A0A3Q0KSN1_SCHMA Loading...

HORMA domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSN1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 528 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
1M38.8Very low32.2Very low247 Ų247144.1 Ų144.1100%1.21784%0.839SS**  01030-75.7-159.9-107.100107.4
2A30.1Very low33.8Very low109 Ų109135.8 Ų135.890%0.90181%0.807SS**  trans-96.6110.5-177.600000109.1
3T29.1Very low37Very low134 Ų134128.3 Ų128.382%0.82276%0.761SS**  trans-81.7115.21759.80000109.1V5T3-V5 PolarHBondContact O-N 2.73Å
4A29.4Very low40.4Very low106 Ų106119.6 Ų119.688%0.87671%0.708SS**PPolyproline II helixtrans-71.5124.1172.100000110
5V29.4Very low43.3Very low130 Ų130116.3 Ų116.379%0.78869%0.694SS**PPolyproline II helixtrans-98.5126.8171.3-179.30000108.1T3 V7T3-V5 PolarHBondContact O-N 2.73Å; V5-V7 PolarHBondContact O-N 2.91Å
6A29.4Very low45.8Very low90 Ų90118.3 Ų118.374%0.74469%0.691SS**PPolyproline II helixtrans-64.4124.2179.700000111.4K8A6-K8 PolarHBondContact O-N 2.89Å; A6-K8 VanDerWaalsContact O-N 3.11Å
7V30.4Very low48.2Very low136 Ų136112.7 Ų112.782%0.82466%0.657SS**  trans-67105.4169.9-179.80000108V5 Q9V5-V7 PolarHBondContact O-N 2.91Å; V7-Q9 PolarHBondContact O-N 2.88Å
8K30.3Very low50.5Low195 Ų195106.5 Ų106.585%0.84862%0.62SS**  trans-62.9115.7165-82.2-178.7175.7177.80107.8A6 N10A6-K8 PolarHBondContact O-N 2.89Å; A6-K8 VanDerWaalsContact O-N 3.11Å; K8-N10 PolarHBondContact O-N 3.01Å
9Q32.1Very low52.5Low160 Ų160102.1 Ų102.175%0.74860%0.596SS**  trans-55.3121.5168.7-71.2179.6-19.900108.6V7 I11V7-Q9 PolarHBondContact O-N 2.88Å; Q9-I11 HydrophobicContact CB-CD1 4.2Å; Q9-I11 HydrophobicContact CB-CG1 4.08Å; Q9-I11 PolarHBondContact O-N 2.98Å
10N34.7Very low54Low141 Ų141100.6 Ų100.675%0.75459%0.585SS**  trans-76.273.3-177.2-143.61.5000109.2K8 G12K8-N10 PolarHBondContact O-N 3.01Å; N10-G12 PolarHBondContact O-N 3.03Å
11I40.5Very low55.4Low137 Ų137100.3 Ų100.370%0.70358%0.578SS**  trans-73.631.1-179.3-60.8161.9000111.1Q9Q9-I11 HydrophobicContact CB-CD1 4.2Å; Q9-I11 HydrophobicContact CB-CG1 4.08Å; Q9-I11 PolarHBondContact O-N 2.98Å
12G51.2Low57.5Low45 Ų4588.6 Ų88.646%0.46452%0.52SS..  trans-96.2-17.1-150.200000118.7N10N10-G12 PolarHBondContact O-N 3.03Å
13N75.4Confident59.9Low38 Ų3885.3 Ų85.320%0.20350%0.498CS..SBendtrans-142.5-10.7-172.4-135.24.7000117.3S15 K16 Q59N13-S15 VanDerWaalsContact C-N 3.34Å; N13-S15 PolarHBondContact O-N 3.17Å; N13-K16 PolarHBondContact O-N 3.07Å; N13-K16 WeakPolarHBondContact OD1-CD 3.29Å; N13-K16 WeakPolarHBondContact OD1-CE 3.37Å; N13-K16 WeakPolarHBondContact OD1-CG 3.29Å; N13-K16 PolarHBondContact OD1-NZ 3.37Å; N13-Q59 WeakPolarHBondContact ND2-CB 3.24Å; N13-Q59 PolarHBondContact ND2-O 3.27Å
14W85.3Confident62.6Low7 Ų782.3 Ų82.33%0.02748%0.479CS..Hα-helixtrans-52.3-50.5178.2-177.5-87.1000112.8K16 M17 F18 P19 N20 F31 L60 E61 R162 T165W14-K16 PolarHBondContact O-N 2.99Å; W14-K16 VanDerWaalsContact O-N 3.11Å; W14-M17 PolarHBondContact O-N 3.18Å; W14-F18 HydrophobicContact CD2-CB 4.13Å; W14-F18 HydrophobicContact CD2-CD2 4.29Å; W14-F18 VanDerWaalsContact CE2-CB 3.42Å; W14-F18 HydrophobicContact CE3-CD2 4.21Å; W14-F18 HydrophobicContact CH2-CB 4.33Å; W14-F18 AromaticContact CH2-CD2 3.7Å; W14-F18 HydrophobicContact CH2-CD2 3.7Å; W14-F18 HydrophobicContact CH2-CE2 4.35Å; W14-F18 HydrophobicContact CH2-CG 4.2Å; W14-F18 HydrophobicContact CZ2-CB 3.54Å; W14-F18 AromaticContact CZ2-CD2 3.81Å; W14-F18 HydrophobicContact CZ2-CD2 3.81Å; W14-F18 AromaticContact CZ2-CG 3.87Å; W14-F18 HydrophobicContact CZ2-CG 3.87Å; W14-F18 AromaticContact CZ3-CD2 3.93Å; W14-F18 HydrophobicContact CZ3-CD2 3.93Å; W14-F18 HydrophobicContact CZ3-CE2 4.5Å; W14-F18 PolarHBondContact O-N 3.08Å; W14-P19 PolarHBondContact NE1-O 2.62Å; W14-P19 VanDerWaalsContact NE1-O 3.08Å; W14-N20 VanDerWaalsContact CD1-OD1 3.29Å; W14-F31 HydrophobicContact CH2-CE2 4Å; W14-F31 HydrophobicContact CZ2-CD2 4.35Å; W14-F31 AromaticContact CZ2-CE2 3.66Å; W14-F31 HydrophobicContact CZ2-CE2 3.66Å; W14-L60 HydrophobicContact CE3-CD1 3.86Å; W14-L60 HydrophobicContact CZ3-CD1 4.4Å; W14-L60 HydrophobicContact CZ3-CD2 4.49Å; W14-E61 HydrophobicContact CE3-CG 4.41Å; W14-E61 PolarHBondContact N-OE1 3.24Å; W14-R162 HydrophobicContact CD2-CG 3.97Å; W14-R162 HydrophobicContact CE3-CG 4.01Å; W14-R162 HydrophobicContact CH2-CB 4.06Å; W14-R162 HydrophobicContact CH2-CG 3.63Å; W14-R162 HydrophobicContact CZ2-CB 4.45Å; W14-R162 HydrophobicContact CZ2-CG 3.53Å; W14-R162 HydrophobicContact CZ3-CB 4.1Å; W14-R162 HydrophobicContact CZ3-CG 3.85Å; W14-T165 HydrophobicContact CH2-CG2 4Å; W14-T165 HydrophobicContact CZ3-CG2 4.31Å
15S83.6Confident65.5Low70 Ų7080.6 Ų80.649%0.4945%0.453SS..Hα-helixtrans-62.3-21-174.857.80000114.6N13 M17 F18N13-S15 VanDerWaalsContact C-N 3.34Å; N13-S15 PolarHBondContact O-N 3.17Å; S15-M17 VanDerWaalsContact C-N 3.35Å; S15-F18 WeakPolarHBondContact CA-O 3.34Å
16K83.4Confident68.4Low148 Ų14876.5 Ų76.564%0.64343%0.426SS*.Hα-helixtrans-74.4-29.1174.1-59.9-162.7-160.7157.20112N13 W14N13-K16 PolarHBondContact O-N 3.07Å; N13-K16 WeakPolarHBondContact OD1-CD 3.29Å; N13-K16 WeakPolarHBondContact OD1-CE 3.37Å; N13-K16 WeakPolarHBondContact OD1-CG 3.29Å; N13-K16 PolarHBondContact OD1-NZ 3.37Å; W14-K16 PolarHBondContact O-N 2.99Å; W14-K16 VanDerWaalsContact O-N 3.11Å
17M85.8Confident71.3Confident23 Ų2374.5 Ų74.511%0.11340%0.401CS..Hα-helixtrans-99.2-51.7-178.9-66.6-80.966.300112W14 S15 K34 K58 L60W14-M17 PolarHBondContact O-N 3.18Å; S15-M17 VanDerWaalsContact C-N 3.35Å; M17-K34 WeakPolarHBondContact O-CD 3.34Å; M17-K34 PolarHBondContact O-NZ 3.05Å; M17-K58 HydrophobicContact CE-CD 3.43Å; M17-K58 VanDerWaalsContact CE-CD 3.43Å; M17-K58 HydrophobicContact SD-CB 4.03Å; M17-K58 HydrophobicContact SD-CD 3.47Å; M17-K58 WeakPolarHBondContact SD-CD 3.45Å; M17-K58 HydrophobicContact SD-CG 4.36Å; M17-L60 HydrophobicContact CB-CD1 4.1Å; M17-L60 HydrophobicContact CG-CD1 4.29Å
18F90.9Very high74.3Confident1 Ų168 Ų680%0.00436%0.362CS..SBendtrans-120.8147.7-172.2-67.2-60.6000111.1W14 S15 F31 K34 L35 V38 L60 T165W14-F18 HydrophobicContact CD2-CB 4.13Å; W14-F18 HydrophobicContact CD2-CD2 4.29Å; W14-F18 VanDerWaalsContact CE2-CB 3.42Å; W14-F18 HydrophobicContact CE3-CD2 4.21Å; W14-F18 HydrophobicContact CH2-CB 4.33Å; W14-F18 AromaticContact CH2-CD2 3.7Å; W14-F18 HydrophobicContact CH2-CD2 3.7Å; W14-F18 HydrophobicContact CH2-CE2 4.35Å; W14-F18 HydrophobicContact CH2-CG 4.2Å; W14-F18 HydrophobicContact CZ2-CB 3.54Å; W14-F18 AromaticContact CZ2-CD2 3.81Å; W14-F18 HydrophobicContact CZ2-CD2 3.81Å; W14-F18 AromaticContact CZ2-CG 3.87Å; W14-F18 HydrophobicContact CZ2-CG 3.87Å; W14-F18 AromaticContact CZ3-CD2 3.93Å; W14-F18 HydrophobicContact CZ3-CD2 3.93Å; W14-F18 HydrophobicContact CZ3-CE2 4.5Å; W14-F18 PolarHBondContact O-N 3.08Å; S15-F18 WeakPolarHBondContact CA-O 3.34Å; F18-F31 HydrophobicContact CB-CD2 3.88Å; F18-F31 HydrophobicContact CB-CE2 4.15Å; F18-F31 AromaticContact CD1-CD2 3.46Å; F18-F31 HydrophobicContact CD1-CD2 3.46Å; F18-F31 VanDerWaalsContact CD1-CD2 3.46Å; F18-F31 AromaticContact CD1-CE2 3.69Å; F18-F31 HydrophobicContact CD1-CE2 3.69Å; F18-F31 HydrophobicContact CD1-CG 4.48Å; F18-F31 HydrophobicContact CD2-CE2 4.44Å; F18-F31 HydrophobicContact CE1-CD2 4.23Å; F18-F31 HydrophobicContact CE1-CE2 4.2Å; F18-F31 AromaticContact CG-CD2 3.82Å; F18-F31 HydrophobicContact CG-CD2 3.82Å; F18-F31 AromaticContact CG-CE2 3.84Å; F18-F31 HydrophobicContact CG-CE2 3.84Å; F18-K34 HydrophobicContact CD1-CB 4.08Å; F18-K34 HydrophobicContact CE1-CB 3.85Å; F18-L35 HydrophobicContact CE1-CB 3.9Å; F18-L35 HydrophobicContact CZ-CB 4.3Å; F18-L35 HydrophobicContact CZ-CD1 4.1Å; F18-V38 HydrophobicContact CZ-CG2 4.27Å; F18-L60 HydrophobicContact CD2-CD1 4.2Å; F18-L60 HydrophobicContact CD2-CD2 4.14Å; F18-L60 HydrophobicContact CE2-CD1 4.45Å; F18-L60 HydrophobicContact CE2-CD2 3.61Å; F18-T165 HydrophobicContact CE2-CG2 3.98Å; F18-T165 HydrophobicContact CZ-CG2 4.28Å
19P87.1Confident77.3Confident23 Ų2359.8 Ų59.815%0.14933%0.327CS..  trans-62.4151.217226.5-31.1000110.3W14 L22 Q27 F31W14-P19 PolarHBondContact NE1-O 2.62Å; W14-P19 VanDerWaalsContact NE1-O 3.08Å; P19-L22 HydrophobicContact CG-CD2 3.94Å; P19-Q27 HydrophobicContact CB-CB 4.22Å; P19-Q27 HydrophobicContact CG-CB 4.39Å; P19-Q27 VanDerWaalsContact CG-O 3.28Å; P19-Q27 WeakPolarHBondContact CG-O 3.4Å; P19-F31 HydrophobicContact CG-CB 3.74Å
20N82.8Confident80.2Confident72 Ų7254.6 Ų54.639%0.38531%0.306SS..SBendtrans-82.1-37.1179.8-74.7-28.2000111.8W14 E158W14-N20 VanDerWaalsContact CD1-OD1 3.29Å; N20-E158 VanDerWaalsContact O-OE2 3.06Å
21E83.2Confident83.1Confident94 Ų9447.9 Ų47.944%0.43927%0.27SS..  trans-100.895-171.2-49.7166.9169.900110.3G23 Q27 E158E21-G23 VanDerWaalsContact C-N 3.29Å; E21-G23 PolarHBondContact O-N 3.43Å; E21-Q27 VanDerWaalsContact CB-OE1 3.32Å; E21-Q27 WeakPolarHBondContact O-CB 3.44Å; E21-Q27 VanDerWaalsContact O-CD 3.27Å; E21-Q27 PolarHBondContact O-OE1 2.85Å; E21-Q27 PolarHBondContact OE2-NE2 2.73Å; E21-E158 VanDerWaalsContact CA-OE1 3.27Å; E21-E158 WeakPolarHBondContact CA-OE1 3.1Å
22L83.6Confident85.7Confident1 Ų141.5 Ų41.51%0.00524%0.237CC..THydrogen-bonded Turntrans-87.8-2.1-176.3-55.8177.9000112.8P19 V24 F31 E158 A161 T232P19-L22 HydrophobicContact CG-CD2 3.94Å; L22-V24 VanDerWaalsContact C-N 3.29Å; L22-V24 PolarHBondContact O-N 3.06Å; L22-F31 HydrophobicContact CD1-CD2 4.41Å; L22-F31 HydrophobicContact CD1-CE2 4.41Å; L22-F31 HydrophobicContact CD1-CZ 4.46Å; L22-F31 HydrophobicContact CD2-CB 3.6Å; L22-F31 HydrophobicContact CD2-CD1 4.23Å; L22-F31 HydrophobicContact CD2-CD2 3.84Å; L22-F31 HydrophobicContact CD2-CG 3.62Å; L22-E158 HydrophobicContact CB-CG 4.21Å; L22-E158 PolarHBondContact N-OE1 3.49Å; L22-A161 HydrophobicContact CD1-CB 3.57Å; L22-T232 HydrophobicContact CB-CG2 4.34Å; L22-T232 HydrophobicContact CD1-CG2 4.22Å
23G80.7Confident87.8Confident41 Ų4141.3 Ų41.342%0.42322%0.224SC..THydrogen-bonded Turntrans-71.9-17.1174.800000114.5E21 H234E21-G23 VanDerWaalsContact C-N 3.29Å; E21-G23 PolarHBondContact O-N 3.43Å; G23-H234 PolarHBondContact O-NE2 2.88Å
24V86.6Confident88.8Confident70 Ų7043.6 Ų43.642%0.42423%0.232SC..SBendtrans-95.3131.3177.1-178.20000109.9L22 I26 Q27 S28L22-V24 VanDerWaalsContact C-N 3.29Å; L22-V24 PolarHBondContact O-N 3.06Å; V24-I26 VanDerWaalsContact C-N 3.34Å; V24-I26 PolarHBondContact O-N 3.41Å; V24-Q27 HydrophobicContact CB-CB 4.23Å; V24-Q27 HydrophobicContact CB-CG 4.13Å; V24-Q27 HydrophobicContact CG1-CG 4.47Å; V24-Q27 PolarHBondContact O-N 3.37Å; V24-Q27 VanDerWaalsContact O-N 3.1Å; V24-S28 WeakPolarHBondContact O-CB 3.39Å; V24-S28 PolarHBondContact O-N 3.22Å
25E88.6Confident89.3Confident71 Ų7143.2 Ų43.233%0.33223%0.231SC..Hα-helixtrans-53.1-47.8-176.3-176.3-177.4-164.700112.8Q27 S28 L29 H94 H234 H235E25-Q27 PolarHBondContact O-N 3.25Å; E25-S28 CarbonylContact O-C 3.6Å; E25-S28 WeakPolarHBondContact O-CB 3.31Å; E25-S28 PolarHBondContact O-N 2.84Å; E25-L29 WeakPolarHBondContact O-CB 3.43Å; E25-L29 PolarHBondContact O-N 3.12Å; E25-H94 IonicContact OE1-CE1 3.41Å; E25-H234 WeakPolarHBondContact CA-CD2 3.44Å; E25-H234 HydrophobicContact CB-CB 4.35Å; E25-H234 HydrophobicContact CG-CB 4.17Å; E25-H234 PolarHBondContact N-CD2 3.33Å; E25-H234 VanDerWaalsContact N-CD2 3.34Å; E25-H234 PolarHBondContact N-NE2 2.78Å; E25-H235 PolarHBondContact O-CE1 3.02Å
26I90.9Very high90Very high43 Ų4339.9 Ų39.922%0.22121%0.207CC..Hα-helixtrans-63.5-42.3180-66.2176.8000111.6V24 S28 L29 V30 R401V24-I26 VanDerWaalsContact C-N 3.34Å; V24-I26 PolarHBondContact O-N 3.41Å; I26-S28 VanDerWaalsContact C-N 3.35Å; I26-L29 WeakPolarHBondContact O-CB 3.41Å; I26-L29 PolarHBondContact O-N 3.34Å; I26-V30 WeakPolarHBondContact O-CG2 3.37Å; I26-V30 PolarHBondContact O-N 3.45Å; I26-R401 HydrophobicContact CD1-CB 4.45Å; I26-R401 VanDerWaalsContact CD1-O 3.27Å; I26-R401 WeakPolarHBondContact CD1-O 3.41Å
27Q91.3Very high90.6Very high49 Ų4933.8 Ų33.823%0.22919%0.185CC..Hα-helixtrans-68.1-39177.9-66.8-162.64000111.1P19 E21 V24 E25 L29 V30 F31P19-Q27 HydrophobicContact CB-CB 4.22Å; P19-Q27 HydrophobicContact CG-CB 4.39Å; P19-Q27 VanDerWaalsContact CG-O 3.28Å; P19-Q27 WeakPolarHBondContact CG-O 3.4Å; E21-Q27 VanDerWaalsContact CB-OE1 3.32Å; E21-Q27 WeakPolarHBondContact O-CB 3.44Å; E21-Q27 VanDerWaalsContact O-CD 3.27Å; E21-Q27 PolarHBondContact O-OE1 2.85Å; E21-Q27 PolarHBondContact OE2-NE2 2.73Å; V24-Q27 HydrophobicContact CB-CB 4.23Å; V24-Q27 HydrophobicContact CB-CG 4.13Å; V24-Q27 HydrophobicContact CG1-CG 4.47Å; V24-Q27 PolarHBondContact O-N 3.37Å; V24-Q27 VanDerWaalsContact O-N 3.1Å; E25-Q27 PolarHBondContact O-N 3.25Å; Q27-L29 VanDerWaalsContact C-N 3.33Å; Q27-L29 PolarHBondContact O-N 3.34Å; Q27-V30 PolarHBondContact O-N 3.11Å; Q27-F31 VanDerWaalsContact O-CB 3.3Å; Q27-F31 WeakPolarHBondContact O-CB 3.42Å; Q27-F31 PolarHBondContact O-N 3.34Å
28S92Very high91.1Very high0 Ų033.2 Ų33.20%018%0.182CC..Hα-helixtrans-60.6-40.8171.6168.60000111.8V24 E25 I26 F31 I32 T232 H235V24-S28 WeakPolarHBondContact O-CB 3.39Å; V24-S28 PolarHBondContact O-N 3.22Å; E25-S28 CarbonylContact O-C 3.6Å; E25-S28 WeakPolarHBondContact O-CB 3.31Å; E25-S28 PolarHBondContact O-N 2.84Å; I26-S28 VanDerWaalsContact C-N 3.35Å; S28-F31 WeakPolarHBondContact O-CB 3.41Å; S28-F31 PolarHBondContact O-N 2.78Å; S28-I32 VanDerWaalsContact O-CG1 3.32Å; S28-I32 WeakPolarHBondContact O-CG1 3.5Å; S28-I32 PolarHBondContact O-N 3.36Å; S28-T232 WeakPolarHBondContact OG-CB 3.47Å; S28-T232 PolarHBondContact OG-OG1 2.99Å; S28-H235 PolarHBondContact OG-ND1 3.05Å
29L93Very high91.4Very high21 Ų2133.2 Ų33.211%0.1118%0.183CC..Hα-helixtrans-65.1-46176.8-167.570.4000111.7E25 I26 Q27 F31 I32 K33 I91 H235E25-L29 WeakPolarHBondContact O-CB 3.43Å; E25-L29 PolarHBondContact O-N 3.12Å; I26-L29 WeakPolarHBondContact O-CB 3.41Å; I26-L29 PolarHBondContact O-N 3.34Å; Q27-L29 VanDerWaalsContact C-N 3.33Å; Q27-L29 PolarHBondContact O-N 3.34Å; L29-F31 VanDerWaalsContact C-N 3.3Å; L29-F31 PolarHBondContact O-N 2.96Å; L29-I32 PolarHBondContact O-N 2.83Å; L29-K33 PolarHBondContact O-N 3.35Å; L29-I91 HydrophobicContact CD1-CG2 3.64Å; L29-I91 HydrophobicContact CG-CG2 4.36Å; L29-H235 PolarHBondContact N-ND1 3.21Å
30V94.1Very high91.9Very high52 Ų5232.1 Ų32.132%0.31518%0.175SC..Hα-helixtrans-58.7-43.7173.8170.90000110.7I26 Q27 I32 K33 K34I26-V30 WeakPolarHBondContact O-CG2 3.37Å; I26-V30 PolarHBondContact O-N 3.45Å; Q27-V30 PolarHBondContact O-N 3.11Å; V30-I32 PolarHBondContact O-N 3.26Å; V30-K33 PolarHBondContact O-N 3.43Å; V30-K34 HydrophobicContact CG1-CD 4.28Å; V30-K34 HydrophobicContact CG1-CG 4.46Å; V30-K34 WeakPolarHBondContact O-CB 3.24Å; V30-K34 WeakPolarHBondContact O-CG 3.37Å; V30-K34 PolarHBondContact O-N 2.91Å
31F94.8Very high92.5Very high0 Ų028.8 Ų28.80%016%0.158CC..Hα-helixtrans-57.7-48175.6170.7-99.5000112W14 F18 P19 L22 Q27 S28 L29 K34 L35 T165 V230 T232W14-F31 HydrophobicContact CH2-CE2 4Å; W14-F31 HydrophobicContact CZ2-CD2 4.35Å; W14-F31 AromaticContact CZ2-CE2 3.66Å; W14-F31 HydrophobicContact CZ2-CE2 3.66Å; F18-F31 HydrophobicContact CB-CD2 3.88Å; F18-F31 HydrophobicContact CB-CE2 4.15Å; F18-F31 AromaticContact CD1-CD2 3.46Å; F18-F31 HydrophobicContact CD1-CD2 3.46Å; F18-F31 VanDerWaalsContact CD1-CD2 3.46Å; F18-F31 AromaticContact CD1-CE2 3.69Å; F18-F31 HydrophobicContact CD1-CE2 3.69Å; F18-F31 HydrophobicContact CD1-CG 4.48Å; F18-F31 HydrophobicContact CD2-CE2 4.44Å; F18-F31 HydrophobicContact CE1-CD2 4.23Å; F18-F31 HydrophobicContact CE1-CE2 4.2Å; F18-F31 AromaticContact CG-CD2 3.82Å; F18-F31 HydrophobicContact CG-CD2 3.82Å; F18-F31 AromaticContact CG-CE2 3.84Å; F18-F31 HydrophobicContact CG-CE2 3.84Å; P19-F31 HydrophobicContact CG-CB 3.74Å; L22-F31 HydrophobicContact CD1-CD2 4.41Å; L22-F31 HydrophobicContact CD1-CE2 4.41Å; L22-F31 HydrophobicContact CD1-CZ 4.46Å; L22-F31 HydrophobicContact CD2-CB 3.6Å; L22-F31 HydrophobicContact CD2-CD1 4.23Å; L22-F31 HydrophobicContact CD2-CD2 3.84Å; L22-F31 HydrophobicContact CD2-CG 3.62Å; Q27-F31 VanDerWaalsContact O-CB 3.3Å; Q27-F31 WeakPolarHBondContact O-CB 3.42Å; Q27-F31 PolarHBondContact O-N 3.34Å; S28-F31 WeakPolarHBondContact O-CB 3.41Å; S28-F31 PolarHBondContact O-N 2.78Å; L29-F31 VanDerWaalsContact C-N 3.3Å; L29-F31 PolarHBondContact O-N 2.96Å; F31-K34 PolarHBondContact O-N 3.34Å; F31-L35 HydrophobicContact CE1-CD2 4.05Å; F31-L35 HydrophobicContact CZ-CD2 4Å; F31-L35 VanDerWaalsContact O-CB 3.29Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 PolarHBondContact O-N 3.47Å; F31-T165 WeakPolarHBondContact CZ-OG1 3.17Å; F31-V230 HydrophobicContact CE1-CG1 3.68Å; F31-V230 HydrophobicContact CZ-CG1 3.8Å; F31-T232 HydrophobicContact CD1-CG2 3.63Å; F31-T232 HydrophobicContact CE1-CG2 3.73Å
32I95Very high93.1Very high2 Ų224.6 Ų24.61%0.0114%0.138CC..Hα-helixtrans-63.2-45.2179-67.7-66.3000111.8S28 L29 V30 K34 L35 F36 L128 H235 I237S28-I32 VanDerWaalsContact O-CG1 3.32Å; S28-I32 WeakPolarHBondContact O-CG1 3.5Å; S28-I32 PolarHBondContact O-N 3.36Å; L29-I32 PolarHBondContact O-N 2.83Å; V30-I32 PolarHBondContact O-N 3.26Å; I32-K34 VanDerWaalsContact C-N 3.35Å; I32-K34 PolarHBondContact O-N 3.14Å; I32-L35 PolarHBondContact O-N 2.88Å; I32-F36 WeakPolarHBondContact O-CB 3.42Å; I32-F36 PolarHBondContact O-N 3.16Å; I32-L128 HydrophobicContact CG2-CD2 3.82Å; I32-H235 HydrophobicContact CD1-CB 4.07Å; I32-H235 HydrophobicContact CG1-CB 3.55Å; I32-I237 HydrophobicContact CD1-CB 4.04Å; I32-I237 HydrophobicContact CD1-CG2 3.76Å
33K96.6Very high93.7Very high42 Ų4224.8 Ų24.818%0.18314%0.139CC..Hα-helixtrans-59.1-46.6177.2-71.9-166.6-63.9-176.70111.6L29 V30 F36 A37 F88 I91 D92L29-K33 PolarHBondContact O-N 3.35Å; V30-K33 PolarHBondContact O-N 3.43Å; K33-F36 PolarHBondContact O-N 3.02Å; K33-A37 PolarHBondContact O-N 2.81Å; K33-F88 HydrophobicContact CB-CD1 3.97Å; K33-F88 HydrophobicContact CB-CE1 4.12Å; K33-F88 HydrophobicContact CD-CB 3.94Å; K33-F88 HydrophobicContact CD-CD1 4.04Å; K33-F88 HydrophobicContact CD-CG 4.13Å; K33-F88 HydrophobicContact CG-CD1 4Å; K33-F88 WeakPolarHBondContact O-CE1 3.45Å; K33-I91 HydrophobicContact CD-CB 4.47Å; K33-I91 HydrophobicContact CD-CG2 4.21Å; K33-I91 HydrophobicContact CG-CB 4.19Å; K33-I91 HydrophobicContact CG-CD1 4.24Å; K33-I91 HydrophobicContact CG-CG2 3.66Å; K33-D92 WeakPolarHBondContact CD-OD1 3.34Å; K33-D92 WeakPolarHBondContact CE-OD1 3.43Å; K33-D92 IonicContact NZ-OD1 2.7Å; K33-D92 PolarHBondContact NZ-OD1 3.26Å; K33-D92 IonicContact NZ-OD2 2.61Å; K33-D92 PolarHBondContact NZ-OD2 3.34Å
34K95.5Very high94.3Very high85 Ų8522.9 Ų22.937%0.3712%0.119SC..Hα-helixtrans-64.6-42.8177.4-70.7-169.5179.6-176.80111.9M17 F18 V30 F31 I32 F36 A37 V38M17-K34 WeakPolarHBondContact O-CD 3.34Å; M17-K34 PolarHBondContact O-NZ 3.05Å; F18-K34 HydrophobicContact CD1-CB 4.08Å; F18-K34 HydrophobicContact CE1-CB 3.85Å; V30-K34 HydrophobicContact CG1-CD 4.28Å; V30-K34 HydrophobicContact CG1-CG 4.46Å; V30-K34 WeakPolarHBondContact O-CB 3.24Å; V30-K34 WeakPolarHBondContact O-CG 3.37Å; V30-K34 PolarHBondContact O-N 2.91Å; F31-K34 PolarHBondContact O-N 3.34Å; I32-K34 VanDerWaalsContact C-N 3.35Å; I32-K34 PolarHBondContact O-N 3.14Å; K34-F36 VanDerWaalsContact C-N 3.34Å; K34-F36 PolarHBondContact O-N 2.82Å; K34-A37 PolarHBondContact O-N 2.92Å; K34-V38 WeakPolarHBondContact O-CB 3.3Å; K34-V38 WeakPolarHBondContact O-CG2 3.41Å; K34-V38 PolarHBondContact O-N 3.03Å
35L96.6Very high94.8Very high0 Ų022.3 Ų22.30%011%0.11CC..Hα-helixtrans-65.4-40.8-179.6177.956.4000111.1F18 F31 I32 V38 A39 T165 L168 V230 I237F18-L35 HydrophobicContact CE1-CB 3.9Å; F18-L35 HydrophobicContact CZ-CB 4.3Å; F18-L35 HydrophobicContact CZ-CD1 4.1Å; F31-L35 HydrophobicContact CE1-CD2 4.05Å; F31-L35 HydrophobicContact CZ-CD2 4Å; F31-L35 VanDerWaalsContact O-CB 3.29Å; F31-L35 WeakPolarHBondContact O-CB 3.46Å; F31-L35 PolarHBondContact O-N 3.47Å; I32-L35 PolarHBondContact O-N 2.88Å; L35-V38 PolarHBondContact O-N 2.81Å; L35-A39 VanDerWaalsContact O-CB 3.23Å; L35-A39 WeakPolarHBondContact O-CB 3.31Å; L35-A39 PolarHBondContact O-N 3.49Å; L35-T165 HydrophobicContact CD1-CG2 3.74Å; L35-L168 HydrophobicContact CD1-CD2 4.36Å; L35-L168 HydrophobicContact CD2-CD2 4.49Å; L35-V230 HydrophobicContact CD2-CB 3.78Å; L35-V230 HydrophobicContact CD2-CG1 3.88Å; L35-V230 HydrophobicContact CD2-CG2 3.77Å; L35-I237 HydrophobicContact CD2-CG2 3.63Å; L35-I237 HydrophobicContact CG-CG2 4.32Å
36F97.5Very high95Very high0 Ų020.9 Ų20.90%010%0.103CC..Hα-helixtrans-58.3-49.3172.7177.4-114.6000111.4I32 K33 K34 V38 A39 V40 L84 C87 F88 I91 A99 F126 I237I32-F36 WeakPolarHBondContact O-CB 3.42Å; I32-F36 PolarHBondContact O-N 3.16Å; K33-F36 PolarHBondContact O-N 3.02Å; K34-F36 VanDerWaalsContact C-N 3.34Å; K34-F36 PolarHBondContact O-N 2.82Å; F36-V38 PolarHBondContact O-N 2.61Å; F36-A39 PolarHBondContact O-N 3.42Å; F36-V40 HydrophobicContact CD2-CG2 4.19Å; F36-V40 HydrophobicContact CE1-CG2 4.49Å; F36-V40 HydrophobicContact CE2-CG2 3.85Å; F36-V40 HydrophobicContact CZ-CG2 4.01Å; F36-V40 WeakPolarHBondContact O-CG2 3.43Å; F36-V40 PolarHBondContact O-N 2.98Å; F36-L84 HydrophobicContact CD1-CD2 4.04Å; F36-L84 HydrophobicContact CE1-CD2 3.5Å; F36-L84 VanDerWaalsContact CE1-CD2 3.5Å; F36-L84 HydrophobicContact CZ-CD2 4.15Å; F36-C87 HydrophobicContact CD1-CB 4.42Å; F36-C87 HydrophobicContact CE1-CB 3.57Å; F36-C87 HydrophobicContact CZ-CB 4.24Å; F36-F88 HydrophobicContact CD1-CE1 4.12Å; F36-I91 HydrophobicContact CD1-CD1 4.35Å; F36-A99 HydrophobicContact CE2-CB 4Å; F36-A99 HydrophobicContact CZ-CB 3.78Å; F36-F126 HydrophobicContact CD2-CB 3.9Å; F36-F126 AromaticContact CD2-CD1 3.75Å; F36-F126 HydrophobicContact CD2-CD1 3.75Å; F36-F126 HydrophobicContact CD2-CD2 4.21Å; F36-F126 HydrophobicContact CD2-CE1 4.3Å; F36-F126 AromaticContact CD2-CG 3.69Å; F36-F126 HydrophobicContact CD2-CG 3.69Å; F36-F126 HydrophobicContact CE2-CB 3.69Å; F36-F126 HydrophobicContact CE2-CD1 4.01Å; F36-F126 AromaticContact CE2-CD2 3.6Å; F36-F126 HydrophobicContact CE2-CD2 3.6Å; F36-F126 HydrophobicContact CE2-CE2 4.19Å; F36-F126 AromaticContact CE2-CG 3.49Å; F36-F126 HydrophobicContact CE2-CG 3.49Å; F36-F126 VanDerWaalsContact CE2-CG 3.49Å; F36-I237 HydrophobicContact CB-CD1 3.88Å; F36-I237 HydrophobicContact CD2-CD1 4.1Å; F36-I237 HydrophobicContact CG-CD1 4.45Å
37A96.9Very high95.1Very high20 Ų2019.3 Ų19.317%0.1659%0.094CC..Hα-helixtrans-61.3-44.7178.800000113K33 K34 S41 F88K33-A37 PolarHBondContact O-N 2.81Å; K34-A37 PolarHBondContact O-N 2.92Å; A37-S41 WeakPolarHBondContact O-CB 3.47Å; A37-S41 PolarHBondContact O-N 2.6Å; A37-S41 PolarHBondContact O-OG 3.49Å; A37-F88 HydrophobicContact CB-CE1 4.28Å; A37-F88 HydrophobicContact CB-CZ 3.82Å
38V96.2Very high95.2Very high11 Ų1120.5 Ų20.57%0.06710%0.102CC..Hα-helixtrans-61.7-49.5176.4172.40000109.6F18 K34 L35 F36 V40 S41 Y42 L65 I67 L169F18-V38 HydrophobicContact CZ-CG2 4.27Å; K34-V38 WeakPolarHBondContact O-CB 3.3Å; K34-V38 WeakPolarHBondContact O-CG2 3.41Å; K34-V38 PolarHBondContact O-N 3.03Å; L35-V38 PolarHBondContact O-N 2.81Å; F36-V38 PolarHBondContact O-N 2.61Å; V38-V40 PolarHBondContact O-N 2.85Å; V38-S41 PolarHBondContact O-N 3.37Å; V38-Y42 WeakPolarHBondContact O-CB 3.24Å; V38-Y42 PolarHBondContact O-N 2.9Å; V38-L65 HydrophobicContact CG1-CD1 4.07Å; V38-L65 HydrophobicContact CG1-CD2 4.47Å; V38-I67 HydrophobicContact CB-CD1 4.28Å; V38-I67 HydrophobicContact CG1-CD1 4.15Å; V38-I67 HydrophobicContact CG2-CD1 3.82Å; V38-L169 HydrophobicContact CG1-CD2 3.8Å
39A96.8Very high95.2Very high1 Ų120.9 Ų20.91%0.00810%0.104CC..Hα-helixtrans-63.9-41-177.700000112.5L35 F36 Y42 V43 F126 I172 M239L35-A39 VanDerWaalsContact O-CB 3.23Å; L35-A39 WeakPolarHBondContact O-CB 3.31Å; L35-A39 PolarHBondContact O-N 3.49Å; F36-A39 PolarHBondContact O-N 3.42Å; A39-Y42 PolarHBondContact O-N 2.83Å; A39-V43 WeakPolarHBondContact O-CG2 3.45Å; A39-V43 PolarHBondContact O-N 3.33Å; A39-F126 HydrophobicContact CB-CE1 3.69Å; A39-F126 HydrophobicContact CB-CZ 4.33Å; A39-I172 HydrophobicContact CB-CD1 3.84Å; A39-M239 HydrophobicContact CB-SD 4.48Å
40V97.1Very high95.2Very high0 Ų020.4 Ų20.40%010%0.101CC..Hα-helixtrans-61-48.5173.21690000110.8F36 V38 Y42 V43 L44 I80 L84 I101 F126F36-V40 HydrophobicContact CD2-CG2 4.19Å; F36-V40 HydrophobicContact CE1-CG2 4.49Å; F36-V40 HydrophobicContact CE2-CG2 3.85Å; F36-V40 HydrophobicContact CZ-CG2 4.01Å; F36-V40 WeakPolarHBondContact O-CG2 3.43Å; F36-V40 PolarHBondContact O-N 2.98Å; V38-V40 PolarHBondContact O-N 2.85Å; V40-Y42 VanDerWaalsContact C-N 3.28Å; V40-Y42 PolarHBondContact O-N 2.94Å; V40-V43 PolarHBondContact O-N 2.78Å; V40-L44 HydrophobicContact CG1-CD1 3.88Å; V40-L44 HydrophobicContact CG1-CG 4.48Å; V40-L44 VanDerWaalsContact O-CG 3.29Å; V40-L44 WeakPolarHBondContact O-CG 3.44Å; V40-L44 PolarHBondContact O-N 2.78Å; V40-L44 VanDerWaalsContact O-N 3.07Å; V40-I80 HydrophobicContact CG1-CG2 4.4Å; V40-L84 HydrophobicContact CB-CD2 4.21Å; V40-L84 HydrophobicContact CG1-CD1 4.49Å; V40-L84 HydrophobicContact CG1-CD2 4.13Å; V40-L84 HydrophobicContact CG2-CD2 4.12Å; V40-I101 HydrophobicContact CB-CD1 4.31Å; V40-I101 HydrophobicContact CG1-CD1 3.62Å; V40-I101 HydrophobicContact CG2-CD1 3.89Å; V40-F126 HydrophobicContact CG2-CD2 4.46Å; V40-F126 HydrophobicContact CG2-CE1 4.37Å; V40-F126 HydrophobicContact CG2-CE2 3.71Å; V40-F126 HydrophobicContact CG2-CZ 3.65Å
41S96.6Very high95.1Very high2 Ų220.2 Ų20.21%0.01410%0.101CC..Hα-helixtrans-58.4-43178.3-57.30000111.9A37 V38 L44 Y45 F55 K66 L68A37-S41 WeakPolarHBondContact O-CB 3.47Å; A37-S41 PolarHBondContact O-N 2.6Å; A37-S41 PolarHBondContact O-OG 3.49Å; V38-S41 PolarHBondContact O-N 3.37Å; S41-L44 PolarHBondContact O-N 3.3Å; S41-Y45 PolarHBondContact O-N 3.14Å; S41-F55 WeakPolarHBondContact O-CE1 3.47Å; S41-K66 VanDerWaalsContact CB-O 3.22Å; S41-K66 WeakPolarHBondContact CB-O 3.4Å; S41-L68 VanDerWaalsContact CB-N 3.34Å; S41-L68 WeakPolarHBondContact OG-CB 3.44Å; S41-L68 PolarHBondContact OG-N 3.11Å
42Y95Very high94.9Very high5 Ų526.8 Ų26.82%0.0213%0.132CC..Hα-helixtrans-69-36.2-177.3-143.2-147.9000112.2V38 A39 V40 Y45 F46 I63 E64 L65 L169 I172V38-Y42 WeakPolarHBondContact O-CB 3.24Å; V38-Y42 PolarHBondContact O-N 2.9Å; A39-Y42 PolarHBondContact O-N 2.83Å; V40-Y42 VanDerWaalsContact C-N 3.28Å; V40-Y42 PolarHBondContact O-N 2.94Å; Y42-Y45 PolarHBondContact O-N 3.3Å; Y42-F46 HydrophobicContact CD1-CD2 4.27Å; Y42-F46 AromaticContact CD1-CE2 3.81Å; Y42-F46 HydrophobicContact CD1-CE2 3.81Å; Y42-F46 HydrophobicContact CD2-CD2 4.14Å; Y42-F46 AromaticContact CD2-CE2 3.67Å; Y42-F46 HydrophobicContact CD2-CE2 3.67Å; Y42-F46 HydrophobicContact CE1-CD2 4.42Å; Y42-F46 AromaticContact CE1-CE2 3.54Å; Y42-F46 HydrophobicContact CE1-CE2 3.54Å; Y42-F46 HydrophobicContact CE1-CZ 4.38Å; Y42-F46 HydrophobicContact CE2-CD2 4.27Å; Y42-F46 AromaticContact CE2-CE2 3.37Å; Y42-F46 HydrophobicContact CE2-CE2 3.37Å; Y42-F46 AromaticContact CE2-CZ 3.91Å; Y42-F46 HydrophobicContact CE2-CZ 3.91Å; Y42-F46 HydrophobicContact CG-CD2 4.12Å; Y42-F46 AromaticContact CG-CE2 3.87Å; Y42-F46 HydrophobicContact CG-CE2 3.87Å; Y42-F46 AromaticContact CZ-CE2 3.29Å; Y42-F46 AromaticContact CZ-CZ 3.8Å; Y42-F46 VanDerWaalsContact O-CD2 3.27Å; Y42-F46 WeakPolarHBondContact O-CD2 3.28Å; Y42-F46 PolarHBondContact O-N 3.11Å; Y42-I63 WeakPolarHBondContact OH-CG2 3.47Å; Y42-E64 PolarHBondContact OH-O 3.12Å; Y42-L65 HydrophobicContact CD1-CD2 4.48Å; Y42-L65 HydrophobicContact CD2-CD2 4.41Å; Y42-L65 HydrophobicContact CE1-CD2 4.04Å; Y42-L65 HydrophobicContact CE2-CD2 3.97Å; Y42-L169 HydrophobicContact CD1-CB 4.36Å; Y42-L169 HydrophobicContact CD1-CD2 3.98Å; Y42-L169 HydrophobicContact CE1-CB 4.08Å; Y42-L169 HydrophobicContact CE1-CD2 4.44Å; Y42-L169 WeakPolarHBondContact CE1-O 3.49Å; Y42-I172 HydrophobicContact CD1-CB 4.31Å; Y42-I172 HydrophobicContact CD1-CG2 4.11Å
43V95.1Very high94.8Very high5 Ų530.4 Ų30.43%0.0316%0.157CC..Hα-helixtrans-60.4-50.1169.81670000111A39 V40 Y45 F46 R47 Y124 I172 M239A39-V43 WeakPolarHBondContact O-CG2 3.45Å; A39-V43 PolarHBondContact O-N 3.33Å; V40-V43 PolarHBondContact O-N 2.78Å; V43-Y45 PolarHBondContact O-N 3.39Å; V43-F46 PolarHBondContact O-N 3.16Å; V43-R47 HydrophobicContact CG1-CG 4.31Å; V43-R47 WeakPolarHBondContact O-CB 3.07Å; V43-R47 WeakPolarHBondContact O-CG 3.14Å; V43-R47 PolarHBondContact O-N 3.21Å; V43-Y124 HydrophobicContact CB-CD1 4.36Å; V43-Y124 HydrophobicContact CB-CE1 4.43Å; V43-Y124 HydrophobicContact CG1-CD1 3.58Å; V43-Y124 HydrophobicContact CG1-CD2 3.74Å; V43-Y124 HydrophobicContact CG1-CE1 3.51Å; V43-Y124 HydrophobicContact CG1-CE2 3.66Å; V43-Y124 HydrophobicContact CG1-CG 3.71Å; V43-Y124 HydrophobicContact CG2-CD1 3.76Å; V43-Y124 HydrophobicContact CG2-CE1 4Å; V43-Y124 HydrophobicContact CG2-CG 4.41Å; V43-I172 HydrophobicContact CG2-CG2 3.87Å; V43-M239 HydrophobicContact CG2-CE 3.35Å
44L95.3Very high94.6Very high2 Ų228.4 Ų28.41%0.0115%0.148CC..Hα-helixtrans-61.5-34.8-177.6-64.8166.7000111.9V40 S41 D48 I49 F50 F55 L68 I80 I188V40-L44 HydrophobicContact CG1-CD1 3.88Å; V40-L44 HydrophobicContact CG1-CG 4.48Å; V40-L44 VanDerWaalsContact O-CG 3.29Å; V40-L44 WeakPolarHBondContact O-CG 3.44Å; V40-L44 PolarHBondContact O-N 2.78Å; V40-L44 VanDerWaalsContact O-N 3.07Å; S41-L44 PolarHBondContact O-N 3.3Å; L44-D48 PolarHBondContact O-N 3.04Å; L44-I49 HydrophobicContact CB-CB 4.4Å; L44-I49 HydrophobicContact CD2-CB 4.06Å; L44-I49 HydrophobicContact CD2-CG1 4.02Å; L44-I49 HydrophobicContact CD2-CG2 3.95Å; L44-I49 WeakPolarHBondContact O-CB 3.47Å; L44-I49 PolarHBondContact O-N 3.06Å; L44-F50 HydrophobicContact CB-CD2 4.32Å; L44-F50 HydrophobicContact CD1-CE2 4.2Å; L44-F50 HydrophobicContact CD2-CE2 4.25Å; L44-F55 HydrophobicContact CB-CE1 4.26Å; L44-F55 HydrophobicContact CB-CZ 4.11Å; L44-L68 HydrophobicContact CD1-CD1 4.44Å; L44-L68 HydrophobicContact CD1-CD2 3.88Å; L44-I80 HydrophobicContact CD1-CG2 3.93Å; L44-I188 HydrophobicContact CD2-CD1 3.74Å
45Y95.1Very high94.6Very high57 Ų5724.8 Ų24.822%0.22413%0.133CC..Hα-helixtrans-68.9-55.3174.6177.1-106.6000112.5S41 Y42 V43 R47 D48 E52 F55 K66S41-Y45 PolarHBondContact O-N 3.14Å; Y42-Y45 PolarHBondContact O-N 3.3Å; V43-Y45 PolarHBondContact O-N 3.39Å; Y45-R47 VanDerWaalsContact C-N 3.26Å; Y45-R47 PolarHBondContact O-N 2.68Å; Y45-D48 WeakPolarHBondContact O-CA 3.37Å; Y45-D48 PolarHBondContact O-N 3.36Å; Y45-E52 HydrophobicContact CE2-CG 4.36Å; Y45-F55 HydrophobicContact CD2-CD2 4.06Å; Y45-F55 HydrophobicContact CD2-CE2 4.09Å; Y45-F55 HydrophobicContact CD2-CG 4.43Å; Y45-F55 HydrophobicContact CD2-CZ 4.49Å; Y45-K66 HydrophobicContact CD1-CB 4.05Å; Y45-K66 HydrophobicContact CD1-CG 3.63Å; Y45-K66 HydrophobicContact CD2-CB 3.88Å; Y45-K66 HydrophobicContact CD2-CD 4.44Å; Y45-K66 HydrophobicContact CD2-CG 3.62Å; Y45-K66 HydrophobicContact CE1-CG 3.65Å; Y45-K66 HydrophobicContact CE2-CB 4.39Å; Y45-K66 HydrophobicContact CE2-CD 4.11Å; Y45-K66 HydrophobicContact CE2-CG 3.63Å; Y45-K66 HydrophobicContact CG-CB 3.67Å; Y45-K66 HydrophobicContact CG-CG 3.6Å; Y45-K66 WeakPolarHBondContact OH-CE 3.4Å
46F93.4Very high94.4Very high42 Ų4226.5 Ų26.518%0.18414%0.14CC..Hα-helixtrans-72-18.6-176.2-77.5-64.6000114.7Y42 V43 D48 I172 Q173Y42-F46 HydrophobicContact CD1-CD2 4.27Å; Y42-F46 AromaticContact CD1-CE2 3.81Å; Y42-F46 HydrophobicContact CD1-CE2 3.81Å; Y42-F46 HydrophobicContact CD2-CD2 4.14Å; Y42-F46 AromaticContact CD2-CE2 3.67Å; Y42-F46 HydrophobicContact CD2-CE2 3.67Å; Y42-F46 HydrophobicContact CE1-CD2 4.42Å; Y42-F46 AromaticContact CE1-CE2 3.54Å; Y42-F46 HydrophobicContact CE1-CE2 3.54Å; Y42-F46 HydrophobicContact CE1-CZ 4.38Å; Y42-F46 HydrophobicContact CE2-CD2 4.27Å; Y42-F46 AromaticContact CE2-CE2 3.37Å; Y42-F46 HydrophobicContact CE2-CE2 3.37Å; Y42-F46 AromaticContact CE2-CZ 3.91Å; Y42-F46 HydrophobicContact CE2-CZ 3.91Å; Y42-F46 HydrophobicContact CG-CD2 4.12Å; Y42-F46 AromaticContact CG-CE2 3.87Å; Y42-F46 HydrophobicContact CG-CE2 3.87Å; Y42-F46 AromaticContact CZ-CE2 3.29Å; Y42-F46 AromaticContact CZ-CZ 3.8Å; Y42-F46 VanDerWaalsContact O-CD2 3.27Å; Y42-F46 WeakPolarHBondContact O-CD2 3.28Å; Y42-F46 PolarHBondContact O-N 3.11Å; V43-F46 PolarHBondContact O-N 3.16Å; F46-D48 VanDerWaalsContact C-N 3.27Å; F46-I172 HydrophobicContact CD2-CG2 4.41Å; F46-Q173 HydrophobicContact CD1-CG 4.48Å; F46-Q173 HydrophobicContact CD2-CB 4.21Å; F46-Q173 HydrophobicContact CE1-CB 4.23Å; F46-Q173 HydrophobicContact CE1-CG 3.72Å; F46-Q173 HydrophobicContact CE2-CB 3.53Å; F46-Q173 HydrophobicContact CE2-CG 3.93Å; F46-Q173 HydrophobicContact CZ-CB 3.57Å; F46-Q173 HydrophobicContact CZ-CG 3.4Å; F46-Q173 VanDerWaalsContact CZ-CG 3.4Å
47R92.9Very high94.1Very high9 Ų931.7 Ų31.73%0.03417%0.168CC..THydrogen-bonded Turntrans-89.52.6168.8-60.6-54-69.9144.4-11.9113.2V43 Y45 I49 E122 Y124 L179 S180 L182V43-R47 HydrophobicContact CG1-CG 4.31Å; V43-R47 WeakPolarHBondContact O-CB 3.07Å; V43-R47 WeakPolarHBondContact O-CG 3.14Å; V43-R47 PolarHBondContact O-N 3.21Å; Y45-R47 VanDerWaalsContact C-N 3.26Å; Y45-R47 PolarHBondContact O-N 2.68Å; R47-I49 HydrophobicContact CB-CD1 4.03Å; R47-I49 HydrophobicContact CB-CG1 3.91Å; R47-I49 PolarHBondContact O-N 3.33Å; R47-E122 IonicContact CZ-OE1 3.1Å; R47-E122 IonicContact NE-OE1 3.32Å; R47-E122 PolarHBondContact NE-OE1 3.32Å; R47-E122 IonicContact NH2-OE1 2.92Å; R47-E122 PolarHBondContact NH2-OE1 3.46Å; R47-E122 IonicContact NH2-OE2 3.88Å; R47-Y124 WeakPolarHBondContact CD-OH 3.33Å; R47-Y124 HydrophobicContact CG-CE2 4.44Å; R47-Y124 WeakPolarHBondContact CG-OH 3.33Å; R47-Y124 PolarHBondContact NE-OH 3.06Å; R47-L179 PolarHBondContact NH1-O 3.47Å; R47-S180 PolarHBondContact NH1-O 3.43Å; R47-S180 PolarHBondContact NH2-O 2.96Å; R47-L182 HydrophobicContact CB-CD1 4.07Å; R47-L182 VanDerWaalsContact NH2-CD2 3.28Å
48D92.8Very high93.7Very high75 Ų7534 Ų3440%0.40117%0.174SC..THydrogen-bonded Turntrans55.144.1173.4-179.445.2000110.6L44 Y45 F46 R527L44-D48 PolarHBondContact O-N 3.04Å; Y45-D48 WeakPolarHBondContact O-CA 3.37Å; Y45-D48 PolarHBondContact O-N 3.36Å; F46-D48 VanDerWaalsContact C-N 3.27Å; D48-R527 WeakPolarHBondContact O-CD 3.46Å; D48-R527 WeakPolarHBondContact O-CG 3.38Å; D48-R527 PolarHBondContact O-NE 3.18Å; D48-R527 IonicContact OD2-CZ 2.66Å; D48-R527 IonicContact OD2-NE 3.38Å; D48-R527 IonicContact OD2-NH2 2.73Å; D48-R527 PolarHBondContact OD2-NH2 3.1Å
49I93.3Very high93.3Very high7 Ų737.5 Ų37.54%0.03619%0.19CC..  trans-77.4-34.9179.6-57.8-59.6000110.2L44 R47 L103 L182 I188 V525L44-I49 HydrophobicContact CB-CB 4.4Å; L44-I49 HydrophobicContact CD2-CB 4.06Å; L44-I49 HydrophobicContact CD2-CG1 4.02Å; L44-I49 HydrophobicContact CD2-CG2 3.95Å; L44-I49 WeakPolarHBondContact O-CB 3.47Å; L44-I49 PolarHBondContact O-N 3.06Å; R47-I49 HydrophobicContact CB-CD1 4.03Å; R47-I49 HydrophobicContact CB-CG1 3.91Å; R47-I49 PolarHBondContact O-N 3.33Å; I49-L103 HydrophobicContact CD1-CD1 4.01Å; I49-L103 HydrophobicContact CD1-CD2 4.25Å; I49-L182 HydrophobicContact CD1-CD1 3.72Å; I49-I188 HydrophobicContact CG2-CD1 4.48Å; I49-V525 HydrophobicContact CG2-CG1 3.91Å; I49-V525 HydrophobicContact CG2-CG2 4.35Å; I49-V525 WeakPolarHBondContact O-CG1 3.36Å
50F92.5Very high92.8Very high12 Ų1237.5 Ų37.55%0.05319%0.19CC..SBendtrans-129.5152.3178.4-62.3-61000110L44 A54 F55 L68 A76 I80 V525L44-F50 HydrophobicContact CB-CD2 4.32Å; L44-F50 HydrophobicContact CD1-CE2 4.2Å; L44-F50 HydrophobicContact CD2-CE2 4.25Å; F50-A54 HydrophobicContact CB-CB 3.62Å; F50-A54 HydrophobicContact CG-CB 4.38Å; F50-F55 HydrophobicContact CB-CE2 3.82Å; F50-F55 HydrophobicContact CB-CZ 4.05Å; F50-F55 HydrophobicContact CD2-CZ 4.43Å; F50-L68 HydrophobicContact CD2-CD1 3.73Å; F50-L68 HydrophobicContact CE2-CD1 4.2Å; F50-A76 HydrophobicContact CE1-CB 3.6Å; F50-A76 HydrophobicContact CZ-CB 4.13Å; F50-I80 HydrophobicContact CE2-CG1 3.92Å; F50-I80 HydrophobicContact CZ-CG1 3.93Å; F50-V525 HydrophobicContact CE1-CG1 4.31Å; F50-V525 HydrophobicContact CE1-CG2 4.34Å
51P91.7Very high92.2Very high47 Ų4741.5 Ų41.531%0.30521%0.208SC..  trans-64.5161175.828.7-36.7000111.5S53 A54 F55 L74P51-S53 PolarHBondContact O-N 3.22Å; P51-S53 VanDerWaalsContact O-N 3.08Å; P51-A54 VanDerWaalsContact O-CB 3.23Å; P51-A54 WeakPolarHBondContact O-CB 3.24Å; P51-A54 PolarHBondContact O-N 2.87Å; P51-F55 WeakPolarHBondContact O-CD2 3.01Å; P51-F55 WeakPolarHBondContact O-CE2 2.97Å; P51-L74 HydrophobicContact CG-CD1 3.91Å
52E91.4Very high91.5Very high139 Ų13944.9 Ų44.965%0.6524%0.244SC*.G310 helixtrans-53.9-33178.1-63.9-167.4161.800112.9Y45 A54 F55Y45-E52 HydrophobicContact CE2-CG 4.36Å; E52-A54 PolarHBondContact O-N 2.9Å; E52-F55 PolarHBondContact O-N 2.94Å
53S92.2Very high91.1Very high77 Ų7745.6 Ų45.654%0.53825%0.248SC..G310 helixtrans-61.9-12.8176.764.50000114.1P51 F55 K69P51-S53 PolarHBondContact O-N 3.22Å; P51-S53 VanDerWaalsContact O-N 3.08Å; S53-F55 VanDerWaalsContact C-N 3.35Å; S53-K69 WeakPolarHBondContact O-CE 3.19Å; S53-K69 PolarHBondContact O-NZ 2.97Å
54A93.4Very high90.8Very high0 Ų049.8 Ų49.80%027%0.267CS..G310 helixtrans-85.8-0.9175.200000114F50 P51 E52 L68 K69 L74F50-A54 HydrophobicContact CB-CB 3.62Å; F50-A54 HydrophobicContact CG-CB 4.38Å; P51-A54 VanDerWaalsContact O-CB 3.23Å; P51-A54 WeakPolarHBondContact O-CB 3.24Å; P51-A54 PolarHBondContact O-N 2.87Å; E52-A54 PolarHBondContact O-N 2.9Å; A54-L68 HydrophobicContact CB-CD1 4.44Å; A54-K69 WeakPolarHBondContact O-CG 3.29Å; A54-K69 PolarHBondContact O-N 3.3Å; A54-L74 HydrophobicContact CB-CD1 3.62Å
55F94.9Very high90.6Very high10 Ų1049.7 Ų49.74%0.04427%0.267CS..EExtended strand (participates in β ladder)trans-124.9161.2-172.9-59-89.3000113.6S41 L44 Y45 F50 P51 E52 S53 K66 I67 L68S41-F55 WeakPolarHBondContact O-CE1 3.47Å; L44-F55 HydrophobicContact CB-CE1 4.26Å; L44-F55 HydrophobicContact CB-CZ 4.11Å; Y45-F55 HydrophobicContact CD2-CD2 4.06Å; Y45-F55 HydrophobicContact CD2-CE2 4.09Å; Y45-F55 HydrophobicContact CD2-CG 4.43Å; Y45-F55 HydrophobicContact CD2-CZ 4.49Å; F50-F55 HydrophobicContact CB-CE2 3.82Å; F50-F55 HydrophobicContact CB-CZ 4.05Å; F50-F55 HydrophobicContact CD2-CZ 4.43Å; P51-F55 WeakPolarHBondContact O-CD2 3.01Å; P51-F55 WeakPolarHBondContact O-CE2 2.97Å; E52-F55 PolarHBondContact O-N 2.94Å; S53-F55 VanDerWaalsContact C-N 3.35Å; F55-K66 HydrophobicContact CB-CB 3.93Å; F55-K66 HydrophobicContact CD1-CB 3.97Å; F55-K66 HydrophobicContact CG-CB 4.04Å; F55-I67 CarbonylContact C-O 3.55Å; F55-I67 VanDerWaalsContact CA-O 3.27Å; F55-I67 WeakPolarHBondContact CA-O 3.39Å; F55-L68 HydrophobicContact CD1-CB 4.34Å; F55-L68 HydrophobicContact CD1-CD1 4.12Å; F55-L68 HydrophobicContact CE1-CB 4.27Å; F55-L68 HydrophobicContact CE1-CD1 3.63Å; F55-L68 HydrophobicContact CZ-CD1 3.94Å
56H91.8Very high90.6Very high36 Ų3647.7 Ų47.717%0.16726%0.259CS..EExtended strand (participates in β ladder)trans-105.6139.5164.2-71-32.9000112.3K66 I67 K69 S299H56-K66 CarbonylContact O-C 3.57Å; H56-K66 WeakPolarHBondContact O-CA 3.35Å; H56-I67 HydrophobicContact CB-CB 4.32Å; H56-I67 PolarHBondContact N-O 2.92Å; H56-I67 PolarHBondContact O-N 3.27Å; H56-K69 VanDerWaalsContact CE1-CD 3.42Å; H56-K69 WeakPolarHBondContact CE1-CD 3.27Å; H56-K69 WeakPolarHBondContact NE2-CB 3.43Å; H56-S299 WeakPolarHBondContact CE1-CB 3.47Å; H56-S299 PolarHBondContact CE1-OG 3.2Å; H56-S299 PolarHBondContact ND1-OG 2.86Å; H56-S299 WeakPolarHBondContact NE2-CB 3.5Å; H56-S299 PolarHBondContact NE2-OG 3.26Å
57D91.2Very high90.6Very high108 Ų10847.1 Ų47.158%0.57826%0.258SS*.EExtended strand (participates in β ladder)trans-80.6122.1170.1-57.3-24.3000109.3K66D57-K66 WeakPolarHBondContact OD1-CD 3.3Å; D57-K66 WeakPolarHBondContact OD1-CE 3.36Å; D57-K66 IonicContact OD1-NZ 2.79Å; D57-K66 PolarHBondContact OD1-NZ 3.06Å; D57-K66 IonicContact OD2-NZ 3.7Å
58K90Very high90.7Very high69 Ų6947.3 Ų47.330%0.326%0.259SS..EExtended strand (participates in β ladder)trans-128.7161.1169.7-64.6-157.5179.8-163.70109.1M17 E64 L65 I67M17-K58 HydrophobicContact CE-CD 3.43Å; M17-K58 VanDerWaalsContact CE-CD 3.43Å; M17-K58 HydrophobicContact SD-CB 4.03Å; M17-K58 HydrophobicContact SD-CD 3.47Å; M17-K58 WeakPolarHBondContact SD-CD 3.45Å; M17-K58 HydrophobicContact SD-CG 4.36Å; K58-E64 CarbonylContact O-C 3.59Å; K58-L65 HydrophobicContact CB-CB 4.37Å; K58-L65 PolarHBondContact N-O 3.01Å; K58-L65 PolarHBondContact O-N 3.44Å; K58-I67 HydrophobicContact CB-CG1 4.29Å; K58-I67 HydrophobicContact CD-CG1 3.96Å; K58-I67 HydrophobicContact CG-CG1 4Å
59Q86.9Confident90.5Very high85 Ų8546 Ų4640%0.39725%0.25SS..EExtended strand (participates in β ladder)trans-122.5136.6179.6-74.3-71.2-16.400108.8N13 I63N13-Q59 WeakPolarHBondContact ND2-CB 3.24Å; N13-Q59 PolarHBondContact ND2-O 3.27Å; Q59-I63 WeakPolarHBondContact CA-O 3.12Å; Q59-I63 PolarHBondContact OE1-O 3.44Å
60L87.2Confident90.3Very high0 Ų049.4 Ų49.40%027%0.266CS..EExtended strand (participates in β ladder)trans-140.6109.2175.7178.870.5000109.5W14 M17 F18 G62 I63 L65 L166 L169W14-L60 HydrophobicContact CE3-CD1 3.86Å; W14-L60 HydrophobicContact CZ3-CD1 4.4Å; W14-L60 HydrophobicContact CZ3-CD2 4.49Å; M17-L60 HydrophobicContact CB-CD1 4.1Å; M17-L60 HydrophobicContact CG-CD1 4.29Å; F18-L60 HydrophobicContact CD2-CD1 4.2Å; F18-L60 HydrophobicContact CD2-CD2 4.14Å; F18-L60 HydrophobicContact CE2-CD1 4.45Å; F18-L60 HydrophobicContact CE2-CD2 3.61Å; L60-G62 PolarHBondContact O-N 3.34Å; L60-G62 VanDerWaalsContact O-N 3.1Å; L60-I63 PolarHBondContact N-O 2.99Å; L60-I63 WeakPolarHBondContact O-CB 3.13Å; L60-I63 PolarHBondContact O-N 3.11Å; L60-L65 HydrophobicContact CB-CD1 3.59Å; L60-L65 HydrophobicContact CB-CG 4.23Å; L60-L65 HydrophobicContact CD2-CD1 3.97Å; L60-L65 HydrophobicContact CG-CD1 4.44Å; L60-L166 HydrophobicContact CD2-CD2 4.24Å; L60-L166 HydrophobicContact CG-CD2 4.38Å; L60-L169 HydrophobicContact CD2-CD1 3.87Å
61E84.7Confident89.9Confident84 Ų8449.9 Ų49.939%0.39327%0.271SS..THydrogen-bonded Turntrans50.338.9175.6-58-63140.100113W14 L166W14-E61 HydrophobicContact CE3-CG 4.41Å; W14-E61 PolarHBondContact N-OE1 3.24Å; E61-L166 HydrophobicContact CB-CD1 4.3Å; E61-L166 HydrophobicContact CB-CD2 4.05Å; E61-L166 HydrophobicContact CG-CD2 4.44Å
62G81.2Confident89.5Confident74 Ų7452.7 Ų52.776%0.76329%0.292SS*.THydrogen-bonded Turntrans85.10.8-178.700000115.8L60L60-G62 PolarHBondContact O-N 3.34Å; L60-G62 VanDerWaalsContact O-N 3.1Å
63I86.2Confident89.3Confident19 Ų1953.7 Ų53.710%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-93.7124.9171.7-53.4178.2000109Y42 Q59 L60 L65 L166 K170Y42-I63 WeakPolarHBondContact OH-CG2 3.47Å; Q59-I63 WeakPolarHBondContact CA-O 3.12Å; Q59-I63 PolarHBondContact OE1-O 3.44Å; L60-I63 PolarHBondContact N-O 2.99Å; L60-I63 WeakPolarHBondContact O-CB 3.13Å; L60-I63 PolarHBondContact O-N 3.11Å; I63-L65 HydrophobicContact CB-CD2 4.45Å; I63-L65 HydrophobicContact CG2-CD2 3.72Å; I63-L65 HydrophobicContact CG2-CG 4.46Å; I63-L65 PolarHBondContact O-N 3.27Å; I63-L166 HydrophobicContact CD1-CD2 3.74Å; I63-K170 HydrophobicContact CD1-CG 4.28Å
64E89.8Confident89Confident93 Ų9352.2 Ų52.244%0.43528%0.284SS..EExtended strand (participates in β ladder)trans-77.8114.5168.8-169.5-178.8156.400109.8Y42 K58 K66Y42-E64 PolarHBondContact OH-O 3.12Å; K58-E64 CarbonylContact O-C 3.59Å; E64-K66 IonicContact OE1-NZ 2.7Å; E64-K66 PolarHBondContact OE1-NZ 3.46Å
65L91.2Very high88.8Confident1 Ų156.7 Ų56.71%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-101.4141.8180-59.6179000110.2V38 Y42 K58 L60 I63 I67 L169V38-L65 HydrophobicContact CG1-CD1 4.07Å; V38-L65 HydrophobicContact CG1-CD2 4.47Å; Y42-L65 HydrophobicContact CD1-CD2 4.48Å; Y42-L65 HydrophobicContact CD2-CD2 4.41Å; Y42-L65 HydrophobicContact CE1-CD2 4.04Å; Y42-L65 HydrophobicContact CE2-CD2 3.97Å; K58-L65 HydrophobicContact CB-CB 4.37Å; K58-L65 PolarHBondContact N-O 3.01Å; K58-L65 PolarHBondContact O-N 3.44Å; L60-L65 HydrophobicContact CB-CD1 3.59Å; L60-L65 HydrophobicContact CB-CG 4.23Å; L60-L65 HydrophobicContact CD2-CD1 3.97Å; L60-L65 HydrophobicContact CG-CD1 4.44Å; I63-L65 HydrophobicContact CB-CD2 4.45Å; I63-L65 HydrophobicContact CG2-CD2 3.72Å; I63-L65 HydrophobicContact CG2-CG 4.46Å; I63-L65 PolarHBondContact O-N 3.27Å; L65-I67 HydrophobicContact CB-CD1 4.24Å; L65-L169 HydrophobicContact CD2-CD1 4.06Å
66K93.1Very high88.5Confident15 Ų1557.3 Ų57.37%0.06532%0.32CS..EExtended strand (participates in β ladder)trans-108114.4171.8-59-63.1-159.6-166.40109.3S41 Y45 F55 H56 D57 E64S41-K66 VanDerWaalsContact CB-O 3.22Å; S41-K66 WeakPolarHBondContact CB-O 3.4Å; Y45-K66 HydrophobicContact CD1-CB 4.05Å; Y45-K66 HydrophobicContact CD1-CG 3.63Å; Y45-K66 HydrophobicContact CD2-CB 3.88Å; Y45-K66 HydrophobicContact CD2-CD 4.44Å; Y45-K66 HydrophobicContact CD2-CG 3.62Å; Y45-K66 HydrophobicContact CE1-CG 3.65Å; Y45-K66 HydrophobicContact CE2-CB 4.39Å; Y45-K66 HydrophobicContact CE2-CD 4.11Å; Y45-K66 HydrophobicContact CE2-CG 3.63Å; Y45-K66 HydrophobicContact CG-CB 3.67Å; Y45-K66 HydrophobicContact CG-CG 3.6Å; Y45-K66 WeakPolarHBondContact OH-CE 3.4Å; F55-K66 HydrophobicContact CB-CB 3.93Å; F55-K66 HydrophobicContact CD1-CB 3.97Å; F55-K66 HydrophobicContact CG-CB 4.04Å; H56-K66 CarbonylContact O-C 3.57Å; H56-K66 WeakPolarHBondContact O-CA 3.35Å; D57-K66 WeakPolarHBondContact OD1-CD 3.3Å; D57-K66 WeakPolarHBondContact OD1-CE 3.36Å; D57-K66 IonicContact OD1-NZ 2.79Å; D57-K66 PolarHBondContact OD1-NZ 3.06Å; D57-K66 IonicContact OD2-NZ 3.7Å; E64-K66 IonicContact OE1-NZ 2.7Å; E64-K66 PolarHBondContact OE1-NZ 3.46Å
67I94.1Very high88.5Confident29 Ų2955.6 Ų55.615%0.14931%0.312CS..EExtended strand (participates in β ladder)trans-106122.9-176.9-52.5-55.4000109.7V38 F55 H56 K58 L65 K69V38-I67 HydrophobicContact CB-CD1 4.28Å; V38-I67 HydrophobicContact CG1-CD1 4.15Å; V38-I67 HydrophobicContact CG2-CD1 3.82Å; F55-I67 CarbonylContact C-O 3.55Å; F55-I67 VanDerWaalsContact CA-O 3.27Å; F55-I67 WeakPolarHBondContact CA-O 3.39Å; H56-I67 HydrophobicContact CB-CB 4.32Å; H56-I67 PolarHBondContact N-O 2.92Å; H56-I67 PolarHBondContact O-N 3.27Å; K58-I67 HydrophobicContact CB-CG1 4.29Å; K58-I67 HydrophobicContact CD-CG1 3.96Å; K58-I67 HydrophobicContact CG-CG1 4Å; L65-I67 HydrophobicContact CB-CD1 4.24Å; I67-K69 PolarHBondContact O-N 2.86Å
68L94.3Very high88.5Confident14 Ų1451.3 Ų51.37%0.07329%0.29CS..EExtended strand (participates in β ladder)trans-62.2137-177.3-168.174.9000110.5S41 L44 F50 A54 F55 I80 V81S41-L68 VanDerWaalsContact CB-N 3.34Å; S41-L68 WeakPolarHBondContact OG-CB 3.44Å; S41-L68 PolarHBondContact OG-N 3.11Å; L44-L68 HydrophobicContact CD1-CD1 4.44Å; L44-L68 HydrophobicContact CD1-CD2 3.88Å; F50-L68 HydrophobicContact CD2-CD1 3.73Å; F50-L68 HydrophobicContact CE2-CD1 4.2Å; A54-L68 HydrophobicContact CB-CD1 4.44Å; F55-L68 HydrophobicContact CD1-CB 4.34Å; F55-L68 HydrophobicContact CD1-CD1 4.12Å; F55-L68 HydrophobicContact CE1-CB 4.27Å; F55-L68 HydrophobicContact CE1-CD1 3.63Å; F55-L68 HydrophobicContact CZ-CD1 3.94Å; L68-I80 HydrophobicContact CD2-CB 3.75Å; L68-I80 HydrophobicContact CD2-CG2 3.82Å; L68-V81 HydrophobicContact CD2-CG2 3.91Å; L68-V81 HydrophobicContact CG-CG2 4.23Å
69K90.2Very high88.6Confident48 Ų4852 Ų5221%0.20929%0.293CS..  trans-115152.7177.459.8150.7153.2-1630113.9S53 A54 H56 I67 S77S53-K69 WeakPolarHBondContact O-CE 3.19Å; S53-K69 PolarHBondContact O-NZ 2.97Å; A54-K69 WeakPolarHBondContact O-CG 3.29Å; A54-K69 PolarHBondContact O-N 3.3Å; H56-K69 VanDerWaalsContact CE1-CD 3.42Å; H56-K69 WeakPolarHBondContact CE1-CD 3.27Å; H56-K69 WeakPolarHBondContact NE2-CB 3.43Å; I67-K69 PolarHBondContact O-N 2.86Å; K69-S77 PolarHBondContact O-OG 3.18Å
70E88Confident88.9Confident77 Ų7748 Ų4836%0.3628%0.275SS..  trans-71.5128.8166.9-162.6151.8-163.300107.6K85E70-K85 IonicContact OE1-NZ 2.76Å; E70-K85 IonicContact OE2-NZ 3.22Å; E70-K85 PolarHBondContact OE2-NZ 2.99Å
71S84.4Confident89.2Confident22 Ų2249.2 Ų49.215%0.15428%0.282CS..  trans-143.1124.9-176.8176.20000109.3M73 L74 S78S71-M73 PolarHBondContact O-N 3.17Å; S71-M73 PolarHBondContact OG-N 3.33Å; S71-L74 CarbonylContact O-C 3.59Å; S71-L74 PolarHBondContact O-N 3.2Å; S71-L74 PolarHBondContact OG-N 2.93Å; S71-S78 PolarHBondContact N-OG 2.53Å; S71-S78 PolarHBondContact O-OG 3.18Å
72S83.3Confident89.6Confident107 Ų10750 Ų5075%0.74828%0.282SS*.THydrogen-bonded Turntrans-62.5-30173.2540000112L74S72-L74 VanDerWaalsContact C-N 3.34Å
73M87Confident90.2Very high159 Ų15946.4 Ų46.478%0.78325%0.246SC*.THydrogen-bonded Turntrans-76.5-21.6179.2-58.6-61.3165.900112.9S71S71-M73 PolarHBondContact O-N 3.17Å; S71-M73 PolarHBondContact OG-N 3.33Å
74L87Confident90.7Very high46 Ų4646 Ų4624%0.24124%0.243CC..  trans-126.378.8-179.4-63.1173.6000110.1P51 A54 S71 S72 A76 S77 S78P51-L74 HydrophobicContact CG-CD1 3.91Å; A54-L74 HydrophobicContact CB-CD1 3.62Å; S71-L74 CarbonylContact O-C 3.59Å; S71-L74 PolarHBondContact O-N 3.2Å; S71-L74 PolarHBondContact OG-N 2.93Å; S72-L74 VanDerWaalsContact C-N 3.34Å; L74-A76 PolarHBondContact O-N 3.44Å; L74-A76 VanDerWaalsContact O-N 3.07Å; L74-S77 PolarHBondContact O-N 3.16Å; L74-S77 PolarHBondContact O-OG 3.44Å; L74-S78 PolarHBondContact O-N 3.42Å; L74-S78 PolarHBondContact O-OG 3.36Å
75P89Confident90.9Very high95 Ų9545.3 Ų45.362%0.61724%0.239SC*.Hα-helixtrans-56-30.7-178.7-26.334.7000113.5S78 K79P75-S78 PolarHBondContact O-N 3.12Å; P75-K79 WeakPolarHBondContact O-CB 3.4Å; P75-K79 PolarHBondContact O-N 3.25Å
76A89.1Confident91Very high22 Ų2245.3 Ų45.318%0.18224%0.239CC..Hα-helixtrans-63.7-43.4177.500000112.5F50 L74 K79 I80 I523F50-A76 HydrophobicContact CE1-CB 3.6Å; F50-A76 HydrophobicContact CZ-CB 4.13Å; L74-A76 PolarHBondContact O-N 3.44Å; L74-A76 VanDerWaalsContact O-N 3.07Å; A76-K79 PolarHBondContact O-N 2.81Å; A76-I80 WeakPolarHBondContact O-CG1 3.42Å; A76-I80 PolarHBondContact O-N 2.97Å; A76-I523 HydrophobicContact CB-CG2 3.72Å
77S91.3Very high91.2Very high0 Ų044.6 Ų44.60%024%0.236CC..Hα-helixtrans-66.8-43.317770.30000111.1K69 L74 K79 I80 V81K69-S77 PolarHBondContact O-OG 3.18Å; L74-S77 PolarHBondContact O-N 3.16Å; L74-S77 PolarHBondContact O-OG 3.44Å; S77-K79 VanDerWaalsContact C-N 3.25Å; S77-K79 PolarHBondContact O-N 3.39Å; S77-I80 WeakPolarHBondContact O-CB 3.23Å; S77-I80 PolarHBondContact O-N 3.36Å; S77-I80 VanDerWaalsContact O-N 3.09Å; S77-V81 PolarHBondContact O-N 3.22Å
78S91.6Very high91.3Very high18 Ų1845.8 Ų45.813%0.12624%0.24CC..Hα-helixtrans-58.4-37.6175.8-590000112.1S71 L74 P75 V81 Y82S71-S78 PolarHBondContact N-OG 2.53Å; S71-S78 PolarHBondContact O-OG 3.18Å; L74-S78 PolarHBondContact O-N 3.42Å; L74-S78 PolarHBondContact O-OG 3.36Å; P75-S78 PolarHBondContact O-N 3.12Å; S78-V81 WeakPolarHBondContact O-CB 3.45Å; S78-V81 PolarHBondContact O-N 2.85Å; S78-Y82 PolarHBondContact O-N 3.42Å
79K90.8Very high91.4Very high84 Ų8447.1 Ų47.137%0.36525%0.247SC..Hα-helixtrans-67.1-37.8176-167.372171.7-169.40112.5P75 A76 S77 Y82 W83 I523P75-K79 WeakPolarHBondContact O-CB 3.4Å; P75-K79 PolarHBondContact O-N 3.25Å; A76-K79 PolarHBondContact O-N 2.81Å; S77-K79 VanDerWaalsContact C-N 3.25Å; S77-K79 PolarHBondContact O-N 3.39Å; K79-Y82 WeakPolarHBondContact O-CB 3.36Å; K79-Y82 PolarHBondContact O-N 2.99Å; K79-W83 HydrophobicContact CG-CZ2 4.07Å; K79-W83 VanDerWaalsContact O-CG 3.29Å; K79-W83 PolarHBondContact O-N 3.15Å; K79-I523 HydrophobicContact CB-CD1 3.52Å; K79-I523 HydrophobicContact CB-CG1 4.3Å; K79-I523 HydrophobicContact CG-CD1 3.42Å; K79-I523 VanDerWaalsContact CG-CD1 3.42Å; K79-I523 HydrophobicContact CG-CG1 3.85Å
80I93.4Very high91.6Very high2 Ų244.9 Ų44.91%0.0124%0.237CC..Hα-helixtrans-63.8-42.9171.7-54.8-54.3000110.9V40 L44 F50 L68 A76 S77 Y82 W83 L84 I188 I523V40-I80 HydrophobicContact CG1-CG2 4.4Å; L44-I80 HydrophobicContact CD1-CG2 3.93Å; F50-I80 HydrophobicContact CE2-CG1 3.92Å; F50-I80 HydrophobicContact CZ-CG1 3.93Å; L68-I80 HydrophobicContact CD2-CB 3.75Å; L68-I80 HydrophobicContact CD2-CG2 3.82Å; A76-I80 WeakPolarHBondContact O-CG1 3.42Å; A76-I80 PolarHBondContact O-N 2.97Å; S77-I80 WeakPolarHBondContact O-CB 3.23Å; S77-I80 PolarHBondContact O-N 3.36Å; S77-I80 VanDerWaalsContact O-N 3.09Å; I80-Y82 VanDerWaalsContact C-N 3.25Å; I80-Y82 PolarHBondContact O-N 3.44Å; I80-W83 HydrophobicContact CD1-CD2 4.15Å; I80-W83 HydrophobicContact CD1-CE3 3.29Å; I80-W83 HydrophobicContact CD1-CH2 3.82Å; I80-W83 HydrophobicContact CD1-CZ3 3.11Å; I80-W83 HydrophobicContact CG1-CE3 4.48Å; I80-W83 WeakPolarHBondContact O-CB 3.44Å; I80-W83 PolarHBondContact O-N 3.31Å; I80-L84 WeakPolarHBondContact O-CG 3.31Å; I80-L84 PolarHBondContact O-N 3.42Å; I80-I188 HydrophobicContact CD1-CD1 4.02Å; I80-I188 HydrophobicContact CD1-CG1 4.47Å; I80-I188 HydrophobicContact CD1-CG2 4.17Å; I80-I523 HydrophobicContact CD1-CD1 3.74Å; I80-I523 HydrophobicContact CG1-CD1 4.48Å
81V93.3Very high92Very high24 Ų2441.2 Ų41.215%0.14522%0.22CC..Hα-helixtrans-58.7-40.3175.1174.90000110.7L68 S77 S78 W83 L84 K85L68-V81 HydrophobicContact CD2-CG2 3.91Å; L68-V81 HydrophobicContact CG-CG2 4.23Å; S77-V81 PolarHBondContact O-N 3.22Å; S78-V81 WeakPolarHBondContact O-CB 3.45Å; S78-V81 PolarHBondContact O-N 2.85Å; V81-W83 PolarHBondContact O-N 3.13Å; V81-L84 WeakPolarHBondContact O-CB 3.44Å; V81-L84 PolarHBondContact O-N 3.06Å; V81-K85 PolarHBondContact O-N 3.48Å
82Y92.8Very high92.4Very high100 Ų10043.4 Ų43.439%0.39223%0.23SC..Hα-helixtrans-63.6-38.1174-173.8-121.4000113S78 K79 I80 K85 G86 P206 G207S78-Y82 PolarHBondContact O-N 3.42Å; K79-Y82 WeakPolarHBondContact O-CB 3.36Å; K79-Y82 PolarHBondContact O-N 2.99Å; I80-Y82 VanDerWaalsContact C-N 3.25Å; I80-Y82 PolarHBondContact O-N 3.44Å; Y82-K85 HydrophobicContact CD2-CD 4.4Å; Y82-K85 WeakPolarHBondContact O-CB 3.35Å; Y82-K85 PolarHBondContact O-N 2.92Å; Y82-G86 PolarHBondContact O-N 3Å; Y82-P206 HydrophobicContact CE2-CB 4.09Å; Y82-G207 PolarHBondContact OH-N 2.85Å
83W94.1Very high92.9Very high0 Ų044.4 Ų44.40%022%0.218CC..Hα-helixtrans-64-38.9171.9-58.3-21.1000112.5K79 I80 V81 K85 G86 C87 I188 M190 F208 N520 T521 I523K79-W83 HydrophobicContact CG-CZ2 4.07Å; K79-W83 VanDerWaalsContact O-CG 3.29Å; K79-W83 PolarHBondContact O-N 3.15Å; I80-W83 HydrophobicContact CD1-CD2 4.15Å; I80-W83 HydrophobicContact CD1-CE3 3.29Å; I80-W83 HydrophobicContact CD1-CH2 3.82Å; I80-W83 HydrophobicContact CD1-CZ3 3.11Å; I80-W83 HydrophobicContact CG1-CE3 4.48Å; I80-W83 WeakPolarHBondContact O-CB 3.44Å; I80-W83 PolarHBondContact O-N 3.31Å; V81-W83 PolarHBondContact O-N 3.13Å; W83-K85 VanDerWaalsContact C-N 3.31Å; W83-K85 PolarHBondContact O-N 2.96Å; W83-G86 PolarHBondContact O-N 3.36Å; W83-G86 VanDerWaalsContact O-N 3.14Å; W83-C87 PolarHBondContact O-N 3.31Å; W83-C87 PolarHBondContact O-SG 3.21Å; W83-I188 HydrophobicContact CH2-CG2 4.39Å; W83-I188 HydrophobicContact CZ3-CG1 4.43Å; W83-M190 HydrophobicContact CB-CE 4.32Å; W83-M190 HydrophobicContact CB-SD 4.24Å; W83-M190 HydrophobicContact CE3-CB 3.91Å; W83-M190 HydrophobicContact CE3-CE 4.36Å; W83-M190 HydrophobicContact CZ3-CB 4.23Å; W83-F208 HydrophobicContact CB-CE2 4.2Å; W83-F208 HydrophobicContact CB-CZ 3.89Å; W83-F208 HydrophobicContact CG-CZ 4.32Å; W83-F208 WeakPolarHBondContact O-CE2 3.37Å; W83-N520 HydrophobicContact CD2-CB 4.42Å; W83-N520 VanDerWaalsContact CE2-CG 3.45Å; W83-N520 WeakPolarHBondContact CH2-ND2 3.31Å; W83-N520 HydrophobicContact CZ2-CB 4.04Å; W83-N520 WeakPolarHBondContact CZ2-ND2 3.37Å; W83-N520 WeakPolarHBondContact CZ3-ND2 3.19Å; W83-N520 PolarHBondContact NE1-ND2 3.29Å; W83-T521 VanDerWaalsContact CZ2-O 3.3Å; W83-T521 WeakPolarHBondContact CZ2-O 3.43Å; W83-I523 HydrophobicContact CH2-CD1 3.25Å; W83-I523 HydrophobicContact CH2-CG1 3.64Å; W83-I523 HydrophobicContact CZ2-CD1 3.27Å; W83-I523 HydrophobicContact CZ2-CG1 3.54Å; W83-I523 HydrophobicContact CZ3-CD1 4Å
84L96.1Very high93.2Very high10 Ų1039.8 Ų39.85%0.05219%0.194CC..Hα-helixtrans-61.2-39.8174.4-68.4175.8000111.7F36 V40 I80 V81 G86 C87 F88F36-L84 HydrophobicContact CD1-CD2 4.04Å; F36-L84 HydrophobicContact CE1-CD2 3.5Å; F36-L84 VanDerWaalsContact CE1-CD2 3.5Å; F36-L84 HydrophobicContact CZ-CD2 4.15Å; V40-L84 HydrophobicContact CB-CD2 4.21Å; V40-L84 HydrophobicContact CG1-CD1 4.49Å; V40-L84 HydrophobicContact CG1-CD2 4.13Å; V40-L84 HydrophobicContact CG2-CD2 4.12Å; I80-L84 WeakPolarHBondContact O-CG 3.31Å; I80-L84 PolarHBondContact O-N 3.42Å; V81-L84 WeakPolarHBondContact O-CB 3.44Å; V81-L84 PolarHBondContact O-N 3.06Å; L84-G86 VanDerWaalsContact C-N 3.29Å; L84-G86 PolarHBondContact O-N 2.77Å; L84-C87 WeakPolarHBondContact O-CB 3.21Å; L84-C87 PolarHBondContact O-N 3.44Å; L84-F88 HydrophobicContact CB-CE2 4.29Å; L84-F88 HydrophobicContact CB-CZ 4.09Å; L84-F88 WeakPolarHBondContact O-CD1 3.41Å; L84-F88 WeakPolarHBondContact O-CD2 3.25Å; L84-F88 WeakPolarHBondContact O-CG 3.37Å; L84-F88 PolarHBondContact O-N 3.21Å
85K94.1Very high93.6Very high79 Ų7938.9 Ų38.934%0.34319%0.188SC..Hα-helixtrans-57.3-42.8173.3-67172.6-175.2166.20111E70 V81 Y82 W83 F88 D89E70-K85 IonicContact OE1-NZ 2.76Å; E70-K85 IonicContact OE2-NZ 3.22Å; E70-K85 PolarHBondContact OE2-NZ 2.99Å; V81-K85 PolarHBondContact O-N 3.48Å; Y82-K85 HydrophobicContact CD2-CD 4.4Å; Y82-K85 WeakPolarHBondContact O-CB 3.35Å; Y82-K85 PolarHBondContact O-N 2.92Å; W83-K85 VanDerWaalsContact C-N 3.31Å; W83-K85 PolarHBondContact O-N 2.96Å; K85-F88 PolarHBondContact O-N 3.34Å; K85-D89 PolarHBondContact O-N 2.9Å
86G94Very high93.9Very high0 Ų034.3 Ų34.30%016%0.159CC..Hα-helixtrans-63.5-41.7174.200000114.1Y82 W83 L84 F88 D89 A90 P205 P206Y82-G86 PolarHBondContact O-N 3Å; W83-G86 PolarHBondContact O-N 3.36Å; W83-G86 VanDerWaalsContact O-N 3.14Å; L84-G86 VanDerWaalsContact C-N 3.29Å; L84-G86 PolarHBondContact O-N 2.77Å; G86-F88 VanDerWaalsContact C-N 3.32Å; G86-F88 PolarHBondContact O-N 2.94Å; G86-D89 PolarHBondContact O-N 2.93Å; G86-A90 PolarHBondContact O-N 2.84Å; G86-P205 WeakPolarHBondContact O-CB 3.32Å; G86-P206 VanDerWaalsContact CA-O 3.26Å; G86-P206 WeakPolarHBondContact CA-O 3.45Å
87C96.6Very high94.1Very high0 Ų037.7 Ų37.70%017%0.169CC..Hα-helixtrans-62.3-39.3173.3-67.60000111.9F36 W83 L84 A90 I91 L96 L192F36-C87 HydrophobicContact CD1-CB 4.42Å; F36-C87 HydrophobicContact CE1-CB 3.57Å; F36-C87 HydrophobicContact CZ-CB 4.24Å; W83-C87 PolarHBondContact O-N 3.31Å; W83-C87 PolarHBondContact O-SG 3.21Å; L84-C87 WeakPolarHBondContact O-CB 3.21Å; L84-C87 PolarHBondContact O-N 3.44Å; C87-A90 PolarHBondContact O-N 2.62Å; C87-I91 WeakPolarHBondContact O-CG1 3.47Å; C87-I91 PolarHBondContact O-N 2.81Å; C87-L96 HydrophobicContact CB-CD2 4.3Å; C87-L192 VanDerWaalsContact SG-CD2 3.56Å
88F97.1Very high94.2Very high55 Ų5537.9 Ų37.924%0.24117%0.171CC..Hα-helixtrans-63.7-42.8178.6-61.6-24.4000112.5K33 F36 A37 L84 K85 G86 A90 I91 D92K33-F88 HydrophobicContact CB-CD1 3.97Å; K33-F88 HydrophobicContact CB-CE1 4.12Å; K33-F88 HydrophobicContact CD-CB 3.94Å; K33-F88 HydrophobicContact CD-CD1 4.04Å; K33-F88 HydrophobicContact CD-CG 4.13Å; K33-F88 HydrophobicContact CG-CD1 4Å; K33-F88 WeakPolarHBondContact O-CE1 3.45Å; F36-F88 HydrophobicContact CD1-CE1 4.12Å; A37-F88 HydrophobicContact CB-CE1 4.28Å; A37-F88 HydrophobicContact CB-CZ 3.82Å; L84-F88 HydrophobicContact CB-CE2 4.29Å; L84-F88 HydrophobicContact CB-CZ 4.09Å; L84-F88 WeakPolarHBondContact O-CD1 3.41Å; L84-F88 WeakPolarHBondContact O-CD2 3.25Å; L84-F88 WeakPolarHBondContact O-CG 3.37Å; L84-F88 PolarHBondContact O-N 3.21Å; K85-F88 PolarHBondContact O-N 3.34Å; G86-F88 VanDerWaalsContact C-N 3.32Å; G86-F88 PolarHBondContact O-N 2.94Å; F88-A90 VanDerWaalsContact C-N 3.29Å; F88-A90 PolarHBondContact O-N 3.48Å; F88-I91 HydrophobicContact CD1-CD1 4.46Å; F88-I91 PolarHBondContact O-N 3.1Å; F88-D92 WeakPolarHBondContact O-CB 3.21Å; F88-D92 PolarHBondContact O-N 2.93Å
89D95.4Very high94.4Very high42 Ų4237 Ų3723%0.22517%0.165CC..Hα-helixtrans-60-41.3174.2-176.665.9000111.1K85 G86 I91 D92 R93 Y203K85-D89 PolarHBondContact O-N 2.9Å; G86-D89 PolarHBondContact O-N 2.93Å; D89-I91 PolarHBondContact O-N 3.44Å; D89-D92 PolarHBondContact O-N 2.85Å; D89-R93 VanDerWaalsContact CG-NE 3.34Å; D89-R93 VanDerWaalsContact O-CG 3.32Å; D89-R93 WeakPolarHBondContact O-CG 3.45Å; D89-R93 PolarHBondContact O-N 3.3Å; D89-R93 IonicContact OD1-CZ 3.05Å; D89-R93 IonicContact OD1-NE 3.34Å; D89-R93 PolarHBondContact OD1-NE 3.17Å; D89-R93 IonicContact OD1-NH2 2.7Å; D89-R93 PolarHBondContact OD1-NH2 2.88Å; D89-R93 IonicContact OD2-CZ 2.75Å; D89-R93 IonicContact OD2-NE 3.52Å; D89-R93 PolarHBondContact OD2-NE 3.28Å; D89-R93 VanDerWaalsContact OD2-NE 3.14Å; D89-R93 IonicContact OD2-NH2 3.34Å; D89-Y203 VanDerWaalsContact OD2-CE2 3.27Å; D89-Y203 WeakPolarHBondContact OD2-CE2 3.43Å; D89-Y203 PolarHBondContact OD2-OH 3.41Å
90A94.9Very high94.5Very high0 Ų033.8 Ų33.80%015%0.152CC..Hα-helixtrans-68.6-32.2176.900000113.3G86 C87 F88 H94 F95 L96 Y194 Y203G86-A90 PolarHBondContact O-N 2.84Å; C87-A90 PolarHBondContact O-N 2.62Å; F88-A90 VanDerWaalsContact C-N 3.29Å; F88-A90 PolarHBondContact O-N 3.48Å; A90-H94 PolarHBondContact O-N 3.49Å; A90-F95 PolarHBondContact O-N 3.28Å; A90-L96 HydrophobicContact CB-CB 3.84Å; A90-L96 HydrophobicContact CB-CD1 4.38Å; A90-L96 PolarHBondContact O-N 2.94Å; A90-L96 VanDerWaalsContact O-N 3.12Å; A90-Y194 HydrophobicContact CB-CE1 4.02Å; A90-Y203 WeakPolarHBondContact CA-OH 3.35Å; A90-Y203 HydrophobicContact CB-CE1 4.26Å; A90-Y203 WeakPolarHBondContact CB-OH 3.48Å; A90-Y203 PolarHBondContact N-OH 3.41Å; A90-Y203 VanDerWaalsContact N-OH 3.08Å
91I96Very high94.6Very high0 Ų033.9 Ų33.90%015%0.152CC..Hα-helixtrans-71.8-44.3175.3-69.6166.3000110.4L29 K33 F36 C87 F88 D89 R93 H94 L96 L128L29-I91 HydrophobicContact CD1-CG2 3.64Å; L29-I91 HydrophobicContact CG-CG2 4.36Å; K33-I91 HydrophobicContact CD-CB 4.47Å; K33-I91 HydrophobicContact CD-CG2 4.21Å; K33-I91 HydrophobicContact CG-CB 4.19Å; K33-I91 HydrophobicContact CG-CD1 4.24Å; K33-I91 HydrophobicContact CG-CG2 3.66Å; F36-I91 HydrophobicContact CD1-CD1 4.35Å; C87-I91 WeakPolarHBondContact O-CG1 3.47Å; C87-I91 PolarHBondContact O-N 2.81Å; F88-I91 HydrophobicContact CD1-CD1 4.46Å; F88-I91 PolarHBondContact O-N 3.1Å; D89-I91 PolarHBondContact O-N 3.44Å; I91-R93 PolarHBondContact O-N 2.97Å; I91-H94 PolarHBondContact O-N 2.96Å; I91-L96 HydrophobicContact CD1-CD2 3.99Å; I91-L96 HydrophobicContact CG1-CB 4.12Å; I91-L96 HydrophobicContact CG1-CD2 3.65Å; I91-L128 HydrophobicContact CD1-CD2 3.78Å; I91-L128 HydrophobicContact CG1-CD2 3.65Å; I91-L128 HydrophobicContact CG2-CD2 4.48Å
92D94.3Very high94.5Very high68 Ų6832.8 Ų32.836%0.36415%0.146SC..Hα-helixtrans-62.5-28.5-179-74.8-27.1000112.6K33 F88 D89K33-D92 WeakPolarHBondContact CD-OD1 3.34Å; K33-D92 WeakPolarHBondContact CE-OD1 3.43Å; K33-D92 IonicContact NZ-OD1 2.7Å; K33-D92 PolarHBondContact NZ-OD1 3.26Å; K33-D92 IonicContact NZ-OD2 2.61Å; K33-D92 PolarHBondContact NZ-OD2 3.34Å; F88-D92 WeakPolarHBondContact O-CB 3.21Å; F88-D92 PolarHBondContact O-N 2.93Å; D89-D92 PolarHBondContact O-N 2.85Å
93R93.2Very high94.4Very high129 Ų12928.1 Ų28.149%0.48713%0.128SC..THydrogen-bonded Turntrans-90.90.6176-61.4171.3-168.9-81.7-5.8113.9D89 I91 F95D89-R93 VanDerWaalsContact CG-NE 3.34Å; D89-R93 VanDerWaalsContact O-CG 3.32Å; D89-R93 WeakPolarHBondContact O-CG 3.45Å; D89-R93 PolarHBondContact O-N 3.3Å; D89-R93 IonicContact OD1-CZ 3.05Å; D89-R93 IonicContact OD1-NE 3.34Å; D89-R93 PolarHBondContact OD1-NE 3.17Å; D89-R93 IonicContact OD1-NH2 2.7Å; D89-R93 PolarHBondContact OD1-NH2 2.88Å; D89-R93 IonicContact OD2-CZ 2.75Å; D89-R93 IonicContact OD2-NE 3.52Å; D89-R93 PolarHBondContact OD2-NE 3.28Å; D89-R93 VanDerWaalsContact OD2-NE 3.14Å; D89-R93 IonicContact OD2-NH2 3.34Å; I91-R93 PolarHBondContact O-N 2.97Å; R93-F95 HydrophobicContact CB-CD1 3.97Å; R93-F95 HydrophobicContact CB-CD2 3.56Å; R93-F95 HydrophobicContact CB-CE1 3.98Å; R93-F95 HydrophobicContact CB-CE2 3.59Å; R93-F95 HydrophobicContact CB-CG 3.76Å; R93-F95 HydrophobicContact CB-CZ 3.8Å; R93-F95 VanDerWaalsContact CD-CE2 3.49Å; R93-F95 HydrophobicContact CG-CD2 4.35Å; R93-F95 HydrophobicContact CG-CE2 4.11Å; R93-F95 HydrophobicContact CG-CZ 4.49Å; R93-F95 WeakPolarHBondContact O-CD1 3.25Å; R93-F95 VanDerWaalsContact O-CE1 3.3Å; R93-F95 WeakPolarHBondContact O-CE1 3.41Å; R93-F95 PolarHBondContact O-N 2.94Å
94H93.4Very high94.1Very high61 Ų6128.3 Ų28.328%0.28213%0.128SC..THydrogen-bonded Turntrans59.924.3-173.6-51.6-91.2000114.5E25 A90 I91 Y130 H235E25-H94 IonicContact OE1-CE1 3.41Å; A90-H94 PolarHBondContact O-N 3.49Å; I91-H94 PolarHBondContact O-N 2.96Å; H94-Y130 HydrophobicContact CB-CD1 4.05Å; H94-Y130 HydrophobicContact CB-CD2 4.07Å; H94-Y130 HydrophobicContact CB-CE1 4.19Å; H94-Y130 HydrophobicContact CB-CE2 4.19Å; H94-Y130 HydrophobicContact CB-CG 4.02Å; H94-Y130 AromaticContact CG-CD1 3.91Å; H94-Y130 AromaticContact ND1-CD1 3.07Å; H94-Y130 WeakPolarHBondContact ND1-CD1 3.27Å; H94-Y130 AromaticContact ND1-CE1 3.67Å; H94-Y130 AromaticContact ND1-CG 3.59Å; H94-Y130 WeakPolarHBondContact O-CE2 3.35Å; H94-H235 AromaticContact CE1-NE2 3.81Å
95F94.5Very high93.4Very high27 Ų2729 Ų2912%0.11813%0.134CC..  trans-85.9-35.9-178.5-64.4-15.7000112A90 R93 K97 Y194 Y195 V198 T199 P200 Y203A90-F95 PolarHBondContact O-N 3.28Å; R93-F95 HydrophobicContact CB-CD1 3.97Å; R93-F95 HydrophobicContact CB-CD2 3.56Å; R93-F95 HydrophobicContact CB-CE1 3.98Å; R93-F95 HydrophobicContact CB-CE2 3.59Å; R93-F95 HydrophobicContact CB-CG 3.76Å; R93-F95 HydrophobicContact CB-CZ 3.8Å; R93-F95 VanDerWaalsContact CD-CE2 3.49Å; R93-F95 HydrophobicContact CG-CD2 4.35Å; R93-F95 HydrophobicContact CG-CE2 4.11Å; R93-F95 HydrophobicContact CG-CZ 4.49Å; R93-F95 WeakPolarHBondContact O-CD1 3.25Å; R93-F95 VanDerWaalsContact O-CE1 3.3Å; R93-F95 WeakPolarHBondContact O-CE1 3.41Å; R93-F95 PolarHBondContact O-N 2.94Å; F95-K97 PolarHBondContact O-N 3.13Å; F95-Y194 HydrophobicContact CB-CD1 4.14Å; F95-Y194 CarbonylContact O-C 3.58Å; F95-Y194 WeakPolarHBondContact O-CA 3.3Å; F95-Y194 WeakPolarHBondContact O-CB 3.07Å; F95-Y195 PolarHBondContact O-N 3.28Å; F95-V198 HydrophobicContact CD1-CG2 4.03Å; F95-V198 VanDerWaalsContact CE1-O 3.25Å; F95-V198 WeakPolarHBondContact CE1-O 3.49Å; F95-T199 HydrophobicContact CB-CG2 4.1Å; F95-T199 WeakPolarHBondContact CB-OG1 3.39Å; F95-T199 HydrophobicContact CD2-CG2 3.96Å; F95-T199 HydrophobicContact CG-CG2 3.96Å; F95-P200 VanDerWaalsContact CZ-CD 3.44Å; F95-P200 HydrophobicContact CZ-CG 4.24Å; F95-Y203 AromaticContact CD2-CD1 3.85Å; F95-Y203 HydrophobicContact CD2-CD1 3.85Å; F95-Y203 AromaticContact CD2-CD2 3.98Å; F95-Y203 HydrophobicContact CD2-CD2 3.98Å; F95-Y203 AromaticContact CD2-CE1 3.82Å; F95-Y203 HydrophobicContact CD2-CE1 3.82Å; F95-Y203 AromaticContact CD2-CE2 3.95Å; F95-Y203 HydrophobicContact CD2-CE2 3.95Å; F95-Y203 AromaticContact CD2-CG 3.92Å; F95-Y203 HydrophobicContact CD2-CG 3.92Å; F95-Y203 AromaticContact CD2-CZ 3.86Å; F95-Y203 HydrophobicContact CE2-CD1 4.41Å; F95-Y203 AromaticContact CE2-CD2 3.84Å; F95-Y203 HydrophobicContact CE2-CD2 3.84Å; F95-Y203 HydrophobicContact CE2-CE2 4.08Å; F95-Y203 HydrophobicContact CE2-CG 4.01Å
96L94.9Very high92.3Very high0 Ų026.9 Ų26.90%013%0.131CC..EExtended strand (participates in β ladder)trans-70.6118.7-171.8-168.466.8000112.4C87 A90 I91 S98 A99 L128 Y130 L192 Y194C87-L96 HydrophobicContact CB-CD2 4.3Å; A90-L96 HydrophobicContact CB-CB 3.84Å; A90-L96 HydrophobicContact CB-CD1 4.38Å; A90-L96 PolarHBondContact O-N 2.94Å; A90-L96 VanDerWaalsContact O-N 3.12Å; I91-L96 HydrophobicContact CD1-CD2 3.99Å; I91-L96 HydrophobicContact CG1-CB 4.12Å; I91-L96 HydrophobicContact CG1-CD2 3.65Å; L96-S98 WeakPolarHBondContact CD1-O 3.36Å; L96-A99 HydrophobicContact CD2-CB 4.34Å; L96-L128 HydrophobicContact CD2-CD1 3.81Å; L96-L128 HydrophobicContact CD2-CD2 4.45Å; L96-L128 HydrophobicContact CG-CD1 4.15Å; L96-Y130 WeakPolarHBondContact O-CE2 3.29Å; L96-Y130 PolarHBondContact O-OH 3.39Å; L96-L192 HydrophobicContact CD1-CB 4.01Å; L96-L192 HydrophobicContact CD1-CD1 4.35Å; L96-L192 HydrophobicContact CD1-CD2 4.02Å; L96-L192 HydrophobicContact CD1-CG 4.34Å; L96-Y194 HydrophobicContact CD1-CD1 4.32Å; L96-Y194 HydrophobicContact CD1-CE1 4.08Å
97K93.5Very high90.9Very high93 Ų9333.7 Ų33.740%0.40417%0.167SC..EExtended strand (participates in β ladder)trans-93.6-43.4173.1178.8179.5178.7177.30111.6F95 R127 L128 Q193 Y195F95-K97 PolarHBondContact O-N 3.13Å; K97-R127 WeakPolarHBondContact O-CA 3.39Å; K97-L128 PolarHBondContact O-N 2.85Å; K97-Q193 WeakPolarHBondContact CA-O 3.43Å; K97-Q193 WeakPolarHBondContact CB-O 3.45Å; K97-Q193 PolarHBondContact N-O 3.31Å; K97-Y195 HydrophobicContact CB-CD1 4.43Å; K97-Y195 HydrophobicContact CB-CD2 3.82Å; K97-Y195 HydrophobicContact CB-CE1 4.37Å; K97-Y195 HydrophobicContact CB-CE2 3.73Å; K97-Y195 HydrophobicContact CB-CG 4.17Å; K97-Y195 HydrophobicContact CD-CD1 4.34Å; K97-Y195 HydrophobicContact CD-CE1 4.28Å; K97-Y195 HydrophobicContact CG-CD1 4.44Å; K97-Y195 HydrophobicContact CG-CE1 4.08Å; K97-Y195 HydrophobicContact CG-CE2 4.17Å
98S93.9Very high88.9Confident4 Ų438.2 Ų38.23%0.02819%0.187CC..EExtended strand (participates in β ladder)trans-152.5149.3174.252.30000112.8L96 F126 L192 Q193L96-S98 WeakPolarHBondContact CD1-O 3.36Å; S98-F126 CarbonylContact C-O 3.59Å; S98-F126 WeakPolarHBondContact CA-O 3.34Å; S98-F126 WeakPolarHBondContact CB-O 3.42Å; S98-L192 WeakPolarHBondContact O-CA 3.13Å; S98-Q193 PolarHBondContact N-O 3.08Å; S98-Q193 VanDerWaalsContact N-O 3.09Å; S98-Q193 PolarHBondContact O-N 3.19Å; S98-Q193 WeakPolarHBondContact OG-CB 3.13Å; S98-Q193 WeakPolarHBondContact OG-CG 3.17Å; S98-Q193 PolarHBondContact OG-OE1 2.86Å
99A95.6Very high86.8Confident0 Ų038.2 Ų38.20%019%0.19CC..EExtended strand (participates in β ladder)trans-122.5126.4167.700000108.8F36 L96 F126 L192F36-A99 HydrophobicContact CE2-CB 4Å; F36-A99 HydrophobicContact CZ-CB 3.78Å; L96-A99 HydrophobicContact CD2-CB 4.34Å; A99-F126 PolarHBondContact N-O 2.83Å; A99-F126 PolarHBondContact O-N 2.78Å; A99-L192 HydrophobicContact CB-CD2 3.65Å
100T93.4Very high84.4Confident16 Ų1644.4 Ų44.410%0.09822%0.222CC..EExtended strand (participates in β ladder)trans-120.2115.1-178.8-56.90000109.5Y124 C125 M190 K191 F216T100-Y124 CarbonylContact C-O 3.5Å; T100-Y124 WeakPolarHBondContact CA-O 3.45Å; T100-C125 HydrophobicContact CG2-CB 4.25Å; T100-C125 PolarHBondContact OG1-SG 3.38Å; T100-M190 CarbonylContact O-C 3.53Å; T100-M190 VanDerWaalsContact O-CA 3.29Å; T100-M190 WeakPolarHBondContact O-CA 3.34Å; T100-K191 PolarHBondContact N-O 3.29Å; T100-K191 PolarHBondContact O-N 3.4Å; T100-F216 HydrophobicContact CG2-CD2 4.16Å; T100-F216 HydrophobicContact CG2-CE2 3.93Å
101I94.6Very high82.2Confident4 Ų449.4 Ų49.42%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-83.9131.2167.2-61.1171.8000107.2V40 S123 Y124 F126 I188 T189 M190V40-I101 HydrophobicContact CB-CD1 4.31Å; V40-I101 HydrophobicContact CG1-CD1 3.62Å; V40-I101 HydrophobicContact CG2-CD1 3.89Å; I101-S123 CarbonylContact O-C 3.49Å; I101-S123 WeakPolarHBondContact O-CA 3.31Å; I101-Y124 PolarHBondContact N-O 2.84Å; I101-Y124 PolarHBondContact O-N 3.38Å; I101-F126 HydrophobicContact CD1-CE2 4.35Å; I101-I188 HydrophobicContact CG2-CD1 3.77Å; I101-I188 HydrophobicContact CG2-CG1 3.83Å; I101-T189 CarbonylContact C-O 3.36Å; I101-T189 WeakPolarHBondContact CA-O 3.38Å; I101-M190 HydrophobicContact CD1-CE 3.86Å; I101-M190 HydrophobicContact CG1-CE 3.57Å; I101-M190 HydrophobicContact CG1-CG 4.26Å
102A91.2Very high79.6Confident0 Ų055.5 Ų55.50%029%0.285CS..EExtended strand (participates in β ladder)trans-127.9139.2179.600000110.8I120 I188 T189 F216A102-I120 HydrophobicContact CB-CD1 3.65Å; A102-I120 HydrophobicContact CB-CG1 4.15Å; A102-I120 HydrophobicContact CB-CG2 4.11Å; A102-I188 WeakPolarHBondContact O-CA 3.05Å; A102-T189 HydrophobicContact CB-CG2 3.98Å; A102-T189 PolarHBondContact N-O 3.18Å; A102-T189 PolarHBondContact O-N 3.47Å; A102-F216 HydrophobicContact CB-CD2 3.99Å; A102-F216 HydrophobicContact CB-CE1 4.32Å; A102-F216 HydrophobicContact CB-CE2 3.54Å; A102-F216 HydrophobicContact CB-CZ 3.73Å
103L91.6Very high77.6Confident3 Ų356 Ų562%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-115129.7179.6-57176.7000108.8I49 I121 E122 Y124 L182 M187 I188I49-L103 HydrophobicContact CD1-CD1 4.01Å; I49-L103 HydrophobicContact CD1-CD2 4.25Å; L103-I121 PolarHBondContact O-N 3.31Å; L103-E122 HydrophobicContact CB-CB 4.49Å; L103-E122 HydrophobicContact CD1-CB 4.38Å; L103-E122 PolarHBondContact N-O 3Å; L103-E122 PolarHBondContact O-N 3.06Å; L103-Y124 HydrophobicContact CD1-CE2 4.15Å; L103-L182 HydrophobicContact CD1-CD1 3.61Å; L103-L182 HydrophobicContact CD1-CD2 4.41Å; L103-M187 WeakPolarHBondContact CA-O 3.22Å; L103-I188 HydrophobicContact CD2-CB 3.9Å; L103-I188 HydrophobicContact CD2-CD1 3.89Å; L103-I188 HydrophobicContact CD2-CG1 3.74Å
104Y87.3Confident75.5Confident3 Ų357.8 Ų57.81%0.01231%0.307CS..EExtended strand (participates in β ladder)trans-147164.9-179.863.2-82.7000111.1D109 Y118 N119 I120 L186 M187 T189 P522Y104-D109 WeakPolarHBondContact CE2-OD1 3.44Å; Y104-D109 WeakPolarHBondContact CE2-OD2 3.44Å; Y104-Y118 HydrophobicContact CD1-CD1 4.37Å; Y104-Y118 HydrophobicContact CD2-CD1 4.25Å; Y104-Y118 AromaticContact CE1-CD1 3.82Å; Y104-Y118 HydrophobicContact CE1-CD1 3.82Å; Y104-Y118 HydrophobicContact CE1-CE1 4.26Å; Y104-Y118 HydrophobicContact CE1-CG 4.42Å; Y104-Y118 AromaticContact CE2-CD1 3.68Å; Y104-Y118 HydrophobicContact CE2-CD1 3.68Å; Y104-Y118 HydrophobicContact CE2-CE1 4.19Å; Y104-Y118 AromaticContact CZ-CD1 3.42Å; Y104-Y118 VanDerWaalsContact CZ-CD1 3.42Å; Y104-Y118 AromaticContact CZ-CE1 3.68Å; Y104-Y118 WeakPolarHBondContact OH-CE1 3.33Å; Y104-N119 WeakPolarHBondContact CB-O 3.27Å; Y104-I120 HydrophobicContact CD1-CD1 4.07Å; Y104-I120 HydrophobicContact CG-CD1 4.34Å; Y104-L186 CarbonylContact O-C 3.46Å; Y104-L186 WeakPolarHBondContact O-CA 3.26Å; Y104-M187 HydrophobicContact CD1-CB 3.92Å; Y104-M187 HydrophobicContact CD2-CB 3.79Å; Y104-M187 HydrophobicContact CD2-CG 4.25Å; Y104-M187 HydrophobicContact CE1-CB 3.49Å; Y104-M187 VanDerWaalsContact CE1-CB 3.49Å; Y104-M187 HydrophobicContact CE2-CB 3.36Å; Y104-M187 HydrophobicContact CE2-CG 3.69Å; Y104-M187 HydrophobicContact CG-CB 4.05Å; Y104-M187 PolarHBondContact N-O 2.67Å; Y104-M187 PolarHBondContact O-N 3.39Å; Y104-T189 HydrophobicContact CD1-CG2 4.32Å; Y104-T189 HydrophobicContact CE1-CG2 3.79Å; Y104-P522 HydrophobicContact CE1-CB 4.47Å; Y104-P522 WeakPolarHBondContact OH-CB 3.42Å; Y104-P522 WeakPolarHBondContact OH-CG 3.13Å
105S82.6Confident73.6Confident25 Ų2560 Ų6018%0.17532%0.316CS..  trans-86.2137.8-179.8178.30000111.1D107S105-D107 VanDerWaalsContact C-N 3.3Å; S105-D107 PolarHBondContact O-N 3.47Å
106A70Confident72Confident34 Ų3460.7 Ų60.728%0.28132%0.324SS..G310 helixtrans-65.4-30.1179.300000113.3K108 D109 M187A106-K108 PolarHBondContact O-N 3.37Å; A106-D109 PolarHBondContact O-N 2.82Å; A106-M187 HydrophobicContact CB-CG 3.85Å; A106-M187 HydrophobicContact CB-SD 4.16Å
107D64.7Low70.6Confident143 Ų14366 Ų6677%0.76535%0.349SS*.G310 helixtrans-66.7-10.4-176.3-76.1-25.9000114S105S105-D107 VanDerWaalsContact C-N 3.3Å; S105-D107 PolarHBondContact O-N 3.47Å
108K54.6Low69.7Low95 Ų9562.2 Ų62.241%0.41333%0.332SS..G310 helixtrans-107.66.9-173.9-62.1-164.3175.7-168.90114.5A106 L110 E219A106-K108 PolarHBondContact O-N 3.37Å; K108-L110 PolarHBondContact O-N 3.08Å; K108-E219 WeakPolarHBondContact CD-OE1 3.26Å; K108-E219 WeakPolarHBondContact CE-OE1 3.3Å; K108-E219 IonicContact NZ-OE1 3.14Å; K108-E219 PolarHBondContact NZ-OE1 2.98Å; K108-E219 IonicContact NZ-OE2 3.95Å; K108-E219 PolarHBondContact NZ-OE2 3.47Å
109D53.2Low69.1Low56 Ų5664.7 Ų64.730%0.29935%0.345SS..  trans-78.276175.9-74.7-16.9000111Y104 A106 H111Y104-D109 WeakPolarHBondContact CE2-OD1 3.44Å; Y104-D109 WeakPolarHBondContact CE2-OD2 3.44Å; A106-D109 PolarHBondContact O-N 2.82Å; D109-H111 PolarHBondContact O-N 3.2Å
110L45.9Very low68.6Low171 Ų17164.8 Ų64.890%0.89535%0.346SS*.  trans-71.573.3159.6-77.4155.7000108.8K108K108-L110 PolarHBondContact O-N 3.08Å
111H47.5Very low68.4Low106 Ų10665.5 Ų65.549%0.49135%0.348SS..  trans-74.4136.2155.6-71.4-44.2000107.7D109D109-H111 PolarHBondContact O-N 3.2Å
112P42.6Very low68.2Low128 Ų12865.3 Ų65.383%0.83135%0.347SS*.  cis-146.5117.943.734.3-11.5000114.4
113S50.6Low68.2Low77 Ų7765.4 Ų65.454%0.53835%0.348SS..SBendtrans-136.4162.315779.90000109.4F115S113-F115 PolarHBondContact O-N 2.83Å; S113-F115 PolarHBondContact OG-O 3.47Å
114E50Low68.4Low168 Ų16865.5 Ų65.579%0.78535%0.348SS*.SBendtrans-56.2-5.5178.4-72.8179.6148.500114.3N213E114-N213 PolarHBondContact O-ND2 3.17Å; E114-N213 VanDerWaalsContact O-ND2 3.15Å
115F54Low68.7Low106 Ų10665.9 Ų65.947%0.46535%0.351SS..SBendtrans-109.6120.3177.4-59.7-87.7000109.6S113 E117 N213S113-F115 PolarHBondContact O-N 2.83Å; S113-F115 PolarHBondContact OG-O 3.47Å; F115-E117 HydrophobicContact CB-CG 4.3Å; F115-E117 PolarHBondContact O-N 3.15Å; F115-N213 HydrophobicContact CD1-CB 3.67Å; F115-N213 HydrophobicContact CE1-CB 4.13Å; F115-N213 HydrophobicContact CG-CB 4.39Å
116C60.4Low69.4Low42 Ų4264.8 Ų64.828%0.28434%0.343SS..EExtended strand (participates in β ladder)trans-89.491.7174.8-66.50000108.4Y118 N213 V214 S215C116-Y118 HydrophobicContact CB-CE2 3.98Å; C116-N213 PolarHBondContact N-O 2.86Å; C116-V214 HydrophobicContact CB-CG2 3.82Å; C116-V214 WeakPolarHBondContact O-CA 3.43Å; C116-S215 PolarHBondContact O-N 3.41Å; C116-S215 VanDerWaalsContact O-N 3.08Å
117E66Low70.6Confident113 Ų11368.2 Ų68.253%0.52835%0.349SS..EExtended strand (participates in β ladder)trans-96.5121176.9-49.3-144.6122.400110F115 S215 N217F115-E117 HydrophobicContact CB-CG 4.3Å; F115-E117 PolarHBondContact O-N 3.15Å; E117-S215 WeakPolarHBondContact CA-OG 3.42Å; E117-S215 WeakPolarHBondContact CB-OG 3.12Å; E117-S215 WeakPolarHBondContact CG-OG 3.39Å; E117-S215 PolarHBondContact OE1-OG 3.3Å; E117-N217 PolarHBondContact OE2-ND2 3.38Å
118Y74.3Confident72.1Confident13 Ų1361.6 Ų61.65%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-109.5129.6178-58.5-80.1000110.4Y104 C116 I120 V214 S215 F216 N217 P522Y104-Y118 HydrophobicContact CD1-CD1 4.37Å; Y104-Y118 HydrophobicContact CD2-CD1 4.25Å; Y104-Y118 AromaticContact CE1-CD1 3.82Å; Y104-Y118 HydrophobicContact CE1-CD1 3.82Å; Y104-Y118 HydrophobicContact CE1-CE1 4.26Å; Y104-Y118 HydrophobicContact CE1-CG 4.42Å; Y104-Y118 AromaticContact CE2-CD1 3.68Å; Y104-Y118 HydrophobicContact CE2-CD1 3.68Å; Y104-Y118 HydrophobicContact CE2-CE1 4.19Å; Y104-Y118 AromaticContact CZ-CD1 3.42Å; Y104-Y118 VanDerWaalsContact CZ-CD1 3.42Å; Y104-Y118 AromaticContact CZ-CE1 3.68Å; Y104-Y118 WeakPolarHBondContact OH-CE1 3.33Å; C116-Y118 HydrophobicContact CB-CE2 3.98Å; Y118-I120 PolarHBondContact O-N 3.39Å; Y118-V214 HydrophobicContact CD2-CG1 3.92Å; Y118-V214 HydrophobicContact CE2-CG1 3.78Å; Y118-V214 HydrophobicContact CE2-CG2 4.26Å; Y118-S215 PolarHBondContact N-O 2.9Å; Y118-F216 AromaticContact CD2-CD1 3.91Å; Y118-F216 HydrophobicContact CD2-CD1 3.91Å; Y118-F216 AromaticContact CD2-CE1 3.69Å; Y118-F216 HydrophobicContact CD2-CE1 3.69Å; Y118-F216 HydrophobicContact CE2-CE1 4.34Å; Y118-F216 HydrophobicContact CG-CD1 4.47Å; Y118-F216 HydrophobicContact CG-CE1 4.38Å; Y118-N217 PolarHBondContact O-N 2.88Å; Y118-N217 VanDerWaalsContact O-O 3.13Å; Y118-P522 HydrophobicContact CE1-CG 4.17Å
119N81.2Confident73.9Confident55 Ų5559.2 Ų59.229%0.29431%0.309SS..EExtended strand (participates in β ladder)trans-84.288.7175.6-74.1-31.8000110.5Y104 N217 E219Y104-N119 WeakPolarHBondContact CB-O 3.27Å; N119-N217 CarbonylContact C-O 3.59Å; N119-N217 WeakPolarHBondContact CA-O 3.44Å; N119-E219 HydrophobicContact CB-CG 3.82Å; N119-E219 PolarHBondContact ND2-OE1 3.45Å
120I85.4Confident75.7Confident3 Ų358.5 Ų58.52%0.01530%0.302CS..EExtended strand (participates in β ladder)trans-76.5129.9-172-54.5-46.3000111.3A102 Y104 Y118 E122 F216 N217 F218A102-I120 HydrophobicContact CB-CD1 3.65Å; A102-I120 HydrophobicContact CB-CG1 4.15Å; A102-I120 HydrophobicContact CB-CG2 4.11Å; Y104-I120 HydrophobicContact CD1-CD1 4.07Å; Y104-I120 HydrophobicContact CG-CD1 4.34Å; Y118-I120 PolarHBondContact O-N 3.39Å; I120-E122 WeakPolarHBondContact CG2-O 3.36Å; I120-F216 HydrophobicContact CD1-CD1 4Å; I120-F216 HydrophobicContact CD1-CE1 4.41Å; I120-F216 HydrophobicContact CD1-CG 4.22Å; I120-F216 HydrophobicContact CG1-CB 3.68Å; I120-F216 HydrophobicContact CG1-CD1 4.09Å; I120-F216 HydrophobicContact CG1-CD2 4.44Å; I120-F216 HydrophobicContact CG1-CG 3.84Å; I120-N217 PolarHBondContact N-O 2.87Å; I120-F218 HydrophobicContact CB-CD1 4.36Å; I120-F218 HydrophobicContact CB-CE1 4.09Å; I120-F218 HydrophobicContact CB-CE2 4.36Å; I120-F218 HydrophobicContact CB-CZ 4.08Å; I120-F218 HydrophobicContact CG2-CD1 4.46Å; I120-F218 HydrophobicContact CG2-CE1 3.73Å; I120-F218 HydrophobicContact CG2-CE2 4.38Å; I120-F218 HydrophobicContact CG2-CZ 3.68Å; I120-F218 WeakPolarHBondContact O-CD1 2.94Å
121I88.4Confident77.2Confident31 Ų3152.6 Ų52.616%0.15928%0.283CS..EExtended strand (participates in β ladder)trans-85.4-46.1172.5-63170.7000109.5L103 L182 P183 L186 S244 L247L103-I121 PolarHBondContact O-N 3.31Å; I121-L182 HydrophobicContact CG2-CD2 4.29Å; I121-P183 HydrophobicContact CD1-CG 4.05Å; I121-L186 HydrophobicContact CD1-CD2 3.84Å; I121-S244 PolarHBondContact O-N 3.42Å; I121-L247 HydrophobicContact CG2-CD1 3.54Å
122E90.3Very high77.8Confident0 Ų056.3 Ų56.30%030%0.3CS..EExtended strand (participates in β ladder)trans-150.3138.3-176.5-172.116080.600110.7R47 L103 I120 Y124 L182 I241 Q242 T243R47-E122 IonicContact CZ-OE1 3.1Å; R47-E122 IonicContact NE-OE1 3.32Å; R47-E122 PolarHBondContact NE-OE1 3.32Å; R47-E122 IonicContact NH2-OE1 2.92Å; R47-E122 PolarHBondContact NH2-OE1 3.46Å; R47-E122 IonicContact NH2-OE2 3.88Å; L103-E122 HydrophobicContact CB-CB 4.49Å; L103-E122 HydrophobicContact CD1-CB 4.38Å; L103-E122 PolarHBondContact N-O 3Å; L103-E122 PolarHBondContact O-N 3.06Å; I120-E122 WeakPolarHBondContact CG2-O 3.36Å; E122-Y124 HydrophobicContact CG-CE2 3.75Å; E122-Y124 PolarHBondContact OE1-OH 3.05Å; E122-L182 HydrophobicContact CB-CD2 4.4Å; E122-I241 HydrophobicContact CG-CG2 4.1Å; E122-Q242 CarbonylContact C-O 3.54Å; E122-Q242 WeakPolarHBondContact CA-O 3.44Å; E122-T243 WeakPolarHBondContact OE2-CB 3.39Å; E122-T243 PolarHBondContact OE2-OG1 2.98Å
123S92.3Very high77.7Confident2 Ų258 Ų581%0.01430%0.297CS..EExtended strand (participates in β ladder)trans-134145.7176.679.50000112.7I101 I241 Q242I101-S123 CarbonylContact O-C 3.49Å; I101-S123 WeakPolarHBondContact O-CA 3.31Å; S123-I241 CarbonylContact O-C 3.54Å; S123-I241 VanDerWaalsContact O-CA 3.29Å; S123-I241 WeakPolarHBondContact O-CA 3.21Å; S123-Q242 PolarHBondContact N-O 2.91Å; S123-Q242 PolarHBondContact O-N 3.39Å
124Y95.2Very high76.8Confident5 Ų564.2 Ų64.22%0.0231%0.314CS..EExtended strand (participates in β ladder)trans-120.8109.7179.4-62.9-89.9000108.7V43 R47 T100 I101 L103 E122 M239 I241V43-Y124 HydrophobicContact CB-CD1 4.36Å; V43-Y124 HydrophobicContact CB-CE1 4.43Å; V43-Y124 HydrophobicContact CG1-CD1 3.58Å; V43-Y124 HydrophobicContact CG1-CD2 3.74Å; V43-Y124 HydrophobicContact CG1-CE1 3.51Å; V43-Y124 HydrophobicContact CG1-CE2 3.66Å; V43-Y124 HydrophobicContact CG1-CG 3.71Å; V43-Y124 HydrophobicContact CG2-CD1 3.76Å; V43-Y124 HydrophobicContact CG2-CE1 4Å; V43-Y124 HydrophobicContact CG2-CG 4.41Å; R47-Y124 WeakPolarHBondContact CD-OH 3.33Å; R47-Y124 HydrophobicContact CG-CE2 4.44Å; R47-Y124 WeakPolarHBondContact CG-OH 3.33Å; R47-Y124 PolarHBondContact NE-OH 3.06Å; T100-Y124 CarbonylContact C-O 3.5Å; T100-Y124 WeakPolarHBondContact CA-O 3.45Å; I101-Y124 PolarHBondContact N-O 2.84Å; I101-Y124 PolarHBondContact O-N 3.38Å; L103-Y124 HydrophobicContact CD1-CE2 4.15Å; E122-Y124 HydrophobicContact CG-CE2 3.75Å; E122-Y124 PolarHBondContact OE1-OH 3.05Å; Y124-M239 HydrophobicContact CD1-CE 3.98Å; Y124-I241 HydrophobicContact CD1-CD1 4.17Å; Y124-I241 HydrophobicContact CD1-CG1 3.71Å; Y124-I241 HydrophobicContact CD1-CG2 4.46Å; Y124-I241 HydrophobicContact CE1-CB 4.46Å; Y124-I241 HydrophobicContact CE1-CD1 3.58Å; Y124-I241 HydrophobicContact CE1-CG1 3.61Å; Y124-I241 HydrophobicContact CE1-CG2 4.1Å
125C93.9Very high75.8Confident10 Ų1062 Ų627%0.06831%0.307CS..EExtended strand (participates in β ladder)trans-112.3121.8-173.8179.60000111.9T100 M239 H240T100-C125 HydrophobicContact CG2-CB 4.25Å; T100-C125 PolarHBondContact OG1-SG 3.38Å; C125-M239 WeakPolarHBondContact O-CA 3.37Å; C125-H240 WeakPolarHBondContact CB-CE1 3.3Å; C125-H240 PolarHBondContact N-O 3.31Å; C125-H240 PolarHBondContact O-N 3.35Å; C125-H240 VanDerWaalsContact O-N 3.09Å; C125-H240 PolarHBondContact O-ND1 3.36Å; C125-H240 PolarHBondContact SG-CE1 2.97Å
126F97.4Very high74.6Confident2 Ų262.2 Ų62.21%0.00932%0.322CS..EExtended strand (participates in β ladder)trans-104.1113.8175.8-57.3-94.5000108.3F36 A39 V40 S98 A99 I101 I237 K238 M239F36-F126 HydrophobicContact CD2-CB 3.9Å; F36-F126 AromaticContact CD2-CD1 3.75Å; F36-F126 HydrophobicContact CD2-CD1 3.75Å; F36-F126 HydrophobicContact CD2-CD2 4.21Å; F36-F126 HydrophobicContact CD2-CE1 4.3Å; F36-F126 AromaticContact CD2-CG 3.69Å; F36-F126 HydrophobicContact CD2-CG 3.69Å; F36-F126 HydrophobicContact CE2-CB 3.69Å; F36-F126 HydrophobicContact CE2-CD1 4.01Å; F36-F126 AromaticContact CE2-CD2 3.6Å; F36-F126 HydrophobicContact CE2-CD2 3.6Å; F36-F126 HydrophobicContact CE2-CE2 4.19Å; F36-F126 AromaticContact CE2-CG 3.49Å; F36-F126 HydrophobicContact CE2-CG 3.49Å; F36-F126 VanDerWaalsContact CE2-CG 3.49Å; A39-F126 HydrophobicContact CB-CE1 3.69Å; A39-F126 HydrophobicContact CB-CZ 4.33Å; V40-F126 HydrophobicContact CG2-CD2 4.46Å; V40-F126 HydrophobicContact CG2-CE1 4.37Å; V40-F126 HydrophobicContact CG2-CE2 3.71Å; V40-F126 HydrophobicContact CG2-CZ 3.65Å; S98-F126 CarbonylContact C-O 3.59Å; S98-F126 WeakPolarHBondContact CA-O 3.34Å; S98-F126 WeakPolarHBondContact CB-O 3.42Å; A99-F126 PolarHBondContact N-O 2.83Å; A99-F126 PolarHBondContact O-N 2.78Å; I101-F126 HydrophobicContact CD1-CE2 4.35Å; F126-I237 HydrophobicContact CD1-CD1 4.22Å; F126-K238 CarbonylContact C-O 3.57Å; F126-K238 WeakPolarHBondContact CA-O 3.5Å; F126-M239 HydrophobicContact CD1-CB 4.38Å; F126-M239 HydrophobicContact CD1-CG 4.02Å; F126-M239 HydrophobicContact CD1-SD 4.33Å; F126-M239 HydrophobicContact CE1-CE 3.9Å; F126-M239 HydrophobicContact CE1-CG 3.83Å; F126-M239 HydrophobicContact CE1-SD 3.6Å; F126-M239 VanDerWaalsContact CE1-SD 3.6Å; F126-M239 HydrophobicContact CZ-CE 3.73Å; F126-M239 HydrophobicContact CZ-CG 4.38Å; F126-M239 HydrophobicContact CZ-SD 4.09Å
127R93.9Very high73.1Confident107 Ų10766.7 Ų66.740%0.40434%0.342SS..EExtended strand (participates in β ladder)trans-103.2124.9175.6-66.1-174-69.5160.6-7.4109.7K97 I237 K238K97-R127 WeakPolarHBondContact O-CA 3.39Å; R127-I237 WeakPolarHBondContact O-CA 3.38Å; R127-K238 HydrophobicContact CB-CB 4.33Å; R127-K238 PolarHBondContact N-O 3.39Å; R127-K238 PolarHBondContact O-N 3.18Å
128L96.1Very high71.6Confident3 Ų367.5 Ų67.52%0.01635%0.35CS..EExtended strand (participates in β ladder)trans-101.5153.4178.4-66.488.9000109.8I32 I91 L96 K97 Y195 S236I32-L128 HydrophobicContact CG2-CD2 3.82Å; I91-L128 HydrophobicContact CD1-CD2 3.78Å; I91-L128 HydrophobicContact CG1-CD2 3.65Å; I91-L128 HydrophobicContact CG2-CD2 4.48Å; L96-L128 HydrophobicContact CD2-CD1 3.81Å; L96-L128 HydrophobicContact CD2-CD2 4.45Å; L96-L128 HydrophobicContact CG-CD1 4.15Å; K97-L128 PolarHBondContact O-N 2.85Å; L128-Y195 PolarHBondContact O-OH 3.02Å; L128-S236 CarbonylContact C-O 3.59Å; L128-S236 WeakPolarHBondContact CA-O 3.33Å
129S92.6Very high69.7Low45 Ų4574.1 Ų74.132%0.31539%0.386SS..EExtended strand (participates in β ladder)trans-145.4134.1169-530000109.5H235 S236S129-H235 CarbonylContact O-C 3.5Å; S129-H235 WeakPolarHBondContact O-CA 3.39Å; S129-S236 WeakPolarHBondContact CB-OG 3.49Å; S129-S236 PolarHBondContact N-O 2.93Å; S129-S236 PolarHBondContact O-N 3.05Å
130Y91.1Very high67.5Low42 Ų4279.5 Ų79.517%0.16541%0.406CS..EExtended strand (participates in β ladder)trans-99.2124.2177.7-47.8-84.5000108H94 L96 Q132 Y195 H235H94-Y130 HydrophobicContact CB-CD1 4.05Å; H94-Y130 HydrophobicContact CB-CD2 4.07Å; H94-Y130 HydrophobicContact CB-CE1 4.19Å; H94-Y130 HydrophobicContact CB-CE2 4.19Å; H94-Y130 HydrophobicContact CB-CG 4.02Å; H94-Y130 AromaticContact CG-CD1 3.91Å; H94-Y130 AromaticContact ND1-CD1 3.07Å; H94-Y130 WeakPolarHBondContact ND1-CD1 3.27Å; H94-Y130 AromaticContact ND1-CE1 3.67Å; H94-Y130 AromaticContact ND1-CG 3.59Å; H94-Y130 WeakPolarHBondContact O-CE2 3.35Å; L96-Y130 WeakPolarHBondContact O-CE2 3.29Å; L96-Y130 PolarHBondContact O-OH 3.39Å; Y130-Q132 PolarHBondContact O-N 2.94Å; Y130-Y195 HydrophobicContact CD2-CD2 4.16Å; Y130-Y195 AromaticContact CD2-CE2 3.68Å; Y130-Y195 HydrophobicContact CD2-CE2 3.68Å; Y130-Y195 AromaticContact CE2-CD2 3.92Å; Y130-Y195 HydrophobicContact CE2-CD2 3.92Å; Y130-Y195 AromaticContact CE2-CE2 3.54Å; Y130-Y195 HydrophobicContact CE2-CE2 3.54Å; Y130-H235 AromaticContact CD1-CD2 3.46Å; Y130-H235 VanDerWaalsContact CD1-CD2 3.46Å; Y130-H235 WeakPolarHBondContact CD1-CD2 3.44Å; Y130-H235 AromaticContact CD1-NE2 3.85Å
131G77.4Confident65.2Low47 Ų4786 Ų8649%0.48545%0.447SS..PPolyproline II helixtrans-67.1126.3177.800000109.4H234G131-H234 WeakPolarHBondContact CA-O 3.47Å; G131-H234 PolarHBondContact N-O 3.31Å
132Q60.4Low62.7Low184 Ų18492.4 Ų92.486%0.8648%0.476SS*.PPolyproline II helixtrans-71.6139.2171.9-69.9175.5-20.800109.2Y130 K134Y130-Q132 PolarHBondContact O-N 2.94Å; Q132-K134 PolarHBondContact O-N 2.83Å
133E40.7Very low60Low163 Ų16399 Ų9976%0.76251%0.511SS*.  trans-47.2106.9172.3-78.1-178.1147.700109.8L135E133-L135 PolarHBondContact O-N 3.44Å
134K31.6Very low57.6Low207 Ų207109 Ų10990%0.955%0.554SS**  trans-70.371.5161.1-86.3-172.7173.1-174.30108.4Q132Q132-K134 PolarHBondContact O-N 2.83Å
135L29.3Very low54.7Low122 Ų122120.1 Ų120.164%0.63960%0.596SS**  trans-120.158.9164.9-83.4164.9000109.2E133 L137E133-L135 PolarHBondContact O-N 3.44Å; L135-L137 HydrophobicContact CD2-CD1 4.05Å; L135-L137 PolarHBondContact O-N 3.38Å
136S27.9Very low51.9Low111 Ų111129.1 Ų129.178%0.77664%0.637SS**  trans-83.984155.960.60000108.4D138S136-D138 PolarHBondContact O-N 3.16Å; S136-D138 VanDerWaalsContact O-N 3.1Å
137L30.2Very low48.7Very low135 Ų135134 Ų13471%0.70767%0.671SS**  trans-75.280.9158.1-105.7110000107.4L135 L139L135-L137 HydrophobicContact CD2-CD1 4.05Å; L135-L137 PolarHBondContact O-N 3.38Å; L137-L139 HydrophobicContact CD2-CD1 3.94Å; L137-L139 HydrophobicContact CD2-CG 4.31Å; L137-L139 PolarHBondContact O-N 3.06Å
138D33.7Very low45.5Very low131 Ų131133.5 Ų133.570%0.70169%0.685SS**  trans-92.786.5164-149.22.8000107.8S136 K140S136-D138 PolarHBondContact O-N 3.16Å; S136-D138 VanDerWaalsContact O-N 3.1Å; D138-K140 PolarHBondContact O-N 3.12Å; D138-K140 VanDerWaalsContact O-N 3.1Å
139L34.4Very low42.3Very low152 Ų152139.8 Ų139.880%0.79672%0.723SS**  trans-77.980.3167.6-79.9165.5000108L137L137-L139 HydrophobicContact CD2-CD1 3.94Å; L137-L139 HydrophobicContact CD2-CG 4.31Å; L137-L139 PolarHBondContact O-N 3.06Å
140K36.1Very low39.3Very low167 Ų167145.5 Ų145.573%0.72675%0.75SS**  trans-134.7113.2163-71.3-171.9-177.5173.30111.5D138D138-K140 PolarHBondContact O-N 3.12Å; D138-K140 VanDerWaalsContact O-N 3.1Å
141T35.9Very low36.3Very low141 Ų141148.5 Ų148.587%0.86578%0.775SS**  trans100.8128.1144.5-43.90000117.1
142E35.3Very low34Very low164 Ų164155.4 Ų155.477%0.76680%0.795SS**  trans-72.1168.6-169-55.2-167136.700115.5
143N35.4Very low32.8Very low139 Ų139153 Ų15374%0.74379%0.787SS**  trans82.788.1153-61.3-37.5000118.2
144K40.6Very low33.3Very low211 Ų211149.1 Ų149.192%0.91778%0.778SS**  -177.8146.8101.8-100.3170.6179176.20111.6
145R34.6Very low34.3Very low239 Ų239144.7 Ų144.790%0.90276%0.763SS**  trans-62.8134.6-177.3-61166.6177.3169.7-2110.9
146E36Very low35.5Very low200 Ų200146.2 Ų146.294%0.93577%0.765SS**  trans-160.7143.5137.9-107.1163-144.400110.8
147S29.3Very low37.7Very low103 Ų103142.8 Ų142.872%0.7274%0.741SS**  trans-82.8152.4-162.5175.40000112.8
148S26.9Very low40.3Very low98 Ų98137.8 Ų137.869%0.68571%0.714SS**  trans55115.5150.151.40000116
149T29.8Very low42.8Very low135 Ų135135.8 Ų135.883%0.82870%0.703SS**  -164.4144.487.9-52.40000109.3C151T149-C151 PolarHBondContact O-N 3.28Å
150L28.7Very low45.4Very low165 Ų165133.4 Ų133.486%0.86469%0.688SS**  trans-41.1121.8168.9-73.8149.6000111E152L150-E152 PolarHBondContact O-N 3.01Å
151C27.7Very low48Very low104 Ų104125.5 Ų125.570%0.70365%0.653SS**  trans-83.5105.2-179.2-147.30000109.5T149 I153T149-C151 PolarHBondContact O-N 3.28Å; C151-I153 HydrophobicContact CB-CD1 3.7Å; C151-I153 HydrophobicContact CB-CG1 3.77Å; C151-I153 PolarHBondContact O-N 3.48Å; C151-I153 VanDerWaalsContact O-N 3.11Å; C151-I153 VanDerWaalsContact SG-CD1 3.51Å; C151-I153 WeakPolarHBondContact SG-CG1 3.37Å
152E29.7Very low50.7Low193 Ų193122.5 Ų122.590%0.90263%0.626SS**  trans-62.293.5164.5-64.8171.9165.700109L150L150-E152 PolarHBondContact O-N 3.01Å
153I35.6Very low53.4Low134 Ų134121.7 Ų121.769%0.68762%0.62SS**  trans-126.189.9-177.7-51.3172000109.3C151C151-I153 HydrophobicContact CB-CD1 3.7Å; C151-I153 HydrophobicContact CB-CG1 3.77Å; C151-I153 PolarHBondContact O-N 3.48Å; C151-I153 VanDerWaalsContact O-N 3.11Å; C151-I153 VanDerWaalsContact SG-CD1 3.51Å; C151-I153 WeakPolarHBondContact SG-CG1 3.37Å
154S50.4Low56.2Low81 Ų81116.4 Ų116.457%0.56660%0.595SS**SBendtrans-173.9-42.1153.316.20000113.7F156 S157S154-F156 PolarHBondContact O-N 3.1Å; S154-S157 PolarHBondContact O-OG 3.29Å
155D53.7Low58.8Low113 Ų113106.3 Ų106.360%0.60455%0.552SS**Hα-helixtrans-71.7-32.1-164.2-69.3-14.1000115.7S157 E158 I159D155-S157 VanDerWaalsContact C-N 3.31Å; D155-S157 PolarHBondContact O-N 3.46Å; D155-E158 PolarHBondContact O-N 3.38Å; D155-I159 PolarHBondContact O-N 2.7Å
156F53.2Low61.6Low155 Ų15597 Ų9768%0.6852%0.519SS*.Hα-helixtrans-63.8-37.1-172-166.8-102.3000112.3S154 E158 E160S154-F156 PolarHBondContact O-N 3.1Å; F156-E158 PolarHBondContact O-N 2.7Å; F156-E160 HydrophobicContact CD1-CG 4.36Å; F156-E160 HydrophobicContact CE1-CG 4.15Å; F156-E160 WeakPolarHBondContact CE1-OE1 3.31Å; F156-E160 HydrophobicContact CZ-CG 4.47Å; F156-E160 VanDerWaalsContact CZ-OE1 3.28Å; F156-E160 WeakPolarHBondContact CZ-OE1 3.26Å; F156-E160 WeakPolarHBondContact O-CG 3.39Å; F156-E160 PolarHBondContact O-N 3.38Å
157S74.2Confident64.4Low38 Ų3890.2 Ų90.227%0.26649%0.494SS..Hα-helixtrans-70.6-30.7-177.975.30000113.7S154 D155 A161S154-S157 PolarHBondContact O-OG 3.29Å; D155-S157 VanDerWaalsContact C-N 3.31Å; D155-S157 PolarHBondContact O-N 3.46Å; S157-A161 WeakPolarHBondContact O-CB 3.48Å; S157-A161 PolarHBondContact O-N 3.43Å
158E84.1Confident67.5Low30 Ų3085.5 Ų85.514%0.1446%0.461CS..Hα-helixtrans-78-41.8-176.6-56.4-168.9161.200111.4N20 E21 L22 D155 F156 E160 A161 R162N20-E158 VanDerWaalsContact O-OE2 3.06Å; E21-E158 VanDerWaalsContact CA-OE1 3.27Å; E21-E158 WeakPolarHBondContact CA-OE1 3.1Å; L22-E158 HydrophobicContact CB-CG 4.21Å; L22-E158 PolarHBondContact N-OE1 3.49Å; D155-E158 PolarHBondContact O-N 3.38Å; F156-E158 PolarHBondContact O-N 2.7Å; E158-E160 VanDerWaalsContact C-N 3.32Å; E158-E160 PolarHBondContact O-N 3.22Å; E158-A161 PolarHBondContact O-N 3.03Å; E158-R162 VanDerWaalsContact O-CG 3.32Å; E158-R162 WeakPolarHBondContact O-CG 3.46Å; E158-R162 PolarHBondContact O-N 2.79Å
159I86.4Confident70.8Confident89 Ų8980.8 Ų80.846%0.45643%0.428SS..Hα-helixtrans-62.7-42.3175.9-62.9171.6000110.1D155 R162 K163D155-I159 PolarHBondContact O-N 2.7Å; I159-R162 PolarHBondContact O-N 2.99Å; I159-K163 HydrophobicContact CG2-CD 4.3Å; I159-K163 WeakPolarHBondContact O-CG 3.26Å; I159-K163 PolarHBondContact O-N 3.18Å
160E89.4Confident73.8Confident103 Ų10380 Ų8048%0.48141%0.413SS..Hα-helixtrans-63-45.2174.6-73.8-172.1148.900112.1F156 E158 R162 K163 A164F156-E160 HydrophobicContact CD1-CG 4.36Å; F156-E160 HydrophobicContact CE1-CG 4.15Å; F156-E160 WeakPolarHBondContact CE1-OE1 3.31Å; F156-E160 HydrophobicContact CZ-CG 4.47Å; F156-E160 VanDerWaalsContact CZ-OE1 3.28Å; F156-E160 WeakPolarHBondContact CZ-OE1 3.26Å; F156-E160 WeakPolarHBondContact O-CG 3.39Å; F156-E160 PolarHBondContact O-N 3.38Å; E158-E160 VanDerWaalsContact C-N 3.32Å; E158-E160 PolarHBondContact O-N 3.22Å; E160-R162 VanDerWaalsContact C-N 3.33Å; E160-R162 PolarHBondContact O-N 3.44Å; E160-K163 PolarHBondContact O-N 2.86Å; E160-A164 VanDerWaalsContact O-CB 3.25Å; E160-A164 WeakPolarHBondContact O-CB 3.35Å; E160-A164 PolarHBondContact O-N 3.25Å
161A91.4Very high76.9Confident0 Ų074 Ų740%038%0.382CS..Hα-helixtrans-60.8-41.5176.800000112L22 S157 E158 A164 T165 V230L22-A161 HydrophobicContact CD1-CB 3.57Å; S157-A161 WeakPolarHBondContact O-CB 3.48Å; S157-A161 PolarHBondContact O-N 3.43Å; E158-A161 PolarHBondContact O-N 3.03Å; A161-A164 PolarHBondContact O-N 3.35Å; A161-T165 WeakPolarHBondContact O-CB 3.21Å; A161-T165 PolarHBondContact O-N 3Å; A161-T165 PolarHBondContact O-OG1 2.92Å; A161-V230 HydrophobicContact CB-CG1 4.49Å
162R92.6Very high80.1Confident78 Ų7869.3 Ų69.329%0.29435%0.35SS..Hα-helixtrans-61.1-51.1174.7-72.3-179.5-168.7-174.810.2111.7W14 E158 I159 E160 A164 T165 L166W14-R162 HydrophobicContact CD2-CG 3.97Å; W14-R162 HydrophobicContact CE3-CG 4.01Å; W14-R162 HydrophobicContact CH2-CB 4.06Å; W14-R162 HydrophobicContact CH2-CG 3.63Å; W14-R162 HydrophobicContact CZ2-CB 4.45Å; W14-R162 HydrophobicContact CZ2-CG 3.53Å; W14-R162 HydrophobicContact CZ3-CB 4.1Å; W14-R162 HydrophobicContact CZ3-CG 3.85Å; E158-R162 VanDerWaalsContact O-CG 3.32Å; E158-R162 WeakPolarHBondContact O-CG 3.46Å; E158-R162 PolarHBondContact O-N 2.79Å; I159-R162 PolarHBondContact O-N 2.99Å; E160-R162 VanDerWaalsContact C-N 3.33Å; E160-R162 PolarHBondContact O-N 3.44Å; R162-A164 PolarHBondContact O-N 2.94Å; R162-T165 WeakPolarHBondContact O-CB 3.28Å; R162-T165 PolarHBondContact O-N 2.71Å; R162-L166 WeakPolarHBondContact O-CG 3.27Å; R162-L166 PolarHBondContact O-N 3.41Å
163K91.8Very high83.1Confident147 Ų14763 Ų6364%0.63932%0.32SS*.Hα-helixtrans-59.5-45.1177.6-73.5177.4-179.8178.50111.8I159 E160 T165 L166 S167I159-K163 HydrophobicContact CG2-CD 4.3Å; I159-K163 WeakPolarHBondContact O-CG 3.26Å; I159-K163 PolarHBondContact O-N 3.18Å; E160-K163 PolarHBondContact O-N 2.86Å; K163-T165 VanDerWaalsContact C-N 3.31Å; K163-T165 PolarHBondContact O-N 3.39Å; K163-L166 PolarHBondContact O-N 3.08Å; K163-S167 WeakPolarHBondContact O-CB 3.41Å; K163-S167 PolarHBondContact O-N 3.19Å
164A93.9Very high85.8Confident28 Ų2858.3 Ų58.323%0.23130%0.298CS..Hα-helixtrans-63.6-36.8177.900000112.1E160 A161 R162 S167 L168 V230E160-A164 VanDerWaalsContact O-CB 3.25Å; E160-A164 WeakPolarHBondContact O-CB 3.35Å; E160-A164 PolarHBondContact O-N 3.25Å; A161-A164 PolarHBondContact O-N 3.35Å; R162-A164 PolarHBondContact O-N 2.94Å; A164-S167 PolarHBondContact O-N 2.86Å; A164-L168 WeakPolarHBondContact O-CB 3.44Å; A164-L168 PolarHBondContact O-N 3.45Å; A164-V230 HydrophobicContact CB-CB 4.45Å; A164-V230 HydrophobicContact CB-CG1 4.38Å; A164-V230 HydrophobicContact CB-CG2 4.03Å
165T95.1Very high87.7Confident0 Ų054.7 Ų54.70%027%0.273CS..Hα-helixtrans-64.5-50.5175.8-59.40000111.5W14 F18 F31 L35 A161 R162 K163 S167 L168 L169W14-T165 HydrophobicContact CH2-CG2 4Å; W14-T165 HydrophobicContact CZ3-CG2 4.31Å; F18-T165 HydrophobicContact CE2-CG2 3.98Å; F18-T165 HydrophobicContact CZ-CG2 4.28Å; F31-T165 WeakPolarHBondContact CZ-OG1 3.17Å; L35-T165 HydrophobicContact CD1-CG2 3.74Å; A161-T165 WeakPolarHBondContact O-CB 3.21Å; A161-T165 PolarHBondContact O-N 3Å; A161-T165 PolarHBondContact O-OG1 2.92Å; R162-T165 WeakPolarHBondContact O-CB 3.28Å; R162-T165 PolarHBondContact O-N 2.71Å; K163-T165 VanDerWaalsContact C-N 3.31Å; K163-T165 PolarHBondContact O-N 3.39Å; T165-S167 VanDerWaalsContact C-N 3.28Å; T165-S167 PolarHBondContact O-N 3.31Å; T165-L168 PolarHBondContact O-N 3.08Å; T165-L169 HydrophobicContact CG2-CD1 4.16Å; T165-L169 WeakPolarHBondContact O-CG 3.27Å; T165-L169 PolarHBondContact O-N 3.2Å
166L94.2Very high89.4Confident43 Ų4349.8 Ų49.823%0.22525%0.249CC..Hα-helixtrans-62.2-38.9177.4-63.8175.3000111.2L60 E61 I63 R162 K163 L169 K170L60-L166 HydrophobicContact CD2-CD2 4.24Å; L60-L166 HydrophobicContact CG-CD2 4.38Å; E61-L166 HydrophobicContact CB-CD1 4.3Å; E61-L166 HydrophobicContact CB-CD2 4.05Å; E61-L166 HydrophobicContact CG-CD2 4.44Å; I63-L166 HydrophobicContact CD1-CD2 3.74Å; R162-L166 WeakPolarHBondContact O-CG 3.27Å; R162-L166 PolarHBondContact O-N 3.41Å; K163-L166 PolarHBondContact O-N 3.08Å; L166-L169 PolarHBondContact O-N 3.2Å; L166-K170 WeakPolarHBondContact O-CB 3.32Å; L166-K170 VanDerWaalsContact O-CG 3.31Å; L166-K170 WeakPolarHBondContact O-CG 3.45Å; L166-K170 PolarHBondContact O-N 2.66Å
167S93.6Very high91Very high58 Ų5848 Ų4841%0.40624%0.243SC..Hα-helixtrans-63-43.2174.3-174.50000112.2K163 A164 T165 N171K163-S167 WeakPolarHBondContact O-CB 3.41Å; K163-S167 PolarHBondContact O-N 3.19Å; A164-S167 PolarHBondContact O-N 2.86Å; T165-S167 VanDerWaalsContact C-N 3.28Å; T165-S167 PolarHBondContact O-N 3.31Å; S167-N171 WeakPolarHBondContact O-CB 3.17Å; S167-N171 PolarHBondContact O-N 2.73Å; S167-N171 PolarHBondContact O-ND2 3.15Å; S167-N171 PolarHBondContact O-OD1 2.82Å
168L95.9Very high91.6Very high3 Ų349.8 Ų49.82%0.01624%0.244CC..Hα-helixtrans-61.2-48.1177.8173.862.4000111.1L35 A164 T165 K170 N171 I172 L227 V230 M239L35-L168 HydrophobicContact CD1-CD2 4.36Å; L35-L168 HydrophobicContact CD2-CD2 4.49Å; A164-L168 WeakPolarHBondContact O-CB 3.44Å; A164-L168 PolarHBondContact O-N 3.45Å; T165-L168 PolarHBondContact O-N 3.08Å; L168-K170 PolarHBondContact O-N 3.34Å; L168-N171 PolarHBondContact O-N 3.44Å; L168-I172 HydrophobicContact CD1-CD1 4.35Å; L168-I172 HydrophobicContact CD1-CG1 4.43Å; L168-I172 HydrophobicContact CG-CD1 4.21Å; L168-I172 WeakPolarHBondContact O-CG1 3.35Å; L168-I172 PolarHBondContact O-N 3.46Å; L168-L227 HydrophobicContact CD1-CB 3.98Å; L168-V230 HydrophobicContact CB-CG2 4.31Å; L168-V230 HydrophobicContact CD2-CG2 3.99Å; L168-M239 HydrophobicContact CD1-CB 3.84Å; L168-M239 HydrophobicContact CD1-CG 4.48Å; L168-M239 HydrophobicContact CD1-SD 3.9Å
169L95.1Very high91.8Very high0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans-63.3-42.3-179.4-64.6172.8000111.9V38 Y42 L60 L65 T165 L166 N171 I172 Q173V38-L169 HydrophobicContact CG1-CD2 3.8Å; Y42-L169 HydrophobicContact CD1-CB 4.36Å; Y42-L169 HydrophobicContact CD1-CD2 3.98Å; Y42-L169 HydrophobicContact CE1-CB 4.08Å; Y42-L169 HydrophobicContact CE1-CD2 4.44Å; Y42-L169 WeakPolarHBondContact CE1-O 3.49Å; L60-L169 HydrophobicContact CD2-CD1 3.87Å; L65-L169 HydrophobicContact CD2-CD1 4.06Å; T165-L169 HydrophobicContact CG2-CD1 4.16Å; T165-L169 WeakPolarHBondContact O-CG 3.27Å; T165-L169 PolarHBondContact O-N 3.2Å; L166-L169 PolarHBondContact O-N 3.2Å; L169-N171 VanDerWaalsContact C-N 3.33Å; L169-N171 PolarHBondContact O-N 3.16Å; L169-I172 HydrophobicContact CD2-CD1 4.38Å; L169-I172 PolarHBondContact O-N 2.99Å; L169-Q173 PolarHBondContact O-N 3.14Å; L169-Q173 VanDerWaalsContact O-N 3.11Å
170K93.7Very high91.8Very high118 Ų11846.4 Ų46.451%0.51323%0.231SC..Hα-helixtrans-61.3-41.5172.9-73.2179179.8-1730112I63 L166 L168 I172 Q173 T174I63-K170 HydrophobicContact CD1-CG 4.28Å; L166-K170 WeakPolarHBondContact O-CB 3.32Å; L166-K170 VanDerWaalsContact O-CG 3.31Å; L166-K170 WeakPolarHBondContact O-CG 3.45Å; L166-K170 PolarHBondContact O-N 2.66Å; L168-K170 PolarHBondContact O-N 3.34Å; K170-I172 VanDerWaalsContact C-N 3.34Å; K170-I172 PolarHBondContact O-N 2.79Å; K170-Q173 WeakPolarHBondContact O-CB 3.14Å; K170-Q173 PolarHBondContact O-N 3.28Å; K170-T174 PolarHBondContact O-N 2.79Å; K170-T174 PolarHBondContact O-OG1 2.92Å; K170-T174 VanDerWaalsContact O-OG1 3.11Å
171N93.8Very high91.6Very high39 Ų3950.2 Ų50.221%0.20925%0.246CC..Hα-helixtrans-67-34.7178.4-70.7-14.5000112.4S167 L168 L169 A175 L227 L269S167-N171 WeakPolarHBondContact O-CB 3.17Å; S167-N171 PolarHBondContact O-N 2.73Å; S167-N171 PolarHBondContact O-ND2 3.15Å; S167-N171 PolarHBondContact O-OD1 2.82Å; L168-N171 PolarHBondContact O-N 3.44Å; L169-N171 VanDerWaalsContact C-N 3.33Å; L169-N171 PolarHBondContact O-N 3.16Å; N171-A175 VanDerWaalsContact O-CB 3.25Å; N171-A175 WeakPolarHBondContact O-CB 3.11Å; N171-A175 PolarHBondContact O-N 2.89Å; N171-L227 HydrophobicContact CB-CB 4.41Å; N171-L227 HydrophobicContact CB-CD2 4.36Å; N171-L227 WeakPolarHBondContact CB-O 3.38Å; N171-L227 PolarHBondContact ND2-O 3.07Å; N171-L269 HydrophobicContact CB-CD2 4.11Å
172I94.6Very high91.5Very high6 Ų650.6 Ų50.63%0.03125%0.248CC..Hα-helixtrans-61.7-48.9172.3-67.2166.1000110.2A39 Y42 V43 F46 L168 L169 K170 A175 G176 L227 M239A39-I172 HydrophobicContact CB-CD1 3.84Å; Y42-I172 HydrophobicContact CD1-CB 4.31Å; Y42-I172 HydrophobicContact CD1-CG2 4.11Å; V43-I172 HydrophobicContact CG2-CG2 3.87Å; F46-I172 HydrophobicContact CD2-CG2 4.41Å; L168-I172 HydrophobicContact CD1-CD1 4.35Å; L168-I172 HydrophobicContact CD1-CG1 4.43Å; L168-I172 HydrophobicContact CG-CD1 4.21Å; L168-I172 WeakPolarHBondContact O-CG1 3.35Å; L168-I172 PolarHBondContact O-N 3.46Å; L169-I172 HydrophobicContact CD2-CD1 4.38Å; L169-I172 PolarHBondContact O-N 2.99Å; K170-I172 VanDerWaalsContact C-N 3.34Å; K170-I172 PolarHBondContact O-N 2.79Å; I172-A175 PolarHBondContact O-N 3.32Å; I172-G176 PolarHBondContact O-N 3.12Å; I172-L227 HydrophobicContact CG1-CD1 3.9Å; I172-M239 HydrophobicContact CD1-CE 4.05Å; I172-M239 HydrophobicContact CD1-SD 3.61Å; I172-M239 HydrophobicContact CG1-CE 3.91Å; I172-M239 HydrophobicContact CG1-SD 3.74Å
173Q92.7Very high91.1Very high60 Ų6049.5 Ų49.528%0.2825%0.251SS..Hα-helixtrans-57.4-53.9176.7171.9173.32.700111.6F46 L169 K170 A175 G176 E177F46-Q173 HydrophobicContact CD1-CG 4.48Å; F46-Q173 HydrophobicContact CD2-CB 4.21Å; F46-Q173 HydrophobicContact CE1-CB 4.23Å; F46-Q173 HydrophobicContact CE1-CG 3.72Å; F46-Q173 HydrophobicContact CE2-CB 3.53Å; F46-Q173 HydrophobicContact CE2-CG 3.93Å; F46-Q173 HydrophobicContact CZ-CB 3.57Å; F46-Q173 HydrophobicContact CZ-CG 3.4Å; F46-Q173 VanDerWaalsContact CZ-CG 3.4Å; L169-Q173 PolarHBondContact O-N 3.14Å; L169-Q173 VanDerWaalsContact O-N 3.11Å; K170-Q173 WeakPolarHBondContact O-CB 3.14Å; K170-Q173 PolarHBondContact O-N 3.28Å; Q173-A175 VanDerWaalsContact C-N 3.26Å; Q173-A175 PolarHBondContact O-N 3.14Å; Q173-G176 PolarHBondContact O-N 2.75Å; Q173-G176 VanDerWaalsContact O-N 3.08Å; Q173-E177 VanDerWaalsContact CG-OE1 3.24Å; Q173-E177 WeakPolarHBondContact CG-OE1 2.94Å; Q173-E177 PolarHBondContact NE2-OE1 3.1Å; Q173-E177 WeakPolarHBondContact O-CG 3.47Å; Q173-E177 PolarHBondContact O-N 2.7Å
174T91.5Very high90.6Very high35 Ų3546.4 Ų46.422%0.21525%0.248CC..Hα-helixtrans-60.4-36.1179.9-58.60000112.4K170 R178 L269K170-T174 PolarHBondContact O-N 2.79Å; K170-T174 PolarHBondContact O-OG1 2.92Å; K170-T174 VanDerWaalsContact O-OG1 3.11Å; T174-R178 HydrophobicContact CG2-CG 4.49Å; T174-R178 VanDerWaalsContact CG2-CZ 3.46Å; T174-R178 WeakPolarHBondContact O-CB 3.06Å; T174-R178 VanDerWaalsContact O-CG 3.26Å; T174-R178 WeakPolarHBondContact O-CG 3.33Å; T174-R178 PolarHBondContact O-N 3.5Å; T174-L269 HydrophobicContact CG2-CD2 3.88Å
175A89.8Confident90.2Very high5 Ų550.4 Ų50.44%0.04126%0.261CS..Hα-helixtrans-66.6-45.7174.400000111.2N171 I172 Q173 E177 R178 L179 L227 I241N171-A175 VanDerWaalsContact O-CB 3.25Å; N171-A175 WeakPolarHBondContact O-CB 3.11Å; N171-A175 PolarHBondContact O-N 2.89Å; I172-A175 PolarHBondContact O-N 3.32Å; Q173-A175 VanDerWaalsContact C-N 3.26Å; Q173-A175 PolarHBondContact O-N 3.14Å; A175-E177 VanDerWaalsContact C-N 3.29Å; A175-E177 PolarHBondContact O-N 3.45Å; A175-R178 PolarHBondContact O-N 2.95Å; A175-L179 HydrophobicContact CB-CD1 4.46Å; A175-L179 WeakPolarHBondContact O-CB 3.46Å; A175-L179 WeakPolarHBondContact O-CD1 3.09Å; A175-L179 WeakPolarHBondContact O-CG 3.23Å; A175-L179 PolarHBondContact O-N 2.93Å; A175-L227 HydrophobicContact CB-CD2 3.8Å; A175-I241 HydrophobicContact CB-CD1 3.67Å
176G89.7Confident89.8Confident11 Ų1150.5 Ų50.511%0.11326%0.262CS..Hα-helixtrans-58.6-38.5176.900000113.7I172 Q173I172-G176 PolarHBondContact O-N 3.12Å; Q173-G176 PolarHBondContact O-N 2.75Å; Q173-G176 VanDerWaalsContact O-N 3.08Å
177E87.7Confident89.5Confident118 Ų11849.7 Ų49.755%0.55126%0.257SS*.Hα-helixtrans-72.8-28177.9-69.1167.8-179.200113.7Q173 A175Q173-E177 VanDerWaalsContact CG-OE1 3.24Å; Q173-E177 WeakPolarHBondContact CG-OE1 2.94Å; Q173-E177 PolarHBondContact NE2-OE1 3.1Å; Q173-E177 WeakPolarHBondContact O-CG 3.47Å; Q173-E177 PolarHBondContact O-N 2.7Å; A175-E177 VanDerWaalsContact C-N 3.29Å; A175-E177 PolarHBondContact O-N 3.45Å
178R86.8Confident89.4Confident74 Ų7447 Ų4728%0.27924%0.238SC..Hα-helixtrans-95.6-16.8-177.8-70.7179178.9172.40114.1T174 A175 S249 N273T174-R178 HydrophobicContact CG2-CG 4.49Å; T174-R178 VanDerWaalsContact CG2-CZ 3.46Å; T174-R178 WeakPolarHBondContact O-CB 3.06Å; T174-R178 VanDerWaalsContact O-CG 3.26Å; T174-R178 WeakPolarHBondContact O-CG 3.33Å; T174-R178 PolarHBondContact O-N 3.5Å; A175-R178 PolarHBondContact O-N 2.95Å; R178-S249 PolarHBondContact O-N 3.27Å; R178-S249 VanDerWaalsContact O-N 3.09Å; R178-S249 PolarHBondContact O-OG 2.94Å; R178-N273 PolarHBondContact NH1-OD1 3.28Å; R178-N273 PolarHBondContact NH2-OD1 3.02Å
179L87.6Confident89.1Confident9 Ų946.8 Ų46.85%0.04724%0.238CC..BIsolated β-bridgetrans-83.5130.2174.7-67.8167.6000108.6R47 A175 I241 T243 L247 L248R47-L179 PolarHBondContact NH1-O 3.47Å; A175-L179 HydrophobicContact CB-CD1 4.46Å; A175-L179 WeakPolarHBondContact O-CB 3.46Å; A175-L179 WeakPolarHBondContact O-CD1 3.09Å; A175-L179 WeakPolarHBondContact O-CG 3.23Å; A175-L179 PolarHBondContact O-N 2.93Å; L179-I241 HydrophobicContact CD1-CD1 4.05Å; L179-T243 HydrophobicContact CD2-CG2 3.73Å; L179-L247 CarbonylContact C-O 3.43Å; L179-L247 WeakPolarHBondContact CA-O 3.46Å; L179-L248 HydrophobicContact CD2-CD2 4.2Å
180S86.6Confident89Confident39 Ų3946.8 Ų46.827%0.27324%0.238SC..PPolyproline II helixtrans-57.8163.4175.9720000111.5R47 L182 L247R47-S180 PolarHBondContact NH1-O 3.43Å; R47-S180 PolarHBondContact NH2-O 2.96Å; S180-L182 PolarHBondContact O-N 2.93Å; S180-L247 WeakPolarHBondContact CB-O 3.27Å; S180-L247 PolarHBondContact N-O 3.48Å; S180-L247 WeakPolarHBondContact OG-CA 3.46Å; S180-L247 WeakPolarHBondContact OG-CB 3.25Å; S180-L247 WeakPolarHBondContact OG-CD2 3.46Å; S180-L247 PolarHBondContact OG-O 3.01Å
181K86.1Confident88.8Confident183 Ų18342.2 Ų42.280%0.79622%0.217SC*.PPolyproline II helixtrans-62.1134.7179.6-63.8-171.3176.6-168.20110.1
182L87.9Confident88.7Confident9 Ų940.3 Ų40.35%0.04721%0.208CC..PPolyproline II helixtrans-69.3162.3171-60.3162.7000110.5R47 I49 L103 I121 E122 S180 L186 L247 R527R47-L182 HydrophobicContact CB-CD1 4.07Å; R47-L182 VanDerWaalsContact NH2-CD2 3.28Å; I49-L182 HydrophobicContact CD1-CD1 3.72Å; L103-L182 HydrophobicContact CD1-CD1 3.61Å; L103-L182 HydrophobicContact CD1-CD2 4.41Å; I121-L182 HydrophobicContact CG2-CD2 4.29Å; E122-L182 HydrophobicContact CB-CD2 4.4Å; S180-L182 PolarHBondContact O-N 2.93Å; L182-L186 HydrophobicContact CB-CD1 3.62Å; L182-L186 HydrophobicContact CD1-CD1 3.96Å; L182-L186 HydrophobicContact CG-CD1 4.31Å; L182-L247 HydrophobicContact CD2-CD1 4.43Å; L182-R527 VanDerWaalsContact C-NH1 3.33Å; L182-R527 PolarHBondContact O-NH1 3.19Å
183P85.3Confident88.5Confident55 Ų5542 Ų4236%0.35722%0.215SC..PPolyproline II helixtrans-51.1157.1165.9-27.534000113.4I121 L186I121-P183 HydrophobicContact CD1-CG 4.05Å; P183-L186 HydrophobicContact CB-CD2 3.98Å; P183-L186 HydrophobicContact CB-CG 4.39Å; P183-L186 HydrophobicContact CG-CD2 4.07Å; P183-L186 WeakPolarHBondContact O-CD1 3.27Å
184S81.7Confident88.4Confident82 Ų8239.3 Ų39.357%0.57320%0.203SC*.SBendtrans-71.2-34.4179.548.10000112.9R527S184-R527 PolarHBondContact O-N 2.86Å
185E83.8Confident88.3Confident111 Ų11140.8 Ų40.852%0.51920%0.204SC..EExtended strand (participates in β ladder)trans-112.6118.7178.6-65.1-174.1-176.400110
186L87.8Confident88.1Confident2 Ų242.5 Ų42.51%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-137.7152.4-176.8-66.4166.8000110.6Y104 I121 L182 P183 V525Y104-L186 CarbonylContact O-C 3.46Å; Y104-L186 WeakPolarHBondContact O-CA 3.26Å; I121-L186 HydrophobicContact CD1-CD2 3.84Å; L182-L186 HydrophobicContact CB-CD1 3.62Å; L182-L186 HydrophobicContact CD1-CD1 3.96Å; L182-L186 HydrophobicContact CG-CD1 4.31Å; P183-L186 HydrophobicContact CB-CD2 3.98Å; P183-L186 HydrophobicContact CB-CG 4.39Å; P183-L186 HydrophobicContact CG-CD2 4.07Å; P183-L186 WeakPolarHBondContact O-CD1 3.27Å; L186-V525 PolarHBondContact N-O 3.34Å; L186-V525 VanDerWaalsContact N-O 3.13Å; L186-V525 PolarHBondContact O-N 3.31Å
187M88.1Confident88Confident26 Ų2649.9 Ų49.913%0.12825%0.245CC..EExtended strand (participates in β ladder)trans-103.1136.4163.5-61.7-61-68.900108.9L103 Y104 A106 P522 I523 S524L103-M187 WeakPolarHBondContact CA-O 3.22Å; Y104-M187 HydrophobicContact CD1-CB 3.92Å; Y104-M187 HydrophobicContact CD2-CB 3.79Å; Y104-M187 HydrophobicContact CD2-CG 4.25Å; Y104-M187 HydrophobicContact CE1-CB 3.49Å; Y104-M187 VanDerWaalsContact CE1-CB 3.49Å; Y104-M187 HydrophobicContact CE2-CB 3.36Å; Y104-M187 HydrophobicContact CE2-CG 3.69Å; Y104-M187 HydrophobicContact CG-CB 4.05Å; Y104-M187 PolarHBondContact N-O 2.67Å; Y104-M187 PolarHBondContact O-N 3.39Å; A106-M187 HydrophobicContact CB-CG 3.85Å; A106-M187 HydrophobicContact CB-SD 4.16Å; M187-P522 HydrophobicContact CE-CB 3.72Å; M187-I523 CarbonylContact C-O 3.51Å; M187-I523 WeakPolarHBondContact CA-O 3.15Å; M187-S524 WeakPolarHBondContact SD-CA 3.47Å
188I91.6Very high88.1Confident1 Ų148.2 Ų48.21%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-113134.7172.3-171.4168.1000109.8L44 I49 I80 W83 I101 A102 L103 P522 I523 V525L44-I188 HydrophobicContact CD2-CD1 3.74Å; I49-I188 HydrophobicContact CG2-CD1 4.48Å; I80-I188 HydrophobicContact CD1-CD1 4.02Å; I80-I188 HydrophobicContact CD1-CG1 4.47Å; I80-I188 HydrophobicContact CD1-CG2 4.17Å; W83-I188 HydrophobicContact CH2-CG2 4.39Å; W83-I188 HydrophobicContact CZ3-CG1 4.43Å; I101-I188 HydrophobicContact CG2-CD1 3.77Å; I101-I188 HydrophobicContact CG2-CG1 3.83Å; A102-I188 WeakPolarHBondContact O-CA 3.05Å; L103-I188 HydrophobicContact CD2-CB 3.9Å; L103-I188 HydrophobicContact CD2-CD1 3.89Å; L103-I188 HydrophobicContact CD2-CG1 3.74Å; I188-P522 WeakPolarHBondContact O-CA 3.43Å; I188-I523 HydrophobicContact CG2-CB 3.85Å; I188-I523 HydrophobicContact CG2-CD1 4.25Å; I188-I523 PolarHBondContact N-O 2.94Å; I188-I523 PolarHBondContact O-N 3.21Å; I188-V525 HydrophobicContact CB-CG2 4.44Å; I188-V525 HydrophobicContact CG2-CG2 3.67Å
189T89.5Confident88.2Confident0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-137.7160.9174-175.90000110.3I101 A102 Y104 F216 N520I101-T189 CarbonylContact C-O 3.36Å; I101-T189 WeakPolarHBondContact CA-O 3.38Å; A102-T189 HydrophobicContact CB-CG2 3.98Å; A102-T189 PolarHBondContact N-O 3.18Å; A102-T189 PolarHBondContact O-N 3.47Å; Y104-T189 HydrophobicContact CD1-CG2 4.32Å; Y104-T189 HydrophobicContact CE1-CG2 3.79Å; T189-F216 HydrophobicContact CG2-CE1 4.03Å; T189-F216 HydrophobicContact CG2-CZ 3.83Å; T189-N520 PolarHBondContact OG1-OD1 2.97Å
190M92Very high88.4Confident0 Ų047 Ų470%025%0.245CC..EExtended strand (participates in β ladder)trans-127.8127.7172.6-167.7-175.3-74.300109.8W83 T100 I101 L192 F208 N520W83-M190 HydrophobicContact CB-CE 4.32Å; W83-M190 HydrophobicContact CB-SD 4.24Å; W83-M190 HydrophobicContact CE3-CB 3.91Å; W83-M190 HydrophobicContact CE3-CE 4.36Å; W83-M190 HydrophobicContact CZ3-CB 4.23Å; T100-M190 CarbonylContact O-C 3.53Å; T100-M190 VanDerWaalsContact O-CA 3.29Å; T100-M190 WeakPolarHBondContact O-CA 3.34Å; I101-M190 HydrophobicContact CD1-CE 3.86Å; I101-M190 HydrophobicContact CG1-CE 3.57Å; I101-M190 HydrophobicContact CG1-CG 4.26Å; M190-L192 HydrophobicContact CG-CD2 4.13Å; M190-L192 HydrophobicContact SD-CD2 4.04Å; M190-F208 HydrophobicContact CB-CE1 4.12Å; M190-F208 HydrophobicContact CB-CZ 4.44Å; M190-F208 HydrophobicContact CG-CE1 4.28Å; M190-F208 HydrophobicContact CG-CZ 4.38Å; M190-F208 HydrophobicContact SD-CE1 4.33Å; M190-F208 HydrophobicContact SD-CZ 3.84Å; M190-N520 WeakPolarHBondContact CB-ND2 3.16Å; M190-N520 PolarHBondContact N-ND2 3.22Å; M190-N520 PolarHBondContact N-OD1 3.45Å; M190-N520 PolarHBondContact O-N 3.22Å; M190-N520 PolarHBondContact O-OD1 2.9Å
191K89.2Confident88.3Confident21 Ų2151 Ų519%0.09126%0.259CS..EExtended strand (participates in β ladder)trans-107.8131.5174.4-179.8176.5-178.4174.40110T100 V214 F216 D517 M518T100-K191 PolarHBondContact N-O 3.29Å; T100-K191 PolarHBondContact O-N 3.4Å; K191-V214 HydrophobicContact CD-CG1 4.16Å; K191-V214 PolarHBondContact NZ-O 3.47Å; K191-F216 HydrophobicContact CB-CE1 4.5Å; K191-F216 HydrophobicContact CB-CE2 3.58Å; K191-F216 HydrophobicContact CB-CZ 3.51Å; K191-F216 HydrophobicContact CD-CD2 4.39Å; K191-F216 HydrophobicContact CD-CE2 4.06Å; K191-F216 HydrophobicContact CD-CZ 4.16Å; K191-F216 HydrophobicContact CG-CE2 4.45Å; K191-F216 HydrophobicContact CG-CZ 4.44Å; K191-D517 WeakPolarHBondContact CE-OD2 3.21Å; K191-D517 IonicContact NZ-OD2 3.55Å; K191-D517 PolarHBondContact NZ-OD2 3.05Å; K191-M518 CarbonylContact C-O 3.5Å; K191-M518 WeakPolarHBondContact CA-O 3.1Å
192L92.6Very high88.5Confident0 Ų046.9 Ų46.90%025%0.253CS..EExtended strand (participates in β ladder)trans-107.8142.5175-51.3-174.8000110.3C87 L96 S98 A99 M190 Y194 P205 F208 M518C87-L192 VanDerWaalsContact SG-CD2 3.56Å; L96-L192 HydrophobicContact CD1-CB 4.01Å; L96-L192 HydrophobicContact CD1-CD1 4.35Å; L96-L192 HydrophobicContact CD1-CD2 4.02Å; L96-L192 HydrophobicContact CD1-CG 4.34Å; S98-L192 WeakPolarHBondContact O-CA 3.13Å; A99-L192 HydrophobicContact CB-CD2 3.65Å; M190-L192 HydrophobicContact CG-CD2 4.13Å; M190-L192 HydrophobicContact SD-CD2 4.04Å; L192-Y194 HydrophobicContact CB-CE1 4.17Å; L192-Y194 HydrophobicContact CD1-CE1 4.37Å; L192-Y194 WeakPolarHBondContact CD1-OH 3.3Å; L192-P205 HydrophobicContact CD1-CG 3.92Å; L192-F208 HydrophobicContact CD1-CD1 3.8Å; L192-F208 HydrophobicContact CD1-CD2 3.78Å; L192-F208 HydrophobicContact CD1-CE1 3.68Å; L192-F208 HydrophobicContact CD1-CE2 3.67Å; L192-F208 HydrophobicContact CD1-CG 3.85Å; L192-F208 HydrophobicContact CD1-CZ 3.61Å; L192-F208 HydrophobicContact CD2-CE1 3.95Å; L192-F208 HydrophobicContact CD2-CZ 3.95Å; L192-F208 HydrophobicContact CG-CD1 3.83Å; L192-F208 HydrophobicContact CG-CE1 3.51Å; L192-F208 HydrophobicContact CG-CE2 4.38Å; L192-F208 HydrophobicContact CG-CG 4.39Å; L192-F208 HydrophobicContact CG-CZ 3.82Å; L192-M518 HydrophobicContact CB-CB 4.37Å; L192-M518 PolarHBondContact N-O 3.04Å; L192-M518 PolarHBondContact O-N 3.06Å
193Q89.5Confident88.7Confident41 Ų4147.4 Ų47.419%0.19226%0.255CS..EExtended strand (participates in β ladder)trans-123.5140.9168.3-44-169.9-70.300108.7K97 S98 D517K97-Q193 WeakPolarHBondContact CA-O 3.43Å; K97-Q193 WeakPolarHBondContact CB-O 3.45Å; K97-Q193 PolarHBondContact N-O 3.31Å; S98-Q193 PolarHBondContact N-O 3.08Å; S98-Q193 VanDerWaalsContact N-O 3.09Å; S98-Q193 PolarHBondContact O-N 3.19Å; S98-Q193 WeakPolarHBondContact OG-CB 3.13Å; S98-Q193 WeakPolarHBondContact OG-CG 3.17Å; S98-Q193 PolarHBondContact OG-OE1 2.86Å; Q193-D517 WeakPolarHBondContact CG-OD1 3.45Å; Q193-D517 PolarHBondContact NE2-OD1 3.24Å
194Y91.4Very high88.9Confident4 Ų448.1 Ų48.12%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-108.7170.6-178.6-55.4-58.2000113.1A90 F95 L96 L192 T199 Y203 P205 M516 M518A90-Y194 HydrophobicContact CB-CE1 4.02Å; F95-Y194 HydrophobicContact CB-CD1 4.14Å; F95-Y194 CarbonylContact O-C 3.58Å; F95-Y194 WeakPolarHBondContact O-CA 3.3Å; F95-Y194 WeakPolarHBondContact O-CB 3.07Å; L96-Y194 HydrophobicContact CD1-CD1 4.32Å; L96-Y194 HydrophobicContact CD1-CE1 4.08Å; L192-Y194 HydrophobicContact CB-CE1 4.17Å; L192-Y194 HydrophobicContact CD1-CE1 4.37Å; L192-Y194 WeakPolarHBondContact CD1-OH 3.3Å; Y194-T199 WeakPolarHBondContact CB-OG1 3.44Å; Y194-T199 HydrophobicContact CD2-CG2 4.1Å; Y194-T199 HydrophobicContact CG-CG2 4Å; Y194-Y203 HydrophobicContact CE1-CE1 4.04Å; Y194-Y203 HydrophobicContact CE2-CD1 4.39Å; Y194-Y203 AromaticContact CZ-CE1 3.98Å; Y194-P205 WeakPolarHBondContact OH-CD 3.42Å; Y194-P205 WeakPolarHBondContact OH-CG 3.37Å; Y194-M516 HydrophobicContact CD2-CB 4.49Å; Y194-M518 HydrophobicContact CE2-CB 4.18Å; Y194-M518 HydrophobicContact CE2-CG 3.7Å; Y194-M518 HydrophobicContact CE2-SD 3.59Å; Y194-M518 VanDerWaalsContact CE2-SD 3.59Å; Y194-M518 PolarHBondContact OH-SD 2.9Å
195Y90Very high89.4Confident65 Ų6544.4 Ų44.426%0.25523%0.231SC..  trans-82.3104.1162-72.6-78.5000108.9F95 K97 L128 Y130 E197 V198 T199F95-Y195 PolarHBondContact O-N 3.28Å; K97-Y195 HydrophobicContact CB-CD1 4.43Å; K97-Y195 HydrophobicContact CB-CD2 3.82Å; K97-Y195 HydrophobicContact CB-CE1 4.37Å; K97-Y195 HydrophobicContact CB-CE2 3.73Å; K97-Y195 HydrophobicContact CB-CG 4.17Å; K97-Y195 HydrophobicContact CD-CD1 4.34Å; K97-Y195 HydrophobicContact CD-CE1 4.28Å; K97-Y195 HydrophobicContact CG-CD1 4.44Å; K97-Y195 HydrophobicContact CG-CE1 4.08Å; K97-Y195 HydrophobicContact CG-CE2 4.17Å; L128-Y195 PolarHBondContact O-OH 3.02Å; Y130-Y195 HydrophobicContact CD2-CD2 4.16Å; Y130-Y195 AromaticContact CD2-CE2 3.68Å; Y130-Y195 HydrophobicContact CD2-CE2 3.68Å; Y130-Y195 AromaticContact CE2-CD2 3.92Å; Y130-Y195 HydrophobicContact CE2-CD2 3.92Å; Y130-Y195 AromaticContact CE2-CE2 3.54Å; Y130-Y195 HydrophobicContact CE2-CE2 3.54Å; Y195-E197 PolarHBondContact O-N 3.07Å; Y195-E197 VanDerWaalsContact O-N 3.16Å; Y195-V198 PolarHBondContact O-N 3.49Å; Y195-T199 WeakPolarHBondContact O-CB 3.43Å; Y195-T199 PolarHBondContact O-N 3.24Å; Y195-T199 VanDerWaalsContact O-N 3.11Å; Y195-T199 PolarHBondContact O-OG1 2.99Å
196D85.6Confident89.6Confident42 Ų4241.6 Ų41.623%0.22522%0.223CC..THydrogen-bonded Turntrans-54.8-35.9-176.5-59.5-37.3000111.8V198 R513 M516D196-V198 VanDerWaalsContact C-N 3.31Å; D196-V198 PolarHBondContact O-N 3.28Å; D196-R513 PolarHBondContact O-NH1 2.79Å; D196-R513 PolarHBondContact O-NH2 3.01Å; D196-M516 PolarHBondContact OD1-N 2.85Å
197E87.1Confident89.5Confident166 Ų16642.5 Ų42.578%0.77623%0.233SC*.THydrogen-bonded Turntrans-59.5-36-177.6-52.1-64.7178.700113.8Y195Y195-E197 PolarHBondContact O-N 3.07Å; Y195-E197 VanDerWaalsContact O-N 3.16Å
198V89.4Confident89.5Confident83 Ų8341.7 Ų41.750%0.50323%0.229SC..THydrogen-bonded Turntrans-111-16.9-172.1-63.70000113.8F95 Y195 D196 P200F95-V198 HydrophobicContact CD1-CG2 4.03Å; F95-V198 VanDerWaalsContact CE1-O 3.25Å; F95-V198 WeakPolarHBondContact CE1-O 3.49Å; Y195-V198 PolarHBondContact O-N 3.49Å; D196-V198 VanDerWaalsContact C-N 3.31Å; D196-V198 PolarHBondContact O-N 3.28Å; V198-P200 WeakPolarHBondContact O-CD 3.18Å
199T89.3Confident89.1Confident0 Ų048.3 Ų48.30%026%0.257CS..SBendtrans-90.4122.2-171.8-50.70000110.3F95 Y194 Y195 Y203 R513F95-T199 HydrophobicContact CB-CG2 4.1Å; F95-T199 WeakPolarHBondContact CB-OG1 3.39Å; F95-T199 HydrophobicContact CD2-CG2 3.96Å; F95-T199 HydrophobicContact CG-CG2 3.96Å; Y194-T199 WeakPolarHBondContact CB-OG1 3.44Å; Y194-T199 HydrophobicContact CD2-CG2 4.1Å; Y194-T199 HydrophobicContact CG-CG2 4Å; Y195-T199 WeakPolarHBondContact O-CB 3.43Å; Y195-T199 PolarHBondContact O-N 3.24Å; Y195-T199 VanDerWaalsContact O-N 3.11Å; Y195-T199 PolarHBondContact O-OG1 2.99Å; T199-Y203 HydrophobicContact CG2-CD1 3.88Å; T199-Y203 HydrophobicContact CG2-CG 4.3Å; T199-R513 PolarHBondContact O-NH2 3.46Å
200P91.6Very high88.6Confident57 Ų5754.9 Ų54.937%0.3728%0.282SS..  trans-63.9142.7174.7-21.633.3000111.6F95 V198 S202 Y203F95-P200 VanDerWaalsContact CZ-CD 3.44Å; F95-P200 HydrophobicContact CZ-CG 4.24Å; V198-P200 WeakPolarHBondContact O-CD 3.18Å; P200-S202 PolarHBondContact O-N 3.4Å; P200-Y203 VanDerWaalsContact O-CB 3.27Å; P200-Y203 WeakPolarHBondContact O-CB 3.45Å; P200-Y203 PolarHBondContact O-N 3.28Å
201E85.5Confident87.5Confident124 Ų12455.5 Ų55.558%0.57929%0.287SS*.THydrogen-bonded Turntrans-60-31177.9-69.7-176.6-177.100112.5Y203 R210 M516E201-Y203 VanDerWaalsContact C-N 3.28Å; E201-Y203 PolarHBondContact O-N 3.18Å; E201-R210 PolarHBondContact O-NE 3.14Å; E201-R210 PolarHBondContact O-NH2 3.46Å; E201-M516 HydrophobicContact CB-CE 4.48Å; E201-M516 HydrophobicContact CB-SD 4.42Å; E201-M516 HydrophobicContact CG-SD 4.01Å; E201-M516 WeakPolarHBondContact O-CE 3.46Å
202S89.7Confident86.2Confident95 Ų9560.2 Ų60.266%0.66431%0.313SS*.THydrogen-bonded Turntrans-71.5-14.4177.956.40000114.8P200 V204 R210P200-S202 PolarHBondContact O-N 3.4Å; S202-V204 PolarHBondContact O-N 3.19Å; S202-R210 VanDerWaalsContact CA-NH2 3.33Å
203Y91.7Very high84.9Confident21 Ų2163.6 Ų63.68%0.08233%0.332CS..  trans-69.6129.5-174.2177.7-105.4000111.9D89 A90 F95 Y194 T199 P200 E201 P205 M518D89-Y203 VanDerWaalsContact OD2-CE2 3.27Å; D89-Y203 WeakPolarHBondContact OD2-CE2 3.43Å; D89-Y203 PolarHBondContact OD2-OH 3.41Å; A90-Y203 WeakPolarHBondContact CA-OH 3.35Å; A90-Y203 HydrophobicContact CB-CE1 4.26Å; A90-Y203 WeakPolarHBondContact CB-OH 3.48Å; A90-Y203 PolarHBondContact N-OH 3.41Å; A90-Y203 VanDerWaalsContact N-OH 3.08Å; F95-Y203 AromaticContact CD2-CD1 3.85Å; F95-Y203 HydrophobicContact CD2-CD1 3.85Å; F95-Y203 AromaticContact CD2-CD2 3.98Å; F95-Y203 HydrophobicContact CD2-CD2 3.98Å; F95-Y203 AromaticContact CD2-CE1 3.82Å; F95-Y203 HydrophobicContact CD2-CE1 3.82Å; F95-Y203 AromaticContact CD2-CE2 3.95Å; F95-Y203 HydrophobicContact CD2-CE2 3.95Å; F95-Y203 AromaticContact CD2-CG 3.92Å; F95-Y203 HydrophobicContact CD2-CG 3.92Å; F95-Y203 AromaticContact CD2-CZ 3.86Å; F95-Y203 HydrophobicContact CE2-CD1 4.41Å; F95-Y203 AromaticContact CE2-CD2 3.84Å; F95-Y203 HydrophobicContact CE2-CD2 3.84Å; F95-Y203 HydrophobicContact CE2-CE2 4.08Å; F95-Y203 HydrophobicContact CE2-CG 4.01Å; Y194-Y203 HydrophobicContact CE1-CE1 4.04Å; Y194-Y203 HydrophobicContact CE2-CD1 4.39Å; Y194-Y203 AromaticContact CZ-CE1 3.98Å; T199-Y203 HydrophobicContact CG2-CD1 3.88Å; T199-Y203 HydrophobicContact CG2-CG 4.3Å; P200-Y203 VanDerWaalsContact O-CB 3.27Å; P200-Y203 WeakPolarHBondContact O-CB 3.45Å; P200-Y203 PolarHBondContact O-N 3.28Å; E201-Y203 VanDerWaalsContact C-N 3.28Å; E201-Y203 PolarHBondContact O-N 3.18Å; Y203-P205 HydrophobicContact CE1-CB 4.22Å; Y203-P205 HydrophobicContact CE1-CG 4.09Å; Y203-M518 WeakPolarHBondContact O-CE 3.48Å
204V90.4Very high83.9Confident70 Ų7062.3 Ų62.342%0.42433%0.326SS..  trans-138.3113.4172.9-1730000108.1S202 F208 M518S202-V204 PolarHBondContact O-N 3.19Å; V204-F208 VanDerWaalsContact CG1-O 3.23Å; V204-F208 WeakPolarHBondContact CG1-O 3.28Å; V204-M518 HydrophobicContact CB-CE 4.01Å; V204-M518 HydrophobicContact CG1-CE 3.99Å; V204-M518 HydrophobicContact CG1-SD 4.39Å; V204-M518 HydrophobicContact CG2-CE 3.75Å
205P90.6Very high82.9Confident3 Ų363.5 Ų63.52%0.01934%0.336CS..  trans-73.6155.117825.6-24.9000111.7G86 L192 Y194 Y203 G207 F208 M518G86-P205 WeakPolarHBondContact O-CB 3.32Å; L192-P205 HydrophobicContact CD1-CG 3.92Å; Y194-P205 WeakPolarHBondContact OH-CD 3.42Å; Y194-P205 WeakPolarHBondContact OH-CG 3.37Å; Y203-P205 HydrophobicContact CE1-CB 4.22Å; Y203-P205 HydrophobicContact CE1-CG 4.09Å; P205-G207 PolarHBondContact O-N 3.26Å; P205-F208 HydrophobicContact CB-CD2 4.26Å; P205-F208 HydrophobicContact CG-CB 4Å; P205-F208 HydrophobicContact CG-CD2 3.8Å; P205-F208 HydrophobicContact CG-CG 4.12Å; P205-F208 PolarHBondContact O-N 3.21Å; P205-M518 WeakPolarHBondContact CD-SD 3.48Å; P205-M518 HydrophobicContact CG-SD 4.2Å
206P88.5Confident82.3Confident52 Ų5262.4 Ų62.434%0.33833%0.332SS..THydrogen-bonded Turntrans-48.8128.5172.9-2833.2000113Y82 G86 F208Y82-P206 HydrophobicContact CE2-CB 4.09Å; G86-P206 VanDerWaalsContact CA-O 3.26Å; G86-P206 WeakPolarHBondContact CA-O 3.45Å; P206-F208 VanDerWaalsContact O-CD2 3.27Å; P206-F208 WeakPolarHBondContact O-CD2 3.3Å
207G85.4Confident82Confident21 Ų2163.2 Ų63.222%0.21634%0.336CS..THydrogen-bonded Turntrans86.5-0.4177.300000116.6Y82 P205 N520Y82-G207 PolarHBondContact OH-N 2.85Å; P205-G207 PolarHBondContact O-N 3.26Å; G207-N520 WeakPolarHBondContact O-CB 3.36Å
208F88.2Confident81.4Confident10 Ų1057.2 Ų57.24%0.04431%0.308CS..  trans-120161.7179.4-62.9-92.4000112.3W83 M190 L192 V204 P205 P206 M518 N520W83-F208 HydrophobicContact CB-CE2 4.2Å; W83-F208 HydrophobicContact CB-CZ 3.89Å; W83-F208 HydrophobicContact CG-CZ 4.32Å; W83-F208 WeakPolarHBondContact O-CE2 3.37Å; M190-F208 HydrophobicContact CB-CE1 4.12Å; M190-F208 HydrophobicContact CB-CZ 4.44Å; M190-F208 HydrophobicContact CG-CE1 4.28Å; M190-F208 HydrophobicContact CG-CZ 4.38Å; M190-F208 HydrophobicContact SD-CE1 4.33Å; M190-F208 HydrophobicContact SD-CZ 3.84Å; L192-F208 HydrophobicContact CD1-CD1 3.8Å; L192-F208 HydrophobicContact CD1-CD2 3.78Å; L192-F208 HydrophobicContact CD1-CE1 3.68Å; L192-F208 HydrophobicContact CD1-CE2 3.67Å; L192-F208 HydrophobicContact CD1-CG 3.85Å; L192-F208 HydrophobicContact CD1-CZ 3.61Å; L192-F208 HydrophobicContact CD2-CE1 3.95Å; L192-F208 HydrophobicContact CD2-CZ 3.95Å; L192-F208 HydrophobicContact CG-CD1 3.83Å; L192-F208 HydrophobicContact CG-CE1 3.51Å; L192-F208 HydrophobicContact CG-CE2 4.38Å; L192-F208 HydrophobicContact CG-CG 4.39Å; L192-F208 HydrophobicContact CG-CZ 3.82Å; V204-F208 VanDerWaalsContact CG1-O 3.23Å; V204-F208 WeakPolarHBondContact CG1-O 3.28Å; P205-F208 HydrophobicContact CB-CD2 4.26Å; P205-F208 HydrophobicContact CG-CB 4Å; P205-F208 HydrophobicContact CG-CD2 3.8Å; P205-F208 HydrophobicContact CG-CG 4.12Å; P205-F208 PolarHBondContact O-N 3.21Å; P206-F208 VanDerWaalsContact O-CD2 3.27Å; P206-F208 WeakPolarHBondContact O-CD2 3.3Å; F208-M518 HydrophobicContact CB-CB 4.38Å; F208-M518 HydrophobicContact CB-SD 4.48Å; F208-N520 HydrophobicContact CD1-CB 3.94Å; F208-N520 HydrophobicContact CE1-CB 4.04Å
209K83.9Confident80.2Confident140 Ų14058.2 Ų58.261%0.60931%0.307SS*.EExtended strand (participates in β ladder)trans-131.6154.9174.1-64.9178.3-179.8177.50108.6A211 M518 A519K209-A211 PolarHBondContact O-N 3.22Å; K209-M518 WeakPolarHBondContact O-CA 2.78Å; K209-A519 PolarHBondContact N-O 3.45Å; K209-A519 PolarHBondContact O-N 3.41Å; K209-A519 VanDerWaalsContact O-N 3.07Å; K209-A519 VanDerWaalsContact O-O 3.07Å
210R80.1Confident79Confident137 Ų13761 Ų6152%0.51732%0.32SS..EExtended strand (participates in β ladder)trans-59.2136.5170.6-73.8-167.2-168.2121.44.5109.4E201 S202 M518E201-R210 PolarHBondContact O-NE 3.14Å; E201-R210 PolarHBondContact O-NH2 3.46Å; S202-R210 VanDerWaalsContact CA-NH2 3.33Å; R210-M518 HydrophobicContact CB-CE 4.39Å; R210-M518 HydrophobicContact CG-CE 3.44Å; R210-M518 VanDerWaalsContact CG-CE 3.44Å
211A68.9Low78.1Confident14 Ų1464.5 Ų64.512%0.11634%0.336CS..  trans-142.167.7-172.600000108.6K209 N213 V214 D517 A519K209-A211 PolarHBondContact O-N 3.22Å; A211-N213 PolarHBondContact O-N 3.45Å; A211-V214 HydrophobicContact CB-CB 4.37Å; A211-V214 HydrophobicContact CB-CG2 3.63Å; A211-D517 PolarHBondContact N-O 3.04Å; A211-A519 HydrophobicContact CB-CB 3.52Å
212D61Low77.8Confident119 Ų11960.8 Ų60.864%0.63632%0.32SS*.THydrogen-bonded Turntrans-63.4-15-169.8-60.9-18.1000112.7
213N64.4Low77.2Confident72 Ų7256.3 Ų56.339%0.38529%0.288SS..THydrogen-bonded Turntrans-135.742.1-174.7-65.1-24.4000114.1E114 F115 C116 A211E114-N213 PolarHBondContact O-ND2 3.17Å; E114-N213 VanDerWaalsContact O-ND2 3.15Å; F115-N213 HydrophobicContact CD1-CB 3.67Å; F115-N213 HydrophobicContact CE1-CB 4.13Å; F115-N213 HydrophobicContact CG-CB 4.39Å; C116-N213 PolarHBondContact N-O 2.86Å; A211-N213 PolarHBondContact O-N 3.45Å
214V69.1Low76.7Confident13 Ų1356.5 Ų56.58%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-93.7113.5173.8171.10000111.5C116 Y118 K191 A211 F216 A519C116-V214 HydrophobicContact CB-CG2 3.82Å; C116-V214 WeakPolarHBondContact O-CA 3.43Å; Y118-V214 HydrophobicContact CD2-CG1 3.92Å; Y118-V214 HydrophobicContact CE2-CG1 3.78Å; Y118-V214 HydrophobicContact CE2-CG2 4.26Å; K191-V214 HydrophobicContact CD-CG1 4.16Å; K191-V214 PolarHBondContact NZ-O 3.47Å; A211-V214 HydrophobicContact CB-CB 4.37Å; A211-V214 HydrophobicContact CB-CG2 3.63Å; V214-F216 HydrophobicContact CG1-CD1 3.98Å; V214-F216 HydrophobicContact CG1-CE1 3.64Å; V214-F216 HydrophobicContact CG1-CZ 4.44Å; V214-A519 HydrophobicContact CG2-CB 4Å
215S71.5Confident76.3Confident30 Ų3053.4 Ų53.421%0.2127%0.272CS..EExtended strand (participates in β ladder)trans-105.5134.4172.1580000110.6C116 E117 Y118C116-S215 PolarHBondContact O-N 3.41Å; C116-S215 VanDerWaalsContact O-N 3.08Å; E117-S215 WeakPolarHBondContact CA-OG 3.42Å; E117-S215 WeakPolarHBondContact CB-OG 3.12Å; E117-S215 WeakPolarHBondContact CG-OG 3.39Å; E117-S215 PolarHBondContact OE1-OG 3.3Å; Y118-S215 PolarHBondContact N-O 2.9Å
216F77.2Confident76.2Confident42 Ų4259.1 Ų59.118%0.18429%0.293CS..EExtended strand (participates in β ladder)trans-104.8104.8172.2-75.1-6.9000107.2T100 A102 Y118 I120 T189 K191 V214T100-F216 HydrophobicContact CG2-CD2 4.16Å; T100-F216 HydrophobicContact CG2-CE2 3.93Å; A102-F216 HydrophobicContact CB-CD2 3.99Å; A102-F216 HydrophobicContact CB-CE1 4.32Å; A102-F216 HydrophobicContact CB-CE2 3.54Å; A102-F216 HydrophobicContact CB-CZ 3.73Å; Y118-F216 AromaticContact CD2-CD1 3.91Å; Y118-F216 HydrophobicContact CD2-CD1 3.91Å; Y118-F216 AromaticContact CD2-CE1 3.69Å; Y118-F216 HydrophobicContact CD2-CE1 3.69Å; Y118-F216 HydrophobicContact CE2-CE1 4.34Å; Y118-F216 HydrophobicContact CG-CD1 4.47Å; Y118-F216 HydrophobicContact CG-CE1 4.38Å; I120-F216 HydrophobicContact CD1-CD1 4Å; I120-F216 HydrophobicContact CD1-CE1 4.41Å; I120-F216 HydrophobicContact CD1-CG 4.22Å; I120-F216 HydrophobicContact CG1-CB 3.68Å; I120-F216 HydrophobicContact CG1-CD1 4.09Å; I120-F216 HydrophobicContact CG1-CD2 4.44Å; I120-F216 HydrophobicContact CG1-CG 3.84Å; T189-F216 HydrophobicContact CG2-CE1 4.03Å; T189-F216 HydrophobicContact CG2-CZ 3.83Å; K191-F216 HydrophobicContact CB-CE1 4.5Å; K191-F216 HydrophobicContact CB-CE2 3.58Å; K191-F216 HydrophobicContact CB-CZ 3.51Å; K191-F216 HydrophobicContact CD-CD2 4.39Å; K191-F216 HydrophobicContact CD-CE2 4.06Å; K191-F216 HydrophobicContact CD-CZ 4.16Å; K191-F216 HydrophobicContact CG-CE2 4.45Å; K191-F216 HydrophobicContact CG-CZ 4.44Å; V214-F216 HydrophobicContact CG1-CD1 3.98Å; V214-F216 HydrophobicContact CG1-CE1 3.64Å; V214-F216 HydrophobicContact CG1-CZ 4.44Å
217N77.6Confident76.3Confident58 Ų5856.8 Ų56.831%0.3128%0.277SS..EExtended strand (participates in β ladder)trans-105134.2-176.1-62.9-25.1000108.3E117 Y118 N119 I120E117-N217 PolarHBondContact OE2-ND2 3.38Å; Y118-N217 PolarHBondContact O-N 2.88Å; Y118-N217 VanDerWaalsContact O-O 3.13Å; N119-N217 CarbonylContact C-O 3.59Å; N119-N217 WeakPolarHBondContact CA-O 3.44Å; I120-N217 PolarHBondContact N-O 2.87Å
218F75.4Confident76.4Confident41 Ų4157 Ų5718%0.1828%0.28CS..  trans-97.5124.8170.7-72.7-95.9000107.3I120 E220 N222 Q242I120-F218 HydrophobicContact CB-CD1 4.36Å; I120-F218 HydrophobicContact CB-CE1 4.09Å; I120-F218 HydrophobicContact CB-CE2 4.36Å; I120-F218 HydrophobicContact CB-CZ 4.08Å; I120-F218 HydrophobicContact CG2-CD1 4.46Å; I120-F218 HydrophobicContact CG2-CE1 3.73Å; I120-F218 HydrophobicContact CG2-CE2 4.38Å; I120-F218 HydrophobicContact CG2-CZ 3.68Å; I120-F218 WeakPolarHBondContact O-CD1 2.94Å; F218-E220 PolarHBondContact O-N 2.98Å; F218-N222 HydrophobicContact CB-CB 4.02Å; F218-N222 HydrophobicContact CD1-CB 3.7Å; F218-N222 HydrophobicContact CD2-CB 4.39Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.27Å; F218-N222 HydrophobicContact CE1-CB 4.25Å; F218-N222 HydrophobicContact CG-CB 3.78Å; F218-N222 WeakPolarHBondContact CG-ND2 3.11Å; F218-Q242 HydrophobicContact CE1-CB 4.19Å; F218-Q242 HydrophobicContact CE2-CB 4.14Å; F218-Q242 HydrophobicContact CZ-CB 3.57Å
219E63.8Low76.6Confident103 Ų10360 Ų6048%0.48130%0.297SS..SBendtrans-66.8-25.2-179.5-66.7-176.9151.900112.8K108 N119K108-E219 WeakPolarHBondContact CD-OE1 3.26Å; K108-E219 WeakPolarHBondContact CE-OE1 3.3Å; K108-E219 IonicContact NZ-OE1 3.14Å; K108-E219 PolarHBondContact NZ-OE1 2.98Å; K108-E219 IonicContact NZ-OE2 3.95Å; K108-E219 PolarHBondContact NZ-OE2 3.47Å; N119-E219 HydrophobicContact CB-CG 3.82Å; N119-E219 PolarHBondContact ND2-OE1 3.45Å
220E64.8Low77.1Confident59 Ų5953.4 Ų53.428%0.27627%0.268SS..SBendtrans-127.1165.3-173-61.9-177.9-177.100110.8F218 N222 R246F218-E220 PolarHBondContact O-N 2.98Å; E220-N222 PolarHBondContact O-N 3.24Å; E220-R246 IonicContact OE1-CZ 2.87Å; E220-R246 IonicContact OE1-NE 3.59Å; E220-R246 IonicContact OE1-NH1 2.95Å; E220-R246 PolarHBondContact OE1-NH1 3.4Å; E220-R246 IonicContact OE1-NH2 3.1Å; E220-R246 PolarHBondContact OE1-NH2 3.33Å; E220-R246 VanDerWaalsContact OE1-NH2 3.1Å; E220-R246 WeakPolarHBondContact OE2-CD 3.47Å; E220-R246 WeakPolarHBondContact OE2-CG 3.27Å; E220-R246 IonicContact OE2-CZ 3.24Å; E220-R246 VanDerWaalsContact OE2-CZ 3.24Å; E220-R246 IonicContact OE2-NE 3.1Å; E220-R246 PolarHBondContact OE2-NE 3.44Å; E220-R246 VanDerWaalsContact OE2-NE 3.1Å; E220-R246 IonicContact OE2-NH1 3.39Å; E220-R246 IonicContact OE2-NH2 3.69Å
221D72.1Confident77.7Confident131 Ų13153.7 Ų53.770%0.70127%0.273SS*.  trans-49.8105.4170.3-72.2-17000110.3R245D221-R245 WeakPolarHBondContact O-CB 3.33Å; D221-R245 PolarHBondContact O-N 2.93Å
222N79.5Confident78.8Confident45 Ų4553.3 Ų53.324%0.24127%0.269CS..EExtended strand (participates in β ladder)trans-89.4154.6176.366-20.4000110.1F218 E220 T243F218-N222 HydrophobicContact CB-CB 4.02Å; F218-N222 HydrophobicContact CD1-CB 3.7Å; F218-N222 HydrophobicContact CD2-CB 4.39Å; F218-N222 WeakPolarHBondContact CD2-ND2 3.27Å; F218-N222 HydrophobicContact CE1-CB 4.25Å; F218-N222 HydrophobicContact CG-CB 3.78Å; F218-N222 WeakPolarHBondContact CG-ND2 3.11Å; E220-N222 PolarHBondContact O-N 3.24Å; N222-T243 WeakPolarHBondContact CA-O 3.46Å
223I78.1Confident80Confident1 Ų150.4 Ų50.41%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-117.3143.4174.253.8140.1000109.4I225 Q242 T243 R245 L248 L267I223-I225 HydrophobicContact CD1-CD1 3.68Å; I223-I225 HydrophobicContact CD1-CG1 3.69Å; I223-Q242 VanDerWaalsContact O-CA 3.29Å; I223-Q242 WeakPolarHBondContact O-CA 3.23Å; I223-T243 HydrophobicContact CD1-CG2 3.87Å; I223-T243 HydrophobicContact CG1-CG2 3.74Å; I223-T243 VanDerWaalsContact CG1-O 3.31Å; I223-T243 WeakPolarHBondContact CG1-O 3.46Å; I223-T243 PolarHBondContact N-O 3.42Å; I223-T243 PolarHBondContact O-N 3.01Å; I223-T243 VanDerWaalsContact O-N 3.16Å; I223-R245 HydrophobicContact CG2-CB 4.34Å; I223-L248 HydrophobicContact CD1-CD1 3.23Å; I223-L248 HydrophobicContact CD1-CD2 3.71Å; I223-L248 HydrophobicContact CD1-CG 3.67Å; I223-L248 HydrophobicContact CG1-CD1 4.03Å; I223-L267 HydrophobicContact CD1-CD1 4.44Å
224N79.9Confident81.2Confident25 Ų2549.7 Ų49.713%0.13426%0.256CS..EExtended strand (participates in β ladder)trans-104.5118.3176.4-167.7-29000110H240 I241 Q242 I264 L267N224-H240 PolarHBondContact ND2-CD2 3.2Å; N224-H240 WeakPolarHBondContact OD1-CB 3.07Å; N224-H240 PolarHBondContact OD1-CD2 2.98Å; N224-I241 CarbonylContact C-O 3.58Å; N224-I241 WeakPolarHBondContact CA-O 3.21Å; N224-Q242 HydrophobicContact CB-CG 4.31Å; N224-I264 HydrophobicContact CB-CG2 4.29Å; N224-L267 PolarHBondContact O-N 3.48Å
225I83.4Confident82.4Confident5 Ų549.4 Ų49.43%0.02625%0.254CS..EExtended strand (participates in β ladder)trans-107.9114.5-179.4-51.9178.6000108.9I223 L227 H240 I241 T243 L248 L269I223-I225 HydrophobicContact CD1-CD1 3.68Å; I223-I225 HydrophobicContact CD1-CG1 3.69Å; I225-L227 HydrophobicContact CG2-CD2 4.14Å; I225-L227 PolarHBondContact O-N 3.07Å; I225-H240 CarbonylContact O-C 3.54Å; I225-H240 WeakPolarHBondContact O-CA 3.37Å; I225-H240 WeakPolarHBondContact O-CB 3.37Å; I225-I241 HydrophobicContact CB-CB 4.34Å; I225-I241 PolarHBondContact N-O 3.45Å; I225-I241 PolarHBondContact O-N 3.49Å; I225-T243 HydrophobicContact CD1-CG2 4.31Å; I225-L248 HydrophobicContact CD1-CD2 4.31Å; I225-L269 HydrophobicContact CG2-CD1 3.15Å; I225-L269 HydrophobicContact CG2-CG 4.49Å
226R86.9Confident83.4Confident124 Ų12448.7 Ų48.747%0.46825%0.249SC..EExtended strand (participates in β ladder)trans-80.1117.7174.4-68.6-173.8173.7177.38.3110.2E266 L267R226-E266 WeakPolarHBondContact CD-OE1 3.48Å; R226-E266 HydrophobicContact CG-CG 4.34Å; R226-E266 IonicContact CZ-OE1 3.11Å; R226-E266 IonicContact CZ-OE2 2.64Å; R226-E266 IonicContact NE-OE1 2.95Å; R226-E266 PolarHBondContact NE-OE1 3.49Å; R226-E266 IonicContact NE-OE2 3.95Å; R226-E266 PolarHBondContact NE-OE2 3.24Å; R226-E266 IonicContact NH1-OE1 2.64Å; R226-E266 PolarHBondContact NH1-OE1 2.86Å; R226-E266 IonicContact NH1-OE2 2.84Å; R226-E266 IonicContact NH2-OE1 3.61Å; R226-E266 PolarHBondContact NH2-OE1 2.92Å; R226-E266 VanDerWaalsContact NH2-OE1 3.11Å; R226-E266 IonicContact NH2-OE2 2.69Å; R226-E266 PolarHBondContact NH2-OE2 3.11Å; R226-L267 PolarHBondContact N-O 2.8Å
227L90.6Very high84.3Confident2 Ų246.9 Ų46.91%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-92.6-34-178.3-64.4-177.1000113.4L168 N171 I172 A175 I225 M239 I241 L269L168-L227 HydrophobicContact CD1-CB 3.98Å; N171-L227 HydrophobicContact CB-CB 4.41Å; N171-L227 HydrophobicContact CB-CD2 4.36Å; N171-L227 WeakPolarHBondContact CB-O 3.38Å; N171-L227 PolarHBondContact ND2-O 3.07Å; I172-L227 HydrophobicContact CG1-CD1 3.9Å; A175-L227 HydrophobicContact CB-CD2 3.8Å; I225-L227 HydrophobicContact CG2-CD2 4.14Å; I225-L227 PolarHBondContact O-N 3.07Å; L227-M239 HydrophobicContact CB-CB 4.41Å; L227-M239 HydrophobicContact CB-CG 4.44Å; L227-M239 HydrophobicContact CD1-CE 3.49Å; L227-M239 VanDerWaalsContact CD1-CE 3.49Å; L227-M239 HydrophobicContact CD1-CG 4Å; L227-M239 HydrophobicContact CD1-SD 3.65Å; L227-M239 PolarHBondContact N-O 3.22Å; L227-I241 HydrophobicContact CD1-CD1 3.73Å; L227-I241 HydrophobicContact CD1-CG1 3.6Å; L227-I241 HydrophobicContact CD2-CD1 3.97Å; L227-I241 HydrophobicContact CD2-CG1 4.29Å; L227-I241 HydrophobicContact CG-CD1 4.14Å; L227-I241 HydrophobicContact CG-CG1 3.96Å; L227-L269 HydrophobicContact CD2-CD1 3.73Å
228G89.1Confident85.1Confident26 Ų2647.9 Ų47.927%0.26824%0.243SC..EExtended strand (participates in β ladder)trans169.1169.2178.700000114.7K238 M239G228-K238 WeakPolarHBondContact O-CA 3.41Å; G228-M239 PolarHBondContact N-O 3.32Å; G228-M239 PolarHBondContact O-N 3.45Å
229N91.8Very high86Confident74 Ų7446.1 Ų46.140%0.39624%0.235SC..EExtended strand (participates in β ladder)trans-139.3118.1176.3175.334.2000108.2I237 K238N229-I237 WeakPolarHBondContact CA-O 3.45Å; N229-K238 HydrophobicContact CB-CG 3.91Å; N229-K238 WeakPolarHBondContact OD1-CG 3.18Å
230V94.8Very high87.1Confident0 Ų042.3 Ų42.30%022%0.217CC..EExtended strand (participates in β ladder)trans-108.8121.6174.6-174.60000108F31 L35 A161 A164 L168 S236 I237F31-V230 HydrophobicContact CE1-CG1 3.68Å; F31-V230 HydrophobicContact CZ-CG1 3.8Å; L35-V230 HydrophobicContact CD2-CB 3.78Å; L35-V230 HydrophobicContact CD2-CG1 3.88Å; L35-V230 HydrophobicContact CD2-CG2 3.77Å; A161-V230 HydrophobicContact CB-CG1 4.49Å; A164-V230 HydrophobicContact CB-CB 4.45Å; A164-V230 HydrophobicContact CB-CG1 4.38Å; A164-V230 HydrophobicContact CB-CG2 4.03Å; L168-V230 HydrophobicContact CB-CG2 4.31Å; L168-V230 HydrophobicContact CD2-CG2 3.99Å; V230-S236 CarbonylContact O-C 3.49Å; V230-S236 WeakPolarHBondContact O-CA 3.3Å; V230-I237 HydrophobicContact CB-CG2 4Å; V230-I237 PolarHBondContact N-O 2.75Å; V230-I237 PolarHBondContact O-N 3.4Å
231K92.2Very high88.4Confident143 Ų14339.6 Ų39.662%0.62220%0.204SC*.EExtended strand (participates in β ladder)trans-119.6139.3-179-176.2175.1179.5-173.50109.6
232T90.7Very high89.1Confident6 Ų635.4 Ų35.44%0.03718%0.181CC..  trans-118.5-177.4170.365.50000108.7L22 S28 F31 H234 H235L22-T232 HydrophobicContact CB-CG2 4.34Å; L22-T232 HydrophobicContact CD1-CG2 4.22Å; S28-T232 WeakPolarHBondContact OG-CB 3.47Å; S28-T232 PolarHBondContact OG-OG1 2.99Å; F31-T232 HydrophobicContact CD1-CG2 3.63Å; F31-T232 HydrophobicContact CE1-CG2 3.73Å; T232-H234 PolarHBondContact O-N 3.32Å; T232-H234 PolarHBondContact OG1-N 3.48Å; T232-H235 PolarHBondContact N-O 3.28Å; T232-H235 PolarHBondContact OG1-N 2.92Å; T232-H235 PolarHBondContact OG1-O 3.36Å
233A87.9Confident89.4Confident59 Ų5933.3 Ų33.349%0.48817%0.169SC..SBendtrans-59.2-33.7175.600000113.3
234H89.6Confident89.4Confident56 Ų5633.9 Ų33.926%0.25917%0.173SC..SBendtrans-114.8-21.1-170.1-58.6-75.9000114.2G23 E25 G131 T232G23-H234 PolarHBondContact O-NE2 2.88Å; E25-H234 WeakPolarHBondContact CA-CD2 3.44Å; E25-H234 HydrophobicContact CB-CB 4.35Å; E25-H234 HydrophobicContact CG-CB 4.17Å; E25-H234 PolarHBondContact N-CD2 3.33Å; E25-H234 VanDerWaalsContact N-CD2 3.34Å; E25-H234 PolarHBondContact N-NE2 2.78Å; G131-H234 WeakPolarHBondContact CA-O 3.47Å; G131-H234 PolarHBondContact N-O 3.31Å; T232-H234 PolarHBondContact O-N 3.32Å; T232-H234 PolarHBondContact OG1-N 3.48Å
235H93Very high89.1Confident7 Ų737.1 Ų37.13%0.03218%0.184CC..EExtended strand (participates in β ladder)trans-144.6154.5-172.3-54.8111.2000111.9E25 S28 L29 I32 H94 S129 Y130 T232E25-H235 PolarHBondContact O-CE1 3.02Å; S28-H235 PolarHBondContact OG-ND1 3.05Å; L29-H235 PolarHBondContact N-ND1 3.21Å; I32-H235 HydrophobicContact CD1-CB 4.07Å; I32-H235 HydrophobicContact CG1-CB 3.55Å; H94-H235 AromaticContact CE1-NE2 3.81Å; S129-H235 CarbonylContact O-C 3.5Å; S129-H235 WeakPolarHBondContact O-CA 3.39Å; Y130-H235 AromaticContact CD1-CD2 3.46Å; Y130-H235 VanDerWaalsContact CD1-CD2 3.46Å; Y130-H235 WeakPolarHBondContact CD1-CD2 3.44Å; Y130-H235 AromaticContact CD1-NE2 3.85Å; T232-H235 PolarHBondContact N-O 3.28Å; T232-H235 PolarHBondContact OG1-N 2.92Å; T232-H235 PolarHBondContact OG1-O 3.36Å
236S93.6Very high88.5Confident16 Ų1645.9 Ų45.911%0.11222%0.217CC..EExtended strand (participates in β ladder)trans-136.4145.1167.668.40000112.4L128 S129 V230L128-S236 CarbonylContact C-O 3.59Å; L128-S236 WeakPolarHBondContact CA-O 3.33Å; S129-S236 WeakPolarHBondContact CB-OG 3.49Å; S129-S236 PolarHBondContact N-O 2.93Å; S129-S236 PolarHBondContact O-N 3.05Å; V230-S236 CarbonylContact O-C 3.49Å; V230-S236 WeakPolarHBondContact O-CA 3.3Å
237I95.8Very high87.7Confident3 Ų341 Ų412%0.01520%0.2CC..EExtended strand (participates in β ladder)trans-123124.9171.5-172.1168.8000109.9I32 L35 F36 F126 R127 N229 V230I32-I237 HydrophobicContact CD1-CB 4.04Å; I32-I237 HydrophobicContact CD1-CG2 3.76Å; L35-I237 HydrophobicContact CD2-CG2 3.63Å; L35-I237 HydrophobicContact CG-CG2 4.32Å; F36-I237 HydrophobicContact CB-CD1 3.88Å; F36-I237 HydrophobicContact CD2-CD1 4.1Å; F36-I237 HydrophobicContact CG-CD1 4.45Å; F126-I237 HydrophobicContact CD1-CD1 4.22Å; R127-I237 WeakPolarHBondContact O-CA 3.38Å; N229-I237 WeakPolarHBondContact CA-O 3.45Å; V230-I237 HydrophobicContact CB-CG2 4Å; V230-I237 PolarHBondContact N-O 2.75Å; V230-I237 PolarHBondContact O-N 3.4Å
238K94Very high86.6Confident79 Ų7942.7 Ų42.734%0.34321%0.209SC..EExtended strand (participates in β ladder)trans-113.2133.1177.3-68.2178-176.7176.50109.7F126 R127 G228 N229F126-K238 CarbonylContact C-O 3.57Å; F126-K238 WeakPolarHBondContact CA-O 3.5Å; R127-K238 HydrophobicContact CB-CB 4.33Å; R127-K238 PolarHBondContact N-O 3.39Å; R127-K238 PolarHBondContact O-N 3.18Å; G228-K238 WeakPolarHBondContact O-CA 3.41Å; N229-K238 HydrophobicContact CB-CG 3.91Å; N229-K238 WeakPolarHBondContact OD1-CG 3.18Å
239M94.8Very high84.9Confident5 Ų545.3 Ų45.33%0.02522%0.223CC..EExtended strand (participates in β ladder)trans-120.9137.8179.9-169.6-175174.400111.5A39 V43 Y124 C125 F126 L168 I172 L227 G228A39-M239 HydrophobicContact CB-SD 4.48Å; V43-M239 HydrophobicContact CG2-CE 3.35Å; Y124-M239 HydrophobicContact CD1-CE 3.98Å; C125-M239 WeakPolarHBondContact O-CA 3.37Å; F126-M239 HydrophobicContact CD1-CB 4.38Å; F126-M239 HydrophobicContact CD1-CG 4.02Å; F126-M239 HydrophobicContact CD1-SD 4.33Å; F126-M239 HydrophobicContact CE1-CE 3.9Å; F126-M239 HydrophobicContact CE1-CG 3.83Å; F126-M239 HydrophobicContact CE1-SD 3.6Å; F126-M239 VanDerWaalsContact CE1-SD 3.6Å; F126-M239 HydrophobicContact CZ-CE 3.73Å; F126-M239 HydrophobicContact CZ-CG 4.38Å; F126-M239 HydrophobicContact CZ-SD 4.09Å; L168-M239 HydrophobicContact CD1-CB 3.84Å; L168-M239 HydrophobicContact CD1-CG 4.48Å; L168-M239 HydrophobicContact CD1-SD 3.9Å; I172-M239 HydrophobicContact CD1-CE 4.05Å; I172-M239 HydrophobicContact CD1-SD 3.61Å; I172-M239 HydrophobicContact CG1-CE 3.91Å; I172-M239 HydrophobicContact CG1-SD 3.74Å; L227-M239 HydrophobicContact CB-CB 4.41Å; L227-M239 HydrophobicContact CB-CG 4.44Å; L227-M239 HydrophobicContact CD1-CE 3.49Å; L227-M239 VanDerWaalsContact CD1-CE 3.49Å; L227-M239 HydrophobicContact CD1-CG 4Å; L227-M239 HydrophobicContact CD1-SD 3.65Å; L227-M239 PolarHBondContact N-O 3.22Å; G228-M239 PolarHBondContact N-O 3.32Å; G228-M239 PolarHBondContact O-N 3.45Å
240H87.5Confident82.8Confident22 Ų2244.5 Ų44.510%0.10223%0.232CC..EExtended strand (participates in β ladder)trans-145.5154.8171.461.7-71.9000111.5C125 N224 I225C125-H240 WeakPolarHBondContact CB-CE1 3.3Å; C125-H240 PolarHBondContact N-O 3.31Å; C125-H240 PolarHBondContact O-N 3.35Å; C125-H240 VanDerWaalsContact O-N 3.09Å; C125-H240 PolarHBondContact O-ND1 3.36Å; C125-H240 PolarHBondContact SG-CE1 2.97Å; N224-H240 PolarHBondContact ND2-CD2 3.2Å; N224-H240 WeakPolarHBondContact OD1-CB 3.07Å; N224-H240 PolarHBondContact OD1-CD2 2.98Å; I225-H240 CarbonylContact O-C 3.54Å; I225-H240 WeakPolarHBondContact O-CA 3.37Å; I225-H240 WeakPolarHBondContact O-CB 3.37Å
241I91.5Very high80Confident2 Ų250.2 Ų50.21%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-107.5137.5174-53.4177.1000108E122 S123 Y124 A175 L179 N224 I225 L227 T243E122-I241 HydrophobicContact CG-CG2 4.1Å; S123-I241 CarbonylContact O-C 3.54Å; S123-I241 VanDerWaalsContact O-CA 3.29Å; S123-I241 WeakPolarHBondContact O-CA 3.21Å; Y124-I241 HydrophobicContact CD1-CD1 4.17Å; Y124-I241 HydrophobicContact CD1-CG1 3.71Å; Y124-I241 HydrophobicContact CD1-CG2 4.46Å; Y124-I241 HydrophobicContact CE1-CB 4.46Å; Y124-I241 HydrophobicContact CE1-CD1 3.58Å; Y124-I241 HydrophobicContact CE1-CG1 3.61Å; Y124-I241 HydrophobicContact CE1-CG2 4.1Å; A175-I241 HydrophobicContact CB-CD1 3.67Å; L179-I241 HydrophobicContact CD1-CD1 4.05Å; N224-I241 CarbonylContact C-O 3.58Å; N224-I241 WeakPolarHBondContact CA-O 3.21Å; I225-I241 HydrophobicContact CB-CB 4.34Å; I225-I241 PolarHBondContact N-O 3.45Å; I225-I241 PolarHBondContact O-N 3.49Å; L227-I241 HydrophobicContact CD1-CD1 3.73Å; L227-I241 HydrophobicContact CD1-CG1 3.6Å; L227-I241 HydrophobicContact CD2-CD1 3.97Å; L227-I241 HydrophobicContact CD2-CG1 4.29Å; L227-I241 HydrophobicContact CG-CD1 4.14Å; L227-I241 HydrophobicContact CG-CG1 3.96Å; I241-T243 HydrophobicContact CG2-CG2 4.47Å
242Q85.9Confident77.4Confident44 Ų4447.6 Ų47.621%0.20627%0.267CS..EExtended strand (participates in β ladder)trans-113.4127159.5-60.5-179.5-71.100108.9E122 S123 F218 I223 N224E122-Q242 CarbonylContact C-O 3.54Å; E122-Q242 WeakPolarHBondContact CA-O 3.44Å; S123-Q242 PolarHBondContact N-O 2.91Å; S123-Q242 PolarHBondContact O-N 3.39Å; F218-Q242 HydrophobicContact CE1-CB 4.19Å; F218-Q242 HydrophobicContact CE2-CB 4.14Å; F218-Q242 HydrophobicContact CZ-CB 3.57Å; I223-Q242 VanDerWaalsContact O-CA 3.29Å; I223-Q242 WeakPolarHBondContact O-CA 3.23Å; N224-Q242 HydrophobicContact CB-CG 4.31Å
243T85.7Confident74.6Confident0 Ų056.2 Ų56.20%030%0.304CS..EExtended strand (participates in β ladder)trans-144.5149.9-175.2-170.70000109.8E122 L179 N222 I223 I225 I241 L247E122-T243 WeakPolarHBondContact OE2-CB 3.39Å; E122-T243 PolarHBondContact OE2-OG1 2.98Å; L179-T243 HydrophobicContact CD2-CG2 3.73Å; N222-T243 WeakPolarHBondContact CA-O 3.46Å; I223-T243 HydrophobicContact CD1-CG2 3.87Å; I223-T243 HydrophobicContact CG1-CG2 3.74Å; I223-T243 VanDerWaalsContact CG1-O 3.31Å; I223-T243 WeakPolarHBondContact CG1-O 3.46Å; I223-T243 PolarHBondContact N-O 3.42Å; I223-T243 PolarHBondContact O-N 3.01Å; I223-T243 VanDerWaalsContact O-N 3.16Å; I225-T243 HydrophobicContact CD1-CG2 4.31Å; I241-T243 HydrophobicContact CG2-CG2 4.47Å; T243-L247 WeakPolarHBondContact OG1-CD1 3.18Å
244S78.7Confident72Confident13 Ų1357.9 Ų57.99%0.09131%0.312CS..EExtended strand (participates in β ladder)trans-60.5136.4175.1-62.10000110.6I121 R246 L247I121-S244 PolarHBondContact O-N 3.42Å; S244-R246 PolarHBondContact O-N 2.86Å; S244-L247 WeakPolarHBondContact O-CB 3.43Å; S244-L247 PolarHBondContact O-N 3.33Å
245R73.3Confident69Low93 Ų9361.6 Ų61.635%0.35134%0.339SS..G310 helixtrans-54.9-30.3-177.6-178.4174.3-71.5-101.91.6113.6D221 I223 L247 L248D221-R245 WeakPolarHBondContact O-CB 3.33Å; D221-R245 PolarHBondContact O-N 2.93Å; I223-R245 HydrophobicContact CG2-CB 4.34Å; R245-L247 PolarHBondContact O-N 3.23Å; R245-L248 PolarHBondContact O-N 2.82Å
246R70.6Confident66Low190 Ų19071 Ų7172%0.71738%0.38SS*.G310 helixtrans-60.9-24.1176.7-64.8-172.4-176.7156.814.5113.5E220 S244 L248E220-R246 IonicContact OE1-CZ 2.87Å; E220-R246 IonicContact OE1-NE 3.59Å; E220-R246 IonicContact OE1-NH1 2.95Å; E220-R246 PolarHBondContact OE1-NH1 3.4Å; E220-R246 IonicContact OE1-NH2 3.1Å; E220-R246 PolarHBondContact OE1-NH2 3.33Å; E220-R246 VanDerWaalsContact OE1-NH2 3.1Å; E220-R246 WeakPolarHBondContact OE2-CD 3.47Å; E220-R246 WeakPolarHBondContact OE2-CG 3.27Å; E220-R246 IonicContact OE2-CZ 3.24Å; E220-R246 VanDerWaalsContact OE2-CZ 3.24Å; E220-R246 IonicContact OE2-NE 3.1Å; E220-R246 PolarHBondContact OE2-NE 3.44Å; E220-R246 VanDerWaalsContact OE2-NE 3.1Å; E220-R246 IonicContact OE2-NH1 3.39Å; E220-R246 IonicContact OE2-NH2 3.69Å; S244-R246 PolarHBondContact O-N 2.86Å; R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 3.5Å
247L69.7Low63Low22 Ų2275.7 Ų75.712%0.11541%0.413CS..G310 helixtrans-84-0.5-176.8-59.5178.8000113.5I121 L179 S180 L182 T243 S244 R245I121-L247 HydrophobicContact CG2-CD1 3.54Å; L179-L247 CarbonylContact C-O 3.43Å; L179-L247 WeakPolarHBondContact CA-O 3.46Å; S180-L247 WeakPolarHBondContact CB-O 3.27Å; S180-L247 PolarHBondContact N-O 3.48Å; S180-L247 WeakPolarHBondContact OG-CA 3.46Å; S180-L247 WeakPolarHBondContact OG-CB 3.25Å; S180-L247 WeakPolarHBondContact OG-CD2 3.46Å; S180-L247 PolarHBondContact OG-O 3.01Å; L182-L247 HydrophobicContact CD2-CD1 4.43Å; T243-L247 WeakPolarHBondContact OG1-CD1 3.18Å; S244-L247 WeakPolarHBondContact O-CB 3.43Å; S244-L247 PolarHBondContact O-N 3.33Å; R245-L247 PolarHBondContact O-N 3.23Å
248L67.6Low59.6Low37 Ų3781.8 Ų81.819%0.19445%0.451CS..BIsolated β-bridgetrans-82.3118.9173.3-71.6163.5000110.7L179 I223 I225 R245 R246 G250L179-L248 HydrophobicContact CD2-CD2 4.2Å; I223-L248 HydrophobicContact CD1-CD1 3.23Å; I223-L248 HydrophobicContact CD1-CD2 3.71Å; I223-L248 HydrophobicContact CD1-CG 3.67Å; I223-L248 HydrophobicContact CG1-CD1 4.03Å; I225-L248 HydrophobicContact CD1-CD2 4.31Å; R245-L248 PolarHBondContact O-N 2.82Å; R246-L248 VanDerWaalsContact C-N 3.29Å; R246-L248 PolarHBondContact O-N 3.5Å; L248-G250 PolarHBondContact O-N 2.95Å
249S54.9Low56.5Low81 Ų8186.2 Ų86.257%0.56647%0.473SS*.  trans-77.9105.3168.5710000109.6R178R178-S249 PolarHBondContact O-N 3.27Å; R178-S249 VanDerWaalsContact O-N 3.09Å; R178-S249 PolarHBondContact O-OG 2.94Å
250G47.7Very low53.2Low56 Ų5694.8 Ų94.858%0.57751%0.512SS*.SBendtrans140.8130.1172.400000113.6L248 V252L248-G250 PolarHBondContact O-N 2.95Å; G250-V252 PolarHBondContact O-N 3.26Å
251S35Very low50.3Low121 Ų121101 Ų10185%0.84655%0.546SS*.  trans-71.988.6-178.7-158.20000110.9K253S251-K253 PolarHBondContact O-N 2.86Å
252V38.3Very low47.2Very low87 Ų87110.8 Ų110.853%0.52759%0.592SS.*  trans-80.1104.5166-175.90000107.6G250 S254 L272G250-V252 PolarHBondContact O-N 3.26Å; V252-S254 PolarHBondContact O-N 3.38Å; V252-L272 HydrophobicContact CG2-CD2 4.41Å
253K31.4Very low44.4Very low187 Ų187113.3 Ų113.381%0.81361%0.614SS**  trans-65.4113.7171.9-68.2-178.4179.4179.70108.8S251 T255S251-K253 PolarHBondContact O-N 2.86Å; K253-T255 PolarHBondContact O-N 3.34Å
254S33Very low42.1Very low94 Ų94119.2 Ų119.266%0.65765%0.645SS**  trans-57.9116168.3-76.20000110.1V252 K256V252-S254 PolarHBondContact O-N 3.38Å; S254-K256 PolarHBondContact O-N 2.79Å
255T27.8Very low40.3Very low134 Ų134125 Ų12582%0.82267%0.67SS**  trans-69105.8155.234.70000107.6K253 S257K253-T255 PolarHBondContact O-N 3.34Å; T255-S257 PolarHBondContact O-N 3.49Å; T255-S257 VanDerWaalsContact O-N 3.1Å
256K28.4Very low38.7Very low205 Ų205125.3 Ų125.389%0.89168%0.676SS**  trans-60.4107.1167.5-76.4179.8174-1790108.3S254S254-K256 PolarHBondContact O-N 2.79Å
257S30.8Very low37.9Very low115 Ų115118.4 Ų118.480%0.80465%0.653SS**  trans-103.4114.3155.7500000107.6T255T255-S257 PolarHBondContact O-N 3.49Å; T255-S257 VanDerWaalsContact O-N 3.1Å
258T24.7Very low37Very low131 Ų131120.9 Ų120.980%0.80467%0.672SS**  trans-58.3149.8173.3-29.30000110.9
259Q29Very low36.5Very low172 Ų172119.6 Ų119.680%0.80467%0.665SS**SBendtrans91.496.8170.7-60.5179.7-3200116.7
260E25.2Very low35.8Very low184 Ų184118.3 Ų118.386%0.8667%0.665SS**  40.988.8127.7-63.1170-162.300116.7
261D27.1Very low35.7Very low153 Ų153120.1 Ų120.182%0.81867%0.669SS**  trans-170126.5138.8-100.5-26.6000110.3S263D261-S263 PolarHBondContact O-N 3.28Å; D261-S263 PolarHBondContact O-OG 3.31Å
262E25.8Very low36.1Very low207 Ų207116.9 Ų116.997%0.96764%0.642SS**  trans-57.596.8175.3-67.4-166.5151.600110.6
263S27.1Very low36Very low97 Ų97117.5 Ų117.568%0.67864%0.642SS**  trans-142.2124.217658.80000112.1D261 H265D261-S263 PolarHBondContact O-N 3.28Å; D261-S263 PolarHBondContact O-OG 3.31Å; S263-H265 PolarHBondContact O-N 2.74Å
264I37.6Very low35.9Very low125 Ų125112.8 Ų112.864%0.64164%0.638SS**  trans-56.3118.9179.3-63.1168.1000109.2N224 E266N224-I264 HydrophobicContact CB-CG2 4.29Å; I264-E266 PolarHBondContact O-N 2.64Å
265H41.1Very low36Very low133 Ų133113.1 Ų113.162%0.61664%0.64SS**  trans-65.4106.7178.9-98.9-78.4000111.1S263S263-H265 PolarHBondContact O-N 2.74Å
266E39.9Very low36.1Very low100 Ų100116.7 Ų116.747%0.46764%0.644SS.*EExtended strand (participates in β ladder)trans-92125.7178.2-169.3-178.5129.500110.6R226 I264R226-E266 WeakPolarHBondContact CD-OE1 3.48Å; R226-E266 HydrophobicContact CG-CG 4.34Å; R226-E266 IonicContact CZ-OE1 3.11Å; R226-E266 IonicContact CZ-OE2 2.64Å; R226-E266 IonicContact NE-OE1 2.95Å; R226-E266 PolarHBondContact NE-OE1 3.49Å; R226-E266 IonicContact NE-OE2 3.95Å; R226-E266 PolarHBondContact NE-OE2 3.24Å; R226-E266 IonicContact NH1-OE1 2.64Å; R226-E266 PolarHBondContact NH1-OE1 2.86Å; R226-E266 IonicContact NH1-OE2 2.84Å; R226-E266 IonicContact NH2-OE1 3.61Å; R226-E266 PolarHBondContact NH2-OE1 2.92Å; R226-E266 VanDerWaalsContact NH2-OE1 3.11Å; R226-E266 IonicContact NH2-OE2 2.69Å; R226-E266 PolarHBondContact NH2-OE2 3.11Å; I264-E266 PolarHBondContact O-N 2.64Å
267L53.5Low36.1Very low46 Ų46113.6 Ų113.624%0.24164%0.642CS.*EExtended strand (participates in β ladder)trans-115.7132.1175.8-66.5172000110.4I223 N224 R226I223-L267 HydrophobicContact CD1-CD1 4.44Å; N224-L267 PolarHBondContact O-N 3.48Å; R226-L267 PolarHBondContact N-O 2.8Å
268S51.7Low36.1Very low74 Ų74115.5 Ų115.552%0.51764%0.644SS.*EExtended strand (participates in β ladder)trans-95.4137.1166.4-179.30000109.1G270 S271S268-G270 PolarHBondContact O-N 3.34Å; S268-S271 PolarHBondContact O-N 3.08Å
269L55.4Low36.2Very low9 Ų9117.8 Ų117.85%0.04765%0.645CS.*G310 helixtrans-55.1-23180-100.781.5000113.4N171 T174 I225 L227 S271 L272N171-L269 HydrophobicContact CB-CD2 4.11Å; T174-L269 HydrophobicContact CG2-CD2 3.88Å; I225-L269 HydrophobicContact CG2-CD1 3.15Å; I225-L269 HydrophobicContact CG2-CG 4.49Å; L227-L269 HydrophobicContact CD2-CD1 3.73Å; L269-S271 PolarHBondContact O-N 3.11Å; L269-L272 HydrophobicContact CG-CD1 4.47Å; L269-L272 PolarHBondContact O-N 2.83Å
270G40.7Very low36.3Very low55 Ų55116.7 Ų116.757%0.56764%0.644SS**G310 helixtrans-57.3-29.6174.500000113.8S268S268-G270 PolarHBondContact O-N 3.34Å
271S46.9Very low36.4Very low94 Ų94115.3 Ų115.366%0.65764%0.643SS**G310 helixtrans-79.3-16.8176.7-75.70000114.3S268 L269 N273S268-S271 PolarHBondContact O-N 3.08Å; L269-S271 PolarHBondContact O-N 3.11Å; S271-N273 VanDerWaalsContact C-N 3.32Å
272L42.9Very low36.6Very low52 Ų52114.9 Ų114.927%0.27264%0.641SS.*G310 helixtrans-85.8-6.5177.6-69.1167.4000112.7V252 L269 A274V252-L272 HydrophobicContact CG2-CD2 4.41Å; L269-L272 HydrophobicContact CG-CD1 4.47Å; L269-L272 PolarHBondContact O-N 2.83Å; L272-A274 VanDerWaalsContact C-N 3.35Å
273N36.1Very low36.7Very low101 Ų101113 Ų11354%0.5464%0.636SS.*G310 helixtrans-89.94.4-178.8-68.1-8.2000113.5R178 S271 S275R178-N273 PolarHBondContact NH1-OD1 3.28Å; R178-N273 PolarHBondContact NH2-OD1 3.02Å; S271-N273 VanDerWaalsContact C-N 3.32Å; N273-S275 PolarHBondContact O-N 3.46Å
274A29.6Very low36.9Very low87 Ų87112.3 Ų112.372%0.71963%0.632SS**  trans-82.266.1177.400000111.3L272L272-A274 VanDerWaalsContact C-N 3.35Å
275S34.6Very low36.4Very low101 Ų101113.7 Ų113.771%0.70664%0.64SS**SBendtrans-147.896.7165.2-75.40000109.1N273N273-S275 PolarHBondContact O-N 3.46Å
276K29.1Very low36.1Very low209 Ų209112.6 Ų112.691%0.90965%0.647SS**  trans16.3100.8162.6-70.1179.3174.81800116.4
277V30.3Very low35.6Very low140 Ų140116 Ų11685%0.84866%0.661SS**  trans-144.3122.8142.2-155.50000108.6
278N29.4Very low34.3Very low156 Ų156120.9 Ų120.983%0.83468%0.682SS**  trans-55.4136.2175-99.2-9.2000110.7N280N278-N280 PolarHBondContact O-N 2.87Å
279E27.1Very low33.2Very low179 Ų179125 Ų12584%0.83669%0.693SS**  trans-54.9128155.2-61176.913100108.4
280N30.7Very low32.1Very low148 Ų148133.7 Ų133.779%0.79173%0.734SS**  trans177.7119.1143-82.6-22.2000109.6N278N278-N280 PolarHBondContact O-N 2.87Å
281D28.4Very low31.3Very low156 Ų156137 Ų13783%0.83474%0.743SS**  trans54.3128.1134.2-74.4-14.7000122.4
282D30.4Very low30.6Very low143 Ų143140.7 Ų140.777%0.76576%0.755SS**  trans111.9123.3130-152.726.4000117.8
283L28.9Very low29.8Very low167 Ų167144.6 Ų144.687%0.87478%0.78SS**  trans-101.394.4-175.2-174.199.1000106
284S29.7Very low29.6Very low84 Ų84144.6 Ų144.659%0.58779%0.788SS**  trans-155.4122.6171.8710000115.4
285L28.5Very low29.6Very low153 Ų153147.4 Ų147.480%0.80179%0.791SS**  trans77.3107.5134.7-59.9164.4000120.6
286S35Very low29.4Very low111 Ų111150.3 Ų150.378%0.77679%0.793SS**  -179.2117.8110.235.80000108.8
287F28.7Very low29.5Very low172 Ų172146.1 Ų146.175%0.75478%0.781SS**  47125.678.5-101.2-118.3000110.6
288Q27.4Very low29.6Very low147 Ų147147.2 Ų147.269%0.68778%0.777SS**  cis-176.9134.737.1-147.2161.410.500107.9
289Q28.4Very low29.9Very low161 Ų161141.6 Ų141.675%0.75275%0.75SS**  trans57.7103.7138-161.8165.719.500119.7
290Q30.6Very low30.3Very low191 Ų191139.5 Ų139.589%0.89374%0.74SS**  trans-156110132.6-108.3165.627.200111.2
291T24.7Very low30.8Very low124 Ų124136.2 Ų136.276%0.76173%0.729SS**  trans-74.4122162.543.10000109.1
292L31.6Very low32Very low173 Ų173135 Ų13591%0.90671%0.713SS**  trans-144131150.1-77-177.7000109.9
293V27.4Very low33.8Very low133 Ų133133.3 Ų133.381%0.80670%0.701SS**  trans-82.7135.5179.4171.30000109
294S31.2Very low36.1Very low102 Ų102126 Ų12671%0.71366%0.664SS**  trans153.5102.5149.153.60000107.6
295D28.6Very low38.8Very low145 Ų145127.9 Ų127.978%0.77566%0.659SS**  72128.489.3-86.8-25.8000113.7
296E31.4Very low41.8Very low162 Ų162121 Ų12176%0.75762%0.623SS**  trans93.4118.8153.2-66172.5-164.400120.9
297N31.3Very low44.5Very low122 Ų122116.2 Ų116.265%0.65259%0.59SS**  trans93.886.9143.9-58.4-20.3000117.5
298E33Very low47.5Very low162 Ų162108.2 Ų108.276%0.75756%0.555SS**  72.2116.780.4-79.8-163.3160.800112.1
299S36Very low50.3Low39 Ų39103.3 Ų103.327%0.27354%0.544SS..  trans-164.3118.9171.721.60000108.5H56 S301H56-S299 WeakPolarHBondContact CE1-CB 3.47Å; H56-S299 PolarHBondContact CE1-OG 3.2Å; H56-S299 PolarHBondContact ND1-OG 2.86Å; H56-S299 WeakPolarHBondContact NE2-CB 3.5Å; H56-S299 PolarHBondContact NE2-OG 3.26Å; S299-S301 PolarHBondContact O-N 3.21Å
300E34.5Very low53Low134 Ų13496.6 Ų96.663%0.62651%0.514SS*.  trans-77.791.9-146.8-63.5175.6165.400111
301S40.5Very low55.3Low79 Ų7992.4 Ų92.455%0.55250%0.498SS*.  trans-82.5109.7148.168.90000107.1S299 E303S299-S301 PolarHBondContact O-N 3.21Å; S301-E303 VanDerWaalsContact C-N 3.34Å; S301-E303 PolarHBondContact O-N 3.28Å
302Y53.9Low57.8Low131 Ų13190.2 Ų90.251%0.51448%0.478SS..  trans-55.997.5174.7-59.3-65.9000109.6A304 W326Y302-A304 PolarHBondContact O-N 2.81Å; Y302-W326 AromaticContact CD1-NE1 3.38Å; Y302-W326 AromaticContact CG-NE1 3.89Å
303E68.3Low60Low107 Ų10787.6 Ų87.650%0.547%0.465SS..  trans-86.6100.9-175.7-162.6-172.6152.200108.2S301 R305 K325 W326S301-E303 VanDerWaalsContact C-N 3.34Å; S301-E303 PolarHBondContact O-N 3.28Å; E303-R305 PolarHBondContact O-N 2.85Å; E303-K325 VanDerWaalsContact O-CA 3.28Å; E303-K325 WeakPolarHBondContact O-CA 3.49Å; E303-K325 WeakPolarHBondContact O-CB 3.29Å; E303-K325 IonicContact OE1-NZ 3.59Å; E303-K325 PolarHBondContact OE1-NZ 3.04Å; E303-K325 IonicContact OE2-NZ 3.98Å; E303-K325 PolarHBondContact OE2-NZ 2.79Å; E303-W326 PolarHBondContact O-N 3.48Å
304A77.6Confident62.3Low13 Ų1383 Ų8311%0.10744%0.435CS..BIsolated β-bridgetrans-69.1129.2171.900000110.1Y302 N311 W326Y302-A304 PolarHBondContact O-N 2.81Å; A304-N311 HydrophobicContact CB-CB 4.09Å; A304-N311 PolarHBondContact O-ND2 3.18Å; A304-N311 PolarHBondContact O-OD1 2.89Å; A304-W326 CarbonylContact C-O 3.57Å; A304-W326 VanDerWaalsContact CA-O 3.26Å; A304-W326 WeakPolarHBondContact CA-O 3.48Å; A304-W326 HydrophobicContact CB-CB 4.35Å
305R86.1Confident64.7Low124 Ų12481.6 Ų81.647%0.46844%0.438SS..  trans-141.192.7171.6-176.6-168.4176.81497.2109.1E303 K325 W326 Q327E303-R305 PolarHBondContact O-N 2.85Å; R305-K325 HydrophobicContact CB-CB 3.94Å; R305-K325 HydrophobicContact CB-CD 3.47Å; R305-K325 VanDerWaalsContact CB-CD 3.47Å; R305-K325 HydrophobicContact CB-CG 4.3Å; R305-K325 HydrophobicContact CG-CD 4.28Å; R305-W326 PolarHBondContact N-O 3.47Å; R305-Q327 PolarHBondContact O-NE2 2.89Å
306C90.9Very high67.4Low9 Ų976.6 Ų76.66%0.06141%0.412CS..  trans-98.4143.1178.3-169.90000111.8C308 G309 Q327 H328 C331C306-C308 PolarHBondContact O-N 3.29Å; C306-G309 PolarHBondContact O-N 3.07Å; C306-Q327 HydrophobicContact CB-CB 4.39Å; C306-H328 PolarHBondContact SG-N 3Å; C306-H328 PolarHBondContact SG-ND1 3.44Å; C306-C331 PolarHBondContact SG-SG 2.79Å
307P92.1Very high70.2Confident10 Ų1070.7 Ų70.77%0.06539%0.385CS..THydrogen-bonded Turntrans-56.9-17.317316.2-30000115.1G309 C331 F332 I367 R375 K376P307-G309 PolarHBondContact O-N 3.11Å; P307-C331 HydrophobicContact CG-CB 4.28Å; P307-F332 HydrophobicContact CG-CE1 4.38Å; P307-F332 HydrophobicContact CG-CE2 3.94Å; P307-F332 HydrophobicContact CG-CZ 3.67Å; P307-I367 HydrophobicContact CB-CD1 4.32Å; P307-I367 HydrophobicContact CG-CD1 3.97Å; P307-R375 VanDerWaalsContact CB-CD 3.48Å; P307-R375 HydrophobicContact CB-CG 3.78Å; P307-K376 WeakPolarHBondContact O-CG 3.34Å
308C92.4Very high73Confident4 Ų465.2 Ų65.23%0.02736%0.356CS..THydrogen-bonded Turntrans-70-16.6172.372.60000113.7C306 V310 H328 C379 L380 R383C306-C308 PolarHBondContact O-N 3.29Å; C308-V310 VanDerWaalsContact C-N 3.31Å; C308-V310 PolarHBondContact SG-N 3.2Å; C308-V310 VanDerWaalsContact SG-N 3.39Å; C308-H328 PolarHBondContact SG-ND1 3.16Å; C308-H328 VanDerWaalsContact SG-ND1 3.38Å; C308-C379 HydrophobicContact CB-CB 3.62Å; C308-L380 HydrophobicContact CB-CD2 4.06Å; C308-L380 HydrophobicContact CB-CG 4.19Å; C308-R383 PolarHBondContact SG-NH1 3.36Å
309G85.7Confident75.7Confident45 Ų4560.4 Ų60.446%0.46434%0.335SS..SBendtrans79.99.1-178.100000114.8C306 P307C306-G309 PolarHBondContact O-N 3.07Å; P307-G309 PolarHBondContact O-N 3.11Å
310V85.2Confident78.3Confident20 Ų2058.6 Ų58.612%0.12132%0.322CS..  trans-115.2127.9176.2179.70000108.5C308 K312 H328 L380 R383 L403 I405C308-V310 VanDerWaalsContact C-N 3.31Å; C308-V310 PolarHBondContact SG-N 3.2Å; C308-V310 VanDerWaalsContact SG-N 3.39Å; V310-K312 HydrophobicContact CG1-CB 3.81Å; V310-H328 PolarHBondContact O-CE1 2.93Å; V310-H328 VanDerWaalsContact O-CE1 3.31Å; V310-L380 HydrophobicContact CG2-CD2 4.02Å; V310-R383 VanDerWaalsContact CB-NH1 3.29Å; V310-L403 WeakPolarHBondContact CG1-O 3.36Å; V310-I405 HydrophobicContact CG2-CG2 3.64Å
311N79.1Confident80.9Confident102 Ų10255.7 Ų55.755%0.54531%0.311SS..  trans-10631.1-177.4-60.9-13.5000111.5A304A304-N311 HydrophobicContact CB-CB 4.09Å; A304-N311 PolarHBondContact O-ND2 3.18Å; A304-N311 PolarHBondContact O-OD1 2.89Å
312K77.9Confident83.1Confident79 Ų7952.2 Ų52.234%0.34329%0.288SS..  trans-84.4135.9171.5-176.4-177.4178.6-172.70107.1V310 D314 H328 R401 S402V310-K312 HydrophobicContact CG1-CB 3.81Å; K312-D314 PolarHBondContact O-N 3.12Å; K312-H328 PolarHBondContact O-CE1 3.32Å; K312-H328 PolarHBondContact O-NE2 3.27Å; K312-R401 PolarHBondContact NZ-O 3.29Å; K312-S402 PolarHBondContact NZ-O 2.92Å
313D77.6Confident84.8Confident118 Ų11847.9 Ų47.963%0.63128%0.276SS*.  trans-79.1113.2171.7-55.9-30000108.1M317D313-M317 WeakPolarHBondContact OD1-CE 3.49Å
314D75.2Confident85.7Confident35 Ų3547.7 Ų47.719%0.18728%0.278CS..  trans-151.1132.1177.462.1-62.5000111.6K312 H328 R383K312-D314 PolarHBondContact O-N 3.12Å; D314-H328 PolarHBondContact O-CD2 3.28Å; D314-H328 VanDerWaalsContact O-CD2 3.29Å; D314-H328 IonicContact OD1-CD2 3.66Å; D314-H328 PolarHBondContact OD1-CD2 3.42Å; D314-H328 IonicContact OD1-CE1 3.79Å; D314-H328 IonicContact OD1-NE2 2.73Å; D314-H328 PolarHBondContact OD1-NE2 3.06Å; D314-R383 IonicContact OD1-CZ 2.63Å; D314-R383 IonicContact OD1-NE 2.81Å; D314-R383 IonicContact OD1-NH2 3.74Å; D314-R383 PolarHBondContact OD1-NH2 3.28Å; D314-R383 IonicContact OD2-CZ 2.75Å; D314-R383 IonicContact OD2-NE 3.83Å; D314-R383 PolarHBondContact OD2-NE 3.45Å; D314-R383 IonicContact OD2-NH2 2.7Å; D314-R383 PolarHBondContact OD2-NH2 3.45Å
315G81.2Confident86.1Confident74 Ų7448.8 Ų48.876%0.76328%0.281SS*.SBendtrans71.3-157.2-173.800000112.8M317G315-M317 PolarHBondContact O-N 2.84Å
316V86.8Confident86.3Confident39 Ų3946.9 Ų46.924%0.23627%0.273CS..SBendtrans-71.2127.1177.5-1770000109.2A329 E337 V340V316-A329 HydrophobicContact CB-CB 3.86Å; V316-A329 HydrophobicContact CG1-CB 3.67Å; V316-A329 VanDerWaalsContact O-CB 3.25Å; V316-A329 WeakPolarHBondContact O-CB 3.27Å; V316-A329 PolarHBondContact O-N 3.03Å; V316-E337 HydrophobicContact CG2-CB 4.42Å; V316-V340 HydrophobicContact CG1-CG2 3.72Å
317M90.3Very high86.3Confident39 Ų3946.5 Ų46.519%0.19227%0.271CS..EExtended strand (participates in β ladder)trans-104.6143.7177.1-60.2-65.2-71.300109.7D313 G315 W326 Q327 H328D313-M317 WeakPolarHBondContact OD1-CE 3.49Å; G315-M317 PolarHBondContact O-N 2.84Å; M317-W326 HydrophobicContact CB-CE3 3.64Å; M317-W326 HydrophobicContact CB-CZ3 3.95Å; M317-W326 HydrophobicContact CE-CB 4.08Å; M317-Q327 CarbonylContact C-O 3.56Å; M317-Q327 VanDerWaalsContact CA-O 3.3Å; M317-Q327 WeakPolarHBondContact CA-O 3.4Å; M317-H328 PolarHBondContact SD-CD2 3.45Å
318I90.1Very high86.2Confident7 Ų746.1 Ų46.14%0.03627%0.268CS..EExtended strand (participates in β ladder)trans-128.1139.2179.8-164.1165.7000109.9Q327 A329 F332 I334 V340 P341 H344I318-Q327 HydrophobicContact CG2-CB 4.2Å; I318-Q327 PolarHBondContact N-O 2.82Å; I318-Q327 PolarHBondContact O-N 2.9Å; I318-A329 HydrophobicContact CB-CB 4.17Å; I318-A329 HydrophobicContact CG2-CB 4.26Å; I318-F332 HydrophobicContact CG2-CD2 4.24Å; I318-I334 HydrophobicContact CD1-CD1 3.59Å; I318-V340 HydrophobicContact CD1-CG1 3.86Å; I318-V340 HydrophobicContact CG1-CG1 4.12Å; I318-P341 HydrophobicContact CD1-CG 4.09Å; I318-H344 HydrophobicContact CD1-CB 3.41Å; I318-H344 VanDerWaalsContact CD1-CB 3.41Å; I318-H344 HydrophobicContact CG1-CB 3.69Å
319L89Confident86.3Confident61 Ų6145.9 Ų45.932%0.31927%0.267SS..EExtended strand (participates in β ladder)trans-93.9134.9179.2-173.567.7000109.6D324 W326 H344L319-D324 VanDerWaalsContact CD1-C 3.45Å; L319-D324 WeakPolarHBondContact CD1-O 3.42Å; L319-W326 HydrophobicContact CB-CE3 4.4Å; L319-W326 HydrophobicContact CB-CZ3 4.47Å; L319-W326 HydrophobicContact CD1-CD2 4.17Å; L319-W326 HydrophobicContact CD1-CG 4.19Å; L319-H344 PolarHBondContact O-CD2 2.81Å
320C91Very high86.6Confident0 Ų044.5 Ų44.50%025%0.249CC..  trans-87.7117.5175.4166.10000111.2G322 C323 D324 K325 H344 C346C320-G322 PolarHBondContact O-N 2.92Å; C320-G322 PolarHBondContact SG-N 2.99Å; C320-G322 VanDerWaalsContact SG-N 3.38Å; C320-C323 PolarHBondContact O-N 3.1Å; C320-D324 WeakPolarHBondContact O-CA 3.23Å; C320-D324 PolarHBondContact O-N 3.09Å; C320-K325 PolarHBondContact N-O 3.1Å; C320-H344 CarbonylContact C-O 3.33Å; C320-H344 WeakPolarHBondContact CA-O 3.4Å; C320-C346 HydrophobicContact CB-CB 3.96Å; C320-C346 PolarHBondContact SG-N 3.45Å
321D89.4Confident87.1Confident74 Ų7443.5 Ų43.540%0.39624%0.243SC..THydrogen-bonded Turntrans-61.6-14.8179.8-60.3-21.2000114S343 H344D321-S343 VanDerWaalsContact OD2-CA 3.23Å; D321-S343 WeakPolarHBondContact OD2-CA 3.22Å; D321-S343 VanDerWaalsContact OD2-CB 3.27Å; D321-S343 WeakPolarHBondContact OD2-CB 3.39Å; D321-S343 PolarHBondContact OD2-OG 3.43Å; D321-H344 PolarHBondContact N-O 2.63Å; D321-H344 PolarHBondContact OD2-N 3.22Å
322G85.5Confident87.8Confident6 Ų638.9 Ų38.96%0.06222%0.218CC..THydrogen-bonded Turntrans-92.2-20.7-179.800000116C320 K353 L356C320-G322 PolarHBondContact O-N 2.92Å; C320-G322 PolarHBondContact SG-N 2.99Å; C320-G322 VanDerWaalsContact SG-N 3.38Å; G322-K353 PolarHBondContact O-NZ 2.89Å; G322-L356 VanDerWaalsContact CA-CD1 3.42Å
323C89.5Confident88.5Confident40 Ų4036.5 Ų36.527%0.2721%0.207SC..THydrogen-bonded Turntrans-145.91.4-175.5670000114.8C320 K325 C349C320-C323 PolarHBondContact O-N 3.1Å; C323-K325 HydrophobicContact CB-CG 4.37Å; C323-K325 WeakPolarHBondContact O-CG 3.47Å; C323-K325 PolarHBondContact O-N 2.7Å; C323-K325 VanDerWaalsContact O-N 3.08Å; C323-C349 VanDerWaalsContact CB-SG 3.54Å
324D86.5Confident89.1Confident102 Ų10231.3 Ų31.355%0.54518%0.179SC..  trans57.426.3175.7-49.5-53.9000114L319 C320L319-D324 VanDerWaalsContact CD1-C 3.45Å; L319-D324 WeakPolarHBondContact CD1-O 3.42Å; C320-D324 WeakPolarHBondContact O-CA 3.23Å; C320-D324 PolarHBondContact O-N 3.09Å
325K86Confident89.7Confident37 Ų3732.3 Ų32.316%0.16118%0.184CC..  trans-97.6135.4175.7-57.1-157.9-169-133.10111E303 R305 C320 C323 Q327E303-K325 VanDerWaalsContact O-CA 3.28Å; E303-K325 WeakPolarHBondContact O-CA 3.49Å; E303-K325 WeakPolarHBondContact O-CB 3.29Å; E303-K325 IonicContact OE1-NZ 3.59Å; E303-K325 PolarHBondContact OE1-NZ 3.04Å; E303-K325 IonicContact OE2-NZ 3.98Å; E303-K325 PolarHBondContact OE2-NZ 2.79Å; R305-K325 HydrophobicContact CB-CB 3.94Å; R305-K325 HydrophobicContact CB-CD 3.47Å; R305-K325 VanDerWaalsContact CB-CD 3.47Å; R305-K325 HydrophobicContact CB-CG 4.3Å; R305-K325 HydrophobicContact CG-CD 4.28Å; C320-K325 PolarHBondContact N-O 3.1Å; C323-K325 HydrophobicContact CB-CG 4.37Å; C323-K325 WeakPolarHBondContact O-CG 3.47Å; C323-K325 PolarHBondContact O-N 2.7Å; C323-K325 VanDerWaalsContact O-N 3.08Å; K325-Q327 WeakPolarHBondContact O-CG 3.35Å
326W90.4Very high89.9Confident83 Ų8335.2 Ų35.231%0.31418%0.178SC..EExtended strand (participates in β ladder)trans-75.7142.9175.7-73.593000111.8Y302 E303 A304 R305 M317 L319Y302-W326 AromaticContact CD1-NE1 3.38Å; Y302-W326 AromaticContact CG-NE1 3.89Å; E303-W326 PolarHBondContact O-N 3.48Å; A304-W326 CarbonylContact C-O 3.57Å; A304-W326 VanDerWaalsContact CA-O 3.26Å; A304-W326 WeakPolarHBondContact CA-O 3.48Å; A304-W326 HydrophobicContact CB-CB 4.35Å; R305-W326 PolarHBondContact N-O 3.47Å; M317-W326 HydrophobicContact CB-CE3 3.64Å; M317-W326 HydrophobicContact CB-CZ3 3.95Å; M317-W326 HydrophobicContact CE-CB 4.08Å; L319-W326 HydrophobicContact CB-CE3 4.4Å; L319-W326 HydrophobicContact CB-CZ3 4.47Å; L319-W326 HydrophobicContact CD1-CD2 4.17Å; L319-W326 HydrophobicContact CD1-CG 4.19Å
327Q90.8Very high89.8Confident2 Ų241 Ų411%0.00920%0.202CC..EExtended strand (participates in β ladder)trans-144.1157.9-174.8-33.7-170.4-72.400110R305 C306 M317 I318 K325 A329 F332 H344R305-Q327 PolarHBondContact O-NE2 2.89Å; C306-Q327 HydrophobicContact CB-CB 4.39Å; M317-Q327 CarbonylContact C-O 3.56Å; M317-Q327 VanDerWaalsContact CA-O 3.3Å; M317-Q327 WeakPolarHBondContact CA-O 3.4Å; I318-Q327 HydrophobicContact CG2-CB 4.2Å; I318-Q327 PolarHBondContact N-O 2.82Å; I318-Q327 PolarHBondContact O-N 2.9Å; K325-Q327 WeakPolarHBondContact O-CG 3.35Å; Q327-A329 PolarHBondContact O-N 3.49Å; Q327-F332 HydrophobicContact CB-CD2 4.46Å; Q327-F332 HydrophobicContact CB-CE2 3.71Å; Q327-F332 HydrophobicContact CG-CE2 4.26Å; Q327-H344 PolarHBondContact OE1-NE2 2.84Å
328H91.9Very high89.5Confident1 Ų142.9 Ų42.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-73.2123.5173.9-55.5112.8000110.1C306 C308 V310 K312 D314 M317 V330 C331C306-H328 PolarHBondContact SG-N 3Å; C306-H328 PolarHBondContact SG-ND1 3.44Å; C308-H328 PolarHBondContact SG-ND1 3.16Å; C308-H328 VanDerWaalsContact SG-ND1 3.38Å; V310-H328 PolarHBondContact O-CE1 2.93Å; V310-H328 VanDerWaalsContact O-CE1 3.31Å; K312-H328 PolarHBondContact O-CE1 3.32Å; K312-H328 PolarHBondContact O-NE2 3.27Å; D314-H328 PolarHBondContact O-CD2 3.28Å; D314-H328 VanDerWaalsContact O-CD2 3.29Å; D314-H328 IonicContact OD1-CD2 3.66Å; D314-H328 PolarHBondContact OD1-CD2 3.42Å; D314-H328 IonicContact OD1-CE1 3.79Å; D314-H328 IonicContact OD1-NE2 2.73Å; D314-H328 PolarHBondContact OD1-NE2 3.06Å; M317-H328 PolarHBondContact SD-CD2 3.45Å; H328-V330 HydrophobicContact CB-CG1 3.91Å; H328-V330 PolarHBondContact O-N 3.28Å; H328-C331 HydrophobicContact CB-CB 4.19Å; H328-C331 VanDerWaalsContact O-CB 3.31Å; H328-C331 WeakPolarHBondContact O-CB 3.23Å; H328-C331 PolarHBondContact O-N 2.8Å
329A92.4Very high89.2Confident0 Ų047.2 Ų47.20%026%0.255CS..G310 helixtrans-58.6-37.8177.600000111.2V316 I318 Q327 C331 F332 R333 I334V316-A329 HydrophobicContact CB-CB 3.86Å; V316-A329 HydrophobicContact CG1-CB 3.67Å; V316-A329 VanDerWaalsContact O-CB 3.25Å; V316-A329 WeakPolarHBondContact O-CB 3.27Å; V316-A329 PolarHBondContact O-N 3.03Å; I318-A329 HydrophobicContact CB-CB 4.17Å; I318-A329 HydrophobicContact CG2-CB 4.26Å; Q327-A329 PolarHBondContact O-N 3.49Å; A329-C331 PolarHBondContact O-N 3.47Å; A329-F332 CarbonylContact O-C 3.19Å; A329-F332 WeakPolarHBondContact O-CA 3.22Å; A329-F332 PolarHBondContact O-N 2.87Å; A329-R333 PolarHBondContact O-N 2.87Å; A329-I334 CarbonylContact C-O 3.54Å; A329-I334 HydrophobicContact CB-CB 3.81Å; A329-I334 HydrophobicContact CB-CD1 4.5Å; A329-I334 HydrophobicContact CB-CG2 3.88Å; A329-I334 WeakPolarHBondContact O-CB 3.36Å; A329-I334 PolarHBondContact O-N 2.62Å
330V93.5Very high89.1Confident15 Ų1546.9 Ų46.99%0.09126%0.255CS..G310 helixtrans-60.6-28.2176.163.50000113.3H328 F332 R333 I334 L335 R382 R383 A386 F449H328-V330 HydrophobicContact CB-CG1 3.91Å; H328-V330 PolarHBondContact O-N 3.28Å; V330-F332 PolarHBondContact O-N 2.85Å; V330-R333 PolarHBondContact O-N 2.84Å; V330-R333 VanDerWaalsContact O-N 3.17Å; V330-I334 WeakPolarHBondContact CA-O 3.35Å; V330-I334 PolarHBondContact N-O 3.3Å; V330-L335 HydrophobicContact CG2-CD2 4.2Å; V330-R382 HydrophobicContact CG2-CB 4.18Å; V330-R382 WeakPolarHBondContact O-CD 3.41Å; V330-R383 HydrophobicContact CG1-CG 3.49Å; V330-R383 VanDerWaalsContact CG1-CG 3.49Å; V330-A386 HydrophobicContact CG2-CB 3.73Å; V330-F449 HydrophobicContact CG2-CE1 3.62Å; V330-F449 HydrophobicContact CG2-CZ 3.97Å
331C94.6Very high88.9Confident0 Ų048.7 Ų48.70%027%0.267CS..G310 helixtrans-68-23.3174.5-70.60000112.1C306 P307 H328 A329 C379 R382C306-C331 PolarHBondContact SG-SG 2.79Å; P307-C331 HydrophobicContact CG-CB 4.28Å; H328-C331 HydrophobicContact CB-CB 4.19Å; H328-C331 VanDerWaalsContact O-CB 3.31Å; H328-C331 WeakPolarHBondContact O-CB 3.23Å; H328-C331 PolarHBondContact O-N 2.8Å; A329-C331 PolarHBondContact O-N 3.47Å; C331-C379 HydrophobicContact CB-CB 4Å; C331-C379 VanDerWaalsContact SG-CB 3.59Å; C331-R382 PolarHBondContact O-NH1 3.45Å
332F93.7Very high88.8Confident4 Ų452.4 Ų52.42%0.01829%0.293CS..G310 helixtrans-104.422.5174.7-62.8-84.2000112.9P307 I318 Q327 A329 V330 I334 H344 C346 D364 I367P307-F332 HydrophobicContact CG-CE1 4.38Å; P307-F332 HydrophobicContact CG-CE2 3.94Å; P307-F332 HydrophobicContact CG-CZ 3.67Å; I318-F332 HydrophobicContact CG2-CD2 4.24Å; Q327-F332 HydrophobicContact CB-CD2 4.46Å; Q327-F332 HydrophobicContact CB-CE2 3.71Å; Q327-F332 HydrophobicContact CG-CE2 4.26Å; A329-F332 CarbonylContact O-C 3.19Å; A329-F332 WeakPolarHBondContact O-CA 3.22Å; A329-F332 PolarHBondContact O-N 2.87Å; V330-F332 PolarHBondContact O-N 2.85Å; F332-I334 VanDerWaalsContact C-N 3.32Å; F332-I334 HydrophobicContact CB-CD1 4.43Å; F332-I334 PolarHBondContact O-N 3.45Å; F332-H344 AromaticContact CD1-CE1 3.45Å; F332-H344 VanDerWaalsContact CD1-CE1 3.45Å; F332-H344 WeakPolarHBondContact CD1-CE1 3.03Å; F332-H344 AromaticContact CD2-CE1 3.59Å; F332-H344 AromaticContact CD2-NE2 3.77Å; F332-H344 AromaticContact CE1-CE1 3.64Å; F332-H344 AromaticContact CE2-CE1 3.82Å; F332-H344 AromaticContact CE2-NE2 3.68Å; F332-H344 AromaticContact CG-CE1 3.4Å; F332-H344 WeakPolarHBondContact CG-CE1 3.13Å; F332-H344 AromaticContact CZ-CE1 3.83Å; F332-H344 AromaticContact CZ-NE2 3.83Å; F332-C346 HydrophobicContact CZ-CB 4.27Å; F332-D364 HydrophobicContact CB-CB 4.45Å; F332-D364 HydrophobicContact CD1-CB 4.05Å; F332-I367 HydrophobicContact CD1-CD1 3.91Å; F332-I367 HydrophobicContact CE1-CD1 3.67Å; F332-I367 HydrophobicContact CZ-CD1 4.35Å
333R93.6Very high89Confident29 Ų2953.2 Ų53.211%0.10930%0.298CS..THydrogen-bonded Turntrans74.611.7174.5-49.9178.279.8-169.91.7115.9A329 V330 D364 F448 F449 S450A329-R333 PolarHBondContact O-N 2.87Å; V330-R333 PolarHBondContact O-N 2.84Å; V330-R333 VanDerWaalsContact O-N 3.17Å; R333-D364 WeakPolarHBondContact CD-OD1 3.46Å; R333-D364 WeakPolarHBondContact CG-OD2 3.42Å; R333-F448 PolarHBondContact NE-O 3.32Å; R333-F449 HydrophobicContact CB-CD1 4.35Å; R333-S450 PolarHBondContact NH1-O 3.11Å; R333-S450 VanDerWaalsContact NH1-O 3.07Å; R333-S450 VanDerWaalsContact NH2-C 3.35Å; R333-S450 PolarHBondContact NH2-O 2.95Å
334I90.6Very high89.1Confident10 Ų1051.5 Ų51.55%0.05129%0.286CS..  trans-96.7116-179.7-60.1158.7000108.7I318 A329 V330 F332 Q336 D339 V340 P341I318-I334 HydrophobicContact CD1-CD1 3.59Å; A329-I334 CarbonylContact C-O 3.54Å; A329-I334 HydrophobicContact CB-CB 3.81Å; A329-I334 HydrophobicContact CB-CD1 4.5Å; A329-I334 HydrophobicContact CB-CG2 3.88Å; A329-I334 WeakPolarHBondContact O-CB 3.36Å; A329-I334 PolarHBondContact O-N 2.62Å; V330-I334 WeakPolarHBondContact CA-O 3.35Å; V330-I334 PolarHBondContact N-O 3.3Å; F332-I334 VanDerWaalsContact C-N 3.32Å; F332-I334 HydrophobicContact CB-CD1 4.43Å; F332-I334 PolarHBondContact O-N 3.45Å; I334-Q336 WeakPolarHBondContact CG2-O 3.43Å; I334-D339 HydrophobicContact CG2-CB 3.89Å; I334-V340 HydrophobicContact CG2-CG2 3.88Å; I334-P341 VanDerWaalsContact CD1-CD 3.44Å; I334-P341 HydrophobicContact CD1-CG 4.17Å
335L87Confident89.4Confident56 Ų5646.7 Ų46.729%0.29326%0.26SS..  trans-91.2-40.3-176.5-76.9174.6000112.9V330 A386 L389 F449V330-L335 HydrophobicContact CG2-CD2 4.2Å; L335-A386 HydrophobicContact CD2-CB 4.04Å; L335-L389 HydrophobicContact CD1-CD1 4.49Å; L335-L389 HydrophobicContact CD2-CD1 4.37Å; L335-F449 HydrophobicContact CD1-CB 4.08Å; L335-F449 HydrophobicContact CD1-CD1 4.27Å; L335-F449 HydrophobicContact CD1-CD2 3.67Å; L335-F449 HydrophobicContact CD1-CE2 4.19Å; L335-F449 HydrophobicContact CD1-CG 3.74Å; L335-F449 HydrophobicContact CD2-CD1 3.91Å; L335-F449 HydrophobicContact CD2-CD2 4.06Å; L335-F449 HydrophobicContact CD2-CE1 3.68Å; L335-F449 HydrophobicContact CD2-CE2 3.82Å; L335-F449 HydrophobicContact CD2-CG 4.13Å; L335-F449 HydrophobicContact CD2-CZ 3.63Å; L335-F449 HydrophobicContact CG-CB 4.36Å; L335-F449 HydrophobicContact CG-CD1 3.81Å; L335-F449 HydrophobicContact CG-CD2 4.05Å; L335-F449 HydrophobicContact CG-CE1 4.13Å; L335-F449 HydrophobicContact CG-CE2 4.33Å; L335-F449 HydrophobicContact CG-CG 3.81Å; L335-F449 HydrophobicContact CG-CZ 4.38Å
336Q85.8Confident89.7Confident134 Ų13445 Ų4563%0.62625%0.253SS*.SBendtrans-117.2155.9-173.3-56.4-175.39.900110.7I334 G338 D339I334-Q336 WeakPolarHBondContact CG2-O 3.43Å; Q336-G338 PolarHBondContact O-N 2.88Å; Q336-D339 PolarHBondContact O-N 3.04Å; Q336-D339 VanDerWaalsContact O-N 3.11Å
337E83.8Confident89.8Confident161 Ų16141.5 Ų41.575%0.75224%0.24SC*.G310 helixtrans-61.6-33.8178.6-171.8174.2-177.900112.2V316 D339 V340V316-E337 HydrophobicContact CG2-CB 4.42Å; E337-D339 PolarHBondContact O-N 3.08Å; E337-V340 WeakPolarHBondContact O-CB 3.35Å; E337-V340 VanDerWaalsContact O-CG2 3.3Å; E337-V340 WeakPolarHBondContact O-CG2 3.04Å; E337-V340 PolarHBondContact O-N 3.04Å
338G83.7Confident89.8Confident79 Ų7943.4 Ų43.481%0.81425%0.25SC*.G310 helixtrans-66.7-17.9176.200000114.9Q336Q336-G338 PolarHBondContact O-N 2.88Å
339D85.6Confident89.8Confident98 Ų9843.7 Ų43.752%0.52425%0.252SS..G310 helixtrans-92.3-0.3178.5-60.8-39.5000112.4I334 Q336 E337 P341I334-D339 HydrophobicContact CG2-CB 3.89Å; Q336-D339 PolarHBondContact O-N 3.04Å; Q336-D339 VanDerWaalsContact O-N 3.11Å; E337-D339 PolarHBondContact O-N 3.08Å; D339-P341 WeakPolarHBondContact O-CD 3.33Å
340V86Confident89.7Confident53 Ų5344 Ų4432%0.32125%0.254SS..  trans-68.6120-179.4175.70000109.1V316 I318 I334 E337V316-V340 HydrophobicContact CG1-CG2 3.72Å; I318-V340 HydrophobicContact CD1-CG1 3.86Å; I318-V340 HydrophobicContact CG1-CG1 4.12Å; I334-V340 HydrophobicContact CG2-CG2 3.88Å; E337-V340 WeakPolarHBondContact O-CB 3.35Å; E337-V340 VanDerWaalsContact O-CG2 3.3Å; E337-V340 WeakPolarHBondContact O-CG2 3.04Å; E337-V340 PolarHBondContact O-N 3.04Å
341P87.4Confident89.5Confident38 Ų3848.6 Ų48.625%0.24727%0.273CS..  trans-67.9155.9179.729.4-35.6000110.9I318 I334 D339 S343 H344 T362I318-P341 HydrophobicContact CD1-CG 4.09Å; I334-P341 VanDerWaalsContact CD1-CD 3.44Å; I334-P341 HydrophobicContact CD1-CG 4.17Å; D339-P341 WeakPolarHBondContact O-CD 3.33Å; P341-S343 PolarHBondContact O-N 2.84Å; P341-H344 HydrophobicContact CG-CB 4.32Å; P341-T362 HydrophobicContact CB-CG2 4.33Å; P341-T362 VanDerWaalsContact CB-OG1 3.3Å; P341-T362 WeakPolarHBondContact CB-OG1 3.32Å; P341-T362 WeakPolarHBondContact CG-OG1 3.44Å
342T86.3Confident89.2Confident153 Ų15354.9 Ų54.994%0.93931%0.306SS*.SBendtrans-64.8-24.7177.553.10000113.5
343S89.5Confident88.9Confident23 Ų2359.8 Ų59.816%0.16133%0.327CS..SBendtrans-140.6126.2177.11780000109.9D321 P341 G361 T362D321-S343 VanDerWaalsContact OD2-CA 3.23Å; D321-S343 WeakPolarHBondContact OD2-CA 3.22Å; D321-S343 VanDerWaalsContact OD2-CB 3.27Å; D321-S343 WeakPolarHBondContact OD2-CB 3.39Å; D321-S343 PolarHBondContact OD2-OG 3.43Å; P341-S343 PolarHBondContact O-N 2.84Å; S343-G361 VanDerWaalsContact OG-CA 3.29Å; S343-G361 WeakPolarHBondContact OG-CA 3.41Å; S343-T362 PolarHBondContact O-N 3.39Å; S343-T362 PolarHBondContact O-OG1 3.02Å
344H92.1Very high88.6Confident4 Ų461.7 Ų61.72%0.01934%0.344CS..BIsolated β-bridgetrans-128.1137-176.5171.363.8000111I318 L319 C320 D321 Q327 F332 P341I318-H344 HydrophobicContact CD1-CB 3.41Å; I318-H344 VanDerWaalsContact CD1-CB 3.41Å; I318-H344 HydrophobicContact CG1-CB 3.69Å; L319-H344 PolarHBondContact O-CD2 2.81Å; C320-H344 CarbonylContact C-O 3.33Å; C320-H344 WeakPolarHBondContact CA-O 3.4Å; D321-H344 PolarHBondContact N-O 2.63Å; D321-H344 PolarHBondContact OD2-N 3.22Å; Q327-H344 PolarHBondContact OE1-NE2 2.84Å; F332-H344 AromaticContact CD1-CE1 3.45Å; F332-H344 VanDerWaalsContact CD1-CE1 3.45Å; F332-H344 WeakPolarHBondContact CD1-CE1 3.03Å; F332-H344 AromaticContact CD2-CE1 3.59Å; F332-H344 AromaticContact CD2-NE2 3.77Å; F332-H344 AromaticContact CE1-CE1 3.64Å; F332-H344 AromaticContact CE2-CE1 3.82Å; F332-H344 AromaticContact CE2-NE2 3.68Å; F332-H344 AromaticContact CG-CE1 3.4Å; F332-H344 WeakPolarHBondContact CG-CE1 3.13Å; F332-H344 AromaticContact CZ-CE1 3.83Å; F332-H344 AromaticContact CZ-NE2 3.83Å; P341-H344 HydrophobicContact CG-CB 4.32Å
345V91.9Very high88.4Confident0 Ų066.4 Ų66.40%037%0.365CS..  trans-129.8125.8-178.9-1720000109.1C349 A350 L356 L357 T362 T363V345-C349 HydrophobicContact CG1-CB 3.47Å; V345-C349 VanDerWaalsContact CG1-CB 3.47Å; V345-A350 HydrophobicContact CG1-CB 4.22Å; V345-L356 HydrophobicContact CG1-CB 4.38Å; V345-L356 HydrophobicContact CG1-CD1 4.14Å; V345-L356 HydrophobicContact CG2-CB 3.86Å; V345-L356 HydrophobicContact CG2-CD1 4.47Å; V345-L357 HydrophobicContact CB-CD2 4.11Å; V345-L357 HydrophobicContact CG1-CD2 4.48Å; V345-L357 HydrophobicContact CG2-CD2 4.26Å; V345-T362 PolarHBondContact N-O 2.74Å; V345-T363 WeakPolarHBondContact O-CB 3.11Å; V345-T363 PolarHBondContact O-OG1 2.83Å
346C93.1Very high88.3Confident2 Ų265.7 Ų65.71%0.01436%0.362CS..  trans-63.1162.6176.2750000112.1C320 F332 I348 C349 A350C320-C346 HydrophobicContact CB-CB 3.96Å; C320-C346 PolarHBondContact SG-N 3.45Å; F332-C346 HydrophobicContact CZ-CB 4.27Å; C346-I348 PolarHBondContact O-N 2.75Å; C346-I348 VanDerWaalsContact O-N 3.1Å; C346-C349 PolarHBondContact O-N 3.48Å; C346-C349 VanDerWaalsContact SG-CB 3.57Å; C346-C349 PolarHBondContact SG-N 3.39Å; C346-C349 PolarHBondContact SG-SG 3.3Å; C346-A350 VanDerWaalsContact O-CB 3.24Å; C346-A350 WeakPolarHBondContact O-CB 3.45Å; C346-A350 PolarHBondContact O-N 3.42Å
347E92.3Very high88.3Confident9 Ų962.1 Ų62.14%0.04235%0.347CS..Hα-helixtrans-64.9-20.6-177.384.5-70.5-17500113.6K351 I367 Q368 R375E347-K351 WeakPolarHBondContact O-CG 3.35Å; E347-I367 HydrophobicContact CB-CD1 4.13Å; E347-I367 HydrophobicContact CB-CG1 4.32Å; E347-Q368 HydrophobicContact CB-CG 4.31Å; E347-R375 VanDerWaalsContact CG-NH1 3.26Å; E347-R375 IonicContact OE1-CZ 3.86Å; E347-R375 IonicContact OE1-NH1 2.93Å; E347-R375 PolarHBondContact OE1-NH1 3.01Å
348I90.9Very high88.2Confident42 Ų4263.9 Ų63.922%0.21535%0.346CS..Hα-helixtrans-82.5-49.2176.2-61.1174.8000109.8C346 A350 K351 L352C346-I348 PolarHBondContact O-N 2.75Å; C346-I348 VanDerWaalsContact O-N 3.1Å; I348-A350 VanDerWaalsContact C-N 3.29Å; I348-A350 PolarHBondContact O-N 3.25Å; I348-K351 PolarHBondContact O-N 3.29Å; I348-K351 VanDerWaalsContact O-N 3.14Å; I348-L352 HydrophobicContact CG2-CD1 3.66Å; I348-L352 HydrophobicContact CG2-CG 4.26Å; I348-L352 WeakPolarHBondContact O-CG 3.36Å; I348-L352 PolarHBondContact O-N 2.91Å
349C91.8Very high88.1Confident8 Ų865.5 Ų65.55%0.05434%0.34CS..Hα-helixtrans-65.2-34.9177.6-700000111.6C323 V345 C346 K351 L352 K353C323-C349 VanDerWaalsContact CB-SG 3.54Å; V345-C349 HydrophobicContact CG1-CB 3.47Å; V345-C349 VanDerWaalsContact CG1-CB 3.47Å; C346-C349 PolarHBondContact O-N 3.48Å; C346-C349 VanDerWaalsContact SG-CB 3.57Å; C346-C349 PolarHBondContact SG-N 3.39Å; C346-C349 PolarHBondContact SG-SG 3.3Å; C349-K351 PolarHBondContact O-N 3.22Å; C349-L352 PolarHBondContact O-N 3.31Å; C349-K353 CarbonylContact O-C 3.55Å; C349-K353 WeakPolarHBondContact O-CA 3.33Å; C349-K353 WeakPolarHBondContact O-CB 3.36Å; C349-K353 PolarHBondContact O-N 3.46Å
350A90.4Very high88.1Confident6 Ų663 Ų635%0.0534%0.337CS..Hα-helixtrans-58-36.8173.500000112V345 C346 I348 L357 T363V345-A350 HydrophobicContact CG1-CB 4.22Å; C346-A350 VanDerWaalsContact O-CB 3.24Å; C346-A350 WeakPolarHBondContact O-CB 3.45Å; C346-A350 PolarHBondContact O-N 3.42Å; I348-A350 VanDerWaalsContact C-N 3.29Å; I348-A350 PolarHBondContact O-N 3.25Å; A350-L357 HydrophobicContact CB-CD1 4.09Å; A350-L357 HydrophobicContact CB-CD2 4.21Å; A350-L357 HydrophobicContact CB-CG 4.48Å; A350-T363 HydrophobicContact CB-CG2 3.93Å
351K88.7Confident88Confident112 Ų11260.8 Ų60.849%0.48733%0.326SS..Hα-helixtrans-79.8-41.3176.5-70.9-176.6-178.5-165.80113.5E347 I348 C349 Q368E347-K351 WeakPolarHBondContact O-CG 3.35Å; I348-K351 PolarHBondContact O-N 3.29Å; I348-K351 VanDerWaalsContact O-N 3.14Å; C349-K351 PolarHBondContact O-N 3.22Å; K351-Q368 WeakPolarHBondContact CE-O 3.22Å; K351-Q368 PolarHBondContact NZ-O 2.9Å
352L89Confident88.1Confident132 Ų13262 Ų6269%0.69133%0.333SS*.Hα-helixtrans-81.8-29-174.2-66179.1000113I348 C349I348-L352 HydrophobicContact CG2-CD1 3.66Å; I348-L352 HydrophobicContact CG2-CG 4.26Å; I348-L352 WeakPolarHBondContact O-CG 3.36Å; I348-L352 PolarHBondContact O-N 2.91Å; C349-L352 PolarHBondContact O-N 3.31Å
353K88.3Confident88.3Confident106 Ų10656 Ų5646%0.46130%0.296SS..  trans-132.866.8-174.2-59.7179.5179.6179.80109.6G322 C349 E355 L356G322-K353 PolarHBondContact O-NZ 2.89Å; C349-K353 CarbonylContact O-C 3.55Å; C349-K353 WeakPolarHBondContact O-CA 3.33Å; C349-K353 WeakPolarHBondContact O-CB 3.36Å; C349-K353 PolarHBondContact O-N 3.46Å; K353-E355 PolarHBondContact O-N 3.1Å; K353-L356 HydrophobicContact CB-CD1 3.77Å; K353-L356 HydrophobicContact CB-CG 4Å; K353-L356 HydrophobicContact CD-CD1 3.86Å; K353-L356 HydrophobicContact CG-CD1 4.48Å; K353-L356 WeakPolarHBondContact O-CB 3.34Å; K353-L356 PolarHBondContact O-N 2.88Å
354P86Confident88.4Confident70 Ų7055.1 Ų55.146%0.45529%0.29SS..THydrogen-bonded Turntrans-59.3-21.8-177.924.6-34.6000113.4L356 L357 R358P354-L356 PolarHBondContact O-N 3.2Å; P354-L357 WeakPolarHBondContact O-CB 3.5Å; P354-L357 PolarHBondContact O-N 3.11Å; P354-L357 VanDerWaalsContact O-N 3.11Å; P354-R358 PolarHBondContact O-N 3.4Å
355E86.8Confident88.2Confident108 Ų10861.9 Ų61.951%0.50532%0.321SS..Hα-helixtrans-58.9-32.4174.5-49.8-57.7163.600112.9K353 L357 R358 T359K353-E355 PolarHBondContact O-N 3.1Å; E355-L357 PolarHBondContact O-N 3.36Å; E355-R358 WeakPolarHBondContact O-CB 3.34Å; E355-R358 PolarHBondContact O-N 3.16Å; E355-R358 WeakPolarHBondContact OE2-CD 3.45Å; E355-R358 IonicContact OE2-CZ 3.67Å; E355-R358 IonicContact OE2-NE 3.92Å; E355-R358 IonicContact OE2-NH1 2.73Å; E355-R358 PolarHBondContact OE2-NH1 3.35Å; E355-T359 PolarHBondContact O-N 3.27Å; E355-T359 VanDerWaalsContact O-N 3.11Å; E355-T359 PolarHBondContact O-OG1 3.18Å
356L84.4Confident88.1Confident42 Ų4264.5 Ų64.522%0.2234%0.337CS..Hα-helixtrans-63.7-32177.3-65.4175.5000112G322 V345 K353 P354 T359 G361G322-L356 VanDerWaalsContact CA-CD1 3.42Å; V345-L356 HydrophobicContact CG1-CB 4.38Å; V345-L356 HydrophobicContact CG1-CD1 4.14Å; V345-L356 HydrophobicContact CG2-CB 3.86Å; V345-L356 HydrophobicContact CG2-CD1 4.47Å; K353-L356 HydrophobicContact CB-CD1 3.77Å; K353-L356 HydrophobicContact CB-CG 4Å; K353-L356 HydrophobicContact CD-CD1 3.86Å; K353-L356 HydrophobicContact CG-CD1 4.48Å; K353-L356 WeakPolarHBondContact O-CB 3.34Å; K353-L356 PolarHBondContact O-N 2.88Å; P354-L356 PolarHBondContact O-N 3.2Å; L356-T359 WeakPolarHBondContact CA-OG1 3.29Å; L356-T359 PolarHBondContact O-N 3.03Å; L356-T359 PolarHBondContact O-OG1 3.17Å; L356-G361 VanDerWaalsContact O-CA 3.24Å; L356-G361 WeakPolarHBondContact O-CA 3.43Å; L356-G361 PolarHBondContact O-N 3.18Å
357L85.7Confident88.1Confident59 Ų5964.4 Ų64.431%0.30934%0.337SS..Hα-helixtrans-72.2-33.7175.1-56.1-179.8000111.3V345 A350 P354 E355 T359 G360 G361 T363V345-L357 HydrophobicContact CB-CD2 4.11Å; V345-L357 HydrophobicContact CG1-CD2 4.48Å; V345-L357 HydrophobicContact CG2-CD2 4.26Å; A350-L357 HydrophobicContact CB-CD1 4.09Å; A350-L357 HydrophobicContact CB-CD2 4.21Å; A350-L357 HydrophobicContact CB-CG 4.48Å; P354-L357 WeakPolarHBondContact O-CB 3.5Å; P354-L357 PolarHBondContact O-N 3.11Å; P354-L357 VanDerWaalsContact O-N 3.11Å; E355-L357 PolarHBondContact O-N 3.36Å; L357-T359 VanDerWaalsContact C-N 3.28Å; L357-T359 PolarHBondContact O-N 3.09Å; L357-G360 PolarHBondContact O-N 2.84Å; L357-G361 WeakPolarHBondContact CA-O 3.4Å; L357-G361 VanDerWaalsContact CD2-O 3.28Å; L357-G361 WeakPolarHBondContact CD2-O 3.41Å; L357-T363 HydrophobicContact CD1-CG2 4.28Å; L357-T363 HydrophobicContact CD2-CG2 3.52Å
358R83Confident87.7Confident198 Ų19865.4 Ų65.475%0.74734%0.341SS*.Hα-helixtrans-69.7-26.5176.7-66.2178.261-152.20.7112.7P354 E355 G360P354-R358 PolarHBondContact O-N 3.4Å; E355-R358 WeakPolarHBondContact O-CB 3.34Å; E355-R358 PolarHBondContact O-N 3.16Å; E355-R358 WeakPolarHBondContact OE2-CD 3.45Å; E355-R358 IonicContact OE2-CZ 3.67Å; E355-R358 IonicContact OE2-NE 3.92Å; E355-R358 IonicContact OE2-NH1 2.73Å; E355-R358 PolarHBondContact OE2-NH1 3.35Å; R358-G360 VanDerWaalsContact C-N 3.27Å; R358-G360 PolarHBondContact O-N 2.96Å
359T82Confident87.4Confident112 Ų11270.2 Ų70.269%0.68737%0.367SS*.THydrogen-bonded Turntrans-86.69.4177.353.60000113.8E355 L356 L357E355-T359 PolarHBondContact O-N 3.27Å; E355-T359 VanDerWaalsContact O-N 3.11Å; E355-T359 PolarHBondContact O-OG1 3.18Å; L356-T359 WeakPolarHBondContact CA-OG1 3.29Å; L356-T359 PolarHBondContact O-N 3.03Å; L356-T359 PolarHBondContact O-OG1 3.17Å; L357-T359 VanDerWaalsContact C-N 3.28Å; L357-T359 PolarHBondContact O-N 3.09Å
360G83.9Confident87.3Confident45 Ų4572.5 Ų72.546%0.46438%0.379SS..THydrogen-bonded Turntrans102.82.9178.400000114.8L357 R358 T362L357-G360 PolarHBondContact O-N 2.84Å; R358-G360 VanDerWaalsContact C-N 3.27Å; R358-G360 PolarHBondContact O-N 2.96Å; G360-T362 PolarHBondContact O-N 3.48Å
361G83.7Confident87.3Confident8 Ų875.2 Ų75.28%0.08240%0.397CS..  trans-63.5128.4173.900000111.8S343 L356 L357S343-G361 VanDerWaalsContact OG-CA 3.29Å; S343-G361 WeakPolarHBondContact OG-CA 3.41Å; L356-G361 VanDerWaalsContact O-CA 3.24Å; L356-G361 WeakPolarHBondContact O-CA 3.43Å; L356-G361 PolarHBondContact O-N 3.18Å; L357-G361 WeakPolarHBondContact CA-O 3.4Å; L357-G361 VanDerWaalsContact CD2-O 3.28Å; L357-G361 WeakPolarHBondContact CD2-O 3.41Å
362T90Very high87.2Confident63 Ų6373.6 Ų73.639%0.38740%0.397SS..BIsolated β-bridgetrans-103.3152.4177.9630000110.9P341 S343 V345 G360P341-T362 HydrophobicContact CB-CG2 4.33Å; P341-T362 VanDerWaalsContact CB-OG1 3.3Å; P341-T362 WeakPolarHBondContact CB-OG1 3.32Å; P341-T362 WeakPolarHBondContact CG-OG1 3.44Å; S343-T362 PolarHBondContact O-N 3.39Å; S343-T362 PolarHBondContact O-OG1 3.02Å; V345-T362 PolarHBondContact N-O 2.74Å; G360-T362 PolarHBondContact O-N 3.48Å
363T91Very high87.1Confident27 Ų2773.5 Ų73.517%0.16639%0.393CS..  trans-160.4160.1-177.9-172.20000108.8V345 A350 L357 E365V345-T363 WeakPolarHBondContact O-CB 3.11Å; V345-T363 PolarHBondContact O-OG1 2.83Å; A350-T363 HydrophobicContact CB-CG2 3.93Å; L357-T363 HydrophobicContact CD1-CG2 4.28Å; L357-T363 HydrophobicContact CD2-CG2 3.52Å; T363-E365 PolarHBondContact O-N 2.82Å
364D90.7Very high87.2Confident5 Ų570.2 Ų70.23%0.02739%0.385CS..  trans-89.5103.6-179.9177.415.2000111.6F332 R333 T366 I367 R382F332-D364 HydrophobicContact CB-CB 4.45Å; F332-D364 HydrophobicContact CD1-CB 4.05Å; R333-D364 WeakPolarHBondContact CD-OD1 3.46Å; R333-D364 WeakPolarHBondContact CG-OD2 3.42Å; D364-T366 PolarHBondContact O-N 3.01Å; D364-T366 VanDerWaalsContact O-N 3.16Å; D364-T366 VanDerWaalsContact OD1-CB 3.31Å; D364-T366 WeakPolarHBondContact OD1-CB 3.07Å; D364-T366 WeakPolarHBondContact OD1-CG2 3.35Å; D364-T366 PolarHBondContact OD1-N 3.09Å; D364-T366 PolarHBondContact OD1-OG1 2.83Å; D364-T366 PolarHBondContact OD2-OG1 2.88Å; D364-I367 HydrophobicContact CB-CD1 4.33Å; D364-I367 HydrophobicContact CB-CG1 3.95Å; D364-I367 WeakPolarHBondContact O-CG1 3.49Å; D364-I367 PolarHBondContact O-N 2.86Å; D364-R382 IonicContact OD2-CZ 3.22Å; D364-R382 VanDerWaalsContact OD2-CZ 3.22Å; D364-R382 IonicContact OD2-NH1 2.61Å; D364-R382 PolarHBondContact OD2-NH1 2.83Å; D364-R382 IonicContact OD2-NH2 3.03Å; D364-R382 PolarHBondContact OD2-NH2 3.32Å
365E88.7Confident87.6Confident145 Ų14568.2 Ų68.268%0.67837%0.369SS*.Hα-helixtrans-56-29.6177.3-61.8178.2178.800113T363 I367 Q368T363-E365 PolarHBondContact O-N 2.82Å; E365-I367 PolarHBondContact O-N 2.88Å; E365-Q368 PolarHBondContact O-N 2.91Å
366T89.7Confident87.9Confident56 Ų5667.5 Ų67.534%0.34436%0.364SS..Hα-helixtrans-68.8-21.2-176.469.40000113.1D364 L370 R382D364-T366 PolarHBondContact O-N 3.01Å; D364-T366 VanDerWaalsContact O-N 3.16Å; D364-T366 VanDerWaalsContact OD1-CB 3.31Å; D364-T366 WeakPolarHBondContact OD1-CB 3.07Å; D364-T366 WeakPolarHBondContact OD1-CG2 3.35Å; D364-T366 PolarHBondContact OD1-N 3.09Å; D364-T366 PolarHBondContact OD1-OG1 2.83Å; D364-T366 PolarHBondContact OD2-OG1 2.88Å; T366-L370 WeakPolarHBondContact O-CD1 3.38Å; T366-L370 WeakPolarHBondContact O-CG 3.44Å; T366-R382 PolarHBondContact OG1-NH2 3Å
367I92.4Very high88.2Confident0 Ų067.5 Ų67.50%037%0.37CS..Hα-helixtrans-102.9-1617961.5163.7000113.8P307 F332 E347 D364 E365 N369 L370 R375 T378P307-I367 HydrophobicContact CB-CD1 4.32Å; P307-I367 HydrophobicContact CG-CD1 3.97Å; F332-I367 HydrophobicContact CD1-CD1 3.91Å; F332-I367 HydrophobicContact CE1-CD1 3.67Å; F332-I367 HydrophobicContact CZ-CD1 4.35Å; E347-I367 HydrophobicContact CB-CD1 4.13Å; E347-I367 HydrophobicContact CB-CG1 4.32Å; D364-I367 HydrophobicContact CB-CD1 4.33Å; D364-I367 HydrophobicContact CB-CG1 3.95Å; D364-I367 WeakPolarHBondContact O-CG1 3.49Å; D364-I367 PolarHBondContact O-N 2.86Å; E365-I367 PolarHBondContact O-N 2.88Å; I367-N369 PolarHBondContact O-N 2.89Å; I367-L370 HydrophobicContact CG2-CD1 4.38Å; I367-L370 PolarHBondContact O-N 2.92Å; I367-R375 HydrophobicContact CB-CG 4.08Å; I367-R375 PolarHBondContact O-NE 2.88Å; I367-T378 HydrophobicContact CG2-CG2 4.32Å
368Q85.2Confident88.6Confident30 Ų3066 Ų6614%0.1436%0.364CS..Hα-helixtrans-62.4-44.2-178.1-71.8-176.214.200111.7E347 K351 E365 L370E347-Q368 HydrophobicContact CB-CG 4.31Å; K351-Q368 WeakPolarHBondContact CE-O 3.22Å; K351-Q368 PolarHBondContact NZ-O 2.9Å; E365-Q368 PolarHBondContact O-N 2.91Å; Q368-L370 VanDerWaalsContact C-N 3.32Å; Q368-L370 PolarHBondContact O-N 2.86Å
369N84.1Confident89.2Confident143 Ų14356.6 Ų56.677%0.76533%0.328SS*.THydrogen-bonded Turntrans-89.73.3-174.2-65.3-32.5000113.9I367I367-N369 PolarHBondContact O-N 2.89Å
370L89.7Confident89.8Confident55 Ų5552 Ų5229%0.28830%0.299SS..SBendtrans-82.2149.2177-61.2-177.5000111.8T366 I367 Q368 A374 R375T366-L370 WeakPolarHBondContact O-CD1 3.38Å; T366-L370 WeakPolarHBondContact O-CG 3.44Å; I367-L370 HydrophobicContact CG2-CD1 4.38Å; I367-L370 PolarHBondContact O-N 2.92Å; Q368-L370 VanDerWaalsContact C-N 3.32Å; Q368-L370 PolarHBondContact O-N 2.86Å; L370-A374 HydrophobicContact CB-CB 4.05Å; L370-A374 HydrophobicContact CD2-CB 4.4Å; L370-R375 HydrophobicContact CB-CB 4.12Å; L370-R375 PolarHBondContact O-NH2 3.35Å
371S89.9Confident90.4Very high63 Ų6349.9 Ų49.944%0.44128%0.277SS..  trans-58.4162.2164.689.20000110.4E373 A374 R375S371-E373 WeakPolarHBondContact CB-OE2 3.47Å; S371-E373 PolarHBondContact O-N 2.84Å; S371-E373 PolarHBondContact OG-N 2.93Å; S371-E373 PolarHBondContact OG-OE2 2.95Å; S371-A374 PolarHBondContact O-N 3.35Å; S371-A374 PolarHBondContact OG-N 3.07Å; S371-R375 WeakPolarHBondContact O-CB 3.29Å; S371-R375 PolarHBondContact O-N 3.24Å
372V86.7Confident90.9Very high78 Ų7849.9 Ų49.947%0.47328%0.275SS..Hα-helixtrans-58-40.4180178.60000110.8K376V372-K376 HydrophobicContact CG1-CD 4.32Å; V372-K376 WeakPolarHBondContact O-CB 3.34Å; V372-K376 VanDerWaalsContact O-CG 3.27Å; V372-K376 WeakPolarHBondContact O-CG 3.46Å; V372-K376 PolarHBondContact O-N 3.24Å
373E88.1Confident91.1Very high131 Ų13147.1 Ų47.161%0.61226%0.257SS*.Hα-helixtrans-69.8-46.8180-55.769.4-146.700111.4S371 R375 K376 A377S371-E373 WeakPolarHBondContact CB-OE2 3.47Å; S371-E373 PolarHBondContact O-N 2.84Å; S371-E373 PolarHBondContact OG-N 2.93Å; S371-E373 PolarHBondContact OG-OE2 2.95Å; E373-R375 VanDerWaalsContact C-N 3.3Å; E373-R375 PolarHBondContact O-N 3.31Å; E373-K376 PolarHBondContact O-N 3.46Å; E373-A377 WeakPolarHBondContact O-CB 3.27Å; E373-A377 PolarHBondContact O-N 3.4Å
374A90.3Very high91.3Very high37 Ų3745.8 Ų45.831%0.30625%0.249SC..Hα-helixtrans-65-36.8178.900000111.7L370 S371 T378L370-A374 HydrophobicContact CB-CB 4.05Å; L370-A374 HydrophobicContact CD2-CB 4.4Å; S371-A374 PolarHBondContact O-N 3.35Å; S371-A374 PolarHBondContact OG-N 3.07Å; A374-T378 WeakPolarHBondContact O-CB 3.38Å; A374-T378 PolarHBondContact O-N 2.88Å; A374-T378 PolarHBondContact O-OG1 3.01Å
375R92.7Very high91.5Very high27 Ų2745.6 Ų45.610%0.10225%0.248CC..Hα-helixtrans-62.9-53.9173.4-175.7176.2-42.3141.615.4111.1P307 E347 I367 L370 S371 E373 A377 T378 C379P307-R375 VanDerWaalsContact CB-CD 3.48Å; P307-R375 HydrophobicContact CB-CG 3.78Å; E347-R375 VanDerWaalsContact CG-NH1 3.26Å; E347-R375 IonicContact OE1-CZ 3.86Å; E347-R375 IonicContact OE1-NH1 2.93Å; E347-R375 PolarHBondContact OE1-NH1 3.01Å; I367-R375 HydrophobicContact CB-CG 4.08Å; I367-R375 PolarHBondContact O-NE 2.88Å; L370-R375 HydrophobicContact CB-CB 4.12Å; L370-R375 PolarHBondContact O-NH2 3.35Å; S371-R375 WeakPolarHBondContact O-CB 3.29Å; S371-R375 PolarHBondContact O-N 3.24Å; E373-R375 VanDerWaalsContact C-N 3.3Å; E373-R375 PolarHBondContact O-N 3.31Å; R375-A377 VanDerWaalsContact C-N 3.3Å; R375-A377 PolarHBondContact O-N 2.89Å; R375-T378 PolarHBondContact O-N 3.48Å; R375-T378 VanDerWaalsContact O-N 3.13Å; R375-C379 WeakPolarHBondContact O-CB 3.43Å; R375-C379 PolarHBondContact O-N 2.88Å; R375-C379 PolarHBondContact O-SG 3.44Å
376K92.9Very high91.7Very high93 Ų9339.7 Ų39.740%0.40422%0.224SC..Hα-helixtrans-53.8-48.3176.6-76.4177.9178.2-174.80111.4P307 V372 E373 T378 C379 L380P307-K376 WeakPolarHBondContact O-CG 3.34Å; V372-K376 HydrophobicContact CG1-CD 4.32Å; V372-K376 WeakPolarHBondContact O-CB 3.34Å; V372-K376 VanDerWaalsContact O-CG 3.27Å; V372-K376 WeakPolarHBondContact O-CG 3.46Å; V372-K376 PolarHBondContact O-N 3.24Å; E373-K376 PolarHBondContact O-N 3.46Å; K376-T378 VanDerWaalsContact C-N 3.34Å; K376-T378 PolarHBondContact O-N 2.99Å; K376-C379 PolarHBondContact O-N 2.69Å; K376-L380 VanDerWaalsContact O-CB 3.3Å; K376-L380 WeakPolarHBondContact O-CB 3.35Å; K376-L380 VanDerWaalsContact O-CG 3.26Å; K376-L380 WeakPolarHBondContact O-CG 3.34Å; K376-L380 PolarHBondContact O-N 3.21Å
377A92.6Very high91.9Very high43 Ų4338.4 Ų38.436%0.35522%0.215SC..Hα-helixtrans-62.6-38.1179.500000113.1E373 R375 F381E373-A377 WeakPolarHBondContact O-CB 3.27Å; E373-A377 PolarHBondContact O-N 3.4Å; R375-A377 VanDerWaalsContact C-N 3.3Å; R375-A377 PolarHBondContact O-N 2.89Å; A377-F381 VanDerWaalsContact O-CB 3.31Å; A377-F381 WeakPolarHBondContact O-CB 3.34Å; A377-F381 PolarHBondContact O-N 2.9Å
378T93.6Very high92Very high28 Ų2838.4 Ų38.417%0.17222%0.215CC..Hα-helixtrans-68.7-49.7177.5-60.10000111I367 A374 R375 K376 F381 R382I367-T378 HydrophobicContact CG2-CG2 4.32Å; A374-T378 WeakPolarHBondContact O-CB 3.38Å; A374-T378 PolarHBondContact O-N 2.88Å; A374-T378 PolarHBondContact O-OG1 3.01Å; R375-T378 PolarHBondContact O-N 3.48Å; R375-T378 VanDerWaalsContact O-N 3.13Å; K376-T378 VanDerWaalsContact C-N 3.34Å; K376-T378 PolarHBondContact O-N 2.99Å; T378-F381 PolarHBondContact O-N 3.48Å; T378-R382 PolarHBondContact O-N 3.01Å
379C95.2Very high92.3Very high0 Ų038.8 Ų38.80%022%0.218CC..Hα-helixtrans-63-42.9179.1-66.40000112.2C308 C331 R375 K376 F381 R382 R383C308-C379 HydrophobicContact CB-CB 3.62Å; C331-C379 HydrophobicContact CB-CB 4Å; C331-C379 VanDerWaalsContact SG-CB 3.59Å; R375-C379 WeakPolarHBondContact O-CB 3.43Å; R375-C379 PolarHBondContact O-N 2.88Å; R375-C379 PolarHBondContact O-SG 3.44Å; K376-C379 PolarHBondContact O-N 2.69Å; C379-F381 VanDerWaalsContact C-N 3.34Å; C379-F381 PolarHBondContact O-N 3.29Å; C379-R382 PolarHBondContact O-N 3.41Å; C379-R383 PolarHBondContact O-N 3.43Å
380L94.9Very high92.5Very high15 Ų1538.3 Ų38.38%0.07922%0.215CC..Hα-helixtrans-62.7-40.3174-74.8175.7000112.1C308 V310 K376 R383 V384 I405 V409 L413C308-L380 HydrophobicContact CB-CD2 4.06Å; C308-L380 HydrophobicContact CB-CG 4.19Å; V310-L380 HydrophobicContact CG2-CD2 4.02Å; K376-L380 VanDerWaalsContact O-CB 3.3Å; K376-L380 WeakPolarHBondContact O-CB 3.35Å; K376-L380 VanDerWaalsContact O-CG 3.26Å; K376-L380 WeakPolarHBondContact O-CG 3.34Å; K376-L380 PolarHBondContact O-N 3.21Å; L380-R383 PolarHBondContact O-N 3.43Å; L380-V384 WeakPolarHBondContact O-CG2 3.32Å; L380-V384 PolarHBondContact O-N 3.49Å; L380-I405 HydrophobicContact CD2-CG2 3.73Å; L380-V409 HydrophobicContact CD1-CG1 3.99Å; L380-L413 HydrophobicContact CB-CD1 4.05Å; L380-L413 HydrophobicContact CB-CD2 4.32Å
381F95.9Very high92.6Very high0 Ų039 Ų390%022%0.217CC..Hα-helixtrans-65.6-41177.6-168.9-112.5000112.1A377 T378 C379 R383 V384 L385 L413 R416 L417 E420 F448A377-F381 VanDerWaalsContact O-CB 3.31Å; A377-F381 WeakPolarHBondContact O-CB 3.34Å; A377-F381 PolarHBondContact O-N 2.9Å; T378-F381 PolarHBondContact O-N 3.48Å; C379-F381 VanDerWaalsContact C-N 3.34Å; C379-F381 PolarHBondContact O-N 3.29Å; F381-R383 VanDerWaalsContact C-N 3.33Å; F381-R383 PolarHBondContact O-N 3.02Å; F381-V384 PolarHBondContact O-N 3.17Å; F381-V384 VanDerWaalsContact O-N 3.16Å; F381-L385 HydrophobicContact CD1-CD1 3.99Å; F381-L385 HydrophobicContact CD1-CG 4.27Å; F381-L385 HydrophobicContact CE1-CD1 3.79Å; F381-L385 HydrophobicContact CE1-CD2 4.05Å; F381-L385 HydrophobicContact CE1-CG 4.02Å; F381-L385 HydrophobicContact CZ-CD2 3.98Å; F381-L385 HydrophobicContact CZ-CG 4.32Å; F381-L385 WeakPolarHBondContact O-CG 3.46Å; F381-L385 PolarHBondContact O-N 3.15Å; F381-L413 HydrophobicContact CB-CD2 4.1Å; F381-L413 HydrophobicContact CD2-CD2 4.04Å; F381-R416 HydrophobicContact CD2-CB 4.22Å; F381-R416 VanDerWaalsContact CD2-CD 3.47Å; F381-R416 HydrophobicContact CD2-CG 3.91Å; F381-R416 HydrophobicContact CE2-CB 3.81Å; F381-R416 HydrophobicContact CE2-CG 3.48Å; F381-R416 VanDerWaalsContact CE2-CG 3.48Å; F381-R416 HydrophobicContact CZ-CG 3.86Å; F381-L417 HydrophobicContact CE2-CD2 3.87Å; F381-L417 HydrophobicContact CE2-CG 4.22Å; F381-L417 HydrophobicContact CZ-CD2 4.16Å; F381-E420 HydrophobicContact CE1-CG 4.22Å; F381-E420 HydrophobicContact CZ-CB 4.39Å; F381-E420 HydrophobicContact CZ-CG 3.79Å; F381-F448 HydrophobicContact CD1-CD1 4.22Å; F381-F448 AromaticContact CD1-CE1 3.64Å; F381-F448 HydrophobicContact CD1-CE1 3.64Å; F381-F448 AromaticContact CD1-CZ 3.83Å; F381-F448 HydrophobicContact CD1-CZ 3.83Å; F381-F448 AromaticContact CE1-CE1 3.83Å; F381-F448 HydrophobicContact CE1-CE1 3.83Å; F381-F448 AromaticContact CE1-CE2 3.93Å; F381-F448 HydrophobicContact CE1-CE2 3.93Å; F381-F448 AromaticContact CE1-CZ 3.5Å; F381-F448 HydrophobicContact CE1-CZ 3.5Å
382R95.1Very high92.7Very high8 Ų841.1 Ų41.13%0.0322%0.224CC..Hα-helixtrans-58.4-43.6172.6-72.5-178.6179.8150.9-1.2112.4V330 C331 D364 T366 T378 C379 V384 L385 A386 F448 F449V330-R382 HydrophobicContact CG2-CB 4.18Å; V330-R382 WeakPolarHBondContact O-CD 3.41Å; C331-R382 PolarHBondContact O-NH1 3.45Å; D364-R382 IonicContact OD2-CZ 3.22Å; D364-R382 VanDerWaalsContact OD2-CZ 3.22Å; D364-R382 IonicContact OD2-NH1 2.61Å; D364-R382 PolarHBondContact OD2-NH1 2.83Å; D364-R382 IonicContact OD2-NH2 3.03Å; D364-R382 PolarHBondContact OD2-NH2 3.32Å; T366-R382 PolarHBondContact OG1-NH2 3Å; T378-R382 PolarHBondContact O-N 3.01Å; C379-R382 PolarHBondContact O-N 3.41Å; R382-V384 VanDerWaalsContact C-N 3.32Å; R382-V384 PolarHBondContact O-N 3.39Å; R382-L385 PolarHBondContact O-N 3.46Å; R382-A386 PolarHBondContact O-N 3.02Å; R382-F448 HydrophobicContact CG-CD1 4.48Å; R382-F448 PolarHBondContact NE-O 2.64Å; R382-F449 HydrophobicContact CB-CE1 3.97Å; R382-F449 HydrophobicContact CB-CZ 4.05Å; R382-F449 HydrophobicContact CG-CE1 4.08Å; R382-F449 HydrophobicContact CG-CZ 4.29Å
383R94.3Very high93.1Very high5 Ų538.3 Ų38.32%0.01921%0.207CC..Hα-helixtrans-60.5-40174.8-75.5178.865.1-151.3-7112.4C308 V310 D314 V330 C379 L380 F381 A386 L387 L403C308-R383 PolarHBondContact SG-NH1 3.36Å; V310-R383 VanDerWaalsContact CB-NH1 3.29Å; D314-R383 IonicContact OD1-CZ 2.63Å; D314-R383 IonicContact OD1-NE 2.81Å; D314-R383 IonicContact OD1-NH2 3.74Å; D314-R383 PolarHBondContact OD1-NH2 3.28Å; D314-R383 IonicContact OD2-CZ 2.75Å; D314-R383 IonicContact OD2-NE 3.83Å; D314-R383 PolarHBondContact OD2-NE 3.45Å; D314-R383 IonicContact OD2-NH2 2.7Å; D314-R383 PolarHBondContact OD2-NH2 3.45Å; V330-R383 HydrophobicContact CG1-CG 3.49Å; V330-R383 VanDerWaalsContact CG1-CG 3.49Å; C379-R383 PolarHBondContact O-N 3.43Å; L380-R383 PolarHBondContact O-N 3.43Å; F381-R383 VanDerWaalsContact C-N 3.33Å; F381-R383 PolarHBondContact O-N 3.02Å; R383-A386 PolarHBondContact O-N 3.01Å; R383-L387 WeakPolarHBondContact O-CB 3.45Å; R383-L387 PolarHBondContact O-N 3.08Å; R383-L403 HydrophobicContact CB-CD1 4.04Å; R383-L403 HydrophobicContact CB-CD2 3.93Å; R383-L403 PolarHBondContact NH2-O 3.27Å
384V94.9Very high93.4Very high0 Ų032 Ų320%018%0.178CC..Hα-helixtrans-66.1-39.8174.7176.70000112L380 F381 R382 L387 C388 I399 L403 L413 L417L380-V384 WeakPolarHBondContact O-CG2 3.32Å; L380-V384 PolarHBondContact O-N 3.49Å; F381-V384 PolarHBondContact O-N 3.17Å; F381-V384 VanDerWaalsContact O-N 3.16Å; R382-V384 VanDerWaalsContact C-N 3.32Å; R382-V384 PolarHBondContact O-N 3.39Å; V384-L387 WeakPolarHBondContact O-CB 3.38Å; V384-L387 PolarHBondContact O-N 2.75Å; V384-C388 PolarHBondContact O-N 2.73Å; V384-C388 PolarHBondContact O-SG 2.96Å; V384-I399 HydrophobicContact CG1-CD1 4.06Å; V384-I399 HydrophobicContact CG1-CG1 4.47Å; V384-I399 HydrophobicContact CG2-CG2 3.75Å; V384-L403 HydrophobicContact CB-CD1 4.3Å; V384-L403 HydrophobicContact CG2-CD1 3.26Å; V384-L413 HydrophobicContact CG2-CB 4.02Å; V384-L413 HydrophobicContact CG2-CD1 3.64Å; V384-L413 HydrophobicContact CG2-CG 4.28Å; V384-L417 HydrophobicContact CG1-CD1 3.47Å; V384-L417 VanDerWaalsContact CG1-CD1 3.47Å; V384-L417 HydrophobicContact CG1-CD2 3.89Å; V384-L417 HydrophobicContact CG1-CG 3.84Å
385L95.3Very high93.6Very high0 Ų031 Ų310%017%0.168CC..Hα-helixtrans-61.8-45.4175.6-66.5174.4000111.2F381 R382 L387 C388 L389 L417 V422 L440 V444 F448 F449F381-L385 HydrophobicContact CD1-CD1 3.99Å; F381-L385 HydrophobicContact CD1-CG 4.27Å; F381-L385 HydrophobicContact CE1-CD1 3.79Å; F381-L385 HydrophobicContact CE1-CD2 4.05Å; F381-L385 HydrophobicContact CE1-CG 4.02Å; F381-L385 HydrophobicContact CZ-CD2 3.98Å; F381-L385 HydrophobicContact CZ-CG 4.32Å; F381-L385 WeakPolarHBondContact O-CG 3.46Å; F381-L385 PolarHBondContact O-N 3.15Å; R382-L385 PolarHBondContact O-N 3.46Å; L385-L387 VanDerWaalsContact C-N 3.31Å; L385-L387 PolarHBondContact O-N 3.33Å; L385-C388 PolarHBondContact O-N 2.84Å; L385-C388 VanDerWaalsContact O-N 3.12Å; L385-L389 PolarHBondContact O-N 2.77Å; L385-L417 HydrophobicContact CD2-CD2 3.85Å; L385-V422 HydrophobicContact CD2-CG1 4.44Å; L385-V422 HydrophobicContact CD2-CG2 3.93Å; L385-L440 HydrophobicContact CB-CD1 4.37Å; L385-L440 HydrophobicContact CD2-CD1 3.75Å; L385-V444 HydrophobicContact CD1-CG1 3.94Å; L385-V444 HydrophobicContact CD2-CG1 3.71Å; L385-V444 HydrophobicContact CG-CG1 4.48Å; L385-F448 HydrophobicContact CD1-CB 3.83Å; L385-F448 HydrophobicContact CD1-CD1 4.08Å; L385-F448 HydrophobicContact CD1-CD2 3.54Å; L385-F448 HydrophobicContact CD1-CE2 4.14Å; L385-F448 HydrophobicContact CD1-CG 3.52Å; L385-F449 HydrophobicContact CB-CE2 4.18Å; L385-F449 HydrophobicContact CB-CZ 4.28Å; L385-F449 HydrophobicContact CD1-CE2 4.36Å
386A93.1Very high93.6Very high22 Ų2230.5 Ų30.518%0.18217%0.168CC..Hα-helixtrans-63.2-36.7175.600000112.6V330 L335 R382 R383 C388 L389V330-A386 HydrophobicContact CG2-CB 3.73Å; L335-A386 HydrophobicContact CD2-CB 4.04Å; R382-A386 PolarHBondContact O-N 3.02Å; R383-A386 PolarHBondContact O-N 3.01Å; A386-C388 VanDerWaalsContact C-N 3.33Å; A386-C388 PolarHBondContact O-N 2.91Å; A386-L389 PolarHBondContact O-N 2.8Å
387L93Very high93.6Very high28 Ų2828.2 Ų28.215%0.14717%0.167CC..Hα-helixtrans-61.6-41.2172.1-178.566.9000111.7R383 V384 L385 L389 N390 E391 F398 I399 L403R383-L387 WeakPolarHBondContact O-CB 3.45Å; R383-L387 PolarHBondContact O-N 3.08Å; V384-L387 WeakPolarHBondContact O-CB 3.38Å; V384-L387 PolarHBondContact O-N 2.75Å; L385-L387 VanDerWaalsContact C-N 3.31Å; L385-L387 PolarHBondContact O-N 3.33Å; L387-L389 VanDerWaalsContact C-N 3.27Å; L387-L389 PolarHBondContact O-N 3.03Å; L387-N390 PolarHBondContact O-N 2.83Å; L387-E391 HydrophobicContact CD1-CG 4.47Å; L387-E391 WeakPolarHBondContact O-CG 3.34Å; L387-F398 HydrophobicContact CD1-CE1 3.87Å; L387-F398 HydrophobicContact CD1-CZ 4.03Å; L387-F398 HydrophobicContact CD2-CD1 4.15Å; L387-F398 HydrophobicContact CD2-CE1 3.68Å; L387-F398 HydrophobicContact CG-CE1 3.8Å; L387-F398 HydrophobicContact CG-CZ 4.46Å; L387-I399 HydrophobicContact CD2-CG1 4.32Å; L387-L403 HydrophobicContact CD2-CG 4.41Å
388C94Very high93.6Very high0 Ų028 Ų280%016%0.158CC..Hα-helixtrans-68.6-22.3179.9-64.10000113.2V384 L385 A386 N390 E391 V422 V435 L440V384-C388 PolarHBondContact O-N 2.73Å; V384-C388 PolarHBondContact O-SG 2.96Å; L385-C388 PolarHBondContact O-N 2.84Å; L385-C388 VanDerWaalsContact O-N 3.12Å; A386-C388 VanDerWaalsContact C-N 3.33Å; A386-C388 PolarHBondContact O-N 2.91Å; C388-N390 PolarHBondContact O-N 2.81Å; C388-E391 PolarHBondContact O-N 2.91Å; C388-V422 HydrophobicContact CB-CG1 4.44Å; C388-V435 HydrophobicContact CB-CG1 3.95Å; C388-V435 HydrophobicContact CB-CG2 4.15Å; C388-L440 HydrophobicContact CB-CD2 3.48Å; C388-L440 VanDerWaalsContact CB-CD2 3.48Å
389L91.3Very high93.6Very high39 Ų3926.6 Ų26.620%0.20415%0.15CC..Hα-helixtrans-64.2-28.8175-71.2171.7000112.4L335 L385 A386 L387 L440 E441L335-L389 HydrophobicContact CD1-CD1 4.49Å; L335-L389 HydrophobicContact CD2-CD1 4.37Å; L385-L389 PolarHBondContact O-N 2.77Å; A386-L389 PolarHBondContact O-N 2.8Å; L387-L389 VanDerWaalsContact C-N 3.27Å; L387-L389 PolarHBondContact O-N 3.03Å; L389-L440 HydrophobicContact CD2-CD2 3.85Å; L389-L440 HydrophobicContact CD2-CG 3.85Å; L389-L440 HydrophobicContact CG-CD2 4.11Å; L389-L440 HydrophobicContact CG-CG 4.45Å; L389-E441 HydrophobicContact CD2-CG 3.53Å
390N89.4Confident93.4Very high133 Ų13327.1 Ų27.171%0.71115%0.154SC*.THydrogen-bonded Turntrans-99.3-3.6-175.5-62.5-40.4000113.6L387 C388L387-N390 PolarHBondContact O-N 2.83Å; C388-N390 PolarHBondContact O-N 2.81Å
391E91.7Very high93.2Very high70 Ų7033 Ų3333%0.32718%0.175SC..  trans-128132-169.2-64.5-70.7167.400110.8L387 C388 S393 V394 F398 V435L387-E391 HydrophobicContact CD1-CG 4.47Å; L387-E391 WeakPolarHBondContact O-CG 3.34Å; C388-E391 PolarHBondContact O-N 2.91Å; E391-S393 VanDerWaalsContact C-N 3.31Å; E391-V394 HydrophobicContact CB-CG1 4.08Å; E391-F398 HydrophobicContact CB-CE1 4.41Å; E391-F398 HydrophobicContact CG-CE1 3.7Å; E391-F398 HydrophobicContact CG-CZ 3.58Å; E391-F398 WeakPolarHBondContact OE1-CZ 2.89Å; E391-V435 VanDerWaalsContact O-CG2 3.25Å; E391-V435 WeakPolarHBondContact O-CG2 3.37Å
392D92.4Very high92.9Very high107 Ų10734.5 Ų34.557%0.57219%0.185SC*.SBendtrans-75.2-24.9179.6-63.5-35.3000112.6L434 V435 K437D392-L434 WeakPolarHBondContact O-CA 3.45Å; D392-V435 PolarHBondContact O-N 3.39Å; D392-K437 WeakPolarHBondContact OD1-CE 3.35Å; D392-K437 IonicContact OD1-NZ 2.62Å; D392-K437 PolarHBondContact OD1-NZ 2.98Å
393S93.6Very high92.7Very high18 Ų1834.3 Ų34.313%0.12619%0.185CC..EExtended strand (participates in β ladder)trans-150.514717971.50000110.5E391 E432 K433E391-S393 VanDerWaalsContact C-N 3.31Å; S393-E432 PolarHBondContact OG-OE2 2.73Å; S393-K433 CarbonylContact C-O 3.55Å; S393-K433 WeakPolarHBondContact CA-O 3.21Å; S393-K433 WeakPolarHBondContact CB-O 3.47Å
394V94.7Very high92.3Very high0 Ų035.3 Ų35.30%020%0.197CC..EExtended strand (participates in β ladder)trans-131.1152-179.7-64.70000110.5E391 F398 I399 F414 L417 I423 E432 K433 V435E391-V394 HydrophobicContact CB-CG1 4.08Å; V394-F398 HydrophobicContact CB-CD1 4.24Å; V394-F398 HydrophobicContact CG1-CD1 3.98Å; V394-F398 HydrophobicContact CG1-CE1 4.09Å; V394-I399 HydrophobicContact CB-CD1 4.48Å; V394-I399 HydrophobicContact CB-CG1 4.43Å; V394-I399 HydrophobicContact CG2-CD1 4.45Å; V394-F414 HydrophobicContact CG2-CD2 4.49Å; V394-F414 HydrophobicContact CG2-CE2 4.29Å; V394-F414 WeakPolarHBondContact O-CE2 3.36Å; V394-L417 HydrophobicContact CG2-CD1 4.22Å; V394-I423 HydrophobicContact CG2-CD1 4.1Å; V394-I423 HydrophobicContact CG2-CG2 3.73Å; V394-E432 CarbonylContact O-C 3.58Å; V394-E432 VanDerWaalsContact O-CA 3.27Å; V394-E432 WeakPolarHBondContact O-CA 3.38Å; V394-K433 PolarHBondContact N-O 2.76Å; V394-K433 PolarHBondContact O-N 3.44Å; V394-V435 HydrophobicContact CG1-CG2 4.12Å; V394-V435 HydrophobicContact CG2-CG2 4.26Å
395S94.5Very high92.1Very high15 Ų1536.4 Ų36.411%0.10520%0.202CC..  trans-127.2160.9169.363.20000110.3A397 F398 I399S395-A397 PolarHBondContact O-N 2.97Å; S395-F398 PolarHBondContact O-N 3.13Å; S395-F398 VanDerWaalsContact O-N 3.15Å; S395-F398 WeakPolarHBondContact OG-CB 3.35Å; S395-F398 PolarHBondContact OG-N 3.3Å; S395-F398 VanDerWaalsContact OG-N 3.1Å; S395-I399 WeakPolarHBondContact O-CG1 3.34Å; S395-I399 PolarHBondContact O-N 3.25Å
396P93.7Very high91.9Very high16 Ų1641.9 Ų41.910%0.10423%0.228CC..Hα-helixtrans-55.9-36.5173.1-24.733.4000113A400 Y407 A410 R411 F414P396-A400 WeakPolarHBondContact O-CB 3.02Å; P396-A400 PolarHBondContact O-N 2.77Å; P396-Y407 HydrophobicContact CB-CE2 3.79Å; P396-A410 VanDerWaalsContact O-CB 3.31Å; P396-A410 WeakPolarHBondContact O-CB 3.46Å; P396-R411 HydrophobicContact CB-CB 4.35Å; P396-F414 HydrophobicContact CB-CB 4.43Å; P396-F414 HydrophobicContact CG-CB 3.99Å; P396-F414 HydrophobicContact CG-CD1 3.76Å; P396-F414 HydrophobicContact CG-CD2 3.94Å; P396-F414 HydrophobicContact CG-CE1 4.13Å; P396-F414 HydrophobicContact CG-CE2 4.32Å; P396-F414 HydrophobicContact CG-CG 3.63Å; P396-F414 HydrophobicContact CG-CZ 4.38Å
397A92.3Very high91.8Very high45 Ų4546.5 Ų46.537%0.37224%0.242SC..Hα-helixtrans-69.9-39.5178.200000111.9S395 R401 Y407S395-A397 PolarHBondContact O-N 2.97Å; A397-R401 WeakPolarHBondContact O-CG 3.19Å; A397-R401 PolarHBondContact O-N 3.35Å; A397-R401 VanDerWaalsContact O-N 3.12Å; A397-Y407 HydrophobicContact CB-CE2 4.28Å
398F92.5Very high91.8Very high38 Ų3849.6 Ų49.617%0.16726%0.262CS..Hα-helixtrans-61.9-49.9172.9176.6-99.5000111.1L387 E391 V394 S395 A400 R401 S402L387-F398 HydrophobicContact CD1-CE1 3.87Å; L387-F398 HydrophobicContact CD1-CZ 4.03Å; L387-F398 HydrophobicContact CD2-CD1 4.15Å; L387-F398 HydrophobicContact CD2-CE1 3.68Å; L387-F398 HydrophobicContact CG-CE1 3.8Å; L387-F398 HydrophobicContact CG-CZ 4.46Å; E391-F398 HydrophobicContact CB-CE1 4.41Å; E391-F398 HydrophobicContact CG-CE1 3.7Å; E391-F398 HydrophobicContact CG-CZ 3.58Å; E391-F398 WeakPolarHBondContact OE1-CZ 2.89Å; V394-F398 HydrophobicContact CB-CD1 4.24Å; V394-F398 HydrophobicContact CG1-CD1 3.98Å; V394-F398 HydrophobicContact CG1-CE1 4.09Å; S395-F398 PolarHBondContact O-N 3.13Å; S395-F398 VanDerWaalsContact O-N 3.15Å; S395-F398 WeakPolarHBondContact OG-CB 3.35Å; S395-F398 PolarHBondContact OG-N 3.3Å; S395-F398 VanDerWaalsContact OG-N 3.1Å; F398-A400 VanDerWaalsContact C-N 3.33Å; F398-A400 PolarHBondContact O-N 3.28Å; F398-R401 PolarHBondContact O-N 2.93Å; F398-S402 WeakPolarHBondContact CE2-OG 3.29Å; F398-S402 WeakPolarHBondContact CZ-OG 3.42Å; F398-S402 WeakPolarHBondContact O-CB 3.34Å; F398-S402 PolarHBondContact O-N 3.09Å; F398-S402 PolarHBondContact O-OG 2.89Å
399I93.1Very high91.7Very high0 Ų052.3 Ų52.30%028%0.278CS..Hα-helixtrans-58.3-44.7178.4-67.1169.5000111.6V384 L387 V394 S395 R401 L403 I405 A410 F414 L417V384-I399 HydrophobicContact CG1-CD1 4.06Å; V384-I399 HydrophobicContact CG1-CG1 4.47Å; V384-I399 HydrophobicContact CG2-CG2 3.75Å; L387-I399 HydrophobicContact CD2-CG1 4.32Å; V394-I399 HydrophobicContact CB-CD1 4.48Å; V394-I399 HydrophobicContact CB-CG1 4.43Å; V394-I399 HydrophobicContact CG2-CD1 4.45Å; S395-I399 WeakPolarHBondContact O-CG1 3.34Å; S395-I399 PolarHBondContact O-N 3.25Å; I399-R401 VanDerWaalsContact C-N 3.34Å; I399-R401 PolarHBondContact O-N 2.8Å; I399-L403 HydrophobicContact CG2-CD1 4.23Å; I399-L403 WeakPolarHBondContact O-CB 3.45Å; I399-L403 PolarHBondContact O-N 3.28Å; I399-I405 HydrophobicContact CG2-CD1 4.22Å; I399-A410 HydrophobicContact CB-CB 4.2Å; I399-A410 HydrophobicContact CG2-CB 3.93Å; I399-F414 HydrophobicContact CD1-CB 4.14Å; I399-F414 HydrophobicContact CD1-CD2 3.89Å; I399-L417 HydrophobicContact CD1-CD1 3.91Å
400A92.5Very high91.8Very high10 Ų1050.5 Ų50.58%0.08327%0.269CS..Hα-helixtrans-57.4-47.5177.900000111.5P396 F398 G404 I405 A410P396-A400 WeakPolarHBondContact O-CB 3.02Å; P396-A400 PolarHBondContact O-N 2.77Å; F398-A400 VanDerWaalsContact C-N 3.33Å; F398-A400 PolarHBondContact O-N 3.28Å; A400-G404 WeakPolarHBondContact O-CA 3.4Å; A400-G404 PolarHBondContact O-N 3.11Å; A400-I405 PolarHBondContact O-N 2.95Å; A400-I405 VanDerWaalsContact O-N 3.14Å; A400-A410 HydrophobicContact CB-CB 3.61Å
401R89.8Confident92Very high139 Ų13950.6 Ų50.653%0.52526%0.259SS..Hα-helixtrans-69.1-47.2-179.1-71.3-173-59.6163.53.7112.5I26 K312 A397 F398 I399 L403 G404I26-R401 HydrophobicContact CD1-CB 4.45Å; I26-R401 VanDerWaalsContact CD1-O 3.27Å; I26-R401 WeakPolarHBondContact CD1-O 3.41Å; K312-R401 PolarHBondContact NZ-O 3.29Å; A397-R401 WeakPolarHBondContact O-CG 3.19Å; A397-R401 PolarHBondContact O-N 3.35Å; A397-R401 VanDerWaalsContact O-N 3.12Å; F398-R401 PolarHBondContact O-N 2.93Å; I399-R401 VanDerWaalsContact C-N 3.34Å; I399-R401 PolarHBondContact O-N 2.8Å; R401-L403 PolarHBondContact O-N 3.29Å; R401-G404 PolarHBondContact O-N 3.32Å
402S90Very high92.2Very high31 Ų3149.3 Ų49.322%0.21726%0.264CS..Hα-helixtrans-62.6-42.9-176.9-59.90000111.4K312 F398K312-S402 PolarHBondContact NZ-O 2.92Å; F398-S402 WeakPolarHBondContact CE2-OG 3.29Å; F398-S402 WeakPolarHBondContact CZ-OG 3.42Å; F398-S402 WeakPolarHBondContact O-CB 3.34Å; F398-S402 PolarHBondContact O-N 3.09Å; F398-S402 PolarHBondContact O-OG 2.89Å
403L89.9Confident92.3Very high4 Ų444.8 Ų44.82%0.02124%0.24CC..Hα-helixtrans-92.3-9.3-177.9-61.1-172.9000115.1V310 R383 V384 L387 I399 R401 I405V310-L403 WeakPolarHBondContact CG1-O 3.36Å; R383-L403 HydrophobicContact CB-CD1 4.04Å; R383-L403 HydrophobicContact CB-CD2 3.93Å; R383-L403 PolarHBondContact NH2-O 3.27Å; V384-L403 HydrophobicContact CB-CD1 4.3Å; V384-L403 HydrophobicContact CG2-CD1 3.26Å; L387-L403 HydrophobicContact CD2-CG 4.41Å; I399-L403 HydrophobicContact CG2-CD1 4.23Å; I399-L403 WeakPolarHBondContact O-CB 3.45Å; I399-L403 PolarHBondContact O-N 3.28Å; R401-L403 PolarHBondContact O-N 3.29Å; L403-I405 HydrophobicContact CB-CD1 4.28Å; L403-I405 HydrophobicContact CB-CG1 4.18Å; L403-I405 HydrophobicContact CB-CG2 4.31Å; L403-I405 HydrophobicContact CD1-CD1 4.35Å
404G87.6Confident92.5Very high26 Ų2644.6 Ų44.627%0.26824%0.237SC..THydrogen-bonded Turntrans67.139.9-176.700000113.3A400 R401A400-G404 WeakPolarHBondContact O-CA 3.4Å; A400-G404 PolarHBondContact O-N 3.11Å; R401-G404 PolarHBondContact O-N 3.32Å
405I91Very high92.5Very high23 Ų2348.9 Ų48.912%0.11826%0.26CS..  trans-116.9157.5179.560.5178000111.2V310 L380 I399 A400 L403 V409 A410 L413V310-I405 HydrophobicContact CG2-CG2 3.64Å; L380-I405 HydrophobicContact CD2-CG2 3.73Å; I399-I405 HydrophobicContact CG2-CD1 4.22Å; A400-I405 PolarHBondContact O-N 2.95Å; A400-I405 VanDerWaalsContact O-N 3.14Å; L403-I405 HydrophobicContact CB-CD1 4.28Å; L403-I405 HydrophobicContact CB-CG1 4.18Å; L403-I405 HydrophobicContact CB-CG2 4.31Å; L403-I405 HydrophobicContact CD1-CD1 4.35Å; I405-V409 HydrophobicContact CD1-CB 4.45Å; I405-V409 HydrophobicContact CD1-CG1 4.12Å; I405-A410 HydrophobicContact CD1-CB 4Å; I405-A410 HydrophobicContact CG1-CB 4.13Å; I405-L413 HydrophobicContact CD1-CD1 3.43Å; I405-L413 VanDerWaalsContact CD1-CD1 3.43Å
406E90.1Very high92.5Very high116 Ų11651.8 Ų51.854%0.54227%0.269SS..  trans-57.1144.8174.3-69.6-178.8-166.100112.1T408 V409 A410E406-T408 PolarHBondContact O-N 2.92Å; E406-T408 PolarHBondContact OE2-OG1 3.48Å; E406-V409 HydrophobicContact CB-CG2 4.19Å; E406-V409 PolarHBondContact O-N 2.94Å; E406-V409 VanDerWaalsContact O-N 3.08Å; E406-A410 PolarHBondContact O-N 3.5Å
407Y90.6Very high92.6Very high119 Ų11951 Ų5147%0.46726%0.264SS..Hα-helixtrans-57.2-34.5178.9179.8-92.7000113P396 A397 A410 R411P396-Y407 HydrophobicContact CB-CE2 3.79Å; A397-Y407 HydrophobicContact CB-CE2 4.28Å; Y407-A410 PolarHBondContact O-N 3.01Å; Y407-R411 VanDerWaalsContact O-CB 3.26Å; Y407-R411 WeakPolarHBondContact O-CB 3.14Å; Y407-R411 PolarHBondContact O-N 3.18Å
408T92.8Very high92.7Very high92 Ų9251.5 Ų51.556%0.56426%0.259SS*.Hα-helixtrans-61.3-46176.149.80000111.6E406 R411 G412E406-T408 PolarHBondContact O-N 2.92Å; E406-T408 PolarHBondContact OE2-OG1 3.48Å; T408-R411 PolarHBondContact O-N 3.49Å; T408-G412 PolarHBondContact O-N 3.19Å
409V92Very high92.7Very high58 Ų5858 Ų5835%0.35229%0.287SS..Hα-helixtrans-66.9-45.9176-176.70000110.2L380 I405 E406 R411 G412 L413L380-V409 HydrophobicContact CD1-CG1 3.99Å; I405-V409 HydrophobicContact CD1-CB 4.45Å; I405-V409 HydrophobicContact CD1-CG1 4.12Å; E406-V409 HydrophobicContact CB-CG2 4.19Å; E406-V409 PolarHBondContact O-N 2.94Å; E406-V409 VanDerWaalsContact O-N 3.08Å; V409-R411 VanDerWaalsContact C-N 3.3Å; V409-R411 PolarHBondContact O-N 3.31Å; V409-G412 WeakPolarHBondContact O-CA 3.43Å; V409-G412 PolarHBondContact O-N 3.46Å; V409-L413 HydrophobicContact CG1-CD1 4.21Å; V409-L413 WeakPolarHBondContact O-CG 3.07Å; V409-L413 PolarHBondContact O-N 3.48Å
410A94.3Very high92.7Very high0 Ų060 Ų600%030%0.297CS..Hα-helixtrans-59.2-40176.600000112.4P396 I399 A400 I405 E406 Y407 L413 F414P396-A410 VanDerWaalsContact O-CB 3.31Å; P396-A410 WeakPolarHBondContact O-CB 3.46Å; I399-A410 HydrophobicContact CB-CB 4.2Å; I399-A410 HydrophobicContact CG2-CB 3.93Å; A400-A410 HydrophobicContact CB-CB 3.61Å; I405-A410 HydrophobicContact CD1-CB 4Å; I405-A410 HydrophobicContact CG1-CB 4.13Å; E406-A410 PolarHBondContact O-N 3.5Å; Y407-A410 PolarHBondContact O-N 3.01Å; A410-L413 PolarHBondContact O-N 2.95Å; A410-F414 VanDerWaalsContact O-CB 3.29Å; A410-F414 WeakPolarHBondContact O-CB 3.37Å; A410-F414 PolarHBondContact O-N 3.48Å
411R94.2Very high92.7Very high136 Ų13664 Ų6451%0.51331%0.314SS..Hα-helixtrans-65.1-38.3174-174.6172.1179.9146.6-2.4112P396 Y407 T408 V409 F414 N415P396-R411 HydrophobicContact CB-CB 4.35Å; Y407-R411 VanDerWaalsContact O-CB 3.26Å; Y407-R411 WeakPolarHBondContact O-CB 3.14Å; Y407-R411 PolarHBondContact O-N 3.18Å; T408-R411 PolarHBondContact O-N 3.49Å; V409-R411 VanDerWaalsContact C-N 3.3Å; V409-R411 PolarHBondContact O-N 3.31Å; R411-F414 PolarHBondContact O-N 2.91Å; R411-N415 VanDerWaalsContact O-CG 3.25Å; R411-N415 PolarHBondContact O-N 2.99Å; R411-N415 PolarHBondContact O-ND2 2.87Å
412G94.5Very high92.9Very high42 Ų4257.4 Ų57.443%0.43329%0.289SS..Hα-helixtrans-61.1-46.117200000112.5T408 V409 N415 R416T408-G412 PolarHBondContact O-N 3.19Å; V409-G412 WeakPolarHBondContact O-CA 3.43Å; V409-G412 PolarHBondContact O-N 3.46Å; G412-N415 PolarHBondContact O-N 2.89Å; G412-R416 PolarHBondContact O-N 2.97Å
413L95.7Very high93.1Very high12 Ų1256 Ų566%0.06328%0.279CS..Hα-helixtrans-65.7-40.6176.7-65.1167.8000111.9L380 F381 V384 I405 V409 A410 N415 R416 L417L380-L413 HydrophobicContact CB-CD1 4.05Å; L380-L413 HydrophobicContact CB-CD2 4.32Å; F381-L413 HydrophobicContact CB-CD2 4.1Å; F381-L413 HydrophobicContact CD2-CD2 4.04Å; V384-L413 HydrophobicContact CG2-CB 4.02Å; V384-L413 HydrophobicContact CG2-CD1 3.64Å; V384-L413 HydrophobicContact CG2-CG 4.28Å; I405-L413 HydrophobicContact CD1-CD1 3.43Å; I405-L413 VanDerWaalsContact CD1-CD1 3.43Å; V409-L413 HydrophobicContact CG1-CD1 4.21Å; V409-L413 WeakPolarHBondContact O-CG 3.07Å; V409-L413 PolarHBondContact O-N 3.48Å; A410-L413 PolarHBondContact O-N 2.95Å; L413-N415 PolarHBondContact O-N 3.41Å; L413-R416 CarbonylContact O-C 3.55Å; L413-R416 WeakPolarHBondContact O-CA 3.42Å; L413-R416 WeakPolarHBondContact O-CB 3.36Å; L413-R416 PolarHBondContact O-N 3.04Å; L413-R416 VanDerWaalsContact O-N 3.08Å; L413-L417 PolarHBondContact O-N 3.05Å
414F96.2Very high93.1Very high15 Ų1559.5 Ų59.57%0.06629%0.294CS..Hα-helixtrans-59.6-44.4174.5-174.9-95.2000112V394 P396 I399 A410 R411 R416 L417 I418 I423 K433V394-F414 HydrophobicContact CG2-CD2 4.49Å; V394-F414 HydrophobicContact CG2-CE2 4.29Å; V394-F414 WeakPolarHBondContact O-CE2 3.36Å; P396-F414 HydrophobicContact CB-CB 4.43Å; P396-F414 HydrophobicContact CG-CB 3.99Å; P396-F414 HydrophobicContact CG-CD1 3.76Å; P396-F414 HydrophobicContact CG-CD2 3.94Å; P396-F414 HydrophobicContact CG-CE1 4.13Å; P396-F414 HydrophobicContact CG-CE2 4.32Å; P396-F414 HydrophobicContact CG-CG 3.63Å; P396-F414 HydrophobicContact CG-CZ 4.38Å; I399-F414 HydrophobicContact CD1-CB 4.14Å; I399-F414 HydrophobicContact CD1-CD2 3.89Å; A410-F414 VanDerWaalsContact O-CB 3.29Å; A410-F414 WeakPolarHBondContact O-CB 3.37Å; A410-F414 PolarHBondContact O-N 3.48Å; R411-F414 PolarHBondContact O-N 2.91Å; F414-R416 VanDerWaalsContact C-N 3.28Å; F414-R416 PolarHBondContact O-N 2.98Å; F414-L417 WeakPolarHBondContact O-CB 3.37Å; F414-L417 PolarHBondContact O-N 3.43Å; F414-I418 HydrophobicContact CD1-CD1 3.83Å; F414-I418 HydrophobicContact CE1-CD1 3.65Å; F414-I418 HydrophobicContact CE1-CG1 4.45Å; F414-I418 WeakPolarHBondContact O-CG1 3.4Å; F414-I418 PolarHBondContact O-N 2.9Å; F414-I418 VanDerWaalsContact O-N 3.12Å; F414-I423 HydrophobicContact CD1-CD1 4.39Å; F414-I423 HydrophobicContact CD2-CD1 3.54Å; F414-I423 HydrophobicContact CE1-CD1 4.26Å; F414-I423 HydrophobicContact CE2-CD1 3.36Å; F414-I423 HydrophobicContact CG-CD1 4.08Å; F414-I423 HydrophobicContact CZ-CD1 3.77Å; F414-K433 HydrophobicContact CE1-CD 4.2Å; F414-K433 HydrophobicContact CZ-CB 4.16Å; F414-K433 HydrophobicContact CZ-CD 3.88Å; F414-K433 HydrophobicContact CZ-CG 3.79Å
415N95Very high93.2Very high89 Ų8960.7 Ų60.748%0.47631%0.306SS..Hα-helixtrans-64.4-34.8174.1-69.9-23000112.1R411 G412 L413 I418 K419R411-N415 VanDerWaalsContact O-CG 3.25Å; R411-N415 PolarHBondContact O-N 2.99Å; R411-N415 PolarHBondContact O-ND2 2.87Å; G412-N415 PolarHBondContact O-N 2.89Å; L413-N415 PolarHBondContact O-N 3.41Å; N415-I418 PolarHBondContact O-N 3.21Å; N415-K419 PolarHBondContact O-N 3.37Å
416R94.3Very high93Very high77 Ų7763.7 Ų63.729%0.29134%0.335SS..Hα-helixtrans-66.8-40174.3-170.3175.6173.1-177.31.3111.9F381 G412 L413 F414 I418 K419 E420F381-R416 HydrophobicContact CD2-CB 4.22Å; F381-R416 VanDerWaalsContact CD2-CD 3.47Å; F381-R416 HydrophobicContact CD2-CG 3.91Å; F381-R416 HydrophobicContact CE2-CB 3.81Å; F381-R416 HydrophobicContact CE2-CG 3.48Å; F381-R416 VanDerWaalsContact CE2-CG 3.48Å; F381-R416 HydrophobicContact CZ-CG 3.86Å; G412-R416 PolarHBondContact O-N 2.97Å; L413-R416 CarbonylContact O-C 3.55Å; L413-R416 WeakPolarHBondContact O-CA 3.42Å; L413-R416 WeakPolarHBondContact O-CB 3.36Å; L413-R416 PolarHBondContact O-N 3.04Å; L413-R416 VanDerWaalsContact O-N 3.08Å; F414-R416 VanDerWaalsContact C-N 3.28Å; F414-R416 PolarHBondContact O-N 2.98Å; R416-I418 VanDerWaalsContact C-N 3.3Å; R416-I418 PolarHBondContact O-N 2.75Å; R416-K419 PolarHBondContact O-N 2.83Å; R416-K419 VanDerWaalsContact O-N 3.16Å; R416-E420 HydrophobicContact CG-CG 4.46Å; R416-E420 WeakPolarHBondContact O-CG 3.25Å; R416-E420 PolarHBondContact O-N 2.77Å
417L95.8Very high92.7Very high0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-59.1-41.1172.7-71175.6000112F381 V384 L385 V394 I399 L413 F414 E420 Q421 V422 I423F381-L417 HydrophobicContact CE2-CD2 3.87Å; F381-L417 HydrophobicContact CE2-CG 4.22Å; F381-L417 HydrophobicContact CZ-CD2 4.16Å; V384-L417 HydrophobicContact CG1-CD1 3.47Å; V384-L417 VanDerWaalsContact CG1-CD1 3.47Å; V384-L417 HydrophobicContact CG1-CD2 3.89Å; V384-L417 HydrophobicContact CG1-CG 3.84Å; L385-L417 HydrophobicContact CD2-CD2 3.85Å; V394-L417 HydrophobicContact CG2-CD1 4.22Å; I399-L417 HydrophobicContact CD1-CD1 3.91Å; L413-L417 PolarHBondContact O-N 3.05Å; F414-L417 WeakPolarHBondContact O-CB 3.37Å; F414-L417 PolarHBondContact O-N 3.43Å; L417-E420 PolarHBondContact O-N 2.88Å; L417-Q421 PolarHBondContact O-N 2.89Å; L417-Q421 VanDerWaalsContact O-N 3.14Å; L417-V422 HydrophobicContact CB-CB 4.37Å; L417-V422 HydrophobicContact CD2-CB 3.9Å; L417-V422 HydrophobicContact CD2-CG1 3.85Å; L417-V422 HydrophobicContact CD2-CG2 4.19Å; L417-V422 PolarHBondContact O-N 2.75Å; L417-I423 HydrophobicContact CB-CD1 3.63Å; L417-I423 HydrophobicContact CB-CG1 3.73Å; L417-I423 HydrophobicContact CB-CG2 4.2Å; L417-I423 HydrophobicContact CD1-CD1 3.92Å; L417-I423 HydrophobicContact CD1-CG2 4.09Å; L417-I423 HydrophobicContact CG-CD1 4.49Å
418I94.5Very high92.4Very high55 Ų5558.2 Ų58.228%0.28233%0.326SS..Hα-helixtrans-62.1-45.7174.9-63.6164.9000110.1F414 N415 R416 E420 Q421 I423 K433F414-I418 HydrophobicContact CD1-CD1 3.83Å; F414-I418 HydrophobicContact CE1-CD1 3.65Å; F414-I418 HydrophobicContact CE1-CG1 4.45Å; F414-I418 WeakPolarHBondContact O-CG1 3.4Å; F414-I418 PolarHBondContact O-N 2.9Å; F414-I418 VanDerWaalsContact O-N 3.12Å; N415-I418 PolarHBondContact O-N 3.21Å; R416-I418 VanDerWaalsContact C-N 3.3Å; R416-I418 PolarHBondContact O-N 2.75Å; I418-E420 PolarHBondContact O-N 2.81Å; I418-Q421 PolarHBondContact O-N 3.38Å; I418-I423 HydrophobicContact CG1-CD1 3.86Å; I418-I423 HydrophobicContact CG1-CG1 3.66Å; I418-K433 HydrophobicContact CD1-CD 3.9Å; I418-K433 HydrophobicContact CG1-CD 3.84Å
419K93.7Very high92Very high174 Ų17462.5 Ų62.576%0.75733%0.332SS*.Hα-helixtrans-63.5-40.2-179.6-172.2-178.5178.2-1760112.4N415 R416 Q421N415-K419 PolarHBondContact O-N 3.37Å; R416-K419 PolarHBondContact O-N 2.83Å; R416-K419 VanDerWaalsContact O-N 3.16Å; K419-Q421 PolarHBondContact O-N 3.49Å
420E92.9Very high91.5Very high42 Ų4272 Ų7220%0.19636%0.361CS..THydrogen-bonded Turntrans-76.3-1.3175.1-66.4-64.4158.100112.9F381 R416 L417 I418 V422 Y439 R447F381-E420 HydrophobicContact CE1-CG 4.22Å; F381-E420 HydrophobicContact CZ-CB 4.39Å; F381-E420 HydrophobicContact CZ-CG 3.79Å; R416-E420 HydrophobicContact CG-CG 4.46Å; R416-E420 WeakPolarHBondContact O-CG 3.25Å; R416-E420 PolarHBondContact O-N 2.77Å; L417-E420 PolarHBondContact O-N 2.88Å; I418-E420 PolarHBondContact O-N 2.81Å; E420-V422 HydrophobicContact CB-CG2 4.05Å; E420-V422 PolarHBondContact O-N 2.75Å; E420-Y439 WeakPolarHBondContact O-CE1 3.29Å; E420-Y439 PolarHBondContact O-OH 2.93Å; E420-R447 IonicContact OE2-NH1 3.43Å; E420-R447 PolarHBondContact OE2-NH1 3.16Å
421Q91.9Very high91Very high94 Ų9474.3 Ų74.344%0.43939%0.386SS..THydrogen-bonded Turntrans66.616.8-179.2-59.2-169.937.400115.4L417 I418 K419 I423 Y439L417-Q421 PolarHBondContact O-N 2.89Å; L417-Q421 VanDerWaalsContact O-N 3.14Å; I418-Q421 PolarHBondContact O-N 3.38Å; K419-Q421 PolarHBondContact O-N 3.49Å; Q421-I423 VanDerWaalsContact C-N 3.35Å; Q421-Y439 HydrophobicContact CB-CE1 3.88Å
422V94Very high90.9Very high0 Ų069.1 Ų69.10%037%0.367CS..SBendtrans-70.3-33177.3178.40000111.8L385 C388 L417 E420 V435 E436 L440 V444L385-V422 HydrophobicContact CD2-CG1 4.44Å; L385-V422 HydrophobicContact CD2-CG2 3.93Å; C388-V422 HydrophobicContact CB-CG1 4.44Å; L417-V422 HydrophobicContact CB-CB 4.37Å; L417-V422 HydrophobicContact CD2-CB 3.9Å; L417-V422 HydrophobicContact CD2-CG1 3.85Å; L417-V422 HydrophobicContact CD2-CG2 4.19Å; L417-V422 PolarHBondContact O-N 2.75Å; E420-V422 HydrophobicContact CB-CG2 4.05Å; E420-V422 PolarHBondContact O-N 2.75Å; V422-V435 HydrophobicContact CG1-CG1 4.42Å; V422-E436 PolarHBondContact O-N 3.44Å; V422-L440 HydrophobicContact CG1-CB 4.27Å; V422-L440 HydrophobicContact CG1-CD1 3.88Å; V422-L440 HydrophobicContact CG1-CD2 4.08Å; V422-L440 HydrophobicContact CG1-CG 4.3Å; V422-L440 HydrophobicContact CG2-CD1 4.31Å; V422-V444 HydrophobicContact CG2-CB 4.29Å; V422-V444 HydrophobicContact CG2-CG1 3.97Å; V422-V444 HydrophobicContact CG2-CG2 3.85Å
423I94.5Very high90.8Very high1 Ų170 Ų701%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-125.1129.418068.5-178.6000111.7V394 F414 L417 I418 Q421 K433 L434 V435V394-I423 HydrophobicContact CG2-CD1 4.1Å; V394-I423 HydrophobicContact CG2-CG2 3.73Å; F414-I423 HydrophobicContact CD1-CD1 4.39Å; F414-I423 HydrophobicContact CD2-CD1 3.54Å; F414-I423 HydrophobicContact CE1-CD1 4.26Å; F414-I423 HydrophobicContact CE2-CD1 3.36Å; F414-I423 HydrophobicContact CG-CD1 4.08Å; F414-I423 HydrophobicContact CZ-CD1 3.77Å; L417-I423 HydrophobicContact CB-CD1 3.63Å; L417-I423 HydrophobicContact CB-CG1 3.73Å; L417-I423 HydrophobicContact CB-CG2 4.2Å; L417-I423 HydrophobicContact CD1-CD1 3.92Å; L417-I423 HydrophobicContact CD1-CG2 4.09Å; L417-I423 HydrophobicContact CG-CD1 4.49Å; I418-I423 HydrophobicContact CG1-CD1 3.86Å; I418-I423 HydrophobicContact CG1-CG1 3.66Å; Q421-I423 VanDerWaalsContact C-N 3.35Å; I423-K433 HydrophobicContact CB-CB 3.97Å; I423-K433 HydrophobicContact CD1-CB 4.14Å; I423-K433 HydrophobicContact CD1-CD 4.2Å; I423-K433 HydrophobicContact CG1-CB 4.14Å; I423-K433 HydrophobicContact CG1-CD 4.08Å; I423-L434 CarbonylContact C-O 3.51Å; I423-L434 WeakPolarHBondContact CA-O 3.34Å; I423-V435 HydrophobicContact CG2-CG2 4.09Å
424K90.2Very high90.7Very high78 Ų7873.1 Ų73.134%0.33938%0.376SS..EExtended strand (participates in β ladder)trans-143.9170.7-177-66.2-178.3-175.7166.40110.1L434 E436K424-L434 PolarHBondContact N-O 3.04Å; K424-L434 WeakPolarHBondContact O-CA 3.24Å; K424-L434 WeakPolarHBondContact O-CB 3.14Å; K424-L434 PolarHBondContact O-N 3.45Å; K424-L434 VanDerWaalsContact O-O 3.09Å; K424-E436 HydrophobicContact CB-CG 4.1Å; K424-E436 WeakPolarHBondContact CB-OE1 3.49Å; K424-E436 HydrophobicContact CD-CG 4.04Å; K424-E436 HydrophobicContact CG-CG 4.1Å
425G88.1Confident90.6Very high51 Ų5173.1 Ų73.153%0.52638%0.377SS..SBendtrans65173.4-17900000114K433G425-K433 WeakPolarHBondContact O-CG 3.49Å
426A86.8Confident90.6Very high87 Ų8772.7 Ų72.772%0.71937%0.372SS*.  trans-87.8131.8168.900000108.6
427G85.4Confident90.4Very high14 Ų1472.6 Ų72.614%0.14437%0.373CS..  trans-74.9177.6171.100000112.4R429 E432G427-R429 PolarHBondContact O-N 2.93Å; G427-E432 PolarHBondContact N-O 3.31Å
428P82.7Confident90.1Very high105 Ų10580 Ų8068%0.68241%0.408SS*.SBendtrans-63.8-26.8-178.224.3-31.5000113.1
429R85Confident90Very high182 Ų18280.2 Ų80.269%0.68741%0.406SS*.SBendtrans-112.8157.9177.3-47.6179-149.8-162.72.4112.6G427 G431 E432G427-R429 PolarHBondContact O-N 2.93Å; R429-G431 PolarHBondContact O-N 3.05Å; R429-G431 VanDerWaalsContact O-N 3.12Å; R429-E432 HydrophobicContact CB-CG 4.27Å; R429-E432 VanDerWaalsContact CB-OE2 3.3Å; R429-E432 WeakPolarHBondContact CB-OE2 3.39Å; R429-E432 WeakPolarHBondContact CD-OE1 3.47Å; R429-E432 WeakPolarHBondContact CG-OE2 3.28Å; R429-E432 PolarHBondContact N-OE2 3.3Å; R429-E432 VanDerWaalsContact N-OE2 3.16Å; R429-E432 IonicContact NE-OE1 2.93Å; R429-E432 IonicContact NE-OE2 3.86Å; R429-E432 WeakPolarHBondContact O-CB 3.31Å; R429-E432 PolarHBondContact O-N 3.02Å
430R82.1Confident89.9Confident257 Ų25772 Ų7297%0.9737%0.37SS*.THydrogen-bonded Turntrans-58117.9177.4-174.3-178.7-179.3-173.60.8110.6
431G84.2Confident89.8Confident50 Ų5074.6 Ų74.652%0.51538%0.382SS..THydrogen-bonded Turntrans92.7-1177.700000114.8R429R429-G431 PolarHBondContact O-N 3.05Å; R429-G431 VanDerWaalsContact O-N 3.12Å
432E91.4Very high89.7Confident27 Ų2775.7 Ų75.713%0.12639%0.391CS..  trans-85.1153168.9-72.1170.2-17800111.1S393 V394 G427 R429S393-E432 PolarHBondContact OG-OE2 2.73Å; V394-E432 CarbonylContact O-C 3.58Å; V394-E432 VanDerWaalsContact O-CA 3.27Å; V394-E432 WeakPolarHBondContact O-CA 3.38Å; G427-E432 PolarHBondContact N-O 3.31Å; R429-E432 HydrophobicContact CB-CG 4.27Å; R429-E432 VanDerWaalsContact CB-OE2 3.3Å; R429-E432 WeakPolarHBondContact CB-OE2 3.39Å; R429-E432 WeakPolarHBondContact CD-OE1 3.47Å; R429-E432 WeakPolarHBondContact CG-OE2 3.28Å; R429-E432 PolarHBondContact N-OE2 3.3Å; R429-E432 VanDerWaalsContact N-OE2 3.16Å; R429-E432 IonicContact NE-OE1 2.93Å; R429-E432 IonicContact NE-OE2 3.86Å; R429-E432 WeakPolarHBondContact O-CB 3.31Å; R429-E432 PolarHBondContact O-N 3.02Å
433K92.4Very high89.6Confident61 Ų6179.5 Ų79.527%0.26541%0.411SS..EExtended strand (participates in β ladder)trans-126.9145.1168.6-71.6-169.9167-1640109.2S393 V394 F414 I418 I423 G425S393-K433 CarbonylContact C-O 3.55Å; S393-K433 WeakPolarHBondContact CA-O 3.21Å; S393-K433 WeakPolarHBondContact CB-O 3.47Å; V394-K433 PolarHBondContact N-O 2.76Å; V394-K433 PolarHBondContact O-N 3.44Å; F414-K433 HydrophobicContact CE1-CD 4.2Å; F414-K433 HydrophobicContact CZ-CB 4.16Å; F414-K433 HydrophobicContact CZ-CD 3.88Å; F414-K433 HydrophobicContact CZ-CG 3.79Å; I418-K433 HydrophobicContact CD1-CD 3.9Å; I418-K433 HydrophobicContact CG1-CD 3.84Å; I423-K433 HydrophobicContact CB-CB 3.97Å; I423-K433 HydrophobicContact CD1-CB 4.14Å; I423-K433 HydrophobicContact CD1-CD 4.2Å; I423-K433 HydrophobicContact CG1-CB 4.14Å; I423-K433 HydrophobicContact CG1-CD 4.08Å; G425-K433 WeakPolarHBondContact O-CG 3.49Å
434L93.7Very high89.4Confident77 Ų7779.5 Ų79.540%0.40341%0.411SS..EExtended strand (participates in β ladder)trans-71.5142.9178.4-61.8172.1000109.8D392 I423 K424D392-L434 WeakPolarHBondContact O-CA 3.45Å; I423-L434 CarbonylContact C-O 3.51Å; I423-L434 WeakPolarHBondContact CA-O 3.34Å; K424-L434 PolarHBondContact N-O 3.04Å; K424-L434 WeakPolarHBondContact O-CA 3.24Å; K424-L434 WeakPolarHBondContact O-CB 3.14Å; K424-L434 PolarHBondContact O-N 3.45Å; K424-L434 VanDerWaalsContact O-O 3.09Å
435V94.5Very high89.4Confident14 Ų1476.3 Ų76.39%0.08540%0.398CS..EExtended strand (participates in β ladder)trans-85.6125.8173.9-178.30000108.9C388 E391 D392 V394 V422 I423 K437 L440C388-V435 HydrophobicContact CB-CG1 3.95Å; C388-V435 HydrophobicContact CB-CG2 4.15Å; E391-V435 VanDerWaalsContact O-CG2 3.25Å; E391-V435 WeakPolarHBondContact O-CG2 3.37Å; D392-V435 PolarHBondContact O-N 3.39Å; V394-V435 HydrophobicContact CG1-CG2 4.12Å; V394-V435 HydrophobicContact CG2-CG2 4.26Å; V422-V435 HydrophobicContact CG1-CG1 4.42Å; I423-V435 HydrophobicContact CG2-CG2 4.09Å; V435-K437 VanDerWaalsContact C-N 3.26Å; V435-K437 HydrophobicContact CG1-CG 4.33Å; V435-K437 PolarHBondContact O-N 3.35Å; V435-L440 HydrophobicContact CG1-CD2 3.83Å
436E94.2Very high89.5Confident80 Ų8076.4 Ų76.437%0.37439%0.39SS..  trans-77.476.9172.5-65.5-73.6177.900108.8V422 K424 E438 Y439 L440V422-E436 PolarHBondContact O-N 3.44Å; K424-E436 HydrophobicContact CB-CG 4.1Å; K424-E436 WeakPolarHBondContact CB-OE1 3.49Å; K424-E436 HydrophobicContact CD-CG 4.04Å; K424-E436 HydrophobicContact CG-CG 4.1Å; E436-E438 PolarHBondContact O-N 3.08Å; E436-Y439 PolarHBondContact O-N 2.97Å; E436-Y439 VanDerWaalsContact O-N 3.12Å; E436-L440 WeakPolarHBondContact O-CB 3.41Å; E436-L440 PolarHBondContact O-N 3.28Å
437K90.6Very high89.7Confident75 Ų7579.4 Ų79.433%0.32638%0.382SS..Hα-helixtrans-54.2-47.9-171-71.1-167-179.8-178.20113.2D392 V435 Y439 L440 E441D392-K437 WeakPolarHBondContact OD1-CE 3.35Å; D392-K437 IonicContact OD1-NZ 2.62Å; D392-K437 PolarHBondContact OD1-NZ 2.98Å; V435-K437 VanDerWaalsContact C-N 3.26Å; V435-K437 HydrophobicContact CG1-CG 4.33Å; V435-K437 PolarHBondContact O-N 3.35Å; K437-Y439 VanDerWaalsContact C-N 3.32Å; K437-Y439 PolarHBondContact O-N 3.2Å; K437-L440 WeakPolarHBondContact O-CB 3.29Å; K437-L440 PolarHBondContact O-N 3.19Å; K437-E441 WeakPolarHBondContact O-CB 3.47Å; K437-E441 WeakPolarHBondContact O-CG 3.21Å; K437-E441 PolarHBondContact O-N 2.75Å
438E89.5Confident89.9Confident157 Ų15780 Ų8073%0.73438%0.381SS*.Hα-helixtrans-61.4-39.9179.6-66.3-177.117700112.4E436 N442E436-E438 PolarHBondContact O-N 3.08Å; E438-N442 VanDerWaalsContact O-CB 3.24Å; E438-N442 WeakPolarHBondContact O-CB 3.42Å; E438-N442 PolarHBondContact O-N 3.31Å; E438-N442 PolarHBondContact O-ND2 2.93Å
439Y92.7Very high90.2Very high59 Ų5975.7 Ų75.723%0.23135%0.351CS..Hα-helixtrans-71.5-39.5177.9179.2-93.9000111.5E420 Q421 E436 K437 I443 V444E420-Y439 WeakPolarHBondContact O-CE1 3.29Å; E420-Y439 PolarHBondContact O-OH 2.93Å; Q421-Y439 HydrophobicContact CB-CE1 3.88Å; E436-Y439 PolarHBondContact O-N 2.97Å; E436-Y439 VanDerWaalsContact O-N 3.12Å; K437-Y439 VanDerWaalsContact C-N 3.32Å; K437-Y439 PolarHBondContact O-N 3.2Å; Y439-I443 HydrophobicContact CD2-CB 4.17Å; Y439-I443 HydrophobicContact CD2-CD1 3.65Å; Y439-I443 HydrophobicContact CD2-CG1 4.17Å; Y439-I443 HydrophobicContact CE2-CB 4.07Å; Y439-I443 HydrophobicContact CE2-CD1 3.69Å; Y439-I443 HydrophobicContact CE2-CG1 4.33Å; Y439-I443 HydrophobicContact CE2-CG2 3.99Å; Y439-I443 WeakPolarHBondContact O-CB 3.13Å; Y439-I443 PolarHBondContact O-N 3.11Å; Y439-V444 HydrophobicContact CD1-CG2 3.79Å; Y439-V444 HydrophobicContact CE1-CG2 3.34Å; Y439-V444 PolarHBondContact O-N 2.91Å
440L92Very high90.1Very high0 Ų069.4 Ų69.40%034%0.335CS..Iπ-helixtrans-60.4-53.5174.9176.355.7000110.7L385 C388 L389 V422 V435 E436 K437 V444 C445L385-L440 HydrophobicContact CB-CD1 4.37Å; L385-L440 HydrophobicContact CD2-CD1 3.75Å; C388-L440 HydrophobicContact CB-CD2 3.48Å; C388-L440 VanDerWaalsContact CB-CD2 3.48Å; L389-L440 HydrophobicContact CD2-CD2 3.85Å; L389-L440 HydrophobicContact CD2-CG 3.85Å; L389-L440 HydrophobicContact CG-CD2 4.11Å; L389-L440 HydrophobicContact CG-CG 4.45Å; V422-L440 HydrophobicContact CG1-CB 4.27Å; V422-L440 HydrophobicContact CG1-CD1 3.88Å; V422-L440 HydrophobicContact CG1-CD2 4.08Å; V422-L440 HydrophobicContact CG1-CG 4.3Å; V422-L440 HydrophobicContact CG2-CD1 4.31Å; V435-L440 HydrophobicContact CG1-CD2 3.83Å; E436-L440 WeakPolarHBondContact O-CB 3.41Å; E436-L440 PolarHBondContact O-N 3.28Å; K437-L440 WeakPolarHBondContact O-CB 3.29Å; K437-L440 PolarHBondContact O-N 3.19Å; L440-V444 HydrophobicContact CD1-CB 4.02Å; L440-V444 HydrophobicContact CD1-CG1 4.1Å; L440-V444 PolarHBondContact O-N 3.49Å; L440-C445 WeakPolarHBondContact O-CB 3.4Å; L440-C445 PolarHBondContact O-N 2.61Å; L440-C445 PolarHBondContact O-SG 3.25Å; L440-C445 VanDerWaalsContact O-SG 3.34Å
441E90.6Very high89.3Confident97 Ų9763.4 Ų63.445%0.45332%0.318SS..Iπ-helixtrans-66.6-44.3-176.9-72.3173.3-174.900112.9L389 K437 P446L389-E441 HydrophobicContact CD2-CG 3.53Å; K437-E441 WeakPolarHBondContact O-CB 3.47Å; K437-E441 WeakPolarHBondContact O-CG 3.21Å; K437-E441 PolarHBondContact O-N 2.75Å; E441-P446 VanDerWaalsContact O-CD 3.31Å; E441-P446 WeakPolarHBondContact O-CD 3.37Å
442N89.9Confident87.5Confident117 Ų11768 Ų6863%0.62633%0.331SS*.Iπ-helixtrans-91.1-23.7-171.2-64.3-57.4000114.5E438E438-N442 VanDerWaalsContact O-CB 3.24Å; E438-N442 WeakPolarHBondContact O-CB 3.42Å; E438-N442 PolarHBondContact O-N 3.31Å; E438-N442 PolarHBondContact O-ND2 2.93Å
443I90.8Very high84.8Confident81 Ų8170.6 Ų70.642%0.41535%0.352SS..Iπ-helixtrans-118.5-48.5-173.3-55.2-166.3000111.4Y439 R447Y439-I443 HydrophobicContact CD2-CB 4.17Å; Y439-I443 HydrophobicContact CD2-CD1 3.65Å; Y439-I443 HydrophobicContact CD2-CG1 4.17Å; Y439-I443 HydrophobicContact CE2-CB 4.07Å; Y439-I443 HydrophobicContact CE2-CD1 3.69Å; Y439-I443 HydrophobicContact CE2-CG1 4.33Å; Y439-I443 HydrophobicContact CE2-CG2 3.99Å; Y439-I443 WeakPolarHBondContact O-CB 3.13Å; Y439-I443 PolarHBondContact O-N 3.11Å; I443-R447 WeakPolarHBondContact O-CD 3.26Å; I443-R447 VanDerWaalsContact O-CG 3.29Å; I443-R447 WeakPolarHBondContact O-CG 3.25Å
444V91.3Very high82.1Confident0 Ų076 Ų760%038%0.383CS..Iπ-helixtrans-81.5-48-173-178.70000111.2L385 V422 Y439 L440 R447 F448L385-V444 HydrophobicContact CD1-CG1 3.94Å; L385-V444 HydrophobicContact CD2-CG1 3.71Å; L385-V444 HydrophobicContact CG-CG1 4.48Å; V422-V444 HydrophobicContact CG2-CB 4.29Å; V422-V444 HydrophobicContact CG2-CG1 3.97Å; V422-V444 HydrophobicContact CG2-CG2 3.85Å; Y439-V444 HydrophobicContact CD1-CG2 3.79Å; Y439-V444 HydrophobicContact CE1-CG2 3.34Å; Y439-V444 PolarHBondContact O-N 2.91Å; L440-V444 HydrophobicContact CD1-CB 4.02Å; L440-V444 HydrophobicContact CD1-CG1 4.1Å; L440-V444 PolarHBondContact O-N 3.49Å; V444-R447 WeakPolarHBondContact O-CB 3.43Å; V444-R447 PolarHBondContact O-N 2.89Å; V444-R447 VanDerWaalsContact O-N 3.08Å; V444-F448 HydrophobicContact CG1-CD2 3.69Å; V444-F448 HydrophobicContact CG1-CE2 3.84Å; V444-F448 WeakPolarHBondContact O-CD2 3.49Å; V444-F448 PolarHBondContact O-N 3Å
445C90.1Very high79.3Confident11 Ų1180.6 Ų80.67%0.07440%0.402CS..Hα-helixtrans-56.2-47-178.8-77.90000112.8L440 R447 F448 F449L440-C445 WeakPolarHBondContact O-CB 3.4Å; L440-C445 PolarHBondContact O-N 2.61Å; L440-C445 PolarHBondContact O-SG 3.25Å; L440-C445 VanDerWaalsContact O-SG 3.34Å; C445-R447 VanDerWaalsContact C-N 3.28Å; C445-R447 PolarHBondContact O-N 2.7Å; C445-F448 PolarHBondContact O-N 3.33Å; C445-F448 VanDerWaalsContact O-N 3.11Å; C445-F449 HydrophobicContact CB-CD2 4.02Å; C445-F449 WeakPolarHBondContact O-CB 3.36Å; C445-F449 VanDerWaalsContact O-CD2 3.24Å; C445-F449 WeakPolarHBondContact O-CD2 3.37Å; C445-F449 PolarHBondContact O-N 3.34Å
446P89.8Confident76.2Confident54 Ų5486.3 Ų86.335%0.35143%0.432SS..Hα-helixtrans-57.9-39.4176.3-28.136.8000113E441 F448 S450E441-P446 VanDerWaalsContact O-CD 3.31Å; E441-P446 WeakPolarHBondContact O-CD 3.37Å; P446-F448 VanDerWaalsContact C-N 3.32Å; P446-F448 PolarHBondContact O-N 2.72Å; P446-S450 VanDerWaalsContact CA-OG 3.29Å; P446-S450 WeakPolarHBondContact CA-OG 3.14Å; P446-S450 WeakPolarHBondContact O-CB 3.12Å; P446-S450 PolarHBondContact O-N 2.84Å; P446-S450 PolarHBondContact O-OG 3.21Å
447R89.8Confident73.1Confident149 Ų14990.6 Ų90.656%0.56245%0.45SS*.Hα-helixtrans-63.8-36.7178.4-67.8173.268.9-153.3-2.2112.6E420 I443 V444 C445E420-R447 IonicContact OE2-NH1 3.43Å; E420-R447 PolarHBondContact OE2-NH1 3.16Å; I443-R447 WeakPolarHBondContact O-CD 3.26Å; I443-R447 VanDerWaalsContact O-CG 3.29Å; I443-R447 WeakPolarHBondContact O-CG 3.25Å; V444-R447 WeakPolarHBondContact O-CB 3.43Å; V444-R447 PolarHBondContact O-N 2.89Å; V444-R447 VanDerWaalsContact O-N 3.08Å; C445-R447 VanDerWaalsContact C-N 3.28Å; C445-R447 PolarHBondContact O-N 2.7Å
448F89.8Confident70.1Confident26 Ų2693.6 Ų93.611%0.11447%0.474CS..Hα-helixtrans-94-23.6-175.6-75.1-86.3000113.8R333 F381 R382 L385 V444 C445 P446R333-F448 PolarHBondContact NE-O 3.32Å; F381-F448 HydrophobicContact CD1-CD1 4.22Å; F381-F448 AromaticContact CD1-CE1 3.64Å; F381-F448 HydrophobicContact CD1-CE1 3.64Å; F381-F448 AromaticContact CD1-CZ 3.83Å; F381-F448 HydrophobicContact CD1-CZ 3.83Å; F381-F448 AromaticContact CE1-CE1 3.83Å; F381-F448 HydrophobicContact CE1-CE1 3.83Å; F381-F448 AromaticContact CE1-CE2 3.93Å; F381-F448 HydrophobicContact CE1-CE2 3.93Å; F381-F448 AromaticContact CE1-CZ 3.5Å; F381-F448 HydrophobicContact CE1-CZ 3.5Å; R382-F448 HydrophobicContact CG-CD1 4.48Å; R382-F448 PolarHBondContact NE-O 2.64Å; L385-F448 HydrophobicContact CD1-CB 3.83Å; L385-F448 HydrophobicContact CD1-CD1 4.08Å; L385-F448 HydrophobicContact CD1-CD2 3.54Å; L385-F448 HydrophobicContact CD1-CE2 4.14Å; L385-F448 HydrophobicContact CD1-CG 3.52Å; V444-F448 HydrophobicContact CG1-CD2 3.69Å; V444-F448 HydrophobicContact CG1-CE2 3.84Å; V444-F448 WeakPolarHBondContact O-CD2 3.49Å; V444-F448 PolarHBondContact O-N 3Å; C445-F448 PolarHBondContact O-N 3.33Å; C445-F448 VanDerWaalsContact O-N 3.11Å; P446-F448 VanDerWaalsContact C-N 3.32Å; P446-F448 PolarHBondContact O-N 2.72Å
449F90.3Very high67.3Low15 Ų1591.3 Ų91.37%0.06648%0.476CS..Hα-helixtrans-117.5-16.8-171.4-58.3-69.6000115V330 R333 L335 R382 L385 C445V330-F449 HydrophobicContact CG2-CE1 3.62Å; V330-F449 HydrophobicContact CG2-CZ 3.97Å; R333-F449 HydrophobicContact CB-CD1 4.35Å; L335-F449 HydrophobicContact CD1-CB 4.08Å; L335-F449 HydrophobicContact CD1-CD1 4.27Å; L335-F449 HydrophobicContact CD1-CD2 3.67Å; L335-F449 HydrophobicContact CD1-CE2 4.19Å; L335-F449 HydrophobicContact CD1-CG 3.74Å; L335-F449 HydrophobicContact CD2-CD1 3.91Å; L335-F449 HydrophobicContact CD2-CD2 4.06Å; L335-F449 HydrophobicContact CD2-CE1 3.68Å; L335-F449 HydrophobicContact CD2-CE2 3.82Å; L335-F449 HydrophobicContact CD2-CG 4.13Å; L335-F449 HydrophobicContact CD2-CZ 3.63Å; L335-F449 HydrophobicContact CG-CB 4.36Å; L335-F449 HydrophobicContact CG-CD1 3.81Å; L335-F449 HydrophobicContact CG-CD2 4.05Å; L335-F449 HydrophobicContact CG-CE1 4.13Å; L335-F449 HydrophobicContact CG-CE2 4.33Å; L335-F449 HydrophobicContact CG-CG 3.81Å; L335-F449 HydrophobicContact CG-CZ 4.38Å; R382-F449 HydrophobicContact CB-CE1 3.97Å; R382-F449 HydrophobicContact CB-CZ 4.05Å; R382-F449 HydrophobicContact CG-CE1 4.08Å; R382-F449 HydrophobicContact CG-CZ 4.29Å; L385-F449 HydrophobicContact CB-CE2 4.18Å; L385-F449 HydrophobicContact CB-CZ 4.28Å; L385-F449 HydrophobicContact CD1-CE2 4.36Å; C445-F449 HydrophobicContact CB-CD2 4.02Å; C445-F449 WeakPolarHBondContact O-CB 3.36Å; C445-F449 VanDerWaalsContact O-CD2 3.24Å; C445-F449 WeakPolarHBondContact O-CD2 3.37Å; C445-F449 PolarHBondContact O-N 3.34Å
450S82Confident64.4Low50 Ų5096.6 Ų96.635%0.3551%0.505SS..  trans-79.6128.3-177.9-58.80000115.1R333 P446 N452R333-S450 PolarHBondContact NH1-O 3.11Å; R333-S450 VanDerWaalsContact NH1-O 3.07Å; R333-S450 VanDerWaalsContact NH2-C 3.35Å; R333-S450 PolarHBondContact NH2-O 2.95Å; P446-S450 VanDerWaalsContact CA-OG 3.29Å; P446-S450 WeakPolarHBondContact CA-OG 3.14Å; P446-S450 WeakPolarHBondContact O-CB 3.12Å; P446-S450 PolarHBondContact O-N 2.84Å; P446-S450 PolarHBondContact O-OG 3.21Å; S450-N452 PolarHBondContact O-N 2.73Å
451H65.1Low61.5Low131 Ų131103 Ų10361%0.60654%0.544SS*.  trans-69.518.5-179.2-77.6-87.4000116.6S453H451-S453 PolarHBondContact O-N 3.22Å
452N47.5Very low58.6Low147 Ų147103.2 Ų103.279%0.78656%0.556SS**  trans-62.8108.5179.6-74.91.6000110.4S450S450-N452 PolarHBondContact O-N 2.73Å
453S33.6Very low55.7Low82 Ų82104 Ų10457%0.57357%0.567SS**  trans-49.5139.1172177.10000109.9H451 H455H451-S453 PolarHBondContact O-N 3.22Å; S453-H455 PolarHBondContact O-N 2.9Å
454L35.5Very low53Low175 Ų175108.4 Ų108.492%0.91659%0.586SS**THydrogen-bonded Turntrans-65.739.3178.2-79.8167.4000113.9
455H35.5Very low50.1Low173 Ų173115 Ų11580%0.80162%0.618SS**THydrogen-bonded Turntrans-109.5-4.2175-93.9-67.7000115.2S453S453-H455 PolarHBondContact O-N 2.9Å
456D29.3Very low47.2Very low134 Ų134123.4 Ų123.472%0.71766%0.661SS**SBendtrans-110.892.5169.6-103.5-35.1000112.4
457K29.6Very low44.5Very low170 Ų170126.3 Ų126.374%0.73968%0.678SS**  trans58.6104.3135-67.6172.4-174.4158.50118.8
458T28.2Very low41.5Very low138 Ų138124.1 Ų124.185%0.84769%0.692SS**  37.991123.143.30000117
459S30Very low38.8Very low109 Ų109132.3 Ų132.376%0.76273%0.731SS**  -167129.3126.462.10000111.7
460M30.6Very low35.8Very low170 Ų170141.2 Ų141.284%0.83777%0.77SS**  trans81.492.5146.3-52.1-115.697.400120
461V32Very low33.3Very low135 Ų135145 Ų14582%0.81879%0.792SS**  trans93.8115.7131.9-168.30000119.7
462S28.9Very low31.6Very low101 Ų101145.5 Ų145.571%0.70681%0.805SS**  trans-60.5148.8-178.6-58.20000116.7
463P29.8Very low30.5Very low133 Ų133144.7 Ų144.786%0.86481%0.806SS**  trans-88.7113.8161.916.5-0.4000111
464Q34.4Very low30.3Very low173 Ų173148.8 Ų148.881%0.80882%0.819SS**  trans-136138.1166.5-90.7-171-1.400110.9
465M30.6Very low29.8Very low139 Ų139150.8 Ų150.869%0.68582%0.815SS**  trans84.596.1159.1-53.5-87.391.600118.6
466L29.6Very low29.2Very low187 Ų187153 Ų15398%0.97982%0.816SS**  trans-131.381.6138.1-82.9169.4000107.9
467T32.8Very low29Very low115 Ų115153 Ų15371%0.70682%0.821SS**  trans-111.7137.6160.546.50000108.9
468A26.8Very low29Very low103 Ų103150.9 Ų150.985%0.85183%0.825SS**  trans-56.9138.9-169.100000115.5
469Q33.1Very low29Very low198 Ų198147.7 Ų147.793%0.92582%0.819SS**  trans-141.5131.5151.3-69.6-167.9-4.600111.4
470K27.6Very low29.1Very low203 Ų203152.1 Ų152.188%0.88383%0.825SS**PPolyproline II helixtrans-64.9151.8-179.5-68.6169.3173.2176.50112
471P28.7Very low29Very low128 Ų128155.9 Ų155.983%0.83183%0.829SS**PPolyproline II helixtrans-88.7123.1171.432.4-27.2000111.3
472T29.3Very low29Very low143 Ų143152.8 Ų152.888%0.87782%0.818SS**PPolyproline II helixtrans-88.2135.7163.228.60000110.7
473T24.1Very low29.4Very low130 Ų130155.9 Ų155.980%0.79882%0.821SS**PPolyproline II helixtrans-71.6134.1-177.143.30000114.4
474I29.5Very low29.6Very low167 Ų167156.1 Ų156.186%0.85682%0.815SS**  trans-148105.8147.1-57.8-174.4000111.9
475R24.6Very low29.6Very low217 Ų217151.7 Ų151.782%0.81981%0.808SS**  trans26.1120.9134.1-92.3178169.2-172.8-2.9120.2
476R23.5Very low29.8Very low220 Ų220150.4 Ų150.483%0.8381%0.813SS**  63.6124.695.7-75.7-170.6177.3-174.4-0.4113.3
477T25.7Very low30.1Very low133 Ų133150.6 Ų150.682%0.81681%0.806SS**  cis-173.9169.642.490000111.5
478P29.6Very low30.1Very low127 Ų127149.9 Ų149.983%0.82581%0.806SS**  trans-115.4173.2-161.841.5-30.7000115.9
479G27.9Very low30.4Very low70 Ų70151 Ų15172%0.72280%0.802SS**  trans175.1127.5160.500000119.1
480K32Very low30.5Very low203 Ų203146.4 Ų146.488%0.88379%0.792SS**  trans81.7113.4149.9-61.8-180177.1-179.80118.5
481R28.4Very low30.7Very low248 Ų248145.4 Ų145.494%0.93679%0.79SS**  62.8137.177.9-75.4-169.3-170.8-169.82.8112.3
482A32Very low31.1Very low71 Ų71149.6 Ų149.659%0.58780%0.795SS**  cis-176.21802.500000109.1
483H36.9Very low31.3Very low165 Ų165150.7 Ų150.776%0.76479%0.79SS**  trans78.3145.4162-63.2-80.4000117.8
484D34.7Very low31.9Very low138 Ų138154.8 Ų154.874%0.73879%0.793SS**  cis-170.6159.3-9.4-116.5-23.3000109.4
485A34.4Very low32.2Very low80 Ų80152.4 Ų152.466%0.66178%0.782SS**  trans66.6107.614000000124.4
486S34.7Very low32.7Very low112 Ų112149.4 Ų149.478%0.78378%0.777SS**  69.6141.3106.4-49.90000124.6
487K36.4Very low33.4Very low191 Ų191145 Ų14583%0.8377%0.769SS**  trans94.8109.3151.8-77.8179.9177.4-178.50118
488S32.7Very low33.7Very low101 Ų101147.1 Ų147.171%0.70677%0.767SS**  91.9144.588.778.90000110.1
489T32.2Very low33.9Very low127 Ų127147.5 Ų147.578%0.77976%0.763SS**  cis-179.1175.825.7-1.70000108.7
490S35.8Very low34.3Very low100 Ų100149 Ų14970%0.69976%0.76SS**  trans88.7104.7161.774.50000116.9
491E32.1Very low34.5Very low182 Ų182144.7 Ų144.785%0.8576%0.755SS**  84.8117.168.8-80.2175.6177.200112.8
492K36.9Very low34.9Very low216 Ų216141.5 Ų141.594%0.93975%0.751SS**  -175.1141.4120.1-96.6167.9-172.8-176.80112.3
493E32.5Very low34.9Very low166 Ų166144.8 Ų144.878%0.77676%0.759SS**  trans-111.7151-164.4178.6177.9-147.700109.1
494Y36.8Very low34.9Very low216 Ų216148.1 Ų148.185%0.84777%0.766SS**  trans-160.6106.3153.1-89.6-75.6000105.6
495D35.7Very low34.8Very low118 Ų118153.3 Ų153.363%0.63178%0.775SS**  67.9139.893-87.6-9.9000113.5
496E36.4Very low34.9Very low153 Ų153154.2 Ų154.272%0.71578%0.783SS**  cis179.3165.6-12-157.1-177.7-158.800104.7
497L37.2Very low34.7Very low127 Ų127154.1 Ų154.167%0.66578%0.782SS**  trans112.7102.9150.5-55.3168.5000121.4
498F33.4Very low34.6Very low178 Ų178151 Ų15178%0.78178%0.782SS**  71.9138.9125.7-88.7-113.7000120.8
499N33.2Very low34.6Very low136 Ų136152.3 Ų152.373%0.72779%0.785SS**  cis-171.8155.3-14.7-154.524.5000106.9
500P35.3Very low34.4Very low101 Ų101152.7 Ų152.766%0.65679%0.788SS**  trans-105.1163.6-170.539-29000113.8
501S36.7Very low34.2Very low113 Ų113153.4 Ų153.479%0.7979%0.793SS**  trans168.4136.3160.1-78.80000106.4
502Q36.8Very low34.5Very low181 Ų181153.9 Ų153.985%0.84679%0.792SS**  cis-165.8158.627.9-114.1164.70.300109.1
503D32.1Very low34.7Very low140 Ų140149 Ų14975%0.74977%0.768SS**  trans-45151.9178.4-60.4-69.9000116.9
504Y37.8Very low35.5Very low235 Ų235151.9 Ų151.992%0.92277%0.771SS**  -167.1135.6116.8-93.4-70.7000111.3
505R32.2Very low36.3Very low247 Ų247147.4 Ų147.493%0.93276%0.756SS**  trans-55.6133.5179.8-68.8168167.4-172.8-5113.8
506A36.8Very low37.3Very low98 Ų98143 Ų14381%0.8173%0.732SS**  trans-156.6121.1144.300000110.1
507S30.7Very low38.5Very low111 Ų111136.6 Ų136.678%0.77670%0.703SS**  trans-58.7139176.6-48.50000111.6T509S507-T509 PolarHBondContact O-N 3.05Å; S507-T509 VanDerWaalsContact O-N 3.09Å
508P34Very low40.1Very low126 Ų126130.6 Ų130.682%0.81867%0.672SS**  trans-77.1102.7172.929.3-28.4000109.1T510P508-T510 PolarHBondContact O-N 3.09Å
509T31.7Very low41.6Very low128 Ų128122.5 Ų122.579%0.78564%0.637SS**  trans-55.1127.8159.444.50000108.7S507 S511S507-T509 PolarHBondContact O-N 3.05Å; S507-T509 VanDerWaalsContact O-N 3.09Å; T509-S511 VanDerWaalsContact C-N 3.34Å; T509-S511 PolarHBondContact O-N 2.98Å
510T29.5Very low43.5Very low135 Ų135116.4 Ų116.483%0.82861%0.605SS**  trans-60.895.7171.843.50000109.1P508 K512P508-T510 PolarHBondContact O-N 3.09Å; T510-K512 PolarHBondContact O-N 3.22Å
511S31.5Very low45.1Very low115 Ų115115.2 Ų115.280%0.80460%0.596SS**  trans-67.4100173.7-159.70000107.5T509 R513T509-S511 VanDerWaalsContact C-N 3.34Å; T509-S511 PolarHBondContact O-N 2.98Å; S511-R513 PolarHBondContact O-N 2.97Å
512K38.2Very low46.9Very low192 Ų192111.4 Ų111.484%0.83557%0.568SS**  trans-58.8105.1171.5-75.7-178.5177.8177.90107.2T510 R514T510-K512 PolarHBondContact O-N 3.22Å; K512-R514 PolarHBondContact O-N 2.64Å; K512-R514 VanDerWaalsContact O-N 3.16Å
513R40.7Very low49Very low114 Ų114104 Ų10443%0.4353%0.534SS..PPolyproline II helixtrans-52121.2175.8-155.8170.7-178.7-168.2-12.5108D196 T199 S511D196-R513 PolarHBondContact O-NH1 2.79Å; D196-R513 PolarHBondContact O-NH2 3.01Å; T199-R513 PolarHBondContact O-NH2 3.46Å; S511-R513 PolarHBondContact O-N 2.97Å
514R48.7Very low51.2Low225 Ų225100.8 Ų100.885%0.84952%0.523SS*.PPolyproline II helixtrans-64.5136.6-177.8-75-177.8175.9179.4-1.8108.8K512 M516K512-R514 PolarHBondContact O-N 2.64Å; K512-R514 VanDerWaalsContact O-N 3.16Å; R514-M516 PolarHBondContact O-N 3.1Å
515K54.6Low53.1Low122 Ų12290.1 Ų90.153%0.5348%0.482SS..PPolyproline II helixtrans-62.1120179.4-172179.8178.2-173.80109.5D517K515-D517 PolarHBondContact O-N 3.1Å
516M55.5Low55Low25 Ų2582.5 Ų82.512%0.12347%0.467CS..  trans-86.5100.7-179.8-69.9-178.765.600110.5Y194 D196 E201 R514Y194-M516 HydrophobicContact CD2-CB 4.49Å; D196-M516 PolarHBondContact OD1-N 2.85Å; E201-M516 HydrophobicContact CB-CE 4.48Å; E201-M516 HydrophobicContact CB-SD 4.42Å; E201-M516 HydrophobicContact CG-SD 4.01Å; E201-M516 WeakPolarHBondContact O-CE 3.46Å; R514-M516 PolarHBondContact O-N 3.1Å
517D62.9Low56.8Low19 Ų1979.7 Ų79.710%0.10244%0.435CS..EExtended strand (participates in β ladder)trans-101.9143.4171.7-77.4-18.6000110K191 Q193 A211 K515K191-D517 WeakPolarHBondContact CE-OD2 3.21Å; K191-D517 IonicContact NZ-OD2 3.55Å; K191-D517 PolarHBondContact NZ-OD2 3.05Å; Q193-D517 WeakPolarHBondContact CG-OD1 3.45Å; Q193-D517 PolarHBondContact NE2-OD1 3.24Å; A211-D517 PolarHBondContact N-O 3.04Å; K515-D517 PolarHBondContact O-N 3.1Å
518M69.1Low57.9Low2 Ų285.9 Ų85.91%0.0145%0.452CS..EExtended strand (participates in β ladder)trans-126144.4174.7-75.7-164.7155.100111.4K191 L192 Y194 Y203 V204 P205 F208 K209 R210K191-M518 CarbonylContact C-O 3.5Å; K191-M518 WeakPolarHBondContact CA-O 3.1Å; L192-M518 HydrophobicContact CB-CB 4.37Å; L192-M518 PolarHBondContact N-O 3.04Å; L192-M518 PolarHBondContact O-N 3.06Å; Y194-M518 HydrophobicContact CE2-CB 4.18Å; Y194-M518 HydrophobicContact CE2-CG 3.7Å; Y194-M518 HydrophobicContact CE2-SD 3.59Å; Y194-M518 VanDerWaalsContact CE2-SD 3.59Å; Y194-M518 PolarHBondContact OH-SD 2.9Å; Y203-M518 WeakPolarHBondContact O-CE 3.48Å; V204-M518 HydrophobicContact CB-CE 4.01Å; V204-M518 HydrophobicContact CG1-CE 3.99Å; V204-M518 HydrophobicContact CG1-SD 4.39Å; V204-M518 HydrophobicContact CG2-CE 3.75Å; P205-M518 WeakPolarHBondContact CD-SD 3.48Å; P205-M518 HydrophobicContact CG-SD 4.2Å; F208-M518 HydrophobicContact CB-CB 4.38Å; F208-M518 HydrophobicContact CB-SD 4.48Å; K209-M518 WeakPolarHBondContact O-CA 2.78Å; R210-M518 HydrophobicContact CB-CE 4.39Å; R210-M518 HydrophobicContact CG-CE 3.44Å; R210-M518 VanDerWaalsContact CG-CE 3.44Å
519A65.4Low59.1Low7 Ų783.9 Ų83.96%0.05843%0.434CS..EExtended strand (participates in β ladder)trans-134.4156.8176.600000110.1K209 A211 V214K209-A519 PolarHBondContact N-O 3.45Å; K209-A519 PolarHBondContact O-N 3.41Å; K209-A519 VanDerWaalsContact O-N 3.07Å; K209-A519 VanDerWaalsContact O-O 3.07Å; A211-A519 HydrophobicContact CB-CB 3.52Å; V214-A519 HydrophobicContact CG2-CB 4Å
520N73.7Confident60.6Low9 Ų981.6 Ų81.65%0.04842%0.415CS..  trans-96.8174.6173.258.621.2000111W83 T189 M190 G207 F208 P522W83-N520 HydrophobicContact CD2-CB 4.42Å; W83-N520 VanDerWaalsContact CE2-CG 3.45Å; W83-N520 WeakPolarHBondContact CH2-ND2 3.31Å; W83-N520 HydrophobicContact CZ2-CB 4.04Å; W83-N520 WeakPolarHBondContact CZ2-ND2 3.37Å; W83-N520 WeakPolarHBondContact CZ3-ND2 3.19Å; W83-N520 PolarHBondContact NE1-ND2 3.29Å; T189-N520 PolarHBondContact OG1-OD1 2.97Å; M190-N520 WeakPolarHBondContact CB-ND2 3.16Å; M190-N520 PolarHBondContact N-ND2 3.22Å; M190-N520 PolarHBondContact N-OD1 3.45Å; M190-N520 PolarHBondContact O-N 3.22Å; M190-N520 PolarHBondContact O-OD1 2.9Å; G207-N520 WeakPolarHBondContact O-CB 3.36Å; F208-N520 HydrophobicContact CD1-CB 3.94Å; F208-N520 HydrophobicContact CE1-CB 4.04Å; N520-P522 WeakPolarHBondContact O-CD 3.4Å
521T67.7Low62.3Low75 Ų7578.6 Ų78.646%0.4639%0.392SS..  trans-73.4122.1166.7-56.20000108.8W83W83-T521 VanDerWaalsContact CZ2-O 3.3Å; W83-T521 WeakPolarHBondContact CZ2-O 3.43Å
522P75.1Confident64.1Low34 Ų3476.5 Ų76.522%0.22137%0.368CS..  trans-58.3153.3177.7-24.734.8000113.2Y104 Y118 M187 I188 N520Y104-P522 HydrophobicContact CE1-CB 4.47Å; Y104-P522 WeakPolarHBondContact OH-CB 3.42Å; Y104-P522 WeakPolarHBondContact OH-CG 3.13Å; Y118-P522 HydrophobicContact CE1-CG 4.17Å; M187-P522 HydrophobicContact CE-CB 3.72Å; I188-P522 WeakPolarHBondContact O-CA 3.43Å; N520-P522 WeakPolarHBondContact O-CD 3.4Å
523I80.5Confident65.7Low24 Ų2469.3 Ų69.312%0.12334%0.339CS..EExtended strand (participates in β ladder)trans-118.3136.1178.2-51.9158.2000108.8A76 K79 I80 W83 M187 I188A76-I523 HydrophobicContact CB-CG2 3.72Å; K79-I523 HydrophobicContact CB-CD1 3.52Å; K79-I523 HydrophobicContact CB-CG1 4.3Å; K79-I523 HydrophobicContact CG-CD1 3.42Å; K79-I523 VanDerWaalsContact CG-CD1 3.42Å; K79-I523 HydrophobicContact CG-CG1 3.85Å; I80-I523 HydrophobicContact CD1-CD1 3.74Å; I80-I523 HydrophobicContact CG1-CD1 4.48Å; W83-I523 HydrophobicContact CH2-CD1 3.25Å; W83-I523 HydrophobicContact CH2-CG1 3.64Å; W83-I523 HydrophobicContact CZ2-CD1 3.27Å; W83-I523 HydrophobicContact CZ2-CG1 3.54Å; W83-I523 HydrophobicContact CZ3-CD1 4Å; M187-I523 CarbonylContact C-O 3.51Å; M187-I523 WeakPolarHBondContact CA-O 3.15Å; I188-I523 HydrophobicContact CG2-CB 3.85Å; I188-I523 HydrophobicContact CG2-CD1 4.25Å; I188-I523 PolarHBondContact N-O 2.94Å; I188-I523 PolarHBondContact O-N 3.21Å
524S79.1Confident67.4Low74 Ų7466.3 Ų66.352%0.51733%0.333SS..EExtended strand (participates in β ladder)trans-77.5132168.6-174.50000110.6M187M187-S524 WeakPolarHBondContact SD-CA 3.47Å
525V78.7Confident68.7Low10 Ų1054.9 Ų54.96%0.06130%0.296CS..EExtended strand (participates in β ladder)trans-126.5119.8176.9-174.20000108.6I49 F50 L186 I188I49-V525 HydrophobicContact CG2-CG1 3.91Å; I49-V525 HydrophobicContact CG2-CG2 4.35Å; I49-V525 WeakPolarHBondContact O-CG1 3.36Å; F50-V525 HydrophobicContact CE1-CG1 4.31Å; F50-V525 HydrophobicContact CE1-CG2 4.34Å; L186-V525 PolarHBondContact N-O 3.34Å; L186-V525 VanDerWaalsContact N-O 3.13Å; L186-V525 PolarHBondContact O-N 3.31Å; I188-V525 HydrophobicContact CB-CG2 4.44Å; I188-V525 HydrophobicContact CG2-CG2 3.67Å
526S71.7Confident69.8Low88 Ų8849.8 Ų49.862%0.61528%0.278SS*.EExtended strand (participates in β ladder)trans-100.5114.5172.3-54.90000108.1
527R73.1Confident71Confident39 Ų3951.8 Ų51.815%0.14729%0.291CS..  trans-79.7134.1176.7-62.7177.360.3-135.1-7.4108.7D48 L182 S184D48-R527 WeakPolarHBondContact O-CD 3.46Å; D48-R527 WeakPolarHBondContact O-CG 3.38Å; D48-R527 PolarHBondContact O-NE 3.18Å; D48-R527 IonicContact OD2-CZ 2.66Å; D48-R527 IonicContact OD2-NE 3.38Å; D48-R527 IonicContact OD2-NH2 2.73Å; D48-R527 PolarHBondContact OD2-NH2 3.1Å; L182-R527 VanDerWaalsContact C-NH1 3.33Å; L182-R527 PolarHBondContact O-NH1 3.19Å; S184-R527 PolarHBondContact O-N 2.86Å
528Q55.3Low71.8Confident241 Ų24154.8 Ų54.8100%1.12631%0.308SS*.  trans-810179.8-73.1-172.5-11.200112.4

Retrieved 528 of 528 residues in 386.7 ms (Link to these results)

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