116177.3-178.70000108.4F13 V73 K78 I83F13-V76 HydrophobicContact CB-CG1 3.93Å; F13-V76 HydrophobicContact CD1-CG1 4.22Å; F13-V76 HydrophobicContact CG-CG1 4.21Å; V73-V76 HydrophobicContact CG1-CG2 3.36Å; V76-K78 HydrophobicContact CG1-CG 4.13Å; V76-I83 HydrophobicContact CG1-CG1 4.49Å; V76-I83 HydrophobicContact CG2-CG2 4.31Å
77D85.7Confident85.1Confident49 Ų4963 Ų6326%0.26229%0.289SS..EExtended strand (participates in β ladder)trans-97.594172.1-80.3-84.2000108.8R75 E79 K80 G81 Y82R75-D77 IonicContact CZ-OD2 3.7Å; R75-D77 IonicContact NE-OD1 2.69Å; R75-D77 IonicContact NE-OD2 3.1Å; R75-D77 PolarHBondContact NE-OD2 3.37Å; R75-D77 IonicContact NH2-OD1 3.84Å; R75-D77 IonicContact NH2-OD2 3.86Å; D77-E79 PolarHBondContact O-N 3.46Å; D77-K80 PolarHBondContact O-N 2.92Å; D77-G81 WeakPolarHBondContact O-CA 3.26Å; D77-G81 PolarHBondContact O-N 3.48Å; D77-Y82 PolarHBondContact N-O 3.37Å; D77-Y82 PolarHBondContact O-N 3.26Å
78K80.8Confident85Confident157 Ų15761.3 Ų61.368%0.68328%0.282SS*.THydrogen-bonded Turntrans-61.8-26.4-174.9-63.5179.8-178179.30113.7F13 V76F13-K78 HydrophobicContact CD2-CG 4.34Å; V76-K78 HydrophobicContact CG1-CG 4.13Å
79E78.6Confident84.7Confident193 Ų19364 Ų6490%0.90229%0.287SS*.THydrogen-bonded Turntrans-76.8-37-178.4-62.8-175.594.700112.8D77D77-E79 PolarHBondContact O-N 3.46Å
80K78.4Confident84.5Confident162 Ų16263 Ų6370%0.70428%0.283SS*.THydrogen-bonded Turntrans-102.9-11.4-178-63.5-173.8-179.4-179.80113.2D77 Y82D77-K80 PolarHBondContact O-N 2.92Å; K80-Y82 VanDerWaalsContact C-N 3.26Å; K80-Y82 HydrophobicContact CB-CD2 3.36Å; K80-Y82 HydrophobicContact CB-CE2 3.61Å; K80-Y82 HydrophobicContact CB-CG 4.39Å; K80-Y82 HydrophobicContact CD-CD2 4.04Å; K80-Y82 HydrophobicContact CD-CE2 3.95Å; K80-Y82 HydrophobicContact CG-CD2 4.34Å; K80-Y82 HydrophobicContact CG-CE2 4.37Å; K80-Y82 PolarHBondContact O-N 3.28Å
81G73.7Confident84.4Confident23 Ų2364.1 Ų64.124%0.23729%0.292CS..THydrogen-bonded Turntrans72.218-177.400000113.8D77D77-G81 WeakPolarHBondContact O-CA 3.26Å; D77-G81 PolarHBondContact O-N 3.48Å
82Y83Confident84Confident150 Ų15068.9 Ų68.959%0.58832%0.323SS*.EExtended strand (participates in β ladder)trans-85.4133.5176.4-66.6-62.2000110.6D77 K80D77-Y82 PolarHBondContact N-O 3.37Å; D77-Y82 PolarHBondContact O-N 3.26Å; K80-Y82 VanDerWaalsContact C-N 3.26Å; K80-Y82 HydrophobicContact CB-CD2 3.36Å; K80-Y82 HydrophobicContact CB-CE2 3.61Å; K80-Y82 HydrophobicContact CB-CG 4.39Å; K80-Y82 HydrophobicContact CD-CD2 4.04Å; K80-Y82 HydrophobicContact CD-CE2 3.95Å; K80-Y82 HydrophobicContact CG-CD2 4.34Å; K80-Y82 HydrophobicContact CG-CE2 4.37Å; K80-Y82 PolarHBondContact O-N 3.28Å
83I87Confident83.7Confident2 Ų274.9 Ų74.91%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-123.5116.1177.1-54.4173.8000107.6F13 P14 L36 I42 G44 M45 V73 R75 V76 L85F13-I83 HydrophobicContact CD1-CD1 4.41Å; P14-I83 HydrophobicContact CG-CD1 4.24Å; L36-I83 HydrophobicContact CD1-CD1 4.13Å; L36-I83 HydrophobicContact CD2-CD1 3.87Å; I42-I83 HydrophobicContact CG2-CD1 3.72Å; G44-I83 WeakPolarHBondContact CA-O 3.42Å; M45-I83 PolarHBondContact N-O 3.36Å; V73-I83 HydrophobicContact CG1-CG2 3.93Å; V73-I83 HydrophobicContact CG2-CG2 4.37Å; R75-I83 WeakPolarHBondContact O-CA 3.41Å; V76-I83 HydrophobicContact CG1-CG1 4.49Å; V76-I83 HydrophobicContact CG2-CG2 4.31Å; I83-L85 HydrophobicContact CG2-CD2 3.71Å; I83-L85 HydrophobicContact CG2-CG 4Å
84D88.9Confident83.4Confident44 Ų4478.4 Ų78.424%0.23537%0.366CS..EExtended strand (participates in β ladder)trans-87.2126.1172.5-70.6-62.2000109.6I74 R75I74-D84 PolarHBondContact N-O 3.25Å; R75-D84 HydrophobicContact CB-CB 4.14Å; R75-D84 PolarHBondContact N-O 2.88Å; R75-D84 PolarHBondContact O-N 2.79Å
85L88.9Confident83.1Confident0 Ų077.4 Ų77.40%037%0.365CS..EExtended strand (participates in β ladder)trans-120.1150.4-172.8-62.2165.2000110.6V20 V22 V34 L36 M45 I46 V71 V72 V73 I83V20-L85 HydrophobicContact CG2-CD2 4.28Å; V22-L85 HydrophobicContact CG1-CD1 4.14Å; V34-L85 HydrophobicContact CG2-CD1 3.2Å; L36-L85 HydrophobicContact CD1-CD1 4.11Å; M45-L85 PolarHBondContact O-N 2.96Å; I46-L85 HydrophobicContact CG1-CB 3.68Å; I46-L85 HydrophobicContact CG1-CD1 4.35Å; V71-L85 HydrophobicContact CB-CB 4.34Å; V71-L85 HydrophobicContact CG2-CB 4.13Å; V71-L85 HydrophobicContact CG2-CD1 4.14Å; V71-L85 HydrophobicContact CG2-CD2 3.9Å; V71-L85 HydrophobicContact CG2-CG 4.28Å; V72-L85 CarbonylContact O-C 3.57Å; V72-L85 WeakPolarHBondContact O-CA 3.46Å; V73-L85 HydrophobicContact CB-CD2 4.42Å; V73-L85 HydrophobicContact CG2-CD2 3.76Å; I83-L85 HydrophobicContact CG2-CD2 3.71Å; I83-L85 HydrophobicContact CG2-CG 4Å
86S87.7Confident83Confident0 Ų076.3 Ų76.30%037%0.369CS..EExtended strand (participates in β ladder)trans-133.8132.4175.3172.70000112.2E50 V71 V72 R88 R89E50-S86 PolarHBondContact O-OG 3.01Å; E50-S86 WeakPolarHBondContact OE2-CB 3.39Å; E50-S86 PolarHBondContact OE2-OG 3.32Å; V71-S86 WeakPolarHBondContact CA-O 3.2Å; V72-S86 WeakPolarHBondContact CG1-O 3.36Å; V72-S86 PolarHBondContact N-O 3.5Å; V72-S86 PolarHBondContact O-N 3.41Å; S86-R88 PolarHBondContact OG-N 3.24Å; S86-R89 PolarHBondContact OG-N 2.9Å
87K84.9Confident82.9Confident50 Ų5081.5 Ų81.522%0.21739%0.389CS..SBendtrans-89.4-25.9169.5-171.3178.4-177.4176.60111.3E50 L51 L62 E69 V71 R89 V90E50-K87 PolarHBondContact O-N 3.34Å; L51-K87 HydrophobicContact CD1-CB 4.19Å; L51-K87 HydrophobicContact CD1-CD 3.86Å; L62-K87 PolarHBondContact O-NZ 2.85Å; L62-K87 VanDerWaalsContact O-NZ 3.12Å; E69-K87 WeakPolarHBondContact OE2-CE 3.37Å; E69-K87 IonicContact OE2-NZ 3.63Å; E69-K87 PolarHBondContact OE2-NZ 2.93Å; V71-K87 HydrophobicContact CG1-CB 4.18Å; K87-R89 VanDerWaalsContact C-N 3.31Å; K87-R89 PolarHBondContact O-N 3.03Å; K87-V90 PolarHBondContact O-N 3.37Å
88R83.3Confident82.6Confident93 Ų9379.4 Ų79.435%0.35138%0.379SS..THydrogen-bonded Turntrans-64.5-34.1-174-170.5178.767.6115.1-7.8113.1E50 R53 S86E50-R88 WeakPolarHBondContact O-CB 3.34Å; E50-R88 PolarHBondContact O-N 3.28Å; E50-R88 IonicContact OE1-CZ 2.76Å; E50-R88 IonicContact OE1-NE 2.7Å; E50-R88 IonicContact OE1-NH2 3.67Å; E50-R88 PolarHBondContact OE1-NH2 3.45Å; E50-R88 IonicContact OE2-CZ 3Å; E50-R88 IonicContact OE2-NE 3.95Å; E50-R88 PolarHBondContact OE2-NE 2.91Å; E50-R88 VanDerWaalsContact OE2-NE 3.1Å; E50-R88 IonicContact OE2-NH2 3.79Å; R53-R88 HydrophobicContact CB-CG 4.29Å; R53-R88 HydrophobicContact CG-CG 3.34Å; R53-R88 PolarHBondContact NE-O 2.93Å; R53-R88 PolarHBondContact NH2-O 3.35Å; S86-R88 PolarHBondContact OG-N 3.24Å
89R80.1Confident82.6Confident130 Ų13077.4 Ų77.449%0.49137%0.372SS..THydrogen-bonded Turntrans-84.1-15.5-174.6-66.5-179.9-171-143.43.2113.5E50 V72 S86 K87 S91E50-R89 IonicContact OE1-NE 3.77Å; E50-R89 IonicContact OE1-NH2 3.31Å; E50-R89 IonicContact OE2-NE 3.84Å; V72-R89 HydrophobicContact CG1-CB 3.63Å; V72-R89 HydrophobicContact CG1-CG 4.44Å; S86-R89 PolarHBondContact OG-N 2.9Å; K87-R89 VanDerWaalsContact C-N 3.31Å; K87-R89 PolarHBondContact O-N 3.03Å; R89-S91 PolarHBondContact O-N 3.07Å
90V82.3Confident82.8Confident21 Ų2171.3 Ų71.313%0.12735%0.345CS..  trans-71.7126-178.8-177.30000110.7V19 V72 K87 E94 A95V19-V90 HydrophobicContact CG1-CG1 4.46Å; V72-V90 HydrophobicContact CB-CG2 4.13Å; K87-V90 PolarHBondContact O-N 3.37Å; V90-E94 HydrophobicContact CG1-CB 4.44Å; V90-A95 HydrophobicContact CG1-CB 3.99Å
91S83.2Confident82.9Confident42 Ų4264.5 Ų64.529%0.29432%0.316SS..  trans-82.2150.5170.4-52.60000110.5R89 E93 E94 A95R89-S91 PolarHBondContact O-N 3.07Å; S91-E93 PolarHBondContact O-N 3.47Å; S91-E94 VanDerWaalsContact CB-OE2 3.26Å; S91-E94 WeakPolarHBondContact CB-OE2 3.44Å; S91-E94 PolarHBondContact N-OE2 3.3Å; S91-E94 VanDerWaalsContact N-OE2 3.14Å; S91-E94 PolarHBondContact O-N 2.91Å; S91-E94 PolarHBondContact OG-OE2 3.11Å; S91-A95 PolarHBondContact O-N 2.92Å
92P80.8Confident83.2Confident101 Ų10164.1 Ų64.166%0.65631%0.307SS*.Hα-helixtrans-59.3-33.5178.124.2-33.5000112.4E94 A95 I96P92-E94 VanDerWaalsContact C-N 3.34Å; P92-E94 PolarHBondContact O-N 3.38Å; P92-A95 PolarHBondContact O-N 3.35Å; P92-I96 WeakPolarHBondContact O-CD1 3.47Å; P92-I96 VanDerWaalsContact O-CG1 3.3Å; P92-I96 WeakPolarHBondContact O-CG1 3.43Å; P92-I96 PolarHBondContact O-N 2.95Å; P92-I96 VanDerWaalsContact O-N 3.16Å
93E83.3Confident83.1Confident139 Ų13960.5 Ų60.565%0.6530%0.301SS*.Hα-helixtrans-64.7-36.6174.9-63.2179.687.900112.7S91 K97S91-E93 PolarHBondContact O-N 3.47Å; E93-K97 WeakPolarHBondContact O-CG 3.19Å; E93-K97 PolarHBondContact O-N 3.24Å
94E81.9Confident82.8Confident76 Ų7662.7 Ų62.736%0.35531%0.311SS..Hα-helixtrans-75.4-35.7178.1-63.9178.7106.700111.6V19 V90 S91 P92 I96 K97 C98V19-E94 HydrophobicContact CG2-CB 4.45Å; V90-E94 HydrophobicContact CG1-CB 4.44Å; S91-E94 VanDerWaalsContact CB-OE2 3.26Å; S91-E94 WeakPolarHBondContact CB-OE2 3.44Å; S91-E94 PolarHBondContact N-OE2 3.3Å; S91-E94 VanDerWaalsContact N-OE2 3.14Å; S91-E94 PolarHBondContact O-N 2.91Å; S91-E94 PolarHBondContact OG-OE2 3.11Å; P92-E94 VanDerWaalsContact C-N 3.34Å; P92-E94 PolarHBondContact O-N 3.38Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 2.97Å; E94-K97 PolarHBondContact O-N 2.8Å; E94-C98 VanDerWaalsContact O-CB 3.31Å; E94-C98 WeakPolarHBondContact O-CB 3.32Å; E94-C98 PolarHBondContact O-N 3.46Å
95A81.3Confident82.3Confident28 Ų2861 Ų6123%0.23130%0.302CS..Hα-helixtrans-60.3-42.7173.300000111.6C70 V90 S91 P92 C98 E99C70-A95 HydrophobicContact CB-CB 4.16Å; V90-A95 HydrophobicContact CG1-CB 3.99Å; S91-A95 PolarHBondContact O-N 2.92Å; P92-A95 PolarHBondContact O-N 3.35Å; A95-C98 PolarHBondContact O-N 3.32Å; A95-E99 WeakPolarHBondContact O-CB 3.46Å; A95-E99 PolarHBondContact O-N 2.9Å
96I84.2Confident81.8Confident119 Ų11966.7 Ų66.761%0.6133%0.327SS*.Hα-helixtrans-64.6-44.7177.6-63.8161.1000110.8P92 E94 C98 E99 D100P92-I96 WeakPolarHBondContact O-CD1 3.47Å; P92-I96 VanDerWaalsContact O-CG1 3.3Å; P92-I96 WeakPolarHBondContact O-CG1 3.43Å; P92-I96 PolarHBondContact O-N 2.95Å; P92-I96 VanDerWaalsContact O-N 3.16Å; E94-I96 VanDerWaalsContact C-N 3.33Å; E94-I96 PolarHBondContact O-N 2.97Å; I96-C98 VanDerWaalsContact C-N 3.32Å; I96-C98 PolarHBondContact O-N 2.83Å; I96-E99 PolarHBondContact O-N 2.82Å; I96-D100 WeakPolarHBondContact O-CB 3.43Å; I96-D100 PolarHBondContact O-N 3.22Å
97K82.2Confident81.4Confident132 Ų13268.8 Ų68.857%0.57434%0.34SS*.Hα-helixtrans-61.7-40.9175.9-70.6172.9-176174.30111.8E93 E94 D100 K101 Y147E93-K97 WeakPolarHBondContact O-CG 3.19Å; E93-K97 PolarHBondContact O-N 3.24Å; E94-K97 PolarHBondContact O-N 2.8Å; K97-D100 PolarHBondContact O-N 2.96Å; K97-K101 WeakPolarHBondContact O-CB 3.43Å; K97-K101 PolarHBondContact O-N 2.89Å; K97-Y147 PolarHBondContact O-OH 2.81Å
98C79.4Confident81.1Confident5 Ų566.8 Ų66.83%0.03433%0.332CS..Hα-helixtrans-65.2-41.6176.5-175.90000111.9V19 E94 A95 I96 K101 F102V19-C98 HydrophobicContact CB-CB 4.43Å; V19-C98 HydrophobicContact CG1-CB 3.73Å; E94-C98 VanDerWaalsContact O-CB 3.31Å; E94-C98 WeakPolarHBondContact O-CB 3.32Å; E94-C98 PolarHBondContact O-N 3.46Å; A95-C98 PolarHBondContact O-N 3.32Å; I96-C98 VanDerWaalsContact C-N 3.32Å; I96-C98 PolarHBondContact O-N 2.83Å; C98-K101 PolarHBondContact O-N 3Å; C98-F102 VanDerWaalsContact O-CB 3.27Å; C98-F102 WeakPolarHBondContact O-CB 3.11Å; C98-F102 PolarHBondContact O-N 2.92Å
99E81.9Confident80.8Confident116 Ų11663.7 Ų63.754%0.54232%0.321SS..Hα-helixtrans-65.4-41.1177.9-173.2171.68800111.9M21 A95 I96 F102 T103M21-E99 HydrophobicContact CE-CB 4.17Å; M21-E99 HydrophobicContact CE-CG 4.17Å; A95-E99 WeakPolarHBondContact O-CB 3.46Å; A95-E99 PolarHBondContact O-N 2.9Å; I96-E99 PolarHBondContact O-N 2.82Å; E99-F102 PolarHBondContact O-N 3.33Å; E99-T103 WeakPolarHBondContact O-CB 3.32Å; E99-T103 PolarHBondContact O-N 3.05Å; E99-T103 PolarHBondContact O-OG1 2.83Å
100D81.9Confident80.8Confident65 Ų6559.7 Ų59.735%0.34831%0.312SS..Hα-helixtrans-64.1-46.7174.1-179.6-108.3000111.5I96 K97 F102 T103 K104 Y147I96-D100 WeakPolarHBondContact O-CB 3.43Å; I96-D100 PolarHBondContact O-N 3.22Å; K97-D100 PolarHBondContact O-N 2.96Å; D100-F102 PolarHBondContact O-N 3Å; D100-T103 PolarHBondContact O-N 3.17Å; D100-K104 WeakPolarHBondContact O-CB 3.36Å; D100-K104 WeakPolarHBondContact O-CG 3.42Å; D100-K104 PolarHBondContact O-N 3.48Å; D100-K104 WeakPolarHBondContact OD1-CE 3.47Å; D100-K104 IonicContact OD1-NZ 3.73Å; D100-K104 PolarHBondContact OD1-NZ 2.76Å; D100-K104 WeakPolarHBondContact OD2-CE 3.26Å; D100-K104 IonicContact OD2-NZ 2.98Å; D100-K104 PolarHBondContact OD2-NZ 3.07Å; D100-Y147 VanDerWaalsContact OD1-CE1 3.24Å; D100-Y147 WeakPolarHBondContact OD1-CE1 3.24Å; D100-Y147 PolarHBondContact OD1-OH 3.28Å
101K80.6Confident80.7Confident18 Ų1858.7 Ų58.78%0.07831%0.306CS..Hα-helixtrans-56-50.5173.3179.7-179171-171.40110.9Y9 D18 K97 C98 T103 K104 S105 P145 Y147Y9-K101 WeakPolarHBondContact OH-CE 3.26Å; D18-K101 IonicContact OD1-NZ 3.86Å; D18-K101 IonicContact OD2-NZ 3.76Å; K97-K101 WeakPolarHBondContact O-CB 3.43Å; K97-K101 PolarHBondContact O-N 2.89Å; C98-K101 PolarHBondContact O-N 3Å; K101-T103 PolarHBondContact O-N 2.98Å; K101-K104 PolarHBondContact O-N 3.42Å; K101-S105 WeakPolarHBondContact O-CB 3.41Å; K101-S105 PolarHBondContact O-N 3.01Å; K101-S105 PolarHBondContact O-OG 2.78Å; K101-S105 VanDerWaalsContact O-OG 3.09Å; K101-P145 VanDerWaalsContact CE-O 3.29Å; K101-P145 WeakPolarHBondContact CE-O 3.47Å; K101-Y147 HydrophobicContact CB-CE2 4.01Å; K101-Y147 HydrophobicContact CG-CE2 4.36Å
102F80.2Confident80.3Confident15 Ų1556.8 Ų56.87%0.06629%0.293CS..Hα-helixtrans-62.2-42.2-179.7-178.7-103.9000112.2M21 L37 E38 C98 E99 D100 S105 K106M21-F102 HydrophobicContact CB-CB 4.1Å; M21-F102 HydrophobicContact CB-CD1 4.35Å; M21-F102 HydrophobicContact CB-CD2 3.61Å; M21-F102 HydrophobicContact CB-CE2 4.11Å; M21-F102 HydrophobicContact CB-CG 3.75Å; M21-F102 HydrophobicContact CE-CB 4.35Å; M21-F102 HydrophobicContact CE-CD1 4.19Å; M21-F102 HydrophobicContact CE-CG 4.39Å; M21-F102 HydrophobicContact CG-CD1 3.98Å; M21-F102 HydrophobicContact CG-CD2 4.03Å; M21-F102 HydrophobicContact CG-CE1 4.16Å; M21-F102 HydrophobicContact CG-CE2 4.22Å; M21-F102 HydrophobicContact CG-CG 3.91Å; M21-F102 HydrophobicContact CG-CZ 4.28Å; L37-F102 HydrophobicContact CB-CE2 3.78Å; L37-F102 HydrophobicContact CB-CZ 4.03Å; L37-F102 HydrophobicContact CD1-CE2 4.33Å; L37-F102 HydrophobicContact CD1-CZ 4.08Å; L37-F102 HydrophobicContact CD2-CZ 4.38Å; L37-F102 HydrophobicContact CG-CZ 4.41Å; E38-F102 HydrophobicContact CG-CD2 3.67Å; E38-F102 HydrophobicContact CG-CE2 3.91Å; C98-F102 VanDerWaalsContact O-CB 3.27Å; C98-F102 WeakPolarHBondContact O-CB 3.11Å; C98-F102 PolarHBondContact O-N 2.92Å; E99-F102 PolarHBondContact O-N 3.33Å; D100-F102 PolarHBondContact O-N 3Å; F102-S105 PolarHBondContact O-N 2.93Å; F102-K106 HydrophobicContact CE1-CD 4.16Å; F102-K106 WeakPolarHBondContact O-CB 3.45Å; F102-K106 PolarHBondContact O-N 3.13Å
103T82.1Confident80.2Confident75 Ų7558 Ų5846%0.4628%0.284SS..Hα-helixtrans-65.1-41179.7-60.60000111.8E99 D100 K101 T107E99-T103 WeakPolarHBondContact O-CB 3.32Å; E99-T103 PolarHBondContact O-N 3.05Å; E99-T103 PolarHBondContact O-OG1 2.83Å; D100-T103 PolarHBondContact O-N 3.17Å; K101-T103 PolarHBondContact O-N 2.98Å; T103-T107 PolarHBondContact O-N 2.97Å; T103-T107 PolarHBondContact O-OG1 3.28Å
104K79.8Confident79.9Confident47 Ų4754.8 Ų54.820%0.20427%0.269CS..Hα-helixtrans-65.2-51175.4-74.4171.8179.4167.40111.6D100 K101 K106 T107 V108 Y147 Y150D100-K104 WeakPolarHBondContact O-CB 3.36Å; D100-K104 WeakPolarHBondContact O-CG 3.42Å; D100-K104 PolarHBondContact O-N 3.48Å; D100-K104 WeakPolarHBondContact OD1-CE 3.47Å; D100-K104 IonicContact OD1-NZ 3.73Å; D100-K104 PolarHBondContact OD1-NZ 2.76Å; D100-K104 WeakPolarHBondContact OD2-CE 3.26Å; D100-K104 IonicContact OD2-NZ 2.98Å; D100-K104 PolarHBondContact OD2-NZ 3.07Å; K101-K104 PolarHBondContact O-N 3.42Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 2.98Å; K104-T107 WeakPolarHBondContact O-CB 3.41Å; K104-T107 PolarHBondContact O-N 2.77Å; K104-T107 VanDerWaalsContact O-N 3.1Å; K104-V108 PolarHBondContact O-N 3.49Å; K104-Y147 HydrophobicContact CD-CD1 4.25Å; K104-Y147 HydrophobicContact CD-CE1 4.2Å; K104-Y150 HydrophobicContact CB-CD2 4.18Å; K104-Y150 HydrophobicContact CB-CG 4.01Å; K104-Y150 HydrophobicContact CD-CD1 4.15Å; K104-Y150 HydrophobicContact CD-CG 4.28Å; K104-Y150 HydrophobicContact CG-CD1 4.09Å; K104-Y150 HydrophobicContact CG-CD2 4.15Å; K104-Y150 HydrophobicContact CG-CG 3.88Å
105S77.3Confident79.6Confident9 Ų951.3 Ų51.36%0.06325%0.253CS..Hα-helixtrans-58.6-40.6176.4-65.90000111.8F8 Y9 K101 F102 T107 V108 Y109 G146F8-S105 WeakPolarHBondContact CE1-O 3.38Å; Y9-S105 PolarHBondContact OH-OG 3.11Å; K101-S105 WeakPolarHBondContact O-CB 3.41Å; K101-S105 PolarHBondContact O-N 3.01Å; K101-S105 PolarHBondContact O-OG 2.78Å; K101-S105 VanDerWaalsContact O-OG 3.09Å; F102-S105 PolarHBondContact O-N 2.93Å; S105-T107 PolarHBondContact O-N 3.45Å; S105-V108 PolarHBondContact O-N 3.17Å; S105-Y109 WeakPolarHBondContact O-CB 3.34Å; S105-Y109 PolarHBondContact O-N 3.4Å; S105-G146 WeakPolarHBondContact OG-CA 3.33Å
106K80.1Confident79.2Confident120 Ų12050.4 Ų50.452%0.52225%0.245SC..Hα-helixtrans-63.2-39.1175-175.3179.2177.1-175.10112.8F102 K104 S110F102-K106 HydrophobicContact CE1-CD 4.16Å; F102-K106 WeakPolarHBondContact O-CB 3.45Å; F102-K106 PolarHBondContact O-N 3.13Å; K104-K106 VanDerWaalsContact C-N 3.3Å; K104-K106 PolarHBondContact O-N 2.98Å; K106-S110 WeakPolarHBondContact O-CB 3.44Å; K106-S110 PolarHBondContact O-N 3.45Å
107T78.6Confident78.8Confident44 Ų4450.8 Ų50.827%0.2725%0.245SC..Hα-helixtrans-63.2-48.2175.6-56.60000110.6T103 K104 S105 Y109 S110 I111 Y150 L184T103-T107 PolarHBondContact O-N 2.97Å; T103-T107 PolarHBondContact O-OG1 3.28Å; K104-T107 WeakPolarHBondContact O-CB 3.41Å; K104-T107 PolarHBondContact O-N 2.77Å; K104-T107 VanDerWaalsContact O-N 3.1Å; S105-T107 PolarHBondContact O-N 3.45Å; T107-Y109 PolarHBondContact O-N 3.17Å; T107-S110 WeakPolarHBondContact O-CB 3.45Å; T107-S110 PolarHBondContact O-N 3.34Å; T107-I111 HydrophobicContact CG2-CD1 4.09Å; T107-I111 WeakPolarHBondContact O-CG1 3.47Å; T107-I111 PolarHBondContact O-N 2.6Å; T107-Y150 HydrophobicContact CG2-CE2 4.38Å; T107-L184 HydrophobicContact CG2-CD1 3.81Å
108V78.1Confident78.6Confident8 Ų848.1 Ų48.15%0.04824%0.24CC..Hα-helixtrans-59-49.7175.91760000110.5K104 S105 S110 I111 L112 A149 F153K104-V108 PolarHBondContact O-N 3.49Å; S105-V108 PolarHBondContact O-N 3.17Å; V108-S110 VanDerWaalsContact C-N 3.29Å; V108-S110 PolarHBondContact O-N 3.14Å; V108-I111 WeakPolarHBondContact O-CB 3.35Å; V108-I111 PolarHBondContact O-N 3.03Å; V108-I111 VanDerWaalsContact O-N 3.07Å; V108-L112 HydrophobicContact CG1-CD1 3.71Å; V108-L112 WeakPolarHBondContact O-CD1 3.11Å; V108-L112 PolarHBondContact O-N 3.47Å; V108-A149 HydrophobicContact CG1-CB 4.32Å; V108-A149 HydrophobicContact CG2-CB 4.3Å; V108-F153 HydrophobicContact CG1-CE2 4.29Å; V108-F153 HydrophobicContact CG1-CZ 4.19Å
109Y78.6Confident78.2Confident28 Ų2850.1 Ų50.111%0.1125%0.249CC..Hα-helixtrans-57.2-41.2176.4-178.2-90.5000112.7F4 S5 C6 F8 S105 T107 I111 L112 R113 F131F4-Y109 PolarHBondContact O-OH 2.7Å; S5-Y109 WeakPolarHBondContact CA-OH 3.32Å; C6-Y109 HydrophobicContact CB-CE2 4.21Å; C6-Y109 PolarHBondContact N-OH 3.05Å; C6-Y109 WeakPolarHBondContact O-CE2 3.48Å; F8-Y109 HydrophobicContact CD1-CD2 4.38Å; F8-Y109 HydrophobicContact CD1-CG 4.42Å; F8-Y109 HydrophobicContact CD2-CD2 4.13Å; F8-Y109 HydrophobicContact CE1-CD2 4.04Å; F8-Y109 AromaticContact CE1-CG 3.7Å; F8-Y109 HydrophobicContact CE1-CG 3.7Å; F8-Y109 HydrophobicContact CE2-CD1 4.44Å; F8-Y109 AromaticContact CE2-CD2 3.72Å; F8-Y109 HydrophobicContact CE2-CD2 3.72Å; F8-Y109 HydrophobicContact CE2-CE2 4.09Å; F8-Y109 AromaticContact CE2-CG 3.93Å; F8-Y109 HydrophobicContact CE2-CG 3.93Å; F8-Y109 HydrophobicContact CG-CD2 4.47Å; F8-Y109 AromaticContact CZ-CD1 3.89Å; F8-Y109 HydrophobicContact CZ-CD1 3.89Å; F8-Y109 AromaticContact CZ-CD2 3.68Å; F8-Y109 HydrophobicContact CZ-CD2 3.68Å; F8-Y109 HydrophobicContact CZ-CE2 4.39Å; F8-Y109 AromaticContact CZ-CG 3.4Å; F8-Y109 HydrophobicContact CZ-CG 3.4Å; F8-Y109 VanDerWaalsContact CZ-CG 3.4Å; S105-Y109 WeakPolarHBondContact O-CB 3.34Å; S105-Y109 PolarHBondContact O-N 3.4Å; T107-Y109 PolarHBondContact O-N 3.17Å; Y109-I111 VanDerWaalsContact C-N 3.32Å; Y109-I111 PolarHBondContact O-N 3.04Å; Y109-L112 PolarHBondContact O-N 3.1Å; Y109-R113 HydrophobicContact CE1-CB 4.48Å; Y109-R113 WeakPolarHBondContact O-CB 3.47Å; Y109-R113 PolarHBondContact O-N 3.13Å; Y109-F131 AromaticContact CD2-CE1 3.96Å; Y109-F131 HydrophobicContact CD2-CE1 3.96Å; Y109-F131 HydrophobicContact CD2-CE2 4.43Å; Y109-F131 AromaticContact CD2-CZ 3.46Å; Y109-F131 HydrophobicContact CD2-CZ 3.46Å; Y109-F131 VanDerWaalsContact CD2-CZ 3.46Å; Y109-F131 HydrophobicContact CE2-CE2 4.41Å; Y109-F131 AromaticContact CE2-CZ 3.84Å; Y109-F131 HydrophobicContact CE2-CZ 3.84Å; Y109-F131 HydrophobicContact CG-CZ 4.35Å
110S80.1Confident77.7Confident45 Ų4552.2 Ų52.232%0.31526%0.259SS..Hα-helixtrans-64.9-35.7177.4-171.40000112.5K106 T107 V108 H114K106-S110 WeakPolarHBondContact O-CB 3.44Å; K106-S110 PolarHBondContact O-N 3.45Å; T107-S110 WeakPolarHBondContact O-CB 3.45Å; T107-S110 PolarHBondContact O-N 3.34Å; V108-S110 VanDerWaalsContact C-N 3.29Å; V108-S110 PolarHBondContact O-N 3.14Å; S110-H114 WeakPolarHBondContact O-CB 3.37Å; S110-H114 PolarHBondContact O-N 2.98Å; S110-H114 VanDerWaalsContact O-N 3.13Å
111I78.7Confident77Confident1 Ų151.4 Ų51.41%0.00525%0.252CS..Hα-helixtrans-68.6-51.3176.6-67162.1000109.4T107 V108 Y109 R113 H114 V115 F153 L176 N179 I180 R183 L184T107-I111 HydrophobicContact CG2-CD1 4.09Å; T107-I111 WeakPolarHBondContact O-CG1 3.47Å; T107-I111 PolarHBondContact O-N 2.6Å; V108-I111 WeakPolarHBondContact O-CB 3.35Å; V108-I111 PolarHBondContact O-N 3.03Å; V108-I111 VanDerWaalsContact O-N 3.07Å; Y109-I111 VanDerWaalsContact C-N 3.32Å; Y109-I111 PolarHBondContact O-N 3.04Å; I111-R113 VanDerWaalsContact C-N 3.28Å; I111-R113 PolarHBondContact O-N 3.35Å; I111-H114 PolarHBondContact O-N 2.98Å; I111-H114 VanDerWaalsContact O-N 3.11Å; I111-V115 HydrophobicContact CG2-CG2 4.46Å; I111-V115 WeakPolarHBondContact O-CG2 3.26Å; I111-V115 PolarHBondContact O-N 3.03Å; I111-F153 HydrophobicContact CD1-CD1 4.37Å; I111-F153 HydrophobicContact CG2-CE1 4.21Å; I111-L176 HydrophobicContact CG2-CD1 4.18Å; I111-N179 HydrophobicContact CG2-CB 4.21Å; I111-I180 HydrophobicContact CG2-CG1 4.13Å; I111-R183 HydrophobicContact CD1-CB 4.25Å; I111-R183 HydrophobicContact CG1-CB 4.18Å; I111-R183 HydrophobicContact CG1-CG 4.24Å; I111-L184 HydrophobicContact CD1-CD1 3.9Å
112L75.8Confident75.9Confident2 Ų255.8 Ų55.81%0.0128%0.28CS..Hα-helixtrans-61.5-37.4178.9-86.275.1000112.1V108 Y109 V115 A116 F131 T134 A135 F153V108-L112 HydrophobicContact CG1-CD1 3.71Å; V108-L112 WeakPolarHBondContact O-CD1 3.11Å; V108-L112 PolarHBondContact O-N 3.47Å; Y109-L112 PolarHBondContact O-N 3.1Å; L112-V115 PolarHBondContact O-N 3.43Å; L112-A116 WeakPolarHBondContact O-CB 3.47Å; L112-A116 PolarHBondContact O-N 3.45Å; L112-F131 HydrophobicContact CB-CE1 4.41Å; L112-F131 HydrophobicContact CB-CE2 3.98Å; L112-F131 HydrophobicContact CB-CZ 3.74Å; L112-F131 HydrophobicContact CD2-CD1 3.71Å; L112-F131 HydrophobicContact CD2-CD2 3.99Å; L112-F131 HydrophobicContact CD2-CE1 3.59Å; L112-F131 HydrophobicContact CD2-CE2 3.88Å; L112-F131 HydrophobicContact CD2-CG 3.91Å; L112-F131 HydrophobicContact CD2-CZ 3.67Å; L112-F131 HydrophobicContact CG-CZ 4.34Å; L112-T134 WeakPolarHBondContact CD2-OG1 3.44Å; L112-A135 HydrophobicContact CD2-CB 4.35Å; L112-F153 HydrophobicContact CD1-CE1 3.98Å; L112-F153 HydrophobicContact CD1-CZ 3.68Å
113R77.5Confident75.2Confident125 Ų12561 Ų6147%0.47230%0.303SS..Hα-helixtrans-62.5-43.3174.5-179.5179.7172.8-174.7-1.3111.8Y109 I111 A116 E117Y109-R113 HydrophobicContact CE1-CB 4.48Å; Y109-R113 WeakPolarHBondContact O-CB 3.47Å; Y109-R113 PolarHBondContact O-N 3.13Å; I111-R113 VanDerWaalsContact C-N 3.28Å; I111-R113 PolarHBondContact O-N 3.35Å; R113-A116 PolarHBondContact O-N 3.16Å; R113-E117 PolarHBondContact O-N 3.43Å
114H77.4Confident74.2Confident73 Ų7363.2 Ų63.234%0.33831%0.308SS..Hα-helixtrans-69.1-38.7179-168.4-88.8000111.4S110 I111 A116 E117 V118 N179S110-H114 WeakPolarHBondContact O-CB 3.37Å; S110-H114 PolarHBondContact O-N 2.98Å; S110-H114 VanDerWaalsContact O-N 3.13Å; I111-H114 PolarHBondContact O-N 2.98Å; I111-H114 VanDerWaalsContact O-N 3.11Å; H114-A116 VanDerWaalsContact C-N 3.31Å; H114-A116 PolarHBondContact O-N 3.42Å; H114-E117 PolarHBondContact O-N 2.79Å; H114-V118 VanDerWaalsContact O-CG2 3.3Å; H114-V118 WeakPolarHBondContact O-CG2 3.39Å; H114-V118 PolarHBondContact O-N 2.83Å; H114-N179 PolarHBondContact CE1-OD1 3.09Å; H114-N179 PolarHBondContact ND1-OD1 2.89Å
115V75.3Confident73.5Confident2 Ų268 Ų681%0.01233%0.331CS..Hα-helixtrans-59.8-43.5171.8172.60000110.7I111 L112 E117 V118 L119 V175 L176 N179I111-V115 HydrophobicContact CG2-CG2 4.46Å; I111-V115 WeakPolarHBondContact O-CG2 3.26Å; I111-V115 PolarHBondContact O-N 3.03Å; L112-V115 PolarHBondContact O-N 3.43Å; V115-E117 VanDerWaalsContact C-N 3.34Å; V115-E117 PolarHBondContact O-N 3.34Å; V115-V118 PolarHBondContact O-N 3.24Å; V115-L119 HydrophobicContact CG1-CD1 3.57Å; V115-L119 HydrophobicContact CG1-CG 4.45Å; V115-L119 WeakPolarHBondContact O-CB 3.48Å; V115-L119 WeakPolarHBondContact O-CD1 3.16Å; V115-L119 VanDerWaalsContact O-CG 3.25Å; V115-L119 WeakPolarHBondContact O-CG 3.39Å; V115-L119 PolarHBondContact O-N 3.47Å; V115-V175 HydrophobicContact CG1-CG1 4.22Å; V115-V175 HydrophobicContact CG2-CG1 4.36Å; V115-L176 HydrophobicContact CG2-CB 4.5Å; V115-L176 HydrophobicContact CG2-CD1 3.91Å; V115-N179 HydrophobicContact CG2-CB 3.97Å
116A73.3Confident72.9Confident9 Ų971.4 Ų71.47%0.07435%0.346CS..Hα-helixtrans-66.4-32.3176.500000113.9L112 R113 H114 E120 Y121 L127L112-A116 WeakPolarHBondContact O-CB 3.47Å; L112-A116 PolarHBondContact O-N 3.45Å; R113-A116 PolarHBondContact O-N 3.16Å; H114-A116 VanDerWaalsContact C-N 3.31Å; H114-A116 PolarHBondContact O-N 3.42Å; A116-E120 PolarHBondContact O-N 2.86Å; A116-Y121 HydrophobicContact CB-CD2 3.9Å; A116-Y121 PolarHBondContact O-N 3.49Å; A116-L127 HydrophobicContact CB-CD1 3.59Å
117E76.4Confident72.3Confident127 Ų12766 Ų6659%0.59332%0.323SS*.Hα-helixtrans-70.6-41.9174.8-169.7170.29500111.3R113 H114 V115 L119 E120R113-E117 PolarHBondContact O-N 3.43Å; H114-E117 PolarHBondContact O-N 2.79Å; V115-E117 VanDerWaalsContact C-N 3.34Å; V115-E117 PolarHBondContact O-N 3.34Å; E117-L119 VanDerWaalsContact C-N 3.33Å; E117-E120 PolarHBondContact O-N 2.93Å
118V77.8Confident71.8Confident77 Ų7767.7 Ų67.747%0.46733%0.328SS..Hα-helixtrans-67-34.4176.6172.60000111.9H114 V115 E120 V175H114-V118 VanDerWaalsContact O-CG2 3.3Å; H114-V118 WeakPolarHBondContact O-CG2 3.39Å; H114-V118 PolarHBondContact O-N 2.83Å; V115-V118 PolarHBondContact O-N 3.24Å; V118-E120 VanDerWaalsContact C-N 3.25Å; V118-E120 PolarHBondContact O-N 2.85Å; V118-V175 HydrophobicContact CB-CG1 4.26Å; V118-V175 HydrophobicContact CG1-CG1 3.88Å
119L71.6Confident71.3Confident46 Ų4669.3 Ų69.324%0.24134%0.339CS..THydrogen-bonded Turntrans-854.2176.6-65.1166.4000113.2V115 E117 Y121 E172V115-L119 HydrophobicContact CG1-CD1 3.57Å; V115-L119 HydrophobicContact CG1-CG 4.45Å; V115-L119 WeakPolarHBondContact O-CB 3.48Å; V115-L119 WeakPolarHBondContact O-CD1 3.16Å; V115-L119 VanDerWaalsContact O-CG 3.25Å; V115-L119 WeakPolarHBondContact O-CG 3.39Å; V115-L119 PolarHBondContact O-N 3.47Å; E117-L119 VanDerWaalsContact C-N 3.33Å; L119-Y121 HydrophobicContact CB-CD2 4.13Å; L119-Y121 HydrophobicContact CB-CE1 4.3Å; L119-Y121 HydrophobicContact CB-CE2 3.76Å; L119-Y121 HydrophobicContact CD1-CE2 3.65Å; L119-Y121 HydrophobicContact CG-CE2 4.37Å; L119-Y121 PolarHBondContact O-N 2.8Å; L119-E172 HydrophobicContact CD1-CB 4.41Å; L119-E172 HydrophobicContact CD1-CG 3.98Å
120E70.1Confident70.9Confident161 Ų16168.5 Ų68.575%0.75234%0.337SS*.THydrogen-bonded Turntrans52.636.7178.7-58.1-171.693.900114.1A116 E117 V118 T122A116-E120 PolarHBondContact O-N 2.86Å; E117-E120 PolarHBondContact O-N 2.93Å; V118-E120 VanDerWaalsContact C-N 3.25Å; V118-E120 PolarHBondContact O-N 2.85Å; E120-T122 PolarHBondContact O-N 2.79Å; E120-T122 VanDerWaalsContact O-N 3.1Å
121Y67.8Low70.4Confident47 Ų4766.5 Ų66.518%0.18432%0.323CS..  trans-66117.3175.4-67.5-41.9000110.5A116 L119 Q126 L130 E172A116-Y121 HydrophobicContact CB-CD2 3.9Å; A116-Y121 PolarHBondContact O-N 3.49Å; L119-Y121 HydrophobicContact CB-CD2 4.13Å; L119-Y121 HydrophobicContact CB-CE1 4.3Å; L119-Y121 HydrophobicContact CB-CE2 3.76Å; L119-Y121 HydrophobicContact CD1-CE2 3.65Å; L119-Y121 HydrophobicContact CG-CE2 4.37Å; L119-Y121 PolarHBondContact O-N 2.8Å; Y121-Q126 HydrophobicContact CD1-CB 4.05Å; Y121-Q126 HydrophobicContact CG-CB 4.13Å; Y121-L130 HydrophobicContact CE2-CD2 4.43Å; Y121-E172 PolarHBondContact OH-OE1 2.87Å
122T58.1Low69.9Low111 Ų11169.4 Ų69.468%0.68134%0.34SS*.  trans-98-5.3-176.638.90000112.9E120E120-T122 PolarHBondContact O-N 2.79Å; E120-T122 VanDerWaalsContact O-N 3.1Å
123K64Low69.5Low123 Ų12374.9 Ų74.954%0.53536%0.361SS..  trans-120.9134.4-177.8-63.8-177.1-179.8-178.60112.4E125 Q126 L127K123-E125 PolarHBondContact O-N 3.31Å; K123-Q126 HydrophobicContact CB-CG 4.21Å; K123-Q126 PolarHBondContact O-N 3.25Å; K123-Q126 VanDerWaalsContact O-N 3.09Å; K123-L127 PolarHBondContact O-N 2.92Å
124E61.5Low68.9Low122 Ų12269 Ų6957%0.5734%0.339SS*.Hα-helixtrans-58.6-29.9174-65.7175.5104.100112.3F4 L127 E128F4-E124 HydrophobicContact CD1-CG 3.95Å; F4-E124 HydrophobicContact CE1-CG 4.48Å; E124-L127 PolarHBondContact O-N 2.69Å; E124-E128 WeakPolarHBondContact O-CB 3.36Å; E124-E128 PolarHBondContact O-N 3.03Å
125E65.6Low68.3Low147 Ų14765.9 Ų65.969%0.68733%0.326SS*.Hα-helixtrans-68.6-32.8176-68.1172.490.100113.4K123 E128 S129K123-E125 PolarHBondContact O-N 3.31Å; E125-E128 PolarHBondContact O-N 3.49Å; E125-S129 VanDerWaalsContact O-CB 3.32Å; E125-S129 WeakPolarHBondContact O-CB 3.49Å; E125-S129 PolarHBondContact O-N 3Å
126Q65.5Low68.1Low82 Ų8267.1 Ų67.138%0.38333%0.33SS..Hα-helixtrans-72.9-36.9176.7-69.7176.6-56.500110.5Y121 K123 S129 L130Y121-Q126 HydrophobicContact CD1-CB 4.05Å; Y121-Q126 HydrophobicContact CG-CB 4.13Å; K123-Q126 HydrophobicContact CB-CG 4.21Å; K123-Q126 PolarHBondContact O-N 3.25Å; K123-Q126 VanDerWaalsContact O-N 3.09Å; Q126-S129 PolarHBondContact O-N 3.37Å; Q126-L130 WeakPolarHBondContact O-CB 3.36Å; Q126-L130 PolarHBondContact O-N 3.44Å
127L67.1Low67.6Low7 Ų769.7 Ų69.74%0.03735%0.345CS..Hα-helixtrans-64-47.5171-169.160.7000110.5F4 C6 A116 K123 E124 S129 L130 F131F4-L127 HydrophobicContact CB-CD2 4.31Å; C6-L127 HydrophobicContact CB-CD2 3.67Å; C6-L127 HydrophobicContact CB-CG 3.91Å; A116-L127 HydrophobicContact CB-CD1 3.59Å; K123-L127 PolarHBondContact O-N 2.92Å; E124-L127 PolarHBondContact O-N 2.69Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-S129 PolarHBondContact O-N 3Å; L127-L130 WeakPolarHBondContact O-CB 3.15Å; L127-L130 PolarHBondContact O-N 3.31Å; L127-L130 VanDerWaalsContact O-N 3.08Å; L127-F131 HydrophobicContact CD1-CD2 3.92Å; L127-F131 HydrophobicContact CD1-CE2 3.61Å; L127-F131 HydrophobicContact CD2-CE2 4.32Å; L127-F131 HydrophobicContact CG-CD2 3.83Å; L127-F131 HydrophobicContact CG-CE2 3.73Å; L127-F131 VanDerWaalsContact O-CD2 3.28Å; L127-F131 WeakPolarHBondContact O-CD2 3.46Å; L127-F131 PolarHBondContact O-N 2.85Å
128E67.5Low67Low79 Ų7963.8 Ų63.837%0.36932%0.317SS..Hα-helixtrans-61.4-38.7177.3-167.4170.182.500112E124 E125 F131 T132 W136E124-E128 WeakPolarHBondContact O-CB 3.36Å; E124-E128 PolarHBondContact O-N 3.03Å; E125-E128 PolarHBondContact O-N 3.49Å; E128-F131 PolarHBondContact O-N 3.1Å; E128-T132 WeakPolarHBondContact O-CB 3.31Å; E128-T132 PolarHBondContact O-N 3.01Å; E128-T132 PolarHBondContact O-OG1 3.33Å; E128-W136 HydrophobicContact CG-CH2 3.96Å
129S67.7Low66.2Low42 Ų4261.2 Ų61.229%0.29430%0.301SS..Hα-helixtrans-61.9-42.8172176.70000111.9E125 Q126 L127 T132 R133E125-S129 VanDerWaalsContact O-CB 3.32Å; E125-S129 WeakPolarHBondContact O-CB 3.49Å; E125-S129 PolarHBondContact O-N 3Å; Q126-S129 PolarHBondContact O-N 3.37Å; L127-S129 VanDerWaalsContact C-N 3.31Å; L127-S129 PolarHBondContact O-N 3Å; S129-T132 PolarHBondContact O-N 2.82Å; S129-R133 WeakPolarHBondContact O-CB 3.3Å; S129-R133 VanDerWaalsContact O-CG 3.26Å; S129-R133 WeakPolarHBondContact O-CG 3.22Å; S129-R133 PolarHBondContact O-N 2.91Å; S129-R133 PolarHBondContact OG-NE 3.36Å
130L70.9Confident65.6Low10 Ų1065.5 Ų65.55%0.05232%0.32CS..Hα-helixtrans-62.7-46.9175.6-17470.9000110.9Y121 Q126 L127 T132 R133 T134 L168Y121-L130 HydrophobicContact CE2-CD2 4.43Å; Q126-L130 WeakPolarHBondContact O-CB 3.36Å; Q126-L130 PolarHBondContact O-N 3.44Å; L127-L130 WeakPolarHBondContact O-CB 3.15Å; L127-L130 PolarHBondContact O-N 3.31Å; L127-L130 VanDerWaalsContact O-N 3.08Å; L130-T132 VanDerWaalsContact C-N 3.34Å; L130-T132 PolarHBondContact O-N 2.89Å; L130-R133 PolarHBondContact O-N 3.49Å; L130-T134 HydrophobicContact CD1-CG2 4.37Å; L130-T134 WeakPolarHBondContact O-CB 3.41Å; L130-T134 PolarHBondContact O-N 2.95Å; L130-T134 PolarHBondContact O-OG1 3.38Å; L130-L168 HydrophobicContact CD1-CD2 3.79Å
131F68.1Low65.1Low4 Ų463.7 Ų63.72%0.01831%0.309CS..Hα-helixtrans-62.8-38.4176.2-87.9-91.3000112.3C6 Y109 L112 L127 E128 T134 A135 W136C6-F131 HydrophobicContact CB-CD2 4.02Å; C6-F131 HydrophobicContact CB-CE2 3.93Å; Y109-F131 AromaticContact CD2-CE1 3.96Å; Y109-F131 HydrophobicContact CD2-CE1 3.96Å; Y109-F131 HydrophobicContact CD2-CE2 4.43Å; Y109-F131 AromaticContact CD2-CZ 3.46Å; Y109-F131 HydrophobicContact CD2-CZ 3.46Å; Y109-F131 VanDerWaalsContact CD2-CZ 3.46Å; Y109-F131 HydrophobicContact CE2-CE2 4.41Å; Y109-F131 AromaticContact CE2-CZ 3.84Å; Y109-F131 HydrophobicContact CE2-CZ 3.84Å; Y109-F131 HydrophobicContact CG-CZ 4.35Å; L112-F131 HydrophobicContact CB-CE1 4.41Å; L112-F131 HydrophobicContact CB-CE2 3.98Å; L112-F131 HydrophobicContact CB-CZ 3.74Å; L112-F131 HydrophobicContact CD2-CD1 3.71Å; L112-F131 HydrophobicContact CD2-CD2 3.99Å; L112-F131 HydrophobicContact CD2-CE1 3.59Å; L112-F131 HydrophobicContact CD2-CE2 3.88Å; L112-F131 HydrophobicContact CD2-CG 3.91Å; L112-F131 HydrophobicContact CD2-CZ 3.67Å; L112-F131 HydrophobicContact CG-CZ 4.34Å; L127-F131 HydrophobicContact CD1-CD2 3.92Å; L127-F131 HydrophobicContact CD1-CE2 3.61Å; L127-F131 HydrophobicContact CD2-CE2 4.32Å; L127-F131 HydrophobicContact CG-CD2 3.83Å; L127-F131 HydrophobicContact CG-CE2 3.73Å; L127-F131 VanDerWaalsContact O-CD2 3.28Å; L127-F131 WeakPolarHBondContact O-CD2 3.46Å; L127-F131 PolarHBondContact O-N 2.85Å; E128-F131 PolarHBondContact O-N 3.1Å; F131-T134 PolarHBondContact O-N 2.69Å; F131-A135 HydrophobicContact CD1-CB 3.73Å; F131-A135 HydrophobicContact CE1-CB 4.43Å; F131-A135 PolarHBondContact O-N 3.16Å; F131-W136 PolarHBondContact O-N 3.23Å
132T68.6Low64.7Low61 Ų6165 Ų6537%0.37431%0.314SS..Iπ-helixtrans-63.4-44.7175.8-57.10000111.2E128 S129 L130 W136E128-T132 WeakPolarHBondContact O-CB 3.31Å; E128-T132 PolarHBondContact O-N 3.01Å; E128-T132 PolarHBondContact O-OG1 3.33Å; S129-T132 PolarHBondContact O-N 2.82Å; L130-T132 VanDerWaalsContact C-N 3.34Å; L130-T132 PolarHBondContact O-N 2.89Å; T132-W136 HydrophobicContact CG2-CE3 3.85Å; T132-W136 HydrophobicContact CG2-CZ3 4.15Å; T132-W136 VanDerWaalsContact OG1-CE3 3.3Å; T132-W136 WeakPolarHBondContact OG1-CZ3 3.28Å
133R67.1Low64.4Low118 Ų11868.8 Ų68.845%0.44532%0.321SS..Iπ-helixtrans-76-27-178.8-69174.7-173.1-178.10113.3S129 L130 V137 L166S129-R133 WeakPolarHBondContact O-CB 3.3Å; S129-R133 VanDerWaalsContact O-CG 3.26Å; S129-R133 WeakPolarHBondContact O-CG 3.22Å; S129-R133 PolarHBondContact O-N 2.91Å; S129-R133 PolarHBondContact OG-NE 3.36Å; L130-R133 PolarHBondContact O-N 3.49Å; R133-V137 WeakPolarHBondContact O-CG2 3.44Å; R133-L166 WeakPolarHBondContact O-CD2 3.41Å; R133-L166 WeakPolarHBondContact O-CG 3.3Å
134T66.3Low64.2Low2 Ų271 Ų711%0.01233%0.326CS..Iπ-helixtrans-106.5-80-178.1560000112.2L112 L130 F131 W136 V137 F138 L166 L168L112-T134 WeakPolarHBondContact CD2-OG1 3.44Å; L130-T134 HydrophobicContact CD1-CG2 4.37Å; L130-T134 WeakPolarHBondContact O-CB 3.41Å; L130-T134 PolarHBondContact O-N 2.95Å; L130-T134 PolarHBondContact O-OG1 3.38Å; F131-T134 PolarHBondContact O-N 2.69Å; T134-W136 VanDerWaalsContact C-N 3.34Å; T134-W136 PolarHBondContact O-N 3.32Å; T134-V137 PolarHBondContact O-N 2.81Å; T134-F138 WeakPolarHBondContact O-CD2 3.4Å; T134-F138 WeakPolarHBondContact O-CG 3.38Å; T134-F138 PolarHBondContact O-N 3.1Å; T134-F138 VanDerWaalsContact O-N 3.16Å; T134-L166 HydrophobicContact CG2-CD2 3.53Å; T134-L168 HydrophobicContact CG2-CD1 3.69Å; T134-L168 HydrophobicContact CG2-CD2 4.12Å; T134-L168 HydrophobicContact CG2-CG 4.35Å
135A65.3Low63.9Low7 Ų768.1 Ų68.16%0.05832%0.318CS..Iπ-helixtrans-58.5-41.4-168.900000112.9L112 F131 F138 D139L112-A135 HydrophobicContact CD2-CB 4.35Å; F131-A135 HydrophobicContact CD1-CB 3.73Å; F131-A135 HydrophobicContact CE1-CB 4.43Å; F131-A135 PolarHBondContact O-N 3.16Å; A135-F138 PolarHBondContact O-N 3.32Å; A135-D139 PolarHBondContact O-N 2.84Å
136W69Low63.4Low28 Ų2861.3 Ų61.311%0.10629%0.287CS..Iπ-helixtrans-78.6-32.1-176.9-58.7-12.9000113.3Y9 Q10 E128 F131 T132 T134 F138 D139 E140Y9-W136 VanDerWaalsContact C-NE1 3.27Å; Q10-W136 VanDerWaalsContact CA-CE2 3.42Å; Q10-W136 HydrophobicContact CB-CB 4.19Å; Q10-W136 HydrophobicContact CB-CD2 3.64Å; Q10-W136 HydrophobicContact CB-CE3 3.97Å; Q10-W136 HydrophobicContact CB-CG 3.72Å; Q10-W136 HydrophobicContact CG-CB 4.49Å; Q10-W136 HydrophobicContact CG-CD2 3.92Å; Q10-W136 HydrophobicContact CG-CE3 3.7Å; Q10-W136 HydrophobicContact CG-CG 4.26Å; Q10-W136 HydrophobicContact CG-CZ3 4.27Å; E128-W136 HydrophobicContact CG-CH2 3.96Å; F131-W136 PolarHBondContact O-N 3.23Å; T132-W136 HydrophobicContact CG2-CE3 3.85Å; T132-W136 HydrophobicContact CG2-CZ3 4.15Å; T132-W136 VanDerWaalsContact OG1-CE3 3.3Å; T132-W136 WeakPolarHBondContact OG1-CZ3 3.28Å; T134-W136 VanDerWaalsContact C-N 3.34Å; T134-W136 PolarHBondContact O-N 3.32Å; W136-F138 VanDerWaalsContact C-N 3.27Å; W136-F138 PolarHBondContact O-N 3.2Å; W136-D139 PolarHBondContact O-N 2.84Å; W136-E140 WeakPolarHBondContact O-CB 3.15Å; W136-E140 PolarHBondContact O-N 2.89Å
137V64.6Low63.1Low63 Ų6361 Ų6138%0.38228%0.283SS..Hα-helixtrans-61.1-40.6170.3174.20000110.4R133 T134 K141R133-V137 WeakPolarHBondContact O-CG2 3.44Å; T134-V137 PolarHBondContact O-N 2.81Å; V137-K141 VanDerWaalsContact O-CB 3.27Å; V137-K141 WeakPolarHBondContact O-CB 3.4Å; V137-K141 PolarHBondContact O-N 2.88Å
138F62.3Low62.7Low2 Ų260.8 Ų60.81%0.00928%0.282CS..Hα-helixtrans-72-33176.5-62.4-51.8000113T134 A135 W136 Y142 V152 F153 I162 L163 L166T134-F138 WeakPolarHBondContact O-CD2 3.4Å; T134-F138 WeakPolarHBondContact O-CG 3.38Å; T134-F138 PolarHBondContact O-N 3.1Å; T134-F138 VanDerWaalsContact O-N 3.16Å; A135-F138 PolarHBondContact O-N 3.32Å; W136-F138 VanDerWaalsContact C-N 3.27Å; W136-F138 PolarHBondContact O-N 3.2Å; F138-Y142 WeakPolarHBondContact O-CD2 3.5Å; F138-Y142 PolarHBondContact O-N 3.3Å; F138-V152 HydrophobicContact CB-CG2 4.44Å; F138-V152 HydrophobicContact CD1-CB 4.13Å; F138-V152 HydrophobicContact CD1-CG1 3.54Å; F138-V152 HydrophobicContact CD1-CG2 3.99Å; F138-V152 HydrophobicContact CD2-CG1 4.41Å; F138-V152 HydrophobicContact CE1-CG1 3.48Å; F138-V152 VanDerWaalsContact CE1-CG1 3.48Å; F138-V152 HydrophobicContact CE2-CG1 4.37Å; F138-V152 HydrophobicContact CG-CB 4.32Å; F138-V152 HydrophobicContact CG-CG1 4.02Å; F138-V152 HydrophobicContact CG-CG2 4.39Å; F138-V152 HydrophobicContact CZ-CG1 3.91Å; F138-F153 HydrophobicContact CD2-CE2 4.13Å; F138-F153 HydrophobicContact CE2-CE2 4.18Å; F138-I162 HydrophobicContact CE1-CG2 4.24Å; F138-L163 HydrophobicContact CZ-CD2 4.28Å; F138-L166 HydrophobicContact CE1-CD1 3.7Å; F138-L166 HydrophobicContact CE2-CD1 4.19Å; F138-L166 HydrophobicContact CE2-CD2 3.92Å; F138-L166 HydrophobicContact CZ-CD1 3.38Å; F138-L166 HydrophobicContact CZ-CD2 3.84Å; F138-L166 HydrophobicContact CZ-CG 4.27Å
139D61.7Low62.5Low24 Ų2457.4 Ų57.413%0.12827%0.268CS..Hα-helixtrans-64.5-44.4173.7-146.1-102.6000111.6A135 W136 K143 P145 G146A135-D139 PolarHBondContact O-N 2.84Å; W136-D139 PolarHBondContact O-N 2.84Å; D139-K143 PolarHBondContact O-N 3.46Å; D139-P145 WeakPolarHBondContact OD1-CA 3.34Å; D139-P145 WeakPolarHBondContact OD2-CA 3.39Å; D139-G146 PolarHBondContact OD2-N 2.77Å; D139-G146 VanDerWaalsContact OD2-N 3.07Å
140E59.4Low62.5Low136 Ų13658.7 Ų58.764%0.63627%0.267SS*.Hα-helixtrans-68.9-41.8179.4-166.4175.397.900112.1W136 Y142W136-E140 WeakPolarHBondContact O-CB 3.15Å; W136-E140 PolarHBondContact O-N 2.89Å; E140-Y142 VanDerWaalsContact C-N 3.32Å; E140-Y142 PolarHBondContact O-N 3.02Å
141K60.3Low62.4Low123 Ų12362.3 Ų62.354%0.53529%0.286SS..Hα-helixtrans-64-35.3179.4-171.5171.8-175.81770112.7V137V137-K141 VanDerWaalsContact O-CB 3.27Å; V137-K141 WeakPolarHBondContact O-CB 3.4Å; V137-K141 PolarHBondContact O-N 2.88Å
142Y57.7Low62.3Low75 Ų7562.1 Ų62.129%0.29429%0.285SS..Hα-helixtrans-100.9-5.3-176.6-76.4-90.1000114.3F138 E140 R144 V152 Q155F138-Y142 WeakPolarHBondContact O-CD2 3.5Å; F138-Y142 PolarHBondContact O-N 3.3Å; E140-Y142 VanDerWaalsContact C-N 3.32Å; E140-Y142 PolarHBondContact O-N 3.02Å; Y142-R144 WeakPolarHBondContact O-CG 3.48Å; Y142-R144 PolarHBondContact O-N 3.43Å; Y142-V152 HydrophobicContact CD2-CG2 3.52Å; Y142-V152 HydrophobicContact CE1-CG2 4.48Å; Y142-V152 HydrophobicContact CE2-CB 4.47Å; Y142-V152 HydrophobicContact CE2-CG2 2.96Å; Y142-V152 HydrophobicContact CG-CG2 4.47Å; Y142-Q155 PolarHBondContact OH-OE1 3.33Å
143K53.5Low62.4Low189 Ų18959.2 Ų59.282%0.82227%0.267SS*.THydrogen-bonded Turntrans45.631.6-178.7-65.5-171.3176.2-174.50113.3D139D139-K143 PolarHBondContact O-N 3.46Å
144R59.5Low62.5Low171 Ų17159.9 Ų59.965%0.64527%0.274SS*.SBendtrans-136.696.2-179-75.5-171.6-179.7174.52.4108.7Y142 G146 Y147 G148Y142-R144 WeakPolarHBondContact O-CG 3.48Å; Y142-R144 PolarHBondContact O-N 3.43Å; R144-G146 PolarHBondContact O-N 3.04Å; R144-G146 VanDerWaalsContact O-N 3.13Å; R144-Y147 PolarHBondContact O-N 2.99Å; R144-G148 PolarHBondContact O-N 3.23Å; R144-G148 VanDerWaalsContact O-N 3.13Å
145P54.5Low62.6Low61 Ų6163.8 Ų63.840%0.39629%0.292SS..THydrogen-bonded Turntrans-57.4119.9-176.919.2-29.8000111.1Y9 K101 D139 Y147Y9-P145 HydrophobicContact CD1-CB 4.18Å; Y9-P145 HydrophobicContact CE1-CB 4.08Å; K101-P145 VanDerWaalsContact CE-O 3.29Å; K101-P145 WeakPolarHBondContact CE-O 3.47Å; D139-P145 WeakPolarHBondContact OD1-CA 3.34Å; D139-P145 WeakPolarHBondContact OD2-CA 3.39Å; P145-Y147 VanDerWaalsContact C-N 3.29Å; P145-Y147 PolarHBondContact O-N 3Å
146G54.2Low62.7Low3 Ų363.9 Ų63.93%0.03129%0.292CS..THydrogen-bonded Turntrans82.3-26.1176.300000116.8S105 D139 R144S105-G146 WeakPolarHBondContact OG-CA 3.33Å; D139-G146 PolarHBondContact OD2-N 2.77Å; D139-G146 VanDerWaalsContact OD2-N 3.07Å; R144-G146 PolarHBondContact O-N 3.04Å; R144-G146 VanDerWaalsContact O-N 3.13Å
147Y59.9Low62.6Low77 Ų7764.8 Ų64.830%0.30230%0.301SS..Hα-helixtrans-81.1-38173.2-79.4-86.6000112.2K97 D100 K101 K104 R144 P145 Y150 D151K97-Y147 PolarHBondContact O-OH 2.81Å; D100-Y147 VanDerWaalsContact OD1-CE1 3.24Å; D100-Y147 WeakPolarHBondContact OD1-CE1 3.24Å; D100-Y147 PolarHBondContact OD1-OH 3.28Å; K101-Y147 HydrophobicContact CB-CE2 4.01Å; K101-Y147 HydrophobicContact CG-CE2 4.36Å; K104-Y147 HydrophobicContact CD-CD1 4.25Å; K104-Y147 HydrophobicContact CD-CE1 4.2Å; R144-Y147 PolarHBondContact O-N 2.99Å; P145-Y147 VanDerWaalsContact C-N 3.29Å; P145-Y147 PolarHBondContact O-N 3Å; Y147-Y150 PolarHBondContact O-N 2.94Å; Y147-D151 WeakPolarHBondContact O-CB 3.34Å; Y147-D151 PolarHBondContact O-N 3.12Å; Y147-D151 VanDerWaalsContact O-N 3.13Å
148G58.5Low62.7Low2 Ų265.9 Ų65.92%0.02132%0.316CS..Hα-helixtrans-63-43.8-176.500000112.9R144 D151 V152R144-G148 PolarHBondContact O-N 3.23Å; R144-G148 VanDerWaalsContact O-N 3.13Å; G148-D151 PolarHBondContact O-N 2.56Å; G148-V152 WeakPolarHBondContact O-CB 3.47Å; G148-V152 WeakPolarHBondContact O-CG2 3.5Å; G148-V152 PolarHBondContact O-N 3.17Å
149A63.3Low62.8Low8 Ų869.3 Ų69.37%0.06634%0.335CS..Hα-helixtrans-63.4-46179.800000112.1V108 V152 F153V108-A149 HydrophobicContact CG1-CB 4.32Å; V108-A149 HydrophobicContact CG2-CB 4.3Å; A149-V152 PolarHBondContact O-N 3.04Å; A149-F153 WeakPolarHBondContact O-CB 3.35Å; A149-F153 WeakPolarHBondContact O-CD2 3.48Å; A149-F153 PolarHBondContact O-N 3.32Å
150Y67.3Low62.9Low69 Ų6972 Ų7227%0.27135%0.353SS..Hα-helixtrans-67-40.9-180-177.1-91.8000112.8K104 T107 Y147 F153 K154 L184K104-Y150 HydrophobicContact CB-CD2 4.18Å; K104-Y150 HydrophobicContact CB-CG 4.01Å; K104-Y150 HydrophobicContact CD-CD1 4.15Å; K104-Y150 HydrophobicContact CD-CG 4.28Å; K104-Y150 HydrophobicContact CG-CD1 4.09Å; K104-Y150 HydrophobicContact CG-CD2 4.15Å; K104-Y150 HydrophobicContact CG-CG 3.88Å; T107-Y150 HydrophobicContact CG2-CE2 4.38Å; Y147-Y150 PolarHBondContact O-N 2.94Å; Y150-F153 PolarHBondContact O-N 3.18Å; Y150-K154 PolarHBondContact O-N 2.91Å; Y150-L184 HydrophobicContact CE2-CD1 4.12Å; Y150-L184 HydrophobicContact CE2-CD2 4.28Å; Y150-L184 HydrophobicContact CE2-CG 4.42Å
151D68.6Low63Low85 Ų8568.3 Ų68.346%0.45535%0.346SS..Hα-helixtrans-65.3-41.3179.4-160.7-114.9000111.3Y147 G148 F153 K154 Q155Y147-D151 WeakPolarHBondContact O-CB 3.34Å; Y147-D151 PolarHBondContact O-N 3.12Å; Y147-D151 VanDerWaalsContact O-N 3.13Å; G148-D151 PolarHBondContact O-N 2.56Å; D151-F153 PolarHBondContact O-N 2.78Å; D151-K154 WeakPolarHBondContact O-CB 3.38Å; D151-K154 PolarHBondContact O-N 2.7Å; D151-Q155 WeakPolarHBondContact O-CB 3.45Å; D151-Q155 PolarHBondContact O-N 2.99Å
152V67.9Low63.1Low0 Ų063.4 Ų63.40%033%0.326CS..Hα-helixtrans-63.2-42172.2173.70000111.9F138 Y142 G148 A149 K154 Q155 A156 I162F138-V152 HydrophobicContact CB-CG2 4.44Å; F138-V152 HydrophobicContact CD1-CB 4.13Å; F138-V152 HydrophobicContact CD1-CG1 3.54Å; F138-V152 HydrophobicContact CD1-CG2 3.99Å; F138-V152 HydrophobicContact CD2-CG1 4.41Å; F138-V152 HydrophobicContact CE1-CG1 3.48Å; F138-V152 VanDerWaalsContact CE1-CG1 3.48Å; F138-V152 HydrophobicContact CE2-CG1 4.37Å; F138-V152 HydrophobicContact CG-CB 4.32Å; F138-V152 HydrophobicContact CG-CG1 4.02Å; F138-V152 HydrophobicContact CG-CG2 4.39Å; F138-V152 HydrophobicContact CZ-CG1 3.91Å; Y142-V152 HydrophobicContact CD2-CG2 3.52Å; Y142-V152 HydrophobicContact CE1-CG2 4.48Å; Y142-V152 HydrophobicContact CE2-CB 4.47Å; Y142-V152 HydrophobicContact CE2-CG2 2.96Å; Y142-V152 HydrophobicContact CG-CG2 4.47Å; G148-V152 WeakPolarHBondContact O-CB 3.47Å; G148-V152 WeakPolarHBondContact O-CG2 3.5Å; G148-V152 PolarHBondContact O-N 3.17Å; A149-V152 PolarHBondContact O-N 3.04Å; V152-K154 PolarHBondContact O-N 2.95Å; V152-Q155 CarbonylContact O-C 3.52Å; V152-Q155 PolarHBondContact O-N 3.26Å; V152-A156 WeakPolarHBondContact O-CB 3.49Å; V152-A156 PolarHBondContact O-N 3.13Å; V152-I162 HydrophobicContact CG1-CG2 3.75Å
153F69.1Low63.2Low1 Ų159.9 Ų59.90%0.00431%0.312CS..Hα-helixtrans-64-34.4178.1-87.3-120.7000111.5V108 I111 L112 F138 A149 Y150 D151 V157 L176 I180 L184V108-F153 HydrophobicContact CG1-CE2 4.29Å; V108-F153 HydrophobicContact CG1-CZ 4.19Å; I111-F153 HydrophobicContact CD1-CD1 4.37Å; I111-F153 HydrophobicContact CG2-CE1 4.21Å; L112-F153 HydrophobicContact CD1-CE1 3.98Å; L112-F153 HydrophobicContact CD1-CZ 3.68Å; F138-F153 HydrophobicContact CD2-CE2 4.13Å; F138-F153 HydrophobicContact CE2-CE2 4.18Å; A149-F153 WeakPolarHBondContact O-CB 3.35Å; A149-F153 WeakPolarHBondContact O-CD2 3.48Å; A149-F153 PolarHBondContact O-N 3.32Å; Y150-F153 PolarHBondContact O-N 3.18Å; D151-F153 PolarHBondContact O-N 2.78Å; F153-V157 PolarHBondContact O-N 3.07Å; F153-L176 HydrophobicContact CE1-CD1 4.11Å; F153-L176 HydrophobicContact CZ-CD1 4.4Å; F153-I180 HydrophobicContact CD1-CD1 3.43Å; F153-I180 VanDerWaalsContact CD1-CD1 3.43Å; F153-I180 HydrophobicContact CD1-CG1 3.57Å; F153-I180 HydrophobicContact CE1-CD1 3.52Å; F153-I180 HydrophobicContact CE1-CG1 3.78Å; F153-I180 HydrophobicContact CG-CD1 4.18Å; F153-I180 HydrophobicContact CZ-CD1 4.36Å; F153-L184 HydrophobicContact CB-CD2 3.78Å
154K69.9Low63.3Low132 Ų13256.6 Ų56.657%0.57430%0.304SS*.Hα-helixtrans-69.8-42.4172.5-170.1-176.2177.6-165.80111.6Y150 D151 V152 A156 V157Y150-K154 PolarHBondContact O-N 2.91Å; D151-K154 WeakPolarHBondContact O-CB 3.38Å; D151-K154 PolarHBondContact O-N 2.7Å; V152-K154 PolarHBondContact O-N 2.95Å; K154-A156 VanDerWaalsContact C-N 3.27Å; K154-A156 PolarHBondContact O-N 3.31Å; K154-V157 WeakPolarHBondContact O-CB 3.49Å; K154-V157 PolarHBondContact O-N 3.13Å
155Q67.5Low62.9Low84 Ų8453.3 Ų53.339%0.39331%0.306SS..Hα-helixtrans-68.4-29.4176.4-159.4178.80.900111.7Y142 D151 V152 V157 A158 D159 I162Y142-Q155 PolarHBondContact OH-OE1 3.33Å; D151-Q155 WeakPolarHBondContact O-CB 3.45Å; D151-Q155 PolarHBondContact O-N 2.99Å; V152-Q155 CarbonylContact O-C 3.52Å; V152-Q155 PolarHBondContact O-N 3.26Å; Q155-V157 VanDerWaalsContact C-N 3.26Å; Q155-V157 PolarHBondContact O-N 3.47Å; Q155-A158 CarbonylContact O-C 3.5Å; Q155-A158 PolarHBondContact O-N 3.19Å; Q155-D159 PolarHBondContact O-N 3.07Å; Q155-I162 HydrophobicContact CB-CD1 3.81Å; Q155-I162 HydrophobicContact CG-CD1 3.4Å
156A67.9Low63.1Low8 Ų851.3 Ų51.37%0.06629%0.292CS..Hα-helixtrans-68.1-24176.400000113.1V152 K154 D159 L163V152-A156 WeakPolarHBondContact O-CB 3.49Å; V152-A156 PolarHBondContact O-N 3.13Å; K154-A156 VanDerWaalsContact C-N 3.27Å; K154-A156 PolarHBondContact O-N 3.31Å; A156-D159 WeakPolarHBondContact CA-O 3.42Å; A156-L163 HydrophobicContact CB-CD1 3.85Å; A156-L163 HydrophobicContact CB-CG 4.06Å
157V67.9Low62.9Low47 Ų4758.3 Ų58.329%0.28533%0.328SS..Hα-helixtrans-69.6-36168.8176.60000110.8F153 K154 Q155 I180 L184F153-V157 PolarHBondContact O-N 3.07Å; K154-V157 WeakPolarHBondContact O-CB 3.49Å; K154-V157 PolarHBondContact O-N 3.13Å; Q155-V157 VanDerWaalsContact C-N 3.26Å; Q155-V157 PolarHBondContact O-N 3.47Å; V157-I180 HydrophobicContact CG2-CG2 3.53Å; V157-L184 HydrophobicContact CG2-CB 4.39Å
158A66.8Low63Low86 Ų8656 Ų5671%0.71132%0.321SS*.Hα-helixtrans-85.2-35.5-178.800000113Q155Q155-A158 CarbonylContact O-C 3.5Å; Q155-A158 PolarHBondContact O-N 3.19Å
159D63.3Low63.3Low75 Ų7559.5 Ų59.540%0.40134%0.342SS..  trans-138104.2-178-169.8-89.7000110.8Q155 A156 A161Q155-D159 PolarHBondContact O-N 3.07Å; A156-D159 WeakPolarHBondContact CA-O 3.42Å; D159-A161 PolarHBondContact O-N 3.13Å; D159-A161 WeakPolarHBondContact OD1-CB 3.5Å; D159-A161 PolarHBondContact OD1-N 3.48Å; D159-A161 VanDerWaalsContact OD1-N 3.09Å
160P64.1Low63.5Low79 Ų7967.3 Ų67.351%0.51338%0.377SS..G310 helixtrans-72.4-3.1-179.627.5-33.5000114L163P160-L163 PolarHBondContact O-N 2.83Å
161A61.1Low63.6Low59 Ų5971 Ų7149%0.48840%0.397SS..G310 helixtrans-77.7-20.9-178.200000112.9D159 L163 D164D159-A161 PolarHBondContact O-N 3.13Å; D159-A161 WeakPolarHBondContact OD1-CB 3.5Å; D159-A161 PolarHBondContact OD1-N 3.48Å; D159-A161 VanDerWaalsContact OD1-N 3.09Å; A161-L163 PolarHBondContact O-N 3.49Å; A161-D164 VanDerWaalsContact O-CB 3.28Å; A161-D164 WeakPolarHBondContact O-CB 3.27Å; A161-D164 PolarHBondContact O-N 3.23Å
162I62.6Low63.7Low20 Ų2067.8 Ų67.810%0.10338%0.379CS..G310 helixtrans-65.2-26.4175.6-57.4170.2000111.5F138 V152 Q155 D164F138-I162 HydrophobicContact CE1-CG2 4.24Å; V152-I162 HydrophobicContact CG1-CG2 3.75Å; Q155-I162 HydrophobicContact CB-CD1 3.81Å; Q155-I162 HydrophobicContact CG-CD1 3.4Å; I162-D164 VanDerWaalsContact C-N 3.3Å
163L60Low63.7Low2 Ų269.5 Ų69.51%0.0139%0.386CS..G310 helixtrans-82.7-3.9175.1-68.5164.8000113F138 A156 P160 A161 K173 L176 I177F138-L163 HydrophobicContact CZ-CD2 4.28Å; A156-L163 HydrophobicContact CB-CD1 3.85Å; A156-L163 HydrophobicContact CB-CG 4.06Å; P160-L163 PolarHBondContact O-N 2.83Å; A161-L163 PolarHBondContact O-N 3.49Å; L163-K173 HydrophobicContact CB-CD 4.47Å; L163-K173 PolarHBondContact O-NZ 3.19Å; L163-L176 HydrophobicContact CD2-CD2 4.14Å; L163-I177 HydrophobicContact CD1-CD1 3.91Å; L163-I177 HydrophobicContact CD1-CG1 3.56Å
164D56Low64Low120 Ų12072.2 Ų72.264%0.64241%0.409SS*.THydrogen-bonded Turntrans-86.5-20.6179.7-142.7-110.1000113A161 I162 L166 K173A161-D164 VanDerWaalsContact O-CB 3.28Å; A161-D164 WeakPolarHBondContact O-CB 3.27Å; A161-D164 PolarHBondContact O-N 3.23Å; I162-D164 VanDerWaalsContact C-N 3.3Å; D164-L166 PolarHBondContact O-N 2.95Å; D164-K173 VanDerWaalsContact CA-NZ 3.35Å; D164-K173 IonicContact OD2-NZ 2.68Å; D164-K173 PolarHBondContact OD2-NZ 3.49Å
165C51.3Low64.4Low102 Ų10267.7 Ų67.769%0.68939%0.392SS*.THydrogen-bonded Turntrans-75.45.7170.8-61.80000113.7
166L57.2Low64.8Low19 Ų1964 Ų6410%0.09938%0.375CS..SBendtrans-103.7129.8-179-96.274.4000111.3R133 T134 F138 D164 L168R133-L166 WeakPolarHBondContact O-CD2 3.41Å; R133-L166 WeakPolarHBondContact O-CG 3.3Å; T134-L166 HydrophobicContact CG2-CD2 3.53Å; F138-L166 HydrophobicContact CE1-CD1 3.7Å; F138-L166 HydrophobicContact CE2-CD1 4.19Å; F138-L166 HydrophobicContact CE2-CD2 3.92Å; F138-L166 HydrophobicContact CZ-CD1 3.38Å; F138-L166 HydrophobicContact CZ-CD2 3.84Å; F138-L166 HydrophobicContact CZ-CG 4.27Å; D164-L166 PolarHBondContact O-N 2.95Å; L166-L168 HydrophobicContact CB-CD1 4.03Å; L166-L168 HydrophobicContact CB-CG 4.14Å; L166-L168 HydrophobicContact CD2-CD1 3.55Å; L166-L168 HydrophobicContact CD2-CG 4.18Å; L166-L168 HydrophobicContact CG-CD1 4.44Å; L166-L168 PolarHBondContact O-N 3.25Å
167D51.6Low65.2Low150 Ų15065.7 Ų65.780%0.80238%0.383SS*.  trans-70.668.8167.7-107.3-92.5000110.4
168L61.1Low65.8Low28 Ų2866.6 Ų66.615%0.14739%0.386CS..  trans-117.1148.5174.4-73.5169.9000110.3L130 T134 L166 E172L130-L168 HydrophobicContact CD1-CD2 3.79Å; T134-L168 HydrophobicContact CG2-CD1 3.69Å; T134-L168 HydrophobicContact CG2-CD2 4.12Å; T134-L168 HydrophobicContact CG2-CG 4.35Å; L166-L168 HydrophobicContact CB-CD1 4.03Å; L166-L168 HydrophobicContact CB-CG 4.14Å; L166-L168 HydrophobicContact CD2-CD1 3.55Å; L166-L168 HydrophobicContact CD2-CG 4.18Å; L166-L168 HydrophobicContact CG-CD1 4.44Å; L166-L168 PolarHBondContact O-N 3.25Å; L168-E172 HydrophobicContact CD2-CB 4.45Å
169T65.8Low66.2Low75 Ų7563 Ų6346%0.4636%0.355SS..  trans-63.3139.9170.5-40.10000108.7E171 E172 K173T169-E171 HydrophobicContact CG2-CB 4.46Å; T169-E171 PolarHBondContact O-N 2.89Å; T169-E171 VanDerWaalsContact O-N 3.08Å; T169-E172 WeakPolarHBondContact CB-OE2 3.31Å; T169-E172 PolarHBondContact N-OE2 3.01Å; T169-E172 WeakPolarHBondContact O-CB 3.32Å; T169-E172 PolarHBondContact O-N 3.4Å; T169-E172 PolarHBondContact OG1-OE2 3.09Å; T169-K173 PolarHBondContact O-N 2.7Å; T169-K173 VanDerWaalsContact O-N 3.09Å
170E66.4Low66.9Low173 Ų17359.5 Ų59.581%0.80834%0.336SS*.Hα-helixtrans-55.7-30.9-177.9-148.817296.300112.2A174E170-A174 PolarHBondContact O-N 3.03Å
171E68.6Low67.4Low146 Ų14658.6 Ų58.668%0.68233%0.327SS*.Hα-helixtrans-67.4-43173.9-59.8-17689.100113.1T169 K173 A174 V175T169-E171 HydrophobicContact CG2-CB 4.46Å; T169-E171 PolarHBondContact O-N 2.89Å; T169-E171 VanDerWaalsContact O-N 3.08Å; E171-K173 VanDerWaalsContact C-N 3.32Å; E171-K173 PolarHBondContact O-N 2.89Å; E171-A174 PolarHBondContact O-N 2.93Å; E171-V175 WeakPolarHBondContact O-CG2 3.03Å; E171-V175 PolarHBondContact O-N 3.35Å; E171-V175 VanDerWaalsContact O-N 3.13Å
172E71.1Confident68Low17 Ų1764.9 Ų64.98%0.07934%0.338CS..Hα-helixtrans-64.5-40.9176.9-63.1171.811100110.5L119 Y121 L168 T169 L176L119-E172 HydrophobicContact CD1-CB 4.41Å; L119-E172 HydrophobicContact CD1-CG 3.98Å; Y121-E172 PolarHBondContact OH-OE1 2.87Å; L168-E172 HydrophobicContact CD2-CB 4.45Å; T169-E172 WeakPolarHBondContact CB-OE2 3.31Å; T169-E172 PolarHBondContact N-OE2 3.01Å; T169-E172 WeakPolarHBondContact O-CB 3.32Å; T169-E172 PolarHBondContact O-N 3.4Å; T169-E172 PolarHBondContact OG1-OE2 3.09Å; E172-L176 WeakPolarHBondContact O-CB 3.45Å; E172-L176 PolarHBondContact O-N 3.44Å
173K69.2Low68.3Low36 Ų3671.2 Ų71.216%0.15736%0.361CS..Hα-helixtrans-65.1-43.2179.1-176.1172.6173.9170.60111.7L163 D164 T169 E171 L176 I177L163-K173 HydrophobicContact CB-CD 4.47Å; L163-K173 PolarHBondContact O-NZ 3.19Å; D164-K173 VanDerWaalsContact CA-NZ 3.35Å; D164-K173 IonicContact OD2-NZ 2.68Å; D164-K173 PolarHBondContact OD2-NZ 3.49Å; T169-K173 PolarHBondContact O-N 2.7Å; T169-K173 VanDerWaalsContact O-N 3.09Å; E171-K173 VanDerWaalsContact C-N 3.32Å; E171-K173 PolarHBondContact O-N 2.89Å; K173-L176 PolarHBondContact O-N 2.82Å; K173-I177 HydrophobicContact CG-CD1 3.9Å; K173-I177 WeakPolarHBondContact O-CB 3.29Å; K173-I177 VanDerWaalsContact O-CG1 3.25Å; K173-I177 WeakPolarHBondContact O-CG1 3.2Å; K173-I177 PolarHBondContact O-N 2.79Å
174A73.8Confident68.7Low59 Ų5972.1 Ų72.149%0.48837%0.365SS..Hα-helixtrans-63.8-45.9177.800000112E170 E171 L176 I177 D178E170-A174 PolarHBondContact O-N 3.03Å; E171-A174 PolarHBondContact O-N 2.93Å; A174-L176 VanDerWaalsContact C-N 3.33Å; A174-L176 PolarHBondContact O-N 2.9Å; A174-I177 PolarHBondContact O-N 2.87Å; A174-D178 PolarHBondContact O-N 2.97Å
175V78.7Confident69Low36 Ų3669.6 Ų69.622%0.21835%0.354CS..Hα-helixtrans-66.2-37.6177.9175.60000111.1V115 V118 E171 N179V115-V175 HydrophobicContact CG1-CG1 4.22Å; V115-V175 HydrophobicContact CG2-CG1 4.36Å; V118-V175 HydrophobicContact CB-CG1 4.26Å; V118-V175 HydrophobicContact CG1-CG1 3.88Å; E171-V175 WeakPolarHBondContact O-CG2 3.03Å; E171-V175 PolarHBondContact O-N 3.35Å; E171-V175 VanDerWaalsContact O-N 3.13Å; V175-N179 WeakPolarHBondContact O-CB 3.48Å; V175-N179 PolarHBondContact O-N 3.36Å; V175-N179 PolarHBondContact O-ND2 3.34Å
176L76.8Confident69.5Low6 Ų667.7 Ų67.73%0.03134%0.341CS..Hα-helixtrans-63.7-48.1174.9-175.267.4000110.8I111 V115 F153 L163 E172 K173 A174 D178 N179 I180I111-L176 HydrophobicContact CG2-CD1 4.18Å; V115-L176 HydrophobicContact CG2-CB 4.5Å; V115-L176 HydrophobicContact CG2-CD1 3.91Å; F153-L176 HydrophobicContact CE1-CD1 4.11Å; F153-L176 HydrophobicContact CZ-CD1 4.4Å; L163-L176 HydrophobicContact CD2-CD2 4.14Å; E172-L176 WeakPolarHBondContact O-CB 3.45Å; E172-L176 PolarHBondContact O-N 3.44Å; K173-L176 PolarHBondContact O-N 2.82Å; A174-L176 VanDerWaalsContact C-N 3.33Å; A174-L176 PolarHBondContact O-N 2.9Å; L176-D178 PolarHBondContact O-N 3.48Å; L176-N179 PolarHBondContact O-N 3.45Å; L176-I180 HydrophobicContact CD1-CD1 4.09Å; L176-I180 HydrophobicContact CD1-CG1 4.32Å; L176-I180 HydrophobicContact CD2-CD1 4.34Å; L176-I180 HydrophobicContact CG-CD1 3.72Å; L176-I180 HydrophobicContact CG-CG1 4.31Å; L176-I180 WeakPolarHBondContact O-CB 3.48Å; L176-I180 WeakPolarHBondContact O-CG1 3.5Å; L176-I180 PolarHBondContact O-N 3.19Å
177I77Confident69.7Low45 Ų4575.1 Ų75.123%0.23138%0.375CS..Hα-helixtrans-62.1-43.2178.4-69.7167.3000111.5L163 K173 A174 N179 I180 N181L163-I177 HydrophobicContact CD1-CD1 3.91Å; L163-I177 HydrophobicContact CD1-CG1 3.56Å; K173-I177 HydrophobicContact CG-CD1 3.9Å; K173-I177 WeakPolarHBondContact O-CB 3.29Å; K173-I177 VanDerWaalsContact O-CG1 3.25Å; K173-I177 WeakPolarHBondContact O-CG1 3.2Å; K173-I177 PolarHBondContact O-N 2.79Å; A174-I177 PolarHBondContact O-N 2.87Å; I177-N179 PolarHBondContact O-N 3.02Å; I177-I180 PolarHBondContact O-N 3.42Å; I177-N181 WeakPolarHBondContact CG2-ND2 3.48Å; I177-N181 WeakPolarHBondContact O-CB 3.18Å; I177-N181 PolarHBondContact O-N 3.09Å; I177-N181 PolarHBondContact O-ND2 3.25Å
178D79Confident70.5Confident66 Ų6670.5 Ų70.535%0.35336%0.358SS..Hα-helixtrans-61.6-43.5175.8174.7-94.9000111.3A174 L176 N181 R182A174-D178 PolarHBondContact O-N 2.97Å; L176-D178 PolarHBondContact O-N 3.48Å; D178-N181 PolarHBondContact O-N 2.91Å; D178-R182 VanDerWaalsContact CG-NE 3.33Å; D178-R182 WeakPolarHBondContact O-CB 3.43Å; D178-R182 VanDerWaalsContact O-CG 3.28Å; D178-R182 WeakPolarHBondContact O-CG 3.44Å; D178-R182 PolarHBondContact O-N 2.85Å; D178-R182 WeakPolarHBondContact OD1-CD 3.27Å; D178-R182 IonicContact OD1-CZ 3.16Å; D178-R182 IonicContact OD1-NE 2.88Å; D178-R182 PolarHBondContact OD1-NE 2.91Å; D178-R182 IonicContact OD1-NH2 3.23Å; D178-R182 PolarHBondContact OD1-NH2 2.85Å; D178-R182 IonicContact OD2-CZ 3.47Å; D178-R182 IonicContact OD2-NE 3.05Å; D178-R182 PolarHBondContact OD2-NE 2.81Å; D178-R182 IonicContact OD2-NH2 3.05Å; D178-R182 PolarHBondContact OD2-NH2 3.4Å
179N76.5Confident71.2Confident9 Ų970.5 Ų70.55%0.04836%0.359CS..Hα-helixtrans-68.1-39.8177.8-85.3-84000112.9I111 H114 V115 V175 L176 I177 R182 R183I111-N179 HydrophobicContact CG2-CB 4.21Å; H114-N179 PolarHBondContact CE1-OD1 3.09Å; H114-N179 PolarHBondContact ND1-OD1 2.89Å; V115-N179 HydrophobicContact CG2-CB 3.97Å; V175-N179 WeakPolarHBondContact O-CB 3.48Å; V175-N179 PolarHBondContact O-N 3.36Å; V175-N179 PolarHBondContact O-ND2 3.34Å; L176-N179 PolarHBondContact O-N 3.45Å; I177-N179 PolarHBondContact O-N 3.02Å; N179-R182 PolarHBondContact O-N 3.23Å; N179-R183 VanDerWaalsContact O-CB 3.28Å; N179-R183 WeakPolarHBondContact O-CB 3.36Å; N179-R183 WeakPolarHBondContact O-CG 3.35Å; N179-R183 PolarHBondContact O-N 3Å
180I77.1Confident71.6Confident3 Ų370.3 Ų70.32%0.01535%0.352CS..Hα-helixtrans-63.1-47.5174.6-66.5171.6000109.1I111 F153 V157 L176 I177 R182 R183 L184I111-I180 HydrophobicContact CG2-CG1 4.13Å; F153-I180 HydrophobicContact CD1-CD1 3.43Å; F153-I180 VanDerWaalsContact CD1-CD1 3.43Å; F153-I180 HydrophobicContact CD1-CG1 3.57Å; F153-I180 HydrophobicContact CE1-CD1 3.52Å; F153-I180 HydrophobicContact CE1-CG1 3.78Å; F153-I180 HydrophobicContact CG-CD1 4.18Å; F153-I180 HydrophobicContact CZ-CD1 4.36Å; V157-I180 HydrophobicContact CG2-CG2 3.53Å; L176-I180 HydrophobicContact CD1-CD1 4.09Å; L176-I180 HydrophobicContact CD1-CG1 4.32Å; L176-I180 HydrophobicContact CD2-CD1 4.34Å; L176-I180 HydrophobicContact CG-CD1 3.72Å; L176-I180 HydrophobicContact CG-CG1 4.31Å; L176-I180 WeakPolarHBondContact O-CB 3.48Å; L176-I180 WeakPolarHBondContact O-CG1 3.5Å; L176-I180 PolarHBondContact O-N 3.19Å; I177-I180 PolarHBondContact O-N 3.42Å; I180-R182 PolarHBondContact O-N 3.46Å; I180-R183 PolarHBondContact O-N 2.97Å; I180-L184 HydrophobicContact CG2-CB 4.1Å; I180-L184 HydrophobicContact CG2-CD2 4.37Å; I180-L184 WeakPolarHBondContact O-CA 3.49Å; I180-L184 WeakPolarHBondContact O-CB 3.49Å; I180-L184 PolarHBondContact O-N 3.39Å
181N73.9Confident72.4Confident60 Ų6062.1 Ų62.132%0.32131%0.313SS..Hα-helixtrans-61.7-43.9177.1-78.6-32.4000111.4I177 D178 R183 T185I177-N181 WeakPolarHBondContact CG2-ND2 3.48Å; I177-N181 WeakPolarHBondContact O-CB 3.18Å; I177-N181 PolarHBondContact O-N 3.09Å; I177-N181 PolarHBondContact O-ND2 3.25Å; D178-N181 PolarHBondContact O-N 2.91Å; N181-R183 VanDerWaalsContact C-N 3.32Å; N181-R183 PolarHBondContact O-N 3.21Å; N181-T185 VanDerWaalsContact C-OG1 3.28Å; N181-T185 WeakPolarHBondContact CA-OG1 3.49Å; N181-T185 WeakPolarHBondContact O-CB 3.33Å; N181-T185 PolarHBondContact O-N 2.74Å; N181-T185 PolarHBondContact O-OG1 3.02Å
182R74.3Confident72.9Confident191 Ų19156.7 Ų56.772%0.72129%0.287SS*.Hα-helixtrans-64.6-33.9178.6-72.4177.7-169-159.59.3114D178 N179 I180D178-R182 VanDerWaalsContact CG-NE 3.33Å; D178-R182 WeakPolarHBondContact O-CB 3.43Å; D178-R182 VanDerWaalsContact O-CG 3.28Å; D178-R182 WeakPolarHBondContact O-CG 3.44Å; D178-R182 PolarHBondContact O-N 2.85Å; D178-R182 WeakPolarHBondContact OD1-CD 3.27Å; D178-R182 IonicContact OD1-CZ 3.16Å; D178-R182 IonicContact OD1-NE 2.88Å; D178-R182 PolarHBondContact OD1-NE 2.91Å; D178-R182 IonicContact OD1-NH2 3.23Å; D178-R182 PolarHBondContact OD1-NH2 2.85Å; D178-R182 IonicContact OD2-CZ 3.47Å; D178-R182 IonicContact OD2-NE 3.05Å; D178-R182 PolarHBondContact OD2-NE 2.81Å; D178-R182 IonicContact OD2-NH2 3.05Å; D178-R182 PolarHBondContact OD2-NH2 3.4Å; N179-R182 PolarHBondContact O-N 3.23Å; I180-R182 PolarHBondContact O-N 3.46Å
183R69.4Low73.5Confident153 Ų15355.9 Ų55.958%0.57728%0.283SS*.Hα-helixtrans-95.6-32.8-174-75.3-91.4-178.6-176.3-2.1113.9I111 N179 I180 N181I111-R183 HydrophobicContact CD1-CB 4.25Å; I111-R183 HydrophobicContact CG1-CB 4.18Å; I111-R183 HydrophobicContact CG1-CG 4.24Å; N179-R183 VanDerWaalsContact O-CB 3.28Å; N179-R183 WeakPolarHBondContact O-CB 3.36Å; N179-R183 WeakPolarHBondContact O-CG 3.35Å; N179-R183 PolarHBondContact O-N 3Å; I180-R183 PolarHBondContact O-N 2.97Å; N181-R183 VanDerWaalsContact C-N 3.32Å; N181-R183 PolarHBondContact O-N 3.21Å
184L67.5Low74.3Confident20 Ų2055.3 Ų55.311%0.10528%0.282CS..Hα-helixtrans-117.3-6.7-168.6-116.371.6000113.5T107 I111 Y150 F153 V157 I180 P186T107-L184 HydrophobicContact CG2-CD1 3.81Å; I111-L184 HydrophobicContact CD1-CD1 3.9Å; Y150-L184 HydrophobicContact CE2-CD1 4.12Å; Y150-L184 HydrophobicContact CE2-CD2 4.28Å; Y150-L184 HydrophobicContact CE2-CG 4.42Å; F153-L184 HydrophobicContact CB-CD2 3.78Å; V157-L184 HydrophobicContact CG2-CB 4.39Å; I180-L184 HydrophobicContact CG2-CB 4.1Å; I180-L184 HydrophobicContact CG2-CD2 4.37Å; I180-L184 WeakPolarHBondContact O-CA 3.49Å; I180-L184 WeakPolarHBondContact O-CB 3.49Å; I180-L184 PolarHBondContact O-N 3.39Å; L184-P186 WeakPolarHBondContact O-CD 3.27Å
185T62Low74.7Confident67 Ų6752.6 Ų52.641%0.41126%0.259SS..SBendtrans-56.9120.6171.6-65.80000107.5N181 Q187N181-T185 VanDerWaalsContact C-OG1 3.28Å; N181-T185 WeakPolarHBondContact CA-OG1 3.49Å; N181-T185 WeakPolarHBondContact O-CB 3.33Å; N181-T185 PolarHBondContact O-N 2.74Å; N181-T185 PolarHBondContact O-OG1 3.02Å; T185-Q187 PolarHBondContact O-N 3.38Å
186P62.9Low74.9Confident62 Ų6253 Ų5340%0.40326%0.258SS..  trans-56.8116176.322.4-30.9000107.4L184 A188 L242L184-P186 WeakPolarHBondContact O-CD 3.27Å; P186-A188 PolarHBondContact O-N 3.48Å; P186-L242 HydrophobicContact CG-CD2 4.46Å; P186-L242 WeakPolarHBondContact O-CD2 3.43Å
187Q62Low75Confident175 Ų17552.9 Ų52.982%0.81826%0.258SS*.PPolyproline II helixtrans-58.5129.6169.9-69.4-173.5-11.300107T185 V189T185-Q187 PolarHBondContact O-N 3.38Å; Q187-V189 WeakPolarHBondContact O-CG2 3.33Å; Q187-V189 PolarHBondContact O-N 2.98Å
188A67.4Low75.2Confident54 Ų5451.5 Ų51.545%0.44625%0.253SS..PPolyproline II helixtrans-56.9119.3-175.700000109P186 T240 T241 L242P186-A188 PolarHBondContact O-N 3.48Å; A188-T240 HydrophobicContact CB-CG2 3.44Å; A188-T240 VanDerWaalsContact CB-CG2 3.44Å; A188-T241 CarbonylContact C-O 3.53Å; A188-T241 WeakPolarHBondContact CA-O 3.49Å; A188-L242 HydrophobicContact CB-CD2 4.28Å
189V75.7Confident75.1Confident27 Ų2749.6 Ų49.616%0.16425%0.245CC..EExtended strand (participates in β ladder)trans-85.6124.1-176.4-178.80000107.4Q187 T241 V277Q187-V189 WeakPolarHBondContact O-CG2 3.33Å; Q187-V189 PolarHBondContact O-N 2.98Å; V189-T241 PolarHBondContact N-O 2.83Å; V189-T241 PolarHBondContact O-N 3.4Å; V189-V277 HydrophobicContact CG1-CB 4.02Å; V189-V277 HydrophobicContact CG1-CG1 3.17Å; V189-V277 HydrophobicContact CG1-CG2 3.81Å
190K75.3Confident75.2Confident72 Ų7258.6 Ų58.631%0.31328%0.28SS..EExtended strand (participates in β ladder)trans-78.7125.1171.1-64.7176.6-172.5163.30108.4T239 V278 E283K190-T239 CarbonylContact C-O 3.57Å; K190-T239 VanDerWaalsContact CA-O 3.3Å; K190-T239 WeakPolarHBondContact CA-O 3.28Å; K190-V278 HydrophobicContact CB-CB 4.29Å; K190-V278 PolarHBondContact O-N 3.21Å; K190-E283 IonicContact NZ-OE1 3.97Å; K190-E283 PolarHBondContact NZ-OE1 2.88Å; K190-E283 IonicContact NZ-OE2 3.01Å; K190-E283 PolarHBondContact NZ-OE2 3.4Å
191I82.9Confident75.1Confident0 Ų060.6 Ų60.60%030%0.301CS..EExtended strand (participates in β ladder)trans-107.7135171.7-55.6172.2000106.9T238 T239 T241 L248 L251 A275 K276 V277I191-T238 CarbonylContact O-C 3.46Å; I191-T238 WeakPolarHBondContact O-CA 3.24Å; I191-T239 HydrophobicContact CB-CG2 3.67Å; I191-T239 HydrophobicContact CD1-CG2 4.43Å; I191-T239 HydrophobicContact CG1-CG2 4.4Å; I191-T239 HydrophobicContact CG2-CG2 4.45Å; I191-T239 PolarHBondContact N-O 3.3Å; I191-T239 PolarHBondContact O-N 3.07Å; I191-T241 HydrophobicContact CD1-CG2 3.47Å; I191-T241 VanDerWaalsContact CD1-CG2 3.47Å; I191-T241 HydrophobicContact CG1-CG2 4.06Å; I191-L248 HydrophobicContact CD1-CG 4.3Å; I191-L248 HydrophobicContact CG2-CD2 4.07Å; I191-L251 HydrophobicContact CG2-CD2 3.92Å; I191-A275 HydrophobicContact CG2-CB 4.04Å; I191-K276 WeakPolarHBondContact CA-O 3.39Å; I191-V277 HydrophobicContact CG1-CG2 4.15Å
192R79.4Confident74.9Confident33 Ų3369.5 Ų69.513%0.12533%0.332CS..EExtended strand (participates in β ladder)trans-122.2146.2179.2175-178.5172.3-1773.5110D194 V236 M237 A275 K276 V278 L286R192-D194 IonicContact CZ-OD1 3.37Å; R192-D194 VanDerWaalsContact CZ-OD1 3.31Å; R192-D194 IonicContact CZ-OD2 3.32Å; R192-D194 IonicContact NE-OD1 3.28Å; R192-D194 PolarHBondContact NE-OD1 2.94Å; R192-D194 IonicContact NE-OD2 2.78Å; R192-D194 PolarHBondContact NE-OD2 3.37Å; R192-D194 IonicContact NH2-OD1 3.37Å; R192-D194 PolarHBondContact NH2-OD1 2.7Å; R192-D194 IonicContact NH2-OD2 2.56Å; R192-D194 PolarHBondContact NH2-OD2 3.46Å; R192-V236 HydrophobicContact CG-CG2 3.64Å; R192-V236 VanDerWaalsContact NE-CG2 3.27Å; R192-M237 CarbonylContact C-O 3.52Å; R192-M237 VanDerWaalsContact CA-O 3.26Å; R192-M237 WeakPolarHBondContact CA-O 3.43Å; R192-A275 CarbonylContact O-C 3.55Å; R192-A275 WeakPolarHBondContact O-CA 3.15Å; R192-K276 PolarHBondContact N-O 3.15Å; R192-K276 PolarHBondContact O-N 3.31Å; R192-V278 HydrophobicContact CB-CG2 3.17Å; R192-V278 HydrophobicContact CG-CG2 4.28Å; R192-L286 VanDerWaalsContact NH1-CD1 3.31Å; R192-L286 VanDerWaalsContact NH1-CD2 3.33Å
193A83.4Confident74.9Confident0 Ų067.7 Ų67.70%033%0.331CS..EExtended strand (participates in β ladder)trans-138154.5156.200000110.7M237 L251 M255 M273 A275A193-M237 HydrophobicContact CB-CE 3.2Å; A193-M237 HydrophobicContact CB-CG 4Å; A193-M237 HydrophobicContact CB-SD 4.49Å; A193-M237 PolarHBondContact N-O 3.46Å; A193-M237 WeakPolarHBondContact O-CG 3.25Å; A193-M237 PolarHBondContact O-N 3.43Å; A193-L251 HydrophobicContact CB-CD2 4.03Å; A193-M255 HydrophobicContact CB-SD 4.45Å; A193-M273 WeakPolarHBondContact CA-O 3.5Å; A193-M273 WeakPolarHBondContact CB-O 3.41Å; A193-A275 HydrophobicContact CB-CB 4.38Å
194D84.4Confident75.1Confident24 Ų2460.8 Ų60.813%0.12831%0.308CS..EExtended strand (participates in β ladder)trans-110.9117.4178.1-58.8-63.6000108.5R192 V236 Q272 M273R192-D194 IonicContact CZ-OD1 3.37Å; R192-D194 VanDerWaalsContact CZ-OD1 3.31Å; R192-D194 IonicContact CZ-OD2 3.32Å; R192-D194 IonicContact NE-OD1 3.28Å; R192-D194 PolarHBondContact NE-OD1 2.94Å; R192-D194 IonicContact NE-OD2 2.78Å; R192-D194 PolarHBondContact NE-OD2 3.37Å; R192-D194 IonicContact NH2-OD1 3.37Å; R192-D194 PolarHBondContact NH2-OD1 2.7Å; R192-D194 IonicContact NH2-OD2 2.56Å; R192-D194 PolarHBondContact NH2-OD2 3.46Å; D194-V236 WeakPolarHBondContact OD1-CG2 2.92Å; D194-Q272 HydrophobicContact CB-CB 4.26Å; D194-Q272 PolarHBondContact O-N 3.05Å; D194-Q272 VanDerWaalsContact O-N 3.09Å; D194-M273 HydrophobicContact CB-CB 4.02Å; D194-M273 PolarHBondContact N-O 3.03Å; D194-M273 PolarHBondContact O-N 2.65Å
195I83.2Confident75.5Confident2 Ų265.9 Ų65.91%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-115.2140.3-178.865.6179.9000109.2V197 L212 Y235 M237 M255 I258 F269I195-V197 HydrophobicContact CD1-CG2 4.14Å; I195-V197 HydrophobicContact CG1-CG2 4.18Å; I195-L212 HydrophobicContact CD1-CD2 4.39Å; I195-Y235 PolarHBondContact N-O 2.94Å; I195-Y235 PolarHBondContact O-N 3.31Å; I195-Y235 VanDerWaalsContact O-O 3.04Å; I195-M237 HydrophobicContact CG2-CE 4.19Å; I195-M255 HydrophobicContact CG2-CG 4.23Å; I195-M255 HydrophobicContact CG2-SD 4.07Å; I195-I258 HydrophobicContact CD1-CD1 4.16Å; I195-F269 HydrophobicContact CB-CE2 3.89Å; I195-F269 HydrophobicContact CB-CZ 4.02Å; I195-F269 HydrophobicContact CD1-CE2 4.24Å; I195-F269 HydrophobicContact CG2-CE2 4.14Å; I195-F269 HydrophobicContact CG2-CZ 3.81Å
196E83.5Confident76.4Confident43 Ų4367 Ų6720%0.20134%0.338CS..EExtended strand (participates in β ladder)trans-109.4119.6174.1-165.7173.787.100107.7P233 R234 F269 N270 Q272E196-P233 CarbonylContact C-O 3.25Å; E196-P233 VanDerWaalsContact CA-O 3.32Å; E196-P233 WeakPolarHBondContact CA-O 3.15Å; E196-P233 HydrophobicContact CG-CB 4.03Å; E196-P233 HydrophobicContact CG-CG 3.71Å; E196-R234 IonicContact OE2-NE 3.91Å; E196-F269 WeakPolarHBondContact O-CA 3.42Å; E196-N270 WeakPolarHBondContact CA-O 3.01Å; E196-N270 HydrophobicContact CB-CB 4.2Å; E196-N270 WeakPolarHBondContact CB-O 3.39Å; E196-N270 PolarHBondContact N-O 2.85Å; E196-N270 PolarHBondContact O-N 2.97Å; E196-Q272 HydrophobicContact CB-CG 4.4Å; E196-Q272 PolarHBondContact OE2-NE2 3.05Å
197V78.7Confident77.2Confident5 Ų564.3 Ų64.33%0.0332%0.32CS..EExtended strand (participates in β ladder)trans-123.6115-177.8-168.10000108.2I195 V208 P233 Y235 I262 F269I195-V197 HydrophobicContact CD1-CG2 4.14Å; I195-V197 HydrophobicContact CG1-CG2 4.18Å; V197-V208 HydrophobicContact CG1-CG1 4.33Å; V197-V208 HydrophobicContact CG1-CG2 3.96Å; V197-P233 PolarHBondContact N-O 2.89Å; V197-P233 WeakPolarHBondContact O-CB 3.41Å; V197-Y235 HydrophobicContact CB-CD2 4.04Å; V197-Y235 HydrophobicContact CB-CE2 3.89Å; V197-Y235 HydrophobicContact CG2-CD2 3.99Å; V197-Y235 HydrophobicContact CG2-CE2 4.33Å; V197-I262 HydrophobicContact CG1-CD1 3.45Å; V197-I262 VanDerWaalsContact CG1-CD1 3.45Å; V197-I262 HydrophobicContact CG1-CG1 3.73Å; V197-I262 HydrophobicContact CG1-CG2 4.28Å; V197-F269 HydrophobicContact CG2-CD2 3.93Å; V197-F269 HydrophobicContact CG2-CE2 4.09Å
198A80.6Confident78.1Confident15 Ų1556.6 Ų56.612%0.12429%0.285CS..EExtended strand (participates in β ladder)trans-123.4126.3176.300000109.6Y200 P233 G267 V268A198-Y200 HydrophobicContact CB-CE2 4.14Å; A198-P233 HydrophobicContact CB-CB 4.3Å; A198-G267 CarbonylContact O-C 3.57Å; A198-G267 VanDerWaalsContact O-CA 3.23Å; A198-G267 WeakPolarHBondContact O-CA 3.38Å; A198-V268 PolarHBondContact N-O 3.02Å; A198-V268 PolarHBondContact O-N 3.49Å
199C77.8Confident78.9Confident27 Ų2760.5 Ų60.518%0.18229%0.292CS..  trans-126.9119.3172.1-171.90000108.9V208C199-V208 HydrophobicContact CB-CG2 3.99Å
200Y77.4Confident79.2Confident198 Ų19863.6 Ų63.678%0.77630%0.304SS*.  trans-93.96.2-175.4-60.2-78000113.5A198 V268A198-Y200 HydrophobicContact CB-CE2 4.14Å; Y200-V268 HydrophobicContact CE2-CG2 4.31Å
201G74.4Confident79.5Confident45 Ų4560.1 Ų60.146%0.46429%0.289SS..SBendtrans-76.6158.1177.300000113.4E203 G204G201-E203 PolarHBondContact O-N 3.33Å; G201-G204 WeakPolarHBondContact O-CA 3.27Å; G201-G204 PolarHBondContact O-N 3.49Å
202Y69.9Low79.5Confident246 Ų24661.3 Ų61.397%0.96530%0.296SS*.THydrogen-bonded Turntrans-60.3-28.6177.3-160.2-98.7000112.7
203E75.6Confident79.7Confident153 Ų15369.1 Ų69.172%0.71533%0.325SS*.THydrogen-bonded Turntrans-101.523.3172.4-69.6177.786.500112.9G201 I205 D206 A207G201-E203 PolarHBondContact O-N 3.33Å; E203-I205 VanDerWaalsContact C-N 3.28Å; E203-I205 PolarHBondContact O-N 3.07Å; E203-D206 PolarHBondContact O-N 3.1Å; E203-D206 VanDerWaalsContact O-N 3.14Å; E203-A207 PolarHBondContact O-N 3.35Å
204G73.1Confident79.5Confident8 Ų870 Ų708%0.08233%0.332CS..Hα-helixtrans-61.1-31.4-172.600000114.7G201 A207 V208G201-G204 WeakPolarHBondContact O-CA 3.27Å; G201-G204 PolarHBondContact O-N 3.49Å; G204-A207 WeakPolarHBondContact O-CB 3.17Å; G204-V208 VanDerWaalsContact O-CG2 3.23Å; G204-V208 WeakPolarHBondContact O-CG2 3.17Å; G204-V208 PolarHBondContact O-N 3.06Å
205I76.8Confident79.2Confident128 Ų12868.9 Ų68.966%0.65633%0.326SS*.Hα-helixtrans-69.9-37.9178.4-59.3168.9000110.9E203 K209E203-I205 VanDerWaalsContact C-N 3.28Å; E203-I205 PolarHBondContact O-N 3.07Å; I205-K209 HydrophobicContact CG2-CD 4.23Å; I205-K209 WeakPolarHBondContact O-CB 3.4Å; I205-K209 VanDerWaalsContact O-CG 3.3Å; I205-K209 WeakPolarHBondContact O-CG 3.46Å; I205-K209 PolarHBondContact O-N 3.29Å
206D79.9Confident78.9Confident91 Ų9172.4 Ų72.449%0.48735%0.345SS..Hα-helixtrans-72.2-40.7178.1-162.7-96.3000110.8E203 V208 K209 E210E203-D206 PolarHBondContact O-N 3.1Å; E203-D206 VanDerWaalsContact O-N 3.14Å; D206-V208 PolarHBondContact O-N 2.53Å; D206-K209 PolarHBondContact O-N 3.26Å; D206-E210 WeakPolarHBondContact O-CB 3.5Å; D206-E210 PolarHBondContact O-N 2.87Å
207A80.1Confident78.4Confident4 Ų473.4 Ų73.43%0.03337%0.367CS..Hα-helixtrans-52.1-50.3170.600000112.9E203 G204 E210 A211 K265E203-A207 PolarHBondContact O-N 3.35Å; G204-A207 WeakPolarHBondContact O-CB 3.17Å; A207-E210 PolarHBondContact O-N 2.81Å; A207-A211 WeakPolarHBondContact O-CB 2.97Å; A207-A211 PolarHBondContact O-N 3.5Å; A207-K265 HydrophobicContact CB-CB 4.08Å; A207-K265 HydrophobicContact CB-CD 3.26Å; A207-K265 HydrophobicContact CB-CG 4.27Å
208V81.2Confident77.9Confident13 Ų1375.5 Ų75.58%0.07938%0.381CS..Hα-helixtrans-67.8-43.3-179.7174.40000110.8V197 C199 G204 D206 E210 A211 L212 I262V197-V208 HydrophobicContact CG1-CG1 4.33Å; V197-V208 HydrophobicContact CG1-CG2 3.96Å; C199-V208 HydrophobicContact CB-CG2 3.99Å; G204-V208 VanDerWaalsContact O-CG2 3.23Å; G204-V208 WeakPolarHBondContact O-CG2 3.17Å; G204-V208 PolarHBondContact O-N 3.06Å; D206-V208 PolarHBondContact O-N 2.53Å; V208-E210 VanDerWaalsContact C-N 3.35Å; V208-E210 PolarHBondContact O-N 2.86Å; V208-A211 PolarHBondContact O-N 2.87Å; V208-L212 HydrophobicContact CG1-CD1 3.87Å; V208-L212 HydrophobicContact CG1-CG 4.21Å; V208-L212 WeakPolarHBondContact O-CB 3.44Å; V208-L212 WeakPolarHBondContact O-CG 3.47Å; V208-L212 PolarHBondContact O-N 2.83Å; V208-I262 HydrophobicContact CG2-CD1 4.13Å
209K82.7Confident77.1Confident136 Ų13676.5 Ų76.559%0.59139%0.387SS*.Hα-helixtrans-61.9-41177.3-76.5175.6-178.3176.60112.5I205 D206 R213I205-K209 HydrophobicContact CG2-CD 4.23Å; I205-K209 WeakPolarHBondContact O-CB 3.4Å; I205-K209 VanDerWaalsContact O-CG 3.3Å; I205-K209 WeakPolarHBondContact O-CG 3.46Å; I205-K209 PolarHBondContact O-N 3.29Å; D206-K209 PolarHBondContact O-N 3.26Å; K209-R213 VanDerWaalsContact O-CB 3.26Å; K209-R213 WeakPolarHBondContact O-CB 3.41Å; K209-R213 PolarHBondContact O-N 3.18Å
210E82.7Confident76.8Confident92 Ų9279.3 Ų79.343%0.4340%0.404SS..Hα-helixtrans-68.7-40.1178.2-170.617574.100112.1D206 A207 V208 R213 A214 K265D206-E210 WeakPolarHBondContact O-CB 3.5Å; D206-E210 PolarHBondContact O-N 2.87Å; A207-E210 PolarHBondContact O-N 2.81Å; V208-E210 VanDerWaalsContact C-N 3.35Å; V208-E210 PolarHBondContact O-N 2.86Å; E210-R213 PolarHBondContact O-N 2.88Å; E210-A214 WeakPolarHBondContact O-CB 3.16Å; E210-A214 PolarHBondContact O-N 3.36Å; E210-K265 IonicContact OE1-NZ 2.71Å; E210-K265 PolarHBondContact OE1-NZ 3.42Å
211A81.9Confident75.8Confident0 Ų079.6 Ų79.60%041%0.412CS..Hα-helixtrans-63.5-45.7174.500000111.5A207 V208 R213 A214 G215 I258 K261 I262A207-A211 WeakPolarHBondContact O-CB 2.97Å; A207-A211 PolarHBondContact O-N 3.5Å; V208-A211 PolarHBondContact O-N 2.87Å; A211-R213 PolarHBondContact O-N 2.77Å; A211-A214 WeakPolarHBondContact O-CB 3.4Å; A211-A214 PolarHBondContact O-N 2.77Å; A211-G215 PolarHBondContact O-N 2.85Å; A211-I258 HydrophobicContact CB-CG2 4.28Å; A211-I258 WeakPolarHBondContact O-CG1 3.44Å; A211-K261 HydrophobicContact CB-CB 3.95Å; A211-I262 HydrophobicContact CB-CD1 3.65Å; A211-I262 HydrophobicContact CB-CG1 3.8Å
212L82.1Confident75.1Confident25 Ų2581.4 Ų81.413%0.13142%0.422CS..Hα-helixtrans-65.6-37.3176.6-67179.6000112.1I195 V208 A214 G215 L216 I227 Y235 I258I195-L212 HydrophobicContact CD1-CD2 4.39Å; V208-L212 HydrophobicContact CG1-CD1 3.87Å; V208-L212 HydrophobicContact CG1-CG 4.21Å; V208-L212 WeakPolarHBondContact O-CB 3.44Å; V208-L212 WeakPolarHBondContact O-CG 3.47Å; V208-L212 PolarHBondContact O-N 2.83Å; L212-A214 VanDerWaalsContact C-N 3.33Å; L212-G215 PolarHBondContact O-N 3.05Å; L212-L216 WeakPolarHBondContact O-CG 3.2Å; L212-L216 PolarHBondContact O-N 2.99Å; L212-I227 HydrophobicContact CB-CD1 4.47Å; L212-I227 HydrophobicContact CD2-CD1 3.98Å; L212-I227 HydrophobicContact CD2-CG2 4.11Å; L212-Y235 HydrophobicContact CD1-CD1 4Å; L212-Y235 HydrophobicContact CD1-CE1 3.79Å; L212-I258 HydrophobicContact CD2-CD1 4.46Å
213R83.9Confident74.9Confident196 Ų19670.9 Ų70.974%0.7438%0.383SS*.Hα-helixtrans-66.2-35.6174.1-172.6178.9-76.7174.5-4111.9K209 E210 A211 L216 G217K209-R213 VanDerWaalsContact O-CB 3.26Å; K209-R213 WeakPolarHBondContact O-CB 3.41Å; K209-R213 PolarHBondContact O-N 3.18Å; E210-R213 PolarHBondContact O-N 2.88Å; A211-R213 PolarHBondContact O-N 2.77Å; R213-L216 PolarHBondContact O-N 3.27Å; R213-G217 PolarHBondContact O-N 2.96Å
214A79.5Confident74.9Confident19 Ų1967 Ų6716%0.15737%0.37CS..Hα-helixtrans-66.1-41.6172.800000112.1E210 A211 L212 L216 G217 C218 K261E210-A214 WeakPolarHBondContact O-CB 3.16Å; E210-A214 PolarHBondContact O-N 3.36Å; A211-A214 WeakPolarHBondContact O-CB 3.4Å; A211-A214 PolarHBondContact O-N 2.77Å; L212-A214 VanDerWaalsContact C-N 3.33Å; A214-L216 VanDerWaalsContact C-N 3.32Å; A214-L216 PolarHBondContact O-N 3.43Å; A214-G217 PolarHBondContact O-N 3.38Å; A214-G217 VanDerWaalsContact O-N 3.11Å; A214-C218 PolarHBondContact O-N 2.81Å; A214-K261 HydrophobicContact CB-CD 3.56Å
215G77.6Confident75.3Confident0 Ų067 Ų670%037%0.369CS..Hα-helixtrans-61.1-38.9172.600000112.8A211 L212 G217 C218A211-G215 PolarHBondContact O-N 2.85Å; L212-G215 PolarHBondContact O-N 3.05Å; G215-G217 VanDerWaalsContact C-N 3.34Å; G215-C218 PolarHBondContact O-N 2.83Å
216L78.3Confident75.5Confident77 Ų7767.7 Ų67.740%0.40337%0.367SS..Hα-helixtrans-65.9-35172.1-76.1158000112.3L212 R213 A214 C218 S219 I225 I227L212-L216 WeakPolarHBondContact O-CG 3.2Å; L212-L216 PolarHBondContact O-N 2.99Å; R213-L216 PolarHBondContact O-N 3.27Å; A214-L216 VanDerWaalsContact C-N 3.32Å; A214-L216 PolarHBondContact O-N 3.43Å; L216-C218 VanDerWaalsContact C-N 3.25Å; L216-C218 PolarHBondContact O-N 3.45Å; L216-S219 WeakPolarHBondContact O-CB 3.05Å; L216-S219 PolarHBondContact O-N 3.32Å; L216-S219 PolarHBondContact O-OG 3.29Å; L216-I225 VanDerWaalsContact CD2-O 3.22Å; L216-I225 WeakPolarHBondContact CD2-O 3.35Å; L216-I227 HydrophobicContact CG-CD1 4.22Å
217G72Confident75.6Confident64 Ų6464.9 Ų64.966%0.6635%0.352SS*.Hα-helixtrans-67.5-20.3179.100000114.7R213 A214 G215 S219R213-G217 PolarHBondContact O-N 2.96Å; A214-G217 PolarHBondContact O-N 3.38Å; A214-G217 VanDerWaalsContact O-N 3.11Å; G215-G217 VanDerWaalsContact C-N 3.34Å; G217-S219 PolarHBondContact O-N 3.16Å
218C68.8Low75.7Confident48 Ų4869.6 Ų69.632%0.32438%0.376SS..THydrogen-bonded Turntrans-79.8-0.9171.4-660000113.3A214 G215 L216A214-C218 PolarHBondContact O-N 2.81Å; G215-C218 PolarHBondContact O-N 2.83Å; L216-C218 VanDerWaalsContact C-N 3.25Å; L216-C218 PolarHBondContact O-N 3.45Å
219S63.2Low75.7Confident37 Ų3773.3 Ų73.326%0.25940%0.395SS..  trans-74.1134.9176.8-48.10000110.8L216 G217 I225L216-S219 WeakPolarHBondContact O-CB 3.05Å; L216-S219 PolarHBondContact O-N 3.32Å; L216-S219 PolarHBondContact O-OG 3.29Å; G217-S219 PolarHBondContact O-N 3.16Å; S219-I225 WeakPolarHBondContact OG-CB 3.4Å; S219-I225 WeakPolarHBondContact OG-CD1 3.37Å; S219-I225 WeakPolarHBondContact OG-CG1 3.14Å
220T70.8Confident75.5Confident86 Ų8668.3 Ų68.353%0.52837%0.374SS..BIsolated β-bridgetrans-92.7155.1171.3-54.40000109.8A222 M223T220-A222 PolarHBondContact O-N 3.48Å; T220-A222 VanDerWaalsContact O-N 3.1Å; T220-M223 CarbonylContact O-C 3.5Å; T220-M223 VanDerWaalsContact O-C 3.25Å; T220-M223 WeakPolarHBondContact O-CA 3.34Å; T220-M223 PolarHBondContact O-N 3.21Å
221E58.1Low75.1Confident204 Ų20464.6 Ų64.695%0.95336%0.36SS*.THydrogen-bonded Turntrans-57.7-25.8-178.5-147.9170.7100.800113.5
222A58.6Low74.8Confident82 Ų8269.4 Ų69.468%0.67839%0.391SS*.THydrogen-bonded Turntrans-82.4-12173.100000114.5T220T220-A222 PolarHBondContact O-N 3.48Å; T220-A222 VanDerWaalsContact O-N 3.1Å
223M66.5Low74.6Confident26 Ų2670.7 Ų70.713%0.12840%0.401CS..BIsolated β-bridgetrans-137.780.8-172.7-62.4-176.1-166.700111T220 I225 E246 V250T220-M223 CarbonylContact O-C 3.5Å; T220-M223 VanDerWaalsContact O-C 3.25Å; T220-M223 WeakPolarHBondContact O-CA 3.34Å; T220-M223 PolarHBondContact O-N 3.21Å; M223-I225 PolarHBondContact O-N 3.27Å; M223-E246 HydrophobicContact CE-CB 4.22Å; M223-V250 HydrophobicContact SD-CG2 4.32Å
224P75.3Confident74.6Confident71 Ų7166.8 Ų66.846%0.46139%0.386SS..  trans-72.2114178.428.6-33000110.6
225I81.2Confident74.8Confident9 Ų967.5 Ų67.55%0.04639%0.385CS..EExtended strand (participates in β ladder)trans-83.7126.4169.5-53.4175.5000108.2L216 S219 M223 I227 M237 V250 L251 A254L216-I225 VanDerWaalsContact CD2-O 3.22Å; L216-I225 WeakPolarHBondContact CD2-O 3.35Å; S219-I225 WeakPolarHBondContact OG-CB 3.4Å; S219-I225 WeakPolarHBondContact OG-CD1 3.37Å; S219-I225 WeakPolarHBondContact OG-CG1 3.14Å; M223-I225 PolarHBondContact O-N 3.27Å; I225-I227 HydrophobicContact CG2-CG1 4.22Å; I225-M237 HydrophobicContact CG2-CB 4.48Å; I225-V250 HydrophobicContact CD1-CG1 4.18Å; I225-L251 HydrophobicContact CD1-CD1 4.33Å; I225-L251 HydrophobicContact CG1-CD1 4.46Å; I225-L251 HydrophobicContact CG2-CD1 4.44Å; I225-A254 HydrophobicContact CD1-CB 4.33Å
226K80.4Confident75.1Confident141 Ų14167.8 Ų67.861%0.61339%0.386SS*.EExtended strand (participates in β ladder)trans-111129.2171.3-67.2-178.2-179.6-179.80108.9M237 T238K226-M237 CarbonylContact O-C 3.47Å; K226-M237 WeakPolarHBondContact O-CA 3.48Å; K226-T238 PolarHBondContact N-O 2.96Å; K226-T238 PolarHBondContact O-N 2.9Å
227I82.3Confident75.2Confident33 Ų3364.1 Ų64.117%0.16937%0.367CS..EExtended strand (participates in β ladder)trans-113.2115.8175.4-50.1178.9000107.7L212 L216 I225 V236 M237L212-I227 HydrophobicContact CB-CD1 4.47Å; L212-I227 HydrophobicContact CD2-CD1 3.98Å; L212-I227 HydrophobicContact CD2-CG2 4.11Å; L216-I227 HydrophobicContact CG-CD1 4.22Å; I225-I227 HydrophobicContact CG2-CG1 4.22Å; I227-V236 CarbonylContact C-O 3.45Å; I227-V236 WeakPolarHBondContact CA-O 3.28Å; I227-M237 HydrophobicContact CG1-CB 4.11Å
228N82.6Confident75.7Confident102 Ų10263 Ų6355%0.54535%0.348SS..EExtended strand (participates in β ladder)trans-108.6144.1174.5-73.8-20.7000109.8V236N228-V236 HydrophobicContact CB-CG1 3.76Å; N228-V236 PolarHBondContact N-O 3.32Å; N228-V236 WeakPolarHBondContact O-CG1 3.38Å; N228-V236 PolarHBondContact O-N 2.84Å
229L81.6Confident76.2Confident92 Ų9260.8 Ų60.848%0.48233%0.333SS..EExtended strand (participates in β ladder)trans-88.4127.7169.2175.5142.8000108Y235L229-Y235 HydrophobicContact CB-CD1 4.03Å; L229-Y235 HydrophobicContact CB-CE1 4.06Å; L229-Y235 HydrophobicContact CD1-CD1 4.25Å; L229-Y235 HydrophobicContact CD1-CE1 3.54Å; L229-Y235 HydrophobicContact CG-CD1 4.44Å; L229-Y235 HydrophobicContact CG-CE1 4.21Å
230I79.1Confident77.1Confident30 Ų3061.4 Ų61.415%0.15434%0.335CS..EExtended strand (participates in β ladder)trans-91.2-56.9172.8-60.4175.9000108.4R234 V236 L286 L290 L293I230-R234 PolarHBondContact N-O 3.37Å; I230-V236 HydrophobicContact CD1-CB 3.9Å; I230-V236 HydrophobicContact CD1-CG1 3.91Å; I230-V236 HydrophobicContact CG1-CB 4.27Å; I230-V236 HydrophobicContact CG1-CG1 3.83Å; I230-L286 HydrophobicContact CD1-CD1 4.11Å; I230-L290 HydrophobicContact CG2-CG 4.33Å; I230-L293 HydrophobicContact CG2-CD1 3.6Å
231A74.1Confident77.3Confident15 Ų1557.5 Ų57.512%0.12431%0.311CS..EExtended strand (participates in β ladder)trans-153.3141.417800000108.1P233 R234A231-P233 CarbonylContact O-C 3.57Å; A231-R234 PolarHBondContact N-O 2.97Å; A231-R234 CarbonylContact O-C 3.53Å; A231-R234 VanDerWaalsContact O-CA 3.26Å; A231-R234 WeakPolarHBondContact O-CA 3.41Å; A231-R234 WeakPolarHBondContact O-CB 3.41Å; A231-R234 PolarHBondContact O-N 3.42Å
232P74.1Confident78Confident100 Ų10053.1 Ų53.165%0.64929%0.294SS*.THydrogen-bonded Turntrans-59.3133.5171-1528.2000109.7
233P78.1Confident78.6Confident52 Ų5253.8 Ų53.834%0.33828%0.283SS..THydrogen-bonded Turncis-95.219-0.935-31.8000115.7E196 V197 A198 A231 Y235E196-P233 CarbonylContact C-O 3.25Å; E196-P233 VanDerWaalsContact CA-O 3.32Å; E196-P233 WeakPolarHBondContact CA-O 3.15Å; E196-P233 HydrophobicContact CG-CB 4.03Å; E196-P233 HydrophobicContact CG-CG 3.71Å; V197-P233 PolarHBondContact N-O 2.89Å; V197-P233 WeakPolarHBondContact O-CB 3.41Å; A198-P233 HydrophobicContact CB-CB 4.3Å; A231-P233 CarbonylContact O-C 3.57Å; P233-Y235 WeakPolarHBondContact O-CD2 3.2Å; P233-Y235 WeakPolarHBondContact O-CE2 3.38Å
234R85.1Confident78.9Confident114 Ų11460.3 Ų60.343%0.4331%0.306SS..EExtended strand (participates in β ladder)trans-92.1125.1-176.7-60.4-178.7176.5179.80.8114.1E196 I230 A231E196-R234 IonicContact OE2-NE 3.91Å; I230-R234 PolarHBondContact N-O 3.37Å; A231-R234 PolarHBondContact N-O 2.97Å; A231-R234 CarbonylContact O-C 3.53Å; A231-R234 VanDerWaalsContact O-CA 3.26Å; A231-R234 WeakPolarHBondContact O-CA 3.41Å; A231-R234 WeakPolarHBondContact O-CB 3.41Å; A231-R234 PolarHBondContact O-N 3.42Å
235Y83.3Confident79.1Confident34 Ų3461.5 Ų61.513%0.13331%0.312CS..EExtended strand (participates in β ladder)trans-119.7143.3175.9-58.7-98.7000110I195 V197 L212 L229 P233I195-Y235 PolarHBondContact N-O 2.94Å; I195-Y235 PolarHBondContact O-N 3.31Å; I195-Y235 VanDerWaalsContact O-O 3.04Å; V197-Y235 HydrophobicContact CB-CD2 4.04Å; V197-Y235 HydrophobicContact CB-CE2 3.89Å; V197-Y235 HydrophobicContact CG2-CD2 3.99Å; V197-Y235 HydrophobicContact CG2-CE2 4.33Å; L212-Y235 HydrophobicContact CD1-CD1 4Å; L212-Y235 HydrophobicContact CD1-CE1 3.79Å; L229-Y235 HydrophobicContact CB-CD1 4.03Å; L229-Y235 HydrophobicContact CB-CE1 4.06Å; L229-Y235 HydrophobicContact CD1-CD1 4.25Å; L229-Y235 HydrophobicContact CD1-CE1 3.54Å; L229-Y235 HydrophobicContact CG-CD1 4.44Å; L229-Y235 HydrophobicContact CG-CE1 4.21Å; P233-Y235 WeakPolarHBondContact O-CD2 3.2Å; P233-Y235 WeakPolarHBondContact O-CE2 3.38Å
236V84.2Confident78.9Confident6 Ų666.1 Ų66.14%0.03633%0.333CS..EExtended strand (participates in β ladder)trans-110.2128.7172.562.70000109.1R192 D194 I227 N228 I230R192-V236 HydrophobicContact CG-CG2 3.64Å; R192-V236 VanDerWaalsContact NE-CG2 3.27Å; D194-V236 WeakPolarHBondContact OD1-CG2 2.92Å; I227-V236 CarbonylContact C-O 3.45Å; I227-V236 WeakPolarHBondContact CA-O 3.28Å; N228-V236 HydrophobicContact CB-CG1 3.76Å; N228-V236 PolarHBondContact N-O 3.32Å; N228-V236 WeakPolarHBondContact O-CG1 3.38Å; N228-V236 PolarHBondContact O-N 2.84Å; I230-V236 HydrophobicContact CD1-CB 3.9Å; I230-V236 HydrophobicContact CD1-CG1 3.91Å; I230-V236 HydrophobicContact CG1-CB 4.27Å; I230-V236 HydrophobicContact CG1-CG1 3.83Å
237M80.4Confident78.6Confident1 Ų159.5 Ų59.51%0.00531%0.305CS..EExtended strand (participates in β ladder)trans-108.5127.617059.8176-172.200109.8R192 A193 I195 I225 K226 I227 L251 M255R192-M237 CarbonylContact C-O 3.52Å; R192-M237 VanDerWaalsContact CA-O 3.26Å; R192-M237 WeakPolarHBondContact CA-O 3.43Å; A193-M237 HydrophobicContact CB-CE 3.2Å; A193-M237 HydrophobicContact CB-CG 4Å; A193-M237 HydrophobicContact CB-SD 4.49Å; A193-M237 PolarHBondContact N-O 3.46Å; A193-M237 WeakPolarHBondContact O-CG 3.25Å; A193-M237 PolarHBondContact O-N 3.43Å; I195-M237 HydrophobicContact CG2-CE 4.19Å; I225-M237 HydrophobicContact CG2-CB 4.48Å; K226-M237 CarbonylContact O-C 3.47Å; K226-M237 WeakPolarHBondContact O-CA 3.48Å; I227-M237 HydrophobicContact CG1-CB 4.11Å; M237-L251 HydrophobicContact CE-CB 4.38Å; M237-L251 HydrophobicContact CE-CD1 4.43Å; M237-L251 HydrophobicContact CE-CD2 3.5Å; M237-L251 HydrophobicContact CE-CG 3.43Å; M237-L251 VanDerWaalsContact CE-CG 3.43Å; M237-L251 HydrophobicContact CG-CD2 4.28Å; M237-L251 HydrophobicContact CG-CG 4.44Å; M237-L251 HydrophobicContact SD-CD1 4.25Å; M237-L251 HydrophobicContact SD-CD2 4.22Å; M237-L251 HydrophobicContact SD-CG 3.84Å; M237-M255 HydrophobicContact CE-CE 3.94Å; M237-M255 HydrophobicContact CE-CG 3.22Å; M237-M255 HydrophobicContact CE-SD 3.29Å; M237-M255 WeakPolarHBondContact CE-SD 3.47Å; M237-M255 HydrophobicContact SD-CG 4.09Å
238T82.2Confident78.5Confident41 Ų4160.6 Ų60.625%0.25231%0.311SS..EExtended strand (participates in β ladder)trans-121.1125.5179.3-54.90000108.5I191 K226I191-T238 CarbonylContact O-C 3.46Å; I191-T238 WeakPolarHBondContact O-CA 3.24Å; K226-T238 PolarHBondContact N-O 2.96Å; K226-T238 PolarHBondContact O-N 2.9Å
239T79.7Confident78.5Confident1 Ų159.2 Ų59.21%0.00631%0.309CS..EExtended strand (participates in β ladder)trans-118.6148.9170.1-172.40000109.9K190 I191 L251K190-T239 CarbonylContact C-O 3.57Å; K190-T239 VanDerWaalsContact CA-O 3.3Å; K190-T239 WeakPolarHBondContact CA-O 3.28Å; I191-T239 HydrophobicContact CB-CG2 3.67Å; I191-T239 HydrophobicContact CD1-CG2 4.43Å; I191-T239 HydrophobicContact CG1-CG2 4.4Å; I191-T239 HydrophobicContact CG2-CG2 4.45Å; I191-T239 PolarHBondContact N-O 3.3Å; I191-T239 PolarHBondContact O-N 3.07Å; T239-L251 HydrophobicContact CG2-CD1 3.51Å; T239-L251 HydrophobicContact CG2-CD2 4.48Å
240T81Confident78.5Confident50 Ų5056.1 Ų56.131%0.30729%0.294SS..EExtended strand (participates in β ladder)trans-111.7120.3173.2-59.40000108A188A188-T240 HydrophobicContact CB-CG2 3.44Å; A188-T240 VanDerWaalsContact CB-CG2 3.44Å
241T75.8Confident78.7Confident3 Ų354.7 Ų54.72%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-133.9151.1-179.5-176.20000111.7A188 V189 I191 E243A188-T241 CarbonylContact C-O 3.53Å; A188-T241 WeakPolarHBondContact CA-O 3.49Å; V189-T241 PolarHBondContact N-O 2.83Å; V189-T241 PolarHBondContact O-N 3.4Å; I191-T241 HydrophobicContact CD1-CG2 3.47Å; I191-T241 VanDerWaalsContact CD1-CG2 3.47Å; I191-T241 HydrophobicContact CG1-CG2 4.06Å; T241-E243 WeakPolarHBondContact CG2-O 3.19Å; T241-E243 PolarHBondContact OG1-N 3.29Å; T241-E243 VanDerWaalsContact OG1-N 3.16Å; T241-E243 PolarHBondContact OG1-O 3.43Å
242L71.9Confident79.1Confident113 Ų11358 Ų5859%0.59230%0.302SS*.SBendtrans-78.8-27.3171-64.9168000111.5P186 A188P186-L242 HydrophobicContact CG-CD2 4.46Å; P186-L242 WeakPolarHBondContact O-CD2 3.43Å; A188-L242 HydrophobicContact CB-CD2 4.28Å
243E72.7Confident79.6Confident95 Ų9559.1 Ų59.144%0.44430%0.299SS..  trans-120.6125.3-176.3-164.1171.5110.700112.5T241 T245 G247T241-E243 WeakPolarHBondContact CG2-O 3.19Å; T241-E243 PolarHBondContact OG1-N 3.29Å; T241-E243 VanDerWaalsContact OG1-N 3.16Å; T241-E243 PolarHBondContact OG1-O 3.43Å; E243-T245 WeakPolarHBondContact CG-OG1 3.26Å; E243-T245 PolarHBondContact O-N 2.81Å; E243-T245 PolarHBondContact OE1-OG1 3.34Å; E243-G247 PolarHBondContact O-N 2.73Å; E243-G247 VanDerWaalsContact O-N 3.13Å
244R72Confident79.9Confident164 Ų16456.7 Ų56.762%0.61928%0.283SS*.Hα-helixtrans-63.2-42.3-175-64.2178.7-178.7164-0.4112.3L248 V277R244-L248 WeakPolarHBondContact O-CD1 3.18Å; R244-L248 WeakPolarHBondContact O-CG 3.25Å; R244-L248 PolarHBondContact O-N 3.39Å; R244-L248 VanDerWaalsContact O-N 3.17Å; R244-V277 HydrophobicContact CG-CG2 4.43Å
245T78.6Confident79.8Confident96 Ų9651.6 Ų51.659%0.58926%0.264SS*.Hα-helixtrans-70.6-49.3-174.528.30000112.1E243 L248 S249E243-T245 WeakPolarHBondContact CG-OG1 3.26Å; E243-T245 PolarHBondContact O-N 2.81Å; E243-T245 PolarHBondContact OE1-OG1 3.34Å; T245-L248 PolarHBondContact O-N 2.86Å; T245-S249 PolarHBondContact O-N 3.48Å; T245-S249 VanDerWaalsContact O-N 3.17Å
246E77Confident79.9Confident106 Ų10652.9 Ų52.950%0.49528%0.282SS..Hα-helixtrans-64.3-42.5177.3-69.3-171.299.200111.7M223 L248 S249 V250M223-E246 HydrophobicContact CE-CB 4.22Å; E246-L248 PolarHBondContact O-N 3.46Å; E246-S249 WeakPolarHBondContact O-CB 3.49Å; E246-S249 PolarHBondContact O-N 3.46Å; E246-S249 VanDerWaalsContact O-N 3.13Å; E246-V250 WeakPolarHBondContact O-CG2 3.28Å; E246-V250 PolarHBondContact O-N 3.36Å
247G75.3Confident79.9Confident1 Ų153.9 Ų53.91%0.0129%0.291CS..Hα-helixtrans-64-37.5179.300000113.8E243 S249 L251E243-G247 PolarHBondContact O-N 2.73Å; E243-G247 VanDerWaalsContact O-N 3.13Å; G247-S249 VanDerWaalsContact C-N 3.33Å; G247-L251 WeakPolarHBondContact O-CB 3.42Å; G247-L251 PolarHBondContact O-N 3.46Å; G247-L251 VanDerWaalsContact O-N 3.07Å
248L79.7Confident80.1Confident57 Ų5753.9 Ų53.930%0.29829%0.291SS..Hα-helixtrans-64.9-38.4173.5-73.5168.7000111.8I191 R244 T245 E246 N252 A275I191-L248 HydrophobicContact CD1-CG 4.3Å; I191-L248 HydrophobicContact CG2-CD2 4.07Å; R244-L248 WeakPolarHBondContact O-CD1 3.18Å; R244-L248 WeakPolarHBondContact O-CG 3.25Å; R244-L248 PolarHBondContact O-N 3.39Å; R244-L248 VanDerWaalsContact O-N 3.17Å; T245-L248 PolarHBondContact O-N 2.86Å; E246-L248 PolarHBondContact O-N 3.46Å; L248-N252 WeakPolarHBondContact O-CB 3.33Å; L248-N252 PolarHBondContact O-N 2.85Å; L248-N252 PolarHBondContact O-ND2 3.46Å; L248-N252 VanDerWaalsContact O-ND2 3.14Å; L248-A275 HydrophobicContact CD2-CB 3.56Å; L248-A275 WeakPolarHBondContact CD2-O 3.25Å
249S82Confident80.2Confident72 Ų7256.5 Ų56.550%0.50330%0.299SS..Hα-helixtrans-67-46.7178.3-168.50000111.7T245 E246 G247 L251 N252 Q253T245-S249 PolarHBondContact O-N 3.48Å; T245-S249 VanDerWaalsContact O-N 3.17Å; E246-S249 WeakPolarHBondContact O-CB 3.49Å; E246-S249 PolarHBondContact O-N 3.46Å; E246-S249 VanDerWaalsContact O-N 3.13Å; G247-S249 VanDerWaalsContact C-N 3.33Å; S249-L251 VanDerWaalsContact C-N 3.33Å; S249-L251 PolarHBondContact O-N 2.88Å; S249-N252 PolarHBondContact O-N 3.19Å; S249-Q253 WeakPolarHBondContact O-CB 3.15Å; S249-Q253 PolarHBondContact O-N 2.94Å
250V82.7Confident80.5Confident28 Ų2863.5 Ų63.517%0.1733%0.332CS..Hα-helixtrans-62.2-41.8178.6173.80000110.9M223 I225 E246 Q253 A254M223-V250 HydrophobicContact SD-CG2 4.32Å; I225-V250 HydrophobicContact CD1-CG1 4.18Å; E246-V250 WeakPolarHBondContact O-CG2 3.28Å; E246-V250 PolarHBondContact O-N 3.36Å; V250-Q253 PolarHBondContact O-N 3.5Å; V250-A254 WeakPolarHBondContact O-CB 3.23Å; V250-A254 PolarHBondContact O-N 3.21Å
251L82.1Confident80.5Confident0 Ų065 Ų650%033%0.334CS..Hα-helixtrans-66.4-39.6177.7-135.372.5000112.3I191 A193 I225 M237 T239 G247 S249 A254 M255 A275I191-L251 HydrophobicContact CG2-CD2 3.92Å; A193-L251 HydrophobicContact CB-CD2 4.03Å; I225-L251 HydrophobicContact CD1-CD1 4.33Å; I225-L251 HydrophobicContact CG1-CD1 4.46Å; I225-L251 HydrophobicContact CG2-CD1 4.44Å; M237-L251 HydrophobicContact CE-CB 4.38Å; M237-L251 HydrophobicContact CE-CD1 4.43Å; M237-L251 HydrophobicContact CE-CD2 3.5Å; M237-L251 HydrophobicContact CE-CG 3.43Å; M237-L251 VanDerWaalsContact CE-CG 3.43Å; M237-L251 HydrophobicContact CG-CD2 4.28Å; M237-L251 HydrophobicContact CG-CG 4.44Å; M237-L251 HydrophobicContact SD-CD1 4.25Å; M237-L251 HydrophobicContact SD-CD2 4.22Å; M237-L251 HydrophobicContact SD-CG 3.84Å; T239-L251 HydrophobicContact CG2-CD1 3.51Å; T239-L251 HydrophobicContact CG2-CD2 4.48Å; G247-L251 WeakPolarHBondContact O-CB 3.42Å; G247-L251 PolarHBondContact O-N 3.46Å; G247-L251 VanDerWaalsContact O-N 3.07Å; S249-L251 VanDerWaalsContact C-N 3.33Å; S249-L251 PolarHBondContact O-N 2.88Å; L251-A254 PolarHBondContact O-N 3.33Å; L251-M255 WeakPolarHBondContact O-CG 3.35Å; L251-M255 PolarHBondContact O-N 3.01Å; L251-A275 HydrophobicContact CB-CB 4.23Å; L251-A275 HydrophobicContact CD2-CB 3.67Å
252N84.5Confident80.9Confident83 Ų8364.9 Ų64.944%0.44433%0.333SS..Hα-helixtrans-64-40.7173.7-86.4-42.7000112.2L248 S249 M255 A256L248-N252 WeakPolarHBondContact O-CB 3.33Å; L248-N252 PolarHBondContact O-N 2.85Å; L248-N252 PolarHBondContact O-ND2 3.46Å; L248-N252 VanDerWaalsContact O-ND2 3.14Å; S249-N252 PolarHBondContact O-N 3.19Å; N252-M255 HydrophobicContact CB-CE 4.4Å; N252-M255 PolarHBondContact O-N 3.44Å; N252-M255 WeakPolarHBondContact OD1-CE 3.28Å; N252-A256 WeakPolarHBondContact O-CB 3.43Å; N252-A256 PolarHBondContact O-N 3.2Å
253Q84.3Confident81.4Confident124 Ų12465 Ų6558%0.57933%0.331SS*.Hα-helixtrans-65.3-40.2176.2-170173.4-2.200111.5S249 V250 A256 A257S249-Q253 WeakPolarHBondContact O-CB 3.15Å; S249-Q253 PolarHBondContact O-N 2.94Å; V250-Q253 PolarHBondContact O-N 3.5Å; Q253-A256 PolarHBondContact O-N 3.02Å; Q253-A257 WeakPolarHBondContact O-CB 3.46Å; Q253-A257 PolarHBondContact O-N 3.13Å
254A83.3Confident81.8Confident2 Ų267.9 Ų67.92%0.01734%0.344CS..Hα-helixtrans-63.5-41.9173.400000111.9I225 V250 L251 A257 I258I225-A254 HydrophobicContact CD1-CB 4.33Å; V250-A254 WeakPolarHBondContact O-CB 3.23Å; V250-A254 PolarHBondContact O-N 3.21Å; L251-A254 PolarHBondContact O-N 3.33Å; A254-A257 PolarHBondContact O-N 2.85Å; A254-I258 WeakPolarHBondContact O-CD1 3.18Å; A254-I258 VanDerWaalsContact O-CG1 3.23Å; A254-I258 WeakPolarHBondContact O-CG1 3.39Å; A254-I258 PolarHBondContact O-N 2.68Å
255M82.9Confident82Confident6 Ų663.4 Ų63.43%0.0333%0.329CS..Hα-helixtrans-62.4-42.5174.4-75-173.4-68.700112.5A193 I195 M237 L251 N252 A257 I258 K259 F269 I271A193-M255 HydrophobicContact CB-SD 4.45Å; I195-M255 HydrophobicContact CG2-CG 4.23Å; I195-M255 HydrophobicContact CG2-SD 4.07Å; M237-M255 HydrophobicContact CE-CE 3.94Å; M237-M255 HydrophobicContact CE-CG 3.22Å; M237-M255 HydrophobicContact CE-SD 3.29Å; M237-M255 WeakPolarHBondContact CE-SD 3.47Å; M237-M255 HydrophobicContact SD-CG 4.09Å; L251-M255 WeakPolarHBondContact O-CG 3.35Å; L251-M255 PolarHBondContact O-N 3.01Å; N252-M255 HydrophobicContact CB-CE 4.4Å; N252-M255 PolarHBondContact O-N 3.44Å; N252-M255 WeakPolarHBondContact OD1-CE 3.28Å; M255-A257 VanDerWaalsContact C-N 3.34Å; M255-I258 PolarHBondContact O-N 2.87Å; M255-K259 VanDerWaalsContact O-CB 3.25Å; M255-K259 WeakPolarHBondContact O-CB 3.5Å; M255-K259 PolarHBondContact O-N 2.95Å; M255-F269 HydrophobicContact CB-CZ 4.36Å; M255-F269 HydrophobicContact CG-CZ 4.39Å; M255-I271 HydrophobicContact SD-CD1 4.07Å; M255-I271 HydrophobicContact SD-CG1 4.41Å
256A85.3Confident81.8Confident61 Ų6169.8 Ų69.850%0.50434%0.342SS..Hα-helixtrans-62.2-43.1177.200000111.3N252 Q253 K259 E260N252-A256 WeakPolarHBondContact O-CB 3.43Å; N252-A256 PolarHBondContact O-N 3.2Å; Q253-A256 PolarHBondContact O-N 3.02Å; A256-K259 PolarHBondContact O-N 3.31Å; A256-E260 PolarHBondContact O-N 2.81Å
257A84.8Confident81.7Confident28 Ų2865.3 Ų65.323%0.23133%0.325CS..Hα-helixtrans-65.3-38.9176.600000112.8Q253 A254 M255 K261Q253-A257 WeakPolarHBondContact O-CB 3.46Å; Q253-A257 PolarHBondContact O-N 3.13Å; A254-A257 PolarHBondContact O-N 2.85Å; M255-A257 VanDerWaalsContact C-N 3.34Å; A257-K261 PolarHBondContact O-N 3.46Å
258I83.6Confident81.9Confident1 Ų169.1 Ų69.11%0.00535%0.348CS..Hα-helixtrans-65.1-46.2174-67.8162.6000109.7I195 A211 L212 A254 M255 E260 K261 I262 F269I195-I258 HydrophobicContact CD1-CD1 4.16Å; A211-I258 HydrophobicContact CB-CG2 4.28Å; A211-I258 WeakPolarHBondContact O-CG1 3.44Å; L212-I258 HydrophobicContact CD2-CD1 4.46Å; A254-I258 WeakPolarHBondContact O-CD1 3.18Å; A254-I258 VanDerWaalsContact O-CG1 3.23Å; A254-I258 WeakPolarHBondContact O-CG1 3.39Å; A254-I258 PolarHBondContact O-N 2.68Å; M255-I258 PolarHBondContact O-N 2.87Å; I258-E260 PolarHBondContact O-N 3.37Å; I258-K261 PolarHBondContact O-N 3.5Å; I258-I262 HydrophobicContact CG2-CG1 4.16Å; I258-I262 WeakPolarHBondContact O-CB 3.22Å; I258-I262 WeakPolarHBondContact O-CG1 3.49Å; I258-I262 PolarHBondContact O-N 2.88Å; I258-F269 HydrophobicContact CB-CE2 4.44Å; I258-F269 HydrophobicContact CG2-CD2 4.02Å; I258-F269 HydrophobicContact CG2-CE2 3.75Å
259K85.1Confident81.8Confident95 Ų9567.8 Ų67.841%0.41334%0.339SS..Hα-helixtrans-58.8-48.3-179.9-177.5-178.7175-174.90111.6M255 A256 K261 I262 E263 F269M255-K259 VanDerWaalsContact O-CB 3.25Å; M255-K259 WeakPolarHBondContact O-CB 3.5Å; M255-K259 PolarHBondContact O-N 2.95Å; A256-K259 PolarHBondContact O-N 3.31Å; K259-K261 PolarHBondContact O-N 3.18Å; K259-I262 PolarHBondContact O-N 2.7Å; K259-E263 WeakPolarHBondContact CE-OE2 3.33Å; K259-E263 HydrophobicContact CG-CG 4.39Å; K259-E263 WeakPolarHBondContact CG-OE2 3.33Å; K259-E263 WeakPolarHBondContact O-CB 3.43Å; K259-E263 WeakPolarHBondContact O-CG 3.28Å; K259-E263 PolarHBondContact O-N 2.86Å; K259-F269 HydrophobicContact CB-CD1 3.96Å; K259-F269 HydrophobicContact CB-CE1 4.27Å; K259-F269 HydrophobicContact CB-CG 4.23Å; K259-F269 HydrophobicContact CD-CD1 4.25Å; K259-F269 HydrophobicContact CG-CB 4.38Å; K259-F269 HydrophobicContact CG-CD1 3.99Å; K259-F269 HydrophobicContact CG-CG 4.33Å
260E85.9Confident81.8Confident149 Ų14968.3 Ų68.370%0.69634%0.337SS*.Hα-helixtrans-58.4-45179.6-172.5174.183.500112.1A256 I258 I262 E263 E264A256-E260 PolarHBondContact O-N 2.81Å; I258-E260 PolarHBondContact O-N 3.37Å; E260-I262 PolarHBondContact O-N 3.37Å; E260-E263 PolarHBondContact O-N 2.6Å; E260-E264 PolarHBondContact O-N 3.35Å
261K82.1Confident81.7Confident80 Ų8069.9 Ų69.935%0.34834%0.344SS..Hα-helixtrans-68-33177.4-89.7168.7174.9169.60114A211 A214 A257 I258 K259A211-K261 HydrophobicContact CB-CB 3.95Å; A214-K261 HydrophobicContact CB-CD 3.56Å; A257-K261 PolarHBondContact O-N 3.46Å; I258-K261 PolarHBondContact O-N 3.5Å; K259-K261 PolarHBondContact O-N 3.18Å
262I82.6Confident81.5Confident1 Ų174.6 Ų74.61%0.00537%0.366CS..Hα-helixtrans-75.7-37.6177.4-67.6-65.1000110.7V197 V208 A211 I258 K259 E260 K265 R266 G267 F269V197-I262 HydrophobicContact CG1-CD1 3.45Å; V197-I262 VanDerWaalsContact CG1-CD1 3.45Å; V197-I262 HydrophobicContact CG1-CG1 3.73Å; V197-I262 HydrophobicContact CG1-CG2 4.28Å; V208-I262 HydrophobicContact CG2-CD1 4.13Å; A211-I262 HydrophobicContact CB-CD1 3.65Å; A211-I262 HydrophobicContact CB-CG1 3.8Å; I258-I262 HydrophobicContact CG2-CG1 4.16Å; I258-I262 WeakPolarHBondContact O-CB 3.22Å; I258-I262 WeakPolarHBondContact O-CG1 3.49Å; I258-I262 PolarHBondContact O-N 2.88Å; K259-I262 PolarHBondContact O-N 2.7Å; E260-I262 PolarHBondContact O-N 3.37Å; I262-K265 PolarHBondContact O-N 3.4Å; I262-R266 PolarHBondContact O-N 3.47Å; I262-G267 WeakPolarHBondContact O-CA 3.49Å; I262-G267 PolarHBondContact O-N 3.25Å; I262-F269 HydrophobicContact CG2-CB 4.22Å
263E82.4Confident81.2Confident116 Ų11673.7 Ų73.754%0.54236%0.359SS..Hα-helixtrans-65.7-38.7175-74.6-172.610000112.1K259 E260 K265 R266K259-E263 WeakPolarHBondContact CE-OE2 3.33Å; K259-E263 HydrophobicContact CG-CG 4.39Å; K259-E263 WeakPolarHBondContact CG-OE2 3.33Å; K259-E263 WeakPolarHBondContact O-CB 3.43Å; K259-E263 WeakPolarHBondContact O-CG 3.28Å; K259-E263 PolarHBondContact O-N 2.86Å; E260-E263 PolarHBondContact O-N 2.6Å; E263-K265 PolarHBondContact O-N 2.88Å; E263-R266 PolarHBondContact O-N 2.89Å; E263-R266 VanDerWaalsContact O-N 3.11Å
264E81.4Confident80.8Confident156 Ų15672.4 Ų72.473%0.72936%0.356SS*.Hα-helixtrans-57.7-36.5175.8-173.1173.681.900112.2E260E260-E264 PolarHBondContact O-N 3.35Å
265K75.5Confident80.5Confident69 Ų6972.9 Ų72.930%0.336%0.361SS..THydrogen-bonded Turntrans-94.816.1-178.8-62.9-174.7-178.8178.20113.6A207 E210 I262 E263 G267A207-K265 HydrophobicContact CB-CB 4.08Å; A207-K265 HydrophobicContact CB-CD 3.26Å; A207-K265 HydrophobicContact CB-CG 4.27Å; E210-K265 IonicContact OE1-NZ 2.71Å; E210-K265 PolarHBondContact OE1-NZ 3.42Å; I262-K265 PolarHBondContact O-N 3.4Å; E263-K265 PolarHBondContact O-N 2.88Å; K265-G267 VanDerWaalsContact C-N 3.3Å; K265-G267 PolarHBondContact O-N 3.48Å
266R75.2Confident80.2Confident230 Ų23078.2 Ų78.287%0.86838%0.384SS*.THydrogen-bonded Turntrans56.735.6-178.1-62.2-175.9175-174.6-1114.2I262 E263I262-R266 PolarHBondContact O-N 3.47Å; E263-R266 PolarHBondContact O-N 2.89Å; E263-R266 VanDerWaalsContact O-N 3.11Å
267G75.2Confident79.7Confident12 Ų1278 Ų7812%0.12438%0.376CS..  trans-88.7164.117000000112.8A198 I262 K265A198-G267 CarbonylContact O-C 3.57Å; A198-G267 VanDerWaalsContact O-CA 3.23Å; A198-G267 WeakPolarHBondContact O-CA 3.38Å; I262-G267 WeakPolarHBondContact O-CA 3.49Å; I262-G267 PolarHBondContact O-N 3.25Å; K265-G267 VanDerWaalsContact C-N 3.3Å; K265-G267 PolarHBondContact O-N 3.48Å
268V79.6Confident79.2Confident82 Ų8277.7 Ų77.750%0.49737%0.371SS..EExtended strand (participates in β ladder)trans-101.8127172.6-177.40000108.3A198 Y200A198-V268 PolarHBondContact N-O 3.02Å; A198-V268 PolarHBondContact O-N 3.49Å; Y200-V268 HydrophobicContact CE2-CG2 4.31Å
269F77.9Confident78.5Confident28 Ų2881 Ų8112%0.12339%0.391CS..EExtended strand (participates in β ladder)trans-116.6122.2173.6-179.4-93.7000108.9I195 E196 V197 M255 I258 K259 I262 I271I195-F269 HydrophobicContact CB-CE2 3.89Å; I195-F269 HydrophobicContact CB-CZ 4.02Å; I195-F269 HydrophobicContact CD1-CE2 4.24Å; I195-F269 HydrophobicContact CG2-CE2 4.14Å; I195-F269 HydrophobicContact CG2-CZ 3.81Å; E196-F269 WeakPolarHBondContact O-CA 3.42Å; V197-F269 HydrophobicContact CG2-CD2 3.93Å; V197-F269 HydrophobicContact CG2-CE2 4.09Å; M255-F269 HydrophobicContact CB-CZ 4.36Å; M255-F269 HydrophobicContact CG-CZ 4.39Å; I258-F269 HydrophobicContact CB-CE2 4.44Å; I258-F269 HydrophobicContact CG2-CD2 4.02Å; I258-F269 HydrophobicContact CG2-CE2 3.75Å; K259-F269 HydrophobicContact CB-CD1 3.96Å; K259-F269 HydrophobicContact CB-CE1 4.27Å; K259-F269 HydrophobicContact CB-CG 4.23Å; K259-F269 HydrophobicContact CD-CD1 4.25Å; K259-F269 HydrophobicContact CG-CB 4.38Å; K259-F269 HydrophobicContact CG-CD1 3.99Å; K259-F269 HydrophobicContact CG-CG 4.33Å; I262-F269 HydrophobicContact CG2-CB 4.22Å; F269-I271 HydrophobicContact CD1-CG1 4.31Å; F269-I271 HydrophobicContact CE1-CD1 3.98Å; F269-I271 HydrophobicContact CE1-CG1 3.48Å; F269-I271 VanDerWaalsContact CE1-CG1 3.48Å; F269-I271 HydrophobicContact CZ-CG1 4.09Å
270N81.1Confident77.5Confident84 Ų8482.8 Ų82.845%0.44941%0.406SS..EExtended strand (participates in β ladder)trans-129.7134.1178.4-158.537.6000110.6E196E196-N270 WeakPolarHBondContact CA-O 3.01Å; E196-N270 HydrophobicContact CB-CB 4.2Å; E196-N270 WeakPolarHBondContact CB-O 3.39Å; E196-N270 PolarHBondContact N-O 2.85Å; E196-N270 PolarHBondContact O-N 2.97Å
271I81.6Confident76.4Confident61 Ų6179.8 Ų79.831%0.31340%0.398SS..EExtended strand (participates in β ladder)trans-93.5111.8178.1-56.8172.8000106.8M255 F269M255-I271 HydrophobicContact SD-CD1 4.07Å; M255-I271 HydrophobicContact SD-CG1 4.41Å; F269-I271 HydrophobicContact CD1-CG1 4.31Å; F269-I271 HydrophobicContact CE1-CD1 3.98Å; F269-I271 HydrophobicContact CE1-CG1 3.48Å; F269-I271 VanDerWaalsContact CE1-CG1 3.48Å; F269-I271 HydrophobicContact CZ-CG1 4.09Å
272Q77.8Confident75.7Confident99 Ų9978.4 Ų78.446%0.46339%0.394SS..EExtended strand (participates in β ladder)trans-77-42.1175.1-75.6-96.53.500110D194 E196D194-Q272 HydrophobicContact CB-CB 4.26Å; D194-Q272 PolarHBondContact O-N 3.05Å; D194-Q272 VanDerWaalsContact O-N 3.09Å; E196-Q272 HydrophobicContact CB-CG 4.4Å; E196-Q272 PolarHBondContact OE2-NE2 3.05Å
273M77.6Confident74.8Confident63 Ų6382.3 Ų82.331%0.3141%0.412SS..EExtended strand (participates in β ladder)trans-142.9117.2-180-166.7159.6167.900109.4A193 D194 K276A193-M273 WeakPolarHBondContact CA-O 3.5Å; A193-M273 WeakPolarHBondContact CB-O 3.41Å; D194-M273 HydrophobicContact CB-CB 4.02Å; D194-M273 PolarHBondContact N-O 3.03Å; D194-M273 PolarHBondContact O-N 2.65Å; M273-K276 HydrophobicContact CE-CB 4.41Å; M273-K276 HydrophobicContact CE-CD 3.43Å; M273-K276 VanDerWaalsContact CE-CD 3.43Å; M273-K276 HydrophobicContact CG-CD 4.15Å
274D76.8Confident74.1Confident97 Ų9780.3 Ų80.352%0.51941%0.408SS..EExtended strand (participates in β ladder)trans-59161.9174.1-61.5-87000111.9K276D274-K276 PolarHBondContact O-N 3.24Å
275A75.6Confident73.4Confident13 Ų1378.6 Ų78.611%0.10740%0.4CS..EExtended strand (participates in β ladder)trans-51.4109177.900000111.2I191 R192 A193 L248 L251I191-A275 HydrophobicContact CG2-CB 4.04Å; R192-A275 CarbonylContact O-C 3.55Å; R192-A275 WeakPolarHBondContact O-CA 3.15Å; A193-A275 HydrophobicContact CB-CB 4.38Å; L248-A275 HydrophobicContact CD2-CB 3.56Å; L248-A275 WeakPolarHBondContact CD2-O 3.25Å; L251-A275 HydrophobicContact CB-CB 4.23Å; L251-A275 HydrophobicContact CD2-CB 3.67Å
276K78.3Confident72.9Confident118 Ų11876.8 Ų76.851%0.51339%0.393SS..EExtended strand (participates in β ladder)trans-124.6143.5179.1-80.4175.3178179.30110.3I191 R192 M273 D274 V278I191-K276 WeakPolarHBondContact CA-O 3.39Å; R192-K276 PolarHBondContact N-O 3.15Å; R192-K276 PolarHBondContact O-N 3.31Å; M273-K276 HydrophobicContact CE-CB 4.41Å; M273-K276 HydrophobicContact CE-CD 3.43Å; M273-K276 VanDerWaalsContact CE-CD 3.43Å; M273-K276 HydrophobicContact CG-CD 4.15Å; D274-K276 PolarHBondContact O-N 3.24Å; K276-V278 PolarHBondContact O-N 3.28Å
277V73.9Confident72.5Confident55 Ų5568.7 Ų68.733%0.33338%0.376SS..EExtended strand (participates in β ladder)trans-68.3120.5172.4167.10000108.3V189 I191 R244V189-V277 HydrophobicContact CG1-CB 4.02Å; V189-V277 HydrophobicContact CG1-CG1 3.17Å; V189-V277 HydrophobicContact CG1-CG2 3.81Å; I191-V277 HydrophobicContact CG1-CG2 4.15Å; R244-V277 HydrophobicContact CG-CG2 4.43Å
278V73.6Confident72.4Confident23 Ų2377 Ų7714%0.13940%0.403CS..PPolyproline II helixtrans-77.8129.4178.7-178.90000108.4K190 R192 K276 D282 E283K190-V278 HydrophobicContact CB-CB 4.29Å; K190-V278 PolarHBondContact O-N 3.21Å; R192-V278 HydrophobicContact CB-CG2 3.17Å; R192-V278 HydrophobicContact CG-CG2 4.28Å; K276-V278 PolarHBondContact O-N 3.28Å; V278-D282 HydrophobicContact CG1-CB 3.7Å; V278-E283 HydrophobicContact CG1-CG 3.61Å
279T69.4Low71.7Confident70 Ų7077.8 Ų77.843%0.42940%0.402SS..PPolyproline II helixtrans-94162.1166.967.70000110.1T281 D282 E283T279-T281 PolarHBondContact O-N 2.91Å; T279-D282 PolarHBondContact N-OD2 3.5Å; T279-D282 WeakPolarHBondContact O-CB 3.47Å; T279-D282 PolarHBondContact O-N 3.34Å; T279-D282 PolarHBondContact OG1-OD2 3.11Å; T279-E283 PolarHBondContact O-N 2.78Å
280D63.6Low71.1Confident133 Ų13378.9 Ų78.971%0.71141%0.409SS*.Hα-helixtrans-54.4-26.6176.6-168.8-105.6000112.7T284D280-T284 PolarHBondContact O-N 3.09Å; D280-T284 PolarHBondContact O-OG1 2.93Å
281T64.4Low70.5Confident86 Ų8681.6 Ų81.653%0.52842%0.418SS..Hα-helixtrans-70.7-39.1175-38.70000112.5T279 E283 T284 E285T279-T281 PolarHBondContact O-N 2.91Å; T281-E283 PolarHBondContact O-N 3.23Å; T281-T284 PolarHBondContact O-N 2.95Å; T281-T284 PolarHBondContact O-OG1 3.08Å; T281-E285 WeakPolarHBondContact O-CG 3.28Å; T281-E285 PolarHBondContact O-N 2.84Å; T281-E285 VanDerWaalsContact O-N 3.1Å
282D65.9Low69.9Low51 Ų5187 Ų8727%0.27344%0.435SS..Hα-helixtrans-68-33176.3-70.4-97.8000112.2V278 T279 L286V278-D282 HydrophobicContact CG1-CB 3.7Å; T279-D282 PolarHBondContact N-OD2 3.5Å; T279-D282 WeakPolarHBondContact O-CB 3.47Å; T279-D282 PolarHBondContact O-N 3.34Å; T279-D282 PolarHBondContact OG1-OD2 3.11Å; D282-L286 VanDerWaalsContact O-CB 3.28Å; D282-L286 WeakPolarHBondContact O-CB 3.34Å; D282-L286 PolarHBondContact O-N 3.45Å
283E64.4Low69.3Low82 Ų8284.4 Ų84.438%0.38342%0.424SS..Hα-helixtrans-66-38.4176.2-70.9-164.581.200111.6K190 V278 T279 T281 A287K190-E283 IonicContact NZ-OE1 3.97Å; K190-E283 PolarHBondContact NZ-OE1 2.88Å; K190-E283 IonicContact NZ-OE2 3.01Å; K190-E283 PolarHBondContact NZ-OE2 3.4Å; V278-E283 HydrophobicContact CG1-CG 3.61Å; T279-E283 PolarHBondContact O-N 2.78Å; T281-E283 PolarHBondContact O-N 3.23Å; E283-A287 PolarHBondContact O-N 2.8Å
284T66.9Low68.6Low75 Ų7587.4 Ų87.446%0.4644%0.437SS..Hα-helixtrans-74.2-36.3178.5260000112.8D280 T281 L286 R288D280-T284 PolarHBondContact O-N 3.09Å; D280-T284 PolarHBondContact O-OG1 2.93Å; T281-T284 PolarHBondContact O-N 2.95Å; T281-T284 PolarHBondContact O-OG1 3.08Å; T284-L286 VanDerWaalsContact C-N 3.35Å; T284-R288 PolarHBondContact O-N 3.48Å
285E67.3Low68Low119 Ų11990.8 Ų90.856%0.55644%0.443SS*.Hα-helixtrans-65.2-40.3171.9-71.2-170.9102.200111.6T281 R288 Q289T281-E285 WeakPolarHBondContact O-CG 3.28Å; T281-E285 PolarHBondContact O-N 2.84Å; T281-E285 VanDerWaalsContact O-N 3.1Å; E285-R288 PolarHBondContact O-N 2.86Å; E285-Q289 WeakPolarHBondContact O-CB 3.15Å; E285-Q289 PolarHBondContact O-N 3.37Å
286L64.5Low67.4Low31 Ų3195 Ų9516%0.16246%0.46CS..Hα-helixtrans-65.2-44.9176.8-178.159.8000112.4R192 I230 D282 T284 R288 Q289 L290R192-L286 VanDerWaalsContact NH1-CD1 3.31Å; R192-L286 VanDerWaalsContact NH1-CD2 3.33Å; I230-L286 HydrophobicContact CD1-CD1 4.11Å; D282-L286 VanDerWaalsContact O-CB 3.28Å; D282-L286 WeakPolarHBondContact O-CB 3.34Å; D282-L286 PolarHBondContact O-N 3.45Å; T284-L286 VanDerWaalsContact C-N 3.35Å; L286-R288 PolarHBondContact O-N 3.47Å; L286-Q289 CarbonylContact O-C 3.58Å; L286-Q289 WeakPolarHBondContact O-CA 3.41Å; L286-Q289 PolarHBondContact O-N 2.93Å; L286-L290 HydrophobicContact CD1-CD1 3.62Å; L286-L290 HydrophobicContact CD2-CD1 4.07Å; L286-L290 HydrophobicContact CG-CD1 3.53Å; L286-L290 PolarHBondContact O-N 3.08Å
287A67.7Low66.6Low60 Ų6094.1 Ų94.150%0.49646%0.461SS..Hα-helixtrans-58.3-40.7178.800000111.6E283 Q289 L290 E291E283-A287 PolarHBondContact O-N 2.8Å; A287-Q289 VanDerWaalsContact C-N 3.34Å; A287-L290 PolarHBondContact O-N 3.13Å; A287-E291 WeakPolarHBondContact O-CB 3.26Å; A287-E291 PolarHBondContact O-N 3.06Å
288R72.9Confident66Low187 Ų18795.2 Ų95.271%0.70648%0.476SS*.Hα-helixtrans-66.2-36.4173.5-72-179.9-176.6162.33.6112.6T284 E285 L286 R292T284-R288 PolarHBondContact O-N 3.48Å; E285-R288 PolarHBondContact O-N 2.86Å; L286-R288 PolarHBondContact O-N 3.47Å; R288-R292 VanDerWaalsContact O-CB 3.32Å; R288-R292 WeakPolarHBondContact O-CB 3.34Å; R288-R292 PolarHBondContact O-N 2.88Å
289Q65.4Low65.2Low98 Ų98100.9 Ų100.946%0.45850%0.501SS..Hα-helixtrans-72.2-37.9178.6-162.1173.412.400112.1E285 L286 A287 R292 L293E285-Q289 WeakPolarHBondContact O-CB 3.15Å; E285-Q289 PolarHBondContact O-N 3.37Å; L286-Q289 CarbonylContact O-C 3.58Å; L286-Q289 WeakPolarHBondContact O-CA 3.41Å; L286-Q289 PolarHBondContact O-N 2.93Å; A287-Q289 VanDerWaalsContact C-N 3.34Å; Q289-R292 PolarHBondContact O-N 3.41Å; Q289-L293 HydrophobicContact CG-CD1 4.03Å; Q289-L293 WeakPolarHBondContact O-CB 3.49Å; Q289-L293 WeakPolarHBondContact O-CD1 3.4Å; Q289-L293 WeakPolarHBondContact O-CG 3.47Å; Q289-L293 PolarHBondContact O-N 2.97Å
290L64.5Low64.5Low52 Ų52103.3 Ų103.327%0.27252%0.516SS..Hα-helixtrans-62.7-49.4171.2-98.8115.9000111I230 L286 A287 R292 L293 E294I230-L290 HydrophobicContact CG2-CG 4.33Å; L286-L290 HydrophobicContact CD1-CD1 3.62Å; L286-L290 HydrophobicContact CD2-CD1 4.07Å; L286-L290 HydrophobicContact CG-CD1 3.53Å; L286-L290 PolarHBondContact O-N 3.08Å; A287-L290 PolarHBondContact O-N 3.13Å; L290-R292 VanDerWaalsContact C-N 3.25Å; L290-R292 PolarHBondContact O-N 3.39Å; L290-L293 PolarHBondContact O-N 3.36Å; L290-L293 VanDerWaalsContact O-N 3.17Å; L290-E294 WeakPolarHBondContact O-CB 3.37Å; L290-E294 WeakPolarHBondContact O-CG 3.48Å; L290-E294 PolarHBondContact O-N 3.44Å
291E69.4Low63.4Low140 Ų140104.4 Ų104.465%0.65452%0.522SS*.Hα-helixtrans-59.5-39.1179.1-172.2178.389.500111.5A287 R295A287-E291 WeakPolarHBondContact O-CB 3.26Å; A287-E291 PolarHBondContact O-N 3.06Å; E291-R295 WeakPolarHBondContact O-CB 3.44Å; E291-R295 PolarHBondContact O-N 2.89Å
292R68.8Low62.5Low174 Ų174103 Ų10366%0.65752%0.524SS*.Hα-helixtrans-67.1-44.2176.8-166.3-173.1173.5159.54.8112.5R288 Q289 L290 R295 E296R288-R292 VanDerWaalsContact O-CB 3.32Å; R288-R292 WeakPolarHBondContact O-CB 3.34Å; R288-R292 PolarHBondContact O-N 2.88Å; Q289-R292 PolarHBondContact O-N 3.41Å; L290-R292 VanDerWaalsContact C-N 3.25Å; L290-R292 PolarHBondContact O-N 3.39Å; R292-R295 PolarHBondContact O-N 3.34Å; R292-E296 WeakPolarHBondContact CG-OE2 3.15Å; R292-E296 IonicContact NE-OE2 3.6Å; R292-E296 PolarHBondContact NE-OE2 3.45Å; R292-E296 WeakPolarHBondContact O-CG 3.3Å; R292-E296 PolarHBondContact O-N 3.46Å
293L64.1Low61.7Low46 Ų46108.2 Ų108.224%0.24155%0.552CS.*Hα-helixtrans-72.9-34.2179.8-70.9166.9000112.7I230 Q289 L290 R295 E296 N297I230-L293 HydrophobicContact CG2-CD1 3.6Å; Q289-L293 HydrophobicContact CG-CD1 4.03Å; Q289-L293 WeakPolarHBondContact O-CB 3.49Å; Q289-L293 WeakPolarHBondContact O-CD1 3.4Å; Q289-L293 WeakPolarHBondContact O-CG 3.47Å; Q289-L293 PolarHBondContact O-N 2.97Å; L290-L293 PolarHBondContact O-N 3.36Å; L290-L293 VanDerWaalsContact O-N 3.17Å; L293-R295 VanDerWaalsContact C-N 3.31Å; L293-E296 PolarHBondContact O-N 3.22Å; L293-N297 WeakPolarHBondContact O-CB 3.32Å; L293-N297 PolarHBondContact O-N 3.02Å
294E63.8Low60.5Low125 Ų125111.3 Ų111.358%0.58457%0.571SS**Hα-helixtrans-64.1-38.9170.9-79.4-17886.500110.6L290 N297 A298L290-E294 WeakPolarHBondContact O-CB 3.37Å; L290-E294 WeakPolarHBondContact O-CG 3.48Å; L290-E294 PolarHBondContact O-N 3.44Å; E294-N297 PolarHBondContact O-N 2.92Å; E294-A298 WeakPolarHBondContact O-CB 3.35Å; E294-A298 PolarHBondContact O-N 2.73Å
295R63.3Low59.3Low168 Ų168117.1 Ų117.163%0.63459%0.593SS**Hα-helixtrans-66.8-45.9175.3-148.1179.4-179.7160.11.4112E291 R292 L293 N297 A298 E299E291-R295 WeakPolarHBondContact O-CB 3.44Å; E291-R295 PolarHBondContact O-N 2.89Å; R292-R295 PolarHBondContact O-N 3.34Å; L293-R295 VanDerWaalsContact C-N 3.31Å; R295-N297 VanDerWaalsContact C-N 3.32Å; R295-N297 PolarHBondContact O-N 3.05Å; R295-A298 PolarHBondContact O-N 3.24Å; R295-E299 WeakPolarHBondContact CG-OE2 3.25Å; R295-E299 WeakPolarHBondContact O-CB 3.46Å; R295-E299 VanDerWaalsContact O-CG 3.32Å; R295-E299 WeakPolarHBondContact O-CG 3.39Å; R295-E299 PolarHBondContact O-N 2.95Å
296E62.9Low58Low101 Ų101118.4 Ų118.447%0.47260%0.604SS.*Hα-helixtrans-64.5-32.9176.8-74.3175.873.100112.6R292 L293R292-E296 WeakPolarHBondContact CG-OE2 3.15Å; R292-E296 IonicContact NE-OE2 3.6Å; R292-E296 PolarHBondContact NE-OE2 3.45Å; R292-E296 WeakPolarHBondContact O-CG 3.3Å; R292-E296 PolarHBondContact O-N 3.46Å; L293-E296 PolarHBondContact O-N 3.22Å
297N61.8Low56.9Low100 Ų100120.4 Ų120.454%0.53563%0.632SS.*Hα-helixtrans-80.6-29173.7-83.4-24.3000113.6L293 E294 R295L293-N297 WeakPolarHBondContact O-CB 3.32Å; L293-N297 PolarHBondContact O-N 3.02Å; E294-N297 PolarHBondContact O-N 2.92Å; R295-N297 VanDerWaalsContact C-N 3.32Å; R295-N297 PolarHBondContact O-N 3.05Å
298A61.5Low55.4Low79 Ų79126.3 Ų126.365%0.65365%0.649SS**Hα-helixtrans-78.7-22.7178.100000112.9E294 R295 V300E294-A298 WeakPolarHBondContact O-CB 3.35Å; E294-A298 PolarHBondContact O-N 2.73Å; R295-A298 PolarHBondContact O-N 3.24Å; A298-V300 VanDerWaalsContact C-N 3.34Å
299E57Low53.8Low142 Ų142126.8 Ų126.866%0.66466%0.662SS**THydrogen-bonded Turntrans-85.1-0.4-179.2-73.5-179.7100.300114R295R295-E299 WeakPolarHBondContact CG-OE2 3.25Å; R295-E299 WeakPolarHBondContact O-CB 3.46Å; R295-E299 VanDerWaalsContact O-CG 3.32Å; R295-E299 WeakPolarHBondContact O-CG 3.39Å; R295-E299 PolarHBondContact O-N 2.95Å
300V54.1Low52.4Low121 Ų121130.9 Ų130.973%0.73368%0.681SS**  trans-10366.9173.3-173.20000110A298A298-V300 VanDerWaalsContact C-N 3.34Å
301D40.4Very low51.1Low156 Ų156132.8 Ų132.883%0.83470%0.704SS**  trans-88.8112.2156.2-159.2-122000105.6D303D301-D303 PolarHBondContact O-N 3.09Å
302G45.1Very low49.7Very low57 Ų57136 Ų13659%0.58872%0.716SS**  trans-67.3130-172.800000111.6D304G302-D304 PolarHBondContact O-N 3.24Å
303D49.9Very low48.1Very low160 Ų160132.4 Ų132.486%0.85672%0.724SS**  trans-46.8122.8163.5-136-8.1000109.7D301 E305D301-D303 PolarHBondContact O-N 3.09Å; D303-E305 PolarHBondContact O-N 3.1Å
304D38.9Very low46.9Very low147 Ų147139.6 Ų139.679%0.78676%0.756SS**  trans-63.595.4167-79.7-67000109G302 D306G302-D304 PolarHBondContact O-N 3.24Å; D304-D306 VanDerWaalsContact C-N 3.27Å; D304-D306 PolarHBondContact O-N 3.19Å; D304-D306 VanDerWaalsContact O-N 3.12Å
305E41.9Very low45.7Very low196 Ų196144.9 Ų144.992%0.91679%0.789SS**  trans-76.481.8157.9-91.6-168.2121.500109.1D303 G307D303-E305 PolarHBondContact O-N 3.1Å; E305-G307 PolarHBondContact O-N 3.2Å
306D40Very low44.8Very low146 Ų146143.8 Ų143.878%0.78180%0.796SS**  trans-74.7105.2158.2-112.1-62.9000108.8D304 E308D304-D306 VanDerWaalsContact C-N 3.27Å; D304-D306 PolarHBondContact O-N 3.19Å; D304-D306 VanDerWaalsContact O-N 3.12Å; D306-E308 PolarHBondContact O-N 3.49Å
307G40.8Very low43.8Very low73 Ų73146 Ų14675%0.75381%0.814SS**  trans-82.4104.9169.900000111.5E305E305-G307 PolarHBondContact O-N 3.2Å
308E36.7Very low42.8Very low185 Ų185148.6 Ų148.686%0.86483%0.829SS**  trans-12095.6153.4-82.5-169144.800110D306D306-E308 PolarHBondContact O-N 3.49Å
309M39.2Very low41.7Very low196 Ų196152.6 Ų152.697%0.96684%0.839SS**  trans-76.5111.8151.4-101.3-171.9-179.400107.6
310E35.2Very low40.8Very low184 Ų184153.3 Ų153.386%0.8685%0.85SS**  trans-141.3118.4149.1-127.1-178.7144.600113.1
311A38.2Very low39.9Very low92 Ų92155.5 Ų155.576%0.7686%0.858SS**  trans59.6112.4147.100000121.4
312K39.6Very low39.8Very low207 Ų207155.4 Ų155.490%0.986%0.86SS**  trans-50.9137144.1-70.9178.3170.6-176.60111.4
313A36.3Very low39.4Very low100 Ų100163 Ų16383%0.82688%0.881SS**  trans-152.6120138.800000109.8
314E37.8Very low38.6Very low196 Ų196163.3 Ų163.392%0.91688%0.883SS**  trans-70.1129.5161.1-73.21649600109.5
315D38.2Very low38.5Very low237 Ų237164.7 Ų164.7100%1.26789%0.892SS**  179.60115.6-168.1-116.7000108.9

Retrieved 315 of 315 residues in 940.9 ms (Link to these results)

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