A0A087XF22_POEFO Loading...

Crystallin, zeta (quinone reductase)

AlphaFold DB , UniProt , Accession A0A087XF22, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 328 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
1M40.9Very low83.2Confident246 Ų24678.7 Ų78.7100%1.21243%0.431SS*.  098.10-70-165.9-97.900107.5G3M1-G3 PolarHBondContact O-N 2.88Å
2S49.4Very low84.5Confident125 Ų12572.2 Ų72.287%0.87440%0.395SS*.PPolyproline II helixtrans-70.4118.1175179.90000107.5S4S2-S4 PolarHBondContact O-N 3.36Å
3G60.5Low85.6Confident65 Ų6573 Ų7367%0.6741%0.409SS*.PPolyproline II helixtrans-55.2138.9176.400000110.5M1 R5M1-G3 PolarHBondContact O-N 2.88Å; G3-R5 PolarHBondContact O-N 3.41Å
4S80.3Confident86.5Confident72 Ų7277 Ų7750%0.50342%0.423SS..PPolyproline II helixtrans-59128.7174.5-169.90000109.1S2S2-S4 PolarHBondContact O-N 3.36Å
5R94.2Very high87.3Confident125 Ų12576.7 Ų76.747%0.47242%0.416SS..PPolyproline II helixtrans-67.2133.8176.3-175.8-179.7178.7-176.81108.7G3 V29 D77 Y105G3-R5 PolarHBondContact O-N 3.41Å; R5-V29 HydrophobicContact CB-CB 4.22Å; R5-V29 HydrophobicContact CB-CG2 4.07Å; R5-V29 HydrophobicContact CG-CB 4.44Å; R5-V29 HydrophobicContact CG-CG2 3.79Å; R5-V29 WeakPolarHBondContact O-CG2 3.38Å; R5-V29 PolarHBondContact O-N 3.26Å; R5-D77 IonicContact NH1-OD1 2.94Å; R5-Y105 VanDerWaalsContact CZ-CZ 3.42Å; R5-Y105 VanDerWaalsContact NH1-CZ 3.31Å; R5-Y105 PolarHBondContact NH1-OH 2.75Å; R5-Y105 VanDerWaalsContact NH2-CZ 3.29Å; R5-Y105 PolarHBondContact NH2-OH 3.25Å
6M97.3Very high87.9Confident101 Ų10173.3 Ų73.350%0.49840%0.404SS..EExtended strand (participates in β ladder)trans-100.5155.9176.4-57.1-56.5-174.600111.2V27 P28M6-V27 CarbonylContact C-O 3.43Å; M6-V27 WeakPolarHBondContact CA-O 3.4Å; M6-P28 HydrophobicContact SD-CB 4.29Å; M6-P28 HydrophobicContact SD-CG 4.02Å
7M98.1Very high88.5Confident9 Ų972.3 Ų72.34%0.04441%0.408CS..EExtended strand (participates in β ladder)trans-141.3162.117763.2167.2-176.900112A9 S25 V27 V29 A103 E104 Y105M7-A9 HydrophobicContact CE-CB 4.23Å; M7-S25 CarbonylContact O-C 3.57Å; M7-V27 HydrophobicContact CE-CB 4.4Å; M7-V27 HydrophobicContact CE-CG1 3.83Å; M7-V27 HydrophobicContact CG-CB 4.22Å; M7-V27 VanDerWaalsContact CG-O 3.24Å; M7-V27 WeakPolarHBondContact CG-O 3.4Å; M7-V27 PolarHBondContact N-O 2.91Å; M7-V27 PolarHBondContact O-N 3.24Å; M7-V27 VanDerWaalsContact O-N 3.15Å; M7-V29 HydrophobicContact CB-CG2 3.81Å; M7-V29 HydrophobicContact CG-CG2 3.98Å; M7-V29 HydrophobicContact SD-CG2 4.37Å; M7-A103 HydrophobicContact CE-CB 3.96Å; M7-A103 HydrophobicContact SD-CB 3.99Å; M7-E104 WeakPolarHBondContact CA-OE2 3.41Å; M7-E104 HydrophobicContact CB-CB 4.2Å; M7-Y105 HydrophobicContact CB-CD2 4.28Å; M7-Y105 HydrophobicContact SD-CD2 4.4Å; M7-Y105 HydrophobicContact SD-CG 4.49Å; M7-Y105 PolarHBondContact SD-N 2.78Å
8R98.7Very high89.1Confident68 Ų6870.2 Ų70.226%0.25740%0.398SS..EExtended strand (participates in β ladder)trans-81.8134.9164.8-59.6-179.1-62.2148.415.5110.7L23 C24 A103 E104 L304 E305 M328R8-L23 HydrophobicContact CB-CD1 4.31Å; R8-C24 CarbonylContact C-O 3.51Å; R8-C24 VanDerWaalsContact CA-O 3.26Å; R8-C24 WeakPolarHBondContact CA-O 3.16Å; R8-A103 WeakPolarHBondContact O-CA 3.24Å; R8-E104 HydrophobicContact CB-CG 4.15Å; R8-E104 IonicContact CZ-OE1 2.79Å; R8-E104 VanDerWaalsContact CZ-OE1 3.31Å; R8-E104 PolarHBondContact N-OE2 2.86Å; R8-E104 IonicContact NE-OE1 2.6Å; R8-E104 PolarHBondContact NE-OE1 2.91Å; R8-E104 IonicContact NH2-OE1 3.64Å; R8-E104 PolarHBondContact NH2-OE1 2.65Å; R8-E104 PolarHBondContact O-N 3.29Å; R8-L304 HydrophobicContact CB-CD2 4.43Å; R8-E305 IonicContact CZ-OE1 3.6Å; R8-E305 IonicContact NH1-OE1 3.24Å; R8-E305 PolarHBondContact NH1-OE1 3.38Å; R8-M328 PolarHBondContact NH2-OXT 3.39Å
9A98.8Very high89.5Confident0 Ų069.8 Ų69.80%040%0.4CS..EExtended strand (participates in β ladder)trans-151.1151173.500000111.5M7 C24 V27 Y102 A103M7-A9 HydrophobicContact CE-CB 4.23Å; A9-C24 PolarHBondContact N-O 3.23Å; A9-C24 PolarHBondContact O-N 2.69Å; A9-V27 HydrophobicContact CB-CB 4.33Å; A9-V27 HydrophobicContact CB-CG1 4.49Å; A9-V27 HydrophobicContact CB-CG2 4.1Å; A9-Y102 CarbonylContact C-O 3.22Å; A9-Y102 WeakPolarHBondContact CA-O 3.39Å; A9-A103 HydrophobicContact CB-CB 3.55Å
10I98.8Very high90Very high3 Ų367 Ų672%0.01538%0.384CS..EExtended strand (participates in β ladder)trans-76.8131.4166.7-58.9-62000108.9L21 R22 L23 T67 Y102 L304 A307I10-L21 HydrophobicContact CG2-CB 3.82Å; I10-L21 HydrophobicContact CG2-CD2 3.57Å; I10-L21 HydrophobicContact CG2-CG 4.31Å; I10-R22 CarbonylContact C-O 3.51Å; I10-R22 WeakPolarHBondContact CA-O 3.46Å; I10-L23 HydrophobicContact CD1-CB 4.11Å; I10-L23 HydrophobicContact CD1-CD1 3.95Å; I10-T67 WeakPolarHBondContact O-CA 3.22Å; I10-T67 WeakPolarHBondContact O-CB 3.09Å; I10-T67 VanDerWaalsContact O-CG2 3.3Å; I10-T67 WeakPolarHBondContact O-CG2 3.32Å; I10-T67 PolarHBondContact O-OG1 3.32Å; I10-Y102 HydrophobicContact CB-CD2 4.3Å; I10-Y102 HydrophobicContact CG1-CD2 4.43Å; I10-Y102 HydrophobicContact CG2-CD2 4.42Å; I10-Y102 PolarHBondContact N-O 3.35Å; I10-L304 HydrophobicContact CD1-CD1 4.45Å; I10-L304 HydrophobicContact CD1-CG 4.38Å; I10-L304 WeakPolarHBondContact CD1-O 3.33Å; I10-L304 HydrophobicContact CG1-CD1 3.72Å; I10-L304 HydrophobicContact CG1-CG 4.14Å; I10-A307 HydrophobicContact CD1-CB 3.92Å; I10-A307 HydrophobicContact CG1-CB 3.79Å
11R98.6Very high90.4Very high52 Ų5264.3 Ų64.320%0.19637%0.369CS..EExtended strand (participates in β ladder)trans-122.9137.3178.8-58.7-62.3-70.1164.6-0.7109.7R22 C24 V27 P65 Y66 T67R11-R22 PolarHBondContact N-O 3.18Å; R11-R22 PolarHBondContact O-N 3Å; R11-C24 HydrophobicContact CG-CB 3.92Å; R11-C24 VanDerWaalsContact CG-SG 3.58Å; R11-V27 HydrophobicContact CG-CG2 4.15Å; R11-P65 PolarHBondContact NH2-O 2.83Å; R11-Y66 WeakPolarHBondContact CA-O 3.33Å; R11-T67 VanDerWaalsContact CD-OG1 3.25Å; R11-T67 WeakPolarHBondContact CD-OG1 3.33Å; R11-T67 PolarHBondContact NH1-OG1 3.06Å
12V98.7Very high93.1Very high0 Ų059.9 Ų59.90%034%0.338CS..BIsolated β-bridgetrans-117.3109174.1179.20000107.1E14 V20 L21 L64 P65 Y66 P68V12-E14 WeakPolarHBondContact CG1-O 3.39Å; V12-V20 HydrophobicContact CG1-CG2 3.95Å; V12-L21 HydrophobicContact CG2-CD2 3.63Å; V12-L21 HydrophobicContact CG2-CG 4.48Å; V12-L64 HydrophobicContact CG1-CD2 4.09Å; V12-L64 VanDerWaalsContact O-CD2 3.28Å; V12-L64 WeakPolarHBondContact O-CD2 3.49Å; V12-P65 WeakPolarHBondContact O-CA 3.23Å; V12-Y66 HydrophobicContact CB-CD1 3.98Å; V12-Y66 HydrophobicContact CB-CE1 3.55Å; V12-Y66 HydrophobicContact CG1-CD1 4.3Å; V12-Y66 HydrophobicContact CG1-CE1 3.55Å; V12-Y66 HydrophobicContact CG2-CE1 4.24Å; V12-Y66 PolarHBondContact N-O 3.41Å; V12-Y66 PolarHBondContact O-N 2.91Å; V12-Y66 VanDerWaalsContact O-N 3.08Å; V12-P68 HydrophobicContact CG2-CG 3.91Å
13S98.3Very high95.5Very high83 Ų8357.5 Ų57.558%0.5832%0.315SS*.SBendtrans-98.1-15.4-179.1-56.90000113.3
14E98.3Very high97.3Very high129 Ų12956.2 Ų56.260%0.60330%0.296SS*.SBendtrans-145.7151.8173.764.1-174.9172.200109.5V12 V20V12-E14 WeakPolarHBondContact CG1-O 3.39Å; E14-V20 HydrophobicContact CG-CB 4.43Å; E14-V20 HydrophobicContact CG-CG1 4Å; E14-V20 WeakPolarHBondContact O-CG2 2.94Å
15F98.5Very high98Very high72 Ų7257 Ų5732%0.31630%0.301SS..  trans-76.9144.4175.4-62.4-66.7000110.8I53 R54 K61 L64 Y66F15-I53 WeakPolarHBondContact CD1-O 3.24Å; F15-R54 WeakPolarHBondContact CA-O 3.49Å; F15-K61 HydrophobicContact CZ-CB 4.3Å; F15-L64 HydrophobicContact CD1-CD2 4.5Å; F15-L64 HydrophobicContact CD2-CD1 3.91Å; F15-L64 HydrophobicContact CE1-CD2 4.18Å; F15-L64 HydrophobicContact CE2-CD1 3.69Å; F15-L64 HydrophobicContact CE2-CD2 4.43Å; F15-L64 HydrophobicContact CE2-CG 4.12Å; F15-L64 HydrophobicContact CZ-CD1 4.18Å; F15-L64 HydrophobicContact CZ-CD2 4.14Å; F15-L64 HydrophobicContact CZ-CG 4.1Å; F15-Y66 HydrophobicContact CE1-CE1 4.15Å
16G97.8Very high98.1Very high22 Ų2256.3 Ų56.323%0.22731%0.307CS..  trans166.4-155176.600000116.2R54 S55G16-R54 PolarHBondContact N-O 2.94Å; G16-R54 PolarHBondContact O-NE 2.98Å; G16-S55 WeakPolarHBondContact O-CA 3.48Å
17A97.8Very high98.1Very high57 Ų5752.6 Ų52.647%0.47129%0.29SS..SBendtrans-62.4166.6177.200000111.6S19 V20A17-S19 PolarHBondContact O-N 2.84Å; A17-V20 VanDerWaalsContact O-CG2 3.31Å; A17-V20 WeakPolarHBondContact O-CG2 3.44Å; A17-V20 PolarHBondContact O-N 3.04Å
18P98.2Very high98.1Very high34 Ų3455.6 Ų55.622%0.22131%0.31CS..G310 helixtrans-52.4-25.1-179.7-2633.3000115.2V20 L21 A308 H311 H312P18-V20 PolarHBondContact O-N 3.15Å; P18-V20 VanDerWaalsContact O-N 3.15Å; P18-L21 WeakPolarHBondContact O-CB 3.32Å; P18-L21 PolarHBondContact O-N 3.28Å; P18-L21 VanDerWaalsContact O-N 3.1Å; P18-A308 HydrophobicContact CB-CB 4.24Å; P18-A308 WeakPolarHBondContact CB-O 3.4Å; P18-A308 WeakPolarHBondContact O-CB 3.23Å; P18-H311 HydrophobicContact CB-CB 4.4Å; P18-H312 HydrophobicContact CG-CB 4.47Å
19S97.7Very high98Very high64 Ų6453.2 Ų53.245%0.44830%0.303SS..G310 helixtrans-59.2-20.3176.555.20000114.5A17 L21 R22A17-S19 PolarHBondContact O-N 2.84Å; S19-L21 PolarHBondContact O-N 3.2Å; S19-R22 PolarHBondContact O-NE 3.31Å; S19-R22 PolarHBondContact O-NH1 2.99Å; S19-R22 PolarHBondContact O-NH2 3.45Å
20V98.5Very high98Very high12 Ų1254.9 Ų54.97%0.07331%0.314CS..G310 helixtrans-73.3-11.2176.5-51.30000113.3V12 E14 A17 P18 R22 R54V12-V20 HydrophobicContact CG1-CG2 3.95Å; E14-V20 HydrophobicContact CG-CB 4.43Å; E14-V20 HydrophobicContact CG-CG1 4Å; E14-V20 WeakPolarHBondContact O-CG2 2.94Å; A17-V20 VanDerWaalsContact O-CG2 3.31Å; A17-V20 WeakPolarHBondContact O-CG2 3.44Å; A17-V20 PolarHBondContact O-N 3.04Å; P18-V20 PolarHBondContact O-N 3.15Å; P18-V20 VanDerWaalsContact O-N 3.15Å; V20-R22 PolarHBondContact O-N 2.94Å; V20-R22 VanDerWaalsContact O-N 3.15Å; V20-R54 HydrophobicContact CG2-CG 3.63Å
21L98.7Very high97.9Very high12 Ų1263 Ų636%0.06335%0.352CS..  trans-76.196.9174-66160.9000108.9I10 V12 P18 S19 R54 P68 A308 H311I10-L21 HydrophobicContact CG2-CB 3.82Å; I10-L21 HydrophobicContact CG2-CD2 3.57Å; I10-L21 HydrophobicContact CG2-CG 4.31Å; V12-L21 HydrophobicContact CG2-CD2 3.63Å; V12-L21 HydrophobicContact CG2-CG 4.48Å; P18-L21 WeakPolarHBondContact O-CB 3.32Å; P18-L21 PolarHBondContact O-N 3.28Å; P18-L21 VanDerWaalsContact O-N 3.1Å; S19-L21 PolarHBondContact O-N 3.2Å; L21-R54 HydrophobicContact CD2-CG 4.32Å; L21-R54 HydrophobicContact CG-CG 4.31Å; L21-P68 HydrophobicContact CD2-CG 3.81Å; L21-A308 HydrophobicContact CB-CB 4.4Å; L21-A308 HydrophobicContact CD1-CB 4.46Å; L21-H311 HydrophobicContact CD1-CB 3.88Å
22R98.6Very high97.8Very high153 Ų15361.9 Ų61.958%0.57735%0.351SS*.EExtended strand (participates in β ladder)trans-103131.8-178.5-60.1-58.4-173.3-158.9-0.5110.9I10 R11 S19 V20I10-R22 CarbonylContact C-O 3.51Å; I10-R22 WeakPolarHBondContact CA-O 3.46Å; R11-R22 PolarHBondContact N-O 3.18Å; R11-R22 PolarHBondContact O-N 3Å; S19-R22 PolarHBondContact O-NE 3.31Å; S19-R22 PolarHBondContact O-NH1 2.99Å; S19-R22 PolarHBondContact O-NH2 3.45Å; V20-R22 PolarHBondContact O-N 2.94Å; V20-R22 VanDerWaalsContact O-N 3.15Å
23L98.6Very high97.8Very high74 Ų7463.4 Ų63.439%0.38737%0.367SS..EExtended strand (participates in β ladder)trans-76.1123.7168.7-175.478.8000109.4R8 I10 L304 E305R8-L23 HydrophobicContact CB-CD1 4.31Å; I10-L23 HydrophobicContact CD1-CB 4.11Å; I10-L23 HydrophobicContact CD1-CD1 3.95Å; L23-L304 HydrophobicContact CD1-CD2 4.06Å; L23-L304 HydrophobicContact CD1-CG 4.15Å; L23-E305 HydrophobicContact CD1-CG 4.25Å; L23-E305 HydrophobicContact CD2-CB 4.22Å; L23-E305 HydrophobicContact CD2-CG 3.41Å; L23-E305 VanDerWaalsContact CD2-CG 3.41Å; L23-E305 HydrophobicContact CG-CG 4.37Å
24C98Very high97.8Very high39 Ų3965.1 Ų65.126%0.26437%0.365SS..EExtended strand (participates in β ladder)trans-111.4138.5168.8-62.50000108.8R8 A9 R11 V27R8-C24 CarbonylContact C-O 3.51Å; R8-C24 VanDerWaalsContact CA-O 3.26Å; R8-C24 WeakPolarHBondContact CA-O 3.16Å; A9-C24 PolarHBondContact N-O 3.23Å; A9-C24 PolarHBondContact O-N 2.69Å; R11-C24 HydrophobicContact CG-CB 3.92Å; R11-C24 VanDerWaalsContact CG-SG 3.58Å; C24-V27 HydrophobicContact CB-CG2 3.65Å
25S95.9Very high97.7Very high88 Ų8864.5 Ų64.562%0.61536%0.357SS*.EExtended strand (participates in β ladder)trans-102.7-4-17750.80000114.6M7M7-S25 CarbonylContact O-C 3.57Å
26D95.6Very high97.8Very high111 Ų11163.2 Ų63.259%0.59435%0.352SS*.EExtended strand (participates in β ladder)trans-122.728.9-170.761.3-24.9000112.3P28D26-P28 WeakPolarHBondContact O-CD 3.44Å
27V97.8Very high97.8Very high23 Ų2362.1 Ų62.114%0.13934%0.342CS..EExtended strand (participates in β ladder)trans-80.3125.6177.8-176.10000109.1M6 M7 A9 R11 C24 V29M6-V27 CarbonylContact C-O 3.43Å; M6-V27 WeakPolarHBondContact CA-O 3.4Å; M7-V27 HydrophobicContact CE-CB 4.4Å; M7-V27 HydrophobicContact CE-CG1 3.83Å; M7-V27 HydrophobicContact CG-CB 4.22Å; M7-V27 VanDerWaalsContact CG-O 3.24Å; M7-V27 WeakPolarHBondContact CG-O 3.4Å; M7-V27 PolarHBondContact N-O 2.91Å; M7-V27 PolarHBondContact O-N 3.24Å; M7-V27 VanDerWaalsContact O-N 3.15Å; A9-V27 HydrophobicContact CB-CB 4.33Å; A9-V27 HydrophobicContact CB-CG1 4.49Å; A9-V27 HydrophobicContact CB-CG2 4.1Å; R11-V27 HydrophobicContact CG-CG2 4.15Å; C24-V27 HydrophobicContact CB-CG2 3.65Å; V27-V29 PolarHBondContact O-N 3.16Å
28P97.7Very high97.9Very high72 Ų7259.9 Ų59.947%0.46832%0.321SS..EExtended strand (participates in β ladder)trans-59.6134.7175.4-25.535.2000111.9M6 D26 P30M6-P28 HydrophobicContact SD-CB 4.29Å; M6-P28 HydrophobicContact SD-CG 4.02Å; D26-P28 WeakPolarHBondContact O-CD 3.44Å; P28-P30 WeakPolarHBondContact O-CD 3.27Å
29V98.3Very high97.9Very high18 Ų1858.2 Ų58.211%0.10931%0.311CS..PPolyproline II helixtrans-64.8122172.5174.30000108.4R5 M7 V27 L38 Y105R5-V29 HydrophobicContact CB-CB 4.22Å; R5-V29 HydrophobicContact CB-CG2 4.07Å; R5-V29 HydrophobicContact CG-CB 4.44Å; R5-V29 HydrophobicContact CG-CG2 3.79Å; R5-V29 WeakPolarHBondContact O-CG2 3.38Å; R5-V29 PolarHBondContact O-N 3.26Å; M7-V29 HydrophobicContact CB-CG2 3.81Å; M7-V29 HydrophobicContact CG-CG2 3.98Å; M7-V29 HydrophobicContact SD-CG2 4.37Å; V27-V29 PolarHBondContact O-N 3.16Å; V29-L38 HydrophobicContact CG1-CD1 4.32Å; V29-L38 HydrophobicContact CG1-CD2 4.01Å; V29-Y105 HydrophobicContact CG1-CD1 4.19Å; V29-Y105 HydrophobicContact CG1-CD2 4.34Å; V29-Y105 HydrophobicContact CG1-CG 3.9Å; V29-Y105 HydrophobicContact CG2-CD2 3.9Å; V29-Y105 HydrophobicContact CG2-CG 4.25Å
30P96.9Very high97.9Very high35 Ų3560.4 Ų60.423%0.22731%0.309CS..PPolyproline II helixtrans-67.1148.3179.328-35.3000111.1P28 L38 V107P28-P30 WeakPolarHBondContact O-CD 3.27Å; P30-L38 HydrophobicContact CG-CD1 4.11Å; P30-L38 WeakPolarHBondContact O-CD1 3.29Å; P30-V107 HydrophobicContact CB-CG2 3.77Å; P30-V107 HydrophobicContact CG-CG2 3.76Å
31Q96.6Very high98Very high174 Ų17460 Ų6081%0.81331%0.306SS*.PPolyproline II helixtrans-96.4136.3172.8-64.5-174.96.400109.9G33Q31-G33 PolarHBondContact O-N 2.99Å
32P97.8Very high98Very high27 Ų2763.6 Ų63.618%0.17532%0.319CS..PPolyproline II helixtrans-74.7125.7175.730.6-30.3000110.2Q36 L38 A78P32-Q36 HydrophobicContact CB-CB 3.93Å; P32-Q36 WeakPolarHBondContact CB-O 3.24Å; P32-L38 HydrophobicContact CB-CB 4.21Å; P32-L38 HydrophobicContact CG-CB 3.8Å; P32-A78 HydrophobicContact CG-CB 4.05Å
33G97.8Very high98Very high32 Ų3256.3 Ų56.333%0.3329%0.292SS..  trans-88-160.7170.200000113.2Q31 R35 Q36 G80Q31-G33 PolarHBondContact O-N 2.99Å; G33-R35 PolarHBondContact O-N 3.17Å; G33-Q36 WeakPolarHBondContact O-CB 3.44Å; G33-Q36 PolarHBondContact O-N 3.42Å; G33-Q36 VanDerWaalsContact O-N 3.11Å; G33-G80 VanDerWaalsContact O-CA 3.31Å; G33-G80 WeakPolarHBondContact O-CA 3.24Å
34H98.1Very high98Very high120 Ų12052.8 Ų52.856%0.55627%0.273SS*.THydrogen-bonded Turntrans-55.7129.6179.3-174.678000111.8Q36 E81H34-Q36 PolarHBondContact O-N 3.48Å; H34-E81 CarbonylContact C-O 3.58Å; H34-E81 WeakPolarHBondContact CA-O 3.42Å; H34-E81 PolarHBondContact ND1-O 2.75Å
35R97.9Very high98Very high115 Ų11550.9 Ų50.943%0.43426%0.261SS..THydrogen-bonded Turntrans5629.5-177.8-65.2-172.663.9-156.2-11.9114.6G33 E81 A109 D110G33-R35 PolarHBondContact O-N 3.17Å; R35-E81 PolarHBondContact N-O 2.81Å; R35-A109 WeakPolarHBondContact O-CA 3.41Å; R35-D110 IonicContact CZ-OD1 3.73Å; R35-D110 IonicContact NE-OD1 2.74Å; R35-D110 PolarHBondContact NE-OD1 3.05Å; R35-D110 IonicContact NE-OD2 3.49Å; R35-D110 PolarHBondContact NE-OD2 3.36Å; R35-D110 IonicContact NH2-OD1 3.7Å; R35-D110 PolarHBondContact NH2-OD1 2.88Å; R35-D110 IonicContact NH2-OD2 3.95Å; R35-D110 PolarHBondContact O-N 2.81Å
36Q98.7Very high98.2Very high45 Ų4546.8 Ų46.821%0.2123%0.232CC..EExtended strand (participates in β ladder)trans-116.8151.6176.8-67.6178.8-23.800111.3P32 G33 H34 G80 Q98 V107 A108P32-Q36 HydrophobicContact CB-CB 3.93Å; P32-Q36 WeakPolarHBondContact CB-O 3.24Å; G33-Q36 WeakPolarHBondContact O-CB 3.44Å; G33-Q36 PolarHBondContact O-N 3.42Å; G33-Q36 VanDerWaalsContact O-N 3.11Å; H34-Q36 PolarHBondContact O-N 3.48Å; Q36-G80 PolarHBondContact O-N 3.2Å; Q36-Q98 VanDerWaalsContact CD-OE1 3.31Å; Q36-V107 HydrophobicContact CB-CG1 3.84Å; Q36-V107 HydrophobicContact CG-CG1 4.03Å; Q36-A108 CarbonylContact C-O 3.6Å; Q36-A108 WeakPolarHBondContact CA-O 3.47Å
37V98.8Very high98.3Very high0 Ų041.7 Ų41.70%021%0.205CC..EExtended strand (participates in β ladder)trans-124.9131.1178.5-176.60000108.2I39 V76 V79 V83 L86 V107 A108 D110 V113V37-I39 HydrophobicContact CG1-CG1 4.05Å; V37-V76 HydrophobicContact CG1-CB 4.3Å; V37-V76 HydrophobicContact CG1-CG1 3.65Å; V37-V76 HydrophobicContact CG1-CG2 3.84Å; V37-V79 HydrophobicContact CG1-CG1 4.31Å; V37-V79 HydrophobicContact CG2-CG1 4.42Å; V37-V83 HydrophobicContact CG2-CG1 4.06Å; V37-V83 HydrophobicContact CG2-CG2 4.24Å; V37-L86 HydrophobicContact CG2-CD1 3.89Å; V37-V107 WeakPolarHBondContact O-CA 3.47Å; V37-A108 PolarHBondContact N-O 3.1Å; V37-A108 PolarHBondContact O-N 3.03Å; V37-D110 HydrophobicContact CG2-CB 4.22Å; V37-V113 HydrophobicContact CB-CG2 4.32Å; V37-V113 HydrophobicContact CG2-CG2 4.45Å
38L98.8Very high98.2Very high9 Ų942.9 Ų42.95%0.04721%0.213CC..EExtended strand (participates in β ladder)trans-92122.8169.5-178.266.4000108.9V29 P30 P32 D77 A78 Y105 V107V29-L38 HydrophobicContact CG1-CD1 4.32Å; V29-L38 HydrophobicContact CG1-CD2 4.01Å; P30-L38 HydrophobicContact CG-CD1 4.11Å; P30-L38 WeakPolarHBondContact O-CD1 3.29Å; P32-L38 HydrophobicContact CB-CB 4.21Å; P32-L38 HydrophobicContact CG-CB 3.8Å; L38-D77 HydrophobicContact CD2-CB 4.28Å; L38-D77 HydrophobicContact CG-CB 4.25Å; L38-D77 PolarHBondContact O-N 2.92Å; L38-A78 HydrophobicContact CB-CB 4.23Å; L38-A78 HydrophobicContact CD2-CB 4.45Å; L38-A78 PolarHBondContact N-O 3.2Å; L38-A78 PolarHBondContact O-N 3.49Å; L38-Y105 HydrophobicContact CD1-CD1 4.15Å; L38-Y105 HydrophobicContact CD2-CD1 4.18Å; L38-Y105 HydrophobicContact CG-CD1 4.05Å; L38-V107 HydrophobicContact CD1-CG2 3.82Å
39I98.9Very high98Very high0 Ų040.7 Ų40.70%020%0.198CC..EExtended strand (participates in β ladder)trans-111.8125.3-177.5-58168.4000108V37 V41 V72 V92 T94 Y105 A106 A108 V113V37-I39 HydrophobicContact CG1-CG1 4.05Å; I39-V41 PolarHBondContact O-N 3.09Å; I39-V72 HydrophobicContact CD1-CG2 3.93Å; I39-V72 HydrophobicContact CG2-CG2 4.32Å; I39-V92 HydrophobicContact CD1-CG2 3.92Å; I39-V92 HydrophobicContact CG1-CG2 4Å; I39-V92 HydrophobicContact CG2-CG2 4.02Å; I39-T94 HydrophobicContact CD1-CG2 3.47Å; I39-T94 VanDerWaalsContact CD1-CG2 3.47Å; I39-Y105 VanDerWaalsContact O-CA 3.31Å; I39-Y105 WeakPolarHBondContact O-CA 3.4Å; I39-A106 PolarHBondContact N-O 2.91Å; I39-A106 PolarHBondContact O-N 2.91Å; I39-A108 HydrophobicContact CD1-CB 4.34Å; I39-V113 HydrophobicContact CD1-CG1 4.22Å; I39-V113 HydrophobicContact CD1-CG2 4.12Å
40R98.9Very high98Very high110 Ų11040.3 Ų40.342%0.41520%0.195SC..EExtended strand (participates in β ladder)trans-75.6103.7163.5-172.1-179.8-178.5-177.1-2.1108.1R42 G74 V75 D77 Y105R40-R42 VanDerWaalsContact CD-NH1 3.32Å; R40-G74 WeakPolarHBondContact O-CA 3.38Å; R40-V75 PolarHBondContact N-O 3.42Å; R40-V75 PolarHBondContact O-N 3.03Å; R40-D77 HydrophobicContact CB-CB 4.3Å; R40-Y105 HydrophobicContact CB-CD1 4.2Å; R40-Y105 HydrophobicContact CB-CE1 3.58Å; R40-Y105 VanDerWaalsContact CD-OH 3.22Å; R40-Y105 WeakPolarHBondContact CD-OH 3.29Å; R40-Y105 HydrophobicContact CG-CE1 3.77Å; R40-Y105 HydrophobicContact CG-CE2 4.31Å; R40-Y105 WeakPolarHBondContact CG-OH 3.35Å
41V98.9Very high98Very high2 Ų238.8 Ų38.81%0.01219%0.185CC..EExtended strand (participates in β ladder)trans-70.2140.5-173-175.60000109.7I39 A43 V72 A103 E104 A106 M328I39-V41 PolarHBondContact O-N 3.09Å; V41-A43 WeakPolarHBondContact CG1-O 3.32Å; V41-V72 HydrophobicContact CG1-CB 4.07Å; V41-V72 HydrophobicContact CG1-CG1 4.06Å; V41-V72 HydrophobicContact CG2-CB 4.11Å; V41-V72 HydrophobicContact CG2-CG1 3.93Å; V41-A103 VanDerWaalsContact CB-O 3.23Å; V41-A103 WeakPolarHBondContact CB-O 3.47Å; V41-A103 WeakPolarHBondContact CG2-O 3.44Å; V41-E104 PolarHBondContact N-O 3.28Å; V41-A106 HydrophobicContact CG2-CB 3.81Å; V41-M328 HydrophobicContact CB-CG 3.94Å; V41-M328 HydrophobicContact CB-SD 4.38Å; V41-M328 HydrophobicContact CG1-CE 4.16Å; V41-M328 HydrophobicContact CG1-CG 3.69Å; V41-M328 HydrophobicContact CG1-SD 4Å; V41-M328 WeakPolarHBondContact O-CG 3.47Å
42R98.9Very high97.9Very high88 Ų8832.9 Ų32.933%0.33216%0.156SC..EExtended strand (participates in β ladder)trans-114.3-36.4172.5-68.8-72.6-177.3-97.4-0.4111R40 A73 F122 M328R40-R42 VanDerWaalsContact CD-NH1 3.32Å; R42-A73 PolarHBondContact N-O 3.34Å; R42-F122 HydrophobicContact CB-CB 3.66Å; R42-F122 HydrophobicContact CB-CD1 4.37Å; R42-F122 HydrophobicContact CB-CD2 3.75Å; R42-F122 HydrophobicContact CB-CG 3.67Å; R42-F122 HydrophobicContact CG-CB 4.49Å; R42-F122 HydrophobicContact CG-CD1 4.47Å; R42-F122 HydrophobicContact CG-CD2 3.68Å; R42-F122 HydrophobicContact CG-CE2 3.95Å; R42-F122 HydrophobicContact CG-CG 3.97Å; R42-F122 HydrophobicContact CG-CZ 4.46Å; R42-M328 PolarHBondContact O-N 2.87Å
43A98.9Very high97.8Very high0 Ų032.2 Ų32.20%015%0.151CC..EExtended strand (participates in β ladder)trans-146.5149.5175.700000110.3V41 V72 A73 F122 T123 A126 V325 L326V41-A43 WeakPolarHBondContact CG1-O 3.32Å; A43-V72 CarbonylContact O-C 3.59Å; A43-V72 WeakPolarHBondContact O-CA 3.46Å; A43-A73 PolarHBondContact N-O 3.1Å; A43-A73 VanDerWaalsContact N-O 3.09Å; A43-A73 PolarHBondContact O-N 3.07Å; A43-F122 HydrophobicContact CB-CB 4.47Å; A43-T123 HydrophobicContact CB-CG2 4.15Å; A43-A126 HydrophobicContact CB-CB 3.67Å; A43-V325 HydrophobicContact CB-CG1 3.68Å; A43-L326 CarbonylContact C-O 3.59Å; A43-L326 WeakPolarHBondContact CA-O 3.44Å
44C98.9Very high97.8Very high0 Ų031.6 Ų31.60%014%0.139CC..EExtended strand (participates in β ladder)trans-130.6128.3170.2-171.80000110.4D71 V72 G101 Y102 L326 M328C44-D71 CarbonylContact C-O 3.58Å; C44-D71 VanDerWaalsContact CA-O 3.3Å; C44-D71 WeakPolarHBondContact CA-O 3.35Å; C44-V72 HydrophobicContact CB-CG1 4.31Å; C44-G101 WeakPolarHBondContact CB-O 3.47Å; C44-Y102 HydrophobicContact CB-CD1 4.13Å; C44-Y102 HydrophobicContact CB-CE1 4.45Å; C44-Y102 VanDerWaalsContact SG-CD1 3.56Å; C44-L326 PolarHBondContact N-O 3.15Å; C44-L326 PolarHBondContact O-N 3.03Å; C44-M328 HydrophobicContact CB-CE 4.18Å
45G98.8Very high97.8Very high0 Ų028 Ų280%013%0.127CC..EExtended strand (participates in β ladder)trans-69.2143.1174.900000111.4D71 A126 K323G45-D71 PolarHBondContact N-O 3.24Å; G45-A126 VanDerWaalsContact CA-O 3.28Å; G45-A126 WeakPolarHBondContact CA-O 3.35Å; G45-A126 PolarHBondContact N-O 3.23Å; G45-K323 VanDerWaalsContact CA-CE 3.42Å
46V98.6Very high97.6Very high1 Ų123.4 Ų23.41%0.00612%0.115CC..  trans-96.2131.4171-176.70000108.8Y102 A310 I314 K323 I324 L326V46-Y102 WeakPolarHBondContact CG1-OH 3.47Å; V46-A310 HydrophobicContact CG2-CB 4.15Å; V46-I314 HydrophobicContact CB-CD1 4.22Å; V46-I314 HydrophobicContact CG1-CD1 3.73Å; V46-I314 HydrophobicContact CG1-CG2 4.37Å; V46-I314 WeakPolarHBondContact O-CD1 3.43Å; V46-K323 WeakPolarHBondContact O-CE 3.13Å; V46-K323 PolarHBondContact O-NZ 3.08Å; V46-I324 HydrophobicContact CB-CB 4.19Å; V46-I324 HydrophobicContact CB-CG2 3.99Å; V46-I324 HydrophobicContact CG2-CG2 3.86Å; V46-I324 PolarHBondContact N-O 2.77Å; V46-L326 HydrophobicContact CG2-CD1 4.22Å; V46-L326 HydrophobicContact CG2-CD2 4.31Å; V46-L326 HydrophobicContact CG2-CG 3.76Å
47N97.8Very high97.3Very high5 Ų525.6 Ų25.63%0.02714%0.135CC..  trans-119.2143179-67.9-68000111.1V49 E50 D71 K323N47-V49 HydrophobicContact CB-CG1 3.92Å; N47-V49 PolarHBondContact O-N 3.06Å; N47-V49 VanDerWaalsContact O-N 3.14Å; N47-E50 HydrophobicContact CB-CG 4.32Å; N47-E50 PolarHBondContact N-OE2 2.84Å; N47-E50 PolarHBondContact ND2-OE1 3.31Å; N47-E50 VanDerWaalsContact ND2-OE1 3.09Å; N47-E50 WeakPolarHBondContact O-CB 3.48Å; N47-E50 PolarHBondContact O-N 3.34Å; N47-D71 PolarHBondContact ND2-OD2 3.18Å; N47-D71 PolarHBondContact OD1-OD2 3.2Å; N47-K323 PolarHBondContact ND2-NZ 3.1Å; N47-K323 PolarHBondContact OD1-NZ 3.44Å
48P95.8Very high96.9Very high48 Ų4829.7 Ų29.731%0.31215%0.151SC..Hα-helixtrans-55.3-35.1175.7-26.635.5000113.2E50 T51 Y52 I314P48-E50 PolarHBondContact O-N 3.04Å; P48-T51 WeakPolarHBondContact O-CB 3.09Å; P48-T51 PolarHBondContact O-N 3.06Å; P48-T51 PolarHBondContact O-OG1 2.91Å; P48-Y52 HydrophobicContact CB-CE2 4.3Å; P48-Y52 PolarHBondContact O-N 2.94Å; P48-I314 HydrophobicContact CG-CD1 4.04Å; P48-I314 HydrophobicContact CG-CG1 4.29Å
49V94.2Very high96.4Very high25 Ų2534.1 Ų34.115%0.15219%0.189CC..Hα-helixtrans-60.1-31.7178.770.20000113.1N47 T51 Y52 I53 Y58N47-V49 HydrophobicContact CB-CG1 3.92Å; N47-V49 PolarHBondContact O-N 3.06Å; N47-V49 VanDerWaalsContact O-N 3.14Å; V49-T51 PolarHBondContact O-N 3.16Å; V49-Y52 PolarHBondContact O-N 3.47Å; V49-I53 HydrophobicContact CG2-CD1 4.12Å; V49-I53 HydrophobicContact CG2-CG1 4.47Å; V49-I53 WeakPolarHBondContact O-CG1 3.46Å; V49-I53 PolarHBondContact O-N 2.81Å; V49-Y58 HydrophobicContact CG2-CD1 4.04Å; V49-Y58 HydrophobicContact CG2-CD2 4.42Å; V49-Y58 HydrophobicContact CG2-CE1 3.61Å; V49-Y58 HydrophobicContact CG2-CE2 4.03Å; V49-Y58 HydrophobicContact CG2-CG 4.43Å
50E97Very high95.9Very high10 Ų1040.7 Ų40.75%0.04721%0.214CC..Hα-helixtrans-68.1-27.7177.2-67.7148.4-175.800111.2N47 P48 R54 S70 Y102N47-E50 HydrophobicContact CB-CG 4.32Å; N47-E50 PolarHBondContact N-OE2 2.84Å; N47-E50 PolarHBondContact ND2-OE1 3.31Å; N47-E50 VanDerWaalsContact ND2-OE1 3.09Å; N47-E50 WeakPolarHBondContact O-CB 3.48Å; N47-E50 PolarHBondContact O-N 3.34Å; P48-E50 PolarHBondContact O-N 3.04Å; E50-R54 VanDerWaalsContact O-CB 3.23Å; E50-R54 WeakPolarHBondContact O-CB 3.21Å; E50-R54 PolarHBondContact O-N 3.21Å; E50-S70 PolarHBondContact OE1-N 3.48Å; E50-Y102 PolarHBondContact OE2-OH 3.11Å
51T96.9Very high95.6Very high4 Ų442.2 Ų42.23%0.02522%0.223CC..Hα-helixtrans-69.5-37173.778.70000111.9P48 V49 R54 S55 H311 I314 I315P48-T51 WeakPolarHBondContact O-CB 3.09Å; P48-T51 PolarHBondContact O-N 3.06Å; P48-T51 PolarHBondContact O-OG1 2.91Å; V49-T51 PolarHBondContact O-N 3.16Å; T51-R54 PolarHBondContact O-N 3.4Å; T51-R54 PolarHBondContact O-NH2 3.34Å; T51-S55 PolarHBondContact O-N 3.37Å; T51-S55 PolarHBondContact O-OG 2.88Å; T51-S55 VanDerWaalsContact O-OG 3.12Å; T51-H311 HydrophobicContact CG2-CB 4.36Å; T51-I314 HydrophobicContact CG2-CG2 3.62Å; T51-I315 HydrophobicContact CG2-CD1 4.13Å; T51-I315 HydrophobicContact CG2-CG1 4.03Å
52Y94.6Very high95.5Very high49 Ų4943.5 Ų43.519%0.19223%0.232CC..Hα-helixtrans-74.4-37.8179.6-46.4-30.1000111.4P48 V49 S55 G56 S57 Y58 R248 I315P48-Y52 HydrophobicContact CB-CE2 4.3Å; P48-Y52 PolarHBondContact O-N 2.94Å; V49-Y52 PolarHBondContact O-N 3.47Å; Y52-S55 WeakPolarHBondContact CA-OG 3.39Å; Y52-S55 PolarHBondContact O-OG 3.2Å; Y52-G56 PolarHBondContact O-N 3.17Å; Y52-S57 PolarHBondContact O-N 2.75Å; Y52-S57 VanDerWaalsContact O-N 3.13Å; Y52-S57 PolarHBondContact O-OG 3.16Å; Y52-Y58 HydrophobicContact CD2-CD2 4.32Å; Y52-Y58 PolarHBondContact O-N 3.15Å; Y52-R248 PolarHBondContact OH-NE 2.98Å; Y52-I315 HydrophobicContact CE1-CD1 4.18Å
53I96.4Very high95.4Very high14 Ų1445.4 Ų45.47%0.07225%0.254CS..Hα-helixtrans-63.9-46172.2-67.6167.1000109.6F15 V49 S55 G56 Y58 P62 Y66F15-I53 WeakPolarHBondContact CD1-O 3.24Å; V49-I53 HydrophobicContact CG2-CD1 4.12Å; V49-I53 HydrophobicContact CG2-CG1 4.47Å; V49-I53 WeakPolarHBondContact O-CG1 3.46Å; V49-I53 PolarHBondContact O-N 2.81Å; I53-S55 PolarHBondContact O-N 2.96Å; I53-G56 PolarHBondContact O-N 3.1Å; I53-G56 VanDerWaalsContact O-N 3.08Å; I53-Y58 HydrophobicContact CD1-CD1 4.25Å; I53-Y58 HydrophobicContact CG1-CD1 3.69Å; I53-Y58 HydrophobicContact CG1-CG 4.17Å; I53-P62 HydrophobicContact CG2-CG 3.63Å; I53-Y66 HydrophobicContact CG2-CE2 4.3Å
54R98.1Very high95.3Very high19 Ų1948.4 Ų48.47%0.07227%0.269CS..Hα-helixtrans-60.9-40.3177.1-178.1-140.961.8-130.3-13.1112.8F15 G16 V20 L21 E50 T51 G56 Y66 H311F15-R54 WeakPolarHBondContact CA-O 3.49Å; G16-R54 PolarHBondContact N-O 2.94Å; G16-R54 PolarHBondContact O-NE 2.98Å; V20-R54 HydrophobicContact CG2-CG 3.63Å; L21-R54 HydrophobicContact CD2-CG 4.32Å; L21-R54 HydrophobicContact CG-CG 4.31Å; E50-R54 VanDerWaalsContact O-CB 3.23Å; E50-R54 WeakPolarHBondContact O-CB 3.21Å; E50-R54 PolarHBondContact O-N 3.21Å; T51-R54 PolarHBondContact O-N 3.4Å; T51-R54 PolarHBondContact O-NH2 3.34Å; R54-G56 PolarHBondContact O-N 2.91Å; R54-Y66 WeakPolarHBondContact CA-OH 3.47Å; R54-H311 PolarHBondContact NH1-ND1 2.94Å
55S97.1Very high95.3Very high45 Ų4551.8 Ų51.832%0.31529%0.291SS..Hα-helixtrans-73.8-11.2175.852.90000114.1G16 T51 Y52 I53 S57G16-S55 WeakPolarHBondContact O-CA 3.48Å; T51-S55 PolarHBondContact O-N 3.37Å; T51-S55 PolarHBondContact O-OG 2.88Å; T51-S55 VanDerWaalsContact O-OG 3.12Å; Y52-S55 WeakPolarHBondContact CA-OG 3.39Å; Y52-S55 PolarHBondContact O-OG 3.2Å; I53-S55 PolarHBondContact O-N 2.96Å; S55-S57 PolarHBondContact O-N 3.02Å; S55-S57 PolarHBondContact OG-OG 3.16Å
56G95.2Very high95.3Very high17 Ų1753 Ų5318%0.17530%0.296CS..THydrogen-bonded Turntrans75.710.3-176.400000114.3Y52 I53 R54 K61Y52-G56 PolarHBondContact O-N 3.17Å; I53-G56 PolarHBondContact O-N 3.1Å; I53-G56 VanDerWaalsContact O-N 3.08Å; R54-G56 PolarHBondContact O-N 2.91Å; G56-K61 WeakPolarHBondContact O-CE 3.45Å
57S91.3Very high95.3Very high91 Ų9153.5 Ų53.564%0.63630%0.299SS*.  trans-93-0.1-178.9590000113.7Y52 S55Y52-S57 PolarHBondContact O-N 2.75Å; Y52-S57 VanDerWaalsContact O-N 3.13Å; Y52-S57 PolarHBondContact O-OG 3.16Å; S55-S57 PolarHBondContact O-N 3.02Å; S55-S57 PolarHBondContact OG-OG 3.16Å
58Y90.7Very high95.3Very high86 Ų8653.6 Ų53.634%0.33730%0.3SS..SBendtrans-95.3156.3175.6-157.6-118.9000112.1V49 Y52 I53 R60V49-Y58 HydrophobicContact CG2-CD1 4.04Å; V49-Y58 HydrophobicContact CG2-CD2 4.42Å; V49-Y58 HydrophobicContact CG2-CE1 3.61Å; V49-Y58 HydrophobicContact CG2-CE2 4.03Å; V49-Y58 HydrophobicContact CG2-CG 4.43Å; Y52-Y58 HydrophobicContact CD2-CD2 4.32Å; Y52-Y58 PolarHBondContact O-N 3.15Å; I53-Y58 HydrophobicContact CD1-CD1 4.25Å; I53-Y58 HydrophobicContact CG1-CD1 3.69Å; I53-Y58 HydrophobicContact CG1-CG 4.17Å; Y58-R60 VanDerWaalsContact C-N 3.29Å; Y58-R60 HydrophobicContact CD1-CB 3.92Å; Y58-R60 HydrophobicContact CE1-CB 4.31Å; Y58-R60 PolarHBondContact O-N 3.19Å
59A88.2Confident95.4Very high102 Ų10251.7 Ų51.784%0.84329%0.289SS*.SBendtrans-61.7-37.2179.900000112.4K61A59-K61 PolarHBondContact O-N 3.16Å
60R88.5Confident95.6Very high139 Ų13951.3 Ų51.353%0.52529%0.288SS..  trans-78119.6173.1-176.8-176.3177.9-167.8-0.8110Y58Y58-R60 VanDerWaalsContact C-N 3.29Å; Y58-R60 HydrophobicContact CD1-CB 3.92Å; Y58-R60 HydrophobicContact CE1-CB 4.31Å; Y58-R60 PolarHBondContact O-N 3.19Å
61K93.6Very high95.7Very high141 Ų14150.8 Ų50.861%0.61329%0.285SS*.  trans-119.3101.5174.6-66.6-177.3178.5-177.90110.4F15 G56 A59F15-K61 HydrophobicContact CZ-CB 4.3Å; G56-K61 WeakPolarHBondContact O-CE 3.45Å; A59-K61 PolarHBondContact O-N 3.16Å
62P95.3Very high95.7Very high29 Ų2950.6 Ų50.619%0.18828%0.284CS..PPolyproline II helixtrans-63.4151.1175.8-20.932.5000112.2I53 L64 Y66I53-P62 HydrophobicContact CG2-CG 3.63Å; P62-L64 PolarHBondContact O-N 3.4Å; P62-Y66 HydrophobicContact CB-CD1 3.8Å; P62-Y66 HydrophobicContact CB-CD2 4.03Å; P62-Y66 HydrophobicContact CB-CE1 4.3Å; P62-Y66 HydrophobicContact CB-CG 3.68Å; P62-Y66 HydrophobicContact CG-CD1 4.25Å; P62-Y66 HydrophobicContact CG-CD2 4.06Å; P62-Y66 HydrophobicContact CG-CE1 4.28Å; P62-Y66 HydrophobicContact CG-CE2 4.1Å; P62-Y66 HydrophobicContact CG-CG 4.16Å
63T97.3Very high96Very high129 Ų12948.3 Ų48.379%0.79128%0.275SS*.PPolyproline II helixtrans-64.9129.1169.2-55.30000109.9P65T63-P65 CarbonylContact O-C 3.48Å
64L97.9Very high96.1Very high62 Ų6247.6 Ų47.633%0.32527%0.272SS..SBendtrans-83.6144.1177.3-62.9164.4000110.4V12 F15 P62 Y66V12-L64 HydrophobicContact CG1-CD2 4.09Å; V12-L64 VanDerWaalsContact O-CD2 3.28Å; V12-L64 WeakPolarHBondContact O-CD2 3.49Å; F15-L64 HydrophobicContact CD1-CD2 4.5Å; F15-L64 HydrophobicContact CD2-CD1 3.91Å; F15-L64 HydrophobicContact CE1-CD2 4.18Å; F15-L64 HydrophobicContact CE2-CD1 3.69Å; F15-L64 HydrophobicContact CE2-CD2 4.43Å; F15-L64 HydrophobicContact CE2-CG 4.12Å; F15-L64 HydrophobicContact CZ-CD1 4.18Å; F15-L64 HydrophobicContact CZ-CD2 4.14Å; F15-L64 HydrophobicContact CZ-CG 4.1Å; P62-L64 PolarHBondContact O-N 3.4Å; L64-Y66 HydrophobicContact CD2-CD1 3.82Å; L64-Y66 HydrophobicContact CD2-CE1 3.94Å
65P97.5Very high96.1Very high72 Ų7248.3 Ų48.347%0.46828%0.278SS..SBendcis-77.9143.9-8.529.9-32000112.8R11 V12 T63R11-P65 PolarHBondContact NH2-O 2.83Å; V12-P65 WeakPolarHBondContact O-CA 3.23Å; T63-P65 CarbonylContact O-C 3.48Å
66Y98.5Very high96.2Very high25 Ų2546.3 Ų46.310%0.09826%0.264CS..BIsolated β-bridgetrans-127.4167.3174.578.6-78.8000112.9R11 V12 F15 I53 R54 P62 L64 P68R11-Y66 WeakPolarHBondContact CA-O 3.33Å; V12-Y66 HydrophobicContact CB-CD1 3.98Å; V12-Y66 HydrophobicContact CB-CE1 3.55Å; V12-Y66 HydrophobicContact CG1-CD1 4.3Å; V12-Y66 HydrophobicContact CG1-CE1 3.55Å; V12-Y66 HydrophobicContact CG2-CE1 4.24Å; V12-Y66 PolarHBondContact N-O 3.41Å; V12-Y66 PolarHBondContact O-N 2.91Å; V12-Y66 VanDerWaalsContact O-N 3.08Å; F15-Y66 HydrophobicContact CE1-CE1 4.15Å; I53-Y66 HydrophobicContact CG2-CE2 4.3Å; R54-Y66 WeakPolarHBondContact CA-OH 3.47Å; P62-Y66 HydrophobicContact CB-CD1 3.8Å; P62-Y66 HydrophobicContact CB-CD2 4.03Å; P62-Y66 HydrophobicContact CB-CE1 4.3Å; P62-Y66 HydrophobicContact CB-CG 3.68Å; P62-Y66 HydrophobicContact CG-CD1 4.25Å; P62-Y66 HydrophobicContact CG-CD2 4.06Å; P62-Y66 HydrophobicContact CG-CE1 4.28Å; P62-Y66 HydrophobicContact CG-CE2 4.1Å; P62-Y66 HydrophobicContact CG-CG 4.16Å; L64-Y66 HydrophobicContact CD2-CD1 3.82Å; L64-Y66 HydrophobicContact CD2-CE1 3.94Å; Y66-P68 HydrophobicContact CD2-CG 4.48Å; Y66-P68 HydrophobicContact CE2-CB 4.15Å; Y66-P68 HydrophobicContact CE2-CG 3.8Å
67T98.8Very high96.4Very high12 Ų1248.5 Ų48.57%0.07427%0.271CS..  trans-110.4127.5171-67.50000109.3I10 R11 S99 G100 A103I10-T67 WeakPolarHBondContact O-CA 3.22Å; I10-T67 WeakPolarHBondContact O-CB 3.09Å; I10-T67 VanDerWaalsContact O-CG2 3.3Å; I10-T67 WeakPolarHBondContact O-CG2 3.32Å; I10-T67 PolarHBondContact O-OG1 3.32Å; R11-T67 VanDerWaalsContact CD-OG1 3.25Å; R11-T67 WeakPolarHBondContact CD-OG1 3.33Å; R11-T67 PolarHBondContact NH1-OG1 3.06Å; T67-S99 WeakPolarHBondContact CB-O 3.42Å; T67-G100 VanDerWaalsContact O-CA 3.23Å; T67-G100 WeakPolarHBondContact O-CA 3.49Å; T67-A103 HydrophobicContact CG2-CB 4.25Å
68P98.6Very high96.7Very high6 Ų645.7 Ų45.74%0.03925%0.254CS..  trans-73.6174.6177.4-15.229.4000113.9V12 L21 Y66 G100 G101 Y102V12-P68 HydrophobicContact CG2-CG 3.91Å; L21-P68 HydrophobicContact CD2-CG 3.81Å; Y66-P68 HydrophobicContact CD2-CG 4.48Å; Y66-P68 HydrophobicContact CE2-CB 4.15Å; Y66-P68 HydrophobicContact CE2-CG 3.8Å; P68-G100 CarbonylContact O-C 3.52Å; P68-G101 PolarHBondContact O-N 3.23Å; P68-Y102 HydrophobicContact CB-CD2 3.72Å; P68-Y102 HydrophobicContact CB-CE2 3.81Å; P68-Y102 HydrophobicContact CB-CG 4.21Å; P68-Y102 HydrophobicContact CG-CD2 3.98Å; P68-Y102 HydrophobicContact CG-CE2 4.3Å; P68-Y102 WeakPolarHBondContact O-CB 3.48Å; P68-Y102 PolarHBondContact O-N 2.94Å
69G98.1Very high97.1Very high9 Ų944.2 Ų44.29%0.09325%0.254CS..  trans102.9123.6168.400000114.6T97 G101G69-T97 PolarHBondContact O-OG1 3.48Å; G69-G101 PolarHBondContact O-N 2.64Å
70S98Very high97.6Very high16 Ų1640 Ų4011%0.11222%0.22CC..SBendtrans-105.4-27.4175.857.70000114.7E50 V72 T94 A96 I130E50-S70 PolarHBondContact OE1-N 3.48Å; S70-V72 PolarHBondContact O-N 2.87Å; S70-T94 PolarHBondContact O-OG1 2.93Å; S70-A96 PolarHBondContact O-N 3.41Å; S70-I130 WeakPolarHBondContact OG-CG1 3.34Å
71D98.4Very high98Very high0 Ų040.8 Ų40.80%023%0.23CC..EExtended strand (participates in β ladder)trans-103.266.8-164.4-62.3-6.8000111C44 G45 N47 A126 I130 P131 K323C44-D71 CarbonylContact C-O 3.58Å; C44-D71 VanDerWaalsContact CA-O 3.3Å; C44-D71 WeakPolarHBondContact CA-O 3.35Å; G45-D71 PolarHBondContact N-O 3.24Å; N47-D71 PolarHBondContact ND2-OD2 3.18Å; N47-D71 PolarHBondContact OD1-OD2 3.2Å; D71-A126 WeakPolarHBondContact CB-O 3.36Å; D71-I130 VanDerWaalsContact OD1-CG1 3.26Å; D71-I130 WeakPolarHBondContact OD1-CG1 3.26Å; D71-I130 PolarHBondContact OD1-N 3.39Å; D71-I130 PolarHBondContact OD2-N 2.71Å; D71-P131 WeakPolarHBondContact OD2-CD 3.18Å; D71-K323 IonicContact OD2-NZ 3.31Å; D71-K323 PolarHBondContact OD2-NZ 3.23Å; D71-K323 VanDerWaalsContact OD2-NZ 3.08Å
72V98.8Very high98.2Very high0 Ų036.1 Ų36.10%022%0.222CC..EExtended strand (participates in β ladder)trans-81.9150.2175.8-55.80000110.5I39 V41 A43 C44 S70 F93 T94 T97 A106I39-V72 HydrophobicContact CD1-CG2 3.93Å; I39-V72 HydrophobicContact CG2-CG2 4.32Å; V41-V72 HydrophobicContact CG1-CB 4.07Å; V41-V72 HydrophobicContact CG1-CG1 4.06Å; V41-V72 HydrophobicContact CG2-CB 4.11Å; V41-V72 HydrophobicContact CG2-CG1 3.93Å; A43-V72 CarbonylContact O-C 3.59Å; A43-V72 WeakPolarHBondContact O-CA 3.46Å; C44-V72 HydrophobicContact CB-CG1 4.31Å; S70-V72 PolarHBondContact O-N 2.87Å; V72-F93 CarbonylContact O-C 3.57Å; V72-F93 WeakPolarHBondContact O-CA 3.24Å; V72-T94 HydrophobicContact CG2-CG2 3.49Å; V72-T94 VanDerWaalsContact CG2-CG2 3.49Å; V72-T94 VanDerWaalsContact CG2-OG1 3.25Å; V72-T94 WeakPolarHBondContact CG2-OG1 3.38Å; V72-T94 PolarHBondContact N-OG1 3.44Å; V72-T94 PolarHBondContact O-N 3.4Å; V72-T94 PolarHBondContact O-OG1 2.73Å; V72-T97 HydrophobicContact CG1-CG2 3.95Å; V72-T97 HydrophobicContact CG2-CG2 4.09Å; V72-A106 HydrophobicContact CG1-CB 4.24Å
73A98.9Very high98.3Very high0 Ų035.6 Ų35.60%022%0.218CC..EExtended strand (participates in β ladder)trans-133.5142.5158.400000109.9R42 A43 V92 F93 F122 A126R42-A73 PolarHBondContact N-O 3.34Å; A43-A73 PolarHBondContact N-O 3.1Å; A43-A73 VanDerWaalsContact N-O 3.09Å; A43-A73 PolarHBondContact O-N 3.07Å; A73-V92 CarbonylContact C-O 3.54Å; A73-V92 WeakPolarHBondContact CA-O 3.28Å; A73-F93 HydrophobicContact CB-CB 3.94Å; A73-F122 HydrophobicContact CB-CB 4.29Å; A73-F122 HydrophobicContact CB-CD1 4.3Å; A73-F122 WeakPolarHBondContact CB-O 3.46Å; A73-A126 HydrophobicContact CB-CB 4.13Å; A73-A126 VanDerWaalsContact CB-N 3.35Å
74G98.9Very high98.2Very high0 Ų036 Ų360%022%0.22CC..EExtended strand (participates in β ladder)trans176.2-154.5-172.200000112.3R40 V92 F122R40-G74 WeakPolarHBondContact O-CA 3.38Å; G74-V92 PolarHBondContact N-O 2.94Å; G74-V92 PolarHBondContact O-N 2.74Å; G74-F122 WeakPolarHBondContact O-CE1 3.42Å
75V98.9Very high98.1Very high33 Ų3336.5 Ų36.520%0.223%0.233CC..EExtended strand (participates in β ladder)trans-118.1135.3-176.8-177.20000108.7R40 D77 D90 F122R40-V75 PolarHBondContact N-O 3.42Å; R40-V75 PolarHBondContact O-N 3.03Å; V75-D77 PolarHBondContact O-N 3.41Å; V75-D90 CarbonylContact C-O 3.5Å; V75-D90 WeakPolarHBondContact CA-O 3.42Å; V75-F122 HydrophobicContact CG2-CE1 4.22Å; V75-F122 HydrophobicContact CG2-CZ 3.69Å
76V98.9Very high98.1Very high3 Ų333.9 Ų33.92%0.01822%0.215CC..EExtended strand (participates in β ladder)trans-61.3120.6172.5178.50000109V37 V79 K87 A88 G89 D90 V92V37-V76 HydrophobicContact CG1-CB 4.3Å; V37-V76 HydrophobicContact CG1-CG1 3.65Å; V37-V76 HydrophobicContact CG1-CG2 3.84Å; V76-V79 HydrophobicContact CG1-CG1 3.71Å; V76-K87 VanDerWaalsContact CB-O 3.29Å; V76-K87 WeakPolarHBondContact CB-O 3.27Å; V76-K87 WeakPolarHBondContact CG1-O 3.12Å; V76-A88 CarbonylContact O-C 3.53Å; V76-A88 WeakPolarHBondContact O-CA 3.24Å; V76-G89 PolarHBondContact O-N 3.13Å; V76-D90 HydrophobicContact CB-CB 4.44Å; V76-D90 HydrophobicContact CG2-CB 4.01Å; V76-D90 PolarHBondContact N-O 3.24Å; V76-V92 HydrophobicContact CG2-CB 4.45Å; V76-V92 HydrophobicContact CG2-CG1 3.68Å; V76-V92 HydrophobicContact CG2-CG2 3.87Å
77D98.6Very high98.1Very high63 Ų6338.6 Ų38.634%0.33724%0.236SC..EExtended strand (participates in β ladder)trans-91.1-44.2177.6-165.490.6000110R5 L38 R40 V75 Y105R5-D77 IonicContact NH1-OD1 2.94Å; L38-D77 HydrophobicContact CD2-CB 4.28Å; L38-D77 HydrophobicContact CG-CB 4.25Å; L38-D77 PolarHBondContact O-N 2.92Å; R40-D77 HydrophobicContact CB-CB 4.3Å; V75-D77 PolarHBondContact O-N 3.41Å; D77-Y105 HydrophobicContact CB-CD1 4.41Å; D77-Y105 HydrophobicContact CB-CE1 3.88Å; D77-Y105 WeakPolarHBondContact OD1-CE1 3.27Å; D77-Y105 PolarHBondContact OD1-OH 2.99Å
78A98.5Very high98.1Very high32 Ų3241 Ų4126%0.26426%0.257SS..EExtended strand (participates in β ladder)trans-150157.417600000111.4P32 L38P32-A78 HydrophobicContact CG-CB 4.05Å; L38-A78 HydrophobicContact CB-CB 4.23Å; L38-A78 HydrophobicContact CD2-CB 4.45Å; L38-A78 PolarHBondContact N-O 3.2Å; L38-A78 PolarHBondContact O-N 3.49Å
79V98.6Very high98.1Very high56 Ų5643.2 Ų43.234%0.33928%0.281SS..EExtended strand (participates in β ladder)trans-121.4142.7172.2-61.60000109.2V37 V76 V83 L86V37-V79 HydrophobicContact CG1-CG1 4.31Å; V37-V79 HydrophobicContact CG2-CG1 4.42Å; V76-V79 HydrophobicContact CG1-CG1 3.71Å; V79-V83 HydrophobicContact CB-CB 4.04Å; V79-V83 HydrophobicContact CB-CG1 4.07Å; V79-V83 HydrophobicContact CB-CG2 4.49Å; V79-V83 HydrophobicContact CG1-CG1 4.03Å; V79-L86 HydrophobicContact CG1-CB 4.46Å
80G98.1Very high98.2Very high13 Ų1343.8 Ų43.813%0.13428%0.282CS..  trans-87.9177.9172.800000112.7G33 Q36 V83G33-G80 VanDerWaalsContact O-CA 3.31Å; G33-G80 WeakPolarHBondContact O-CA 3.24Å; Q36-G80 PolarHBondContact O-N 3.2Å; G80-V83 WeakPolarHBondContact O-CG2 3.36Å; G80-V83 PolarHBondContact O-N 3.31Å
81E97.8Very high98.2Very high156 Ų15645.8 Ų45.873%0.72929%0.287SS*.THydrogen-bonded Turntrans-58141.1-177.8-172-179174.700112.2H34 R35 V83H34-E81 CarbonylContact C-O 3.58Å; H34-E81 WeakPolarHBondContact CA-O 3.42Å; H34-E81 PolarHBondContact ND1-O 2.75Å; R35-E81 PolarHBondContact N-O 2.81Å; E81-V83 VanDerWaalsContact C-N 3.28Å; E81-V83 PolarHBondContact O-N 2.77Å
82G96.9Very high98.2Very high43 Ų4345.8 Ų45.844%0.44329%0.287SS..THydrogen-bonded Turntrans83.9-7.7177.500000115.2T84G82-T84 PolarHBondContact O-N 3.31Å
83V98Very high98.2Very high18 Ų1846 Ų4611%0.10929%0.288CS..  trans-79.8117172.5-178.50000109.8V37 V79 G80 E81 L86 D110V37-V83 HydrophobicContact CG2-CG1 4.06Å; V37-V83 HydrophobicContact CG2-CG2 4.24Å; V79-V83 HydrophobicContact CB-CB 4.04Å; V79-V83 HydrophobicContact CB-CG1 4.07Å; V79-V83 HydrophobicContact CB-CG2 4.49Å; V79-V83 HydrophobicContact CG1-CG1 4.03Å; G80-V83 WeakPolarHBondContact O-CG2 3.36Å; G80-V83 PolarHBondContact O-N 3.31Å; E81-V83 VanDerWaalsContact C-N 3.28Å; E81-V83 PolarHBondContact O-N 2.77Å; V83-L86 HydrophobicContact CG1-CB 4.01Å; V83-D110 HydrophobicContact CG1-CB 4.32Å; V83-D110 HydrophobicContact CG2-CB 3.99Å
84T96.3Very high98.2Very high137 Ų13746 Ų4684%0.8429%0.288SS*.  trans-117.2-21.7-177.658.80000114.2G82G82-T84 PolarHBondContact O-N 3.31Å
85A95.5Very high98.1Very high73 Ų7346.8 Ų46.860%0.60329%0.293SS*.SBendtrans-86.6-12.7-175.300000114.4K115A85-K115 WeakPolarHBondContact O-CE 3.29Å; A85-K115 PolarHBondContact O-NZ 2.96Å
86L98.1Very high98Very high16 Ų1646.6 Ų46.68%0.08430%0.295CS..  trans-132.6150.3-172.6-64.7168.6000110.5V37 V79 V83 V92 V113 K115V37-L86 HydrophobicContact CG2-CD1 3.89Å; V79-L86 HydrophobicContact CG1-CB 4.46Å; V83-L86 HydrophobicContact CG1-CB 4.01Å; L86-V92 HydrophobicContact CD2-CG1 3.9Å; L86-V113 HydrophobicContact CD1-CB 3.72Å; L86-V113 HydrophobicContact CD1-CG1 3.57Å; L86-K115 HydrophobicContact CD2-CG 4.04Å
87K98.2Very high98Very high125 Ų12547.3 Ų47.354%0.54330%0.299SS..  trans-143162.9175.365.6-176.4-173.8-55.70111.4V76 G89 D90V76-K87 VanDerWaalsContact CB-O 3.29Å; V76-K87 WeakPolarHBondContact CB-O 3.27Å; V76-K87 WeakPolarHBondContact CG1-O 3.12Å; K87-G89 PolarHBondContact O-N 3.16Å; K87-D90 PolarHBondContact N-OD2 2.88Å; K87-D90 IonicContact NZ-OD1 3.54Å; K87-D90 PolarHBondContact NZ-OD1 2.75Å; K87-D90 IonicContact NZ-OD2 3.63Å; K87-D90 VanDerWaalsContact O-CB 3.31Å; K87-D90 WeakPolarHBondContact O-CB 3.36Å; K87-D90 PolarHBondContact O-N 3.27Å; K87-D90 VanDerWaalsContact O-N 3.13Å
88A98.5Very high97.9Very high61 Ų6149.7 Ų49.750%0.50431%0.308SS..THydrogen-bonded Turntrans-52.4138172.900000111.7V76 D90V76-A88 CarbonylContact O-C 3.53Å; V76-A88 WeakPolarHBondContact O-CA 3.24Å; A88-D90 VanDerWaalsContact C-N 3.35Å
89G98.6Very high97.9Very high53 Ų5349.9 Ų49.955%0.54631%0.308SS..THydrogen-bonded Turntrans89.5-14.6-175.200000115V76 K87 R91V76-G89 PolarHBondContact O-N 3.13Å; K87-G89 PolarHBondContact O-N 3.16Å; G89-R91 PolarHBondContact O-N 2.93Å
90D98.8Very high97.9Very high21 Ų2147.5 Ų47.511%0.11229%0.294CS..  trans-64.6136.7176.1-74.3-11000110.9V75 V76 K87 A88 V92V75-D90 CarbonylContact C-O 3.5Å; V75-D90 WeakPolarHBondContact CA-O 3.42Å; V76-D90 HydrophobicContact CB-CB 4.44Å; V76-D90 HydrophobicContact CG2-CB 4.01Å; V76-D90 PolarHBondContact N-O 3.24Å; K87-D90 PolarHBondContact N-OD2 2.88Å; K87-D90 IonicContact NZ-OD1 3.54Å; K87-D90 PolarHBondContact NZ-OD1 2.75Å; K87-D90 IonicContact NZ-OD2 3.63Å; K87-D90 VanDerWaalsContact O-CB 3.31Å; K87-D90 WeakPolarHBondContact O-CB 3.36Å; K87-D90 PolarHBondContact O-N 3.27Å; K87-D90 VanDerWaalsContact O-N 3.13Å; A88-D90 VanDerWaalsContact C-N 3.35Å; D90-V92 HydrophobicContact CB-CG1 4.32Å
91R98.8Very high97.9Very high59 Ų5946.9 Ų46.922%0.22329%0.288CS..EExtended strand (participates in β ladder)trans-81.5127.2171.6-60179.363.2-166.2-9109.1G89 K115 L116 D118 L120 F122G89-R91 PolarHBondContact O-N 2.93Å; R91-K115 WeakPolarHBondContact O-CA 3.49Å; R91-L116 HydrophobicContact CB-CB 4.21Å; R91-L116 PolarHBondContact O-N 2.99Å; R91-D118 WeakPolarHBondContact CD-OD1 3.41Å; R91-D118 IonicContact CZ-OD1 3.87Å; R91-D118 IonicContact NE-OD1 2.78Å; R91-D118 PolarHBondContact NH1-O 3.13Å; R91-D118 IonicContact NH1-OD1 2.73Å; R91-D118 PolarHBondContact NH1-OD1 3.09Å; R91-L120 PolarHBondContact NH2-O 3.4Å; R91-F122 HydrophobicContact CB-CE1 4.12Å; R91-F122 HydrophobicContact CG-CE1 4.19Å; R91-F122 HydrophobicContact CG-CZ 4.08Å
92V98.9Very high98Very high0 Ų039.4 Ų39.40%025%0.253CS..EExtended strand (participates in β ladder)trans-140.1159-172.6-64.50000112.6I39 A73 G74 V76 L86 D90 V113 H114I39-V92 HydrophobicContact CD1-CG2 3.92Å; I39-V92 HydrophobicContact CG1-CG2 4Å; I39-V92 HydrophobicContact CG2-CG2 4.02Å; A73-V92 CarbonylContact C-O 3.54Å; A73-V92 WeakPolarHBondContact CA-O 3.28Å; G74-V92 PolarHBondContact N-O 2.94Å; G74-V92 PolarHBondContact O-N 2.74Å; V76-V92 HydrophobicContact CG2-CB 4.45Å; V76-V92 HydrophobicContact CG2-CG1 3.68Å; V76-V92 HydrophobicContact CG2-CG2 3.87Å; L86-V92 HydrophobicContact CD2-CG1 3.9Å; D90-V92 HydrophobicContact CB-CG1 4.32Å; V92-V113 HydrophobicContact CB-CG1 3.62Å; V92-V113 HydrophobicContact CG1-CG1 3.72Å; V92-V113 HydrophobicContact CG2-CG1 3.94Å; V92-H114 CarbonylContact C-O 3.55Å; V92-H114 WeakPolarHBondContact CA-O 3.48Å; V92-H114 WeakPolarHBondContact CB-O 3.47Å
93F98.8Very high98Very high4 Ų437.4 Ų37.42%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-131.8164.5162.873.8-85.1000110.6V72 A73 H114 L116 G125 I128 F133 M289V72-F93 CarbonylContact O-C 3.57Å; V72-F93 WeakPolarHBondContact O-CA 3.24Å; A73-F93 HydrophobicContact CB-CB 3.94Å; F93-H114 HydrophobicContact CD1-CB 4.05Å; F93-H114 HydrophobicContact CD2-CB 4.46Å; F93-H114 HydrophobicContact CE1-CB 3.5Å; F93-H114 HydrophobicContact CE2-CB 3.95Å; F93-H114 AromaticContact CE2-CD2 3.82Å; F93-H114 HydrophobicContact CZ-CB 3.45Å; F93-H114 VanDerWaalsContact CZ-CB 3.45Å; F93-H114 AromaticContact CZ-CG 3.96Å; F93-H114 PolarHBondContact N-O 3.16Å; F93-H114 PolarHBondContact O-N 2.83Å; F93-L116 HydrophobicContact CD1-CB 4.24Å; F93-L116 HydrophobicContact CD1-CD1 4.09Å; F93-G125 WeakPolarHBondContact CB-O 3.23Å; F93-I128 HydrophobicContact CD1-CD1 4.23Å; F93-I128 HydrophobicContact CD2-CB 3.87Å; F93-I128 HydrophobicContact CD2-CG2 4.07Å; F93-I128 HydrophobicContact CE1-CD1 4.17Å; F93-I128 HydrophobicContact CE2-CB 3.77Å; F93-I128 HydrophobicContact CE2-CG2 3.42Å; F93-I128 VanDerWaalsContact CE2-CG2 3.42Å; F93-I128 HydrophobicContact CG-CB 4.46Å; F93-I128 HydrophobicContact CG-CD1 4.42Å; F93-I128 HydrophobicContact CZ-CB 4.27Å; F93-I128 HydrophobicContact CZ-CD1 4.33Å; F93-I128 HydrophobicContact CZ-CG2 3.69Å; F93-F133 HydrophobicContact CE2-CE2 4.14Å; F93-M289 HydrophobicContact CE1-CE 4.01Å; F93-M289 HydrophobicContact CE1-SD 4.37Å; F93-M289 HydrophobicContact CZ-CE 4.33Å
94T98.8Very high98.1Very high0 Ų038.9 Ų38.90%024%0.238CC..EExtended strand (participates in β ladder)trans-126.4157.6-175.363.20000113.8I39 S70 V72 A108 C112 V113 G129I39-T94 HydrophobicContact CD1-CG2 3.47Å; I39-T94 VanDerWaalsContact CD1-CG2 3.47Å; S70-T94 PolarHBondContact O-OG1 2.93Å; V72-T94 HydrophobicContact CG2-CG2 3.49Å; V72-T94 VanDerWaalsContact CG2-CG2 3.49Å; V72-T94 VanDerWaalsContact CG2-OG1 3.25Å; V72-T94 WeakPolarHBondContact CG2-OG1 3.38Å; V72-T94 PolarHBondContact N-OG1 3.44Å; V72-T94 PolarHBondContact O-N 3.4Å; V72-T94 PolarHBondContact O-OG1 2.73Å; T94-A108 HydrophobicContact CG2-CB 4.16Å; T94-C112 VanDerWaalsContact CA-O 3.27Å; T94-C112 WeakPolarHBondContact CA-O 3.44Å; T94-V113 HydrophobicContact CG2-CG2 4.03Å; T94-G129 VanDerWaalsContact O-CA 3.27Å; T94-G129 WeakPolarHBondContact O-CA 3.44Å
95T97.1Very high98.2Very high16 Ų1632.6 Ų32.610%0.09820%0.199CC..SBendtrans-104.5-13.6166.751.10000112.7C112 F133T95-C112 PolarHBondContact N-O 2.96Å; T95-C112 PolarHBondContact OG1-O 2.73Å; T95-F133 HydrophobicContact CG2-CD1 4.06Å; T95-F133 HydrophobicContact CG2-CD2 3.45Å; T95-F133 VanDerWaalsContact CG2-CD2 3.45Å; T95-F133 HydrophobicContact CG2-CE1 4.03Å; T95-F133 HydrophobicContact CG2-CE2 3.4Å; T95-F133 HydrophobicContact CG2-CG 3.78Å; T95-F133 HydrophobicContact CG2-CZ 3.7Å
96A96.9Very high98.4Very high30 Ų3029.1 Ų29.125%0.24817%0.17CC..  trans-157.215417400000111S70 A108 C112S70-A96 PolarHBondContact O-N 3.41Å; A96-A108 WeakPolarHBondContact O-CB 3.38Å; A96-C112 HydrophobicContact CB-CB 4.12Å
97T98.1Very high98.4Very high18 Ų1828.6 Ų28.611%0.1117%0.168CC..  trans-125.8156.1167.369.20000109.4G69 V72 G100 G101 A106G69-T97 PolarHBondContact O-OG1 3.48Å; V72-T97 HydrophobicContact CG1-CG2 3.95Å; V72-T97 HydrophobicContact CG2-CG2 4.09Å; T97-G100 WeakPolarHBondContact OG1-CA 3.47Å; T97-G100 PolarHBondContact OG1-N 3.27Å; T97-G101 PolarHBondContact OG1-N 2.89Å; T97-A106 HydrophobicContact CG2-CB 4.21Å
98Q97.1Very high98.4Very high112 Ų11222.7 Ų22.752%0.52314%0.142SC..SBendtrans-95.5-35.8175.2-70173.7-50.700111.6Q36 V107Q36-Q98 VanDerWaalsContact CD-OE1 3.31Å; Q98-V107 PolarHBondContact N-O 2.86Å
99S98.1Very high98.4Very high37 Ų3720.8 Ų20.826%0.25913%0.126SC..SBendtrans-92.5-12.9179.568.20000114.6T67 A106 V107T67-S99 WeakPolarHBondContact CB-O 3.42Å; S99-A106 WeakPolarHBondContact OG-CA 3.42Å; S99-V107 PolarHBondContact N-O 2.83Å; S99-V107 PolarHBondContact OG-N 2.86Å
100G98.4Very high98.3Very high5 Ų519.6 Ų19.65%0.05211%0.108CC..  trans97.1139-171.400000113.3T67 P68 T97 A106T67-G100 VanDerWaalsContact O-CA 3.23Å; T67-G100 WeakPolarHBondContact O-CA 3.49Å; P68-G100 CarbonylContact O-C 3.52Å; T97-G100 WeakPolarHBondContact OG1-CA 3.47Å; T97-G100 PolarHBondContact OG1-N 3.27Å; G100-A106 WeakPolarHBondContact O-CB 3.25Å
101G98.6Very high98.2Very high0 Ų022.9 Ų22.90%013%0.125CC..SBendtrans-94-11.9-175.100000116.1C44 P68 G69 T97 A103C44-G101 WeakPolarHBondContact CB-O 3.47Å; P68-G101 PolarHBondContact O-N 3.23Å; G69-G101 PolarHBondContact O-N 2.64Å; T97-G101 PolarHBondContact OG1-N 2.89Å; G101-A103 PolarHBondContact O-N 3.47Å
102Y98.8Very high98.1Very high0 Ų020.7 Ų20.70%012%0.119CC..SBendtrans-79.857.7174.3-67.37.4000110.3A9 I10 C44 V46 E50 P68 A307 H311 L326A9-Y102 CarbonylContact C-O 3.22Å; A9-Y102 WeakPolarHBondContact CA-O 3.39Å; I10-Y102 HydrophobicContact CB-CD2 4.3Å; I10-Y102 HydrophobicContact CG1-CD2 4.43Å; I10-Y102 HydrophobicContact CG2-CD2 4.42Å; I10-Y102 PolarHBondContact N-O 3.35Å; C44-Y102 HydrophobicContact CB-CD1 4.13Å; C44-Y102 HydrophobicContact CB-CE1 4.45Å; C44-Y102 VanDerWaalsContact SG-CD1 3.56Å; V46-Y102 WeakPolarHBondContact CG1-OH 3.47Å; E50-Y102 PolarHBondContact OE2-OH 3.11Å; P68-Y102 HydrophobicContact CB-CD2 3.72Å; P68-Y102 HydrophobicContact CB-CE2 3.81Å; P68-Y102 HydrophobicContact CB-CG 4.21Å; P68-Y102 HydrophobicContact CG-CD2 3.98Å; P68-Y102 HydrophobicContact CG-CE2 4.3Å; P68-Y102 WeakPolarHBondContact O-CB 3.48Å; P68-Y102 PolarHBondContact O-N 2.94Å; Y102-A307 HydrophobicContact CD2-CB 4.37Å; Y102-H311 AromaticContact CE2-CD2 3.99Å; Y102-H311 AromaticContact CE2-NE2 3.27Å; Y102-H311 VanDerWaalsContact CE2-NE2 3.27Å; Y102-H311 WeakPolarHBondContact CE2-NE2 3.49Å; Y102-H311 AromaticContact CZ-NE2 3.54Å; Y102-H311 PolarHBondContact OH-NE2 3.46Å; Y102-L326 HydrophobicContact CD1-CD1 3.52Å; Y102-L326 HydrophobicContact CD2-CD1 3.75Å; Y102-L326 HydrophobicContact CE1-CD1 3.52Å; Y102-L326 HydrophobicContact CE2-CD1 3.74Å; Y102-L326 HydrophobicContact CG-CD1 3.64Å
103A98.8Very high98Very high1 Ų121.2 Ų21.21%0.00812%0.122CC..BIsolated β-bridgetrans-157.6155.7-172.800000110M7 R8 A9 V41 T67 G101 Y105M7-A103 HydrophobicContact CE-CB 3.96Å; M7-A103 HydrophobicContact SD-CB 3.99Å; R8-A103 WeakPolarHBondContact O-CA 3.24Å; A9-A103 HydrophobicContact CB-CB 3.55Å; V41-A103 VanDerWaalsContact CB-O 3.23Å; V41-A103 WeakPolarHBondContact CB-O 3.47Å; V41-A103 WeakPolarHBondContact CG2-O 3.44Å; T67-A103 HydrophobicContact CG2-CB 4.25Å; G101-A103 PolarHBondContact O-N 3.47Å; A103-Y105 WeakPolarHBondContact CB-O 3.41Å; A103-Y105 PolarHBondContact O-N 3.12Å
104E98.8Very high98Very high48 Ų4822.7 Ų22.722%0.22413%0.129CC..SBendtrans-65.9-23.3175.7-62.1174.7143.400112.5M7 R8 V41M7-E104 WeakPolarHBondContact CA-OE2 3.41Å; M7-E104 HydrophobicContact CB-CB 4.2Å; R8-E104 HydrophobicContact CB-CG 4.15Å; R8-E104 IonicContact CZ-OE1 2.79Å; R8-E104 VanDerWaalsContact CZ-OE1 3.31Å; R8-E104 PolarHBondContact N-OE2 2.86Å; R8-E104 IonicContact NE-OE1 2.6Å; R8-E104 PolarHBondContact NE-OE1 2.91Å; R8-E104 IonicContact NH2-OE1 3.64Å; R8-E104 PolarHBondContact NH2-OE1 2.65Å; R8-E104 PolarHBondContact O-N 3.29Å; V41-E104 PolarHBondContact N-O 3.28Å
105Y98.8Very high98Very high5 Ų527.8 Ų27.82%0.0215%0.151CC..EExtended strand (participates in β ladder)trans-134.1136.9175.4-72.3-90.4000111.5R5 M7 V29 L38 I39 R40 D77 A103R5-Y105 VanDerWaalsContact CZ-CZ 3.42Å; R5-Y105 VanDerWaalsContact NH1-CZ 3.31Å; R5-Y105 PolarHBondContact NH1-OH 2.75Å; R5-Y105 VanDerWaalsContact NH2-CZ 3.29Å; R5-Y105 PolarHBondContact NH2-OH 3.25Å; M7-Y105 HydrophobicContact CB-CD2 4.28Å; M7-Y105 HydrophobicContact SD-CD2 4.4Å; M7-Y105 HydrophobicContact SD-CG 4.49Å; M7-Y105 PolarHBondContact SD-N 2.78Å; V29-Y105 HydrophobicContact CG1-CD1 4.19Å; V29-Y105 HydrophobicContact CG1-CD2 4.34Å; V29-Y105 HydrophobicContact CG1-CG 3.9Å; V29-Y105 HydrophobicContact CG2-CD2 3.9Å; V29-Y105 HydrophobicContact CG2-CG 4.25Å; L38-Y105 HydrophobicContact CD1-CD1 4.15Å; L38-Y105 HydrophobicContact CD2-CD1 4.18Å; L38-Y105 HydrophobicContact CG-CD1 4.05Å; I39-Y105 VanDerWaalsContact O-CA 3.31Å; I39-Y105 WeakPolarHBondContact O-CA 3.4Å; R40-Y105 HydrophobicContact CB-CD1 4.2Å; R40-Y105 HydrophobicContact CB-CE1 3.58Å; R40-Y105 VanDerWaalsContact CD-OH 3.22Å; R40-Y105 WeakPolarHBondContact CD-OH 3.29Å; R40-Y105 HydrophobicContact CG-CE1 3.77Å; R40-Y105 HydrophobicContact CG-CE2 4.31Å; R40-Y105 WeakPolarHBondContact CG-OH 3.35Å; D77-Y105 HydrophobicContact CB-CD1 4.41Å; D77-Y105 HydrophobicContact CB-CE1 3.88Å; D77-Y105 WeakPolarHBondContact OD1-CE1 3.27Å; D77-Y105 PolarHBondContact OD1-OH 2.99Å; A103-Y105 WeakPolarHBondContact CB-O 3.41Å; A103-Y105 PolarHBondContact O-N 3.12Å
106A98.8Very high98Very high0 Ų027.3 Ų27.30%015%0.148CC..EExtended strand (participates in β ladder)trans-134.8136.2177.200000111.6I39 V41 V72 T97 S99 G100I39-A106 PolarHBondContact N-O 2.91Å; I39-A106 PolarHBondContact O-N 2.91Å; V41-A106 HydrophobicContact CG2-CB 3.81Å; V72-A106 HydrophobicContact CG1-CB 4.24Å; T97-A106 HydrophobicContact CG2-CB 4.21Å; S99-A106 WeakPolarHBondContact OG-CA 3.42Å; G100-A106 WeakPolarHBondContact O-CB 3.25Å
107V98.8Very high98Very high6 Ų627.1 Ų27.14%0.03614%0.144CC..EExtended strand (participates in β ladder)trans-90.8132.4167.8169.70000109.5P30 Q36 V37 L38 Q98 S99P30-V107 HydrophobicContact CB-CG2 3.77Å; P30-V107 HydrophobicContact CG-CG2 3.76Å; Q36-V107 HydrophobicContact CB-CG1 3.84Å; Q36-V107 HydrophobicContact CG-CG1 4.03Å; V37-V107 WeakPolarHBondContact O-CA 3.47Å; L38-V107 HydrophobicContact CD1-CG2 3.82Å; Q98-V107 PolarHBondContact N-O 2.86Å; S99-V107 PolarHBondContact N-O 2.83Å; S99-V107 PolarHBondContact OG-N 2.86Å
108A98.7Very high97.9Very high0 Ų032.5 Ų32.50%017%0.172CC..EExtended strand (participates in β ladder)trans-131.2153.2172.400000110.6Q36 V37 I39 T94 A96 V113Q36-A108 CarbonylContact C-O 3.6Å; Q36-A108 WeakPolarHBondContact CA-O 3.47Å; V37-A108 PolarHBondContact N-O 3.1Å; V37-A108 PolarHBondContact O-N 3.03Å; I39-A108 HydrophobicContact CD1-CB 4.34Å; T94-A108 HydrophobicContact CG2-CB 4.16Å; A96-A108 WeakPolarHBondContact O-CB 3.38Å; A108-V113 HydrophobicContact CB-CG2 3.66Å
109A98Very high97.9Very high21 Ų2131.1 Ų31.117%0.17418%0.179CC..EExtended strand (participates in β ladder)trans-69.5139.5168.900000109.5R35 D111 C112 V113R35-A109 WeakPolarHBondContact O-CA 3.41Å; A109-D111 WeakPolarHBondContact CB-OD1 3.28Å; A109-D111 PolarHBondContact O-N 2.84Å; A109-D111 VanDerWaalsContact O-N 3.14Å; A109-C112 PolarHBondContact O-N 3.45Å; A109-V113 WeakPolarHBondContact O-CG2 3.4Å
110D97.3Very high97.9Very high29 Ų2929.6 Ų29.616%0.15517%0.169CC..G310 helixtrans-55.2-32.8-174.762.43.5000114.1R35 V37 V83 C112 V113R35-D110 IonicContact CZ-OD1 3.73Å; R35-D110 IonicContact NE-OD1 2.74Å; R35-D110 PolarHBondContact NE-OD1 3.05Å; R35-D110 IonicContact NE-OD2 3.49Å; R35-D110 PolarHBondContact NE-OD2 3.36Å; R35-D110 IonicContact NH2-OD1 3.7Å; R35-D110 PolarHBondContact NH2-OD1 2.88Å; R35-D110 IonicContact NH2-OD2 3.95Å; R35-D110 PolarHBondContact O-N 2.81Å; V37-D110 HydrophobicContact CG2-CB 4.22Å; V83-D110 HydrophobicContact CG1-CB 4.32Å; V83-D110 HydrophobicContact CG2-CB 3.99Å; D110-C112 PolarHBondContact O-N 3.39Å; D110-V113 PolarHBondContact O-N 2.95Å
111D95.4Very high97.9Very high90 Ų9033 Ų3348%0.48119%0.185SC..G310 helixtrans-73.8-7.9178.470.4-6.7000114.9A109A109-D111 WeakPolarHBondContact CB-OD1 3.28Å; A109-D111 PolarHBondContact O-N 2.84Å; A109-D111 VanDerWaalsContact O-N 3.14Å
112C96.4Very high97.9Very high13 Ų1335 Ų359%0.08819%0.194CC..G310 helixtrans-108.74.2175-610000112.7T94 T95 A96 A109 D110T94-C112 VanDerWaalsContact CA-O 3.27Å; T94-C112 WeakPolarHBondContact CA-O 3.44Å; T95-C112 PolarHBondContact N-O 2.96Å; T95-C112 PolarHBondContact OG1-O 2.73Å; A96-C112 HydrophobicContact CB-CB 4.12Å; A109-C112 PolarHBondContact O-N 3.45Å; D110-C112 PolarHBondContact O-N 3.39Å
113V98.4Very high97.9Very high11 Ų1136.2 Ų36.27%0.06720%0.201CC..EExtended strand (participates in β ladder)trans-109.3127.7-178.8-174.30000109.7V37 I39 L86 V92 T94 A108 A109 D110V37-V113 HydrophobicContact CB-CG2 4.32Å; V37-V113 HydrophobicContact CG2-CG2 4.45Å; I39-V113 HydrophobicContact CD1-CG1 4.22Å; I39-V113 HydrophobicContact CD1-CG2 4.12Å; L86-V113 HydrophobicContact CD1-CB 3.72Å; L86-V113 HydrophobicContact CD1-CG1 3.57Å; V92-V113 HydrophobicContact CB-CG1 3.62Å; V92-V113 HydrophobicContact CG1-CG1 3.72Å; V92-V113 HydrophobicContact CG2-CG1 3.94Å; T94-V113 HydrophobicContact CG2-CG2 4.03Å; A108-V113 HydrophobicContact CB-CG2 3.66Å; A109-V113 WeakPolarHBondContact O-CG2 3.4Å; D110-V113 PolarHBondContact O-N 2.95Å
114H98.1Very high97.9Very high35 Ų3537.9 Ų37.916%0.16221%0.209CC..EExtended strand (participates in β ladder)trans-123.6144.5-176.4-53.2-74.1000110.1V92 F93 F133V92-H114 CarbonylContact C-O 3.55Å; V92-H114 WeakPolarHBondContact CA-O 3.48Å; V92-H114 WeakPolarHBondContact CB-O 3.47Å; F93-H114 HydrophobicContact CD1-CB 4.05Å; F93-H114 HydrophobicContact CD2-CB 4.46Å; F93-H114 HydrophobicContact CE1-CB 3.5Å; F93-H114 HydrophobicContact CE2-CB 3.95Å; F93-H114 AromaticContact CE2-CD2 3.82Å; F93-H114 HydrophobicContact CZ-CB 3.45Å; F93-H114 VanDerWaalsContact CZ-CB 3.45Å; F93-H114 AromaticContact CZ-CG 3.96Å; F93-H114 PolarHBondContact N-O 3.16Å; F93-H114 PolarHBondContact O-N 2.83Å; H114-F133 AromaticContact CE1-CZ 3.88Å; H114-F133 AromaticContact NE2-CZ 3.57Å
115K98Very high97.9Very high106 Ų10635.7 Ų35.746%0.46120%0.199SC..EExtended strand (participates in β ladder)trans-67.7137.5175.8-69.4-174.9178.3174.90110.4A85 L86 R91A85-K115 WeakPolarHBondContact O-CE 3.29Å; A85-K115 PolarHBondContact O-NZ 2.96Å; L86-K115 HydrophobicContact CD2-CG 4.04Å; R91-K115 WeakPolarHBondContact O-CA 3.49Å
116L98.4Very high97.9Very high7 Ų735.4 Ų35.44%0.03720%0.198CC..  trans-98.7116175.8-177.464.9000109R91 F93 L120 F122 I128R91-L116 HydrophobicContact CB-CB 4.21Å; R91-L116 PolarHBondContact O-N 2.99Å; F93-L116 HydrophobicContact CD1-CB 4.24Å; F93-L116 HydrophobicContact CD1-CD1 4.09Å; L116-L120 HydrophobicContact CD1-CB 3.89Å; L116-L120 HydrophobicContact CD1-CD1 4.26Å; L116-F122 HydrophobicContact CD2-CD1 3.71Å; L116-F122 HydrophobicContact CD2-CE1 4.11Å; L116-I128 HydrophobicContact CD1-CD1 4.13Å
117P97.1Very high97.9Very high25 Ų2535.6 Ų35.616%0.16220%0.199CC..  trans-61.7153.4177.4-25.236.2000112.8A119 L120 F286 M289P117-A119 PolarHBondContact O-N 3.32Å; P117-A119 VanDerWaalsContact O-N 3.13Å; P117-L120 PolarHBondContact O-N 2.96Å; P117-L120 VanDerWaalsContact O-N 3.16Å; P117-F286 HydrophobicContact CG-CD2 4.47Å; P117-F286 HydrophobicContact CG-CE2 4.09Å; P117-M289 HydrophobicContact CG-CB 3.96Å; P117-M289 HydrophobicContact CG-CE 4.21Å; P117-M289 HydrophobicContact CG-SD 4.2Å
118D95.9Very high97.9Very high132 Ų13235.3 Ų35.371%0.70620%0.198SC*.THydrogen-bonded Turntrans-64.8-26.3-171.8-80.8-34.6000114.6R91 L120R91-D118 WeakPolarHBondContact CD-OD1 3.41Å; R91-D118 IonicContact CZ-OD1 3.87Å; R91-D118 IonicContact NE-OD1 2.78Å; R91-D118 PolarHBondContact NH1-O 3.13Å; R91-D118 IonicContact NH1-OD1 2.73Å; R91-D118 PolarHBondContact NH1-OD1 3.09Å; D118-L120 PolarHBondContact O-N 3.46Å
119A96.4Very high97.9Very high82 Ų8235.3 Ų35.368%0.67820%0.198SC*.THydrogen-bonded Turntrans-68-14.1179.900000114.6P117P117-A119 PolarHBondContact O-N 3.32Å; P117-A119 VanDerWaalsContact O-N 3.13Å
120L98.1Very high97.9Very high6 Ų635 Ų353%0.03119%0.193CC..SBendtrans-111.2134.6178.4-61.2-177.7000110.2R91 L116 P117 D118 Q124 I128 M289R91-L120 PolarHBondContact NH2-O 3.4Å; L116-L120 HydrophobicContact CD1-CB 3.89Å; L116-L120 HydrophobicContact CD1-CD1 4.26Å; P117-L120 PolarHBondContact O-N 2.96Å; P117-L120 VanDerWaalsContact O-N 3.16Å; D118-L120 PolarHBondContact O-N 3.46Å; L120-Q124 HydrophobicContact CB-CB 4.3Å; L120-I128 HydrophobicContact CD1-CD1 4.03Å; L120-M289 HydrophobicContact CD1-CB 4.22Å; L120-M289 HydrophobicContact CD1-CG 3.73Å; L120-M289 HydrophobicContact CD1-SD 3.59Å; L120-M289 VanDerWaalsContact CD1-SD 3.59Å
121D98.6Very high97.9Very high75 Ų7533.7 Ų33.740%0.40119%0.186SC..  trans-76.2171.817371.648.6000112T123 Q124 G125D121-T123 VanDerWaalsContact C-N 3.33Å; D121-T123 PolarHBondContact O-N 3.34Å; D121-T123 WeakPolarHBondContact OD1-CA 3.41Å; D121-T123 WeakPolarHBondContact OD1-CB 3.27Å; D121-T123 PolarHBondContact OD1-N 3.06Å; D121-T123 PolarHBondContact OD1-OG1 3.04Å; D121-Q124 VanDerWaalsContact N-OE1 3.08Å; D121-Q124 PolarHBondContact O-N 3.33Å; D121-Q124 PolarHBondContact OD1-N 3.09Å; D121-G125 PolarHBondContact O-N 2.88Å
122F98.8Very high98.1Very high44 Ų4429.5 Ų29.519%0.19316%0.164CC..Hα-helixtrans-68-29.8-179-63.8-64.3000113.3R42 A43 A73 G74 V75 R91 L116 Q124 G125 A126R42-F122 HydrophobicContact CB-CB 3.66Å; R42-F122 HydrophobicContact CB-CD1 4.37Å; R42-F122 HydrophobicContact CB-CD2 3.75Å; R42-F122 HydrophobicContact CB-CG 3.67Å; R42-F122 HydrophobicContact CG-CB 4.49Å; R42-F122 HydrophobicContact CG-CD1 4.47Å; R42-F122 HydrophobicContact CG-CD2 3.68Å; R42-F122 HydrophobicContact CG-CE2 3.95Å; R42-F122 HydrophobicContact CG-CG 3.97Å; R42-F122 HydrophobicContact CG-CZ 4.46Å; A43-F122 HydrophobicContact CB-CB 4.47Å; A73-F122 HydrophobicContact CB-CB 4.29Å; A73-F122 HydrophobicContact CB-CD1 4.3Å; A73-F122 WeakPolarHBondContact CB-O 3.46Å; G74-F122 WeakPolarHBondContact O-CE1 3.42Å; V75-F122 HydrophobicContact CG2-CE1 4.22Å; V75-F122 HydrophobicContact CG2-CZ 3.69Å; R91-F122 HydrophobicContact CB-CE1 4.12Å; R91-F122 HydrophobicContact CG-CE1 4.19Å; R91-F122 HydrophobicContact CG-CZ 4.08Å; L116-F122 HydrophobicContact CD2-CD1 3.71Å; L116-F122 HydrophobicContact CD2-CE1 4.11Å; F122-Q124 VanDerWaalsContact C-N 3.32Å; F122-G125 PolarHBondContact O-N 3.46Å; F122-A126 WeakPolarHBondContact O-CB 3.32Å; F122-A126 PolarHBondContact O-N 3.26Å
123T98.8Very high98.2Very high24 Ų2429.2 Ų29.215%0.14716%0.161CC..Hα-helixtrans-68.9-36.7176.567.10000111A43 D121 A126 A127 V298 V325 T327A43-T123 HydrophobicContact CB-CG2 4.15Å; D121-T123 VanDerWaalsContact C-N 3.33Å; D121-T123 PolarHBondContact O-N 3.34Å; D121-T123 WeakPolarHBondContact OD1-CA 3.41Å; D121-T123 WeakPolarHBondContact OD1-CB 3.27Å; D121-T123 PolarHBondContact OD1-N 3.06Å; D121-T123 PolarHBondContact OD1-OG1 3.04Å; T123-A126 PolarHBondContact O-N 3.49Å; T123-A127 PolarHBondContact O-N 2.93Å; T123-V298 WeakPolarHBondContact O-CG2 3.24Å; T123-V325 HydrophobicContact CG2-CG1 4.42Å; T123-T327 HydrophobicContact CG2-CG2 4.35Å
124Q98.7Very high98.2Very high37 Ų3729.2 Ų29.217%0.17316%0.161CC..Hα-helixtrans-66-44169.7-65.5-179.4-59.200111.3L120 D121 F122 A126 A127 I128 P296 V298L120-Q124 HydrophobicContact CB-CB 4.3Å; D121-Q124 VanDerWaalsContact N-OE1 3.08Å; D121-Q124 PolarHBondContact O-N 3.33Å; D121-Q124 PolarHBondContact OD1-N 3.09Å; F122-Q124 VanDerWaalsContact C-N 3.32Å; Q124-A126 VanDerWaalsContact C-N 3.3Å; Q124-A126 PolarHBondContact O-N 3.15Å; Q124-A127 WeakPolarHBondContact O-CA 3.37Å; Q124-A127 WeakPolarHBondContact O-CB 3.39Å; Q124-A127 PolarHBondContact O-N 3.23Å; Q124-I128 WeakPolarHBondContact O-CG1 3.24Å; Q124-P296 HydrophobicContact CB-CB 4.2Å; Q124-P296 HydrophobicContact CB-CG 4.25Å; Q124-P296 PolarHBondContact NE2-O 3.01Å; Q124-P296 WeakPolarHBondContact O-CB 3.45Å; Q124-P296 WeakPolarHBondContact O-CG 3.38Å; Q124-V298 HydrophobicContact CG-CG2 4.04Å
125G98.8Very high98.2Very high1 Ų127.6 Ų27.61%0.0115%0.153CC..Hα-helixtrans-55-44174.400000113F93 D121 F122 A127 I128F93-G125 WeakPolarHBondContact CB-O 3.23Å; D121-G125 PolarHBondContact O-N 2.88Å; F122-G125 PolarHBondContact O-N 3.46Å; G125-A127 PolarHBondContact O-N 3.29Å; G125-A127 VanDerWaalsContact O-N 3.14Å; G125-I128 WeakPolarHBondContact O-CB 3.43Å; G125-I128 PolarHBondContact O-N 3Å; G125-I128 VanDerWaalsContact O-N 3.08Å
126A98.8Very high98.3Very high0 Ų023.1 Ų23.10%013%0.134CC..THydrogen-bonded Turntrans-67.7-9.2176.800000113.6A43 G45 D71 A73 F122 T123 Q124 V325A43-A126 HydrophobicContact CB-CB 3.67Å; G45-A126 VanDerWaalsContact CA-O 3.28Å; G45-A126 WeakPolarHBondContact CA-O 3.35Å; G45-A126 PolarHBondContact N-O 3.23Å; D71-A126 WeakPolarHBondContact CB-O 3.36Å; A73-A126 HydrophobicContact CB-CB 4.13Å; A73-A126 VanDerWaalsContact CB-N 3.35Å; F122-A126 WeakPolarHBondContact O-CB 3.32Å; F122-A126 PolarHBondContact O-N 3.26Å; T123-A126 PolarHBondContact O-N 3.49Å; Q124-A126 VanDerWaalsContact C-N 3.3Å; Q124-A126 PolarHBondContact O-N 3.15Å; A126-V325 HydrophobicContact CB-CG1 4.25Å
127A98.6Very high98.3Very high3 Ų323.2 Ų23.23%0.02513%0.133CC..THydrogen-bonded Turntrans-97.81.4174.300000113.9T123 Q124 G125 P131 P296 K323T123-A127 PolarHBondContact O-N 2.93Å; Q124-A127 WeakPolarHBondContact O-CA 3.37Å; Q124-A127 WeakPolarHBondContact O-CB 3.39Å; Q124-A127 PolarHBondContact O-N 3.23Å; G125-A127 PolarHBondContact O-N 3.29Å; G125-A127 VanDerWaalsContact O-N 3.14Å; A127-P131 WeakPolarHBondContact O-CG 3.46Å; A127-P296 HydrophobicContact CB-CB 3.68Å; A127-K323 HydrophobicContact CB-CB 3.63Å; A127-K323 HydrophobicContact CB-CG 3.62Å
128I98.7Very high98.4Very high0 Ų022 Ų220%013%0.126CC..THydrogen-bonded Turntrans-88.6-54.2-176.5-57.9171.3000112F93 L116 L120 Q124 G125 P131 Y132 M289 L294 P296F93-I128 HydrophobicContact CD1-CD1 4.23Å; F93-I128 HydrophobicContact CD2-CB 3.87Å; F93-I128 HydrophobicContact CD2-CG2 4.07Å; F93-I128 HydrophobicContact CE1-CD1 4.17Å; F93-I128 HydrophobicContact CE2-CB 3.77Å; F93-I128 HydrophobicContact CE2-CG2 3.42Å; F93-I128 VanDerWaalsContact CE2-CG2 3.42Å; F93-I128 HydrophobicContact CG-CB 4.46Å; F93-I128 HydrophobicContact CG-CD1 4.42Å; F93-I128 HydrophobicContact CZ-CB 4.27Å; F93-I128 HydrophobicContact CZ-CD1 4.33Å; F93-I128 HydrophobicContact CZ-CG2 3.69Å; L116-I128 HydrophobicContact CD1-CD1 4.13Å; L120-I128 HydrophobicContact CD1-CD1 4.03Å; Q124-I128 WeakPolarHBondContact O-CG1 3.24Å; G125-I128 WeakPolarHBondContact O-CB 3.43Å; G125-I128 PolarHBondContact O-N 3Å; G125-I128 VanDerWaalsContact O-N 3.08Å; I128-P131 WeakPolarHBondContact O-CD 3.12Å; I128-Y132 HydrophobicContact CB-CD2 4.44Å; I128-Y132 HydrophobicContact CG2-CD2 4.32Å; I128-Y132 HydrophobicContact CG2-CG 4.39Å; I128-Y132 WeakPolarHBondContact O-CB 3.33Å; I128-Y132 PolarHBondContact O-N 3.36Å; I128-M289 HydrophobicContact CD1-SD 3.56Å; I128-M289 VanDerWaalsContact CD1-SD 3.56Å; I128-L294 HydrophobicContact CD1-CD2 4.49Å; I128-L294 HydrophobicContact CG1-CD2 4.43Å; I128-P296 HydrophobicContact CD1-CG 4.19Å; I128-P296 HydrophobicContact CG1-CG 3.56Å
129G98.1Very high98.5Very high0 Ų015.7 Ų15.70%09%0.092CC..Hα-helixtrans-35.5-96.5-168.300000116.2T94 F133T94-G129 VanDerWaalsContact O-CA 3.27Å; T94-G129 WeakPolarHBondContact O-CA 3.44Å; G129-F133 WeakPolarHBondContact O-CB 3.5Å; G129-F133 WeakPolarHBondContact O-CD2 3.44Å; G129-F133 PolarHBondContact O-N 3.23Å
130I98.1Very high98.6Very high15 Ų1513.3 Ų13.38%0.0777%0.069CC..Hα-helixtrans-56-45.6176.4-66.4-57.7000112.4S70 D71 T134 L270 F271S70-I130 WeakPolarHBondContact OG-CG1 3.34Å; D71-I130 VanDerWaalsContact OD1-CG1 3.26Å; D71-I130 WeakPolarHBondContact OD1-CG1 3.26Å; D71-I130 PolarHBondContact OD1-N 3.39Å; D71-I130 PolarHBondContact OD2-N 2.71Å; I130-T134 WeakPolarHBondContact O-CB 3.31Å; I130-T134 PolarHBondContact O-N 3.19Å; I130-T134 PolarHBondContact O-OG1 3.24Å; I130-L270 HydrophobicContact CD1-CD2 3.58Å; I130-F271 HydrophobicContact CD1-CZ 4.17Å
131P98.5Very high98.6Very high1 Ų114 Ų141%0.0067%0.072CC..Hα-helixtrans-60.2-53.3-171.1-28.637.7000115.2D71 A127 I128 A135 V160 A163 K323D71-P131 WeakPolarHBondContact OD2-CD 3.18Å; A127-P131 WeakPolarHBondContact O-CG 3.46Å; I128-P131 WeakPolarHBondContact O-CD 3.12Å; P131-A135 WeakPolarHBondContact O-CB 3.49Å; P131-A135 PolarHBondContact O-N 3.18Å; P131-V160 HydrophobicContact CB-CG2 4.5Å; P131-A163 HydrophobicContact CB-CB 4.42Å; P131-K323 HydrophobicContact CG-CD 4.01Å
132Y98.8Very high98.6Very high3 Ų313 Ų131%0.0126%0.064CC..Hα-helixtrans-77.6-36.7-174.1-76.8-98.7000112.3I128 T134 A135 Y136 A163 Q166 L167 L285 L294 P296I128-Y132 HydrophobicContact CB-CD2 4.44Å; I128-Y132 HydrophobicContact CG2-CD2 4.32Å; I128-Y132 HydrophobicContact CG2-CG 4.39Å; I128-Y132 WeakPolarHBondContact O-CB 3.33Å; I128-Y132 PolarHBondContact O-N 3.36Å; Y132-T134 VanDerWaalsContact C-N 3.32Å; Y132-T134 PolarHBondContact O-N 2.91Å; Y132-A135 PolarHBondContact O-N 2.94Å; Y132-Y136 WeakPolarHBondContact O-CB 3.35Å; Y132-Y136 PolarHBondContact O-N 3.27Å; Y132-A163 HydrophobicContact CD1-CB 3.6Å; Y132-A163 HydrophobicContact CD2-CB 3.68Å; Y132-A163 HydrophobicContact CE1-CB 3.69Å; Y132-A163 HydrophobicContact CE2-CB 3.82Å; Y132-A163 HydrophobicContact CG-CB 3.61Å; Y132-Q166 PolarHBondContact OH-OE1 3.2Å; Y132-L167 HydrophobicContact CD1-CD1 4.4Å; Y132-L285 HydrophobicContact CD1-CD2 4.24Å; Y132-L294 HydrophobicContact CD1-CD1 3.51Å; Y132-L294 HydrophobicContact CD1-CD2 4.16Å; Y132-L294 HydrophobicContact CD1-CG 3.75Å; Y132-L294 HydrophobicContact CE1-CD1 3.77Å; Y132-L294 HydrophobicContact CE1-CD2 3.84Å; Y132-L294 HydrophobicContact CE1-CG 3.43Å; Y132-L294 VanDerWaalsContact CE1-CG 3.43Å; Y132-L294 HydrophobicContact CE2-CD2 4.42Å; Y132-L294 HydrophobicContact CG-CD1 4.25Å; Y132-P296 HydrophobicContact CE2-CB 4.06Å; Y132-P296 HydrophobicContact CE2-CG 3.92Å; Y132-P296 VanDerWaalsContact OH-CA 3.27Å; Y132-P296 WeakPolarHBondContact OH-CA 3.44Å
133F98.6Very high98.6Very high6 Ų611 Ų113%0.0266%0.056CC..Hα-helixtrans-67.3-35.6175.5-77.7-105000111.8F93 T95 H114 G129 R137 L270 C281 A282 L285F93-F133 HydrophobicContact CE2-CE2 4.14Å; T95-F133 HydrophobicContact CG2-CD1 4.06Å; T95-F133 HydrophobicContact CG2-CD2 3.45Å; T95-F133 VanDerWaalsContact CG2-CD2 3.45Å; T95-F133 HydrophobicContact CG2-CE1 4.03Å; T95-F133 HydrophobicContact CG2-CE2 3.4Å; T95-F133 HydrophobicContact CG2-CG 3.78Å; T95-F133 HydrophobicContact CG2-CZ 3.7Å; H114-F133 AromaticContact CE1-CZ 3.88Å; H114-F133 AromaticContact NE2-CZ 3.57Å; G129-F133 WeakPolarHBondContact O-CB 3.5Å; G129-F133 WeakPolarHBondContact O-CD2 3.44Å; G129-F133 PolarHBondContact O-N 3.23Å; F133-R137 WeakPolarHBondContact O-CB 3.38Å; F133-R137 PolarHBondContact O-N 2.89Å; F133-L270 HydrophobicContact CB-CD1 3.69Å; F133-L270 HydrophobicContact CB-CD2 3.83Å; F133-L270 HydrophobicContact CB-CG 4.45Å; F133-C281 HydrophobicContact CD1-CB 3.99Å; F133-C281 WeakPolarHBondContact CD1-SG 3.49Å; F133-C281 HydrophobicContact CE1-CB 4.12Å; F133-A282 HydrophobicContact CE1-CB 4.15Å; F133-A282 HydrophobicContact CZ-CB 4.01Å; F133-L285 HydrophobicContact CD2-CD1 3.5Å; F133-L285 VanDerWaalsContact CD2-CD1 3.5Å; F133-L285 HydrophobicContact CE2-CD1 3.46Å; F133-L285 VanDerWaalsContact CE2-CD1 3.46Å; F133-L285 HydrophobicContact CG-CD1 4.11Å; F133-L285 HydrophobicContact CZ-CD1 4.03Å
134T98.7Very high98.6Very high12 Ų1215.9 Ų15.97%0.0748%0.077CC..Hα-helixtrans-68.1-46.2174.6-59.30000111.3I130 Y132 Y136 R137 A138 V160 V245I130-T134 WeakPolarHBondContact O-CB 3.31Å; I130-T134 PolarHBondContact O-N 3.19Å; I130-T134 PolarHBondContact O-OG1 3.24Å; Y132-T134 VanDerWaalsContact C-N 3.32Å; Y132-T134 PolarHBondContact O-N 2.91Å; T134-Y136 PolarHBondContact O-N 3Å; T134-R137 PolarHBondContact O-N 3.49Å; T134-A138 WeakPolarHBondContact O-CB 3.45Å; T134-A138 PolarHBondContact O-N 2.78Å; T134-V160 HydrophobicContact CG2-CG1 4.21Å; T134-V245 HydrophobicContact CG2-CG1 3.45Å; T134-V245 VanDerWaalsContact CG2-CG1 3.45Å; T134-V245 HydrophobicContact CG2-CG2 4.44Å
135A98.8Very high98.6Very high0 Ų015.1 Ų15.10%08%0.076CC..Hα-helixtrans-61.3-43.9177.600000112P131 Y132 A138 L139 V160 A163 A164 L167P131-A135 WeakPolarHBondContact O-CB 3.49Å; P131-A135 PolarHBondContact O-N 3.18Å; Y132-A135 PolarHBondContact O-N 2.94Å; A135-A138 PolarHBondContact O-N 2.68Å; A135-L139 WeakPolarHBondContact O-CB 3.39Å; A135-L139 WeakPolarHBondContact O-CG 3.44Å; A135-L139 PolarHBondContact O-N 2.86Å; A135-V160 HydrophobicContact CB-CG1 4.11Å; A135-A163 HydrophobicContact CB-CB 3.91Å; A135-A164 HydrophobicContact CB-CB 3.97Å; A135-L167 HydrophobicContact CB-CD1 3.68Å
136Y98.8Very high98.6Very high13 Ų1322.1 Ų22.15%0.05111%0.106CC..Hα-helixtrans-60.1-47.4174.6-176.3-82.1000111.2Y132 T134 A138 L139 V140 H141 L167 E280 C281 L284Y132-Y136 WeakPolarHBondContact O-CB 3.35Å; Y132-Y136 PolarHBondContact O-N 3.27Å; T134-Y136 PolarHBondContact O-N 3Å; Y136-A138 VanDerWaalsContact C-N 3.33Å; Y136-A138 PolarHBondContact O-N 3.42Å; Y136-L139 PolarHBondContact O-N 3.35Å; Y136-V140 HydrophobicContact CD1-CB 4.13Å; Y136-V140 HydrophobicContact CD1-CG2 4.35Å; Y136-V140 HydrophobicContact CD2-CG2 4Å; Y136-V140 HydrophobicContact CE1-CB 3.78Å; Y136-V140 HydrophobicContact CE1-CG1 3.98Å; Y136-V140 HydrophobicContact CE1-CG2 4.15Å; Y136-V140 HydrophobicContact CE2-CB 4.33Å; Y136-V140 HydrophobicContact CE2-CG2 3.82Å; Y136-V140 HydrophobicContact CG-CG2 4.26Å; Y136-V140 WeakPolarHBondContact O-CB 3.43Å; Y136-V140 PolarHBondContact O-N 3.48Å; Y136-H141 AromaticContact CD1-CE1 3.62Å; Y136-H141 AromaticContact CD1-ND1 3.88Å; Y136-H141 AromaticContact CE1-CE1 3.41Å; Y136-H141 VanDerWaalsContact CE1-CE1 3.41Å; Y136-H141 WeakPolarHBondContact CE1-CE1 3.33Å; Y136-H141 AromaticContact CE1-ND1 3.97Å; Y136-H141 AromaticContact CE1-NE2 3.47Å; Y136-H141 WeakPolarHBondContact CE1-NE2 3.2Å; Y136-L167 HydrophobicContact CD2-CD2 4.26Å; Y136-E280 PolarHBondContact OH-OE1 2.94Å; Y136-C281 WeakPolarHBondContact CB-SG 3.48Å; Y136-C281 HydrophobicContact CD1-CB 3.58Å; Y136-C281 HydrophobicContact CE1-CB 3.87Å; Y136-C281 HydrophobicContact CG-CB 4.01Å; Y136-L284 HydrophobicContact CD2-CB 4.41Å; Y136-L284 HydrophobicContact CD2-CD2 3.75Å; Y136-L284 HydrophobicContact CE2-CB 3.77Å; Y136-L284 HydrophobicContact CE2-CD2 3.4Å; Y136-L284 VanDerWaalsContact CE2-CD2 3.4Å; Y136-L284 HydrophobicContact CE2-CG 4.14Å
137R98.7Very high98.6Very high8 Ų825.9 Ų25.93%0.0314%0.138CC..Iπ-helixtrans-61-42.8178.6-175.4172.3-172.364.9-7112F133 T134 H141 K142 V268 S269 S272 S273 E277F133-R137 WeakPolarHBondContact O-CB 3.38Å; F133-R137 PolarHBondContact O-N 2.89Å; T134-R137 PolarHBondContact O-N 3.49Å; R137-H141 HydrophobicContact CG-CB 4.09Å; R137-H141 WeakPolarHBondContact O-CB 3.42Å; R137-H141 PolarHBondContact O-N 2.98Å; R137-K142 HydrophobicContact CG-CG 4.17Å; R137-K142 VanDerWaalsContact CZ-CE 3.5Å; R137-K142 WeakPolarHBondContact O-CB 3.36Å; R137-K142 WeakPolarHBondContact O-CG 3.46Å; R137-K142 PolarHBondContact O-N 3.13Å; R137-V268 HydrophobicContact CB-CG1 4.32Å; R137-V268 HydrophobicContact CG-CG1 3.99Å; R137-S269 WeakPolarHBondContact CD-O 3.44Å; R137-S269 PolarHBondContact NE-O 3.35Å; R137-S272 PolarHBondContact NH2-O 3.32Å; R137-S272 VanDerWaalsContact NH2-O 3.07Å; R137-S273 WeakPolarHBondContact CD-OG 3.27Å; R137-S273 PolarHBondContact NE-OG 3.01Å; R137-S273 PolarHBondContact NH1-OG 2.98Å; R137-E277 IonicContact CZ-OE1 3.08Å; R137-E277 IonicContact CZ-OE2 3.94Å; R137-E277 IonicContact NH1-OE1 3.32Å; R137-E277 PolarHBondContact NH1-OE1 3.25Å; R137-E277 IonicContact NH1-OE2 3.98Å; R137-E277 PolarHBondContact NH1-OE2 2.79Å; R137-E277 IonicContact NH2-OE1 3.31Å; R137-E277 IonicContact NH2-OE2 2.83Å; R137-E277 PolarHBondContact NH2-OE2 3.32Å
138A98.8Very high98.5Very high0 Ų028.8 Ų28.80%017%0.168CC..Iπ-helixtrans-60.8-50.6177.400000111.1T134 A135 Y136 A143 V221 V245 V268T134-A138 WeakPolarHBondContact O-CB 3.45Å; T134-A138 PolarHBondContact O-N 2.78Å; A135-A138 PolarHBondContact O-N 2.68Å; Y136-A138 VanDerWaalsContact C-N 3.33Å; Y136-A138 PolarHBondContact O-N 3.42Å; A138-A143 VanDerWaalsContact O-CB 3.24Å; A138-A143 WeakPolarHBondContact O-CB 3.47Å; A138-A143 PolarHBondContact O-N 3.42Å; A138-V221 HydrophobicContact CB-CG1 4.11Å; A138-V245 HydrophobicContact CB-CG2 3.9Å; A138-V268 HydrophobicContact CB-CG1 4.34Å; A138-V268 HydrophobicContact CB-CG2 4.12Å
139L98.8Very high98.5Very high0 Ų030.5 Ų30.50%018%0.176CC..Iπ-helixtrans-74.1-48.8-175.4-67.7166.2000113.1A135 Y136 A143 H144 A145 V151 A164 L167 S168 L171 L173 V221A135-L139 WeakPolarHBondContact O-CB 3.39Å; A135-L139 WeakPolarHBondContact O-CG 3.44Å; A135-L139 PolarHBondContact O-N 2.86Å; Y136-L139 PolarHBondContact O-N 3.35Å; L139-A143 WeakPolarHBondContact O-CB 3.41Å; L139-H144 PolarHBondContact O-N 3.21Å; L139-A145 VanDerWaalsContact O-CB 3.27Å; L139-A145 WeakPolarHBondContact O-CB 3.37Å; L139-A145 PolarHBondContact O-N 2.65Å; L139-V151 HydrophobicContact CD2-CG2 4.04Å; L139-A164 HydrophobicContact CD1-CB 4.41Å; L139-L167 HydrophobicContact CD1-CB 3.84Å; L139-S168 WeakPolarHBondContact CD1-OG 3.33Å; L139-L171 HydrophobicContact CB-CD1 4.3Å; L139-L173 HydrophobicContact CD2-CD1 4.21Å; L139-V221 HydrophobicContact CD2-CG2 3.75Å; L139-V221 HydrophobicContact CG-CG2 4.33Å
140V98.6Very high98.6Very high31 Ų3131.3 Ų31.319%0.18818%0.181CC..Iπ-helixtrans-93.1-56.6-169-175.60000111.3Y136 H144 L171Y136-V140 HydrophobicContact CD1-CB 4.13Å; Y136-V140 HydrophobicContact CD1-CG2 4.35Å; Y136-V140 HydrophobicContact CD2-CG2 4Å; Y136-V140 HydrophobicContact CE1-CB 3.78Å; Y136-V140 HydrophobicContact CE1-CG1 3.98Å; Y136-V140 HydrophobicContact CE1-CG2 4.15Å; Y136-V140 HydrophobicContact CE2-CB 4.33Å; Y136-V140 HydrophobicContact CE2-CG2 3.82Å; Y136-V140 HydrophobicContact CG-CG2 4.26Å; Y136-V140 WeakPolarHBondContact O-CB 3.43Å; Y136-V140 PolarHBondContact O-N 3.48Å; V140-H144 VanDerWaalsContact O-CA 3.27Å; V140-H144 WeakPolarHBondContact O-CA 3.01Å; V140-H144 PolarHBondContact O-N 2.85Å; V140-H144 PolarHBondContact O-ND1 2.93Å; V140-L171 HydrophobicContact CG2-CD1 3.83Å; V140-L171 HydrophobicContact CG2-CD2 4.49Å
141H98.4Very high98.6Very high21 Ų2130.6 Ų30.610%0.09718%0.177CC..Iπ-helixtrans-75.6-30-173.8-60.8140.8000113.9Y136 R137 H144 E277 E280Y136-H141 AromaticContact CD1-CE1 3.62Å; Y136-H141 AromaticContact CD1-ND1 3.88Å; Y136-H141 AromaticContact CE1-CE1 3.41Å; Y136-H141 VanDerWaalsContact CE1-CE1 3.41Å; Y136-H141 WeakPolarHBondContact CE1-CE1 3.33Å; Y136-H141 AromaticContact CE1-ND1 3.97Å; Y136-H141 AromaticContact CE1-NE2 3.47Å; Y136-H141 WeakPolarHBondContact CE1-NE2 3.2Å; R137-H141 HydrophobicContact CG-CB 4.09Å; R137-H141 WeakPolarHBondContact O-CB 3.42Å; R137-H141 PolarHBondContact O-N 2.98Å; H141-H144 PolarHBondContact O-CE1 3.36Å; H141-H144 VanDerWaalsContact O-CE1 3.24Å; H141-E277 PolarHBondContact CE1-O 2.84Å; H141-E280 IonicContact NE2-OE1 3.25Å; H141-E280 IonicContact NE2-OE2 2.9Å
142K98.6Very high98.7Very high55 Ų5530.6 Ų30.624%0.23918%0.177CC..Iπ-helixtrans-107.7-48.8-173.6-61.3-53.4178.2-159.70113R137 T243 I266 V268R137-K142 HydrophobicContact CG-CG 4.17Å; R137-K142 VanDerWaalsContact CZ-CE 3.5Å; R137-K142 WeakPolarHBondContact O-CB 3.36Å; R137-K142 WeakPolarHBondContact O-CG 3.46Å; R137-K142 PolarHBondContact O-N 3.13Å; K142-T243 HydrophobicContact CB-CG2 4.22Å; K142-I266 HydrophobicContact CB-CG2 4.08Å; K142-I266 HydrophobicContact CD-CG2 4.45Å; K142-V268 HydrophobicContact CB-CG2 4.24Å; K142-V268 HydrophobicContact CG-CG2 4.12Å
143A98.6Very high98.7Very high2 Ų230.4 Ų30.42%0.01718%0.177CC..THydrogen-bonded Turntrans-78.2-23.5174.400000111.9A138 L139 A145 V219 R241 T243A138-A143 VanDerWaalsContact O-CB 3.24Å; A138-A143 WeakPolarHBondContact O-CB 3.47Å; A138-A143 PolarHBondContact O-N 3.42Å; L139-A143 WeakPolarHBondContact O-CB 3.41Å; A143-A145 PolarHBondContact O-N 2.9Å; A143-V219 HydrophobicContact CB-CG1 3.7Å; A143-V219 HydrophobicContact CB-CG2 4.08Å; A143-R241 HydrophobicContact CB-CG 4.19Å; A143-R241 PolarHBondContact O-NE 3.02Å; A143-R241 PolarHBondContact O-NH2 2.93Å; A143-T243 HydrophobicContact CB-CG2 3.84Å
144H98.5Very high98.6Very high126 Ų12630.3 Ų30.358%0.58318%0.176SC*.  trans5244.1-169.9-52.5-65.7000111.5L139 V140 H141 R241L139-H144 PolarHBondContact O-N 3.21Å; V140-H144 VanDerWaalsContact O-CA 3.27Å; V140-H144 WeakPolarHBondContact O-CA 3.01Å; V140-H144 PolarHBondContact O-N 2.85Å; V140-H144 PolarHBondContact O-ND1 2.93Å; H141-H144 PolarHBondContact O-CE1 3.36Å; H141-H144 VanDerWaalsContact O-CE1 3.24Å; H144-R241 PolarHBondContact O-NH2 3.08Å
145A98.5Very high98.5Very high20 Ų2031 Ų3117%0.16519%0.185CC..  trans-59.8137.8-176.600000111.2L139 A143 E149 L173 V219L139-A145 VanDerWaalsContact O-CB 3.27Å; L139-A145 WeakPolarHBondContact O-CB 3.37Å; L139-A145 PolarHBondContact O-N 2.65Å; A143-A145 PolarHBondContact O-N 2.9Å; A145-E149 WeakPolarHBondContact CA-OE2 3.35Å; A145-L173 HydrophobicContact CB-CD1 3.9Å; A145-L173 HydrophobicContact CB-CD2 4.28Å; A145-V219 HydrophobicContact CB-CG2 4.41Å
146K98.4Very high98.5Very high148 Ų14831 Ų3164%0.64319%0.185SC*.  trans-117.4143.2-178.5-62.3178.5-176.5173.70110.2G148 E149 L173K146-G148 PolarHBondContact O-N 3.33Å; K146-E149 HydrophobicContact CB-CG 4.25Å; K146-E149 PolarHBondContact N-OE2 3.28Å; K146-E149 VanDerWaalsContact O-CB 3.27Å; K146-E149 WeakPolarHBondContact O-CB 3.41Å; K146-E149 WeakPolarHBondContact O-CG 3.4Å; K146-E149 PolarHBondContact O-N 3.43Å; K146-L173 WeakPolarHBondContact O-CD2 3.49Å
147A98.6Very high98.5Very high80 Ų8030.6 Ų30.666%0.66118%0.184SC*.THydrogen-bonded Turntrans-49.7137.9173.900000111.2E149 L171A147-E149 VanDerWaalsContact C-N 3.33Å; A147-L171 WeakPolarHBondContact CA-O 3.47Å; A147-L171 WeakPolarHBondContact CB-O 3.31Å
148G98.1Very high98.4Very high64 Ų6430.9 Ų30.966%0.6619%0.19SC*.THydrogen-bonded Turntrans88.4-16.9-174.800000115.2K146 G172K146-G148 PolarHBondContact O-N 3.33Å; G148-G172 PolarHBondContact N-O 3.14Å
149E98.8Very high98.3Very high36 Ų3631.8 Ų31.817%0.16820%0.199CC..  trans-67.6151.3172.5-70.2-17212700111.8A145 K146 A147 L173 R174 D218 R241A145-E149 WeakPolarHBondContact CA-OE2 3.35Å; K146-E149 HydrophobicContact CB-CG 4.25Å; K146-E149 PolarHBondContact N-OE2 3.28Å; K146-E149 VanDerWaalsContact O-CB 3.27Å; K146-E149 WeakPolarHBondContact O-CB 3.41Å; K146-E149 WeakPolarHBondContact O-CG 3.4Å; K146-E149 PolarHBondContact O-N 3.43Å; A147-E149 VanDerWaalsContact C-N 3.33Å; E149-L173 HydrophobicContact CB-CD2 4.18Å; E149-L173 WeakPolarHBondContact O-CA 3.35Å; E149-R174 PolarHBondContact O-N 2.94Å; E149-D218 WeakPolarHBondContact CA-OD2 3.16Å; E149-D218 HydrophobicContact CB-CB 3.98Å; E149-D218 HydrophobicContact CG-CB 4.1Å; E149-R241 IonicContact OE1-CZ 3.18Å; E149-R241 IonicContact OE1-NH1 2.81Å; E149-R241 PolarHBondContact OE1-NH1 3.14Å; E149-R241 IonicContact OE1-NH2 3.79Å; E149-R241 PolarHBondContact OE1-NH2 3.48Å; E149-R241 IonicContact OE2-CZ 3.83Å; E149-R241 IonicContact OE2-NH1 3.81Å; E149-R241 IonicContact OE2-NH2 2.84Å; E149-R241 PolarHBondContact OE2-NH2 3.11Å
150T98.9Very high98.3Very high17 Ų1733.2 Ų33.210%0.10421%0.208CC..EExtended strand (participates in β ladder)trans-94.7126.2174-55.90000110.3R174 L176 T212 V217 D218 V219T150-R174 CarbonylContact C-O 3.39Å; T150-R174 VanDerWaalsContact CA-O 3.29Å; T150-R174 WeakPolarHBondContact CA-O 3.11Å; T150-R174 HydrophobicContact CG2-CB 4.36Å; T150-R174 HydrophobicContact CG2-CG 4.29Å; T150-L176 HydrophobicContact CG2-CD1 3.61Å; T150-T212 HydrophobicContact CG2-CG2 4.24Å; T150-V217 HydrophobicContact CG2-CB 4.34Å; T150-V217 HydrophobicContact CG2-CG1 3.81Å; T150-D218 PolarHBondContact N-OD2 3.47Å; T150-D218 PolarHBondContact O-N 3.36Å; T150-V219 PolarHBondContact O-N 3.22Å; T150-V219 VanDerWaalsContact O-N 3.12Å
151V98.9Very high98.3Very high0 Ų031.8 Ų31.80%020%0.199CC..EExtended strand (participates in β ladder)trans-116.6132.7178.361.70000111.2L139 I153 L173 R174 V175 L176 V219 V221L139-V151 HydrophobicContact CD2-CG2 4.04Å; V151-I153 HydrophobicContact CG2-CG1 4.17Å; V151-L173 HydrophobicContact CB-CD1 4.18Å; V151-L173 HydrophobicContact CG1-CB 3.93Å; V151-L173 HydrophobicContact CG1-CD1 3.84Å; V151-R174 PolarHBondContact N-O 2.76Å; V151-V175 HydrophobicContact CG1-CB 4.33Å; V151-V175 HydrophobicContact CG1-CG1 4.35Å; V151-V175 HydrophobicContact CG1-CG2 4.05Å; V151-L176 PolarHBondContact O-N 3.44Å; V151-V219 CarbonylContact C-O 3.46Å; V151-V219 VanDerWaalsContact CA-O 3.24Å; V151-V219 WeakPolarHBondContact CA-O 3.42Å; V151-V219 HydrophobicContact CB-CB 4.18Å; V151-V219 HydrophobicContact CG2-CB 3.95Å; V151-V219 HydrophobicContact CG2-CG1 3.94Å; V151-V221 HydrophobicContact CG2-CG2 4.08Å
152L98.9Very high98.3Very high0 Ų030.9 Ų30.90%020%0.196CC..EExtended strand (participates in β ladder)trans-100.2126.2166.3177.763.6000109.9H154 L176 T178 I208 V217 V219 I220 V221 L235L152-H154 WeakPolarHBondContact CD2-NE2 3.38Å; L152-L176 CarbonylContact C-O 3.58Å; L152-L176 WeakPolarHBondContact CA-O 3.39Å; L152-L176 HydrophobicContact CD1-CB 3.82Å; L152-T178 HydrophobicContact CD1-CG2 3.96Å; L152-I208 HydrophobicContact CD1-CD1 4Å; L152-I208 HydrophobicContact CD2-CD1 4.03Å; L152-I208 HydrophobicContact CD2-CG2 4.45Å; L152-V217 HydrophobicContact CB-CB 4.45Å; L152-V217 HydrophobicContact CB-CG1 4.19Å; L152-V217 HydrophobicContact CB-CG2 4.01Å; L152-V219 PolarHBondContact N-O 3.41Å; L152-I220 HydrophobicContact CB-CG1 4.21Å; L152-I220 HydrophobicContact CD2-CG1 4.47Å; L152-I220 CarbonylContact O-C 3.49Å; L152-I220 WeakPolarHBondContact O-CA 3.3Å; L152-V221 PolarHBondContact O-N 3.32Å; L152-L235 HydrophobicContact CD2-CD1 3.81Å
153I98.9Very high98.3Very high0 Ų028.3 Ų28.30%018%0.184CC..EExtended strand (participates in β ladder)trans-108104176.3-57.7168.1000108V151 A156 A164 C165 V175 L176 G177 T178V151-I153 HydrophobicContact CG2-CG1 4.17Å; I153-A156 HydrophobicContact CB-CB 4.29Å; I153-A156 HydrophobicContact CG2-CB 4.04Å; I153-A164 HydrophobicContact CD1-CB 3.73Å; I153-A164 HydrophobicContact CG1-CB 4.16Å; I153-A164 HydrophobicContact CG2-CB 4.02Å; I153-C165 HydrophobicContact CD1-CB 4.23Å; I153-C165 VanDerWaalsContact CD1-SG 3.57Å; I153-V175 HydrophobicContact CD1-CG1 3.63Å; I153-V175 HydrophobicContact CG1-CG1 4.45Å; I153-L176 PolarHBondContact N-O 2.73Å; I153-G177 WeakPolarHBondContact O-CA 3.41Å; I153-T178 PolarHBondContact O-N 3.32Å
154H98.4Very high98.3Very high4 Ų428.2 Ų28.22%0.01918%0.183CC..THydrogen-bonded Turntrans-73.1131172.8-95.1-77.3000110.3L152 T178 Y204 V221 E222 M223 D232L152-H154 WeakPolarHBondContact CD2-NE2 3.38Å; H154-T178 WeakPolarHBondContact CA-OG1 3.42Å; H154-T178 PolarHBondContact ND1-OG1 3.44Å; H154-T178 VanDerWaalsContact ND1-OG1 3.1Å; H154-Y204 AromaticContact CE1-CE2 3.79Å; H154-Y204 PolarHBondContact CE1-OH 3.23Å; H154-V221 PolarHBondContact N-O 2.9Å; H154-E222 WeakPolarHBondContact CB-OE2 3.48Å; H154-E222 IonicContact CD2-OE2 3.31Å; H154-E222 PolarHBondContact CD2-OE2 2.82Å; H154-E222 VanDerWaalsContact CD2-OE2 3.24Å; H154-E222 IonicContact CG-OE2 3.49Å; H154-E222 VanDerWaalsContact CG-OE2 3.25Å; H154-M223 WeakPolarHBondContact O-CG 3.44Å; H154-D232 IonicContact CD2-OD1 3.91Å; H154-D232 IonicContact NE2-OD1 2.79Å
155G96.6Very high98.3Very high25 Ų2522.2 Ų22.226%0.25816%0.156SC..THydrogen-bonded Turntrans70.640.2-176.400000113.6S157 G158 T178G155-S157 PolarHBondContact O-N 2.87Å; G155-S157 VanDerWaalsContact O-N 3.08Å; G155-G158 PolarHBondContact O-N 2.85Å; G155-T178 CarbonylContact C-O 3.55Å; G155-T178 WeakPolarHBondContact CA-O 3.48Å; G155-T178 PolarHBondContact N-O 3.01Å; G155-T178 PolarHBondContact N-OG1 2.91Å
156A98.1Very high98.4Very high0 Ų022 Ų220%015%0.151CC..THydrogen-bonded Turntrans-60.3-16.2-176.600000114.9I153 G161 V162 T178 A188I153-A156 HydrophobicContact CB-CB 4.29Å; I153-A156 HydrophobicContact CG2-CB 4.04Å; A156-G161 CarbonylContact O-C 3.59Å; A156-V162 PolarHBondContact O-N 2.78Å; A156-V162 VanDerWaalsContact O-N 3.14Å; A156-T178 PolarHBondContact N-O 3.14Å; A156-A188 HydrophobicContact CB-CB 3.73Å
157S97.8Very high98.4Very high5 Ų515 Ų154%0.03512%0.121CC..THydrogen-bonded Turntrans-90.9-5.1-179.873.50000114.6G155 G184 A320 G322G155-S157 PolarHBondContact O-N 2.87Å; G155-S157 VanDerWaalsContact O-N 3.08Å; S157-G184 WeakPolarHBondContact CB-O 3.35Å; S157-A320 WeakPolarHBondContact CB-O 3.4Å; S157-A320 CarbonylContact O-C 3.58Å; S157-A320 PolarHBondContact OG-O 2.78Å; S157-G322 PolarHBondContact O-N 2.88Å
158G97.1Very high98.4Very high14 Ų1411.1 Ų11.114%0.1449%0.089CC..BIsolated β-bridgetrans-86.4178.9175.200000113.6G155 V160 G161 V162G155-G158 PolarHBondContact O-N 2.85Å; G158-V160 PolarHBondContact O-N 2.8Å; G158-G161 PolarHBondContact O-N 2.62Å; G158-V162 WeakPolarHBondContact O-CB 3.41Å; G158-V162 WeakPolarHBondContact O-CG2 3.31Å; G158-V162 PolarHBondContact O-N 2.88Å
159G97.6Very high98.4Very high20 Ų2014.4 Ų14.421%0.2068%0.082CC..Hα-helixtrans-55.4-55-178.900000113.9G161 A163G159-G161 VanDerWaalsContact C-N 3.33Å; G159-A163 PolarHBondContact O-N 2.85Å
160V98.4Very high98.4Very high29 Ų2915.1 Ų15.118%0.1769%0.094CC..Hα-helixtrans-67.5-36.5177.3-1700000110.9P131 T134 A135 G158 A163 A164 M223 V245P131-V160 HydrophobicContact CB-CG2 4.5Å; T134-V160 HydrophobicContact CG2-CG1 4.21Å; A135-V160 HydrophobicContact CB-CG1 4.11Å; G158-V160 PolarHBondContact O-N 2.8Å; V160-A163 PolarHBondContact O-N 3.14Å; V160-A164 WeakPolarHBondContact O-CB 3.31Å; V160-A164 PolarHBondContact O-N 3.5Å; V160-M223 HydrophobicContact CB-CE 3.72Å; V160-M223 HydrophobicContact CB-SD 4Å; V160-M223 HydrophobicContact CG1-CE 3.33Å; V160-M223 HydrophobicContact CG1-SD 3.97Å; V160-V245 HydrophobicContact CG1-CG1 4.44Å
161G98.4Very high98.3Very high1 Ų116.6 Ų16.61%0.0110%0.101CC..Hα-helixtrans-60.9-49.4179.300000112.8A156 G158 G159 A163 A164 C165A156-G161 CarbonylContact O-C 3.59Å; G158-G161 PolarHBondContact O-N 2.62Å; G159-G161 VanDerWaalsContact C-N 3.33Å; G161-A163 VanDerWaalsContact C-N 3.32Å; G161-A163 PolarHBondContact O-N 3.23Å; G161-A164 PolarHBondContact O-N 3.07Å; G161-C165 PolarHBondContact O-N 2.87Å; G161-C165 PolarHBondContact O-SG 3.11Å; G161-C165 VanDerWaalsContact O-SG 3.39Å
162V98.4Very high98.3Very high3 Ų318.7 Ų18.72%0.01812%0.122CC..Hα-helixtrans-60.6-43.5175.7167.80000110.8A156 G158 C165 Q166 L187 K191 V297A156-V162 PolarHBondContact O-N 2.78Å; A156-V162 VanDerWaalsContact O-N 3.14Å; G158-V162 WeakPolarHBondContact O-CB 3.41Å; G158-V162 WeakPolarHBondContact O-CG2 3.31Å; G158-V162 PolarHBondContact O-N 2.88Å; V162-C165 PolarHBondContact O-N 3.29Å; V162-Q166 PolarHBondContact O-N 3.25Å; V162-Q166 VanDerWaalsContact O-N 3.11Å; V162-L187 HydrophobicContact CG2-CD2 4.07Å; V162-L187 HydrophobicContact CG2-CG 4.26Å; V162-K191 HydrophobicContact CG1-CB 4.33Å; V162-K191 HydrophobicContact CG1-CD 4.39Å; V162-K191 HydrophobicContact CG1-CG 4.11Å; V162-V297 HydrophobicContact CG1-CB 4.1Å; V162-V297 HydrophobicContact CG1-CG2 3.73Å
163A98.8Very high98.3Very high0 Ų018.9 Ų18.90%012%0.123CC..Hα-helixtrans-60.8-45.1176.700000111.8P131 Y132 A135 G159 V160 G161 C165 Q166 L167P131-A163 HydrophobicContact CB-CB 4.42Å; Y132-A163 HydrophobicContact CD1-CB 3.6Å; Y132-A163 HydrophobicContact CD2-CB 3.68Å; Y132-A163 HydrophobicContact CE1-CB 3.69Å; Y132-A163 HydrophobicContact CE2-CB 3.82Å; Y132-A163 HydrophobicContact CG-CB 3.61Å; A135-A163 HydrophobicContact CB-CB 3.91Å; G159-A163 PolarHBondContact O-N 2.85Å; V160-A163 PolarHBondContact O-N 3.14Å; G161-A163 VanDerWaalsContact C-N 3.32Å; G161-A163 PolarHBondContact O-N 3.23Å; A163-C165 VanDerWaalsContact C-N 3.34Å; A163-C165 PolarHBondContact O-N 3Å; A163-Q166 PolarHBondContact O-N 2.99Å; A163-L167 WeakPolarHBondContact O-CB 3.29Å; A163-L167 WeakPolarHBondContact O-CG 3.35Å; A163-L167 PolarHBondContact O-N 2.79Å
164A98.8Very high98.3Very high0 Ų023.4 Ų23.40%014%0.14CC..Hα-helixtrans-64-36.7177.200000112.1A135 L139 I153 V160 G161 S168A135-A164 HydrophobicContact CB-CB 3.97Å; L139-A164 HydrophobicContact CD1-CB 4.41Å; I153-A164 HydrophobicContact CD1-CB 3.73Å; I153-A164 HydrophobicContact CG1-CB 4.16Å; I153-A164 HydrophobicContact CG2-CB 4.02Å; V160-A164 WeakPolarHBondContact O-CB 3.31Å; V160-A164 PolarHBondContact O-N 3.5Å; G161-A164 PolarHBondContact O-N 3.07Å; A164-S168 WeakPolarHBondContact O-CB 3.41Å; A164-S168 PolarHBondContact O-N 3.49Å; A164-S168 PolarHBondContact O-OG 3.24Å
165C98.8Very high98.3Very high0 Ų023.2 Ų23.20%014%0.139CC..Hα-helixtrans-63.4-47.4175.5-72.20000111.4I153 G161 V162 A163 R169 K191I153-C165 HydrophobicContact CD1-CB 4.23Å; I153-C165 VanDerWaalsContact CD1-SG 3.57Å; G161-C165 PolarHBondContact O-N 2.87Å; G161-C165 PolarHBondContact O-SG 3.11Å; G161-C165 VanDerWaalsContact O-SG 3.39Å; V162-C165 PolarHBondContact O-N 3.29Å; A163-C165 VanDerWaalsContact C-N 3.34Å; A163-C165 PolarHBondContact O-N 3Å; C165-R169 WeakPolarHBondContact O-CG 3.14Å; C165-R169 PolarHBondContact O-N 2.83Å; C165-R169 VanDerWaalsContact O-N 3.1Å; C165-K191 CarbonylContact C-O 3.43Å; C165-K191 HydrophobicContact CB-CB 4.45Å; C165-K191 WeakPolarHBondContact CB-O 3.12Å
166Q98.7Very high98.4Very high15 Ų1522 Ų227%0.0713%0.127CC..Hα-helixtrans-65.1-46.7-179.8-71.2-179-6.300111.8Y132 V162 A163 R169 A170 K191 W293 R295Y132-Q166 PolarHBondContact OH-OE1 3.2Å; V162-Q166 PolarHBondContact O-N 3.25Å; V162-Q166 VanDerWaalsContact O-N 3.11Å; A163-Q166 PolarHBondContact O-N 2.99Å; Q166-R169 PolarHBondContact O-N 2.84Å; Q166-A170 PolarHBondContact O-N 2.79Å; Q166-K191 HydrophobicContact CG-CB 4.48Å; Q166-K191 PolarHBondContact N-O 3.33Å; Q166-W293 HydrophobicContact CB-CE3 4.48Å; Q166-R295 PolarHBondContact NE2-O 3.36Å; Q166-R295 VanDerWaalsContact OE1-N 3.1Å
167L98.7Very high98.4Very high1 Ų122 Ų221%0.00513%0.127CC..Hα-helixtrans-62.1-46.8177.4-80.4163.5000111.6Y132 A135 Y136 L139 A163 R169 A170 L171 L284 L285 W293Y132-L167 HydrophobicContact CD1-CD1 4.4Å; A135-L167 HydrophobicContact CB-CD1 3.68Å; Y136-L167 HydrophobicContact CD2-CD2 4.26Å; L139-L167 HydrophobicContact CD1-CB 3.84Å; A163-L167 WeakPolarHBondContact O-CB 3.29Å; A163-L167 WeakPolarHBondContact O-CG 3.35Å; A163-L167 PolarHBondContact O-N 2.79Å; L167-R169 PolarHBondContact O-N 3.01Å; L167-A170 PolarHBondContact O-N 3.28Å; L167-A170 VanDerWaalsContact O-N 3.1Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.34Å; L167-L171 PolarHBondContact O-N 3.1Å; L167-L284 HydrophobicContact CD2-CD2 3.92Å; L167-L285 HydrophobicContact CD1-CD2 4.43Å; L167-L285 HydrophobicContact CD2-CD2 3.96Å; L167-W293 HydrophobicContact CD2-CH2 3.64Å; L167-W293 HydrophobicContact CD2-CZ3 3.92Å; L167-W293 HydrophobicContact CG-CH2 4.47Å; L167-W293 HydrophobicContact CG-CZ3 4.27Å
168S98.8Very high98.5Very high0 Ų021.8 Ų21.80%013%0.125CC..Hα-helixtrans-58.5-38178.4-62.30000112.1L139 A164 L171 G172 L173 V175L139-S168 WeakPolarHBondContact CD1-OG 3.33Å; A164-S168 WeakPolarHBondContact O-CB 3.41Å; A164-S168 PolarHBondContact O-N 3.49Å; A164-S168 PolarHBondContact O-OG 3.24Å; S168-L171 PolarHBondContact O-N 3.42Å; S168-G172 PolarHBondContact O-N 3.17Å; S168-L173 WeakPolarHBondContact O-CB 3.21Å; S168-L173 WeakPolarHBondContact O-CG 3.21Å; S168-L173 PolarHBondContact O-N 2.7Å; S168-V175 VanDerWaalsContact CB-CG2 3.4Å
169R98.4Very high98.5Very high133 Ų13321.1 Ų21.150%0.50212%0.118SC..Hα-helixtrans-66.9-44.1173.8-76.1-67.7-711712.2112.9C165 Q166 L167 L171 G172 V175 G192 H194C165-R169 WeakPolarHBondContact O-CG 3.14Å; C165-R169 PolarHBondContact O-N 2.83Å; C165-R169 VanDerWaalsContact O-N 3.1Å; Q166-R169 PolarHBondContact O-N 2.84Å; L167-R169 PolarHBondContact O-N 3.01Å; R169-L171 PolarHBondContact O-N 2.98Å; R169-G172 PolarHBondContact O-N 3.2Å; R169-G172 VanDerWaalsContact O-N 3.09Å; R169-V175 HydrophobicContact CG-CG2 4.14Å; R169-G192 WeakPolarHBondContact CD-O 3.48Å; R169-G192 VanDerWaalsContact CG-CA 3.43Å; R169-G192 VanDerWaalsContact CG-O 3.24Å; R169-G192 WeakPolarHBondContact CG-O 3.4Å; R169-H194 PolarHBondContact NH1-CE1 2.77Å; R169-H194 VanDerWaalsContact NH1-CE1 3.25Å; R169-H194 PolarHBondContact NH1-NE2 3.08Å
170A98.1Very high98.5Very high51 Ų5120.4 Ų20.442%0.42111%0.111SC..Hα-helixtrans-62.8-31.1176.500000112.3Q166 L167 G172 W293Q166-A170 PolarHBondContact O-N 2.79Å; L167-A170 PolarHBondContact O-N 3.28Å; L167-A170 VanDerWaalsContact O-N 3.1Å; A170-G172 VanDerWaalsContact C-N 3.28Å; A170-G172 PolarHBondContact O-N 3.18Å; A170-W293 HydrophobicContact CB-CD2 3.83Å; A170-W293 HydrophobicContact CB-CE3 3.89Å; A170-W293 HydrophobicContact CB-CG 4.5Å; A170-W293 HydrophobicContact CB-CH2 4.11Å; A170-W293 HydrophobicContact CB-CZ2 3.97Å; A170-W293 HydrophobicContact CB-CZ3 4.05Å
171L98.3Very high98.4Very high48 Ų4820.3 Ų20.325%0.25111%0.111SC..THydrogen-bonded Turntrans-82.40.7176-65.5171.8000113.8L139 V140 A147 L167 S168 R169 L173L139-L171 HydrophobicContact CB-CD1 4.3Å; V140-L171 HydrophobicContact CG2-CD1 3.83Å; V140-L171 HydrophobicContact CG2-CD2 4.49Å; A147-L171 WeakPolarHBondContact CA-O 3.47Å; A147-L171 WeakPolarHBondContact CB-O 3.31Å; L167-L171 WeakPolarHBondContact O-CB 3.42Å; L167-L171 VanDerWaalsContact O-CG 3.26Å; L167-L171 WeakPolarHBondContact O-CG 3.34Å; L167-L171 PolarHBondContact O-N 3.1Å; S168-L171 PolarHBondContact O-N 3.42Å; R169-L171 PolarHBondContact O-N 2.98Å; L171-L173 HydrophobicContact CB-CG 4.18Å
172G98.5Very high98.3Very high43 Ų4324.2 Ų24.244%0.44314%0.136SC..THydrogen-bonded Turntrans73.826.3178.300000114.6G148 S168 R169 A170G148-G172 PolarHBondContact N-O 3.14Å; S168-G172 PolarHBondContact O-N 3.17Å; R169-G172 PolarHBondContact O-N 3.2Å; R169-G172 VanDerWaalsContact O-N 3.09Å; A170-G172 VanDerWaalsContact C-N 3.28Å; A170-G172 PolarHBondContact O-N 3.18Å
173L98.8Very high98.2Very high5 Ų530.2 Ų30.23%0.02616%0.164CC..  trans-84.5153177.2-51.1-175.4000111.9L139 A145 K146 E149 V151 S168 L171 V175 H194L139-L173 HydrophobicContact CD2-CD1 4.21Å; A145-L173 HydrophobicContact CB-CD1 3.9Å; A145-L173 HydrophobicContact CB-CD2 4.28Å; K146-L173 WeakPolarHBondContact O-CD2 3.49Å; E149-L173 HydrophobicContact CB-CD2 4.18Å; E149-L173 WeakPolarHBondContact O-CA 3.35Å; V151-L173 HydrophobicContact CB-CD1 4.18Å; V151-L173 HydrophobicContact CG1-CB 3.93Å; V151-L173 HydrophobicContact CG1-CD1 3.84Å; S168-L173 WeakPolarHBondContact O-CB 3.21Å; S168-L173 WeakPolarHBondContact O-CG 3.21Å; S168-L173 PolarHBondContact O-N 2.7Å; L171-L173 HydrophobicContact CB-CG 4.18Å; L173-V175 HydrophobicContact CB-CG2 4.48Å; L173-H194 PolarHBondContact O-CE1 2.91Å
174R98.7Very high98.2Very high94 Ų9430.2 Ų30.236%0.35516%0.164SC..EExtended strand (participates in β ladder)trans-82.8112.4163.7-177.8179.6177-179.4-3.1108.9E149 T150 V151 L176 A211E149-R174 PolarHBondContact O-N 2.94Å; T150-R174 CarbonylContact C-O 3.39Å; T150-R174 VanDerWaalsContact CA-O 3.29Å; T150-R174 WeakPolarHBondContact CA-O 3.11Å; T150-R174 HydrophobicContact CG2-CB 4.36Å; T150-R174 HydrophobicContact CG2-CG 4.29Å; V151-R174 PolarHBondContact N-O 2.76Å; R174-L176 HydrophobicContact CG-CD1 4.26Å; R174-A211 PolarHBondContact NH2-O 2.91Å
175V98.9Very high98.1Very high0 Ų032 Ų320%017%0.173CC..EExtended strand (participates in β ladder)trans-100.7122.3-170.1-171.80000111.6V151 I153 S168 R169 L173 G192 A193 H194V151-V175 HydrophobicContact CG1-CB 4.33Å; V151-V175 HydrophobicContact CG1-CG1 4.35Å; V151-V175 HydrophobicContact CG1-CG2 4.05Å; I153-V175 HydrophobicContact CD1-CG1 3.63Å; I153-V175 HydrophobicContact CG1-CG1 4.45Å; S168-V175 VanDerWaalsContact CB-CG2 3.4Å; R169-V175 HydrophobicContact CG-CG2 4.14Å; L173-V175 HydrophobicContact CB-CG2 4.48Å; V175-G192 WeakPolarHBondContact CB-O 3.27Å; V175-A193 HydrophobicContact CG1-CB 4.3Å; V175-H194 PolarHBondContact N-CE1 3.48Å; V175-H194 PolarHBondContact N-ND1 2.78Å; V175-H194 WeakPolarHBondContact O-CB 3.2Å; V175-H194 PolarHBondContact O-N 2.88Å; V175-H194 PolarHBondContact O-ND1 3.09Å
176L98.9Very high98.1Very high0 Ų040 Ų400%021%0.207CC..EExtended strand (participates in β ladder)trans-107.9143.1164.8-76.262.8000107.8T150 V151 L152 I153 R174 C195 F197 I208 A211 T212 V217T150-L176 HydrophobicContact CG2-CD1 3.61Å; V151-L176 PolarHBondContact O-N 3.44Å; L152-L176 CarbonylContact C-O 3.58Å; L152-L176 WeakPolarHBondContact CA-O 3.39Å; L152-L176 HydrophobicContact CD1-CB 3.82Å; I153-L176 PolarHBondContact N-O 2.73Å; R174-L176 HydrophobicContact CG-CD1 4.26Å; L176-C195 WeakPolarHBondContact CA-O 3.18Å; L176-C195 HydrophobicContact CG-CB 4.25Å; L176-F197 HydrophobicContact CB-CE2 4.11Å; L176-F197 HydrophobicContact CD2-CE2 3.88Å; L176-F197 HydrophobicContact CD2-CZ 4.26Å; L176-F197 HydrophobicContact CG-CE2 3.97Å; L176-I208 HydrophobicContact CD2-CG2 4Å; L176-A211 HydrophobicContact CD2-CB 4.41Å; L176-T212 HydrophobicContact CD2-CG2 4Å; L176-V217 HydrophobicContact CD2-CG1 4.34Å
177G98.6Very high98.1Very high0 Ų040.6 Ų40.60%021%0.211CC..EExtended strand (participates in β ladder)trans-134.6150.2179.400000112.5I153 C195 A196 F197I153-G177 WeakPolarHBondContact O-CA 3.41Å; G177-C195 PolarHBondContact N-O 3.02Å; G177-A196 CarbonylContact O-C 3.39Å; G177-A196 VanDerWaalsContact O-CA 3.24Å; G177-A196 WeakPolarHBondContact O-CA 3.35Å; G177-F197 PolarHBondContact O-N 3.08Å
178T98.6Very high98Very high0 Ų040.6 Ų40.60%021%0.211CC..EExtended strand (participates in β ladder)trans-114.9144.3169.575.30000112.1L152 I153 H154 G155 A156 F197 Y204 I208L152-T178 HydrophobicContact CD1-CG2 3.96Å; I153-T178 PolarHBondContact O-N 3.32Å; H154-T178 WeakPolarHBondContact CA-OG1 3.42Å; H154-T178 PolarHBondContact ND1-OG1 3.44Å; H154-T178 VanDerWaalsContact ND1-OG1 3.1Å; G155-T178 CarbonylContact C-O 3.55Å; G155-T178 WeakPolarHBondContact CA-O 3.48Å; G155-T178 PolarHBondContact N-O 3.01Å; G155-T178 PolarHBondContact N-OG1 2.91Å; A156-T178 PolarHBondContact N-O 3.14Å; T178-F197 CarbonylContact C-O 3.58Å; T178-F197 VanDerWaalsContact CA-O 3.24Å; T178-F197 WeakPolarHBondContact CA-O 3.34Å; T178-F197 HydrophobicContact CG2-CB 4.4Å; T178-Y204 HydrophobicContact CG2-CE2 4.35Å; T178-I208 HydrophobicContact CG2-CD1 4.26Å
179A98.1Very high98Very high0 Ų044.4 Ų44.40%023%0.231CC..EExtended strand (participates in β ladder)trans-143.5164.5172.800000110.2M185 F197 N198 H199A179-M185 HydrophobicContact CB-CG 3.98Å; A179-F197 PolarHBondContact N-O 3.03Å; A179-N198 VanDerWaalsContact O-CA 3.25Å; A179-N198 WeakPolarHBondContact O-CA 3.35Å; A179-N198 PolarHBondContact O-OD1 3.33Å; A179-H199 VanDerWaalsContact C-ND1 3.29Å; A179-H199 PolarHBondContact O-N 3.32Å; A179-H199 PolarHBondContact O-ND1 3.01Å
180G96.3Very high98Very high6 Ų640.9 Ų40.96%0.06224%0.236CC..SBendtrans-96.8-3.6-175.300000114.7H199 R200G180-H199 WeakPolarHBondContact CA-NE2 3.12Å; G180-H199 PolarHBondContact N-CE1 2.68Å; G180-R200 WeakPolarHBondContact O-CD 3.41Å; G180-R200 PolarHBondContact O-NH1 3.07Å
181T96.8Very high98Very high26 Ų2641.5 Ų41.516%0.1623%0.23CC..SBendtrans-142.1156.3-177.666.20000111E183 G184 M185 P318T181-E183 VanDerWaalsContact C-N 3.26Å; T181-E183 PolarHBondContact O-N 3.17Å; T181-G184 PolarHBondContact O-N 3.46Å; T181-G184 VanDerWaalsContact O-N 3.13Å; T181-G184 PolarHBondContact OG1-N 3.28Å; T181-G184 VanDerWaalsContact OG1-N 3.09Å; T181-M185 PolarHBondContact O-N 2.9Å; T181-P318 WeakPolarHBondContact CG2-O 3.34Å
182P96.6Very high97.9Very high83 Ų8340 Ų4054%0.53923%0.225SC..Hα-helixtrans-54.4-40.2173.4-26.936.2000113.4M185 K186P182-M185 PolarHBondContact O-N 3.32Å; P182-K186 WeakPolarHBondContact O-CB 3.21Å; P182-K186 PolarHBondContact O-N 2.86Å
183E96.4Very high97.9Very high129 Ų12938.3 Ų38.360%0.60321%0.207SC*.Hα-helixtrans-66.2-40.4178.1-62.468.2-147.300111.1T181 K186 L187T181-E183 VanDerWaalsContact C-N 3.26Å; T181-E183 PolarHBondContact O-N 3.17Å; E183-K186 PolarHBondContact O-N 2.87Å; E183-L187 WeakPolarHBondContact O-CB 3.41Å; E183-L187 PolarHBondContact O-N 2.86Å
184G97.7Very high97.9Very high1 Ų142 Ų421%0.0122%0.224CC..Hα-helixtrans-65.1-39.4175.400000112.3S157 T181 L187 A188S157-G184 WeakPolarHBondContact CB-O 3.35Å; T181-G184 PolarHBondContact O-N 3.46Å; T181-G184 VanDerWaalsContact O-N 3.13Å; T181-G184 PolarHBondContact OG1-N 3.28Å; T181-G184 VanDerWaalsContact OG1-N 3.09Å; G184-L187 WeakPolarHBondContact O-CB 3.45Å; G184-L187 PolarHBondContact O-N 3.44Å; G184-A188 PolarHBondContact O-N 2.9Å
185M98.3Very high97.9Very high38 Ų3839.2 Ų39.219%0.18722%0.219CC..Hα-helixtrans-65.3-46.1174.3-70.6-167-68.100111.4A179 T181 P182 L187 A188 L189 A196 N198A179-M185 HydrophobicContact CB-CG 3.98Å; T181-M185 PolarHBondContact O-N 2.9Å; P182-M185 PolarHBondContact O-N 3.32Å; M185-L187 PolarHBondContact O-N 2.87Å; M185-A188 PolarHBondContact O-N 3.13Å; M185-A188 VanDerWaalsContact O-N 3.16Å; M185-L189 WeakPolarHBondContact O-CG 3.45Å; M185-L189 PolarHBondContact O-N 3.06Å; M185-A196 HydrophobicContact CB-CB 3.87Å; M185-A196 HydrophobicContact CG-CB 4.13Å; M185-N198 HydrophobicContact CE-CB 4.1Å; M185-N198 HydrophobicContact SD-CB 3.85Å; M185-N198 PolarHBondContact SD-N 3.46Å; M185-N198 VanDerWaalsContact SD-N 3.4Å
186K98.2Very high97.9Very high166 Ų16640.1 Ų40.172%0.72223%0.226SC*.Hα-helixtrans-58-40.2175.1-176.4178.3179.3179.40111.4P182 E183 G190P182-K186 WeakPolarHBondContact O-CB 3.21Å; P182-K186 PolarHBondContact O-N 2.86Å; E183-K186 PolarHBondContact O-N 2.87Å; K186-G190 PolarHBondContact O-N 2.86Å
187L98Very high97.8Very high29 Ų2940.7 Ų40.715%0.15223%0.228CC..Hα-helixtrans-62.7-49174.8177.160.5000111.5V162 E183 G184 M185 L189 G190 K191 V297 S321V162-L187 HydrophobicContact CG2-CD2 4.07Å; V162-L187 HydrophobicContact CG2-CG 4.26Å; E183-L187 WeakPolarHBondContact O-CB 3.41Å; E183-L187 PolarHBondContact O-N 2.86Å; G184-L187 WeakPolarHBondContact O-CB 3.45Å; G184-L187 PolarHBondContact O-N 3.44Å; M185-L187 PolarHBondContact O-N 2.87Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.49Å; L187-G190 CarbonylContact O-C 3.57Å; L187-G190 PolarHBondContact O-N 2.93Å; L187-K191 HydrophobicContact CD1-CD 4.46Å; L187-K191 HydrophobicContact CD1-CG 3.74Å; L187-K191 HydrophobicContact CG-CG 4.41Å; L187-K191 WeakPolarHBondContact O-CB 3.47Å; L187-K191 VanDerWaalsContact O-CG 3.23Å; L187-K191 WeakPolarHBondContact O-CG 3.4Å; L187-K191 PolarHBondContact O-N 3.43Å; L187-V297 HydrophobicContact CD1-CG1 3.95Å; L187-V297 HydrophobicContact CD1-CG2 4.15Å; L187-V297 HydrophobicContact CD2-CG1 4.31Å; L187-S321 VanDerWaalsContact CD2-C 3.49Å
188A98.2Very high97.8Very high0 Ų041.5 Ų41.50%023%0.233CC..Hα-helixtrans-57.1-46.4178.500000111.6A156 G184 M185 K191 G192 A193A156-A188 HydrophobicContact CB-CB 3.73Å; G184-A188 PolarHBondContact O-N 2.9Å; M185-A188 PolarHBondContact O-N 3.13Å; M185-A188 VanDerWaalsContact O-N 3.16Å; A188-K191 CarbonylContact O-C 3.57Å; A188-K191 PolarHBondContact O-N 3.03Å; A188-K191 VanDerWaalsContact O-N 3.16Å; A188-G192 PolarHBondContact O-N 2.98Å; A188-G192 VanDerWaalsContact O-N 3.17Å; A188-A193 HydrophobicContact CB-CB 4.15Å; A188-A193 WeakPolarHBondContact O-CB 3.28Å; A188-A193 PolarHBondContact O-N 2.91Å
189L98.5Very high97.7Very high81 Ų8144.8 Ų44.842%0.42425%0.248SC..Hα-helixtrans-59-49.7175.3-67.2171.5000111.4M185 L187 K191 G192 A193 A196M185-L189 WeakPolarHBondContact O-CG 3.45Å; M185-L189 PolarHBondContact O-N 3.06Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 3.49Å; L189-K191 PolarHBondContact O-N 2.88Å; L189-G192 PolarHBondContact O-N 2.79Å; L189-A193 HydrophobicContact CD2-CB 4.38Å; L189-A193 WeakPolarHBondContact CD2-O 3.46Å; L189-A196 HydrophobicContact CD1-CB 4.24Å; L189-A196 HydrophobicContact CD2-CB 3.87Å; L189-A196 HydrophobicContact CG-CB 3.75Å
190G97.9Very high97.5Very high59 Ų5951.6 Ų51.661%0.60827%0.274SS*.Hα-helixtrans-65.9-8.4178.500000114.9K186 L187K186-G190 PolarHBondContact O-N 2.86Å; L187-G190 CarbonylContact O-C 3.57Å; L187-G190 PolarHBondContact O-N 2.93Å
191K97.8Very high97.5Very high64 Ų6455.1 Ų55.128%0.27829%0.289SS..THydrogen-bonded Turntrans-116.15.8179.1-60.1-66.2155.5178.40113.7V162 C165 Q166 L187 A188 L189 V297V162-K191 HydrophobicContact CG1-CB 4.33Å; V162-K191 HydrophobicContact CG1-CD 4.39Å; V162-K191 HydrophobicContact CG1-CG 4.11Å; C165-K191 CarbonylContact C-O 3.43Å; C165-K191 HydrophobicContact CB-CB 4.45Å; C165-K191 WeakPolarHBondContact CB-O 3.12Å; Q166-K191 HydrophobicContact CG-CB 4.48Å; Q166-K191 PolarHBondContact N-O 3.33Å; L187-K191 HydrophobicContact CD1-CD 4.46Å; L187-K191 HydrophobicContact CD1-CG 3.74Å; L187-K191 HydrophobicContact CG-CG 4.41Å; L187-K191 WeakPolarHBondContact O-CB 3.47Å; L187-K191 VanDerWaalsContact O-CG 3.23Å; L187-K191 WeakPolarHBondContact O-CG 3.4Å; L187-K191 PolarHBondContact O-N 3.43Å; A188-K191 CarbonylContact O-C 3.57Å; A188-K191 PolarHBondContact O-N 3.03Å; A188-K191 VanDerWaalsContact O-N 3.16Å; L189-K191 PolarHBondContact O-N 2.88Å; K191-V297 HydrophobicContact CD-CG2 3.55Å; K191-V297 HydrophobicContact CG-CG2 4.07Å
192G96.9Very high97.3Very high15 Ų1563.2 Ų63.216%0.15533%0.325CS..THydrogen-bonded Turntrans128.7-5.9168.700000116.1R169 V175 A188 L189 H194R169-G192 WeakPolarHBondContact CD-O 3.48Å; R169-G192 VanDerWaalsContact CG-CA 3.43Å; R169-G192 VanDerWaalsContact CG-O 3.24Å; R169-G192 WeakPolarHBondContact CG-O 3.4Å; V175-G192 WeakPolarHBondContact CB-O 3.27Å; A188-G192 PolarHBondContact O-N 2.98Å; A188-G192 VanDerWaalsContact O-N 3.17Å; L189-G192 PolarHBondContact O-N 2.79Å; G192-H194 PolarHBondContact O-N 2.86Å
193A98.5Very high97.3Very high8 Ų860.8 Ų60.87%0.06631%0.314CS..  trans-66.1134.7171.600000110.1V175 A188 L189V175-A193 HydrophobicContact CG1-CB 4.3Å; A188-A193 HydrophobicContact CB-CB 4.15Å; A188-A193 WeakPolarHBondContact O-CB 3.28Å; A188-A193 PolarHBondContact O-N 2.91Å; L189-A193 HydrophobicContact CD2-CB 4.38Å; L189-A193 WeakPolarHBondContact CD2-O 3.46Å
194H98.6Very high97.3Very high83 Ų8355.1 Ų55.138%0.38429%0.288SS..SBendtrans-81.9-34.3172.3-56.171.8000110.2R169 L173 V175 G192R169-H194 PolarHBondContact NH1-CE1 2.77Å; R169-H194 VanDerWaalsContact NH1-CE1 3.25Å; R169-H194 PolarHBondContact NH1-NE2 3.08Å; L173-H194 PolarHBondContact O-CE1 2.91Å; V175-H194 PolarHBondContact N-CE1 3.48Å; V175-H194 PolarHBondContact N-ND1 2.78Å; V175-H194 WeakPolarHBondContact O-CB 3.2Å; V175-H194 PolarHBondContact O-N 2.88Å; V175-H194 PolarHBondContact O-ND1 3.09Å; G192-H194 PolarHBondContact O-N 2.86Å
195C98.2Very high97.3Very high36 Ų3656.4 Ų56.424%0.24330%0.295CS..EExtended strand (participates in β ladder)trans-133.1143.3174.4-510000109.2L176 G177 F197L176-C195 WeakPolarHBondContact CA-O 3.18Å; L176-C195 HydrophobicContact CG-CB 4.25Å; G177-C195 PolarHBondContact N-O 3.02Å; C195-F197 HydrophobicContact CB-CE2 3.77Å; C195-F197 HydrophobicContact CB-CZ 3.79Å
196A98.3Very high97.3Very high19 Ų1960 Ų6016%0.15732%0.315CS..EExtended strand (participates in β ladder)trans-127.2140174.700000110.5G177 M185 L189G177-A196 CarbonylContact O-C 3.39Å; G177-A196 VanDerWaalsContact O-CA 3.24Å; G177-A196 WeakPolarHBondContact O-CA 3.35Å; M185-A196 HydrophobicContact CB-CB 3.87Å; M185-A196 HydrophobicContact CG-CB 4.13Å; L189-A196 HydrophobicContact CD1-CB 4.24Å; L189-A196 HydrophobicContact CD2-CB 3.87Å; L189-A196 HydrophobicContact CG-CB 3.75Å
197F98.4Very high97.3Very high11 Ų1157.6 Ų57.65%0.04830%0.302CS..EExtended strand (participates in β ladder)trans-126.5144.7-177.6-51.8-89.6000110.5L176 G177 T178 A179 C195 H199 R207 I208 A211L176-F197 HydrophobicContact CB-CE2 4.11Å; L176-F197 HydrophobicContact CD2-CE2 3.88Å; L176-F197 HydrophobicContact CD2-CZ 4.26Å; L176-F197 HydrophobicContact CG-CE2 3.97Å; G177-F197 PolarHBondContact O-N 3.08Å; T178-F197 CarbonylContact C-O 3.58Å; T178-F197 VanDerWaalsContact CA-O 3.24Å; T178-F197 WeakPolarHBondContact CA-O 3.34Å; T178-F197 HydrophobicContact CG2-CB 4.4Å; A179-F197 PolarHBondContact N-O 3.03Å; C195-F197 HydrophobicContact CB-CE2 3.77Å; C195-F197 HydrophobicContact CB-CZ 3.79Å; F197-H199 PolarHBondContact O-N 3.14Å; F197-R207 HydrophobicContact CD1-CB 3.89Å; F197-R207 HydrophobicContact CE1-CB 3.83Å; F197-R207 WeakPolarHBondContact CE1-O 3.34Å; F197-I208 HydrophobicContact CB-CG1 4.5Å; F197-I208 HydrophobicContact CD1-CG1 3.99Å; F197-I208 HydrophobicContact CD2-CD1 4.13Å; F197-I208 HydrophobicContact CD2-CG1 3.52Å; F197-I208 HydrophobicContact CE1-CG1 4.05Å; F197-I208 HydrophobicContact CE2-CG1 3.6Å; F197-I208 HydrophobicContact CG-CD1 4.3Å; F197-I208 HydrophobicContact CG-CG1 3.73Å; F197-I208 HydrophobicContact CZ-CG1 3.86Å; F197-A211 HydrophobicContact CE1-CB 4.46Å; F197-A211 HydrophobicContact CZ-CB 3.82Å
198N97.6Very high97.3Very high17 Ų1756.2 Ų56.29%0.09129%0.294CS..EExtended strand (participates in β ladder)trans-86.2109.3175.3-172.2-8.5000109.4A179 M185 R200 E201 Y204A179-N198 VanDerWaalsContact O-CA 3.25Å; A179-N198 WeakPolarHBondContact O-CA 3.35Å; A179-N198 PolarHBondContact O-OD1 3.33Å; M185-N198 HydrophobicContact CE-CB 4.1Å; M185-N198 HydrophobicContact SD-CB 3.85Å; M185-N198 PolarHBondContact SD-N 3.46Å; M185-N198 VanDerWaalsContact SD-N 3.4Å; N198-R200 PolarHBondContact O-N 2.85Å; N198-R200 WeakPolarHBondContact OD1-CB 3.35Å; N198-R200 PolarHBondContact OD1-N 3.29Å; N198-R200 VanDerWaalsContact OD1-N 3.14Å; N198-E201 HydrophobicContact CB-CB 4.28Å; N198-E201 VanDerWaalsContact CB-CD 3.46Å; N198-E201 HydrophobicContact CB-CG 3.87Å; N198-E201 VanDerWaalsContact CB-OE1 3.28Å; N198-E201 WeakPolarHBondContact CB-OE1 3.28Å; N198-E201 PolarHBondContact ND2-OE1 3.48Å; N198-E201 PolarHBondContact O-N 3.38Å; N198-E201 VanDerWaalsContact O-N 3.09Å; N198-Y204 WeakPolarHBondContact O-CB 3.41Å
199H95.8Very high97.3Very high70 Ų7058.6 Ų58.632%0.32431%0.306SS..THydrogen-bonded Turntrans-71-0.4-177.858.7-118.8000113.9A179 G180 F197 Y204A179-H199 VanDerWaalsContact C-ND1 3.29Å; A179-H199 PolarHBondContact O-N 3.32Å; A179-H199 PolarHBondContact O-ND1 3.01Å; G180-H199 WeakPolarHBondContact CA-NE2 3.12Å; G180-H199 PolarHBondContact N-CE1 2.68Å; F197-H199 PolarHBondContact O-N 3.14Å; H199-Y204 HydrophobicContact CB-CE1 4.43Å; H199-Y204 HydrophobicContact CB-CE2 4.42Å
200R94.8Very high97.3Very high142 Ų14261.8 Ų61.854%0.53632%0.319SS..THydrogen-bonded Turntrans-95.2-15172.5-62.3-175168.5149.6-4.2113.7G180 N198 P318G180-R200 WeakPolarHBondContact O-CD 3.41Å; G180-R200 PolarHBondContact O-NH1 3.07Å; N198-R200 PolarHBondContact O-N 2.85Å; N198-R200 WeakPolarHBondContact OD1-CB 3.35Å; N198-R200 PolarHBondContact OD1-N 3.29Å; N198-R200 VanDerWaalsContact OD1-N 3.14Å; R200-P318 PolarHBondContact NH1-O 2.91Å; R200-P318 PolarHBondContact NH2-O 3.44Å
201E95.5Very high97.3Very high81 Ų8160.1 Ų60.138%0.37930%0.299SS..SBendtrans-80.3140.4178.1-75.6166.6-153.600110.1N198 Y204 R207N198-E201 HydrophobicContact CB-CB 4.28Å; N198-E201 VanDerWaalsContact CB-CD 3.46Å; N198-E201 HydrophobicContact CB-CG 3.87Å; N198-E201 VanDerWaalsContact CB-OE1 3.28Å; N198-E201 WeakPolarHBondContact CB-OE1 3.28Å; N198-E201 PolarHBondContact ND2-OE1 3.48Å; N198-E201 PolarHBondContact O-N 3.38Å; N198-E201 VanDerWaalsContact O-N 3.09Å; E201-Y204 WeakPolarHBondContact O-CD1 3.28Å; E201-R207 IonicContact OE2-NH1 3.85Å; E201-R207 PolarHBondContact OE2-NH1 3.15Å
202E94.1Very high97.3Very high196 Ų19657.4 Ų57.492%0.91629%0.288SS*.THydrogen-bonded Turntrans-62.7145.5170.8-66.8-176173.800110.4Y204E202-Y204 PolarHBondContact O-N 3.25Å
203G94.8Very high97.3Very high31 Ų3163.7 Ų63.732%0.3232%0.318SS..THydrogen-bonded Turntrans709.7179.200000115.5T205 D206 R207G203-T205 PolarHBondContact O-N 2.9Å; G203-T205 VanDerWaalsContact O-N 3.15Å; G203-D206 WeakPolarHBondContact O-CB 3.37Å; G203-D206 PolarHBondContact O-N 2.82Å; G203-R207 PolarHBondContact O-N 3.1Å
204Y97.3Very high97.3Very high11 Ų1165.7 Ų65.74%0.04334%0.34CS..Hα-helixtrans-58.9-29.9179.984.7-92.2000113H154 T178 N198 H199 E201 E202 R207 I208H154-Y204 AromaticContact CE1-CE2 3.79Å; H154-Y204 PolarHBondContact CE1-OH 3.23Å; T178-Y204 HydrophobicContact CG2-CE2 4.35Å; N198-Y204 WeakPolarHBondContact O-CB 3.41Å; H199-Y204 HydrophobicContact CB-CE1 4.43Å; H199-Y204 HydrophobicContact CB-CE2 4.42Å; E201-Y204 WeakPolarHBondContact O-CD1 3.28Å; E202-Y204 PolarHBondContact O-N 3.25Å; Y204-R207 PolarHBondContact O-N 2.88Å; Y204-I208 HydrophobicContact CD2-CD1 3.74Å; Y204-I208 HydrophobicContact CE2-CD1 3.9Å; Y204-I208 WeakPolarHBondContact O-CG1 2.98Å; Y204-I208 PolarHBondContact O-N 3.22Å; Y204-I208 VanDerWaalsContact O-N 3.16Å
205T97.4Very high97.2Very high28 Ų2869.7 Ų69.717%0.17235%0.351CS..Hα-helixtrans-68.4-35.8175.849.60000112.3G203 R207 I208 M209 K231 L235G203-T205 PolarHBondContact O-N 2.9Å; G203-T205 VanDerWaalsContact O-N 3.15Å; T205-R207 VanDerWaalsContact C-N 3.33Å; T205-I208 WeakPolarHBondContact O-CB 3.38Å; T205-I208 PolarHBondContact O-N 3.24Å; T205-M209 PolarHBondContact O-N 3.05Å; T205-K231 HydrophobicContact CG2-CD 4.28Å; T205-L235 HydrophobicContact CG2-CD1 4.18Å
206D97.9Very high97.2Very high112 Ų11268 Ų6860%0.59934%0.341SS*.Hα-helixtrans-68-38.9177.7-55.8-30000110.2G203 I208 M209 E210G203-D206 WeakPolarHBondContact O-CB 3.37Å; G203-D206 PolarHBondContact O-N 2.82Å; D206-I208 VanDerWaalsContact C-N 3.29Å; D206-I208 PolarHBondContact O-N 3Å; D206-M209 WeakPolarHBondContact O-CB 3.22Å; D206-M209 PolarHBondContact O-N 3.08Å; D206-M209 VanDerWaalsContact O-N 3.15Å; D206-E210 PolarHBondContact O-N 3.33Å
207R98.1Very high97.3Very high117 Ų11767.1 Ų67.144%0.44233%0.333SS..Hα-helixtrans-64.1-32.2173.3-62.9176.664.9-1720.6112.7F197 E201 G203 Y204 T205 A211F197-R207 HydrophobicContact CD1-CB 3.89Å; F197-R207 HydrophobicContact CE1-CB 3.83Å; F197-R207 WeakPolarHBondContact CE1-O 3.34Å; E201-R207 IonicContact OE2-NH1 3.85Å; E201-R207 PolarHBondContact OE2-NH1 3.15Å; G203-R207 PolarHBondContact O-N 3.1Å; Y204-R207 PolarHBondContact O-N 2.88Å; T205-R207 VanDerWaalsContact C-N 3.33Å; R207-A211 WeakPolarHBondContact O-CB 3.38Å; R207-A211 PolarHBondContact O-N 2.66Å
208I98.4Very high97.3Very high0 Ų067.1 Ų67.10%033%0.334CS..Hα-helixtrans-67.6-44.1172.3-71165.3000110.1L152 L176 T178 F197 Y204 T205 D206 A211 T212 L235L152-I208 HydrophobicContact CD1-CD1 4Å; L152-I208 HydrophobicContact CD2-CD1 4.03Å; L152-I208 HydrophobicContact CD2-CG2 4.45Å; L176-I208 HydrophobicContact CD2-CG2 4Å; T178-I208 HydrophobicContact CG2-CD1 4.26Å; F197-I208 HydrophobicContact CB-CG1 4.5Å; F197-I208 HydrophobicContact CD1-CG1 3.99Å; F197-I208 HydrophobicContact CD2-CD1 4.13Å; F197-I208 HydrophobicContact CD2-CG1 3.52Å; F197-I208 HydrophobicContact CE1-CG1 4.05Å; F197-I208 HydrophobicContact CE2-CG1 3.6Å; F197-I208 HydrophobicContact CG-CD1 4.3Å; F197-I208 HydrophobicContact CG-CG1 3.73Å; F197-I208 HydrophobicContact CZ-CG1 3.86Å; Y204-I208 HydrophobicContact CD2-CD1 3.74Å; Y204-I208 HydrophobicContact CE2-CD1 3.9Å; Y204-I208 WeakPolarHBondContact O-CG1 2.98Å; Y204-I208 PolarHBondContact O-N 3.22Å; Y204-I208 VanDerWaalsContact O-N 3.16Å; T205-I208 WeakPolarHBondContact O-CB 3.38Å; T205-I208 PolarHBondContact O-N 3.24Å; D206-I208 VanDerWaalsContact C-N 3.29Å; D206-I208 PolarHBondContact O-N 3Å; I208-A211 PolarHBondContact O-N 2.93Å; I208-T212 WeakPolarHBondContact O-CG2 3.36Å; I208-T212 PolarHBondContact O-N 3.35Å; I208-T212 PolarHBondContact O-OG1 3.48Å; I208-L235 HydrophobicContact CB-CD2 4.3Å; I208-L235 HydrophobicContact CD1-CD1 4.38Å; I208-L235 HydrophobicContact CG2-CD2 4.02Å
209M98.4Very high97.4Very high49 Ų4966.3 Ų66.324%0.24133%0.329CS..Hα-helixtrans-62.8-43.7176-68.4-57.4-68.800111.5T205 D206 A211 T212 D213 G214 L235T205-M209 PolarHBondContact O-N 3.05Å; D206-M209 WeakPolarHBondContact O-CB 3.22Å; D206-M209 PolarHBondContact O-N 3.08Å; D206-M209 VanDerWaalsContact O-N 3.15Å; M209-A211 PolarHBondContact O-N 2.73Å; M209-T212 CarbonylContact O-C 3.59Å; M209-T212 PolarHBondContact O-N 3.3Å; M209-T212 PolarHBondContact O-OG1 3.06Å; M209-D213 PolarHBondContact O-N 3.47Å; M209-G214 WeakPolarHBondContact CE-O 3.27Å; M209-G214 PolarHBondContact O-N 3.13Å; M209-L235 HydrophobicContact CG-CD2 3.78Å; M209-L235 HydrophobicContact SD-CD2 3.74Å
210E98.1Very high97.5Very high148 Ų14863 Ų6369%0.69231%0.314SS*.Hα-helixtrans-58.5-46173.9-175.5-177-17400111.5D206 T212 D213D206-E210 PolarHBondContact O-N 3.33Å; E210-T212 PolarHBondContact O-N 2.9Å; E210-D213 PolarHBondContact O-N 3.21Å
211A97.9Very high97.7Very high24 Ų2456.2 Ų56.220%0.19829%0.288CS..Hα-helixtrans-63.4-15.5177.200000113.7R174 L176 F197 R207 I208 M209R174-A211 PolarHBondContact NH2-O 2.91Å; L176-A211 HydrophobicContact CD2-CB 4.41Å; F197-A211 HydrophobicContact CE1-CB 4.46Å; F197-A211 HydrophobicContact CZ-CB 3.82Å; R207-A211 WeakPolarHBondContact O-CB 3.38Å; R207-A211 PolarHBondContact O-N 2.66Å; I208-A211 PolarHBondContact O-N 2.93Å; M209-A211 PolarHBondContact O-N 2.73Å
212T98Very high97.8Very high8 Ų852.4 Ų52.45%0.04927%0.27CS..THydrogen-bonded Turntrans-109.916.8176.559.20000112.6T150 L176 I208 M209 E210 G214 R215 G216 V217T150-T212 HydrophobicContact CG2-CG2 4.24Å; L176-T212 HydrophobicContact CD2-CG2 4Å; I208-T212 WeakPolarHBondContact O-CG2 3.36Å; I208-T212 PolarHBondContact O-N 3.35Å; I208-T212 PolarHBondContact O-OG1 3.48Å; M209-T212 CarbonylContact O-C 3.59Å; M209-T212 PolarHBondContact O-N 3.3Å; M209-T212 PolarHBondContact O-OG1 3.06Å; E210-T212 PolarHBondContact O-N 2.9Å; T212-G214 PolarHBondContact O-N 2.91Å; T212-G214 VanDerWaalsContact O-N 3.15Å; T212-R215 VanDerWaalsContact O-CB 3.29Å; T212-R215 WeakPolarHBondContact O-CB 3.31Å; T212-R215 PolarHBondContact O-N 3.12Å; T212-G216 WeakPolarHBondContact OG1-CA 3.44Å; T212-G216 PolarHBondContact OG1-N 3.04Å; T212-G216 VanDerWaalsContact OG1-N 3.1Å; T212-V217 HydrophobicContact CG2-CG1 3.92Å
213D97.4Very high98Very high146 Ų14645 Ų4578%0.78124%0.236SC*.THydrogen-bonded Turntrans54.232.7-178.9-53.6-57.8000112.6M209 E210 R215M209-D213 PolarHBondContact O-N 3.47Å; E210-D213 PolarHBondContact O-N 3.21Å; D213-R215 PolarHBondContact O-N 2.93Å
214G97.5Very high98.1Very high50 Ų5046.1 Ų46.152%0.51524%0.235SC..THydrogen-bonded Turntrans76.1-2.2-177.200000115.1M209 T212M209-G214 WeakPolarHBondContact CE-O 3.27Å; M209-G214 PolarHBondContact O-N 3.13Å; T212-G214 PolarHBondContact O-N 2.91Å; T212-G214 VanDerWaalsContact O-N 3.15Å
215R97.8Very high98.1Very high167 Ų16746 Ų4663%0.6324%0.235SC*.SBendtrans-70.5-33179.7179.6180159.4173.7-7.6112.7T212 D213 D218 A237T212-R215 VanDerWaalsContact O-CB 3.29Å; T212-R215 WeakPolarHBondContact O-CB 3.31Å; T212-R215 PolarHBondContact O-N 3.12Å; D213-R215 PolarHBondContact O-N 2.93Å; R215-D218 IonicContact CZ-OD1 3.83Å; R215-D218 IonicContact NH2-OD1 3.62Å; R215-D218 PolarHBondContact NH2-OD1 3.14Å; R215-D218 IonicContact NH2-OD2 3.67Å; R215-A237 HydrophobicContact CG-CB 4.17Å; R215-A237 WeakPolarHBondContact O-CA 3.25Å; R215-A237 WeakPolarHBondContact O-CB 3.22Å
216G98.4Very high98.1Very high2 Ų246.4 Ų46.42%0.02124%0.236CC..  trans84.7-170-168.100000113.1T212 L235T212-G216 WeakPolarHBondContact OG1-CA 3.44Å; T212-G216 PolarHBondContact OG1-N 3.04Å; T212-G216 VanDerWaalsContact OG1-N 3.1Å; G216-L235 CarbonylContact C-O 3.49Å; G216-L235 WeakPolarHBondContact CA-O 3.39Å
217V98.9Very high98Very high0 Ų044.8 Ų44.80%023%0.231CC..EExtended strand (participates in β ladder)trans-111.6146.5-175.2-59.80000112.3T150 L152 L176 T212 I220 L235 L236 A237T150-V217 HydrophobicContact CG2-CB 4.34Å; T150-V217 HydrophobicContact CG2-CG1 3.81Å; L152-V217 HydrophobicContact CB-CB 4.45Å; L152-V217 HydrophobicContact CB-CG1 4.19Å; L152-V217 HydrophobicContact CB-CG2 4.01Å; L176-V217 HydrophobicContact CD2-CG1 4.34Å; T212-V217 HydrophobicContact CG2-CG1 3.92Å; V217-I220 HydrophobicContact CG2-CD1 3.9Å; V217-I220 HydrophobicContact CG2-CG1 3.47Å; V217-I220 VanDerWaalsContact CG2-CG1 3.47Å; V217-L235 PolarHBondContact N-O 3.27Å; V217-L236 HydrophobicContact CG2-CD2 4.39Å; V217-L236 WeakPolarHBondContact O-CA 3.41Å; V217-A237 PolarHBondContact O-N 2.8Å
218D98.9Very high98Very high11 Ų1140 Ų406%0.05921%0.214CC..EExtended strand (participates in β ladder)trans-81-31.2-178.2-50.2-71.4000111.7E149 T150 R215 G240 R241E149-D218 WeakPolarHBondContact CA-OD2 3.16Å; E149-D218 HydrophobicContact CB-CB 3.98Å; E149-D218 HydrophobicContact CG-CB 4.1Å; T150-D218 PolarHBondContact N-OD2 3.47Å; T150-D218 PolarHBondContact O-N 3.36Å; R215-D218 IonicContact CZ-OD1 3.83Å; R215-D218 IonicContact NH2-OD1 3.62Å; R215-D218 PolarHBondContact NH2-OD1 3.14Å; R215-D218 IonicContact NH2-OD2 3.67Å; D218-G240 CarbonylContact O-C 3.53Å; D218-G240 VanDerWaalsContact O-CA 3.24Å; D218-G240 WeakPolarHBondContact O-CA 3.49Å; D218-R241 PolarHBondContact O-N 3.12Å; D218-R241 PolarHBondContact O-NH1 2.75Å
219V98.9Very high98Very high0 Ų040.8 Ų40.80%022%0.218CC..EExtended strand (participates in β ladder)trans-133136.2179.1-177.30000110.8A143 A145 T150 V151 L152 V221 R241A143-V219 HydrophobicContact CB-CG1 3.7Å; A143-V219 HydrophobicContact CB-CG2 4.08Å; A145-V219 HydrophobicContact CB-CG2 4.41Å; T150-V219 PolarHBondContact O-N 3.22Å; T150-V219 VanDerWaalsContact O-N 3.12Å; V151-V219 CarbonylContact C-O 3.46Å; V151-V219 VanDerWaalsContact CA-O 3.24Å; V151-V219 WeakPolarHBondContact CA-O 3.42Å; V151-V219 HydrophobicContact CB-CB 4.18Å; V151-V219 HydrophobicContact CG2-CB 3.95Å; V151-V219 HydrophobicContact CG2-CG1 3.94Å; L152-V219 PolarHBondContact N-O 3.41Å; V219-V221 HydrophobicContact CG1-CG2 4.46Å; V219-R241 CarbonylContact C-O 3.33Å; V219-R241 WeakPolarHBondContact CA-O 3.23Å; V219-R241 HydrophobicContact CG2-CG 4.48Å
220I98.9Very high98Very high0 Ų039.4 Ų39.40%022%0.216CC..EExtended strand (participates in β ladder)trans-116.6130.9165.8-59.9175.2000108.6L152 V217 E222 D232 L235 L236 R241 V242 T243L152-I220 HydrophobicContact CB-CG1 4.21Å; L152-I220 HydrophobicContact CD2-CG1 4.47Å; L152-I220 CarbonylContact O-C 3.49Å; L152-I220 WeakPolarHBondContact O-CA 3.3Å; V217-I220 HydrophobicContact CG2-CD1 3.9Å; V217-I220 HydrophobicContact CG2-CG1 3.47Å; V217-I220 VanDerWaalsContact CG2-CG1 3.47Å; I220-E222 HydrophobicContact CG2-CB 4.25Å; I220-D232 HydrophobicContact CD1-CB 3.68Å; I220-D232 WeakPolarHBondContact CD1-O 3.26Å; I220-L235 HydrophobicContact CD1-CB 4.19Å; I220-L236 HydrophobicContact CD1-CD2 3.64Å; I220-L236 HydrophobicContact CD1-CG 3.96Å; I220-L236 HydrophobicContact CG1-CD2 3.73Å; I220-R241 PolarHBondContact N-O 3.14Å; I220-V242 HydrophobicContact CB-CB 4.11Å; I220-V242 HydrophobicContact CB-CG2 4Å; I220-V242 HydrophobicContact CG2-CG2 3.99Å; I220-T243 PolarHBondContact O-N 3.27Å; I220-T243 PolarHBondContact O-OG1 2.83Å
221V98.9Very high98Very high0 Ų037.5 Ų37.50%021%0.205CC..EExtended strand (participates in β ladder)trans-103.2105.1167.6-1710000107.9A138 L139 V151 L152 H154 V219 M223 V245A138-V221 HydrophobicContact CB-CG1 4.11Å; L139-V221 HydrophobicContact CD2-CG2 3.75Å; L139-V221 HydrophobicContact CG-CG2 4.33Å; V151-V221 HydrophobicContact CG2-CG2 4.08Å; L152-V221 PolarHBondContact O-N 3.32Å; H154-V221 PolarHBondContact N-O 2.9Å; V219-V221 HydrophobicContact CG1-CG2 4.46Å; V221-M223 HydrophobicContact CB-CE 4.46Å; V221-M223 HydrophobicContact CG1-CE 3.44Å; V221-M223 VanDerWaalsContact CG1-CE 3.44Å; V221-V245 HydrophobicContact CG1-CG2 3.8Å
222E98.6Very high98Very high0 Ų036.3 Ų36.30%020%0.196CC..EExtended strand (participates in β ladder)trans-104120.6-167.2-178.949.8-127.700112.4H154 I220 L224 S225 N228 D232 V242 T243 V245 G246H154-E222 WeakPolarHBondContact CB-OE2 3.48Å; H154-E222 IonicContact CD2-OE2 3.31Å; H154-E222 PolarHBondContact CD2-OE2 2.82Å; H154-E222 VanDerWaalsContact CD2-OE2 3.24Å; H154-E222 IonicContact CG-OE2 3.49Å; H154-E222 VanDerWaalsContact CG-OE2 3.25Å; I220-E222 HydrophobicContact CG2-CB 4.25Å; E222-L224 VanDerWaalsContact OE1-CA 3.28Å; E222-L224 WeakPolarHBondContact OE1-CA 3.49Å; E222-L224 PolarHBondContact OE1-N 2.96Å; E222-S225 PolarHBondContact OE1-N 3.39Å; E222-N228 PolarHBondContact OE1-ND2 2.79Å; E222-D232 WeakPolarHBondContact CG-OD2 3.35Å; E222-V242 HydrophobicContact CB-CG2 3.67Å; E222-V242 HydrophobicContact CG-CG2 4.45Å; E222-T243 PolarHBondContact N-O 3.48Å; E222-V245 WeakPolarHBondContact O-CA 3.48Å; E222-V245 WeakPolarHBondContact O-CB 3.35Å; E222-V245 PolarHBondContact O-N 3.42Å; E222-G246 PolarHBondContact O-N 2.89Å; E222-G246 VanDerWaalsContact O-N 3.12Å
223M97.3Very high98Very high41 Ų4136 Ų3620%0.20219%0.194CC..SBendtrans-102.5-12.5-174.3-57.2-63.9171.300113.9H154 V160 V221 V245 G246H154-M223 WeakPolarHBondContact O-CG 3.44Å; V160-M223 HydrophobicContact CB-CE 3.72Å; V160-M223 HydrophobicContact CB-SD 4Å; V160-M223 HydrophobicContact CG1-CE 3.33Å; V160-M223 HydrophobicContact CG1-SD 3.97Å; V221-M223 HydrophobicContact CB-CE 4.46Å; V221-M223 HydrophobicContact CG1-CE 3.44Å; V221-M223 VanDerWaalsContact CG1-CE 3.44Å; M223-V245 HydrophobicContact CE-CB 4.44Å; M223-V245 HydrophobicContact CE-CG1 4.38Å; M223-V245 HydrophobicContact CE-CG2 4.48Å; M223-V245 HydrophobicContact SD-CB 3.73Å; M223-V245 HydrophobicContact SD-CG1 3.57Å; M223-V245 VanDerWaalsContact SD-CG1 3.57Å; M223-V245 HydrophobicContact SD-CG2 4.39Å; M223-G246 CarbonylContact C-O 3.48Å; M223-G246 CarbonylContact O-C 3.54Å; M223-G246 WeakPolarHBondContact O-CA 3.34Å
224L96.6Very high98.1Very high54 Ų5433.7 Ų33.728%0.28318%0.178SC..  trans-14657.3-176.8-165.166.5000110.5E222 N226 V227 N228 G246 R248E222-L224 VanDerWaalsContact OE1-CA 3.28Å; E222-L224 WeakPolarHBondContact OE1-CA 3.49Å; E222-L224 PolarHBondContact OE1-N 2.96Å; L224-N226 WeakPolarHBondContact CD1-OD1 3.21Å; L224-N226 PolarHBondContact O-N 3.18Å; L224-N226 VanDerWaalsContact O-N 3.08Å; L224-V227 HydrophobicContact CD2-CB 4.12Å; L224-V227 HydrophobicContact CD2-CG2 3.68Å; L224-V227 HydrophobicContact CG-CB 4.15Å; L224-V227 HydrophobicContact CG-CG2 3.8Å; L224-V227 PolarHBondContact O-N 3.05Å; L224-N228 PolarHBondContact O-N 2.68Å; L224-G246 PolarHBondContact N-O 3.44Å; L224-R248 HydrophobicContact CD1-CB 4.45Å; L224-R248 HydrophobicContact CD1-CG 3.95Å
225S97.8Very high98.1Very high8 Ų831.5 Ų31.56%0.05616%0.155CC..Hα-helixtrans-62.4-24.4-170.2750000113.5E222 V227 N228 L229 V244 G246 S247 I251E222-S225 PolarHBondContact OE1-N 3.39Å; S225-V227 PolarHBondContact O-N 3.37Å; S225-V227 VanDerWaalsContact O-N 3.11Å; S225-N228 PolarHBondContact O-N 3.07Å; S225-L229 WeakPolarHBondContact O-CB 3.44Å; S225-L229 PolarHBondContact O-N 3.21Å; S225-V244 WeakPolarHBondContact OG-CG1 3.48Å; S225-G246 PolarHBondContact N-O 2.85Å; S225-S247 WeakPolarHBondContact OG-CB 3.48Å; S225-S247 PolarHBondContact OG-OG 3.49Å; S225-I251 WeakPolarHBondContact O-CD1 3.41Å
226N97Very high98.2Very high37 Ų3723.6 Ų23.620%0.19813%0.125CC..Hα-helixtrans-67-6.3174.469.4-79.4000113.9L224 R248 G249L224-N226 WeakPolarHBondContact CD1-OD1 3.21Å; L224-N226 PolarHBondContact O-N 3.18Å; L224-N226 VanDerWaalsContact O-N 3.08Å; N226-R248 PolarHBondContact OD1-N 3.07Å; N226-G249 VanDerWaalsContact CB-O 3.25Å; N226-G249 WeakPolarHBondContact CB-O 3.31Å
227V97Very high98.2Very high79 Ų7923.7 Ų23.748%0.47913%0.126SC..Hα-helixtrans-112.6-42.5173.3178.90000111L224 S225L224-V227 HydrophobicContact CD2-CB 4.12Å; L224-V227 HydrophobicContact CD2-CG2 3.68Å; L224-V227 HydrophobicContact CG-CB 4.15Å; L224-V227 HydrophobicContact CG-CG2 3.8Å; L224-V227 PolarHBondContact O-N 3.05Å; S225-V227 PolarHBondContact O-N 3.37Å; S225-V227 VanDerWaalsContact O-N 3.11Å
228N98Very high98.1Very high17 Ų1729.8 Ų29.89%0.09115%0.154CC..Hα-helixtrans-100.6-21.4-165.9-57.2-38.7000114.7E222 L224 S225 G230 K231 D232E222-N228 PolarHBondContact OE1-ND2 2.79Å; L224-N228 PolarHBondContact O-N 2.68Å; S225-N228 PolarHBondContact O-N 3.07Å; N228-G230 VanDerWaalsContact C-N 3.29Å; N228-G230 PolarHBondContact O-N 2.8Å; N228-K231 CarbonylContact O-C 3.48Å; N228-K231 WeakPolarHBondContact O-CA 3.5Å; N228-K231 WeakPolarHBondContact O-CB 3.33Å; N228-K231 PolarHBondContact O-N 2.84Å; N228-D232 VanDerWaalsContact O-CG 3.31Å; N228-D232 PolarHBondContact O-N 3.44Å
229L98.6Very high98.1Very high16 Ų1631.2 Ų31.28%0.08417%0.171CC..Hα-helixtrans-55.3-39.4-163.3-173.761000114.1S225 K231 D232 L233 V242 V244 I251 V253 I265S225-L229 WeakPolarHBondContact O-CB 3.44Å; S225-L229 PolarHBondContact O-N 3.21Å; L229-K231 VanDerWaalsContact C-N 3.35Å; L229-K231 PolarHBondContact O-N 2.82Å; L229-D232 WeakPolarHBondContact CA-OD2 3.19Å; L229-D232 PolarHBondContact N-OD2 2.67Å; L229-D232 WeakPolarHBondContact O-CB 3.5Å; L229-D232 PolarHBondContact O-N 2.96Å; L229-L233 WeakPolarHBondContact O-CG 3.5Å; L229-L233 PolarHBondContact O-N 3.49Å; L229-V242 HydrophobicContact CD1-CG1 3.72Å; L229-V242 HydrophobicContact CD1-CG2 4.16Å; L229-V244 HydrophobicContact CD1-CG2 4.45Å; L229-I251 HydrophobicContact CB-CD1 4.27Å; L229-I251 HydrophobicContact CB-CG2 4.08Å; L229-I251 HydrophobicContact CD2-CG2 4.16Å; L229-V253 HydrophobicContact CB-CG1 4.22Å; L229-V253 HydrophobicContact CD2-CG1 3.97Å; L229-V253 HydrophobicContact CG-CG1 3.91Å; L229-I265 HydrophobicContact CD1-CD1 4.34Å; L229-I265 HydrophobicContact CD1-CG1 4.47Å; L229-I265 HydrophobicContact CD1-CG2 4.24Å; L229-I265 HydrophobicContact CD2-CD1 4.37Å
230G97.6Very high98.1Very high19 Ų1931.2 Ų31.220%0.19617%0.171CC..Hα-helixtrans-62-40.3175.400000113.2N228N228-G230 VanDerWaalsContact C-N 3.29Å; N228-G230 PolarHBondContact O-N 2.8Å
231K97.7Very high98.1Very high108 Ų10832.6 Ų32.647%0.4718%0.177SC..Hα-helixtrans-71.6-37.1175-63.5179-179.7179.40111.3T205 N228 L229 L233 Q234 L235T205-K231 HydrophobicContact CG2-CD 4.28Å; N228-K231 CarbonylContact O-C 3.48Å; N228-K231 WeakPolarHBondContact O-CA 3.5Å; N228-K231 WeakPolarHBondContact O-CB 3.33Å; N228-K231 PolarHBondContact O-N 2.84Å; L229-K231 VanDerWaalsContact C-N 3.35Å; L229-K231 PolarHBondContact O-N 2.82Å; K231-L233 VanDerWaalsContact C-N 3.28Å; K231-L233 PolarHBondContact O-N 3.48Å; K231-Q234 WeakPolarHBondContact O-CA 3.45Å; K231-Q234 WeakPolarHBondContact O-CB 3.42Å; K231-Q234 PolarHBondContact O-N 2.91Å; K231-L235 WeakPolarHBondContact O-CG 3.38Å; K231-L235 PolarHBondContact O-N 3.43Å; K231-L235 VanDerWaalsContact O-N 3.11Å
232D98.6Very high98.1Very high0 Ų032.6 Ų32.60%018%0.177CC..Hα-helixtrans-56.7-44.1178.4-62.8-24.2000111.1H154 I220 E222 N228 L229 Q234 L235 L236 V242H154-D232 IonicContact CD2-OD1 3.91Å; H154-D232 IonicContact NE2-OD1 2.79Å; I220-D232 HydrophobicContact CD1-CB 3.68Å; I220-D232 WeakPolarHBondContact CD1-O 3.26Å; E222-D232 WeakPolarHBondContact CG-OD2 3.35Å; N228-D232 VanDerWaalsContact O-CG 3.31Å; N228-D232 PolarHBondContact O-N 3.44Å; L229-D232 WeakPolarHBondContact CA-OD2 3.19Å; L229-D232 PolarHBondContact N-OD2 2.67Å; L229-D232 WeakPolarHBondContact O-CB 3.5Å; L229-D232 PolarHBondContact O-N 2.96Å; D232-Q234 PolarHBondContact O-N 2.88Å; D232-L235 PolarHBondContact O-N 3.08Å; D232-L236 WeakPolarHBondContact O-CG 3.4Å; D232-L236 PolarHBondContact O-N 2.85Å; D232-L236 VanDerWaalsContact O-N 3.16Å; D232-V242 HydrophobicContact CB-CG2 4.37Å
233L98.6Very high98.1Very high1 Ų132.6 Ų32.61%0.00518%0.177CC..Hα-helixtrans-60.3-32.3177-61.8-177.1000112.8L229 K231 L236 V242 V253 D257 T258 K261 I265L229-L233 WeakPolarHBondContact O-CG 3.5Å; L229-L233 PolarHBondContact O-N 3.49Å; K231-L233 VanDerWaalsContact C-N 3.28Å; K231-L233 PolarHBondContact O-N 3.48Å; L233-L236 HydrophobicContact CD2-CD1 4.16Å; L233-V242 HydrophobicContact CD2-CG1 4.37Å; L233-V253 HydrophobicContact CD1-CB 4.41Å; L233-D257 HydrophobicContact CB-CB 3.87Å; L233-D257 HydrophobicContact CD1-CB 4.21Å; L233-T258 HydrophobicContact CD1-CG2 3.9Å; L233-T258 HydrophobicContact CD2-CG2 3.94Å; L233-T258 HydrophobicContact CG-CG2 4.48Å; L233-K261 PolarHBondContact O-NZ 3.21Å; L233-I265 HydrophobicContact CD1-CD1 4.26Å; L233-I265 HydrophobicContact CD2-CD1 4.02Å; L233-I265 HydrophobicContact CD2-CG1 3.87Å
234Q97.7Very high98.2Very high98 Ų9832 Ų3246%0.45818%0.175SC..Hα-helixtrans-74.7-27175.7-60.9-63.3-24.500112.7K231 D232 D257 K261K231-Q234 WeakPolarHBondContact O-CA 3.45Å; K231-Q234 WeakPolarHBondContact O-CB 3.42Å; K231-Q234 PolarHBondContact O-N 2.91Å; D232-Q234 PolarHBondContact O-N 2.88Å; Q234-D257 PolarHBondContact NE2-OD1 3.42Å; Q234-D257 PolarHBondContact NE2-OD2 2.84Å; Q234-K261 PolarHBondContact O-NZ 2.98Å
235L98.6Very high98.3Very high4 Ų431 Ų312%0.02117%0.171CC..Hα-helixtrans-84-16.3178.6-66.2175.2000114L152 T205 I208 M209 G216 V217 I220 K231 D232L152-L235 HydrophobicContact CD2-CD1 3.81Å; T205-L235 HydrophobicContact CG2-CD1 4.18Å; I208-L235 HydrophobicContact CB-CD2 4.3Å; I208-L235 HydrophobicContact CD1-CD1 4.38Å; I208-L235 HydrophobicContact CG2-CD2 4.02Å; M209-L235 HydrophobicContact CG-CD2 3.78Å; M209-L235 HydrophobicContact SD-CD2 3.74Å; G216-L235 CarbonylContact C-O 3.49Å; G216-L235 WeakPolarHBondContact CA-O 3.39Å; V217-L235 PolarHBondContact N-O 3.27Å; I220-L235 HydrophobicContact CD1-CB 4.19Å; K231-L235 WeakPolarHBondContact O-CG 3.38Å; K231-L235 PolarHBondContact O-N 3.43Å; K231-L235 VanDerWaalsContact O-N 3.11Å; D232-L235 PolarHBondContact O-N 3.08Å
236L98.8Very high98.1Very high1 Ų131.5 Ų31.51%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-68.2140.2-179.2-70.9174.6000112.2V217 I220 D232 L233 K261V217-L236 HydrophobicContact CG2-CD2 4.39Å; V217-L236 WeakPolarHBondContact O-CA 3.41Å; I220-L236 HydrophobicContact CD1-CD2 3.64Å; I220-L236 HydrophobicContact CD1-CG 3.96Å; I220-L236 HydrophobicContact CG1-CD2 3.73Å; D232-L236 WeakPolarHBondContact O-CG 3.4Å; D232-L236 PolarHBondContact O-N 2.85Å; D232-L236 VanDerWaalsContact O-N 3.16Å; L233-L236 HydrophobicContact CD2-CD1 4.16Å; L236-K261 HydrophobicContact CB-CD 4.47Å; L236-K261 VanDerWaalsContact O-CD 3.28Å; L236-K261 WeakPolarHBondContact O-CD 3.43Å; L236-K261 VanDerWaalsContact O-CE 3.24Å; L236-K261 WeakPolarHBondContact O-CE 3.49Å; L236-K261 PolarHBondContact O-NZ 3.37Å
237A98.7Very high97.9Very high4 Ų432.4 Ų32.43%0.03319%0.187CC..EExtended strand (participates in β ladder)trans-72.3169.9162.900000110.8R215 V217 G239 G240R215-A237 HydrophobicContact CG-CB 4.17Å; R215-A237 WeakPolarHBondContact O-CA 3.25Å; R215-A237 WeakPolarHBondContact O-CB 3.22Å; V217-A237 PolarHBondContact O-N 2.8Å; A237-G239 PolarHBondContact O-N 2.85Å; A237-G240 WeakPolarHBondContact O-CA 3.47Å; A237-G240 PolarHBondContact O-N 2.89Å
238H98.4Very high97.6Very high127 Ų12734.3 Ų34.359%0.58819%0.186SC*.EExtended strand (participates in β ladder)trans-60.6133.1170.8-176.486.7000110.5G240 A260 K261 E262H238-G240 PolarHBondContact O-N 3.03Å; H238-A260 PolarHBondContact ND1-O 2.95Å; H238-K261 CarbonylContact C-O 3.53Å; H238-K261 WeakPolarHBondContact CA-O 3.5Å; H238-K261 PolarHBondContact ND1-O 3.09Å; H238-E262 IonicContact CE1-OE2 3.39Å; H238-E262 IonicContact NE2-OE2 3.52Å
239G98.5Very high97.3Very high42 Ų4235.5 Ų35.543%0.43320%0.202SC..EExtended strand (participates in β ladder)trans72.84.9-169.800000114.6A237 K261A237-G239 PolarHBondContact O-N 2.85Å; G239-K261 PolarHBondContact N-O 2.76Å
240G98.8Very high97.1Very high0 Ų040.4 Ų40.40%024%0.238CC..EExtended strand (participates in β ladder)trans-66.9156.4-176.400000113.2D218 A237 H238 S263 S264D218-G240 CarbonylContact O-C 3.53Å; D218-G240 VanDerWaalsContact O-CA 3.24Å; D218-G240 WeakPolarHBondContact O-CA 3.49Å; A237-G240 WeakPolarHBondContact O-CA 3.47Å; A237-G240 PolarHBondContact O-N 2.89Å; H238-G240 PolarHBondContact O-N 3.03Å; G240-S263 CarbonylContact O-C 3.53Å; G240-S263 WeakPolarHBondContact O-CA 3.34Å; G240-S263 WeakPolarHBondContact O-CB 3.44Å; G240-S264 PolarHBondContact O-N 3.41Å
241R98.8Very high97.1Very high29 Ų2942.3 Ų42.311%0.10924%0.243CC..EExtended strand (participates in β ladder)trans-136.3140.3175.956.8-97.2-172.6-129.93.6113.9A143 H144 E149 D218 V219 I220 S264 I266A143-R241 HydrophobicContact CB-CG 4.19Å; A143-R241 PolarHBondContact O-NE 3.02Å; A143-R241 PolarHBondContact O-NH2 2.93Å; H144-R241 PolarHBondContact O-NH2 3.08Å; E149-R241 IonicContact OE1-CZ 3.18Å; E149-R241 IonicContact OE1-NH1 2.81Å; E149-R241 PolarHBondContact OE1-NH1 3.14Å; E149-R241 IonicContact OE1-NH2 3.79Å; E149-R241 PolarHBondContact OE1-NH2 3.48Å; E149-R241 IonicContact OE2-CZ 3.83Å; E149-R241 IonicContact OE2-NH1 3.81Å; E149-R241 IonicContact OE2-NH2 2.84Å; E149-R241 PolarHBondContact OE2-NH2 3.11Å; D218-R241 PolarHBondContact O-N 3.12Å; D218-R241 PolarHBondContact O-NH1 2.75Å; V219-R241 CarbonylContact C-O 3.33Å; V219-R241 WeakPolarHBondContact CA-O 3.23Å; V219-R241 HydrophobicContact CG2-CG 4.48Å; I220-R241 PolarHBondContact N-O 3.14Å; R241-S264 VanDerWaalsContact CA-O 3.31Å; R241-S264 WeakPolarHBondContact CA-O 3.42Å; R241-I266 HydrophobicContact CB-CD1 4.03Å; R241-I266 HydrophobicContact CG-CD1 4.35Å
242V98.9Very high97.1Very high0 Ų046 Ų460%026%0.261CS..EExtended strand (participates in β ladder)trans-99.2127.6167.1590000110I220 E222 L229 D232 L233 V244 S264 I265 I266I220-V242 HydrophobicContact CB-CB 4.11Å; I220-V242 HydrophobicContact CB-CG2 4Å; I220-V242 HydrophobicContact CG2-CG2 3.99Å; E222-V242 HydrophobicContact CB-CG2 3.67Å; E222-V242 HydrophobicContact CG-CG2 4.45Å; L229-V242 HydrophobicContact CD1-CG1 3.72Å; L229-V242 HydrophobicContact CD1-CG2 4.16Å; D232-V242 HydrophobicContact CB-CG2 4.37Å; L233-V242 HydrophobicContact CD2-CG1 4.37Å; V242-V244 HydrophobicContact CG2-CG2 4.48Å; V242-S264 PolarHBondContact N-O 3.21Å; V242-I265 HydrophobicContact CG1-CB 4.03Å; V242-I265 HydrophobicContact CG1-CG1 3.76Å; V242-I265 HydrophobicContact CG1-CG2 4.01Å; V242-I266 PolarHBondContact O-N 2.78Å
243T98.9Very high97.1Very high0 Ų048.3 Ų48.30%028%0.276CS..EExtended strand (participates in β ladder)trans-100.9108.9173.154.90000109.3K142 A143 I220 E222 V245 I266 V268K142-T243 HydrophobicContact CB-CG2 4.22Å; A143-T243 HydrophobicContact CB-CG2 3.84Å; I220-T243 PolarHBondContact O-N 3.27Å; I220-T243 PolarHBondContact O-OG1 2.83Å; E222-T243 PolarHBondContact N-O 3.48Å; T243-V245 PolarHBondContact O-N 2.88Å; T243-I266 CarbonylContact C-O 3.52Å; T243-I266 WeakPolarHBondContact CA-O 3.33Å; T243-V268 HydrophobicContact CG2-CG2 4.38Å
244V98.6Very high97.1Very high28 Ų2852 Ų5217%0.1730%0.296CS..EExtended strand (participates in β ladder)trans-81.8103.1-177.7179.60000108.8S225 L229 V242 I265 I266 V268S225-V244 WeakPolarHBondContact OG-CG1 3.48Å; L229-V244 HydrophobicContact CD1-CG2 4.45Å; V242-V244 HydrophobicContact CG2-CG2 4.48Å; V244-I265 HydrophobicContact CG2-CG2 3.92Å; V244-I266 PolarHBondContact N-O 3.31Å; V244-V268 PolarHBondContact O-N 3.32Å
245V98.1Very high97.1Very high32 Ų3251.5 Ų51.519%0.19430%0.301CS..  trans-93.9-37.1177.7176.10000111.2T134 A138 V160 V221 E222 M223 T243 V268T134-V245 HydrophobicContact CG2-CG1 3.45Å; T134-V245 VanDerWaalsContact CG2-CG1 3.45Å; T134-V245 HydrophobicContact CG2-CG2 4.44Å; A138-V245 HydrophobicContact CB-CG2 3.9Å; V160-V245 HydrophobicContact CG1-CG1 4.44Å; V221-V245 HydrophobicContact CG1-CG2 3.8Å; E222-V245 WeakPolarHBondContact O-CA 3.48Å; E222-V245 WeakPolarHBondContact O-CB 3.35Å; E222-V245 PolarHBondContact O-N 3.42Å; M223-V245 HydrophobicContact CE-CB 4.44Å; M223-V245 HydrophobicContact CE-CG1 4.38Å; M223-V245 HydrophobicContact CE-CG2 4.48Å; M223-V245 HydrophobicContact SD-CB 3.73Å; M223-V245 HydrophobicContact SD-CG1 3.57Å; M223-V245 VanDerWaalsContact SD-CG1 3.57Å; M223-V245 HydrophobicContact SD-CG2 4.39Å; T243-V245 PolarHBondContact O-N 2.88Å; V245-V268 HydrophobicContact CG2-CB 4.2Å; V245-V268 HydrophobicContact CG2-CG2 4.2Å
246G94.3Very high97.1Very high20 Ų2059.5 Ų59.521%0.20633%0.331CS..  trans-137.7141.1-177.900000113.2E222 M223 L224 S225E222-G246 PolarHBondContact O-N 2.89Å; E222-G246 VanDerWaalsContact O-N 3.12Å; M223-G246 CarbonylContact C-O 3.48Å; M223-G246 CarbonylContact O-C 3.54Å; M223-G246 WeakPolarHBondContact O-CA 3.34Å; L224-G246 PolarHBondContact N-O 3.44Å; S225-G246 PolarHBondContact N-O 2.85Å
247S93.6Very high97Very high56 Ų5661 Ų6139%0.39234%0.339SS..  trans-151.1143.6172.3-176.80000109.8S225 G249S225-S247 WeakPolarHBondContact OG-CB 3.48Å; S225-S247 PolarHBondContact OG-OG 3.49Å; S247-G249 PolarHBondContact OG-O 2.85Å
248R90.6Very high97Very high119 Ų11962.6 Ų62.645%0.44935%0.348SS..SBendtrans-120.78.8178.7-58.4-179.4-174.3-180-1.1113Y52 L224 N226Y52-R248 PolarHBondContact OH-NE 2.98Å; L224-R248 HydrophobicContact CD1-CB 4.45Å; L224-R248 HydrophobicContact CD1-CG 3.95Å; N226-R248 PolarHBondContact OD1-N 3.07Å
249G91.3Very high97Very high42 Ų4262.3 Ų62.343%0.43335%0.348SS..SBendtrans179.1-171.4-177.300000113.7N226 S247N226-G249 VanDerWaalsContact CB-O 3.25Å; N226-G249 WeakPolarHBondContact CB-O 3.31Å; S247-G249 PolarHBondContact OG-O 2.85Å
250S95.2Very high96.9Very high119 Ų11964.5 Ų64.583%0.83236%0.363SS*.  trans-83.8160.4171.153.90000111.5
251I97.5Very high96.9Very high58 Ų5866.6 Ų66.630%0.29737%0.372SS..  trans-146145.5171-176.9161.4000108.9S225 L229 V253S225-I251 WeakPolarHBondContact O-CD1 3.41Å; L229-I251 HydrophobicContact CB-CD1 4.27Å; L229-I251 HydrophobicContact CB-CG2 4.08Å; L229-I251 HydrophobicContact CD2-CG2 4.16Å; I251-V253 HydrophobicContact CG2-CG1 4.23Å
252E97.7Very high96.9Very high185 Ų18572 Ų7286%0.86440%0.398SS*.  trans-82.9131.6168.6-171.117914100109.5
253V97.8Very high96.9Very high50 Ų5072.5 Ų72.530%0.30340%0.402SS..  trans-129.5151176.4-66.30000109L229 L233 I251 P255L229-V253 HydrophobicContact CB-CG1 4.22Å; L229-V253 HydrophobicContact CD2-CG1 3.97Å; L229-V253 HydrophobicContact CG-CG1 3.91Å; L233-V253 HydrophobicContact CD1-CB 4.41Å; I251-V253 HydrophobicContact CG2-CG1 4.23Å; V253-P255 WeakPolarHBondContact O-CD 3.5Å
254N98Very high96.9Very high79 Ų7975.4 Ų75.442%0.42242%0.422SS..  trans-96.5107.7171.4177.68.9000109.3R256 D257N254-R256 PolarHBondContact O-N 2.85Å; N254-R256 WeakPolarHBondContact OD1-CB 3.5Å; N254-R256 PolarHBondContact OD1-N 3.04Å; N254-R256 VanDerWaalsContact OD1-N 3.08Å; N254-D257 PolarHBondContact ND2-OD1 3.29Å; N254-D257 VanDerWaalsContact O-CB 3.28Å; N254-D257 WeakPolarHBondContact O-CB 3.38Å; N254-D257 VanDerWaalsContact O-CG 3.3Å; N254-D257 PolarHBondContact O-N 3.39Å
255P98.2Very high96.9Very high87 Ų8777.8 Ų77.857%0.56543%0.433SS*.THydrogen-bonded Turntrans-60.5-19.9-179.8-24.535.9000113.7V253 D257 T258V253-P255 WeakPolarHBondContact O-CD 3.5Å; P255-D257 PolarHBondContact O-N 2.98Å; P255-T258 PolarHBondContact O-N 3Å; P255-T258 VanDerWaalsContact O-N 3.15Å; P255-T258 PolarHBondContact O-OG1 2.52Å
256R98.1Very high96.9Very high171 Ų17178.5 Ų78.565%0.64544%0.435SS*.Hα-helixtrans-61-27.9174.8-171.6174-64.5-77.1-2112.5N254 T258 M259N254-R256 PolarHBondContact O-N 2.85Å; N254-R256 WeakPolarHBondContact OD1-CB 3.5Å; N254-R256 PolarHBondContact OD1-N 3.04Å; N254-R256 VanDerWaalsContact OD1-N 3.08Å; R256-T258 PolarHBondContact O-N 2.85Å; R256-M259 HydrophobicContact CB-SD 4.42Å; R256-M259 HydrophobicContact CG-SD 4.34Å; R256-M259 PolarHBondContact O-N 3.3Å; R256-M259 VanDerWaalsContact O-N 3.1Å
257D97.9Very high97.1Very high34 Ų3480.3 Ų80.318%0.18245%0.454CS..Hα-helixtrans-64.4-22.8179.9-59.8-14.9000111.9L233 Q234 N254 P255L233-D257 HydrophobicContact CB-CB 3.87Å; L233-D257 HydrophobicContact CD1-CB 4.21Å; Q234-D257 PolarHBondContact NE2-OD1 3.42Å; Q234-D257 PolarHBondContact NE2-OD2 2.84Å; N254-D257 PolarHBondContact ND2-OD1 3.29Å; N254-D257 VanDerWaalsContact O-CB 3.28Å; N254-D257 WeakPolarHBondContact O-CB 3.38Å; N254-D257 VanDerWaalsContact O-CG 3.3Å; N254-D257 PolarHBondContact O-N 3.39Å; P255-D257 PolarHBondContact O-N 2.98Å
258T98.6Very high97.3Very high36 Ų3678.5 Ų78.522%0.22144%0.441CS..Hα-helixtrans-85-24.3176.171.40000113.6L233 P255 R256 E262 S263L233-T258 HydrophobicContact CD1-CG2 3.9Å; L233-T258 HydrophobicContact CD2-CG2 3.94Å; L233-T258 HydrophobicContact CG-CG2 4.48Å; P255-T258 PolarHBondContact O-N 3Å; P255-T258 VanDerWaalsContact O-N 3.15Å; P255-T258 PolarHBondContact O-OG1 2.52Å; R256-T258 PolarHBondContact O-N 2.85Å; T258-E262 WeakPolarHBondContact O-CA 3.32Å; T258-E262 PolarHBondContact O-N 3.05Å; T258-S263 VanDerWaalsContact CA-OG 3.27Å; T258-S263 WeakPolarHBondContact CA-OG 3.36Å; T258-S263 WeakPolarHBondContact CB-OG 3.31Å; T258-S263 PolarHBondContact O-N 2.76Å
259M98.5Very high97.5Very high121 Ų12175 Ų7560%0.59643%0.434SS*.Hα-helixtrans-70.2-52.3-166-64.4173.663.800112.6R256 K261 E262R256-M259 HydrophobicContact CB-SD 4.42Å; R256-M259 HydrophobicContact CG-SD 4.34Å; R256-M259 PolarHBondContact O-N 3.3Å; R256-M259 VanDerWaalsContact O-N 3.1Å; M259-K261 VanDerWaalsContact C-N 3.26Å; M259-K261 PolarHBondContact O-N 3.04Å; M259-E262 PolarHBondContact O-N 3.35Å
260A96.2Very high97.6Very high89 Ų8974 Ų7474%0.73642%0.419SS*.THydrogen-bonded Turntrans-69.1-27.5-177.100000112.8H238H238-A260 PolarHBondContact ND1-O 2.95Å
261K98.3Very high97.3Very high43 Ų4373.3 Ų73.319%0.18740%0.401CS..THydrogen-bonded Turntrans-90.1-8.2178-65.4173.4177.1-165.70112.5L233 Q234 L236 H238 G239 M259 S263L233-K261 PolarHBondContact O-NZ 3.21Å; Q234-K261 PolarHBondContact O-NZ 2.98Å; L236-K261 HydrophobicContact CB-CD 4.47Å; L236-K261 VanDerWaalsContact O-CD 3.28Å; L236-K261 WeakPolarHBondContact O-CD 3.43Å; L236-K261 VanDerWaalsContact O-CE 3.24Å; L236-K261 WeakPolarHBondContact O-CE 3.49Å; L236-K261 PolarHBondContact O-NZ 3.37Å; H238-K261 CarbonylContact C-O 3.53Å; H238-K261 WeakPolarHBondContact CA-O 3.5Å; H238-K261 PolarHBondContact ND1-O 3.09Å; G239-K261 PolarHBondContact N-O 2.76Å; M259-K261 VanDerWaalsContact C-N 3.26Å; M259-K261 PolarHBondContact O-N 3.04Å; K261-S263 PolarHBondContact O-N 3.39Å; K261-S263 VanDerWaalsContact O-N 3.13Å
262E98.5Very high97.2Very high142 Ų14274.4 Ų74.466%0.66441%0.414SS*.THydrogen-bonded Turntrans46.939.6-170.1-57.6-167.3134.600112.3H238 T258 M259H238-E262 IonicContact CE1-OE2 3.39Å; H238-E262 IonicContact NE2-OE2 3.52Å; T258-E262 WeakPolarHBondContact O-CA 3.32Å; T258-E262 PolarHBondContact O-N 3.05Å; M259-E262 PolarHBondContact O-N 3.35Å
263S98.8Very high97Very high12 Ų1266.2 Ų66.28%0.08438%0.377CS..  trans-88.3157.1-170.969.80000112.5G240 T258 K261G240-S263 CarbonylContact O-C 3.53Å; G240-S263 WeakPolarHBondContact O-CA 3.34Å; G240-S263 WeakPolarHBondContact O-CB 3.44Å; T258-S263 VanDerWaalsContact CA-OG 3.27Å; T258-S263 WeakPolarHBondContact CA-OG 3.36Å; T258-S263 WeakPolarHBondContact CB-OG 3.31Å; T258-S263 PolarHBondContact O-N 2.76Å; K261-S263 PolarHBondContact O-N 3.39Å; K261-S263 VanDerWaalsContact O-N 3.13Å
264S98.8Very high96.9Very high60 Ų6066.7 Ų66.742%0.4238%0.38SS..EExtended strand (participates in β ladder)trans-117.5145.9-176.9-63.60000114G240 R241 V242G240-S264 PolarHBondContact O-N 3.41Å; R241-S264 VanDerWaalsContact CA-O 3.31Å; R241-S264 WeakPolarHBondContact CA-O 3.42Å; V242-S264 PolarHBondContact N-O 3.21Å
265I98.8Very high96.7Very high79 Ų7966.4 Ų66.441%0.40538%0.383SS..EExtended strand (participates in β ladder)trans-110.1120.5167.3-54.5173.8000107.9L229 L233 V242 V244L229-I265 HydrophobicContact CD1-CD1 4.34Å; L229-I265 HydrophobicContact CD1-CG1 4.47Å; L229-I265 HydrophobicContact CD1-CG2 4.24Å; L229-I265 HydrophobicContact CD2-CD1 4.37Å; L233-I265 HydrophobicContact CD1-CD1 4.26Å; L233-I265 HydrophobicContact CD2-CD1 4.02Å; L233-I265 HydrophobicContact CD2-CG1 3.87Å; V242-I265 HydrophobicContact CG1-CB 4.03Å; V242-I265 HydrophobicContact CG1-CG1 3.76Å; V242-I265 HydrophobicContact CG1-CG2 4.01Å; V244-I265 HydrophobicContact CG2-CG2 3.92Å
266I98.8Very high96.6Very high47 Ų4767.3 Ų67.324%0.24138%0.379CS..EExtended strand (participates in β ladder)trans-127.5121.1-170.7-52.3173.3000110K142 R241 V242 T243 V244K142-I266 HydrophobicContact CB-CG2 4.08Å; K142-I266 HydrophobicContact CD-CG2 4.45Å; R241-I266 HydrophobicContact CB-CD1 4.03Å; R241-I266 HydrophobicContact CG-CD1 4.35Å; V242-I266 PolarHBondContact O-N 2.78Å; T243-I266 CarbonylContact C-O 3.52Å; T243-I266 WeakPolarHBondContact CA-O 3.33Å; V244-I266 PolarHBondContact N-O 3.31Å
267G98.3Very high96.6Very high58 Ų5860.8 Ų60.860%0.59836%0.356SS*.EExtended strand (participates in β ladder)trans-74.2139.8174.800000113
268V97.6Very high96.4Very high18 Ų1862.3 Ų62.311%0.10936%0.361CS..  trans-116.6119.5175.9-171.90000110.3R137 A138 K142 T243 V244 V245R137-V268 HydrophobicContact CB-CG1 4.32Å; R137-V268 HydrophobicContact CG-CG1 3.99Å; A138-V268 HydrophobicContact CB-CG1 4.34Å; A138-V268 HydrophobicContact CB-CG2 4.12Å; K142-V268 HydrophobicContact CB-CG2 4.24Å; K142-V268 HydrophobicContact CG-CG2 4.12Å; T243-V268 HydrophobicContact CG2-CG2 4.38Å; V244-V268 PolarHBondContact O-N 3.32Å; V245-V268 HydrophobicContact CG2-CB 4.2Å; V245-V268 HydrophobicContact CG2-CG2 4.2Å
269S94.3Very high96.2Very high45 Ų4568 Ų6832%0.31538%0.379SS..  trans-126.7115.7170.6168.70000109.2R137 F271 S272R137-S269 WeakPolarHBondContact CD-O 3.44Å; R137-S269 PolarHBondContact NE-O 3.35Å; S269-F271 VanDerWaalsContact C-N 3.3Å; S269-F271 PolarHBondContact O-N 2.84Å; S269-S272 WeakPolarHBondContact CB-OG 3.44Å; S269-S272 PolarHBondContact O-N 3.11Å; S269-S272 PolarHBondContact OG-N 3.24Å; S269-S272 PolarHBondContact OG-OG 2.91Å
270L94.1Very high96.2Very high21 Ų2166.8 Ų66.811%0.1137%0.372CS..G310 helixtrans-64.2-36.2177.3177.257.9000111.7I130 F133 S272 S273I130-L270 HydrophobicContact CD1-CD2 3.58Å; F133-L270 HydrophobicContact CB-CD1 3.69Å; F133-L270 HydrophobicContact CB-CD2 3.83Å; F133-L270 HydrophobicContact CB-CG 4.45Å; L270-S272 PolarHBondContact O-N 2.83Å; L270-S273 VanDerWaalsContact O-CB 3.31Å; L270-S273 WeakPolarHBondContact O-CB 3.38Å; L270-S273 PolarHBondContact O-N 2.84Å; L270-S273 VanDerWaalsContact O-N 3.07Å; L270-S273 PolarHBondContact O-OG 2.84Å
271F89.9Confident96.2Very high104 Ų10462.7 Ų62.746%0.45634%0.338SS..G310 helixtrans-66.9-17.2179.4-60.8-68.4000113.6I130 S269 S273I130-F271 HydrophobicContact CD1-CZ 4.17Å; S269-F271 VanDerWaalsContact C-N 3.3Å; S269-F271 PolarHBondContact O-N 2.84Å; F271-S273 VanDerWaalsContact C-N 3.27Å; F271-S273 PolarHBondContact O-N 3.32Å
272S93.5Very high96.2Very high82 Ų8261.7 Ų61.757%0.57334%0.337SS*.G310 helixtrans-88.712.8174.9-52.10000112.9R137 S269 L270R137-S272 PolarHBondContact NH2-O 3.32Å; R137-S272 VanDerWaalsContact NH2-O 3.07Å; S269-S272 WeakPolarHBondContact CB-OG 3.44Å; S269-S272 PolarHBondContact O-N 3.11Å; S269-S272 PolarHBondContact OG-N 3.24Å; S269-S272 PolarHBondContact OG-OG 2.91Å; L270-S272 PolarHBondContact O-N 2.83Å
273S94.4Very high96.1Very high13 Ų1358 Ų589%0.09133%0.331CS..  trans-78.5135.8179.4-50.10000111.4R137 L270 F271 E277R137-S273 WeakPolarHBondContact CD-OG 3.27Å; R137-S273 PolarHBondContact NE-OG 3.01Å; R137-S273 PolarHBondContact NH1-OG 2.98Å; L270-S273 VanDerWaalsContact O-CB 3.31Å; L270-S273 WeakPolarHBondContact O-CB 3.38Å; L270-S273 PolarHBondContact O-N 2.84Å; L270-S273 VanDerWaalsContact O-N 3.07Å; L270-S273 PolarHBondContact O-OG 2.84Å; F271-S273 VanDerWaalsContact C-N 3.27Å; F271-S273 PolarHBondContact O-N 3.32Å; S273-E277 WeakPolarHBondContact CA-OE2 3.39Å
274T96Very high96Very high60 Ų6060.1 Ų60.137%0.36834%0.341SS..  trans-70.3160.8173.172.50000110.9E276 E277 K278T274-E276 PolarHBondContact O-N 3.48Å; T274-E276 PolarHBondContact OG1-N 3.29Å; T274-E276 PolarHBondContact OG1-OE2 3.03Å; T274-E277 PolarHBondContact N-OE2 2.72Å; T274-E277 PolarHBondContact O-N 3.3Å; T274-E277 WeakPolarHBondContact OG1-CG 3.2Å; T274-E277 PolarHBondContact OG1-N 2.85Å; T274-K278 WeakPolarHBondContact O-CG 3.32Å; T274-K278 PolarHBondContact O-N 2.96Å
275P93.9Very high96Very high73 Ų7357.4 Ų57.447%0.47432%0.322SS..Hα-helixtrans-54.6-36.5172-26.636.5000113.1K278 R279P275-K278 PolarHBondContact O-N 3.48Å; P275-R279 WeakPolarHBondContact O-CG 3.46Å; P275-R279 PolarHBondContact O-N 2.9Å
276E95.7Very high95.9Very high105 Ų10557.6 Ų57.649%0.49132%0.32SS..Hα-helixtrans-64.8-51.1178.3-65.460.3-128.900111.1T274 K278 R279 E280T274-E276 PolarHBondContact O-N 3.48Å; T274-E276 PolarHBondContact OG1-N 3.29Å; T274-E276 PolarHBondContact OG1-OE2 3.03Å; E276-K278 VanDerWaalsContact C-N 3.27Å; E276-K278 PolarHBondContact O-N 3.27Å; E276-R279 PolarHBondContact O-N 3.46Å; E276-R279 VanDerWaalsContact O-N 3.14Å; E276-R279 IonicContact OE1-CZ 3.67Å; E276-R279 IonicContact OE1-NH2 2.75Å; E276-R279 PolarHBondContact OE1-NH2 2.79Å; E276-E280 PolarHBondContact O-N 3.17Å
277E96.9Very high95.8Very high35 Ų3557.7 Ų57.716%0.16433%0.328CS..Hα-helixtrans-59.3-38.1177-72.8177.4133.400111.5R137 H141 S273 T274 C281R137-E277 IonicContact CZ-OE1 3.08Å; R137-E277 IonicContact CZ-OE2 3.94Å; R137-E277 IonicContact NH1-OE1 3.32Å; R137-E277 PolarHBondContact NH1-OE1 3.25Å; R137-E277 IonicContact NH1-OE2 3.98Å; R137-E277 PolarHBondContact NH1-OE2 2.79Å; R137-E277 IonicContact NH2-OE1 3.31Å; R137-E277 IonicContact NH2-OE2 2.83Å; R137-E277 PolarHBondContact NH2-OE2 3.32Å; H141-E277 PolarHBondContact CE1-O 2.84Å; S273-E277 WeakPolarHBondContact CA-OE2 3.39Å; T274-E277 PolarHBondContact N-OE2 2.72Å; T274-E277 PolarHBondContact O-N 3.3Å; T274-E277 WeakPolarHBondContact OG1-CG 3.2Å; T274-E277 PolarHBondContact OG1-N 2.85Å; E277-C281 VanDerWaalsContact O-CB 3.31Å; E277-C281 WeakPolarHBondContact O-CB 3.36Å; E277-C281 PolarHBondContact O-N 2.98Å
278K95.2Very high95.8Very high66 Ų6654.9 Ų54.929%0.28730%0.299SS..Hα-helixtrans-65.8-43.2175.9-71.3177.7-174.3-1790111.9T274 P275 E276 A282T274-K278 WeakPolarHBondContact O-CG 3.32Å; T274-K278 PolarHBondContact O-N 2.96Å; P275-K278 PolarHBondContact O-N 3.48Å; E276-K278 VanDerWaalsContact C-N 3.27Å; E276-K278 PolarHBondContact O-N 3.27Å; K278-A282 VanDerWaalsContact O-CB 3.29Å; K278-A282 WeakPolarHBondContact O-CB 3.27Å; K278-A282 PolarHBondContact O-N 2.79Å
279R94.8Very high95.8Very high155 Ų15554.5 Ų54.559%0.58530%0.296SS*.Hα-helixtrans-64.7-43.9177.4-75.3-171-61.3-114.6-4.3111.5P275 E276 A282 A283P275-R279 WeakPolarHBondContact O-CG 3.46Å; P275-R279 PolarHBondContact O-N 2.9Å; E276-R279 PolarHBondContact O-N 3.46Å; E276-R279 VanDerWaalsContact O-N 3.14Å; E276-R279 IonicContact OE1-CZ 3.67Å; E276-R279 IonicContact OE1-NH2 2.75Å; E276-R279 PolarHBondContact OE1-NH2 2.79Å; R279-A282 PolarHBondContact O-N 2.9Å; R279-A283 WeakPolarHBondContact O-CB 3.36Å; R279-A283 PolarHBondContact O-N 3.05Å
280E96.8Very high95.9Very high96 Ų9658.7 Ų58.745%0.44931%0.311SS..Hα-helixtrans-58.9-50.4176.5-170.4-16613900111.1Y136 H141 E276 A282 A283 L284Y136-E280 PolarHBondContact OH-OE1 2.94Å; H141-E280 IonicContact NE2-OE1 3.25Å; H141-E280 IonicContact NE2-OE2 2.9Å; E276-E280 PolarHBondContact O-N 3.17Å; E280-A282 PolarHBondContact O-N 3.33Å; E280-A283 PolarHBondContact O-N 2.89Å; E280-L284 PolarHBondContact O-N 2.84Å
281C97.8Very high96Very high3 Ų361.2 Ų61.22%0.0234%0.335CS..Hα-helixtrans-58.5-50.3176.5-178.30000111.7F133 Y136 E277 A283 L284 L285F133-C281 HydrophobicContact CD1-CB 3.99Å; F133-C281 WeakPolarHBondContact CD1-SG 3.49Å; F133-C281 HydrophobicContact CE1-CB 4.12Å; Y136-C281 WeakPolarHBondContact CB-SG 3.48Å; Y136-C281 HydrophobicContact CD1-CB 3.58Å; Y136-C281 HydrophobicContact CE1-CB 3.87Å; Y136-C281 HydrophobicContact CG-CB 4.01Å; E277-C281 VanDerWaalsContact O-CB 3.31Å; E277-C281 WeakPolarHBondContact O-CB 3.36Å; E277-C281 PolarHBondContact O-N 2.98Å; C281-A283 VanDerWaalsContact C-N 3.25Å; C281-A283 PolarHBondContact O-N 2.82Å; C281-L284 PolarHBondContact O-N 2.89Å; C281-L285 VanDerWaalsContact O-CG 3.32Å; C281-L285 WeakPolarHBondContact O-CG 3.42Å; C281-L285 PolarHBondContact O-N 2.92Å
282A97Very high96.3Very high22 Ų2257.4 Ų57.418%0.18232%0.324CS..Hα-helixtrans-57.8-38.2-179.700000112.3F133 K278 R279 E280 L285 F286F133-A282 HydrophobicContact CE1-CB 4.15Å; F133-A282 HydrophobicContact CZ-CB 4.01Å; K278-A282 VanDerWaalsContact O-CB 3.29Å; K278-A282 WeakPolarHBondContact O-CB 3.27Å; K278-A282 PolarHBondContact O-N 2.79Å; R279-A282 PolarHBondContact O-N 2.9Å; E280-A282 PolarHBondContact O-N 3.33Å; A282-L285 PolarHBondContact O-N 2.87Å; A282-F286 VanDerWaalsContact O-CB 3.32Å; A282-F286 WeakPolarHBondContact O-CB 3.25Å; A282-F286 PolarHBondContact O-N 3.37Å
283A96.8Very high96.5Very high64 Ų6457.1 Ų57.153%0.52931%0.311SS..Hα-helixtrans-63.2-47.4177.300000112.2R279 E280 C281 F286 A287R279-A283 WeakPolarHBondContact O-CB 3.36Å; R279-A283 PolarHBondContact O-N 3.05Å; E280-A283 PolarHBondContact O-N 2.89Å; C281-A283 VanDerWaalsContact C-N 3.25Å; C281-A283 PolarHBondContact O-N 2.82Å; A283-F286 PolarHBondContact O-N 2.99Å; A283-A287 PolarHBondContact O-N 2.98Å
284L97.6Very high96.6Very high57 Ų5756.5 Ų56.530%0.29831%0.306SS..Hα-helixtrans-64.1-44.8177.1-170.680.6000111.3Y136 L167 E280 C281 F286 A287 G288 W293Y136-L284 HydrophobicContact CD2-CB 4.41Å; Y136-L284 HydrophobicContact CD2-CD2 3.75Å; Y136-L284 HydrophobicContact CE2-CB 3.77Å; Y136-L284 HydrophobicContact CE2-CD2 3.4Å; Y136-L284 VanDerWaalsContact CE2-CD2 3.4Å; Y136-L284 HydrophobicContact CE2-CG 4.14Å; L167-L284 HydrophobicContact CD2-CD2 3.92Å; E280-L284 PolarHBondContact O-N 2.84Å; C281-L284 PolarHBondContact O-N 2.89Å; L284-F286 VanDerWaalsContact C-N 3.3Å; L284-F286 PolarHBondContact O-N 3.25Å; L284-A287 PolarHBondContact O-N 2.65Å; L284-G288 PolarHBondContact O-N 2.6Å; L284-W293 HydrophobicContact CD2-CH2 4.41Å; L284-W293 HydrophobicContact CG-CZ2 4.34Å
285L98Very high96.7Very high2 Ų260.1 Ų60.11%0.0131%0.314CS..Hα-helixtrans-63.3-39-179.1-61.4-176000111.2Y132 F133 L167 C281 A282 G288 M289 L294Y132-L285 HydrophobicContact CD1-CD2 4.24Å; F133-L285 HydrophobicContact CD2-CD1 3.5Å; F133-L285 VanDerWaalsContact CD2-CD1 3.5Å; F133-L285 HydrophobicContact CE2-CD1 3.46Å; F133-L285 VanDerWaalsContact CE2-CD1 3.46Å; F133-L285 HydrophobicContact CG-CD1 4.11Å; F133-L285 HydrophobicContact CZ-CD1 4.03Å; L167-L285 HydrophobicContact CD1-CD2 4.43Å; L167-L285 HydrophobicContact CD2-CD2 3.96Å; C281-L285 VanDerWaalsContact O-CG 3.32Å; C281-L285 WeakPolarHBondContact O-CG 3.42Å; C281-L285 PolarHBondContact O-N 2.92Å; A282-L285 PolarHBondContact O-N 2.87Å; L285-G288 PolarHBondContact O-N 3.07Å; L285-M289 WeakPolarHBondContact O-CG 3.45Å; L285-M289 PolarHBondContact O-N 3.46Å; L285-L294 HydrophobicContact CB-CD1 3.91Å; L285-L294 HydrophobicContact CD2-CD1 3.54Å; L285-L294 HydrophobicContact CG-CD1 4.24Å
286F96.8Very high96.8Very high83 Ų8357 Ų5736%0.36429%0.293SS..Hα-helixtrans-61.8-51174.8-173-96.3000112P117 A282 A283 L284 G288 M289 E290P117-F286 HydrophobicContact CG-CD2 4.47Å; P117-F286 HydrophobicContact CG-CE2 4.09Å; A282-F286 VanDerWaalsContact O-CB 3.32Å; A282-F286 WeakPolarHBondContact O-CB 3.25Å; A282-F286 PolarHBondContact O-N 3.37Å; A283-F286 PolarHBondContact O-N 2.99Å; L284-F286 VanDerWaalsContact C-N 3.3Å; L284-F286 PolarHBondContact O-N 3.25Å; F286-G288 PolarHBondContact O-N 3.15Å; F286-M289 HydrophobicContact CB-CE 4.32Å; F286-M289 HydrophobicContact CD2-CE 4.06Å; F286-M289 PolarHBondContact O-N 3.19Å; F286-M289 VanDerWaalsContact O-N 3.1Å; F286-E290 HydrophobicContact CD1-CG 4.31Å; F286-E290 HydrophobicContact CE1-CG 3.88Å; F286-E290 WeakPolarHBondContact CE1-OE1 3.37Å; F286-E290 WeakPolarHBondContact CE1-OE2 3.41Å; F286-E290 HydrophobicContact CZ-CG 4.1Å; F286-E290 WeakPolarHBondContact CZ-OE1 3.46Å; F286-E290 PolarHBondContact O-N 3.46Å
287A97.1Very high97Very high49 Ų4953.2 Ų53.241%0.40528%0.277SS..Hα-helixtrans-56.8-35.3174.700000111.8A283 L284 A291A283-A287 PolarHBondContact O-N 2.98Å; L284-A287 PolarHBondContact O-N 2.65Å; A287-A291 VanDerWaalsContact O-CB 3.23Å; A287-A291 WeakPolarHBondContact O-CB 3.34Å; A287-A291 PolarHBondContact O-N 3.03Å
288G97.9Very high97Very high0 Ų053.2 Ų53.20%028%0.279CS..Hα-helixtrans-70.9-35.217700000115.6L284 L285 F286 G292 W293 L294L284-G288 PolarHBondContact O-N 2.6Å; L285-G288 PolarHBondContact O-N 3.07Å; F286-G288 PolarHBondContact O-N 3.15Å; G288-G292 PolarHBondContact O-N 3.45Å; G288-W293 VanDerWaalsContact CA-NE1 3.25Å; G288-W293 PolarHBondContact O-N 2.98Å; G288-W293 VanDerWaalsContact O-N 3.17Å; G288-L294 VanDerWaalsContact C-CB 3.42Å; G288-L294 WeakPolarHBondContact O-CB 3.5Å; G288-L294 PolarHBondContact O-N 3.48Å
289M97.9Very high97.1Very high9 Ų950.9 Ų50.94%0.04427%0.274CS..Hα-helixtrans-67.2-44.2172.7-69.2-176.1-72.100110.7F93 P117 L120 I128 L285 F286 G292 L294F93-M289 HydrophobicContact CE1-CE 4.01Å; F93-M289 HydrophobicContact CE1-SD 4.37Å; F93-M289 HydrophobicContact CZ-CE 4.33Å; P117-M289 HydrophobicContact CG-CB 3.96Å; P117-M289 HydrophobicContact CG-CE 4.21Å; P117-M289 HydrophobicContact CG-SD 4.2Å; L120-M289 HydrophobicContact CD1-CB 4.22Å; L120-M289 HydrophobicContact CD1-CG 3.73Å; L120-M289 HydrophobicContact CD1-SD 3.59Å; L120-M289 VanDerWaalsContact CD1-SD 3.59Å; I128-M289 HydrophobicContact CD1-SD 3.56Å; I128-M289 VanDerWaalsContact CD1-SD 3.56Å; L285-M289 WeakPolarHBondContact O-CG 3.45Å; L285-M289 PolarHBondContact O-N 3.46Å; F286-M289 HydrophobicContact CB-CE 4.32Å; F286-M289 HydrophobicContact CD2-CE 4.06Å; F286-M289 PolarHBondContact O-N 3.19Å; F286-M289 VanDerWaalsContact O-N 3.1Å; M289-G292 PolarHBondContact O-N 3.05Å; M289-G292 VanDerWaalsContact O-N 3.16Å; M289-L294 HydrophobicContact CG-CB 4.12Å; M289-L294 HydrophobicContact CG-CD1 4.31Å; M289-L294 HydrophobicContact CG-CD2 3.59Å; M289-L294 HydrophobicContact CG-CG 4.19Å; M289-L294 HydrophobicContact SD-CD2 4.4Å
290E95.8Very high97.2Very high133 Ų13345.7 Ų45.762%0.62126%0.261SS*.Hα-helixtrans-65.2-44.1178-70-167.6145.100112.4F286 G292F286-E290 HydrophobicContact CD1-CG 4.31Å; F286-E290 HydrophobicContact CE1-CG 3.88Å; F286-E290 WeakPolarHBondContact CE1-OE1 3.37Å; F286-E290 WeakPolarHBondContact CE1-OE2 3.41Å; F286-E290 HydrophobicContact CZ-CG 4.1Å; F286-E290 WeakPolarHBondContact CZ-OE1 3.46Å; F286-E290 PolarHBondContact O-N 3.46Å; E290-G292 PolarHBondContact O-N 2.91Å
291A96.1Very high97.3Very high75 Ų7546.2 Ų46.262%0.6226%0.263SS*.THydrogen-bonded Turntrans-70.8-11.6175.100000113.1A287 W293A287-A291 VanDerWaalsContact O-CB 3.23Å; A287-A291 WeakPolarHBondContact O-CB 3.34Å; A287-A291 PolarHBondContact O-N 3.03Å; A291-W293 VanDerWaalsContact C-N 3.31Å; A291-W293 PolarHBondContact O-N 3.15Å
292G96.4Very high97.3Very high23 Ų2347.9 Ų47.924%0.23727%0.269CS..THydrogen-bonded Turntrans76.97.2174.800000115.7G288 M289 E290 R295G288-G292 PolarHBondContact O-N 3.45Å; M289-G292 PolarHBondContact O-N 3.05Å; M289-G292 VanDerWaalsContact O-N 3.16Å; E290-G292 PolarHBondContact O-N 2.91Å; G292-R295 WeakPolarHBondContact O-CG 3.38Å; G292-R295 PolarHBondContact O-NE 3.15Å
293W96.7Very high97.4Very high76 Ų7649.8 Ų49.829%0.28828%0.279SS..  trans-80.9-27.3172.766-107.3000112.2Q166 L167 A170 L284 G288 A291 R295Q166-W293 HydrophobicContact CB-CE3 4.48Å; L167-W293 HydrophobicContact CD2-CH2 3.64Å; L167-W293 HydrophobicContact CD2-CZ3 3.92Å; L167-W293 HydrophobicContact CG-CH2 4.47Å; L167-W293 HydrophobicContact CG-CZ3 4.27Å; A170-W293 HydrophobicContact CB-CD2 3.83Å; A170-W293 HydrophobicContact CB-CE3 3.89Å; A170-W293 HydrophobicContact CB-CG 4.5Å; A170-W293 HydrophobicContact CB-CH2 4.11Å; A170-W293 HydrophobicContact CB-CZ2 3.97Å; A170-W293 HydrophobicContact CB-CZ3 4.05Å; L284-W293 HydrophobicContact CD2-CH2 4.41Å; L284-W293 HydrophobicContact CG-CZ2 4.34Å; G288-W293 VanDerWaalsContact CA-NE1 3.25Å; G288-W293 PolarHBondContact O-N 2.98Å; G288-W293 VanDerWaalsContact O-N 3.17Å; A291-W293 VanDerWaalsContact C-N 3.31Å; A291-W293 PolarHBondContact O-N 3.15Å; W293-R295 PolarHBondContact O-N 3.08Å
294L98.1Very high97.5Very high0 Ų046.7 Ų46.70%025%0.254CS..  trans-83.9102.8170.6-164.7153.1000108.6I128 Y132 L285 G288 M289 P296I128-L294 HydrophobicContact CD1-CD2 4.49Å; I128-L294 HydrophobicContact CG1-CD2 4.43Å; Y132-L294 HydrophobicContact CD1-CD1 3.51Å; Y132-L294 HydrophobicContact CD1-CD2 4.16Å; Y132-L294 HydrophobicContact CD1-CG 3.75Å; Y132-L294 HydrophobicContact CE1-CD1 3.77Å; Y132-L294 HydrophobicContact CE1-CD2 3.84Å; Y132-L294 HydrophobicContact CE1-CG 3.43Å; Y132-L294 VanDerWaalsContact CE1-CG 3.43Å; Y132-L294 HydrophobicContact CE2-CD2 4.42Å; Y132-L294 HydrophobicContact CG-CD1 4.25Å; L285-L294 HydrophobicContact CB-CD1 3.91Å; L285-L294 HydrophobicContact CD2-CD1 3.54Å; L285-L294 HydrophobicContact CG-CD1 4.24Å; G288-L294 VanDerWaalsContact C-CB 3.42Å; G288-L294 WeakPolarHBondContact O-CB 3.5Å; G288-L294 PolarHBondContact O-N 3.48Å; M289-L294 HydrophobicContact CG-CB 4.12Å; M289-L294 HydrophobicContact CG-CD1 4.31Å; M289-L294 HydrophobicContact CG-CD2 3.59Å; M289-L294 HydrophobicContact CG-CG 4.19Å; M289-L294 HydrophobicContact SD-CD2 4.4Å; L294-P296 HydrophobicContact CD2-CG 3.96Å
295R96.6Very high97.5Very high137 Ų13747.9 Ų47.952%0.51726%0.258SS..  trans-133.697.3177.3-71.3-169.7-176-128.21.6110Q166 G292 W293Q166-R295 PolarHBondContact NE2-O 3.36Å; Q166-R295 VanDerWaalsContact OE1-N 3.1Å; G292-R295 WeakPolarHBondContact O-CG 3.38Å; G292-R295 PolarHBondContact O-NE 3.15Å; W293-R295 PolarHBondContact O-N 3.08Å
296P97.9Very high97.5Very high6 Ų653.5 Ų53.54%0.03928%0.283CS..  trans-57.5140.9179.8-22.734.6000111.2Q124 A127 I128 Y132 L294Q124-P296 HydrophobicContact CB-CB 4.2Å; Q124-P296 HydrophobicContact CB-CG 4.25Å; Q124-P296 PolarHBondContact NE2-O 3.01Å; Q124-P296 WeakPolarHBondContact O-CB 3.45Å; Q124-P296 WeakPolarHBondContact O-CG 3.38Å; A127-P296 HydrophobicContact CB-CB 3.68Å; I128-P296 HydrophobicContact CD1-CG 4.19Å; I128-P296 HydrophobicContact CG1-CG 3.56Å; Y132-P296 HydrophobicContact CE2-CB 4.06Å; Y132-P296 HydrophobicContact CE2-CG 3.92Å; Y132-P296 VanDerWaalsContact OH-CA 3.27Å; Y132-P296 WeakPolarHBondContact OH-CA 3.44Å; L294-P296 HydrophobicContact CD2-CG 3.96Å
297V98Very high97.6Very high26 Ų2649.6 Ų49.616%0.15827%0.265CS..  trans-101.5113.7175.2179.80000107.9V162 L187 K191 G322 K323V162-V297 HydrophobicContact CG1-CB 4.1Å; V162-V297 HydrophobicContact CG1-CG2 3.73Å; L187-V297 HydrophobicContact CD1-CG1 3.95Å; L187-V297 HydrophobicContact CD1-CG2 4.15Å; L187-V297 HydrophobicContact CD2-CG1 4.31Å; K191-V297 HydrophobicContact CD-CG2 3.55Å; K191-V297 HydrophobicContact CG-CG2 4.07Å; V297-G322 WeakPolarHBondContact O-CA 3.47Å; V297-K323 PolarHBondContact O-N 2.96Å
298V98Very high97.7Very high35 Ų3548.7 Ų48.721%0.21226%0.258CS..EExtended strand (participates in β ladder)trans-87.4121.6173.6-176.90000107.6T123 Q124 Q301 V325T123-V298 WeakPolarHBondContact O-CG2 3.24Å; Q124-V298 HydrophobicContact CG-CG2 4.04Å; V298-Q301 HydrophobicContact CG1-CG 3.69Å; V298-V325 HydrophobicContact CG1-CB 4.36Å; V298-V325 HydrophobicContact CG1-CG2 3.99Å
299G96.6Very high97.7Very high17 Ų1752.7 Ų52.718%0.17528%0.277CS..EExtended strand (participates in β ladder)trans-91.6-130.7174.400000110.2Q301 S321 K323G299-Q301 PolarHBondContact O-N 2.96Å; G299-S321 VanDerWaalsContact CA-O 3.31Å; G299-S321 WeakPolarHBondContact CA-O 3.23Å; G299-K323 PolarHBondContact N-O 2.81Å
300P97.2Very high97.8Very high47 Ų4752.2 Ų52.231%0.30527%0.274SS..EExtended strand (participates in β ladder)trans-57.1136.7175.9-27.136.3000113.4Y302 I324 V325P300-Y302 HydrophobicContact CB-CD2 4.42Å; P300-Y302 HydrophobicContact CB-CE2 3.54Å; P300-I324 HydrophobicContact CB-CG1 4.27Å; P300-I324 HydrophobicContact CG-CG1 4.3Å; P300-I324 WeakPolarHBondContact O-CA 3.33Å; P300-V325 PolarHBondContact O-N 3.39Å; P300-V325 VanDerWaalsContact O-N 3.13Å
301Q98.3Very high97.9Very high107 Ų10746 Ų4650%0.525%0.245SC..EExtended strand (participates in β ladder)trans-116.2132.7175.2-64.4-179.35600109.2V298 G299 V325V298-Q301 HydrophobicContact CG1-CG 3.69Å; G299-Q301 PolarHBondContact O-N 2.96Å; Q301-V325 WeakPolarHBondContact CA-O 3.48Å
302Y98.7Very high98Very high38 Ų3846.7 Ų46.715%0.14924%0.235CC..EExtended strand (participates in β ladder)trans-123.5137.3179.6-62-96.5000109P300 K306 Q309 A310 D313 I324 V325 L326 T327P300-Y302 HydrophobicContact CB-CD2 4.42Å; P300-Y302 HydrophobicContact CB-CE2 3.54Å; Y302-K306 HydrophobicContact CD1-CB 4.16Å; Y302-Q309 HydrophobicContact CD1-CB 4.36Å; Y302-Q309 HydrophobicContact CD1-CG 4.28Å; Y302-Q309 HydrophobicContact CE1-CB 4.32Å; Y302-Q309 HydrophobicContact CE1-CG 3.79Å; Y302-A310 HydrophobicContact CD1-CB 4.45Å; Y302-A310 HydrophobicContact CD2-CB 3.66Å; Y302-A310 HydrophobicContact CE2-CB 4.1Å; Y302-A310 HydrophobicContact CG-CB 3.87Å; Y302-D313 WeakPolarHBondContact CE1-OD2 3.41Å; Y302-D313 VanDerWaalsContact CZ-OD2 3.24Å; Y302-D313 WeakPolarHBondContact OH-CB 3.34Å; Y302-D313 PolarHBondContact OH-OD2 3.47Å; Y302-I324 HydrophobicContact CD2-CG2 3.68Å; Y302-I324 HydrophobicContact CE2-CG2 3.62Å; Y302-V325 PolarHBondContact N-O 3.03Å; Y302-L326 CarbonylContact O-C 3.41Å; Y302-L326 WeakPolarHBondContact O-CA 3.31Å; Y302-T327 PolarHBondContact O-N 2.95Å; Y302-T327 PolarHBondContact O-OG1 3.26Å
303P98.6Very high98Very high61 Ų6147.2 Ų47.240%0.39623%0.233SC..EExtended strand (participates in β ladder)trans-64.9154.1168.433.4-37.5000109.5E305 K306 T327P303-E305 WeakPolarHBondContact CB-OE2 3.26Å; P303-E305 PolarHBondContact O-N 3.08Å; P303-K306 HydrophobicContact CG-CB 4.26Å; P303-K306 HydrophobicContact CG-CG 3.83Å; P303-K306 WeakPolarHBondContact O-CA 3.25Å; P303-K306 WeakPolarHBondContact O-CB 3.3Å; P303-K306 PolarHBondContact O-N 3.45Å; P303-T327 CarbonylContact C-O 3.53Å
304L98.7Very high97.9Very high0 Ų045.2 Ų45.20%023%0.228CC..G310 helixtrans-48.8-38.7-172.9-178.462.6000113.3R8 I10 L23 K306 A307 L326 T327 M328R8-L304 HydrophobicContact CB-CD2 4.43Å; I10-L304 HydrophobicContact CD1-CD1 4.45Å; I10-L304 HydrophobicContact CD1-CG 4.38Å; I10-L304 WeakPolarHBondContact CD1-O 3.33Å; I10-L304 HydrophobicContact CG1-CD1 3.72Å; I10-L304 HydrophobicContact CG1-CG 4.14Å; L23-L304 HydrophobicContact CD1-CD2 4.06Å; L23-L304 HydrophobicContact CD1-CG 4.15Å; L304-K306 PolarHBondContact O-N 3.3Å; L304-K306 VanDerWaalsContact O-N 3.15Å; L304-A307 WeakPolarHBondContact O-CB 3.38Å; L304-A307 PolarHBondContact O-N 3.13Å; L304-L326 HydrophobicContact CD1-CD1 4.35Å; L304-T327 PolarHBondContact N-O 2.94Å; L304-M328 HydrophobicContact CD1-CE 3.94Å; L304-M328 HydrophobicContact CD1-SD 4.12Å; L304-M328 HydrophobicContact CD2-SD 4.04Å; L304-M328 HydrophobicContact CG-SD 4.45Å
305E98.4Very high97.7Very high81 Ų8147.5 Ų47.538%0.37924%0.239SC..G310 helixtrans-66.9-16-178.2-49.780.3-170.100113.1R8 L23 P303R8-E305 IonicContact CZ-OE1 3.6Å; R8-E305 IonicContact NH1-OE1 3.24Å; R8-E305 PolarHBondContact NH1-OE1 3.38Å; L23-E305 HydrophobicContact CD1-CG 4.25Å; L23-E305 HydrophobicContact CD2-CB 4.22Å; L23-E305 HydrophobicContact CD2-CG 3.41Å; L23-E305 VanDerWaalsContact CD2-CG 3.41Å; L23-E305 HydrophobicContact CG-CG 4.37Å; P303-E305 WeakPolarHBondContact CB-OE2 3.26Å; P303-E305 PolarHBondContact O-N 3.08Å
306K98.7Very high97.5Very high121 Ų12147 Ų4753%0.52624%0.242SC..G310 helixtrans-9717.2176-64.4-67.4-174.1177.70112.6Y302 P303 L304 A308 Q309 A310Y302-K306 HydrophobicContact CD1-CB 4.16Å; P303-K306 HydrophobicContact CG-CB 4.26Å; P303-K306 HydrophobicContact CG-CG 3.83Å; P303-K306 WeakPolarHBondContact O-CA 3.25Å; P303-K306 WeakPolarHBondContact O-CB 3.3Å; P303-K306 PolarHBondContact O-N 3.45Å; L304-K306 PolarHBondContact O-N 3.3Å; L304-K306 VanDerWaalsContact O-N 3.15Å; K306-A308 PolarHBondContact O-N 3.2Å; K306-A308 VanDerWaalsContact O-N 3.15Å; K306-Q309 HydrophobicContact CB-CB 4.38Å; K306-Q309 WeakPolarHBondContact O-CA 3.4Å; K306-Q309 WeakPolarHBondContact O-CB 3.34Å; K306-Q309 PolarHBondContact O-N 3.02Å; K306-A310 PolarHBondContact O-N 3.21Å
307A98.7Very high97.1Very high0 Ų049.4 Ų49.40%026%0.26CS..Hα-helixtrans-52.2-36.9176.200000113.9I10 Y102 L304 A310 H311 L326I10-A307 HydrophobicContact CD1-CB 3.92Å; I10-A307 HydrophobicContact CG1-CB 3.79Å; Y102-A307 HydrophobicContact CD2-CB 4.37Å; L304-A307 WeakPolarHBondContact O-CB 3.38Å; L304-A307 PolarHBondContact O-N 3.13Å; A307-A310 PolarHBondContact O-N 2.9Å; A307-H311 WeakPolarHBondContact O-CB 3.36Å; A307-H311 PolarHBondContact O-CD2 2.99Å; A307-H311 PolarHBondContact O-N 3.12Å; A307-L326 HydrophobicContact CB-CD1 4.02Å; A307-L326 HydrophobicContact CB-CD2 4.23Å
308A98.6Very high96.5Very high30 Ų3052.4 Ų52.425%0.24828%0.28CS..Hα-helixtrans-61.9-41.9174.400000112.6P18 L21 K306 H311 H312P18-A308 HydrophobicContact CB-CB 4.24Å; P18-A308 WeakPolarHBondContact CB-O 3.4Å; P18-A308 WeakPolarHBondContact O-CB 3.23Å; L21-A308 HydrophobicContact CB-CB 4.4Å; L21-A308 HydrophobicContact CD1-CB 4.46Å; K306-A308 PolarHBondContact O-N 3.2Å; K306-A308 VanDerWaalsContact O-N 3.15Å; A308-H311 PolarHBondContact O-N 2.82Å; A308-H312 PolarHBondContact O-N 3.48Å; A308-H312 VanDerWaalsContact O-N 3.08Å
309Q98.5Very high95.9Very high84 Ų8451.7 Ų51.739%0.39328%0.28SS..Hα-helixtrans-66.6-45.3176-171.565.549.500110.9Y302 K306 H311 H312 D313Y302-Q309 HydrophobicContact CD1-CB 4.36Å; Y302-Q309 HydrophobicContact CD1-CG 4.28Å; Y302-Q309 HydrophobicContact CE1-CB 4.32Å; Y302-Q309 HydrophobicContact CE1-CG 3.79Å; K306-Q309 HydrophobicContact CB-CB 4.38Å; K306-Q309 WeakPolarHBondContact O-CA 3.4Å; K306-Q309 WeakPolarHBondContact O-CB 3.34Å; K306-Q309 PolarHBondContact O-N 3.02Å; Q309-H311 VanDerWaalsContact C-N 3.26Å; Q309-H311 PolarHBondContact O-N 2.9Å; Q309-H312 WeakPolarHBondContact O-CA 3.33Å; Q309-H312 WeakPolarHBondContact O-CB 3.35Å; Q309-H312 PolarHBondContact O-N 2.77Å; Q309-D313 WeakPolarHBondContact CG-OD2 3.41Å; Q309-D313 PolarHBondContact NE2-OD1 3.1Å; Q309-D313 PolarHBondContact NE2-OD2 3.31Å; Q309-D313 PolarHBondContact O-N 3.34Å
310A98.4Very high95.7Very high0 Ų052.9 Ų52.90%029%0.288CS..Hα-helixtrans-58.5-39.4177.400000112.2V46 Y302 K306 A307 I314 I324 L326V46-A310 HydrophobicContact CG2-CB 4.15Å; Y302-A310 HydrophobicContact CD1-CB 4.45Å; Y302-A310 HydrophobicContact CD2-CB 3.66Å; Y302-A310 HydrophobicContact CE2-CB 4.1Å; Y302-A310 HydrophobicContact CG-CB 3.87Å; K306-A310 PolarHBondContact O-N 3.21Å; A307-A310 PolarHBondContact O-N 2.9Å; A310-I314 WeakPolarHBondContact O-CB 3.49Å; A310-I314 PolarHBondContact O-N 3.42Å; A310-I324 HydrophobicContact CB-CG2 4.04Å; A310-L326 HydrophobicContact CB-CD2 3.92Å
311H98.5Very high95.5Very high1 Ų153.4 Ų53.41%0.00529%0.292CS..Hα-helixtrans-69.3-28.6174.4-92.4-127.7000114.2P18 L21 T51 R54 Y102 A307 A308 Q309 I314P18-H311 HydrophobicContact CB-CB 4.4Å; L21-H311 HydrophobicContact CD1-CB 3.88Å; T51-H311 HydrophobicContact CG2-CB 4.36Å; R54-H311 PolarHBondContact NH1-ND1 2.94Å; Y102-H311 AromaticContact CE2-CD2 3.99Å; Y102-H311 AromaticContact CE2-NE2 3.27Å; Y102-H311 VanDerWaalsContact CE2-NE2 3.27Å; Y102-H311 WeakPolarHBondContact CE2-NE2 3.49Å; Y102-H311 AromaticContact CZ-NE2 3.54Å; Y102-H311 PolarHBondContact OH-NE2 3.46Å; A307-H311 WeakPolarHBondContact O-CB 3.36Å; A307-H311 PolarHBondContact O-CD2 2.99Å; A307-H311 PolarHBondContact O-N 3.12Å; A308-H311 PolarHBondContact O-N 2.82Å; Q309-H311 VanDerWaalsContact C-N 3.26Å; Q309-H311 PolarHBondContact O-N 2.9Å; H311-I314 WeakPolarHBondContact O-CG2 3.2Å
312H97.6Very high95.4Very high90 Ų9048.5 Ų48.542%0.41727%0.271SS..Hα-helixtrans-72.9-52.1172.4177.475.3000109.8P18 A308 Q309 I314 I315 E316P18-H312 HydrophobicContact CG-CB 4.47Å; A308-H312 PolarHBondContact O-N 3.48Å; A308-H312 VanDerWaalsContact O-N 3.08Å; Q309-H312 WeakPolarHBondContact O-CA 3.33Å; Q309-H312 WeakPolarHBondContact O-CB 3.35Å; Q309-H312 PolarHBondContact O-N 2.77Å; H312-I314 VanDerWaalsContact C-N 3.33Å; H312-I314 PolarHBondContact O-N 2.78Å; H312-I315 PolarHBondContact O-N 3.15Å; H312-E316 PolarHBondContact O-N 3.04Å
313D97.1Very high95.3Very high35 Ų3547.1 Ų47.119%0.18727%0.266CS..Hα-helixtrans-65.3-32.7-174-65.2-10.7000112.6Y302 Q309 I315 S317Y302-D313 WeakPolarHBondContact CE1-OD2 3.41Å; Y302-D313 VanDerWaalsContact CZ-OD2 3.24Å; Y302-D313 WeakPolarHBondContact OH-CB 3.34Å; Y302-D313 PolarHBondContact OH-OD2 3.47Å; Q309-D313 WeakPolarHBondContact CG-OD2 3.41Å; Q309-D313 PolarHBondContact NE2-OD1 3.1Å; Q309-D313 PolarHBondContact NE2-OD2 3.31Å; Q309-D313 PolarHBondContact O-N 3.34Å; D313-I315 PolarHBondContact O-N 3.32Å; D313-S317 WeakPolarHBondContact O-CA 3.47Å; D313-S317 WeakPolarHBondContact O-CB 3.28Å; D313-S317 PolarHBondContact O-N 3.48Å
314I95.8Very high95.3Very high34 Ų3445 Ų4517%0.17425%0.251CS..Hα-helixtrans-65.2-21.4176.7-159.7167.7000113.5V46 P48 T51 A310 H311 H312 I324V46-I314 HydrophobicContact CB-CD1 4.22Å; V46-I314 HydrophobicContact CG1-CD1 3.73Å; V46-I314 HydrophobicContact CG1-CG2 4.37Å; V46-I314 WeakPolarHBondContact O-CD1 3.43Å; P48-I314 HydrophobicContact CG-CD1 4.04Å; P48-I314 HydrophobicContact CG-CG1 4.29Å; T51-I314 HydrophobicContact CG2-CG2 3.62Å; A310-I314 WeakPolarHBondContact O-CB 3.49Å; A310-I314 PolarHBondContact O-N 3.42Å; H311-I314 WeakPolarHBondContact O-CG2 3.2Å; H312-I314 VanDerWaalsContact C-N 3.33Å; H312-I314 PolarHBondContact O-N 2.78Å; I314-I324 HydrophobicContact CB-CD1 3.83Å; I314-I324 HydrophobicContact CG1-CD1 4.13Å
315I93.3Very high95.3Very high47 Ų4745 Ų4524%0.24125%0.251CS..Hα-helixtrans-99.4-42.9179.3-59.1-56.3000111.2T51 Y52 H312 D313T51-I315 HydrophobicContact CG2-CD1 4.13Å; T51-I315 HydrophobicContact CG2-CG1 4.03Å; Y52-I315 HydrophobicContact CE1-CD1 4.18Å; H312-I315 PolarHBondContact O-N 3.15Å; D313-I315 PolarHBondContact O-N 3.32Å
316E92.9Very high95.4Very high126 Ų12641.1 Ų41.159%0.58923%0.233SC*.Hα-helixtrans-97-9.7-169.6-57.3-55.8148.100114H312H312-E316 PolarHBondContact O-N 3.04Å
317S89.1Confident95.4Very high57 Ų5737.3 Ų37.340%0.39922%0.22SC..  trans-57.4137.2-177.3172.10000111.8D313 G319D313-S317 WeakPolarHBondContact O-CA 3.47Å; D313-S317 WeakPolarHBondContact O-CB 3.28Å; D313-S317 PolarHBondContact O-N 3.48Å; S317-G319 PolarHBondContact O-N 2.78Å; S317-G319 VanDerWaalsContact O-N 3.14Å; S317-G319 PolarHBondContact OG-N 2.86Å; S317-G319 VanDerWaalsContact OG-N 3.12Å; S317-G319 PolarHBondContact OG-O 3.48Å
318P84.3Confident95.3Very high89 Ų8940.2 Ų40.258%0.57823%0.234SC*.SBendtrans-68.4-9.117530.6-36.6000112.5T181 R200T181-P318 WeakPolarHBondContact CG2-O 3.34Å; R200-P318 PolarHBondContact NH1-O 2.91Å; R200-P318 PolarHBondContact NH2-O 3.44Å
319G86.3Confident95.1Very high21 Ų2140.7 Ų40.722%0.21623%0.233CC..  trans-175.4132175.900000112.1S317S317-G319 PolarHBondContact O-N 2.78Å; S317-G319 VanDerWaalsContact O-N 3.14Å; S317-G319 PolarHBondContact OG-N 2.86Å; S317-G319 VanDerWaalsContact OG-N 3.12Å; S317-G319 PolarHBondContact OG-O 3.48Å
320A91.6Very high94.9Very high41 Ų4138.4 Ų38.434%0.33923%0.225SC..  trans-76.7145.1173.100000111S157S157-A320 WeakPolarHBondContact CB-O 3.4Å; S157-A320 CarbonylContact O-C 3.58Å; S157-A320 PolarHBondContact OG-O 2.78Å
321S93.6Very high94.7Very high58 Ų5840.6 Ų40.641%0.40624%0.237SC..  trans-131.641.8177.8540000111.2L187 G299L187-S321 VanDerWaalsContact CD2-C 3.49Å; G299-S321 VanDerWaalsContact CA-O 3.31Å; G299-S321 WeakPolarHBondContact CA-O 3.23Å
322G95.9Very high94.5Very high5 Ų542.9 Ų42.95%0.05225%0.251CS..BIsolated β-bridgetrans109.5-158.7-173.800000113S157 V297S157-G322 PolarHBondContact O-N 2.88Å; V297-G322 WeakPolarHBondContact O-CA 3.47Å
323K97.9Very high94.3Very high9 Ų939.9 Ų39.94%0.03924%0.241CC..EExtended strand (participates in β ladder)trans-84.3133.1-179-179.774165.7-178.70110.9G45 V46 N47 D71 A127 P131 V297 G299 V325G45-K323 VanDerWaalsContact CA-CE 3.42Å; V46-K323 WeakPolarHBondContact O-CE 3.13Å; V46-K323 PolarHBondContact O-NZ 3.08Å; N47-K323 PolarHBondContact ND2-NZ 3.1Å; N47-K323 PolarHBondContact OD1-NZ 3.44Å; D71-K323 IonicContact OD2-NZ 3.31Å; D71-K323 PolarHBondContact OD2-NZ 3.23Å; D71-K323 VanDerWaalsContact OD2-NZ 3.08Å; A127-K323 HydrophobicContact CB-CB 3.63Å; A127-K323 HydrophobicContact CB-CG 3.62Å; P131-K323 HydrophobicContact CG-CD 4.01Å; V297-K323 PolarHBondContact O-N 2.96Å; G299-K323 PolarHBondContact N-O 2.81Å; K323-V325 HydrophobicContact CG-CG2 3.97Å
324I98.6Very high94.1Very high16 Ų1640.3 Ų40.38%0.08224%0.244CC..EExtended strand (participates in β ladder)trans-78.6133.1166.6-64.8179.2000109.2V46 P300 Y302 A310 I314V46-I324 HydrophobicContact CB-CB 4.19Å; V46-I324 HydrophobicContact CB-CG2 3.99Å; V46-I324 HydrophobicContact CG2-CG2 3.86Å; V46-I324 PolarHBondContact N-O 2.77Å; P300-I324 HydrophobicContact CB-CG1 4.27Å; P300-I324 HydrophobicContact CG-CG1 4.3Å; P300-I324 WeakPolarHBondContact O-CA 3.33Å; Y302-I324 HydrophobicContact CD2-CG2 3.68Å; Y302-I324 HydrophobicContact CE2-CG2 3.62Å; A310-I324 HydrophobicContact CB-CG2 4.04Å; I314-I324 HydrophobicContact CB-CD1 3.83Å; I314-I324 HydrophobicContact CG1-CD1 4.13Å
325V98.7Very high94Very high0 Ų040.7 Ų40.70%025%0.249CC..EExtended strand (participates in β ladder)trans-129.2139.8-176.3176.20000110.6A43 T123 A126 V298 P300 Q301 Y302 K323A43-V325 HydrophobicContact CB-CG1 3.68Å; T123-V325 HydrophobicContact CG2-CG1 4.42Å; A126-V325 HydrophobicContact CB-CG1 4.25Å; V298-V325 HydrophobicContact CG1-CB 4.36Å; V298-V325 HydrophobicContact CG1-CG2 3.99Å; P300-V325 PolarHBondContact O-N 3.39Å; P300-V325 VanDerWaalsContact O-N 3.13Å; Q301-V325 WeakPolarHBondContact CA-O 3.48Å; Y302-V325 PolarHBondContact N-O 3.03Å; K323-V325 HydrophobicContact CG-CG2 3.97Å
326L98.9Very high94.1Very high0 Ų040.2 Ų40.20%025%0.25CC..EExtended strand (participates in β ladder)trans-90.6131.1165.6-61.9174.7000110.2A43 C44 V46 Y102 Y302 L304 A307 A310 M328A43-L326 CarbonylContact C-O 3.59Å; A43-L326 WeakPolarHBondContact CA-O 3.44Å; C44-L326 PolarHBondContact N-O 3.15Å; C44-L326 PolarHBondContact O-N 3.03Å; V46-L326 HydrophobicContact CG2-CD1 4.22Å; V46-L326 HydrophobicContact CG2-CD2 4.31Å; V46-L326 HydrophobicContact CG2-CG 3.76Å; Y102-L326 HydrophobicContact CD1-CD1 3.52Å; Y102-L326 HydrophobicContact CD2-CD1 3.75Å; Y102-L326 HydrophobicContact CE1-CD1 3.52Å; Y102-L326 HydrophobicContact CE2-CD1 3.74Å; Y102-L326 HydrophobicContact CG-CD1 3.64Å; Y302-L326 CarbonylContact O-C 3.41Å; Y302-L326 WeakPolarHBondContact O-CA 3.31Å; L304-L326 HydrophobicContact CD1-CD1 4.35Å; A307-L326 HydrophobicContact CB-CD1 4.02Å; A307-L326 HydrophobicContact CB-CD2 4.23Å; A310-L326 HydrophobicContact CB-CD2 3.92Å; L326-M328 HydrophobicContact CB-CE 3.99Å
327T98.6Very high94.2Very high41 Ų4133.1 Ų33.125%0.25222%0.221SC..EExtended strand (participates in β ladder)trans-101.8140.7171.954.90000110.2T123 Y302 P303 L304T123-T327 HydrophobicContact CG2-CG2 4.35Å; Y302-T327 PolarHBondContact O-N 2.95Å; Y302-T327 PolarHBondContact O-OG1 3.26Å; P303-T327 CarbonylContact C-O 3.53Å; L304-T327 PolarHBondContact N-O 2.94Å
328M96.8Very high94.6Very high60 Ų6030.9 Ų30.930%0.29621%0.205SC..  trans-84.80-177.9-57.4-57.411300112.5R8 V41 R42 C44 L304 L326R8-M328 PolarHBondContact NH2-OXT 3.39Å; V41-M328 HydrophobicContact CB-CG 3.94Å; V41-M328 HydrophobicContact CB-SD 4.38Å; V41-M328 HydrophobicContact CG1-CE 4.16Å; V41-M328 HydrophobicContact CG1-CG 3.69Å; V41-M328 HydrophobicContact CG1-SD 4Å; V41-M328 WeakPolarHBondContact O-CG 3.47Å; R42-M328 PolarHBondContact O-N 2.87Å; C44-M328 HydrophobicContact CB-CE 4.18Å; L304-M328 HydrophobicContact CD1-CE 3.94Å; L304-M328 HydrophobicContact CD1-SD 4.12Å; L304-M328 HydrophobicContact CD2-SD 4.04Å; L304-M328 HydrophobicContact CG-SD 4.45Å; L326-M328 HydrophobicContact CB-CE 3.99Å

Retrieved 328 of 328 residues in 295.7 ms (Link to these results)

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