A0A5K4F2D7_SCHMA Loading...

Major egg antigen

AlphaFold DB , UniProt , Accession A0A5K4F2D7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 364 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
1M37Very low45.7Very low243 Ų243160.2 Ų160.2100%1.19779%0.787SS**  0850-161.8174.3-170.900107
2M34.4Very low49.5Very low194 Ų194153.7 Ų153.796%0.95676%0.762SS**  trans-94.1116.6-178.7-79.3-168.8165.200109.1K4M2-K4 PolarHBondContact O-N 2.93Å
3L34.7Very low52.9Low163 Ų163149.2 Ų149.285%0.85374%0.743SS**  trans-65.5110.6175.4-76150.8000109N5L3-N5 PolarHBondContact O-N 3.23Å; L3-N5 VanDerWaalsContact O-N 3.14Å
4K34.9Very low56.1Low193 Ų193139.6 Ų139.684%0.83970%0.696SS**  trans-71.698.2164.6-74.9-178.3169.8-1780108M2 N6M2-K4 PolarHBondContact O-N 2.93Å; K4-N6 VanDerWaalsContact C-N 3.26Å; K4-N6 PolarHBondContact O-N 2.91Å
5N30.3Very low58.7Low131 Ų131136.6 Ų136.670%0.70169%0.69SS**  trans-71.185.4165-94-0.2000109.1L3 H7L3-N5 PolarHBondContact O-N 3.23Å; L3-N5 VanDerWaalsContact O-N 3.14Å; N5-H7 PolarHBondContact O-N 2.89Å; N5-H7 VanDerWaalsContact O-N 3.12Å
6N30.5Very low61.2Low145 Ų145130 Ų13078%0.77566%0.657SS**  trans-77.578.8160.8-87.82.3000108.3K4 Q8K4-N6 VanDerWaalsContact C-N 3.26Å; K4-N6 PolarHBondContact O-N 2.91Å; N6-Q8 VanDerWaalsContact C-N 3.35Å; N6-Q8 PolarHBondContact O-N 3.19Å; N6-Q8 VanDerWaalsContact O-N 3.14Å
7H40.5Very low63.2Low155 Ų155127.4 Ų127.472%0.71865%0.645SS**  trans-73.397157.7-77.3-23.7000107.3N5 Q9N5-H7 PolarHBondContact O-N 2.89Å; N5-H7 VanDerWaalsContact O-N 3.12Å; H7-Q9 VanDerWaalsContact C-N 3.28Å; H7-Q9 PolarHBondContact O-N 3.22Å
8Q43Very low65.1Low190 Ų190127.9 Ų127.989%0.88865%0.645SS**  trans-58.897.9160.6-81-178.6-31.900106.9N6 K10N6-Q8 VanDerWaalsContact C-N 3.35Å; N6-Q8 PolarHBondContact O-N 3.19Å; N6-Q8 VanDerWaalsContact O-N 3.14Å; Q8-K10 PolarHBondContact O-N 3.26Å; Q8-K10 VanDerWaalsContact O-N 3.16Å
9Q59.7Low66.7Low93 Ų93124.1 Ų124.144%0.43562%0.624SS.*  trans-59.4120173.1-84.7179.8-24.100108H7 S11 H167H7-Q9 VanDerWaalsContact C-N 3.28Å; H7-Q9 PolarHBondContact O-N 3.22Å; Q9-S11 PolarHBondContact O-N 2.88Å; Q9-S11 VanDerWaalsContact O-N 3.14Å; Q9-H167 PolarHBondContact NE2-CD2 3.31Å; Q9-H167 PolarHBondContact NE2-NE2 3.49Å
10K72.8Confident68.2Low186 Ų186123.1 Ų123.181%0.80963%0.627SS**  trans-67.6111.8-178-169.9177.4-178.4-177.30108.3Q8Q8-K10 PolarHBondContact O-N 3.26Å; Q8-K10 VanDerWaalsContact O-N 3.16Å
11S84.9Confident69.5Low69 Ų69120.4 Ų120.448%0.48361%0.611SS.*  trans-70.2144.9169.658.80000109.9Q9 S164Q9-S11 PolarHBondContact O-N 2.88Å; Q9-S11 VanDerWaalsContact O-N 3.14Å; S11-S164 CarbonylContact C-O 3.52Å; S11-S164 WeakPolarHBondContact CA-O 3.24Å
12V91.3Very high72.4Confident82 Ų82110.5 Ų110.550%0.49756%0.564SS.*EExtended strand (participates in β ladder)trans-120.1124.5177179.40000108S164V12-S164 PolarHBondContact N-O 2.94Å; V12-S164 PolarHBondContact O-N 3.23Å
13D94.2Very high75.4Confident95 Ų95101.5 Ų101.551%0.50852%0.52SS..EExtended strand (participates in β ladder)trans-74.3125.4172.3-65.812.8000108.4K161D13-K161 IonicContact OD1-NZ 3.23Å; D13-K161 PolarHBondContact OD1-NZ 3Å; D13-K161 WeakPolarHBondContact OD2-CE 3.49Å; D13-K161 IonicContact OD2-NZ 3.55Å; D13-K161 PolarHBondContact OD2-NZ 2.97Å
14I96.4Very high78.4Confident16 Ų1696.5 Ų96.58%0.08249%0.492CS..PPolyproline II helixtrans-98.7120.1-178.9-58.6171000109V162 L169 L203 C205I14-V162 HydrophobicContact CB-CB 4.2Å; I14-V162 HydrophobicContact CB-CG1 3.92Å; I14-V162 HydrophobicContact CD1-CG1 3.95Å; I14-V162 HydrophobicContact CG1-CG1 4.34Å; I14-V162 PolarHBondContact N-O 3.2Å; I14-L169 HydrophobicContact CD1-CD1 4.15Å; I14-L203 HydrophobicContact CD1-CB 3.62Å; I14-L203 HydrophobicContact CD1-CD1 3.97Å; I14-L203 HydrophobicContact CD1-CG 4.4Å; I14-C205 HydrophobicContact CG2-CB 3.68Å
15P96.4Very high81.4Confident94 Ų9491.4 Ų91.461%0.6147%0.471SS*.PPolyproline II helixtrans-66.9140.1178.127.9-34.2000111.4
16I97.8Very high84.6Confident31 Ų3186.2 Ų86.216%0.15944%0.443CS..EExtended strand (participates in β ladder)trans-96.2117.3179.2-54.4176.1000108.9P157 I160 V162 L207 L213I16-P157 HydrophobicContact CB-CB 4.32Å; I16-P157 HydrophobicContact CG2-CB 4.14Å; I16-I160 HydrophobicContact CD1-CB 3.56Å; I16-I160 HydrophobicContact CD1-CG2 3.58Å; I16-I160 WeakPolarHBondContact CD1-O 3.34Å; I16-V162 HydrophobicContact CD1-CG2 4.02Å; I16-V162 HydrophobicContact CG1-CG2 4.12Å; I16-L207 HydrophobicContact CG2-CB 3.73Å; I16-L213 HydrophobicContact CD1-CD1 4.3Å; I16-L213 HydrophobicContact CG2-CD1 3.86Å
17N96.4Very high87.8Confident85 Ų8579.7 Ų79.746%0.45541%0.407SS..EExtended strand (participates in β ladder)trans-91.3118.4174.5-59-58.2000109.9C205 R206 L207N17-C205 PolarHBondContact N-O 3.24Å; N17-C205 PolarHBondContact ND2-O 3.23Å; N17-R206 HydrophobicContact CB-CG 4.43Å; N17-R206 CarbonylContact O-C 3.59Å; N17-R206 WeakPolarHBondContact O-CA 3.33Å; N17-L207 PolarHBondContact O-N 2.84Å
18Q96.3Very high90.5Very high138 Ų13877.4 Ų77.465%0.64539%0.392SS*.EExtended strand (participates in β ladder)trans-77.9130.5176-167.7174.511.400110.8P157Q18-P157 HydrophobicContact CB-CG 3.95Å; Q18-P157 HydrophobicContact CG-CG 4.2Å
19E95.3Very high93Very high54 Ų5472.8 Ų72.825%0.25237%0.371SS..  trans-113.2131.4-178.7-66.6-71.9178.300110.2K21 R206 L207 E209E19-K21 PolarHBondContact O-N 2.86Å; E19-R206 HydrophobicContact CG-CB 4.08Å; E19-R206 HydrophobicContact CG-CG 4.3Å; E19-R206 WeakPolarHBondContact OE1-CD 3.48Å; E19-R206 IonicContact OE1-NE 3.03Å; E19-L207 PolarHBondContact N-O 3.41Å; E19-E209 PolarHBondContact O-N 2.97Å
20P96.6Very high94.7Very high104 Ų10468.6 Ų68.668%0.67535%0.351SS*.SBendtrans-80.632.1-179.936.9-38.3000112.1
21K96.8Very high95.9Very high67 Ų6759.7 Ų59.729%0.29131%0.313SS..SBendtrans-133.7144.3-175.8-59.8-177.3-166.5-173.30109E19 Q25 E29 T208 E209E19-K21 PolarHBondContact O-N 2.86Å; K21-Q25 HydrophobicContact CB-CB 4.19Å; K21-E29 WeakPolarHBondContact CD-OE2 3.23Å; K21-E29 WeakPolarHBondContact CE-OE1 3.45Å; K21-E29 IonicContact NZ-OE1 2.72Å; K21-E29 PolarHBondContact NZ-OE1 2.88Å; K21-E29 IonicContact NZ-OE2 2.81Å; K21-E29 PolarHBondContact NZ-OE2 2.78Å; K21-T208 WeakPolarHBondContact O-CA 3.4Å; K21-T208 WeakPolarHBondContact O-CB 3.26Å; K21-E209 PolarHBondContact O-N 3.12Å
22T97.9Very high96.4Very high36 Ų3658.9 Ų58.922%0.22131%0.305CS..  trans-68158.2169.262.70000111.1E24 Q25 H26 D210T22-E24 PolarHBondContact O-N 3.23Å; T22-Q25 PolarHBondContact O-N 2.99Å; T22-Q25 VanDerWaalsContact O-N 3.13Å; T22-Q25 WeakPolarHBondContact OG1-CB 3.39Å; T22-Q25 VanDerWaalsContact OG1-CD 3.31Å; T22-Q25 VanDerWaalsContact OG1-CG 3.26Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.35Å; T22-Q25 PolarHBondContact OG1-N 2.94Å; T22-Q25 PolarHBondContact OG1-OE1 2.85Å; T22-H26 PolarHBondContact O-N 3.18Å; T22-D210 VanDerWaalsContact CA-OD1 3.22Å; T22-D210 WeakPolarHBondContact CA-OD1 3.38Å; T22-D210 HydrophobicContact CG2-CB 4.18Å
23F97.7Very high96.6Very high4 Ų456 Ų562%0.01829%0.292CS..Hα-helixtrans-53.1-41.2173.3179.5-117.7000112.7H26 R27 M74 L77 M81 H149 T208 D210 V212 M214F23-H26 PolarHBondContact O-N 2.89Å; F23-R27 PolarHBondContact O-N 3.44Å; F23-M74 HydrophobicContact CD1-CE 3.61Å; F23-M74 HydrophobicContact CE1-CE 3.78Å; F23-L77 HydrophobicContact CE1-CB 3.93Å; F23-L77 HydrophobicContact CE1-CD1 4.31Å; F23-L77 HydrophobicContact CZ-CB 4.06Å; F23-L77 HydrophobicContact CZ-CD1 4.09Å; F23-M81 HydrophobicContact CD1-CE 3.55Å; F23-M81 HydrophobicContact CD2-CE 4.48Å; F23-M81 HydrophobicContact CE1-CE 3.47Å; F23-M81 VanDerWaalsContact CE1-CE 3.47Å; F23-M81 HydrophobicContact CE2-CE 4.42Å; F23-M81 HydrophobicContact CG-CE 4.08Å; F23-M81 HydrophobicContact CZ-CE 3.94Å; F23-H149 AromaticContact CE2-CD2 3.6Å; F23-H149 AromaticContact CE2-NE2 3.6Å; F23-H149 AromaticContact CZ-NE2 3.93Å; F23-T208 HydrophobicContact CB-CG2 4.37Å; F23-D210 PolarHBondContact N-OD1 2.8Å; F23-V212 HydrophobicContact CB-CB 4.02Å; F23-V212 HydrophobicContact CB-CG1 4.45Å; F23-V212 HydrophobicContact CB-CG2 3.71Å; F23-V212 HydrophobicContact CD2-CB 4.31Å; F23-V212 HydrophobicContact CD2-CG1 3.88Å; F23-V212 HydrophobicContact CE2-CG1 4.35Å; F23-V212 HydrophobicContact CG-CB 4.25Å; F23-V212 HydrophobicContact CG-CG1 4.15Å; F23-V212 HydrophobicContact CG-CG2 4.07Å; F23-M214 HydrophobicContact CD2-CG 4.2Å; F23-M214 HydrophobicContact CD2-SD 3.62Å; F23-M214 HydrophobicContact CE2-CG 4.41Å; F23-M214 HydrophobicContact CE2-SD 3.95Å
24E97.7Very high96.6Very high58 Ų5851.5 Ų51.527%0.27127%0.268SS..Hα-helixtrans-65.4-43178.1-170.1-179.8145.200112.2T22 R27 R28 W70 M74T22-E24 PolarHBondContact O-N 3.23Å; E24-R27 PolarHBondContact O-N 2.96Å; E24-R28 WeakPolarHBondContact O-CG 3.3Å; E24-R28 PolarHBondContact O-N 2.88Å; E24-R28 IonicContact OE1-CZ 3.41Å; E24-R28 IonicContact OE1-NE 3.63Å; E24-R28 IonicContact OE1-NH1 2.7Å; E24-R28 PolarHBondContact OE1-NH1 2.92Å; E24-R28 IonicContact OE1-NH2 3.32Å; E24-R28 PolarHBondContact OE1-NH2 3.48Å; E24-W70 HydrophobicContact CG-CH2 4.43Å; E24-W70 HydrophobicContact CG-CZ2 3.55Å; E24-M74 HydrophobicContact CB-CE 3.88Å; E24-M74 HydrophobicContact CG-CE 4.04Å; E24-M74 HydrophobicContact CG-SD 4.43Å
25Q97.8Very high96.4Very high86 Ų8652.4 Ų52.440%0.40227%0.271SS..Hα-helixtrans-63.2-45175.8-76164.6-31.900111.5K21 T22 R27 R28 E29K21-Q25 HydrophobicContact CB-CB 4.19Å; T22-Q25 PolarHBondContact O-N 2.99Å; T22-Q25 VanDerWaalsContact O-N 3.13Å; T22-Q25 WeakPolarHBondContact OG1-CB 3.39Å; T22-Q25 VanDerWaalsContact OG1-CD 3.31Å; T22-Q25 VanDerWaalsContact OG1-CG 3.26Å; T22-Q25 WeakPolarHBondContact OG1-CG 3.35Å; T22-Q25 PolarHBondContact OG1-N 2.94Å; T22-Q25 PolarHBondContact OG1-OE1 2.85Å; Q25-R27 VanDerWaalsContact C-N 3.3Å; Q25-R27 PolarHBondContact O-N 2.85Å; Q25-R28 PolarHBondContact O-N 2.88Å; Q25-E29 WeakPolarHBondContact O-CG 3.29Å; Q25-E29 PolarHBondContact O-N 2.82Å
26H96.8Very high96Very high22 Ų2254.7 Ų54.710%0.10227%0.274CS..Hα-helixtrans-58.4-43.5176.5-173.364.3000111.3T22 F23 E29 M30 E140 M214T22-H26 PolarHBondContact O-N 3.18Å; F23-H26 PolarHBondContact O-N 2.89Å; H26-E29 PolarHBondContact O-N 2.93Å; H26-M30 PolarHBondContact O-N 3.43Å; H26-E140 IonicContact CE1-OE1 2.9Å; H26-E140 PolarHBondContact CE1-OE1 2.76Å; H26-M214 VanDerWaalsContact CD2-CE 3.41Å; H26-M214 WeakPolarHBondContact CD2-CE 3.38Å; H26-M214 VanDerWaalsContact CD2-SD 3.56Å
27R96.8Very high95.3Very high9 Ų959.5 Ų59.53%0.03429%0.29CS..Hα-helixtrans-60.5-47.1176-170.969.5176.8-175.9-2.7112.4F23 E24 Q25 E29 M30 L31 W70 E73 M74 E137F23-R27 PolarHBondContact O-N 3.44Å; E24-R27 PolarHBondContact O-N 2.96Å; Q25-R27 VanDerWaalsContact C-N 3.3Å; Q25-R27 PolarHBondContact O-N 2.85Å; R27-E29 PolarHBondContact O-N 2.92Å; R27-M30 PolarHBondContact O-N 2.85Å; R27-L31 WeakPolarHBondContact O-CG 3.19Å; R27-L31 PolarHBondContact O-N 2.79Å; R27-L31 VanDerWaalsContact O-N 3.08Å; R27-W70 HydrophobicContact CB-CH2 3.94Å; R27-W70 HydrophobicContact CB-CZ3 4.46Å; R27-W70 HydrophobicContact CG-CH2 3.77Å; R27-W70 HydrophobicContact CG-CZ3 3.8Å; R27-E73 IonicContact CZ-OE1 3.35Å; R27-E73 IonicContact NE-OE1 3.6Å; R27-E73 PolarHBondContact NE-OE1 2.95Å; R27-E73 IonicContact NH2-OE1 2.6Å; R27-E73 PolarHBondContact NH2-OE1 2.9Å; R27-M74 HydrophobicContact CB-SD 4.26Å; R27-M74 HydrophobicContact CG-SD 4.08Å; R27-E137 IonicContact CZ-OE1 2.72Å; R27-E137 IonicContact CZ-OE2 3.49Å; R27-E137 VanDerWaalsContact CZ-OE2 3.28Å; R27-E137 IonicContact NH1-OE1 3.6Å; R27-E137 PolarHBondContact NH1-OE1 2.89Å; R27-E137 IonicContact NH1-OE2 3.59Å; R27-E137 PolarHBondContact NH1-OE2 2.87Å; R27-E137 IonicContact NH2-OE2 2.81Å; R27-E137 PolarHBondContact NH2-OE2 3.43Å
28R97.3Very high94.1Very high107 Ų10757 Ų5740%0.40428%0.275SS..Hα-helixtrans-60.1-44.9178.4-74.7-170.1173.2137.27.3112E24 Q25 L31 T32 W67 W70E24-R28 WeakPolarHBondContact O-CG 3.3Å; E24-R28 PolarHBondContact O-N 2.88Å; E24-R28 IonicContact OE1-CZ 3.41Å; E24-R28 IonicContact OE1-NE 3.63Å; E24-R28 IonicContact OE1-NH1 2.7Å; E24-R28 PolarHBondContact OE1-NH1 2.92Å; E24-R28 IonicContact OE1-NH2 3.32Å; E24-R28 PolarHBondContact OE1-NH2 3.48Å; Q25-R28 PolarHBondContact O-N 2.88Å; R28-L31 PolarHBondContact O-N 2.62Å; R28-T32 VanDerWaalsContact O-CB 3.27Å; R28-T32 WeakPolarHBondContact O-CB 3.45Å; R28-T32 PolarHBondContact O-N 3.27Å; R28-T32 PolarHBondContact O-OG1 2.92Å; R28-W67 HydrophobicContact CB-CH2 4.09Å; R28-W67 HydrophobicContact CG-CH2 3.92Å; R28-W67 HydrophobicContact CG-CZ3 4.22Å; R28-W70 HydrophobicContact CB-CH2 4.26Å; R28-W70 HydrophobicContact CG-CH2 3.25Å; R28-W70 HydrophobicContact CG-CZ2 3.46Å; R28-W70 VanDerWaalsContact CG-CZ2 3.46Å; R28-W70 HydrophobicContact CG-CZ3 4.13Å
29E96.5Very high92.4Very high92 Ų9256.5 Ų56.543%0.4327%0.271SS..Hα-helixtrans-63.6-43.2179.8-73.6-178.6171.900112K21 Q25 H26 R27 T32 G33K21-E29 WeakPolarHBondContact CD-OE2 3.23Å; K21-E29 WeakPolarHBondContact CE-OE1 3.45Å; K21-E29 IonicContact NZ-OE1 2.72Å; K21-E29 PolarHBondContact NZ-OE1 2.88Å; K21-E29 IonicContact NZ-OE2 2.81Å; K21-E29 PolarHBondContact NZ-OE2 2.78Å; Q25-E29 WeakPolarHBondContact O-CG 3.29Å; Q25-E29 PolarHBondContact O-N 2.82Å; H26-E29 PolarHBondContact O-N 2.93Å; R27-E29 PolarHBondContact O-N 2.92Å; E29-T32 PolarHBondContact O-N 2.82Å; E29-G33 PolarHBondContact O-N 2.95Å
30M96Very high90.4Very high5 Ų557.1 Ų57.13%0.02529%0.292CS..Hα-helixtrans-59.4-51.7176-179.8-165.874.100111.4H26 R27 T32 G33 L34 W62 E140 K147H26-M30 PolarHBondContact O-N 3.43Å; R27-M30 PolarHBondContact O-N 2.85Å; M30-T32 VanDerWaalsContact C-N 3.32Å; M30-T32 PolarHBondContact O-N 2.84Å; M30-G33 PolarHBondContact O-N 3.11Å; M30-L34 HydrophobicContact CG-CD1 4.26Å; M30-L34 WeakPolarHBondContact O-CG 3.27Å; M30-L34 PolarHBondContact O-N 3.38Å; M30-W62 HydrophobicContact CE-CH2 3.61Å; M30-W62 HydrophobicContact CE-CZ3 4.27Å; M30-E140 HydrophobicContact CB-CG 4.17Å; M30-E140 HydrophobicContact CG-CG 3.72Å; M30-K147 PolarHBondContact SD-NZ 3.26Å
31L96.3Very high88.5Confident0 Ų062 Ų620%030%0.297CS..Hα-helixtrans-60.9-42.5178.5-68.9-177.4000111.5R27 R28 G33 L34 Q35 W62 V63 W67 W70R27-L31 WeakPolarHBondContact O-CG 3.19Å; R27-L31 PolarHBondContact O-N 2.79Å; R27-L31 VanDerWaalsContact O-N 3.08Å; R28-L31 PolarHBondContact O-N 2.62Å; L31-G33 PolarHBondContact O-N 3.3Å; L31-L34 PolarHBondContact O-N 3.06Å; L31-Q35 WeakPolarHBondContact O-CG 3.47Å; L31-Q35 PolarHBondContact O-N 3.38Å; L31-W62 HydrophobicContact CD2-CE3 4.32Å; L31-W62 HydrophobicContact CD2-CH2 3.88Å; L31-W62 HydrophobicContact CD2-CZ3 3.58Å; L31-V63 HydrophobicContact CD2-CG2 4.37Å; L31-W67 HydrophobicContact CB-CH2 4.47Å; L31-W67 HydrophobicContact CB-CZ2 3.57Å; L31-W67 HydrophobicContact CD1-CD2 4.17Å; L31-W67 HydrophobicContact CD1-CZ2 4.11Å; L31-W70 HydrophobicContact CD1-CE3 4.21Å; L31-W70 HydrophobicContact CD1-CZ3 3.7Å
32T95.9Very high86.1Confident52 Ų5268.5 Ų68.532%0.31933%0.325SS..Hα-helixtrans-60.7-46.6176.2-57.80000110.6R28 E29 M30 L34 Q35 H36R28-T32 VanDerWaalsContact O-CB 3.27Å; R28-T32 WeakPolarHBondContact O-CB 3.45Å; R28-T32 PolarHBondContact O-N 3.27Å; R28-T32 PolarHBondContact O-OG1 2.92Å; E29-T32 PolarHBondContact O-N 2.82Å; M30-T32 VanDerWaalsContact C-N 3.32Å; M30-T32 PolarHBondContact O-N 2.84Å; T32-L34 VanDerWaalsContact C-N 3.31Å; T32-L34 PolarHBondContact O-N 2.87Å; T32-Q35 PolarHBondContact O-N 2.91Å; T32-H36 VanDerWaalsContact CG2-CE1 3.41Å; T32-H36 WeakPolarHBondContact CG2-CE1 3.43Å; T32-H36 PolarHBondContact O-N 2.89Å; T32-H36 VanDerWaalsContact O-N 3.07Å; T32-H36 PolarHBondContact O-ND1 2.91Å
33G95.5Very high83.8Confident22 Ų2271.5 Ų71.523%0.22733%0.333CS..Hα-helixtrans-62.4-35.4178.400000113.5E29 M30 L31 R37E29-G33 PolarHBondContact O-N 2.95Å; M30-G33 PolarHBondContact O-N 3.11Å; L31-G33 PolarHBondContact O-N 3.3Å; G33-R37 WeakPolarHBondContact O-CG 3.41Å; G33-R37 PolarHBondContact O-N 3.44Å; G33-R37 PolarHBondContact O-NE 3.5Å
34L94.3Very high81Confident0 Ų076.4 Ų76.40%037%0.365CS..Hα-helixtrans-70.1-43.2174-74.3169.3000111.8M30 L31 T32 H36 R37 H38 I59 W62 V63 V138M30-L34 HydrophobicContact CG-CD1 4.26Å; M30-L34 WeakPolarHBondContact O-CG 3.27Å; M30-L34 PolarHBondContact O-N 3.38Å; L31-L34 PolarHBondContact O-N 3.06Å; T32-L34 VanDerWaalsContact C-N 3.31Å; T32-L34 PolarHBondContact O-N 2.87Å; L34-H36 VanDerWaalsContact C-N 3.29Å; L34-H36 PolarHBondContact O-N 2.83Å; L34-R37 PolarHBondContact O-N 3.21Å; L34-R37 VanDerWaalsContact O-N 3.15Å; L34-H38 PolarHBondContact O-CD2 2.89Å; L34-H38 PolarHBondContact O-N 3.32Å; L34-H38 VanDerWaalsContact O-N 3.09Å; L34-I59 HydrophobicContact CD2-CG2 4.43Å; L34-W62 HydrophobicContact CD1-CZ3 3.72Å; L34-V63 HydrophobicContact CB-CG2 3.84Å; L34-V63 HydrophobicContact CD1-CG2 4.22Å; L34-V138 HydrophobicContact CD1-CB 4.38Å; L34-V138 HydrophobicContact CD1-CG1 3.94Å; L34-V138 HydrophobicContact CD2-CG1 4.08Å
35Q91.6Very high78.1Confident34 Ų3483.5 Ų83.516%0.15940%0.395CS..Hα-helixtrans-55.8-44.5174.3-72.9-174.6-3800111.9L31 T32 R37 K39 V63 W67L31-Q35 WeakPolarHBondContact O-CG 3.47Å; L31-Q35 PolarHBondContact O-N 3.38Å; T32-Q35 PolarHBondContact O-N 2.91Å; Q35-R37 VanDerWaalsContact C-N 3.34Å; Q35-R37 PolarHBondContact O-N 3.1Å; Q35-K39 HydrophobicContact CB-CD 4.29Å; Q35-K39 WeakPolarHBondContact O-CB 3.2Å; Q35-K39 VanDerWaalsContact O-CG 3.27Å; Q35-K39 WeakPolarHBondContact O-CG 3.36Å; Q35-K39 PolarHBondContact O-N 3.39Å; Q35-V63 HydrophobicContact CG-CG1 3.2Å; Q35-W67 VanDerWaalsContact NE2-NE1 3.11Å
36H88.6Confident75.4Confident142 Ų14285.9 Ų85.966%0.65741%0.41SS*.Hα-helixtrans-69.3-30.7-179.3-71.686.4000113.1T32 L34T32-H36 VanDerWaalsContact CG2-CE1 3.41Å; T32-H36 WeakPolarHBondContact CG2-CE1 3.43Å; T32-H36 PolarHBondContact O-N 2.89Å; T32-H36 VanDerWaalsContact O-N 3.07Å; T32-H36 PolarHBondContact O-ND1 2.91Å; L34-H36 VanDerWaalsContact C-N 3.29Å; L34-H36 PolarHBondContact O-N 2.83Å
37R83.1Confident72.5Confident133 Ų13389.2 Ų89.250%0.50244%0.441SS..Hα-helixtrans-74.6-34.5178.3-81.5-177.3-109-149.3-4.9113.1G33 L34 Q35 E140G33-R37 WeakPolarHBondContact O-CG 3.41Å; G33-R37 PolarHBondContact O-N 3.44Å; G33-R37 PolarHBondContact O-NE 3.5Å; L34-R37 PolarHBondContact O-N 3.21Å; L34-R37 VanDerWaalsContact O-N 3.15Å; Q35-R37 VanDerWaalsContact C-N 3.34Å; Q35-R37 PolarHBondContact O-N 3.1Å; R37-E140 PolarHBondContact NE-O 3.43Å; R37-E140 PolarHBondContact NH1-O 3.45Å; R37-E140 PolarHBondContact NH2-O 3.13Å
38H71.3Confident69.8Low31 Ų3196.3 Ų96.314%0.14448%0.48CS..Hα-helixtrans-104.7-28.5-171.5-70.4-92.7000114L34 G40 I59 D60L34-H38 PolarHBondContact O-CD2 2.89Å; L34-H38 PolarHBondContact O-N 3.32Å; L34-H38 VanDerWaalsContact O-N 3.09Å; H38-G40 PolarHBondContact O-N 3.22Å; H38-I59 VanDerWaalsContact CE1-CD1 3.44Å; H38-I59 WeakPolarHBondContact CE1-CD1 3.45Å; H38-D60 WeakPolarHBondContact CB-OD1 3.46Å
39K61.6Low66.8Low128 Ų12896.1 Ų96.156%0.55749%0.491SS*.THydrogen-bonded Turntrans-67.997173.2-71.8-176.8175.6175.70111.2Q35Q35-K39 HydrophobicContact CB-CD 4.29Å; Q35-K39 WeakPolarHBondContact O-CB 3.2Å; Q35-K39 VanDerWaalsContact O-CG 3.27Å; Q35-K39 WeakPolarHBondContact O-CG 3.36Å; Q35-K39 PolarHBondContact O-N 3.39Å
40G52.9Low64.3Low68 Ų6896.1 Ų96.170%0.70150%0.499SS*.THydrogen-bonded Turntrans150.8-13.217200000115.8H38 K42H38-G40 PolarHBondContact O-N 3.22Å; G40-K42 VanDerWaalsContact C-N 3.29Å; G40-K42 PolarHBondContact O-N 2.83Å
41R55.4Low62Low207 Ų207101 Ų10178%0.78152%0.521SS*.  trans-76.879.6174-70.6-171.7178.6-163.30.3110.5R43R41-R43 PolarHBondContact O-N 3.23Å; R41-R43 VanDerWaalsContact O-N 3.12Å
42K47.5Very low60.2Low203 Ų203105.2 Ų105.288%0.88355%0.547SS*.  trans-59115169.3-72-170177.8-179.90109.1G40G40-K42 VanDerWaalsContact C-N 3.29Å; G40-K42 PolarHBondContact O-N 2.83Å
43R49.1Very low58.9Low98 Ų98106.2 Ų106.237%0.3755%0.55SS.*  trans-52.9135.3169.8-78.7-176.2178.6-156.14.8109.5R41 K45 H51 T52 D57R41-R43 PolarHBondContact O-N 3.23Å; R41-R43 VanDerWaalsContact O-N 3.12Å; R43-K45 PolarHBondContact O-N 3.01Å; R43-H51 VanDerWaalsContact CZ-CE1 3.49Å; R43-H51 PolarHBondContact NH1-CE1 2.86Å; R43-H51 PolarHBondContact NH1-ND1 3.43Å; R43-H51 VanDerWaalsContact NH1-ND1 3.11Å; R43-T52 PolarHBondContact NH2-O 3.12Å; R43-D57 IonicContact CZ-OD2 2.8Å; R43-D57 IonicContact NE-OD1 2.83Å; R43-D57 IonicContact NE-OD2 3.86Å; R43-D57 IonicContact NH2-OD1 3.77Å; R43-D57 IonicContact NH2-OD2 3.23Å; R43-D57 PolarHBondContact NH2-OD2 3.46Å
44P39.2Very low58.4Low108 Ų108108.1 Ų108.170%0.70156%0.558SS**  trans-57.4124.3156.5-12.325.6000107.3L46P44-L46 PolarHBondContact O-N 3.32Å
45K37Very low58.3Low206 Ų206110.1 Ų110.190%0.89657%0.566SS**  trans-69.479.7173.9-71.9-177.4179.2176.70109.2R43 A47R43-K45 PolarHBondContact O-N 3.01Å; K45-A47 PolarHBondContact O-N 3.48Å
46L39.7Very low58.2Low136 Ų136110 Ų11071%0.71257%0.568SS**  trans-75.8109.6160.5-88.6138.1000107P44 N48P44-L46 PolarHBondContact O-N 3.32Å; L46-N48 PolarHBondContact O-N 3.14Å; L46-N48 VanDerWaalsContact O-N 3.12Å
47A37.3Very low58.3Low93 Ų93105 Ų10577%0.76955%0.546SS*.THydrogen-bonded Turntrans-69.6-9.3-161.600000115.5K45K45-A47 PolarHBondContact O-N 3.48Å
48N38.9Very low58.7Low158 Ų15899 Ų9985%0.84553%0.525SS*.THydrogen-bonded Turntrans-134.614-164-74.2-8.8000116.1L46L46-N48 PolarHBondContact O-N 3.14Å; L46-N48 VanDerWaalsContact O-N 3.12Å
49T35.3Very low59.8Low103 Ų10397.5 Ų97.563%0.63252%0.518SS*.SBendtrans-89138170.542.30000110.9H51T49-H51 PolarHBondContact O-N 2.89Å
50P43.4Very low61.2Low91 Ų9193.5 Ų93.559%0.59150%0.502SS*.  trans-48.8137.7165.1-20.530.4000109T52P50-T52 VanDerWaalsContact C-N 3.27Å; P50-T52 PolarHBondContact O-N 2.97Å
51H48.2Very low63.1Low107 Ų10794.6 Ų94.650%0.49549%0.492SS..  trans-76.186.4-177.8-164.874000108.3R43 T49 D53R43-H51 VanDerWaalsContact CZ-CE1 3.49Å; R43-H51 PolarHBondContact NH1-CE1 2.86Å; R43-H51 PolarHBondContact NH1-ND1 3.43Å; R43-H51 VanDerWaalsContact NH1-ND1 3.11Å; T49-H51 PolarHBondContact O-N 2.89Å; H51-D53 IonicContact CD2-OD1 2.72Å; H51-D53 PolarHBondContact CD2-OD1 2.82Å; H51-D53 IonicContact NE2-OD1 2.77Å
52T58.2Low64.9Low90 Ų9084.9 Ų84.955%0.55246%0.455SS*.PPolyproline II helixtrans-80.3126.8161.957.20000107.1R43 P50 T54R43-T52 PolarHBondContact NH2-O 3.12Å; P50-T52 VanDerWaalsContact C-N 3.27Å; P50-T52 PolarHBondContact O-N 2.97Å; T52-T54 PolarHBondContact O-N 3.09Å
53D68.1Low67.2Low72 Ų7275.2 Ų75.239%0.38541%0.414SS..PPolyproline II helixtrans-61.7128.8171.2-74.2-12.2000108.2H51 D57 V58H51-D53 IonicContact CD2-OD1 2.72Å; H51-D53 PolarHBondContact CD2-OD1 2.82Å; H51-D53 IonicContact NE2-OD1 2.77Å; D53-D57 HydrophobicContact CB-CB 4.21Å; D53-V58 HydrophobicContact CB-CG2 4.27Å
54T85.2Confident69.2Low63 Ų6373.1 Ų73.139%0.38741%0.41SS..PPolyproline II helixtrans-79.1158.8168.467.90000107.9T52 S56 D57 V58T52-T54 PolarHBondContact O-N 3.09Å; T54-S56 PolarHBondContact O-N 3.42Å; T54-S56 PolarHBondContact OG1-N 2.86Å; T54-D57 WeakPolarHBondContact CA-OD2 3.49Å; T54-D57 VanDerWaalsContact CB-OD2 3.32Å; T54-D57 WeakPolarHBondContact CB-OD2 3.26Å; T54-D57 PolarHBondContact N-OD2 2.83Å; T54-D57 WeakPolarHBondContact O-CA 3.45Å; T54-D57 WeakPolarHBondContact O-CB 3.23Å; T54-D57 PolarHBondContact O-N 2.83Å; T54-D57 PolarHBondContact OG1-N 3.35Å; T54-D57 PolarHBondContact OG1-OD2 2.67Å; T54-V58 PolarHBondContact O-N 2.81Å
55W91.6Very high71.8Confident42 Ų4269 Ų6916%0.15938%0.383CS..Hα-helixtrans-51.1-29.4171.7179.7-121.3000113.2V58 I59 V138 G142 L144 Y224 I227 F229W55-V58 HydrophobicContact CE3-CB 3.89Å; W55-V58 HydrophobicContact CE3-CG1 3.86Å; W55-V58 HydrophobicContact CE3-CG2 4.43Å; W55-V58 HydrophobicContact CZ3-CB 4.16Å; W55-V58 HydrophobicContact CZ3-CG1 3.6Å; W55-V58 PolarHBondContact O-N 2.8Å; W55-I59 HydrophobicContact CD2-CD1 4.44Å; W55-I59 HydrophobicContact CD2-CG1 4.36Å; W55-I59 HydrophobicContact CG-CD1 4.42Å; W55-I59 HydrophobicContact CZ2-CD1 4.34Å; W55-I59 HydrophobicContact CZ2-CG1 4.09Å; W55-I59 VanDerWaalsContact O-CG1 3.3Å; W55-I59 WeakPolarHBondContact O-CG1 3.46Å; W55-I59 PolarHBondContact O-N 3.46Å; W55-V138 HydrophobicContact CH2-CG2 4Å; W55-V138 HydrophobicContact CZ2-CG2 4.05Å; W55-G142 PolarHBondContact NE1-O 2.85Å; W55-L144 HydrophobicContact CH2-CD1 4.41Å; W55-Y224 AromaticContact CD2-CD1 3.38Å; W55-Y224 HydrophobicContact CD2-CD1 3.38Å; W55-Y224 AromaticContact CD2-CE1 3.89Å; W55-Y224 HydrophobicContact CD2-CE1 3.89Å; W55-Y224 HydrophobicContact CD2-CG 4.17Å; W55-Y224 AromaticContact CE2-CD1 3.44Å; W55-Y224 VanDerWaalsContact CE2-CD1 3.44Å; W55-Y224 AromaticContact CE2-CE1 3.39Å; W55-Y224 AromaticContact CE3-CD1 3.68Å; W55-Y224 HydrophobicContact CE3-CD1 3.68Å; W55-Y224 HydrophobicContact CE3-CE1 4.38Å; W55-Y224 AromaticContact CG-CD1 3.85Å; W55-Y224 HydrophobicContact CG-CD1 3.85Å; W55-Y224 HydrophobicContact CG-CE1 4.42Å; W55-Y224 HydrophobicContact CG-CG 4.2Å; W55-Y224 HydrophobicContact CH2-CD1 4.08Å; W55-Y224 HydrophobicContact CH2-CE1 4.06Å; W55-Y224 AromaticContact CZ2-CD1 3.82Å; W55-Y224 HydrophobicContact CZ2-CD1 3.82Å; W55-Y224 AromaticContact CZ2-CE1 3.51Å; W55-Y224 HydrophobicContact CZ2-CE1 3.51Å; W55-Y224 HydrophobicContact CZ3-CD1 4.01Å; W55-Y224 HydrophobicContact CZ3-CE1 4.46Å; W55-Y224 AromaticContact NE1-CD1 3.84Å; W55-Y224 AromaticContact NE1-CE1 3.64Å; W55-I227 HydrophobicContact CH2-CG2 4.37Å; W55-I227 HydrophobicContact CZ3-CB 4.4Å; W55-I227 HydrophobicContact CZ3-CG2 3.83Å; W55-F229 AromaticContact CH2-CE2 3.92Å; W55-F229 HydrophobicContact CH2-CE2 3.92Å; W55-F229 HydrophobicContact CZ3-CE2 4.2Å
56S90.7Very high74.5Confident31 Ų3159.1 Ų59.122%0.21734%0.34CS..Hα-helixtrans-67.3-39.1173.5-62.60000113.1T54 V58 I59 D60T54-S56 PolarHBondContact O-N 3.42Å; T54-S56 PolarHBondContact OG1-N 2.86Å; S56-V58 VanDerWaalsContact C-N 3.34Å; S56-I59 PolarHBondContact O-N 2.77Å; S56-D60 PolarHBondContact O-N 3.45Å
57D89.5Confident77.2Confident36 Ų3656.3 Ų56.319%0.19332%0.32CS..Hα-helixtrans-68.4-37.1175.6-51-72.9000110.5R43 D53 T54 I59 D60 N61R43-D57 IonicContact CZ-OD2 2.8Å; R43-D57 IonicContact NE-OD1 2.83Å; R43-D57 IonicContact NE-OD2 3.86Å; R43-D57 IonicContact NH2-OD1 3.77Å; R43-D57 IonicContact NH2-OD2 3.23Å; R43-D57 PolarHBondContact NH2-OD2 3.46Å; D53-D57 HydrophobicContact CB-CB 4.21Å; T54-D57 WeakPolarHBondContact CA-OD2 3.49Å; T54-D57 VanDerWaalsContact CB-OD2 3.32Å; T54-D57 WeakPolarHBondContact CB-OD2 3.26Å; T54-D57 PolarHBondContact N-OD2 2.83Å; T54-D57 WeakPolarHBondContact O-CA 3.45Å; T54-D57 WeakPolarHBondContact O-CB 3.23Å; T54-D57 PolarHBondContact O-N 2.83Å; T54-D57 PolarHBondContact OG1-N 3.35Å; T54-D57 PolarHBondContact OG1-OD2 2.67Å; D57-I59 PolarHBondContact O-N 2.79Å; D57-D60 PolarHBondContact O-N 3.11Å; D57-N61 WeakPolarHBondContact O-CB 3.28Å; D57-N61 VanDerWaalsContact O-CG 3.23Å; D57-N61 PolarHBondContact O-N 2.96Å; D57-N61 PolarHBondContact O-ND2 2.87Å
58V92.6Very high79.9Confident8 Ų861.7 Ų61.75%0.04832%0.321CS..Hα-helixtrans-60.2-44.8173.2177.70000111.2D53 T54 W55 S56 W62 F229D53-V58 HydrophobicContact CB-CG2 4.27Å; T54-V58 PolarHBondContact O-N 2.81Å; W55-V58 HydrophobicContact CE3-CB 3.89Å; W55-V58 HydrophobicContact CE3-CG1 3.86Å; W55-V58 HydrophobicContact CE3-CG2 4.43Å; W55-V58 HydrophobicContact CZ3-CB 4.16Å; W55-V58 HydrophobicContact CZ3-CG1 3.6Å; W55-V58 PolarHBondContact O-N 2.8Å; S56-V58 VanDerWaalsContact C-N 3.34Å; V58-W62 VanDerWaalsContact O-CB 3.29Å; V58-W62 WeakPolarHBondContact O-CB 3.48Å; V58-W62 PolarHBondContact O-N 3.37Å; V58-F229 HydrophobicContact CG1-CD2 3.84Å; V58-F229 HydrophobicContact CG1-CE2 4.32Å
59I94Very high82.5Confident0 Ų056.2 Ų56.20%030%0.295CS..Hα-helixtrans-61.9-49.4175.1-68167.5000110.7L34 H38 W55 S56 D57 N61 W62 V63 V138 G142L34-I59 HydrophobicContact CD2-CG2 4.43Å; H38-I59 VanDerWaalsContact CE1-CD1 3.44Å; H38-I59 WeakPolarHBondContact CE1-CD1 3.45Å; W55-I59 HydrophobicContact CD2-CD1 4.44Å; W55-I59 HydrophobicContact CD2-CG1 4.36Å; W55-I59 HydrophobicContact CG-CD1 4.42Å; W55-I59 HydrophobicContact CZ2-CD1 4.34Å; W55-I59 HydrophobicContact CZ2-CG1 4.09Å; W55-I59 VanDerWaalsContact O-CG1 3.3Å; W55-I59 WeakPolarHBondContact O-CG1 3.46Å; W55-I59 PolarHBondContact O-N 3.46Å; S56-I59 PolarHBondContact O-N 2.77Å; D57-I59 PolarHBondContact O-N 2.79Å; I59-N61 VanDerWaalsContact C-N 3.32Å; I59-N61 PolarHBondContact O-N 2.8Å; I59-W62 PolarHBondContact O-N 2.9Å; I59-V63 HydrophobicContact CG2-CG2 4.08Å; I59-V63 WeakPolarHBondContact O-CB 3.48Å; I59-V63 VanDerWaalsContact O-CG2 3.26Å; I59-V63 WeakPolarHBondContact O-CG2 3.37Å; I59-V63 PolarHBondContact O-N 3.13Å; I59-V138 HydrophobicContact CD1-CG1 4.33Å; I59-V138 HydrophobicContact CG1-CG1 4.03Å; I59-V138 HydrophobicContact CG1-CG2 4.21Å; I59-V138 HydrophobicContact CG2-CG1 4.46Å; I59-G142 WeakPolarHBondContact CD1-O 3.44Å
60D91.7Very high85.3Confident43 Ų4352.6 Ų52.623%0.2327%0.27CS..Hα-helixtrans-59.6-44.3-178.3-77.4-23.3000111.2H38 S56 D57 V63 D64H38-D60 WeakPolarHBondContact CB-OD1 3.46Å; S56-D60 PolarHBondContact O-N 3.45Å; D57-D60 PolarHBondContact O-N 3.11Å; D60-V63 PolarHBondContact O-N 3.47Å; D60-D64 WeakPolarHBondContact O-CB 3.16Å; D60-D64 PolarHBondContact O-N 3.26Å
61N91.6Very high87.8Confident91 Ų9154.3 Ų54.349%0.48727%0.274SS..Hα-helixtrans-63.6-43.4176.2-72.4-23.3000112.2D57 I59 D64 S65D57-N61 WeakPolarHBondContact O-CB 3.28Å; D57-N61 VanDerWaalsContact O-CG 3.23Å; D57-N61 PolarHBondContact O-N 2.96Å; D57-N61 PolarHBondContact O-ND2 2.87Å; I59-N61 VanDerWaalsContact C-N 3.32Å; I59-N61 PolarHBondContact O-N 2.8Å; N61-D64 PolarHBondContact O-N 2.71Å; N61-S65 WeakPolarHBondContact O-CB 3.34Å; N61-S65 PolarHBondContact O-N 2.8Å; N61-S65 PolarHBondContact O-OG 3.23Å
62W94.4Very high89.9Confident3 Ų354.4 Ų54.41%0.01128%0.278CS..Hα-helixtrans-64.8-41.2177.3176.785.4000112.2M30 L31 L34 V58 I59 S65 S66 E137 V138 F229M30-W62 HydrophobicContact CE-CH2 3.61Å; M30-W62 HydrophobicContact CE-CZ3 4.27Å; L31-W62 HydrophobicContact CD2-CE3 4.32Å; L31-W62 HydrophobicContact CD2-CH2 3.88Å; L31-W62 HydrophobicContact CD2-CZ3 3.58Å; L34-W62 HydrophobicContact CD1-CZ3 3.72Å; V58-W62 VanDerWaalsContact O-CB 3.29Å; V58-W62 WeakPolarHBondContact O-CB 3.48Å; V58-W62 PolarHBondContact O-N 3.37Å; I59-W62 PolarHBondContact O-N 2.9Å; W62-S65 PolarHBondContact O-OG 2.9Å; W62-S66 VanDerWaalsContact O-CB 3.32Å; W62-S66 WeakPolarHBondContact O-CB 3.41Å; W62-S66 PolarHBondContact O-N 3.49Å; W62-S66 PolarHBondContact O-OG 3.48Å; W62-E137 HydrophobicContact CZ2-CB 3.87Å; W62-V138 HydrophobicContact CD2-CB 4.41Å; W62-V138 HydrophobicContact CD2-CG2 4.09Å; W62-V138 HydrophobicContact CE3-CB 3.94Å; W62-V138 HydrophobicContact CE3-CG2 3.99Å; W62-V138 HydrophobicContact CG-CG2 4.48Å; W62-V138 HydrophobicContact CH2-CB 4.15Å; W62-V138 HydrophobicContact CZ3-CB 3.81Å; W62-V138 HydrophobicContact CZ3-CG2 4.37Å; W62-F229 HydrophobicContact CB-CD2 4.13Å; W62-F229 HydrophobicContact CB-CG 4.49Å; W62-F229 AromaticContact CD1-CD1 3.74Å; W62-F229 AromaticContact CD1-CD2 3.77Å; W62-F229 AromaticContact CD1-CG 3.49Å; W62-F229 VanDerWaalsContact CD1-CG 3.49Å; W62-F229 HydrophobicContact CG-CD2 4.09Å; W62-F229 HydrophobicContact CG-CE2 4.48Å; W62-F229 HydrophobicContact CG-CG 4.23Å
63V94.6Very high91.6Very high1 Ų150.1 Ų50.11%0.00625%0.252CS..Hα-helixtrans-66.7-45176.6169.70000111L31 L34 Q35 I59 D60 S66 W67L31-V63 HydrophobicContact CD2-CG2 4.37Å; L34-V63 HydrophobicContact CB-CG2 3.84Å; L34-V63 HydrophobicContact CD1-CG2 4.22Å; Q35-V63 HydrophobicContact CG-CG1 3.2Å; I59-V63 HydrophobicContact CG2-CG2 4.08Å; I59-V63 WeakPolarHBondContact O-CB 3.48Å; I59-V63 VanDerWaalsContact O-CG2 3.26Å; I59-V63 WeakPolarHBondContact O-CG2 3.37Å; I59-V63 PolarHBondContact O-N 3.13Å; D60-V63 PolarHBondContact O-N 3.47Å; V63-S66 WeakPolarHBondContact O-CB 3.23Å; V63-S66 PolarHBondContact O-N 2.71Å; V63-W67 PolarHBondContact O-N 2.77Å; V63-W67 VanDerWaalsContact O-N 3.09Å
64D92.9Very high92.8Very high54 Ų5447.3 Ų47.329%0.28924%0.236SC..Hα-helixtrans-66.3-39.3178.7-82.7-1.7000111.8D60 N61 S66 W67 R68D60-D64 WeakPolarHBondContact O-CB 3.16Å; D60-D64 PolarHBondContact O-N 3.26Å; N61-D64 PolarHBondContact O-N 2.71Å; D64-S66 VanDerWaalsContact C-N 3.33Å; D64-W67 PolarHBondContact O-N 2.8Å; D64-R68 WeakPolarHBondContact O-CB 3.28Å; D64-R68 VanDerWaalsContact O-CG 3.24Å; D64-R68 WeakPolarHBondContact O-CG 3.36Å; D64-R68 PolarHBondContact O-N 3.27Å
65S92.7Very high93.1Very high20 Ų2050.6 Ų50.614%0.1424%0.243CC..Hα-helixtrans-66.5-35.2174.869.90000112.3N61 W62 R68 S69N61-S65 WeakPolarHBondContact O-CB 3.34Å; N61-S65 PolarHBondContact O-N 2.8Å; N61-S65 PolarHBondContact O-OG 3.23Å; W62-S65 PolarHBondContact O-OG 2.9Å; S65-R68 PolarHBondContact O-N 2.83Å; S65-S69 PolarHBondContact O-N 3.23Å
66S94.6Very high93.1Very high0 Ų050.6 Ų50.60%024%0.243CC..Hα-helixtrans-62.2-44174.2-60.10000112.2W62 V63 D64 S69 W70 E73 R233W62-S66 VanDerWaalsContact O-CB 3.32Å; W62-S66 WeakPolarHBondContact O-CB 3.41Å; W62-S66 PolarHBondContact O-N 3.49Å; W62-S66 PolarHBondContact O-OG 3.48Å; V63-S66 WeakPolarHBondContact O-CB 3.23Å; V63-S66 PolarHBondContact O-N 2.71Å; D64-S66 VanDerWaalsContact C-N 3.33Å; S66-S69 CarbonylContact O-C 3.46Å; S66-W70 WeakPolarHBondContact O-CA 3.46Å; S66-W70 PolarHBondContact O-N 3.49Å; S66-E73 WeakPolarHBondContact CA-OE2 3.32Å; S66-E73 WeakPolarHBondContact CB-OE2 3.44Å; S66-E73 PolarHBondContact OG-OE2 3.39Å; S66-R233 WeakPolarHBondContact OG-CD 3.33Å
67W94.8Very high93.2Very high76 Ų7649.5 Ų49.529%0.28823%0.234SC..Hα-helixtrans-69.3-38174.9-73.9116.5000113.7R28 L31 Q35 V63 D64 S69 W70R28-W67 HydrophobicContact CB-CH2 4.09Å; R28-W67 HydrophobicContact CG-CH2 3.92Å; R28-W67 HydrophobicContact CG-CZ3 4.22Å; L31-W67 HydrophobicContact CB-CH2 4.47Å; L31-W67 HydrophobicContact CB-CZ2 3.57Å; L31-W67 HydrophobicContact CD1-CD2 4.17Å; L31-W67 HydrophobicContact CD1-CZ2 4.11Å; Q35-W67 VanDerWaalsContact NE2-NE1 3.11Å; V63-W67 PolarHBondContact O-N 2.77Å; V63-W67 VanDerWaalsContact O-N 3.09Å; D64-W67 PolarHBondContact O-N 2.8Å; W67-S69 VanDerWaalsContact C-N 3.32Å; W67-S69 PolarHBondContact O-N 3.25Å; W67-W70 AromaticContact CE3-CE3 3.99Å; W67-W70 HydrophobicContact CE3-CE3 3.99Å; W67-W70 HydrophobicContact CE3-CZ3 4.42Å; W67-W70 HydrophobicContact CH2-CZ3 4.45Å; W67-W70 HydrophobicContact CZ3-CD2 4.4Å; W67-W70 AromaticContact CZ3-CE3 3.92Å; W67-W70 HydrophobicContact CZ3-CE3 3.92Å; W67-W70 HydrophobicContact CZ3-CZ3 4.01Å
68R94.6Very high93.3Very high206 Ų20652.4 Ų52.478%0.77724%0.242SC*.Hα-helixtrans-66-34180-74.6174.1-170.5-172.37.8112.8D64 S65D64-R68 WeakPolarHBondContact O-CB 3.28Å; D64-R68 VanDerWaalsContact O-CG 3.24Å; D64-R68 WeakPolarHBondContact O-CG 3.36Å; D64-R68 PolarHBondContact O-N 3.27Å; S65-R68 PolarHBondContact O-N 2.83Å
69S93.8Very high93.1Very high44 Ų4457.9 Ų57.931%0.30826%0.262SS..THydrogen-bonded Turntrans-117.639.5-177.3-610000112S65 S66 W67 D71 D72 E73S65-S69 PolarHBondContact O-N 3.23Å; S66-S69 CarbonylContact O-C 3.46Å; W67-S69 VanDerWaalsContact C-N 3.32Å; W67-S69 PolarHBondContact O-N 3.25Å; S69-D71 PolarHBondContact O-N 3.37Å; S69-D72 PolarHBondContact O-N 3.47Å; S69-E73 WeakPolarHBondContact O-CB 3.34Å; S69-E73 PolarHBondContact O-N 2.81Å
70W94.7Very high92.9Very high27 Ų2759.6 Ų59.610%0.10228%0.28CS..Hα-helixtrans-53.7-48.9-173.3177.4-99.4000113.6E24 R27 R28 L31 S66 W67 E73 M74E24-W70 HydrophobicContact CG-CH2 4.43Å; E24-W70 HydrophobicContact CG-CZ2 3.55Å; R27-W70 HydrophobicContact CB-CH2 3.94Å; R27-W70 HydrophobicContact CB-CZ3 4.46Å; R27-W70 HydrophobicContact CG-CH2 3.77Å; R27-W70 HydrophobicContact CG-CZ3 3.8Å; R28-W70 HydrophobicContact CB-CH2 4.26Å; R28-W70 HydrophobicContact CG-CH2 3.25Å; R28-W70 HydrophobicContact CG-CZ2 3.46Å; R28-W70 VanDerWaalsContact CG-CZ2 3.46Å; R28-W70 HydrophobicContact CG-CZ3 4.13Å; L31-W70 HydrophobicContact CD1-CE3 4.21Å; L31-W70 HydrophobicContact CD1-CZ3 3.7Å; S66-W70 WeakPolarHBondContact O-CA 3.46Å; S66-W70 PolarHBondContact O-N 3.49Å; W67-W70 AromaticContact CE3-CE3 3.99Å; W67-W70 HydrophobicContact CE3-CE3 3.99Å; W67-W70 HydrophobicContact CE3-CZ3 4.42Å; W67-W70 HydrophobicContact CH2-CZ3 4.45Å; W67-W70 HydrophobicContact CZ3-CD2 4.4Å; W67-W70 AromaticContact CZ3-CE3 3.92Å; W67-W70 HydrophobicContact CZ3-CE3 3.92Å; W67-W70 HydrophobicContact CZ3-CZ3 4.01Å; W70-E73 WeakPolarHBondContact O-CB 3.37Å; W70-E73 PolarHBondContact O-N 2.77Å; W70-M74 HydrophobicContact CD2-CG 4.12Å; W70-M74 HydrophobicContact CH2-CG 4.34Å; W70-M74 HydrophobicContact CH2-SD 4.03Å; W70-M74 HydrophobicContact CZ2-CG 3.85Å; W70-M74 HydrophobicContact CZ2-SD 3.98Å; W70-M74 WeakPolarHBondContact O-CG 3.49Å; W70-M74 PolarHBondContact O-N 3.03Å
71D95.3Very high93Very high127 Ų12758.1 Ų58.168%0.67927%0.272SS*.Hα-helixtrans-65.2-44.1-176.8-68.3-21.2000111.3S69 E73 M74 Y75S69-D71 PolarHBondContact O-N 3.37Å; D71-E73 VanDerWaalsContact C-N 3.31Å; D71-E73 PolarHBondContact O-N 2.72Å; D71-M74 PolarHBondContact O-N 2.46Å; D71-Y75 WeakPolarHBondContact O-CB 3.48Å; D71-Y75 PolarHBondContact O-N 3.19Å
72D93.2Very high93.1Very high109 Ų10954 Ų5458%0.58325%0.25SC*.Hα-helixtrans-64.2-37.3176.4-68.6-31.2000111.8S69 R76S69-D72 PolarHBondContact O-N 3.47Å; D72-R76 VanDerWaalsContact O-CB 3.22Å; D72-R76 WeakPolarHBondContact O-CB 3.47Å; D72-R76 PolarHBondContact O-N 3Å
73E92.2Very high93Very high0 Ų055 Ų550%026%0.259CS..Hα-helixtrans-64.3-54.3175.1-176.4176.1170.400111.9R27 S66 S69 W70 D71 Y75 R76 L77 R233R27-E73 IonicContact CZ-OE1 3.35Å; R27-E73 IonicContact NE-OE1 3.6Å; R27-E73 PolarHBondContact NE-OE1 2.95Å; R27-E73 IonicContact NH2-OE1 2.6Å; R27-E73 PolarHBondContact NH2-OE1 2.9Å; S66-E73 WeakPolarHBondContact CA-OE2 3.32Å; S66-E73 WeakPolarHBondContact CB-OE2 3.44Å; S66-E73 PolarHBondContact OG-OE2 3.39Å; S69-E73 WeakPolarHBondContact O-CB 3.34Å; S69-E73 PolarHBondContact O-N 2.81Å; W70-E73 WeakPolarHBondContact O-CB 3.37Å; W70-E73 PolarHBondContact O-N 2.77Å; D71-E73 VanDerWaalsContact C-N 3.31Å; D71-E73 PolarHBondContact O-N 2.72Å; E73-Y75 VanDerWaalsContact C-N 3.26Å; E73-Y75 PolarHBondContact O-N 2.87Å; E73-R76 PolarHBondContact O-N 3.34Å; E73-R76 VanDerWaalsContact O-N 3.17Å; E73-L77 HydrophobicContact CG-CD1 3.93Å; E73-L77 HydrophobicContact CG-CG 4.36Å; E73-L77 WeakPolarHBondContact O-CB 3.48Å; E73-L77 WeakPolarHBondContact O-CG 3.1Å; E73-L77 PolarHBondContact O-N 3.49Å; E73-R233 WeakPolarHBondContact OE2-CD 3.49Å; E73-R233 IonicContact OE2-NE 2.95Å
74M94.5Very high92.9Very high12 Ų1255.7 Ų55.76%0.05926%0.263CS..Hα-helixtrans-61.3-39.9-179.9-72.9-55.2-54.600111.1F23 E24 R27 W70 D71 R78F23-M74 HydrophobicContact CD1-CE 3.61Å; F23-M74 HydrophobicContact CE1-CE 3.78Å; E24-M74 HydrophobicContact CB-CE 3.88Å; E24-M74 HydrophobicContact CG-CE 4.04Å; E24-M74 HydrophobicContact CG-SD 4.43Å; R27-M74 HydrophobicContact CB-SD 4.26Å; R27-M74 HydrophobicContact CG-SD 4.08Å; W70-M74 HydrophobicContact CD2-CG 4.12Å; W70-M74 HydrophobicContact CH2-CG 4.34Å; W70-M74 HydrophobicContact CH2-SD 4.03Å; W70-M74 HydrophobicContact CZ2-CG 3.85Å; W70-M74 HydrophobicContact CZ2-SD 3.98Å; W70-M74 WeakPolarHBondContact O-CG 3.49Å; W70-M74 PolarHBondContact O-N 3.03Å; D71-M74 PolarHBondContact O-N 2.46Å; M74-R78 WeakPolarHBondContact O-CB 3.4Å; M74-R78 WeakPolarHBondContact O-CG 3.36Å; M74-R78 PolarHBondContact O-N 2.88Å
75Y92.1Very high92.6Very high132 Ų13253.5 Ų53.552%0.51825%0.251SS..Hα-helixtrans-61.9-47174.4179.2-103.4000112.1D71 E73 R78 R79D71-Y75 WeakPolarHBondContact O-CB 3.48Å; D71-Y75 PolarHBondContact O-N 3.19Å; E73-Y75 VanDerWaalsContact C-N 3.26Å; E73-Y75 PolarHBondContact O-N 2.87Å; Y75-R78 PolarHBondContact O-N 3.38Å; Y75-R79 HydrophobicContact CE2-CG 4.46Å; Y75-R79 VanDerWaalsContact CE2-NE 3.27Å; Y75-R79 WeakPolarHBondContact O-CB 3.5Å; Y75-R79 WeakPolarHBondContact O-CG 3.31Å; Y75-R79 PolarHBondContact O-N 2.92Å; Y75-R79 PolarHBondContact OH-NE 2.95Å; Y75-R79 PolarHBondContact OH-NH2 3.32Å
76R90Very high92.3Very high42 Ų4254.2 Ų54.216%0.15826%0.255CS..Hα-helixtrans-60.7-49.6176.8-176.2-167.970.4-157.610.3111.4D72 E73 R78 R79 G80 D134 N232D72-R76 VanDerWaalsContact O-CB 3.22Å; D72-R76 WeakPolarHBondContact O-CB 3.47Å; D72-R76 PolarHBondContact O-N 3Å; E73-R76 PolarHBondContact O-N 3.34Å; E73-R76 VanDerWaalsContact O-N 3.17Å; R76-R78 VanDerWaalsContact C-N 3.35Å; R76-R78 PolarHBondContact O-N 2.85Å; R76-R79 PolarHBondContact O-N 2.96Å; R76-G80 PolarHBondContact O-N 2.88Å; R76-D134 IonicContact NE-OD1 3.79Å; R76-N232 PolarHBondContact NH1-O 3.45Å
77L92.6Very high91.6Very high8 Ų855.1 Ų55.14%0.04226%0.26CS..Hα-helixtrans-60.4-44.2-179.2-70.2174.1000111.2F23 E73 G80 M81F23-L77 HydrophobicContact CE1-CB 3.93Å; F23-L77 HydrophobicContact CE1-CD1 4.31Å; F23-L77 HydrophobicContact CZ-CB 4.06Å; F23-L77 HydrophobicContact CZ-CD1 4.09Å; E73-L77 HydrophobicContact CG-CD1 3.93Å; E73-L77 HydrophobicContact CG-CG 4.36Å; E73-L77 WeakPolarHBondContact O-CB 3.48Å; E73-L77 WeakPolarHBondContact O-CG 3.1Å; E73-L77 PolarHBondContact O-N 3.49Å; L77-G80 PolarHBondContact O-N 2.91Å; L77-M81 WeakPolarHBondContact O-CG 3.45Å; L77-M81 PolarHBondContact O-N 3.2Å
78R92.3Very high90.4Very high97 Ų9755.7 Ų55.737%0.36627%0.268SS..Hα-helixtrans-66.3-38.5176.9-72.5-172.7-178-77.65.7112.9M74 Y75 R76 G80 M81 D210M74-R78 WeakPolarHBondContact O-CB 3.4Å; M74-R78 WeakPolarHBondContact O-CG 3.36Å; M74-R78 PolarHBondContact O-N 2.88Å; Y75-R78 PolarHBondContact O-N 3.38Å; R76-R78 VanDerWaalsContact C-N 3.35Å; R76-R78 PolarHBondContact O-N 2.85Å; R78-G80 VanDerWaalsContact C-N 3.3Å; R78-G80 PolarHBondContact O-N 3.29Å; R78-M81 HydrophobicContact CB-CE 4.38Å; R78-M81 HydrophobicContact CB-SD 4.45Å; R78-M81 HydrophobicContact CG-CE 3.84Å; R78-M81 HydrophobicContact CG-SD 4.35Å; R78-M81 WeakPolarHBondContact O-CB 3.32Å; R78-M81 PolarHBondContact O-N 2.9Å; R78-D210 IonicContact CZ-OD2 3.87Å; R78-D210 IonicContact NH1-OD2 3.25Å; R78-D210 PolarHBondContact NH1-OD2 3.43Å; R78-D210 IonicContact NH2-OD2 3.5Å; R78-D210 PolarHBondContact NH2-OD2 2.72Å
79R88.1Confident88.8Confident123 Ų12352.2 Ų52.246%0.46427%0.265SS..Hα-helixtrans-71-25.7175.2-78.8-167.8168.6-113.97.7113.9Y75 R76 M81Y75-R79 HydrophobicContact CE2-CG 4.46Å; Y75-R79 VanDerWaalsContact CE2-NE 3.27Å; Y75-R79 WeakPolarHBondContact O-CB 3.5Å; Y75-R79 WeakPolarHBondContact O-CG 3.31Å; Y75-R79 PolarHBondContact O-N 2.92Å; Y75-R79 PolarHBondContact OH-NE 2.95Å; Y75-R79 PolarHBondContact OH-NH2 3.32Å; R76-R79 PolarHBondContact O-N 2.96Å; R79-M81 VanDerWaalsContact C-N 3.32Å
80G89.7Confident86.9Confident37 Ų3752.8 Ų52.838%0.38126%0.262SS..THydrogen-bonded Turntrans-82.2-7.4176.500000114.1R76 L77 R78 F82R76-G80 PolarHBondContact O-N 2.88Å; L77-G80 PolarHBondContact O-N 2.91Å; R78-G80 VanDerWaalsContact C-N 3.3Å; R78-G80 PolarHBondContact O-N 3.29Å; G80-F82 PolarHBondContact O-N 3.25Å
81M94.3Very high84.7Confident12 Ų1253.4 Ų53.46%0.05928%0.277CS..PPolyproline II helixtrans-61.1135.9177.5-71.7171.7-175.200110.7F23 L77 R78 R79 G126 H149 V212F23-M81 HydrophobicContact CD1-CE 3.55Å; F23-M81 HydrophobicContact CD2-CE 4.48Å; F23-M81 HydrophobicContact CE1-CE 3.47Å; F23-M81 VanDerWaalsContact CE1-CE 3.47Å; F23-M81 HydrophobicContact CE2-CE 4.42Å; F23-M81 HydrophobicContact CG-CE 4.08Å; F23-M81 HydrophobicContact CZ-CE 3.94Å; L77-M81 WeakPolarHBondContact O-CG 3.45Å; L77-M81 PolarHBondContact O-N 3.2Å; R78-M81 HydrophobicContact CB-CE 4.38Å; R78-M81 HydrophobicContact CB-SD 4.45Å; R78-M81 HydrophobicContact CG-CE 3.84Å; R78-M81 HydrophobicContact CG-SD 4.35Å; R78-M81 WeakPolarHBondContact O-CB 3.32Å; R78-M81 PolarHBondContact O-N 2.9Å; R79-M81 VanDerWaalsContact C-N 3.32Å; M81-G126 PolarHBondContact O-N 3.39Å; M81-H149 CarbonylContact C-O 3.59Å; M81-H149 WeakPolarHBondContact CA-O 3.38Å; M81-H149 HydrophobicContact CE-CB 4.32Å; M81-H149 HydrophobicContact CG-CB 3.7Å; M81-V212 HydrophobicContact CE-CB 4.28Å; M81-V212 HydrophobicContact CE-CG1 3.55Å; M81-V212 HydrophobicContact CE-CG2 3.69Å; M81-V212 HydrophobicContact SD-CG1 4.07Å; M81-V212 HydrophobicContact SD-CG2 3.96Å
82F94.2Very high82.6Confident3 Ų352.5 Ų52.51%0.01327%0.271CS..EExtended strand (participates in β ladder)trans-74.3127.4172.1-68-69.3000110.5G80 I125 G126 L128 F131 V148 H149 F150 D151 R190 I192G80-F82 PolarHBondContact O-N 3.25Å; F82-I125 WeakPolarHBondContact CA-O 3.48Å; F82-G126 WeakPolarHBondContact CD1-O 3.45Å; F82-G126 VanDerWaalsContact CE1-O 3.26Å; F82-G126 WeakPolarHBondContact CE1-O 3.32Å; F82-L128 HydrophobicContact CE1-CD2 4.1Å; F82-F131 HydrophobicContact CE1-CB 4.22Å; F82-F131 HydrophobicContact CE1-CG 4.44Å; F82-F131 HydrophobicContact CE2-CB 4.26Å; F82-F131 HydrophobicContact CE2-CD2 4.33Å; F82-F131 HydrophobicContact CE2-CG 4.29Å; F82-F131 HydrophobicContact CZ-CB 3.51Å; F82-F131 AromaticContact CZ-CD1 3.89Å; F82-F131 HydrophobicContact CZ-CD1 3.89Å; F82-F131 AromaticContact CZ-CD2 3.97Å; F82-F131 HydrophobicContact CZ-CD2 3.97Å; F82-F131 AromaticContact CZ-CG 3.52Å; F82-F131 HydrophobicContact CZ-CG 3.52Å; F82-V148 HydrophobicContact CD2-CB 4.47Å; F82-V148 HydrophobicContact CE2-CB 4.07Å; F82-V148 HydrophobicContact CE2-CG1 4.04Å; F82-H149 PolarHBondContact N-O 3.36Å; F82-F150 HydrophobicContact CB-CD1 3.48Å; F82-F150 VanDerWaalsContact CB-CD1 3.48Å; F82-F150 HydrophobicContact CB-CE1 3.73Å; F82-F150 HydrophobicContact CB-CG 4.03Å; F82-F150 HydrophobicContact CB-CZ 4.45Å; F82-F150 HydrophobicContact CD2-CD1 4.33Å; F82-F150 AromaticContact CD2-CE1 3.96Å; F82-F150 HydrophobicContact CD2-CE1 3.96Å; F82-F150 HydrophobicContact CD2-CE2 4.14Å; F82-F150 AromaticContact CD2-CZ 3.84Å; F82-F150 HydrophobicContact CD2-CZ 3.84Å; F82-F150 HydrophobicContact CG-CD1 4.27Å; F82-F150 HydrophobicContact CG-CE1 4.07Å; F82-F150 HydrophobicContact CG-CZ 4.41Å; F82-F150 CarbonylContact O-C 3.55Å; F82-F150 WeakPolarHBondContact O-CA 3.27Å; F82-D151 PolarHBondContact O-N 3.36Å; F82-R190 HydrophobicContact CB-CG 3.99Å; F82-R190 HydrophobicContact CG-CG 4.46Å; F82-I192 HydrophobicContact CD1-CG2 4.29Å; F82-I192 HydrophobicContact CD2-CG2 4.13Å; F82-I192 HydrophobicContact CE1-CG2 3.92Å; F82-I192 HydrophobicContact CE2-CD1 4.16Å; F82-I192 HydrophobicContact CE2-CG2 3.75Å; F82-I192 HydrophobicContact CG-CG2 4.37Å; F82-I192 HydrophobicContact CZ-CB 4.49Å; F82-I192 HydrophobicContact CZ-CG2 3.62Å
83A92.3Very high80.5Confident24 Ų2457.6 Ų57.620%0.19828%0.282CS..EExtended strand (participates in β ladder)trans-81.7141.9170.800000110.3L85 I125 R190A83-L85 PolarHBondContact O-N 3.07Å; A83-I125 HydrophobicContact CB-CG2 4.18Å; A83-I125 PolarHBondContact N-O 2.67Å; A83-R190 VanDerWaalsContact O-CD 3.22Å; A83-R190 WeakPolarHBondContact O-CD 3.34Å
84L91.4Very high78.5Confident17 Ų1763.7 Ų63.79%0.08933%0.325CS..PPolyproline II helixtrans-75.8122.5168.5-55.8-176.4000109.5F150 F155 V171 A173 F188 R190L84-F150 HydrophobicContact CD2-CD1 3.99Å; L84-F155 HydrophobicContact CD1-CD2 4.4Å; L84-F155 HydrophobicContact CD1-CE2 4.16Å; L84-V171 HydrophobicContact CD1-CG1 4.35Å; L84-V171 HydrophobicContact CD2-CB 3.98Å; L84-V171 HydrophobicContact CD2-CG1 3.64Å; L84-A173 HydrophobicContact CD1-CB 3.66Å; L84-F188 HydrophobicContact CB-CB 3.79Å; L84-R190 HydrophobicContact CD2-CB 3.7Å
85L87.8Confident76.7Confident8 Ų867.9 Ų67.94%0.04236%0.355CS..EExtended strand (participates in β ladder)trans-92.1136.6-174.7-62-176.4000111.2A83 L87 M103 M106 I110 I125 F188 C189 R190A83-L85 PolarHBondContact O-N 3.07Å; L85-L87 PolarHBondContact O-N 2.92Å; L85-M103 HydrophobicContact CD1-SD 4.09Å; L85-M106 HydrophobicContact CB-CE 3.37Å; L85-M106 HydrophobicContact CD1-CB 4.12Å; L85-M106 HydrophobicContact CD1-CE 3.51Å; L85-M106 HydrophobicContact CG-CE 4.05Å; L85-I110 HydrophobicContact CD1-CD1 4.17Å; L85-I110 HydrophobicContact CD2-CD1 4.06Å; L85-I125 HydrophobicContact CD1-CG2 4.32Å; L85-I125 HydrophobicContact CD2-CD1 3.95Å; L85-I125 HydrophobicContact CD2-CG2 3.73Å; L85-I125 HydrophobicContact CG-CG2 4.29Å; L85-F188 CarbonylContact O-C 3.52Å; L85-F188 WeakPolarHBondContact O-CA 3.09Å; L85-C189 PolarHBondContact N-O 3.47Å; L85-C189 PolarHBondContact O-N 3.47Å; L85-R190 VanDerWaalsContact CD1-NH1 3.29Å
86P85.2Confident75Confident35 Ų3565.3 Ų65.323%0.22735%0.345CS..EExtended strand (participates in β ladder)trans-65.6128.518027-33.6000110.4N89 F90 F188P86-N89 HydrophobicContact CB-CB 4.4Å; P86-N89 HydrophobicContact CG-CB 4.08Å; P86-F90 HydrophobicContact CG-CE2 4.46Å; P86-F90 WeakPolarHBondContact O-CD2 3.38Å; P86-F188 HydrophobicContact CB-CD1 3.99Å; P86-F188 HydrophobicContact CB-CE1 3.86Å
87L80.8Confident73.7Confident19 Ų1967.4 Ų67.410%0.09936%0.364CS..SBendtrans-77.2-29.4177.3-69.5-177.2000112.4L85 N89 L92 M103 E187 C189L85-L87 PolarHBondContact O-N 2.92Å; L87-N89 PolarHBondContact O-N 3.11Å; L87-L92 HydrophobicContact CB-CD1 3.88Å; L87-L92 HydrophobicContact CD1-CD1 4.19Å; L87-L92 HydrophobicContact CD2-CD1 4.37Å; L87-L92 HydrophobicContact CG-CD1 4.38Å; L87-M103 HydrophobicContact CD2-CE 4.12Å; L87-E187 HydrophobicContact CB-CB 4.38Å; L87-E187 HydrophobicContact CD1-CB 4.08Å; L87-E187 PolarHBondContact N-O 3.11Å; L87-C189 HydrophobicContact CD1-CB 3.88Å; L87-C189 HydrophobicContact CD2-CB 3.75Å; L87-C189 HydrophobicContact CG-CB 3.88Å
88D70.3Confident72.7Confident88 Ų8868.6 Ų68.647%0.47137%0.371SS..G310 helixtrans-69.2-34.7-175.6-55.5-34.2000112.5F90 G91 R186D88-F90 VanDerWaalsContact C-N 3.29Å; D88-F90 PolarHBondContact O-N 3.03Å; D88-G91 PolarHBondContact O-N 3.07Å; D88-R186 WeakPolarHBondContact OD2-CA 3.29Å
89N60.6Low71.7Confident132 Ų13266.7 Ų66.771%0.70637%0.371SS*.G310 helixtrans-68.9-25.8-176.5-80.853.6000113.5P86 L87P86-N89 HydrophobicContact CB-CB 4.4Å; P86-N89 HydrophobicContact CG-CB 4.08Å; L87-N89 PolarHBondContact O-N 3.11Å
90F53.8Low71.1Confident57 Ų5761.6 Ų61.625%0.2535%0.352CS..G310 helixtrans-99.910.6-175.4-65.5-84000113.1P86 D88 L102 M106P86-F90 HydrophobicContact CG-CE2 4.46Å; P86-F90 WeakPolarHBondContact O-CD2 3.38Å; D88-F90 VanDerWaalsContact C-N 3.29Å; D88-F90 PolarHBondContact O-N 3.03Å; F90-L102 HydrophobicContact CB-CD1 4.23Å; F90-M106 HydrophobicContact CB-CG 4.37Å; F90-M106 HydrophobicContact CB-SD 3.95Å; F90-M106 HydrophobicContact CD1-CE 4.48Å; F90-M106 HydrophobicContact CD1-CG 3.52Å; F90-M106 HydrophobicContact CD1-SD 4.11Å; F90-M106 HydrophobicContact CD2-CE 3.15Å; F90-M106 HydrophobicContact CD2-CG 3.95Å; F90-M106 HydrophobicContact CD2-SD 3.56Å; F90-M106 VanDerWaalsContact CD2-SD 3.56Å; F90-M106 HydrophobicContact CE1-CB 4.28Å; F90-M106 HydrophobicContact CE1-CE 4.5Å; F90-M106 HydrophobicContact CE1-CG 3.64Å; F90-M106 HydrophobicContact CE2-CE 3.2Å; F90-M106 HydrophobicContact CE2-CG 4.08Å; F90-M106 HydrophobicContact CE2-SD 4.05Å; F90-M106 HydrophobicContact CG-CE 3.84Å; F90-M106 HydrophobicContact CG-CG 3.66Å; F90-M106 HydrophobicContact CG-SD 3.58Å; F90-M106 VanDerWaalsContact CG-SD 3.58Å; F90-M106 HydrophobicContact CZ-CB 4.31Å; F90-M106 HydrophobicContact CZ-CE 3.9Å; F90-M106 HydrophobicContact CZ-CG 3.91Å; F90-M106 HydrophobicContact CZ-SD 4.49Å
91G49Very low70.4Confident39 Ų3961.8 Ų61.840%0.40234%0.344SS..THydrogen-bonded Turntrans55.475.4171.400000111.7D88 R93D88-G91 PolarHBondContact O-N 3.07Å; G91-R93 PolarHBondContact O-N 3.35Å
92L50.8Low69.6Low109 Ų10961.5 Ų61.557%0.57134%0.343SS*.  trans-60.960164.8-82167.6000111.3L87 S94 L102L87-L92 HydrophobicContact CB-CD1 3.88Å; L87-L92 HydrophobicContact CD1-CD1 4.19Å; L87-L92 HydrophobicContact CD2-CD1 4.37Å; L87-L92 HydrophobicContact CG-CD1 4.38Å; L92-S94 PolarHBondContact O-N 2.97Å; L92-S94 VanDerWaalsContact O-N 3.1Å; L92-L102 HydrophobicContact CD2-CD2 4.1Å
93R48Very low68.9Low215 Ų21561.5 Ų61.581%0.81134%0.343SS*.  trans-76.376.5155.9-71.9-175.8173.2-124.60.2106G91 S95G91-R93 PolarHBondContact O-N 3.35Å; R93-S95 WeakPolarHBondContact O-CA 3.48Å; R93-S95 WeakPolarHBondContact O-CB 3.18Å; R93-S95 PolarHBondContact O-N 3.15Å
94S51.7Low68.3Low128 Ų12862.3 Ų62.390%0.89534%0.344SS*.SBendtrans30.917.6153.868.60000121.4L92L92-S94 PolarHBondContact O-N 2.97Å; L92-S94 VanDerWaalsContact O-N 3.1Å
95S56.6Low67.7Low100 Ų10067.4 Ų67.470%0.69936%0.362SS*.  trans-1230.3-163.1-167.90000113R93R93-S95 WeakPolarHBondContact O-CA 3.48Å; R93-S95 WeakPolarHBondContact O-CB 3.18Å; R93-S95 PolarHBondContact O-N 3.15Å
96Y56.2Low67.3Low79 Ų7967 Ų6731%0.3136%0.36SS..  trans-89.4120.1170.5-69.2-71.9000109.2D98 L102Y96-D98 VanDerWaalsContact C-N 3.31Å; Y96-D98 PolarHBondContact O-N 2.99Å; Y96-L102 HydrophobicContact CD2-CB 4.5Å; Y96-L102 HydrophobicContact CD2-CD1 4.02Å; Y96-L102 HydrophobicContact CD2-CD2 4.43Å; Y96-L102 HydrophobicContact CE2-CD1 3.79Å; Y96-L102 HydrophobicContact CG-CB 4.25Å; Y96-L102 HydrophobicContact CG-CD1 4.47Å
97P62.1Low67Low85 Ų8566.2 Ų66.255%0.55235%0.354SS*.SBendtrans-65.4-36-178.7-1526.7000112.3
98D70.6Confident66.9Low33 Ų3369.4 Ų69.418%0.17637%0.371CS..  trans-131125.4179.1-171-9.3000110.7Y96 F100 D101 L102 R168 V359Y96-D98 VanDerWaalsContact C-N 3.31Å; Y96-D98 PolarHBondContact O-N 2.99Å; D98-F100 PolarHBondContact O-N 2.84Å; D98-F100 VanDerWaalsContact O-N 3.15Å; D98-F100 PolarHBondContact OD1-N 3.29Å; D98-D101 PolarHBondContact O-N 3.24Å; D98-D101 VanDerWaalsContact O-N 3.08Å; D98-L102 PolarHBondContact O-N 3.33Å; D98-R168 IonicContact OD1-NH1 3.51Å; D98-R168 PolarHBondContact OD1-NH1 2.98Å; D98-R168 VanDerWaalsContact OD1-NH1 3.1Å; D98-V359 HydrophobicContact CB-CG2 4.12Å
99P71.2Confident67.3Low58 Ų5869 Ų6938%0.37737%0.366SS..Hα-helixtrans-54.6-24.1170.9-27.935.7000115.3L102 M103 M191P99-L102 WeakPolarHBondContact O-CB 3.48Å; P99-L102 PolarHBondContact O-N 3.12Å; P99-M103 WeakPolarHBondContact O-CG 3.27Å; P99-M103 PolarHBondContact O-N 2.91Å; P99-M103 VanDerWaalsContact O-N 3.07Å; P99-M191 HydrophobicContact CB-CE 3.39Å; P99-M191 HydrophobicContact CB-SD 3.49Å; P99-M191 WeakPolarHBondContact CB-SD 3.41Å; P99-M191 HydrophobicContact CG-CE 4.22Å
100F75.8Confident68.1Low16 Ų1664 Ų647%0.0734%0.339CS..Hα-helixtrans-66.1-40.8172.6-92.8-61.4000113D98 L102 M103 N104 R168 M191 E193D98-F100 PolarHBondContact O-N 2.84Å; D98-F100 VanDerWaalsContact O-N 3.15Å; D98-F100 PolarHBondContact OD1-N 3.29Å; F100-L102 PolarHBondContact O-N 3.31Å; F100-M103 PolarHBondContact O-N 3.42Å; F100-M103 VanDerWaalsContact O-N 3.13Å; F100-N104 WeakPolarHBondContact O-CB 3.5Å; F100-N104 PolarHBondContact O-N 2.9Å; F100-N104 PolarHBondContact O-ND2 2.77Å; F100-R168 HydrophobicContact CE2-CB 3.83Å; F100-R168 HydrophobicContact CE2-CG 3.39Å; F100-R168 VanDerWaalsContact CE2-NE 3.29Å; F100-R168 HydrophobicContact CZ-CB 3.91Å; F100-R168 HydrophobicContact CZ-CG 3.38Å; F100-M191 HydrophobicContact CD1-CB 3.78Å; F100-M191 HydrophobicContact CE1-CB 3.54Å; F100-M191 HydrophobicContact CZ-CB 4.13Å; F100-E193 HydrophobicContact CE1-CG 4.13Å; F100-E193 HydrophobicContact CZ-CG 3.9Å
101D76.5Confident69.1Low40 Ų4064.7 Ų64.721%0.21434%0.343CS..Hα-helixtrans-63.1-36.1177.3-73.5-26.4000110.9D98 R105D98-D101 PolarHBondContact O-N 3.24Å; D98-D101 VanDerWaalsContact O-N 3.08Å; D101-R105 WeakPolarHBondContact O-CB 3.4Å; D101-R105 PolarHBondContact O-N 3.02Å
102L77.7Confident70.5Confident7 Ų767.9 Ų67.94%0.03735%0.347CS..Hα-helixtrans-61.9-48.4171.9175.261.7000110.9F90 L92 Y96 D98 P99 F100 N104 R105 M106F90-L102 HydrophobicContact CB-CD1 4.23Å; L92-L102 HydrophobicContact CD2-CD2 4.1Å; Y96-L102 HydrophobicContact CD2-CB 4.5Å; Y96-L102 HydrophobicContact CD2-CD1 4.02Å; Y96-L102 HydrophobicContact CD2-CD2 4.43Å; Y96-L102 HydrophobicContact CE2-CD1 3.79Å; Y96-L102 HydrophobicContact CG-CB 4.25Å; Y96-L102 HydrophobicContact CG-CD1 4.47Å; D98-L102 PolarHBondContact O-N 3.33Å; P99-L102 WeakPolarHBondContact O-CB 3.48Å; P99-L102 PolarHBondContact O-N 3.12Å; F100-L102 PolarHBondContact O-N 3.31Å; L102-N104 PolarHBondContact O-N 3.06Å; L102-R105 WeakPolarHBondContact O-CB 3.48Å; L102-R105 PolarHBondContact O-N 2.66Å; L102-M106 HydrophobicContact CD1-CG 4.09Å; L102-M106 HydrophobicContact CD1-SD 3.76Å; L102-M106 HydrophobicContact CD2-SD 4.3Å; L102-M106 HydrophobicContact CG-CG 4.43Å; L102-M106 HydrophobicContact CG-SD 3.63Å; L102-M106 WeakPolarHBondContact O-CB 3.43Å; L102-M106 WeakPolarHBondContact O-CG 3.46Å; L102-M106 PolarHBondContact O-N 2.96Å
103M79.5Confident71.8Confident2 Ų266.9 Ų66.91%0.0134%0.342CS..Hα-helixtrans-61.2-44.8177.8-69.2-67.4169.200112.3L85 L87 P99 F100 R105 M106 E107 L128 C189 M191L85-M103 HydrophobicContact CD1-SD 4.09Å; L87-M103 HydrophobicContact CD2-CE 4.12Å; P99-M103 WeakPolarHBondContact O-CG 3.27Å; P99-M103 PolarHBondContact O-N 2.91Å; P99-M103 VanDerWaalsContact O-N 3.07Å; F100-M103 PolarHBondContact O-N 3.42Å; F100-M103 VanDerWaalsContact O-N 3.13Å; M103-R105 VanDerWaalsContact C-N 3.32Å; M103-R105 PolarHBondContact O-N 3.13Å; M103-M106 PolarHBondContact O-N 3.17Å; M103-M106 HydrophobicContact SD-CE 4.44Å; M103-E107 PolarHBondContact O-N 3.22Å; M103-L128 HydrophobicContact CB-CD1 4.25Å; M103-C189 HydrophobicContact CE-CB 3.62Å; M103-C189 VanDerWaalsContact CE-O 3.23Å; M103-C189 WeakPolarHBondContact CE-O 3.35Å; M103-M191 HydrophobicContact CE-SD 4.4Å; M103-M191 HydrophobicContact CG-CB 4.43Å; M103-M191 HydrophobicContact CG-SD 4.1Å
104N78.9Confident72.9Confident41 Ų4159.8 Ų59.822%0.21932%0.315CS..Hα-helixtrans-59.8-42.1176-79.8-36.3000111.7F100 L102 N108F100-N104 WeakPolarHBondContact O-CB 3.5Å; F100-N104 PolarHBondContact O-N 2.9Å; F100-N104 PolarHBondContact O-ND2 2.77Å; L102-N104 PolarHBondContact O-N 3.06Å; N104-N108 VanDerWaalsContact O-CG 3.23Å; N104-N108 PolarHBondContact O-N 2.85Å; N104-N108 VanDerWaalsContact O-N 3.07Å; N104-N108 PolarHBondContact O-ND2 2.58Å; N104-N108 VanDerWaalsContact O-ND2 3.11Å
105R78.5Confident74.1Confident125 Ų12558.8 Ų58.847%0.47230%0.3SS..Hα-helixtrans-63.4-48.9174.7-179.6-172.4-60.6-124.7-2111.4D101 L102 M103 E107 N108 E109D101-R105 WeakPolarHBondContact O-CB 3.4Å; D101-R105 PolarHBondContact O-N 3.02Å; L102-R105 WeakPolarHBondContact O-CB 3.48Å; L102-R105 PolarHBondContact O-N 2.66Å; M103-R105 VanDerWaalsContact C-N 3.32Å; M103-R105 PolarHBondContact O-N 3.13Å; R105-E107 PolarHBondContact O-N 3.43Å; R105-N108 PolarHBondContact O-N 2.73Å; R105-N108 VanDerWaalsContact O-N 3.11Å; R105-E109 WeakPolarHBondContact O-CG 3.35Å; R105-E109 PolarHBondContact O-N 2.96Å
106M79.4Confident75.1Confident0 Ų063.8 Ų63.80%030%0.303CS..Hα-helixtrans-57.6-40.8179.1-72.6168.954.300111.2L85 F90 L102 M103 E109 I110L85-M106 HydrophobicContact CB-CE 3.37Å; L85-M106 HydrophobicContact CD1-CB 4.12Å; L85-M106 HydrophobicContact CD1-CE 3.51Å; L85-M106 HydrophobicContact CG-CE 4.05Å; F90-M106 HydrophobicContact CB-CG 4.37Å; F90-M106 HydrophobicContact CB-SD 3.95Å; F90-M106 HydrophobicContact CD1-CE 4.48Å; F90-M106 HydrophobicContact CD1-CG 3.52Å; F90-M106 HydrophobicContact CD1-SD 4.11Å; F90-M106 HydrophobicContact CD2-CE 3.15Å; F90-M106 HydrophobicContact CD2-CG 3.95Å; F90-M106 HydrophobicContact CD2-SD 3.56Å; F90-M106 VanDerWaalsContact CD2-SD 3.56Å; F90-M106 HydrophobicContact CE1-CB 4.28Å; F90-M106 HydrophobicContact CE1-CE 4.5Å; F90-M106 HydrophobicContact CE1-CG 3.64Å; F90-M106 HydrophobicContact CE2-CE 3.2Å; F90-M106 HydrophobicContact CE2-CG 4.08Å; F90-M106 HydrophobicContact CE2-SD 4.05Å; F90-M106 HydrophobicContact CG-CE 3.84Å; F90-M106 HydrophobicContact CG-CG 3.66Å; F90-M106 HydrophobicContact CG-SD 3.58Å; F90-M106 VanDerWaalsContact CG-SD 3.58Å; F90-M106 HydrophobicContact CZ-CB 4.31Å; F90-M106 HydrophobicContact CZ-CE 3.9Å; F90-M106 HydrophobicContact CZ-CG 3.91Å; F90-M106 HydrophobicContact CZ-SD 4.49Å; L102-M106 HydrophobicContact CD1-CG 4.09Å; L102-M106 HydrophobicContact CD1-SD 3.76Å; L102-M106 HydrophobicContact CD2-SD 4.3Å; L102-M106 HydrophobicContact CG-CG 4.43Å; L102-M106 HydrophobicContact CG-SD 3.63Å; L102-M106 WeakPolarHBondContact O-CB 3.43Å; L102-M106 WeakPolarHBondContact O-CG 3.46Å; L102-M106 PolarHBondContact O-N 2.96Å; M103-M106 PolarHBondContact O-N 3.17Å; M103-M106 HydrophobicContact SD-CE 4.44Å; M106-E109 PolarHBondContact O-N 3.47Å; M106-I110 WeakPolarHBondContact O-CB 3.47Å; M106-I110 VanDerWaalsContact O-CD1 3.23Å; M106-I110 WeakPolarHBondContact O-CD1 3.44Å; M106-I110 WeakPolarHBondContact O-CG1 3.43Å; M106-I110 PolarHBondContact O-N 3.18Å
107E78.2Confident75.8Confident18 Ų1863.8 Ų63.88%0.08431%0.311CS..Hα-helixtrans-63-45.3173.3-97.5165.4-123.200114.2M103 R105 E109 I110 E111 L128 R190M103-E107 PolarHBondContact O-N 3.22Å; R105-E107 PolarHBondContact O-N 3.43Å; E107-E109 VanDerWaalsContact C-N 3.28Å; E107-E109 PolarHBondContact O-N 3.11Å; E107-I110 PolarHBondContact O-N 2.91Å; E107-E111 WeakPolarHBondContact O-CB 3.42Å; E107-E111 PolarHBondContact O-N 2.88Å; E107-L128 VanDerWaalsContact CD-CG 3.48Å; E107-L128 WeakPolarHBondContact OE1-CD1 3.4Å; E107-L128 WeakPolarHBondContact OE1-CG 2.99Å; E107-L128 VanDerWaalsContact OE2-CB 3.24Å; E107-L128 WeakPolarHBondContact OE2-CB 3.48Å; E107-L128 VanDerWaalsContact OE2-CG 3.31Å; E107-L128 WeakPolarHBondContact OE2-CG 3.36Å; E107-L128 PolarHBondContact OE2-N 2.83Å; E107-R190 VanDerWaalsContact CD-NH2 3.32Å; E107-R190 IonicContact OE1-CZ 2.67Å; E107-R190 IonicContact OE1-NH1 3.93Å; E107-R190 PolarHBondContact OE1-NH1 3.41Å; E107-R190 IonicContact OE1-NH2 3.23Å; E107-R190 PolarHBondContact OE1-NH2 3.12Å; E107-R190 IonicContact OE2-NH2 3.08Å
108N79.1Confident75.8Confident86 Ų8661.5 Ų61.546%0.4630%0.303SS..Hα-helixtrans-61.2-41.6177.1-67-32.5000110.5N104 R105 E111 E112N104-N108 VanDerWaalsContact O-CG 3.23Å; N104-N108 PolarHBondContact O-N 2.85Å; N104-N108 VanDerWaalsContact O-N 3.07Å; N104-N108 PolarHBondContact O-ND2 2.58Å; N104-N108 VanDerWaalsContact O-ND2 3.11Å; R105-N108 PolarHBondContact O-N 2.73Å; R105-N108 VanDerWaalsContact O-N 3.11Å; N108-E111 PolarHBondContact O-N 2.95Å; N108-E112 WeakPolarHBondContact O-CB 3.35Å; N108-E112 WeakPolarHBondContact O-CG 3.41Å; N108-E112 PolarHBondContact O-N 3.34Å
109E79.3Confident75.1Confident79 Ų7966 Ų6637%0.36932%0.324SS..Hα-helixtrans-63.6-44.2175.8-72.2178.4-166.600112.2R105 M106 E107 E111 E112 I113R105-E109 WeakPolarHBondContact O-CG 3.35Å; R105-E109 PolarHBondContact O-N 2.96Å; M106-E109 PolarHBondContact O-N 3.47Å; E107-E109 VanDerWaalsContact C-N 3.28Å; E107-E109 PolarHBondContact O-N 3.11Å; E109-E111 VanDerWaalsContact C-N 3.34Å; E109-E111 PolarHBondContact O-N 3.11Å; E109-E112 WeakPolarHBondContact O-CB 2.98Å; E109-E112 PolarHBondContact O-N 3.19Å; E109-I113 VanDerWaalsContact O-CG1 3.27Å; E109-I113 WeakPolarHBondContact O-CG1 3.13Å; E109-I113 PolarHBondContact O-N 3.34Å
110I77.3Confident74.2Confident26 Ų2668.7 Ų68.713%0.13335%0.345CS..Hα-helixtrans-63.5-42.5177.1-69.9157.7000110.3L85 M106 E107 I113 R114 V122 I125L85-I110 HydrophobicContact CD1-CD1 4.17Å; L85-I110 HydrophobicContact CD2-CD1 4.06Å; M106-I110 WeakPolarHBondContact O-CB 3.47Å; M106-I110 VanDerWaalsContact O-CD1 3.23Å; M106-I110 WeakPolarHBondContact O-CD1 3.44Å; M106-I110 WeakPolarHBondContact O-CG1 3.43Å; M106-I110 PolarHBondContact O-N 3.18Å; E107-I110 PolarHBondContact O-N 2.91Å; I110-I113 WeakPolarHBondContact O-CB 3Å; I110-I113 PolarHBondContact O-N 3.47Å; I110-R114 WeakPolarHBondContact O-CB 3.27Å; I110-R114 PolarHBondContact O-N 3.13Å; I110-V122 HydrophobicContact CG2-CG1 4.07Å; I110-I125 HydrophobicContact CB-CD1 4.17Å; I110-I125 HydrophobicContact CD1-CD1 3.41Å; I110-I125 VanDerWaalsContact CD1-CD1 3.41Å; I110-I125 HydrophobicContact CG1-CD1 4.01Å; I110-I125 HydrophobicContact CG2-CD1 3.33Å; I110-I125 HydrophobicContact CG2-CG1 4.02Å
111E75.4Confident72.7Confident73 Ų7378 Ų7834%0.34138%0.379SS..Hα-helixtrans-68.4-36.5178.9-16659.9-150.900111.2E107 N108 E109 R114 N115E107-E111 WeakPolarHBondContact O-CB 3.42Å; E107-E111 PolarHBondContact O-N 2.88Å; N108-E111 PolarHBondContact O-N 2.95Å; E109-E111 VanDerWaalsContact C-N 3.34Å; E109-E111 PolarHBondContact O-N 3.11Å; E111-R114 WeakPolarHBondContact O-CB 3.33Å; E111-R114 PolarHBondContact O-N 3.29Å; E111-R114 IonicContact OE1-NH1 3.62Å; E111-R114 PolarHBondContact OE1-NH1 3.27Å; E111-R114 WeakPolarHBondContact OE2-CD 3.37Å; E111-R114 IonicContact OE2-NH1 2.67Å; E111-R114 PolarHBondContact OE2-NH1 3.1Å; E111-N115 WeakPolarHBondContact O-CB 3.24Å; E111-N115 VanDerWaalsContact O-CG 3.25Å; E111-N115 PolarHBondContact O-N 3.14Å; E111-N115 PolarHBondContact O-ND2 3.14Å; E111-N115 VanDerWaalsContact O-ND2 3.14Å
112E78.3Confident71.7Confident106 Ų10677.9 Ų77.950%0.49538%0.38SS..Hα-helixtrans-60.3-44.4169.3-78.2-174.8-164.100112N108 E109 R114 N115 R116N108-E112 WeakPolarHBondContact O-CB 3.35Å; N108-E112 WeakPolarHBondContact O-CG 3.41Å; N108-E112 PolarHBondContact O-N 3.34Å; E109-E112 WeakPolarHBondContact O-CB 2.98Å; E109-E112 PolarHBondContact O-N 3.19Å; E112-R114 VanDerWaalsContact C-N 3.32Å; E112-R114 PolarHBondContact O-N 2.85Å; E112-N115 PolarHBondContact O-N 2.89Å; E112-R116 WeakPolarHBondContact O-CG 3.27Å; E112-R116 PolarHBondContact O-N 2.62Å
113I76.8Confident70.6Confident88 Ų8884.2 Ų84.245%0.45141%0.413SS..Hα-helixtrans-61.3-44175.1-68.4164000110.2E109 I110 N115 R116 V117 V122E109-I113 VanDerWaalsContact O-CG1 3.27Å; E109-I113 WeakPolarHBondContact O-CG1 3.13Å; E109-I113 PolarHBondContact O-N 3.34Å; I110-I113 WeakPolarHBondContact O-CB 3Å; I110-I113 PolarHBondContact O-N 3.47Å; I113-N115 VanDerWaalsContact C-N 3.32Å; I113-N115 PolarHBondContact O-N 3.35Å; I113-R116 PolarHBondContact O-N 2.77Å; I113-R116 VanDerWaalsContact O-N 3.12Å; I113-V117 HydrophobicContact CG2-CG2 3.98Å; I113-V117 WeakPolarHBondContact O-CB 3.36Å; I113-V117 WeakPolarHBondContact O-CG2 3.21Å; I113-V117 PolarHBondContact O-N 3.03Å; I113-V122 HydrophobicContact CG2-CG2 4.31Å
114R72.6Confident69.7Low66 Ų6685.8 Ų85.825%0.24943%0.429CS..Hα-helixtrans-60-42.8177.9-173.8-176.6-176.5-163.1-2.2111.9I110 E111 E112 R116 G118 V122I110-R114 WeakPolarHBondContact O-CB 3.27Å; I110-R114 PolarHBondContact O-N 3.13Å; E111-R114 WeakPolarHBondContact O-CB 3.33Å; E111-R114 PolarHBondContact O-N 3.29Å; E111-R114 IonicContact OE1-NH1 3.62Å; E111-R114 PolarHBondContact OE1-NH1 3.27Å; E111-R114 WeakPolarHBondContact OE2-CD 3.37Å; E111-R114 IonicContact OE2-NH1 2.67Å; E111-R114 PolarHBondContact OE2-NH1 3.1Å; E112-R114 VanDerWaalsContact C-N 3.32Å; E112-R114 PolarHBondContact O-N 2.85Å; R114-R116 VanDerWaalsContact C-N 3.3Å; R114-R116 PolarHBondContact O-N 2.95Å; R114-G118 CarbonylContact O-C 3.55Å; R114-G118 PolarHBondContact O-N 2.9Å; R114-G118 VanDerWaalsContact O-N 3.1Å; R114-V122 HydrophobicContact CB-CB 4.4Å; R114-V122 HydrophobicContact CB-CG2 4.38Å; R114-V122 HydrophobicContact CG-CB 4.4Å
115N77Confident69.1Low107 Ų10785.2 Ų85.257%0.57243%0.426SS*.Hα-helixtrans-64.6-33.9175.7-73-32.5000112.3E111 E112 I113E111-N115 WeakPolarHBondContact O-CB 3.24Å; E111-N115 VanDerWaalsContact O-CG 3.25Å; E111-N115 PolarHBondContact O-N 3.14Å; E111-N115 PolarHBondContact O-ND2 3.14Å; E111-N115 VanDerWaalsContact O-ND2 3.14Å; E112-N115 PolarHBondContact O-N 2.89Å; I113-N115 VanDerWaalsContact C-N 3.32Å; I113-N115 PolarHBondContact O-N 3.35Å
116R77.4Confident68.6Low205 Ų20579.7 Ų79.777%0.77441%0.408SS*.Hα-helixtrans-79.9-40178.4-70.3176.9-173.8-157.97114.1E112 I113 R114E112-R116 WeakPolarHBondContact O-CG 3.27Å; E112-R116 PolarHBondContact O-N 2.62Å; I113-R116 PolarHBondContact O-N 2.77Å; I113-R116 VanDerWaalsContact O-N 3.12Å; R114-R116 VanDerWaalsContact C-N 3.3Å; R114-R116 PolarHBondContact O-N 2.95Å
117V71Confident68.4Low78 Ų7882.1 Ų82.147%0.47343%0.428SS..Hα-helixtrans-92.9-9.8-171-177.20000112.4I113 R121I113-V117 HydrophobicContact CG2-CG2 3.98Å; I113-V117 WeakPolarHBondContact O-CB 3.36Å; I113-V117 WeakPolarHBondContact O-CG2 3.21Å; I113-V117 PolarHBondContact O-N 3.03Å; V117-R121 HydrophobicContact CG1-CB 4.17Å
118G61.5Low68.3Low37 Ų3782.2 Ų82.238%0.38143%0.429SS..  trans88.8132.3-176.800000111.8R114 S120 R121R114-G118 CarbonylContact O-C 3.55Å; R114-G118 PolarHBondContact O-N 2.9Å; R114-G118 VanDerWaalsContact O-N 3.1Å; G118-S120 PolarHBondContact O-N 3.4Å; G118-R121 PolarHBondContact O-N 2.88Å
119M55.4Low68Low128 Ų12880.1 Ų80.163%0.63142%0.418SS*.THydrogen-bonded Turntrans-53.1-20.6-164-72-174.2-16600116.9
120S52.5Low68.1Low115 Ų11578.5 Ų78.580%0.80441%0.412SS*.THydrogen-bonded Turntrans-85.5-15.5-173-168.30000114.5G118G118-S120 PolarHBondContact O-N 3.4Å
121R45.4Very low68.7Low212 Ų21278.4 Ų78.480%0.841%0.41SS*.SBendtrans-93.5-17.4-172.7-79.9-173.9164.6-170.7-3.5114.9V117 G118V117-R121 HydrophobicContact CG1-CB 4.17Å; G118-R121 PolarHBondContact O-N 2.88Å
122V53.7Low69.4Low36 Ų3675.5 Ų75.522%0.21840%0.397CS..SBendtrans-105.1124.6-179.3-172.80000108.1I110 I113 R114I110-V122 HydrophobicContact CG2-CG1 4.07Å; I113-V122 HydrophobicContact CG2-CG2 4.31Å; R114-V122 HydrophobicContact CB-CB 4.4Å; R114-V122 HydrophobicContact CB-CG2 4.38Å; R114-V122 HydrophobicContact CG-CB 4.4Å
123L55.6Low69.9Low141 Ų14171.6 Ų71.674%0.73838%0.378SS*.  trans-56.8140.4173.2-88.5107.2000109.5I125L123-I125 WeakPolarHBondContact O-CG1 3.38Å; L123-I125 PolarHBondContact O-N 2.67Å
124G60.5Low70.6Confident34 Ų3469.3 Ų69.335%0.35137%0.367SS..  trans-60.7129.216900000108.9G126G124-G126 VanDerWaalsContact C-N 3.35Å
125I67Low71.6Confident30 Ų3066.2 Ų66.215%0.15436%0.356CS..  trans-96.22.8-177-58.6-160000111.3F82 A83 L85 I110 L123 R190F82-I125 WeakPolarHBondContact CA-O 3.48Å; A83-I125 HydrophobicContact CB-CG2 4.18Å; A83-I125 PolarHBondContact N-O 2.67Å; L85-I125 HydrophobicContact CD1-CG2 4.32Å; L85-I125 HydrophobicContact CD2-CD1 3.95Å; L85-I125 HydrophobicContact CD2-CG2 3.73Å; L85-I125 HydrophobicContact CG-CG2 4.29Å; I110-I125 HydrophobicContact CB-CD1 4.17Å; I110-I125 HydrophobicContact CD1-CD1 3.41Å; I110-I125 VanDerWaalsContact CD1-CD1 3.41Å; I110-I125 HydrophobicContact CG1-CD1 4.01Å; I110-I125 HydrophobicContact CG2-CD1 3.33Å; I110-I125 HydrophobicContact CG2-CG1 4.02Å; L123-I125 WeakPolarHBondContact O-CG1 3.38Å; L123-I125 PolarHBondContact O-N 2.67Å; I125-R190 PolarHBondContact O-NH2 3.12Å
126G67.7Low72.6Confident9 Ų961.3 Ų61.39%0.09333%0.329CS..  trans65.398.8-168.500000110.1M81 F82 G124 L128 R190M81-G126 PolarHBondContact O-N 3.39Å; F82-G126 WeakPolarHBondContact CD1-O 3.45Å; F82-G126 VanDerWaalsContact CE1-O 3.26Å; F82-G126 WeakPolarHBondContact CE1-O 3.32Å; G124-G126 VanDerWaalsContact C-N 3.35Å; G126-L128 PolarHBondContact O-N 2.88Å; G126-R190 PolarHBondContact O-NH2 3.05Å
127A75.5Confident73.5Confident50 Ų5051.9 Ų51.941%0.41329%0.294SS..  trans-69.2127.5-174.300000111.6N129 D130 F131A127-N129 PolarHBondContact O-N 3.09Å; A127-N129 VanDerWaalsContact O-N 3.12Å; A127-D130 HydrophobicContact CB-CB 3.99Å; A127-D130 PolarHBondContact O-N 3.07Å; A127-F131 PolarHBondContact O-N 2.66Å
128L76.3Confident74.7Confident20 Ų2048.2 Ų48.211%0.10527%0.272CS..THydrogen-bonded Turntrans-61.2-25.2-178.3-73.3172.5000113.2F82 M103 E107 G126 F131 M191 I192F82-L128 HydrophobicContact CE1-CD2 4.1Å; M103-L128 HydrophobicContact CB-CD1 4.25Å; E107-L128 VanDerWaalsContact CD-CG 3.48Å; E107-L128 WeakPolarHBondContact OE1-CD1 3.4Å; E107-L128 WeakPolarHBondContact OE1-CG 2.99Å; E107-L128 VanDerWaalsContact OE2-CB 3.24Å; E107-L128 WeakPolarHBondContact OE2-CB 3.48Å; E107-L128 VanDerWaalsContact OE2-CG 3.31Å; E107-L128 WeakPolarHBondContact OE2-CG 3.36Å; E107-L128 PolarHBondContact OE2-N 2.83Å; G126-L128 PolarHBondContact O-N 2.88Å; L128-F131 WeakPolarHBondContact O-CD1 3.24Å; L128-F131 VanDerWaalsContact O-CE1 3.23Å; L128-F131 WeakPolarHBondContact O-CE1 3.27Å; L128-M191 WeakPolarHBondContact CD2-O 3.46Å; L128-I192 HydrophobicContact CD2-CB 4.15Å; L128-I192 HydrophobicContact CD2-CG2 3.66Å
129N72Confident76.3Confident42 Ų4246.5 Ų46.523%0.22525%0.254CS..THydrogen-bonded Turntrans-90-0-178.4-64.2-87000113.6A127 R356A127-N129 PolarHBondContact O-N 3.09Å; A127-N129 VanDerWaalsContact O-N 3.12Å; N129-R356 VanDerWaalsContact CG-NH2 3.33Å; N129-R356 PolarHBondContact ND2-NH2 2.99Å; N129-R356 PolarHBondContact OD1-NE 2.77Å; N129-R356 VanDerWaalsContact OD1-NE 3.15Å; N129-R356 PolarHBondContact OD1-NH2 3.26Å
130D80.8Confident78.1Confident45 Ų4543.8 Ų43.824%0.24124%0.24CC..THydrogen-bonded Turntrans-131.4-15.8-167.9-168.118.2000114.6A127 L132 K133 S295A127-D130 HydrophobicContact CB-CB 3.99Å; A127-D130 PolarHBondContact O-N 3.07Å; D130-L132 VanDerWaalsContact C-N 3.25Å; D130-L132 PolarHBondContact O-N 3.05Å; D130-L132 VanDerWaalsContact O-N 3.13Å; D130-K133 VanDerWaalsContact CG-CE 3.44Å; D130-K133 WeakPolarHBondContact O-CG 3.42Å; D130-K133 WeakPolarHBondContact OD1-CD 3.43Å; D130-K133 WeakPolarHBondContact OD1-CE 3.45Å; D130-K133 IonicContact OD1-NZ 3.72Å; D130-K133 PolarHBondContact OD1-NZ 2.9Å; D130-K133 WeakPolarHBondContact OD2-CE 3.36Å; D130-K133 IonicContact OD2-NZ 2.72Å; D130-K133 PolarHBondContact OD2-NZ 3.09Å; D130-S295 WeakPolarHBondContact OD1-CA 3.28Å; D130-S295 WeakPolarHBondContact OD1-CB 3.24Å; D130-S295 PolarHBondContact OD1-N 2.89Å; D130-S295 PolarHBondContact OD1-OG 2.88Å; D130-S295 PolarHBondContact OD2-OG 3.43Å
131F89.9Confident80.1Confident25 Ų2541.3 Ų41.311%0.1122%0.218CC..G310 helixtrans-62.5-27.8-170.773.9-82.1000114.7F82 A127 L128 K133 D134 A135 F146 V148 I192 E193F82-F131 HydrophobicContact CE1-CB 4.22Å; F82-F131 HydrophobicContact CE1-CG 4.44Å; F82-F131 HydrophobicContact CE2-CB 4.26Å; F82-F131 HydrophobicContact CE2-CD2 4.33Å; F82-F131 HydrophobicContact CE2-CG 4.29Å; F82-F131 HydrophobicContact CZ-CB 3.51Å; F82-F131 AromaticContact CZ-CD1 3.89Å; F82-F131 HydrophobicContact CZ-CD1 3.89Å; F82-F131 AromaticContact CZ-CD2 3.97Å; F82-F131 HydrophobicContact CZ-CD2 3.97Å; F82-F131 AromaticContact CZ-CG 3.52Å; F82-F131 HydrophobicContact CZ-CG 3.52Å; A127-F131 PolarHBondContact O-N 2.66Å; L128-F131 WeakPolarHBondContact O-CD1 3.24Å; L128-F131 VanDerWaalsContact O-CE1 3.23Å; L128-F131 WeakPolarHBondContact O-CE1 3.27Å; F131-K133 PolarHBondContact O-N 3.33Å; F131-K133 VanDerWaalsContact O-N 3.14Å; F131-D134 PolarHBondContact O-N 2.86Å; F131-D134 VanDerWaalsContact O-N 3.1Å; F131-A135 HydrophobicContact CD2-CB 4.06Å; F131-A135 WeakPolarHBondContact O-CB 3.5Å; F131-A135 PolarHBondContact O-N 2.91Å; F131-F146 AromaticContact CE2-CE2 3.84Å; F131-F146 HydrophobicContact CE2-CE2 3.84Å; F131-F146 AromaticContact CE2-CZ 3.88Å; F131-F146 HydrophobicContact CE2-CZ 3.88Å; F131-V148 HydrophobicContact CD2-CG1 3.89Å; F131-V148 HydrophobicContact CE2-CG1 4.19Å; F131-I192 HydrophobicContact CE2-CD1 4.4Å; F131-E193 WeakPolarHBondContact CZ-O 3.34Å
132L91Very high82.4Confident11 Ų1131.5 Ų31.56%0.05818%0.182CC..G310 helixtrans-60.7-26.7-173.3-68.8177.8000114.8D130 D134 A135 F146 P195 L354D130-L132 VanDerWaalsContact C-N 3.25Å; D130-L132 PolarHBondContact O-N 3.05Å; D130-L132 VanDerWaalsContact O-N 3.13Å; L132-D134 PolarHBondContact O-N 3.25Å; L132-A135 PolarHBondContact O-N 3.4Å; L132-F146 HydrophobicContact CD2-CE2 4.11Å; L132-P195 HydrophobicContact CD2-CG 3.44Å; L132-P195 VanDerWaalsContact CD2-CG 3.44Å; L132-L354 HydrophobicContact CD1-CD1 3.28Å
133K89Confident84.4Confident25 Ų2535.2 Ų35.211%0.10920%0.195CC..G310 helixtrans-64.3-26.2178.572.5-171.6174.6-172.40113.5D130 F131 R234 V293 D294D130-K133 VanDerWaalsContact CG-CE 3.44Å; D130-K133 WeakPolarHBondContact O-CG 3.42Å; D130-K133 WeakPolarHBondContact OD1-CD 3.43Å; D130-K133 WeakPolarHBondContact OD1-CE 3.45Å; D130-K133 IonicContact OD1-NZ 3.72Å; D130-K133 PolarHBondContact OD1-NZ 2.9Å; D130-K133 WeakPolarHBondContact OD2-CE 3.36Å; D130-K133 IonicContact OD2-NZ 2.72Å; D130-K133 PolarHBondContact OD2-NZ 3.09Å; F131-K133 PolarHBondContact O-N 3.33Å; F131-K133 VanDerWaalsContact O-N 3.14Å; K133-R234 WeakPolarHBondContact O-CG 3.48Å; K133-V293 VanDerWaalsContact CB-O 3.27Å; K133-V293 WeakPolarHBondContact CB-O 3.37Å; K133-D294 WeakPolarHBondContact CD-OD1 3.22Å; K133-D294 WeakPolarHBondContact CE-OD1 3.49Å; K133-D294 IonicContact NZ-OD1 3.89Å; K133-D294 PolarHBondContact NZ-OD1 2.95Å
134D90.9Very high86.4Confident39 Ų3928.5 Ų28.521%0.20916%0.161CC..G310 helixtrans-1154.5-176.9-62-49.1000111.4R76 F131 L132 R234R76-D134 IonicContact NE-OD1 3.79Å; F131-D134 PolarHBondContact O-N 2.86Å; F131-D134 VanDerWaalsContact O-N 3.1Å; L132-D134 PolarHBondContact O-N 3.25Å; D134-R234 WeakPolarHBondContact OD1-CG 3.38Å; D134-R234 IonicContact OD1-CZ 3.71Å; D134-R234 IonicContact OD1-NE 3.1Å; D134-R234 PolarHBondContact OD1-NE 3.42Å; D134-R234 IonicContact OD1-NH2 2.83Å; D134-R234 IonicContact OD2-NH2 3.15Å
135A94.5Very high88.2Confident2 Ų228.3 Ų28.32%0.01715%0.149CC..SBendtrans-91.2-5-17300000114.6F131 L132 F146 K147 V148F131-A135 HydrophobicContact CD2-CB 4.06Å; F131-A135 WeakPolarHBondContact O-CB 3.5Å; F131-A135 PolarHBondContact O-N 2.91Å; L132-A135 PolarHBondContact O-N 3.4Å; A135-F146 HydrophobicContact CB-CD2 3.92Å; A135-F146 HydrophobicContact CB-CE2 3.71Å; A135-F146 CarbonylContact O-C 3.54Å; A135-F146 VanDerWaalsContact O-CA 3.27Å; A135-F146 WeakPolarHBondContact O-CA 2.9Å; A135-K147 WeakPolarHBondContact CA-O 3.33Å; A135-K147 PolarHBondContact O-N 3.2Å; A135-V148 HydrophobicContact CB-CG1 4.29Å
136Y96.6Very high89.7Confident4 Ų426.9 Ų26.92%0.01614%0.142CC..EExtended strand (participates in β ladder)trans-113.1128.3179-62.7-67.4000111.3Y145 F146 P195 T197 V219 F229 L235 D334 P335 L336Y136-Y145 WeakPolarHBondContact CA-O 3.47Å; Y136-F146 HydrophobicContact CD1-CB 4.27Å; Y136-F146 HydrophobicContact CD1-CD2 4.44Å; Y136-F146 HydrophobicContact CE1-CB 4.06Å; Y136-F146 AromaticContact CE1-CD2 3.92Å; Y136-F146 HydrophobicContact CE1-CD2 3.92Å; Y136-P195 VanDerWaalsContact OH-CB 3.31Å; Y136-P195 WeakPolarHBondContact OH-CB 3.35Å; Y136-P195 WeakPolarHBondContact OH-CG 3.49Å; Y136-T197 PolarHBondContact OH-OG1 2.63Å; Y136-T197 VanDerWaalsContact OH-OG1 3.14Å; Y136-V219 HydrophobicContact CD1-CG2 4.1Å; Y136-V219 HydrophobicContact CE1-CG2 4.21Å; Y136-F229 WeakPolarHBondContact O-CE1 3.33Å; Y136-L235 HydrophobicContact CD2-CD2 3.79Å; Y136-L235 HydrophobicContact CE2-CD2 4.48Å; Y136-L235 HydrophobicContact CG-CD2 4.1Å; Y136-D334 WeakPolarHBondContact CE2-OD1 3.2Å; Y136-D334 VanDerWaalsContact CZ-OD1 3.25Å; Y136-D334 PolarHBondContact OH-OD1 2.83Å; Y136-D334 PolarHBondContact OH-OD2 3.41Å; Y136-P335 HydrophobicContact CD2-CG 4.02Å; Y136-P335 HydrophobicContact CE2-CG 3.92Å; Y136-L336 HydrophobicContact CD1-CD1 3.62Å; Y136-L336 HydrophobicContact CD1-CG 4.32Å; Y136-L336 HydrophobicContact CD2-CD1 4.45Å; Y136-L336 HydrophobicContact CD2-CG 4.34Å; Y136-L336 HydrophobicContact CE1-CD1 3.28Å; Y136-L336 HydrophobicContact CE1-CG 4.14Å; Y136-L336 HydrophobicContact CE2-CD1 4.14Å; Y136-L336 HydrophobicContact CE2-CG 4.13Å; Y136-L336 HydrophobicContact CG-CD1 4.19Å; Y136-L336 HydrophobicContact CG-CG 4.4Å
137E96.1Very high91.1Very high7 Ų727 Ų273%0.03314%0.14CC..EExtended strand (participates in β ladder)trans-155.6167.7-179.558.2170.1-134.500112.9R27 W62 G139 Y145 K147R27-E137 IonicContact CZ-OE1 2.72Å; R27-E137 IonicContact CZ-OE2 3.49Å; R27-E137 VanDerWaalsContact CZ-OE2 3.28Å; R27-E137 IonicContact NH1-OE1 3.6Å; R27-E137 PolarHBondContact NH1-OE1 2.89Å; R27-E137 IonicContact NH1-OE2 3.59Å; R27-E137 PolarHBondContact NH1-OE2 2.87Å; R27-E137 IonicContact NH2-OE2 2.81Å; R27-E137 PolarHBondContact NH2-OE2 3.43Å; W62-E137 HydrophobicContact CZ2-CB 3.87Å; E137-G139 PolarHBondContact O-N 3.25Å; E137-Y145 PolarHBondContact N-O 2.95Å; E137-Y145 PolarHBondContact O-N 2.85Å; E137-K147 HydrophobicContact CG-CB 4.21Å; E137-K147 HydrophobicContact CG-CD 3.91Å; E137-K147 HydrophobicContact CG-CG 3.83Å; E137-K147 WeakPolarHBondContact OE1-CD 3.37Å; E137-K147 WeakPolarHBondContact OE1-CE 3.36Å; E137-K147 IonicContact OE1-NZ 3.41Å; E137-K147 PolarHBondContact OE1-NZ 3.48Å
138V96.4Very high92.1Very high0 Ų025 Ų250%012%0.122CC..EExtended strand (participates in β ladder)trans-73.3124.2176.7-174.30000109.5L34 W55 I59 W62 K143 F229L34-V138 HydrophobicContact CD1-CB 4.38Å; L34-V138 HydrophobicContact CD1-CG1 3.94Å; L34-V138 HydrophobicContact CD2-CG1 4.08Å; W55-V138 HydrophobicContact CH2-CG2 4Å; W55-V138 HydrophobicContact CZ2-CG2 4.05Å; I59-V138 HydrophobicContact CD1-CG1 4.33Å; I59-V138 HydrophobicContact CG1-CG1 4.03Å; I59-V138 HydrophobicContact CG1-CG2 4.21Å; I59-V138 HydrophobicContact CG2-CG1 4.46Å; W62-V138 HydrophobicContact CD2-CB 4.41Å; W62-V138 HydrophobicContact CD2-CG2 4.09Å; W62-V138 HydrophobicContact CE3-CB 3.94Å; W62-V138 HydrophobicContact CE3-CG2 3.99Å; W62-V138 HydrophobicContact CG-CG2 4.48Å; W62-V138 HydrophobicContact CH2-CB 4.15Å; W62-V138 HydrophobicContact CZ3-CB 3.81Å; W62-V138 HydrophobicContact CZ3-CG2 4.37Å; V138-K143 WeakPolarHBondContact CA-O 3Å; V138-F229 HydrophobicContact CG2-CE2 3.8Å; V138-F229 HydrophobicContact CG2-CZ 4.14Å
139G95.7Very high93.1Very high1 Ų124.9 Ų24.91%0.0112%0.121CC..  trans-78.1169.4173.500000112.3E137 D141 G142 K143E137-G139 PolarHBondContact O-N 3.25Å; G139-D141 PolarHBondContact O-N 2.82Å; G139-D141 VanDerWaalsContact O-N 3.14Å; G139-G142 PolarHBondContact O-N 3.38Å; G139-K143 PolarHBondContact N-O 2.96Å
140E93.9Very high94.3Very high72 Ų7223 Ų2334%0.33611%0.111SC..THydrogen-bonded Turntrans-54.6-36.1-179.9-70.5176.6-175.100112.7H26 M30 R37 G142H26-E140 IonicContact CE1-OE1 2.9Å; H26-E140 PolarHBondContact CE1-OE1 2.76Å; M30-E140 HydrophobicContact CB-CG 4.17Å; M30-E140 HydrophobicContact CG-CG 3.72Å; R37-E140 PolarHBondContact NE-O 3.43Å; R37-E140 PolarHBondContact NH1-O 3.45Å; R37-E140 PolarHBondContact NH2-O 3.13Å; E140-G142 PolarHBondContact O-N 3.4Å
141D93.4Very high95Very high63 Ų6324 Ų2434%0.33712%0.116SC..THydrogen-bonded Turntrans-75.80.5179.667.90.9000114.7G139 K143 Y145G139-D141 PolarHBondContact O-N 2.82Å; G139-D141 VanDerWaalsContact O-N 3.14Å; D141-K143 VanDerWaalsContact C-N 3.33Å; D141-K143 WeakPolarHBondContact OD1-CB 3.46Å; D141-K143 PolarHBondContact OD1-N 3.23Å; D141-K143 WeakPolarHBondContact OD2-CD 3.43Å; D141-Y145 WeakPolarHBondContact OD1-CE2 3.17Å; D141-Y145 PolarHBondContact OD2-OH 2.88Å
142G94.1Very high95.4Very high6 Ų622.8 Ų22.86%0.06211%0.111CC..SBendtrans79.99-177.500000114.3W55 I59 G139 E140W55-G142 PolarHBondContact NE1-O 2.85Å; I59-G142 WeakPolarHBondContact CD1-O 3.44Å; G139-G142 PolarHBondContact O-N 3.38Å; E140-G142 PolarHBondContact O-N 3.4Å
143K95.7Very high95.5Very high113 Ų11329.9 Ų29.949%0.49114%0.142SC..SBendtrans-95.2167173.1-59.8178.6-173.3168.70111V138 G139 D141 Y145 Y224V138-K143 WeakPolarHBondContact CA-O 3Å; G139-K143 PolarHBondContact N-O 2.96Å; D141-K143 VanDerWaalsContact C-N 3.33Å; D141-K143 WeakPolarHBondContact OD1-CB 3.46Å; D141-K143 PolarHBondContact OD1-N 3.23Å; D141-K143 WeakPolarHBondContact OD2-CD 3.43Å; K143-Y145 HydrophobicContact CB-CD2 4.49Å; K143-Y145 HydrophobicContact CB-CE2 4.03Å; K143-Y145 WeakPolarHBondContact O-CD2 3.15Å; K143-Y224 WeakPolarHBondContact CA-OH 3.23Å; K143-Y224 WeakPolarHBondContact CB-OH 3.4Å
144L97.8Very high95.8Very high1 Ų130.9 Ų30.91%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-79131.6174.1-167.572.6000111.4W55 V219 P222 Y224 I227 F229 L235 L336W55-L144 HydrophobicContact CH2-CD1 4.41Å; L144-V219 HydrophobicContact CB-CB 4.36Å; L144-V219 HydrophobicContact CB-CG2 4.29Å; L144-V219 HydrophobicContact CD2-CB 4.32Å; L144-V219 HydrophobicContact CD2-CG1 4.37Å; L144-V219 HydrophobicContact CD2-CG2 3.93Å; L144-V219 HydrophobicContact CG-CB 4.46Å; L144-V219 HydrophobicContact CG-CG2 3.93Å; L144-V219 PolarHBondContact O-N 3.16Å; L144-P222 HydrophobicContact CB-CB 4.48Å; L144-P222 HydrophobicContact CD2-CB 4.38Å; L144-Y224 HydrophobicContact CB-CE1 4.14Å; L144-Y224 PolarHBondContact N-OH 2.91Å; L144-I227 HydrophobicContact CD2-CD1 4.05Å; L144-F229 HydrophobicContact CD1-CZ 3.72Å; L144-L235 HydrophobicContact CD1-CD1 4.23Å; L144-L235 HydrophobicContact CD2-CD1 4.18Å; L144-L336 HydrophobicContact CD2-CD1 4.09Å; L144-L336 HydrophobicContact CD2-CD2 3.6Å; L144-L336 HydrophobicContact CD2-CG 4.35Å
145Y98.2Very high95.9Very high29 Ų2930.4 Ų30.411%0.11416%0.155CC..EExtended strand (participates in β ladder)trans-122.6147.2177.3-80.2-110.8000110.7Y136 E137 D141 K143 E216 A217 P218Y136-Y145 WeakPolarHBondContact CA-O 3.47Å; E137-Y145 PolarHBondContact N-O 2.95Å; E137-Y145 PolarHBondContact O-N 2.85Å; D141-Y145 WeakPolarHBondContact OD1-CE2 3.17Å; D141-Y145 PolarHBondContact OD2-OH 2.88Å; K143-Y145 HydrophobicContact CB-CD2 4.49Å; K143-Y145 HydrophobicContact CB-CE2 4.03Å; K143-Y145 WeakPolarHBondContact O-CD2 3.15Å; Y145-E216 HydrophobicContact CD1-CB 4.28Å; Y145-E216 HydrophobicContact CD1-CG 4.5Å; Y145-A217 CarbonylContact C-O 3.49Å; Y145-A217 WeakPolarHBondContact CA-O 3.31Å; Y145-A217 VanDerWaalsContact CD1-C 3.41Å; Y145-A217 WeakPolarHBondContact CD1-O 3.24Å; Y145-P218 HydrophobicContact CD1-CB 4.39Å; Y145-P218 HydrophobicContact CE1-CB 4Å; Y145-P218 HydrophobicContact CE1-CG 4.39Å; Y145-P218 HydrophobicContact CE2-CB 4.39Å
146F97.7Very high96Very high0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-82.7127.3157.3172.2-97.8000108.7F131 L132 A135 Y136 V148 I192 L194 P195 I198 E216 A217F131-F146 AromaticContact CE2-CE2 3.84Å; F131-F146 HydrophobicContact CE2-CE2 3.84Å; F131-F146 AromaticContact CE2-CZ 3.88Å; F131-F146 HydrophobicContact CE2-CZ 3.88Å; L132-F146 HydrophobicContact CD2-CE2 4.11Å; A135-F146 HydrophobicContact CB-CD2 3.92Å; A135-F146 HydrophobicContact CB-CE2 3.71Å; A135-F146 CarbonylContact O-C 3.54Å; A135-F146 VanDerWaalsContact O-CA 3.27Å; A135-F146 WeakPolarHBondContact O-CA 2.9Å; Y136-F146 HydrophobicContact CD1-CB 4.27Å; Y136-F146 HydrophobicContact CD1-CD2 4.44Å; Y136-F146 HydrophobicContact CE1-CB 4.06Å; Y136-F146 AromaticContact CE1-CD2 3.92Å; Y136-F146 HydrophobicContact CE1-CD2 3.92Å; F146-V148 HydrophobicContact CE1-CG1 3.91Å; F146-V148 HydrophobicContact CE1-CG2 3.94Å; F146-V148 HydrophobicContact CE2-CG1 4.05Å; F146-V148 HydrophobicContact CZ-CG1 3.47Å; F146-V148 VanDerWaalsContact CZ-CG1 3.47Å; F146-V148 HydrophobicContact CZ-CG2 4.28Å; F146-I192 HydrophobicContact CZ-CD1 4.3Å; F146-L194 HydrophobicContact CE1-CD2 3.85Å; F146-L194 HydrophobicContact CZ-CD2 4.17Å; F146-P195 HydrophobicContact CD2-CG 4.07Å; F146-P195 HydrophobicContact CE2-CG 3.83Å; F146-I198 HydrophobicContact CB-CB 4.29Å; F146-I198 HydrophobicContact CB-CG2 3.41Å; F146-I198 VanDerWaalsContact CB-CG2 3.41Å; F146-I198 HydrophobicContact CD1-CD1 3.95Å; F146-I198 HydrophobicContact CD1-CG2 4.31Å; F146-I198 HydrophobicContact CD2-CG2 4.16Å; F146-I198 HydrophobicContact CE1-CD1 4.3Å; F146-I198 HydrophobicContact CG-CD1 4.4Å; F146-I198 HydrophobicContact CG-CG2 3.72Å; F146-E216 CarbonylContact O-C 3.57Å; F146-E216 WeakPolarHBondContact O-CA 2.95Å; F146-A217 PolarHBondContact N-O 3.36Å; F146-A217 PolarHBondContact O-N 3.35Å
147K97.4Very high95.9Very high13 Ų1333.9 Ų33.96%0.05718%0.177CC..EExtended strand (participates in β ladder)trans-136.1134.1178.1-54-152-158.9156.80111.9M30 A135 E137 L215 E216M30-K147 PolarHBondContact SD-NZ 3.26Å; A135-K147 WeakPolarHBondContact CA-O 3.33Å; A135-K147 PolarHBondContact O-N 3.2Å; E137-K147 HydrophobicContact CG-CB 4.21Å; E137-K147 HydrophobicContact CG-CD 3.91Å; E137-K147 HydrophobicContact CG-CG 3.83Å; E137-K147 WeakPolarHBondContact OE1-CD 3.37Å; E137-K147 WeakPolarHBondContact OE1-CE 3.36Å; E137-K147 IonicContact OE1-NZ 3.41Å; E137-K147 PolarHBondContact OE1-NZ 3.48Å; K147-L215 VanDerWaalsContact CA-O 3.31Å; K147-L215 WeakPolarHBondContact CA-O 3.23Å; K147-E216 HydrophobicContact CD-CB 3.94Å; K147-E216 WeakPolarHBondContact CE-OE2 3.2Å; K147-E216 HydrophobicContact CG-CB 3.8Å; K147-E216 IonicContact NZ-OE2 3.43Å
148V96.9Very high95.9Very high6 Ų640.8 Ų40.84%0.03621%0.21CC..EExtended strand (participates in β ladder)trans-136.6152.8174.6-69.70000110F82 F131 A135 F146 F150 L169 I192 L215F82-V148 HydrophobicContact CD2-CB 4.47Å; F82-V148 HydrophobicContact CE2-CB 4.07Å; F82-V148 HydrophobicContact CE2-CG1 4.04Å; F131-V148 HydrophobicContact CD2-CG1 3.89Å; F131-V148 HydrophobicContact CE2-CG1 4.19Å; A135-V148 HydrophobicContact CB-CG1 4.29Å; F146-V148 HydrophobicContact CE1-CG1 3.91Å; F146-V148 HydrophobicContact CE1-CG2 3.94Å; F146-V148 HydrophobicContact CE2-CG1 4.05Å; F146-V148 HydrophobicContact CZ-CG1 3.47Å; F146-V148 VanDerWaalsContact CZ-CG1 3.47Å; F146-V148 HydrophobicContact CZ-CG2 4.28Å; V148-F150 HydrophobicContact CB-CE2 4.45Å; V148-F150 HydrophobicContact CG2-CE2 3.91Å; V148-L169 HydrophobicContact CG2-CD2 4.38Å; V148-I192 HydrophobicContact CB-CD1 4.32Å; V148-I192 HydrophobicContact CG1-CD1 4.09Å; V148-I192 HydrophobicContact CG2-CD1 3.81Å; V148-L215 HydrophobicContact CG2-CB 4.03Å; V148-L215 PolarHBondContact N-O 3.47Å; V148-L215 PolarHBondContact O-N 3.06Å
149H97.3Very high95.8Very high19 Ų1943.2 Ų43.29%0.08822%0.223CC..EExtended strand (participates in β ladder)trans-129.3139.7-173.4-49.3108000109.5F23 M81 F82 V212 L213F23-H149 AromaticContact CE2-CD2 3.6Å; F23-H149 AromaticContact CE2-NE2 3.6Å; F23-H149 AromaticContact CZ-NE2 3.93Å; M81-H149 CarbonylContact C-O 3.59Å; M81-H149 WeakPolarHBondContact CA-O 3.38Å; M81-H149 HydrophobicContact CE-CB 4.32Å; M81-H149 HydrophobicContact CG-CB 3.7Å; F82-H149 PolarHBondContact N-O 3.36Å; H149-V212 HydrophobicContact CB-CG1 4.04Å; H149-L213 CarbonylContact C-O 3.12Å; H149-L213 WeakPolarHBondContact CA-O 3.24Å
150F97.3Very high95.9Very high1 Ų143.9 Ų43.90%0.00423%0.226CC..EExtended strand (participates in β ladder)trans-119.5137.8175-58.6-111.4000109.2F82 L84 V148 A152 L169 V171 R190 I192 L213 L215F82-F150 HydrophobicContact CB-CD1 3.48Å; F82-F150 VanDerWaalsContact CB-CD1 3.48Å; F82-F150 HydrophobicContact CB-CE1 3.73Å; F82-F150 HydrophobicContact CB-CG 4.03Å; F82-F150 HydrophobicContact CB-CZ 4.45Å; F82-F150 HydrophobicContact CD2-CD1 4.33Å; F82-F150 AromaticContact CD2-CE1 3.96Å; F82-F150 HydrophobicContact CD2-CE1 3.96Å; F82-F150 HydrophobicContact CD2-CE2 4.14Å; F82-F150 AromaticContact CD2-CZ 3.84Å; F82-F150 HydrophobicContact CD2-CZ 3.84Å; F82-F150 HydrophobicContact CG-CD1 4.27Å; F82-F150 HydrophobicContact CG-CE1 4.07Å; F82-F150 HydrophobicContact CG-CZ 4.41Å; F82-F150 CarbonylContact O-C 3.55Å; F82-F150 WeakPolarHBondContact O-CA 3.27Å; L84-F150 HydrophobicContact CD2-CD1 3.99Å; V148-F150 HydrophobicContact CB-CE2 4.45Å; V148-F150 HydrophobicContact CG2-CE2 3.91Å; F150-A152 PolarHBondContact O-N 3.37Å; F150-L169 HydrophobicContact CE2-CD2 3.99Å; F150-L169 HydrophobicContact CZ-CD2 3.9Å; F150-V171 HydrophobicContact CD1-CB 4.22Å; F150-V171 HydrophobicContact CD1-CG2 3.94Å; F150-V171 HydrophobicContact CD2-CG2 4.22Å; F150-V171 HydrophobicContact CE1-CB 4.19Å; F150-V171 HydrophobicContact CE1-CG2 3.68Å; F150-V171 HydrophobicContact CE2-CG2 4.01Å; F150-V171 HydrophobicContact CG-CG2 4.23Å; F150-V171 HydrophobicContact CZ-CG2 3.73Å; F150-R190 HydrophobicContact CD1-CB 4Å; F150-R190 HydrophobicContact CD1-CG 4Å; F150-R190 HydrophobicContact CE1-CB 3.81Å; F150-R190 HydrophobicContact CE1-CG 3.64Å; F150-I192 HydrophobicContact CE1-CG2 4.36Å; F150-I192 HydrophobicContact CZ-CD1 4.26Å; F150-I192 HydrophobicContact CZ-CG2 4.14Å; F150-L213 HydrophobicContact CB-CB 4.18Å; F150-L213 PolarHBondContact N-O 3Å; F150-L213 PolarHBondContact O-N 3.39Å; F150-L215 HydrophobicContact CD2-CD1 3.53Å; F150-L215 HydrophobicContact CE2-CD1 3.52Å
151D96.1Very high96.1Very high66 Ų6644.7 Ų44.735%0.35323%0.228SC..EExtended strand (participates in β ladder)trans-75.4103.2167.5-174.3-6.7000108.2F82 K153F82-D151 PolarHBondContact O-N 3.36Å; D151-K153 VanDerWaalsContact OD1-CB 3.23Å; D151-K153 WeakPolarHBondContact OD1-CB 3.16Å; D151-K153 PolarHBondContact OD1-N 2.89Å
152A96.7Very high96.2Very high0 Ų041.8 Ų41.80%021%0.213CC..  trans-113.626.4178.800000110.8F150 G154 F155 I160 L207 G211 L213F150-A152 PolarHBondContact O-N 3.37Å; A152-G154 PolarHBondContact O-N 2.89Å; A152-F155 WeakPolarHBondContact O-CD2 3.49Å; A152-F155 PolarHBondContact O-N 3.45Å; A152-I160 HydrophobicContact CB-CD1 3.91Å; A152-L207 HydrophobicContact CB-CD1 4.07Å; A152-G211 CarbonylContact C-O 3.52Å; A152-G211 VanDerWaalsContact CA-O 3.28Å; A152-G211 WeakPolarHBondContact CA-O 3.41Å; A152-G211 PolarHBondContact N-O 3.38Å; A152-L213 HydrophobicContact CB-CB 3.96Å
153K95Very high96.3Very high160 Ų16043.1 Ų43.170%0.69622%0.218SC*.THydrogen-bonded Turntrans-58.8127-178.4-173.8175.2-178.3175.50111.6D151 G211D151-K153 VanDerWaalsContact OD1-CB 3.23Å; D151-K153 WeakPolarHBondContact OD1-CB 3.16Å; D151-K153 PolarHBondContact OD1-N 2.89Å; K153-G211 PolarHBondContact N-O 3.45Å; K153-G211 VanDerWaalsContact N-O 3.14Å
154G93.3Very high96.2Very high47 Ų4737.9 Ų37.949%0.48520%0.196SC..THydrogen-bonded Turntrans84.714.5177.300000115A152 K175A152-G154 PolarHBondContact O-N 2.89Å; G154-K175 PolarHBondContact O-NZ 2.98Å
155F94.8Very high95.8Very high28 Ų2839 Ų3912%0.12320%0.203CC..  trans-111.2146165.1-62.7-81.1000109.5L84 A152 D159 I160 A173 K175 F188L84-F155 HydrophobicContact CD1-CD2 4.4Å; L84-F155 HydrophobicContact CD1-CE2 4.16Å; A152-F155 WeakPolarHBondContact O-CD2 3.49Å; A152-F155 PolarHBondContact O-N 3.45Å; F155-D159 HydrophobicContact CB-CB 4.13Å; F155-D159 HydrophobicContact CD1-CB 3.96Å; F155-I160 HydrophobicContact CB-CD1 3.83Å; F155-I160 HydrophobicContact CB-CG1 3.88Å; F155-I160 HydrophobicContact CG-CG1 4.47Å; F155-A173 HydrophobicContact CD1-CB 3.77Å; F155-A173 HydrophobicContact CE1-CB 3.63Å; F155-A173 HydrophobicContact CE2-CB 4.44Å; F155-A173 HydrophobicContact CG-CB 4.22Å; F155-A173 HydrophobicContact CZ-CB 4Å; F155-K175 HydrophobicContact CE1-CB 3.91Å; F155-K175 HydrophobicContact CE1-CD 4.38Å; F155-F188 AromaticContact CE1-CD2 3.95Å; F155-F188 HydrophobicContact CE1-CD2 3.95Å; F155-F188 HydrophobicContact CE1-CE2 4.3Å; F155-F188 HydrophobicContact CZ-CB 4.4Å; F155-F188 AromaticContact CZ-CD2 3.56Å; F155-F188 HydrophobicContact CZ-CD2 3.56Å; F155-F188 AromaticContact CZ-CE2 3.92Å; F155-F188 HydrophobicContact CZ-CE2 3.92Å; F155-F188 AromaticContact CZ-CG 3.95Å; F155-F188 HydrophobicContact CZ-CG 3.95Å
156T94.7Very high95.4Very high62 Ų6241.5 Ų41.538%0.3822%0.216SC..  trans-93.4167.6167.473.70000110.2E158 D159T156-E158 WeakPolarHBondContact CB-OE2 3.44Å; T156-E158 PolarHBondContact O-N 3.28Å; T156-E158 PolarHBondContact OG1-OE2 2.89Å; T156-D159 PolarHBondContact N-OD2 3.37Å; T156-D159 WeakPolarHBondContact O-CB 3.19Å; T156-D159 PolarHBondContact O-N 2.89Å; T156-D159 PolarHBondContact OG1-OD2 2.65Å
157P95.8Very high95Very high18 Ų1844.5 Ų44.512%0.11723%0.23CC..G310 helixtrans-54.2-34.4175.3-25.334.5000113.5I16 Q18 D159 I160 L207I16-P157 HydrophobicContact CB-CB 4.32Å; I16-P157 HydrophobicContact CG2-CB 4.14Å; Q18-P157 HydrophobicContact CB-CG 3.95Å; Q18-P157 HydrophobicContact CG-CG 4.2Å; P157-D159 VanDerWaalsContact C-N 3.28Å; P157-D159 PolarHBondContact O-N 3.28Å; P157-I160 PolarHBondContact O-N 3.33Å; P157-I160 VanDerWaalsContact O-O 3.13Å; P157-L207 HydrophobicContact CG-CD2 3.89Å
158E95.3Very high94.6Very high152 Ų15246.1 Ų46.171%0.7124%0.235SC*.G310 helixtrans-70.9-23.3-179.9-5774.1-158.700113.1T156 I160T156-E158 WeakPolarHBondContact CB-OE2 3.44Å; T156-E158 PolarHBondContact O-N 3.28Å; T156-E158 PolarHBondContact OG1-OE2 2.89Å; E158-I160 VanDerWaalsContact C-N 3.28Å
159D95.5Very high94.5Very high51 Ų5145.9 Ų45.927%0.27323%0.234SC..G310 helixtrans-78.2-14.6176.3-63.4-37.6000112.2F155 T156 P157 A173 K174F155-D159 HydrophobicContact CB-CB 4.13Å; F155-D159 HydrophobicContact CD1-CB 3.96Å; T156-D159 PolarHBondContact N-OD2 3.37Å; T156-D159 WeakPolarHBondContact O-CB 3.19Å; T156-D159 PolarHBondContact O-N 2.89Å; T156-D159 PolarHBondContact OG1-OD2 2.65Å; P157-D159 VanDerWaalsContact C-N 3.28Å; P157-D159 PolarHBondContact O-N 3.28Å; D159-A173 CarbonylContact O-C 3.53Å; D159-A173 WeakPolarHBondContact O-CA 3.41Å; D159-K174 PolarHBondContact O-N 3.05Å
160I97.3Very high94.3Very high14 Ų1446 Ų467%0.07224%0.236CC..EExtended strand (participates in β ladder)trans-116.3131.5-168.3-54.4170.7000110.9I16 A152 F155 P157 E158 V162 V171 H172 A173 L207 L213I16-I160 HydrophobicContact CD1-CB 3.56Å; I16-I160 HydrophobicContact CD1-CG2 3.58Å; I16-I160 WeakPolarHBondContact CD1-O 3.34Å; A152-I160 HydrophobicContact CB-CD1 3.91Å; F155-I160 HydrophobicContact CB-CD1 3.83Å; F155-I160 HydrophobicContact CB-CG1 3.88Å; F155-I160 HydrophobicContact CG-CG1 4.47Å; P157-I160 PolarHBondContact O-N 3.33Å; P157-I160 VanDerWaalsContact O-O 3.13Å; E158-I160 VanDerWaalsContact C-N 3.28Å; I160-V162 HydrophobicContact CG2-CG2 4.11Å; I160-V171 HydrophobicContact CG2-CG1 3.89Å; I160-H172 CarbonylContact C-O 3.53Å; I160-H172 WeakPolarHBondContact CA-O 3.48Å; I160-A173 HydrophobicContact CG1-CB 4.08Å; I160-L207 HydrophobicContact CD1-CD2 4.38Å; I160-L213 HydrophobicContact CD1-CD1 4.44Å; I160-L213 HydrophobicContact CG2-CD2 4.21Å
161K96.9Very high94.2Very high89 Ų8946 Ų4639%0.38724%0.236SC..EExtended strand (participates in β ladder)trans-112.2128.6167.2-166.3178.2-165.8-118.30110.3D13 D163 H172D13-K161 IonicContact OD1-NZ 3.23Å; D13-K161 PolarHBondContact OD1-NZ 3Å; D13-K161 WeakPolarHBondContact OD2-CE 3.49Å; D13-K161 IonicContact OD2-NZ 3.55Å; D13-K161 PolarHBondContact OD2-NZ 2.97Å; K161-D163 VanDerWaalsContact CE-OD1 3.22Å; K161-D163 WeakPolarHBondContact CE-OD1 3.49Å; K161-D163 IonicContact NZ-OD1 3.26Å; K161-D163 PolarHBondContact NZ-OD1 2.88Å; K161-D163 IonicContact NZ-OD2 2.99Å; K161-D163 PolarHBondContact NZ-OD2 3.46Å; K161-H172 PolarHBondContact N-O 2.85Å; K161-H172 PolarHBondContact O-N 3.45Å
162V97.3Very high94.1Very high3 Ų345.2 Ų45.22%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-113.9116.2175-178.50000109I14 I16 I160 L169 T170 V171 L213 L215I14-V162 HydrophobicContact CB-CB 4.2Å; I14-V162 HydrophobicContact CB-CG1 3.92Å; I14-V162 HydrophobicContact CD1-CG1 3.95Å; I14-V162 HydrophobicContact CG1-CG1 4.34Å; I14-V162 PolarHBondContact N-O 3.2Å; I16-V162 HydrophobicContact CD1-CG2 4.02Å; I16-V162 HydrophobicContact CG1-CG2 4.12Å; I160-V162 HydrophobicContact CG2-CG2 4.11Å; V162-L169 HydrophobicContact CG1-CD1 3.63Å; V162-T170 WeakPolarHBondContact CA-O 3.47Å; V162-V171 HydrophobicContact CG2-CG1 4.5Å; V162-V171 HydrophobicContact CG2-CG2 4.42Å; V162-L213 HydrophobicContact CG2-CD2 4.05Å; V162-L215 HydrophobicContact CG1-CD2 3.62Å
163D94.6Very high94.1Very high33 Ų3345.2 Ų45.218%0.17623%0.23CC..EExtended strand (participates in β ladder)trans-118.8133.1179.6-66-25.9000110.1K161 T170K161-D163 VanDerWaalsContact CE-OD1 3.22Å; K161-D163 WeakPolarHBondContact CE-OD1 3.49Å; K161-D163 IonicContact NZ-OD1 3.26Å; K161-D163 PolarHBondContact NZ-OD1 2.88Å; K161-D163 IonicContact NZ-OD2 2.99Å; K161-D163 PolarHBondContact NZ-OD2 3.46Å; D163-T170 PolarHBondContact N-O 3.48Å; D163-T170 PolarHBondContact O-N 2.82Å
164S93.5Very high94Very high4 Ų441.9 Ų41.93%0.02822%0.216CC..EExtended strand (participates in β ladder)trans-124.9139.1177.1-166.60000112.1S11 V12 R168 L194 L203S11-S164 CarbonylContact C-O 3.52Å; S11-S164 WeakPolarHBondContact CA-O 3.24Å; V12-S164 PolarHBondContact N-O 2.94Å; V12-S164 PolarHBondContact O-N 3.23Å; S164-R168 CarbonylContact C-O 3.56Å; S164-R168 WeakPolarHBondContact CA-O 3.14Å; S164-R168 PolarHBondContact OG-O 3.31Å; S164-L194 VanDerWaalsContact OG-CD1 3.29Å; S164-L194 WeakPolarHBondContact OG-CD1 3.34Å; S164-L203 VanDerWaalsContact OG-CD1 3.26Å; S164-L203 WeakPolarHBondContact OG-CD1 3.35Å
165T91.2Very high93.9Very high24 Ų2444 Ų4415%0.14721%0.211CC..  trans-103.8-171.9156.671.60000108.9H167 R168T165-H167 VanDerWaalsContact C-N 3.26Å; T165-H167 PolarHBondContact O-N 2.89Å; T165-H167 PolarHBondContact OG1-N 3.4Å; T165-R168 PolarHBondContact N-O 2.66Å; T165-R168 PolarHBondContact OG1-N 3.2Å
166E88.7Confident93.7Very high81 Ų8146 Ų4638%0.37923%0.226SC..SBendtrans-64.5-29.5173.2-174.6178.4-177.500113
167H88.6Confident93.3Very high63 Ų6345.8 Ų45.829%0.29223%0.227SC..SBendtrans-117.1-6.1-171.4-52.7-41.9000113.9Q9 T165 E193 L194Q9-H167 PolarHBondContact NE2-CD2 3.31Å; Q9-H167 PolarHBondContact NE2-NE2 3.49Å; T165-H167 VanDerWaalsContact C-N 3.26Å; T165-H167 PolarHBondContact O-N 2.89Å; T165-H167 PolarHBondContact OG1-N 3.4Å; H167-E193 CarbonylContact O-C 3.51Å; H167-E193 WeakPolarHBondContact O-CA 3.39Å; H167-L194 PolarHBondContact O-N 3.14Å
168R90.5Very high92.8Very high48 Ų4852.2 Ų52.218%0.18126%0.255CS..EExtended strand (participates in β ladder)trans-143.5138.6-171.6171.4-177.6-167.5156.7-14.4110.7D98 F100 S164 T165 T170 M191 I192D98-R168 IonicContact OD1-NH1 3.51Å; D98-R168 PolarHBondContact OD1-NH1 2.98Å; D98-R168 VanDerWaalsContact OD1-NH1 3.1Å; F100-R168 HydrophobicContact CE2-CB 3.83Å; F100-R168 HydrophobicContact CE2-CG 3.39Å; F100-R168 VanDerWaalsContact CE2-NE 3.29Å; F100-R168 HydrophobicContact CZ-CB 3.91Å; F100-R168 HydrophobicContact CZ-CG 3.38Å; S164-R168 CarbonylContact C-O 3.56Å; S164-R168 WeakPolarHBondContact CA-O 3.14Å; S164-R168 PolarHBondContact OG-O 3.31Å; T165-R168 PolarHBondContact N-O 2.66Å; T165-R168 PolarHBondContact OG1-N 3.2Å; R168-T170 PolarHBondContact NE-OG1 2.97Å; R168-M191 PolarHBondContact NH2-SD 2.69Å; R168-I192 WeakPolarHBondContact CA-O 3.35Å
169L93.7Very high92.4Very high1 Ų147.9 Ų47.91%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-113.1134.9165.3174.973.5000108.9I14 V148 F150 V162 M191 I192 L194 L215I14-L169 HydrophobicContact CD1-CD1 4.15Å; V148-L169 HydrophobicContact CG2-CD2 4.38Å; F150-L169 HydrophobicContact CE2-CD2 3.99Å; F150-L169 HydrophobicContact CZ-CD2 3.9Å; V162-L169 HydrophobicContact CG1-CD1 3.63Å; L169-M191 CarbonylContact O-C 3.48Å; L169-M191 VanDerWaalsContact O-CA 3.27Å; L169-M191 WeakPolarHBondContact O-CA 3.47Å; L169-I192 HydrophobicContact CB-CD1 4.41Å; L169-I192 HydrophobicContact CB-CG1 3.76Å; L169-I192 HydrophobicContact CD2-CD1 3.84Å; L169-I192 HydrophobicContact CD2-CG1 3.96Å; L169-I192 HydrophobicContact CG-CG1 4.35Å; L169-I192 PolarHBondContact N-O 2.99Å; L169-I192 PolarHBondContact O-N 2.79Å; L169-L194 HydrophobicContact CB-CD1 4.11Å; L169-L194 HydrophobicContact CB-CD2 3.87Å; L169-L194 HydrophobicContact CB-CG 4Å; L169-L215 HydrophobicContact CD1-CD2 3.6Å; L169-L215 HydrophobicContact CD2-CD1 4.36Å; L169-L215 HydrophobicContact CD2-CD2 3.59Å; L169-L215 HydrophobicContact CD2-CG 4.38Å; L169-L215 HydrophobicContact CG-CD2 4.18Å
170T93.3Very high91.9Very high22 Ų2254.3 Ų54.314%0.13528%0.277CS..EExtended strand (participates in β ladder)trans-123.3124.3175.8-57.70000109.1V162 D163 R168 M191V162-T170 WeakPolarHBondContact CA-O 3.47Å; D163-T170 PolarHBondContact N-O 3.48Å; D163-T170 PolarHBondContact O-N 2.82Å; R168-T170 PolarHBondContact NE-OG1 2.97Å; T170-M191 HydrophobicContact CG2-CE 3.83Å; T170-M191 HydrophobicContact CG2-CG 3.86Å
171V96Very high91.4Very high0 Ų059.1 Ų59.10%031%0.311CS..EExtended strand (participates in β ladder)trans-110.8110.2171.3-176.60000107.3L84 F150 I160 V162 C189 R190 L213L84-V171 HydrophobicContact CD1-CG1 4.35Å; L84-V171 HydrophobicContact CD2-CB 3.98Å; L84-V171 HydrophobicContact CD2-CG1 3.64Å; F150-V171 HydrophobicContact CD1-CB 4.22Å; F150-V171 HydrophobicContact CD1-CG2 3.94Å; F150-V171 HydrophobicContact CD2-CG2 4.22Å; F150-V171 HydrophobicContact CE1-CB 4.19Å; F150-V171 HydrophobicContact CE1-CG2 3.68Å; F150-V171 HydrophobicContact CE2-CG2 4.01Å; F150-V171 HydrophobicContact CG-CG2 4.23Å; F150-V171 HydrophobicContact CZ-CG2 3.73Å; I160-V171 HydrophobicContact CG2-CG1 3.89Å; V162-V171 HydrophobicContact CG2-CG1 4.5Å; V162-V171 HydrophobicContact CG2-CG2 4.42Å; V171-C189 CarbonylContact O-C 3.57Å; V171-C189 VanDerWaalsContact O-CA 3.26Å; V171-C189 WeakPolarHBondContact O-CA 3.36Å; V171-R190 PolarHBondContact N-O 3.02Å; V171-R190 PolarHBondContact O-N 3.23Å; V171-L213 HydrophobicContact CG1-CD2 3.63Å; V171-L213 HydrophobicContact CG2-CD2 4.2Å
172H94.3Very high90.9Very high49 Ų4958 Ų5823%0.22732%0.315CS..EExtended strand (participates in β ladder)trans-109.3137.1175.6179.4-87000108.9I160 K161 E187 F188I160-H172 CarbonylContact C-O 3.53Å; I160-H172 WeakPolarHBondContact CA-O 3.48Å; K161-H172 PolarHBondContact N-O 2.85Å; K161-H172 PolarHBondContact O-N 3.45Å; H172-E187 IonicContact CE1-OE2 3.73Å; H172-E187 PolarHBondContact CE1-OE2 3.17Å; H172-E187 IonicContact NE2-OE2 2.95Å; H172-E187 PolarHBondContact NE2-OE2 2.95Å; H172-F188 CarbonylContact C-O 3.58Å; H172-F188 WeakPolarHBondContact CA-O 3.32Å
173A95.5Very high90.5Very high0 Ų064.8 Ų64.80%034%0.344CS..EExtended strand (participates in β ladder)trans-132.8141.8175.500000110.6L84 F155 D159 I160 E187 F188L84-A173 HydrophobicContact CD1-CB 3.66Å; F155-A173 HydrophobicContact CD1-CB 3.77Å; F155-A173 HydrophobicContact CE1-CB 3.63Å; F155-A173 HydrophobicContact CE2-CB 4.44Å; F155-A173 HydrophobicContact CG-CB 4.22Å; F155-A173 HydrophobicContact CZ-CB 4Å; D159-A173 CarbonylContact O-C 3.53Å; D159-A173 WeakPolarHBondContact O-CA 3.41Å; I160-A173 HydrophobicContact CG1-CB 4.08Å; A173-E187 CarbonylContact O-C 3.47Å; A173-E187 WeakPolarHBondContact O-CA 3Å; A173-F188 HydrophobicContact CB-CB 4.46Å; A173-F188 PolarHBondContact N-O 3.19Å; A173-F188 PolarHBondContact O-N 3.23Å
174K93.9Very high90.1Very high90 Ų9065.4 Ų65.439%0.39135%0.351SS..EExtended strand (participates in β ladder)trans-125.7120.3179.8-177.5171.3-172.6159.60110.2D159 S185 E187D159-K174 PolarHBondContact O-N 3.05Å; K174-S185 WeakPolarHBondContact CE-OG 3.04Å; K174-E187 HydrophobicContact CB-CG 4.39Å; K174-E187 HydrophobicContact CD-CG 4.41Å; K174-E187 HydrophobicContact CG-CG 4.09Å; K174-E187 IonicContact NZ-OE1 2.77Å
175K91.6Very high89.9Confident91 Ų9167.7 Ų67.740%0.39637%0.367SS..EExtended strand (participates in β ladder)trans-108.2119177.1-168.4158.8-171.8149.80110.7G154 F155 S185 R186 F188G154-K175 PolarHBondContact O-NZ 2.98Å; F155-K175 HydrophobicContact CE1-CB 3.91Å; F155-K175 HydrophobicContact CE1-CD 4.38Å; K175-S185 CarbonylContact O-C 3.51Å; K175-S185 WeakPolarHBondContact O-CA 3.22Å; K175-R186 PolarHBondContact N-O 3.43Å; K175-R186 PolarHBondContact O-N 2.82Å; K175-F188 HydrophobicContact CB-CE2 4.4Å
176V89.5Confident89.8Confident71 Ų7173.8 Ų73.843%0.4339%0.387SS..EExtended strand (participates in β ladder)trans-101.4125172.5-178.60000108.5K183 S184V176-K183 HydrophobicContact CG1-CD 4.28Å; V176-K183 HydrophobicContact CG1-CG 3.97Å; V176-S184 WeakPolarHBondContact CA-O 3.35Å
177S85.5Confident89.9Confident58 Ų5872.8 Ų72.841%0.40638%0.383SS..EExtended strand (participates in β ladder)trans-116.2130172.452.80000108.9K183 S184S177-K183 WeakPolarHBondContact O-CA 3.45Å; S177-S184 PolarHBondContact N-O 2.9Å; S177-S184 PolarHBondContact O-N 2.79Å; S177-S184 PolarHBondContact OG-O 3.27Å; S177-S184 PolarHBondContact OG-OG 3.47Å
178E87Confident90.1Very high152 Ų15271.7 Ų71.771%0.7138%0.377SS*.EExtended strand (participates in β ladder)trans-118.4131.6180-169.6158.7-158.500108.7
179S85.1Confident90.1Very high61 Ų6169.5 Ų69.543%0.42737%0.369SS..EExtended strand (participates in β ladder)trans-129160.9175.160.20000107.8S181 S182S179-S181 PolarHBondContact O-N 3.4Å; S179-S182 PolarHBondContact N-O 3.29Å; S179-S182 PolarHBondContact O-N 3.5Å; S179-S182 VanDerWaalsContact O-O 3.12Å; S179-S182 PolarHBondContact OG-N 2.59Å; S179-S182 PolarHBondContact OG-O 3.35Å; S179-S182 PolarHBondContact OG-OG 3.3Å
180D85.4Confident90Very high187 Ų18769.5 Ų69.5100%137%0.369SS*.THydrogen-bonded Turntrans-51.8-25.7-175-63.1-19.3000114.6
181S87.2Confident89.9Confident115 Ų11569.2 Ų69.280%0.80437%0.366SS*.THydrogen-bonded Turntrans-115.4-7.2-178.266.60000115S179S179-S181 PolarHBondContact O-N 3.4Å
182S87Confident89.7Confident66 Ų6669.2 Ų69.246%0.46237%0.366SS..EExtended strand (participates in β ladder)trans-159.8143.6-174.969.80000113.7S179S179-S182 PolarHBondContact N-O 3.29Å; S179-S182 PolarHBondContact O-N 3.5Å; S179-S182 VanDerWaalsContact O-O 3.12Å; S179-S182 PolarHBondContact OG-N 2.59Å; S179-S182 PolarHBondContact OG-O 3.35Å; S179-S182 PolarHBondContact OG-OG 3.3Å
183K88.3Confident89.4Confident144 Ų14470 Ų7063%0.62637%0.37SS*.EExtended strand (participates in β ladder)trans-109.3124.1167.5-173.5172.3-173.1162.40108V176 S177V176-K183 HydrophobicContact CG1-CD 4.28Å; V176-K183 HydrophobicContact CG1-CG 3.97Å; S177-K183 WeakPolarHBondContact O-CA 3.45Å
184S86.8Confident89.3Confident46 Ų4670.4 Ų70.432%0.32237%0.373SS..EExtended strand (participates in β ladder)trans-120.1139174.485.80000110.3V176 S177V176-S184 WeakPolarHBondContact CA-O 3.35Å; S177-S184 PolarHBondContact N-O 2.9Å; S177-S184 PolarHBondContact O-N 2.79Å; S177-S184 PolarHBondContact OG-O 3.27Å; S177-S184 PolarHBondContact OG-OG 3.47Å
185S88.4Confident89.2Confident53 Ų5366.5 Ų66.537%0.37136%0.356SS..EExtended strand (participates in β ladder)trans-116.7134.2175.61800000107.9K174 K175K174-S185 WeakPolarHBondContact CE-OG 3.04Å; K175-S185 CarbonylContact O-C 3.51Å; K175-S185 WeakPolarHBondContact O-CA 3.22Å
186R89.7Confident89.2Confident152 Ų15268.5 Ų68.557%0.57437%0.367SS*.EExtended strand (participates in β ladder)trans-124.9138.3172.1-65.8-176.2-174.1171.81.8109.9D88 K175 F188D88-R186 WeakPolarHBondContact OD2-CA 3.29Å; K175-R186 PolarHBondContact N-O 3.43Å; K175-R186 PolarHBondContact O-N 2.82Å; R186-F188 HydrophobicContact CB-CE2 3.73Å; R186-F188 HydrophobicContact CB-CZ 4.21Å
187E91.1Very high89.4Confident60 Ų6065.9 Ų65.928%0.2835%0.351SS..EExtended strand (participates in β ladder)trans-113.1140.9178.2-63.9-171.5-165.200110.6L87 H172 A173 K174L87-E187 HydrophobicContact CB-CB 4.38Å; L87-E187 HydrophobicContact CD1-CB 4.08Å; L87-E187 PolarHBondContact N-O 3.11Å; H172-E187 IonicContact CE1-OE2 3.73Å; H172-E187 PolarHBondContact CE1-OE2 3.17Å; H172-E187 IonicContact NE2-OE2 2.95Å; H172-E187 PolarHBondContact NE2-OE2 2.95Å; A173-E187 CarbonylContact O-C 3.47Å; A173-E187 WeakPolarHBondContact O-CA 3Å; K174-E187 HydrophobicContact CB-CG 4.39Å; K174-E187 HydrophobicContact CD-CG 4.41Å; K174-E187 HydrophobicContact CG-CG 4.09Å; K174-E187 IonicContact NZ-OE1 2.77Å
188F91.8Very high89.9Confident39 Ų3963.2 Ų63.217%0.17133%0.332CS..EExtended strand (participates in β ladder)trans-129.2146.2-179.4-58.3-101.8000108.8L84 L85 P86 F155 H172 A173 K175 R186L84-F188 HydrophobicContact CB-CB 3.79Å; L85-F188 CarbonylContact O-C 3.52Å; L85-F188 WeakPolarHBondContact O-CA 3.09Å; P86-F188 HydrophobicContact CB-CD1 3.99Å; P86-F188 HydrophobicContact CB-CE1 3.86Å; F155-F188 AromaticContact CE1-CD2 3.95Å; F155-F188 HydrophobicContact CE1-CD2 3.95Å; F155-F188 HydrophobicContact CE1-CE2 4.3Å; F155-F188 HydrophobicContact CZ-CB 4.4Å; F155-F188 AromaticContact CZ-CD2 3.56Å; F155-F188 HydrophobicContact CZ-CD2 3.56Å; F155-F188 AromaticContact CZ-CE2 3.92Å; F155-F188 HydrophobicContact CZ-CE2 3.92Å; F155-F188 AromaticContact CZ-CG 3.95Å; F155-F188 HydrophobicContact CZ-CG 3.95Å; H172-F188 CarbonylContact C-O 3.58Å; H172-F188 WeakPolarHBondContact CA-O 3.32Å; A173-F188 HydrophobicContact CB-CB 4.46Å; A173-F188 PolarHBondContact N-O 3.19Å; A173-F188 PolarHBondContact O-N 3.23Å; K175-F188 HydrophobicContact CB-CE2 4.4Å; R186-F188 HydrophobicContact CB-CE2 3.73Å; R186-F188 HydrophobicContact CB-CZ 4.21Å
189C91.6Very high90.3Very high3 Ų358.8 Ų58.82%0.0231%0.312CS..EExtended strand (participates in β ladder)trans-149.4151.3-179.2-172.40000111.7L85 L87 M103 V171 M191L85-C189 PolarHBondContact N-O 3.47Å; L85-C189 PolarHBondContact O-N 3.47Å; L87-C189 HydrophobicContact CD1-CB 3.88Å; L87-C189 HydrophobicContact CD2-CB 3.75Å; L87-C189 HydrophobicContact CG-CB 3.88Å; M103-C189 HydrophobicContact CE-CB 3.62Å; M103-C189 VanDerWaalsContact CE-O 3.23Å; M103-C189 WeakPolarHBondContact CE-O 3.35Å; V171-C189 CarbonylContact O-C 3.57Å; V171-C189 VanDerWaalsContact O-CA 3.26Å; V171-C189 WeakPolarHBondContact O-CA 3.36Å; C189-M191 WeakPolarHBondContact SG-CE 3.32Å
190R91.7Very high90.7Very high0 Ų058.5 Ų58.50%030%0.304CS..EExtended strand (participates in β ladder)trans-144.4138.8168.2-164.966.6164154.910.8109.5F82 A83 L84 L85 E107 I125 G126 F150 V171F82-R190 HydrophobicContact CB-CG 3.99Å; F82-R190 HydrophobicContact CG-CG 4.46Å; A83-R190 VanDerWaalsContact O-CD 3.22Å; A83-R190 WeakPolarHBondContact O-CD 3.34Å; L84-R190 HydrophobicContact CD2-CB 3.7Å; L85-R190 VanDerWaalsContact CD1-NH1 3.29Å; E107-R190 VanDerWaalsContact CD-NH2 3.32Å; E107-R190 IonicContact OE1-CZ 2.67Å; E107-R190 IonicContact OE1-NH1 3.93Å; E107-R190 PolarHBondContact OE1-NH1 3.41Å; E107-R190 IonicContact OE1-NH2 3.23Å; E107-R190 PolarHBondContact OE1-NH2 3.12Å; E107-R190 IonicContact OE2-NH2 3.08Å; I125-R190 PolarHBondContact O-NH2 3.12Å; G126-R190 PolarHBondContact O-NH2 3.05Å; F150-R190 HydrophobicContact CD1-CB 4Å; F150-R190 HydrophobicContact CD1-CG 4Å; F150-R190 HydrophobicContact CE1-CB 3.81Å; F150-R190 HydrophobicContact CE1-CG 3.64Å; V171-R190 PolarHBondContact N-O 3.02Å; V171-R190 PolarHBondContact O-N 3.23Å
191M90.6Very high91Very high16 Ų1655.1 Ų55.18%0.07929%0.286CS..EExtended strand (participates in β ladder)trans-130.6131.5-178.5-64.6153.9173.200108.8P99 F100 M103 L128 R168 L169 T170 C189P99-M191 HydrophobicContact CB-CE 3.39Å; P99-M191 HydrophobicContact CB-SD 3.49Å; P99-M191 WeakPolarHBondContact CB-SD 3.41Å; P99-M191 HydrophobicContact CG-CE 4.22Å; F100-M191 HydrophobicContact CD1-CB 3.78Å; F100-M191 HydrophobicContact CE1-CB 3.54Å; F100-M191 HydrophobicContact CZ-CB 4.13Å; M103-M191 HydrophobicContact CE-SD 4.4Å; M103-M191 HydrophobicContact CG-CB 4.43Å; M103-M191 HydrophobicContact CG-SD 4.1Å; L128-M191 WeakPolarHBondContact CD2-O 3.46Å; R168-M191 PolarHBondContact NH2-SD 2.69Å; L169-M191 CarbonylContact O-C 3.48Å; L169-M191 VanDerWaalsContact O-CA 3.27Å; L169-M191 WeakPolarHBondContact O-CA 3.47Å; T170-M191 HydrophobicContact CG2-CE 3.83Å; T170-M191 HydrophobicContact CG2-CG 3.86Å; C189-M191 WeakPolarHBondContact SG-CE 3.32Å
192I91.1Very high91.4Very high0 Ų054.2 Ų54.20%027%0.269CS..EExtended strand (participates in β ladder)trans-126.6149177.272169.1000109.8F82 L128 F131 F146 V148 F150 R168 L169 L194F82-I192 HydrophobicContact CD1-CG2 4.29Å; F82-I192 HydrophobicContact CD2-CG2 4.13Å; F82-I192 HydrophobicContact CE1-CG2 3.92Å; F82-I192 HydrophobicContact CE2-CD1 4.16Å; F82-I192 HydrophobicContact CE2-CG2 3.75Å; F82-I192 HydrophobicContact CG-CG2 4.37Å; F82-I192 HydrophobicContact CZ-CB 4.49Å; F82-I192 HydrophobicContact CZ-CG2 3.62Å; L128-I192 HydrophobicContact CD2-CB 4.15Å; L128-I192 HydrophobicContact CD2-CG2 3.66Å; F131-I192 HydrophobicContact CE2-CD1 4.4Å; F146-I192 HydrophobicContact CZ-CD1 4.3Å; V148-I192 HydrophobicContact CB-CD1 4.32Å; V148-I192 HydrophobicContact CG1-CD1 4.09Å; V148-I192 HydrophobicContact CG2-CD1 3.81Å; F150-I192 HydrophobicContact CE1-CG2 4.36Å; F150-I192 HydrophobicContact CZ-CD1 4.26Å; F150-I192 HydrophobicContact CZ-CG2 4.14Å; R168-I192 WeakPolarHBondContact CA-O 3.35Å; L169-I192 HydrophobicContact CB-CD1 4.41Å; L169-I192 HydrophobicContact CB-CG1 3.76Å; L169-I192 HydrophobicContact CD2-CD1 3.84Å; L169-I192 HydrophobicContact CD2-CG1 3.96Å; L169-I192 HydrophobicContact CG-CG1 4.35Å; L169-I192 PolarHBondContact N-O 2.99Å; L169-I192 PolarHBondContact O-N 2.79Å; I192-L194 HydrophobicContact CD1-CD2 4.35Å; I192-L194 HydrophobicContact CG1-CD2 4.46Å
193E89.4Confident91.9Very high65 Ų6551.9 Ų51.930%0.30425%0.251SS..EExtended strand (participates in β ladder)trans-77.7137.9169.5-66.3-178.715700109.5F100 F131 H167 H357F100-E193 HydrophobicContact CE1-CG 4.13Å; F100-E193 HydrophobicContact CZ-CG 3.9Å; F131-E193 WeakPolarHBondContact CZ-O 3.34Å; H167-E193 CarbonylContact O-C 3.51Å; H167-E193 WeakPolarHBondContact O-CA 3.39Å; E193-H357 IonicContact OE1-CD2 3.84Å; E193-H357 PolarHBondContact OE1-CD2 2.94Å; E193-H357 VanDerWaalsContact OE1-CD2 3.23Å
194L92.6Very high92.3Very high10 Ų1050 Ų505%0.05224%0.243CC..PPolyproline II helixtrans-97.4131.3178.5-68.2177.5000110F146 S164 H167 L169 I192 I198 L203F146-L194 HydrophobicContact CE1-CD2 3.85Å; F146-L194 HydrophobicContact CZ-CD2 4.17Å; S164-L194 VanDerWaalsContact OG-CD1 3.29Å; S164-L194 WeakPolarHBondContact OG-CD1 3.34Å; H167-L194 PolarHBondContact O-N 3.14Å; L169-L194 HydrophobicContact CB-CD1 4.11Å; L169-L194 HydrophobicContact CB-CD2 3.87Å; L169-L194 HydrophobicContact CB-CG 4Å; I192-L194 HydrophobicContact CD1-CD2 4.35Å; I192-L194 HydrophobicContact CG1-CD2 4.46Å; L194-I198 HydrophobicContact CB-CD1 4.05Å; L194-I198 HydrophobicContact CD1-CD1 4.31Å; L194-I198 HydrophobicContact CD2-CD1 3.88Å; L194-I198 HydrophobicContact CG-CD1 4.31Å; L194-L203 HydrophobicContact CD1-CD1 3.81Å
195P92.5Very high92.8Very high8 Ų847.8 Ų47.85%0.05223%0.227CC..PPolyproline II helixtrans-62141.4174.1-22.733.8000111.9L132 Y136 F146 T197 I198 D334L132-P195 HydrophobicContact CD2-CG 3.44Å; L132-P195 VanDerWaalsContact CD2-CG 3.44Å; Y136-P195 VanDerWaalsContact OH-CB 3.31Å; Y136-P195 WeakPolarHBondContact OH-CB 3.35Å; Y136-P195 WeakPolarHBondContact OH-CG 3.49Å; F146-P195 HydrophobicContact CD2-CG 4.07Å; F146-P195 HydrophobicContact CE2-CG 3.83Å; P195-T197 VanDerWaalsContact CB-OG1 3.31Å; P195-T197 WeakPolarHBondContact CB-OG1 3.46Å; P195-T197 PolarHBondContact O-N 2.81Å; P195-T197 VanDerWaalsContact O-N 3.13Å; P195-I198 HydrophobicContact CB-CG2 4.19Å; P195-I198 HydrophobicContact CG-CG2 4.44Å; P195-I198 WeakPolarHBondContact O-CG1 3.46Å; P195-I198 PolarHBondContact O-N 3.37Å; P195-D334 WeakPolarHBondContact CB-OD2 3.42Å
196Q91.6Very high93.3Very high132 Ų13247 Ų4762%0.61722%0.216SC*.THydrogen-bonded Turntrans-64.9-18.3176.8-65.9180-9.200112.8I198 K220Q196-I198 PolarHBondContact O-N 3.07Å; Q196-K220 WeakPolarHBondContact O-CD 3.29Å; Q196-K220 PolarHBondContact O-NZ 2.83Å
197T93.4Very high93.7Very high17 Ų1740 Ų4010%0.10419%0.19CC..THydrogen-bonded Turntrans-71.5-8.9179.749.50000113.9Y136 P195 K220 D334 L336 L337Y136-T197 PolarHBondContact OH-OG1 2.63Å; Y136-T197 VanDerWaalsContact OH-OG1 3.14Å; P195-T197 VanDerWaalsContact CB-OG1 3.31Å; P195-T197 WeakPolarHBondContact CB-OG1 3.46Å; P195-T197 PolarHBondContact O-N 2.81Å; P195-T197 VanDerWaalsContact O-N 3.13Å; T197-K220 WeakPolarHBondContact O-CB 3.32Å; T197-K220 PolarHBondContact O-N 3.13Å; T197-D334 WeakPolarHBondContact CG2-OD2 3.44Å; T197-D334 PolarHBondContact OG1-OD2 3.32Å; T197-L336 HydrophobicContact CG2-CB 4.03Å; T197-L337 HydrophobicContact CG2-CD1 4.34Å; T197-L337 HydrophobicContact CG2-CD2 3.41Å; T197-L337 VanDerWaalsContact CG2-CD2 3.41Å; T197-L337 HydrophobicContact CG2-CG 3.7Å
198I95.4Very high94Very high1 Ų137.4 Ų37.41%0.00518%0.178CC..BIsolated β-bridgetrans-99.3148-177.782.5179.9000112.5F146 L194 P195 Q196 H200 L203 A217 K220F146-I198 HydrophobicContact CB-CB 4.29Å; F146-I198 HydrophobicContact CB-CG2 3.41Å; F146-I198 VanDerWaalsContact CB-CG2 3.41Å; F146-I198 HydrophobicContact CD1-CD1 3.95Å; F146-I198 HydrophobicContact CD1-CG2 4.31Å; F146-I198 HydrophobicContact CD2-CG2 4.16Å; F146-I198 HydrophobicContact CE1-CD1 4.3Å; F146-I198 HydrophobicContact CG-CD1 4.4Å; F146-I198 HydrophobicContact CG-CG2 3.72Å; L194-I198 HydrophobicContact CB-CD1 4.05Å; L194-I198 HydrophobicContact CD1-CD1 4.31Å; L194-I198 HydrophobicContact CD2-CD1 3.88Å; L194-I198 HydrophobicContact CG-CD1 4.31Å; P195-I198 HydrophobicContact CB-CG2 4.19Å; P195-I198 HydrophobicContact CG-CG2 4.44Å; P195-I198 WeakPolarHBondContact O-CG1 3.46Å; P195-I198 PolarHBondContact O-N 3.37Å; Q196-I198 PolarHBondContact O-N 3.07Å; I198-H200 VanDerWaalsContact C-N 3.27Å; I198-H200 HydrophobicContact CG1-CB 4.33Å; I198-H200 PolarHBondContact O-N 3.08Å; I198-L203 HydrophobicContact CD1-CD2 4.48Å; I198-A217 HydrophobicContact CB-CB 4.4Å; I198-A217 HydrophobicContact CD1-CB 4.37Å; I198-K220 WeakPolarHBondContact O-CE 3.31Å; I198-K220 PolarHBondContact O-NZ 2.86Å
199E94.9Very high94.3Very high59 Ų5941.8 Ų41.828%0.27620%0.199SC..  trans-75.577.6167.1-64.5-70.9-167.900110.1N201 Q202 P218 K220E199-N201 PolarHBondContact O-N 3.1Å; E199-N201 VanDerWaalsContact O-N 3.09Å; E199-Q202 HydrophobicContact CB-CB 4.25Å; E199-Q202 HydrophobicContact CB-CG 4.39Å; E199-Q202 PolarHBondContact O-N 2.95Å; E199-P218 HydrophobicContact CB-CG 4Å; E199-P218 HydrophobicContact CG-CG 4.28Å; E199-P218 PolarHBondContact N-O 2.98Å; E199-K220 HydrophobicContact CG-CG 3.71Å; E199-K220 WeakPolarHBondContact OE1-CG 3.47Å; E199-K220 WeakPolarHBondContact OE2-CE 3.31Å
200H93.1Very high94.6Very high56 Ų5643.9 Ų43.926%0.25921%0.21SC..G310 helixtrans-55.5-31-173.876.9-86.3000113.5I198 Q202 L203I198-H200 VanDerWaalsContact C-N 3.27Å; I198-H200 HydrophobicContact CG1-CB 4.33Å; I198-H200 PolarHBondContact O-N 3.08Å; H200-Q202 PolarHBondContact O-N 3.15Å; H200-L203 HydrophobicContact CB-CD1 4.42Å; H200-L203 WeakPolarHBondContact O-CB 3.47Å; H200-L203 WeakPolarHBondContact O-CD1 3.39Å; H200-L203 WeakPolarHBondContact O-CG 3.5Å; H200-L203 PolarHBondContact O-N 2.57Å
201N93.1Very high94.8Very high116 Ų11644.2 Ų44.262%0.6221%0.214SC*.G310 helixtrans-71-9.7177.963.7-4.9000113.6E199E199-N201 PolarHBondContact O-N 3.1Å; E199-N201 VanDerWaalsContact O-N 3.09Å
202Q95.3Very high95.2Very high96 Ų9643.7 Ų43.745%0.44921%0.211SC..G310 helixtrans-10814.4175.2-66.4-171.745.400112.5E199 H200 K204 P218E199-Q202 HydrophobicContact CB-CB 4.25Å; E199-Q202 HydrophobicContact CB-CG 4.39Å; E199-Q202 PolarHBondContact O-N 2.95Å; H200-Q202 PolarHBondContact O-N 3.15Å; Q202-K204 PolarHBondContact O-N 3.47Å; Q202-P218 HydrophobicContact CB-CG 4.03Å
203L96.9Very high95.5Very high16 Ų1643.7 Ų43.78%0.08421%0.211CC..  trans-57.7126.4172.6-81.8165.2000110.5I14 S164 L194 I198 H200 E216 A217I14-L203 HydrophobicContact CD1-CB 3.62Å; I14-L203 HydrophobicContact CD1-CD1 3.97Å; I14-L203 HydrophobicContact CD1-CG 4.4Å; S164-L203 VanDerWaalsContact OG-CD1 3.26Å; S164-L203 WeakPolarHBondContact OG-CD1 3.35Å; L194-L203 HydrophobicContact CD1-CD1 3.81Å; I198-L203 HydrophobicContact CD1-CD2 4.48Å; H200-L203 HydrophobicContact CB-CD1 4.42Å; H200-L203 WeakPolarHBondContact O-CB 3.47Å; H200-L203 WeakPolarHBondContact O-CD1 3.39Å; H200-L203 WeakPolarHBondContact O-CG 3.5Å; H200-L203 PolarHBondContact O-N 2.57Å; L203-E216 WeakPolarHBondContact CA-O 3.22Å; L203-A217 HydrophobicContact CD2-CB 3.6Å; L203-A217 HydrophobicContact CG-CB 3.87Å
204K97.3Very high96Very high105 Ų10541.2 Ų41.246%0.45720%0.2SC..EExtended strand (participates in β ladder)trans-114.5146.2173.7-66.1177.2-174.5172.50109.1Q202 L215 E216Q202-K204 PolarHBondContact O-N 3.47Å; K204-L215 VanDerWaalsContact O-CA 3.31Å; K204-L215 WeakPolarHBondContact O-CA 3.36Å; K204-E216 HydrophobicContact CB-CG 4.3Å; K204-E216 PolarHBondContact N-O 2.83Å; K204-E216 PolarHBondContact O-N 3.45Å
205C97.8Very high96.2Very high0 Ų040.8 Ų40.80%020%0.198CC..EExtended strand (participates in β ladder)trans-124.3133.8177.5-169.60000110.2I14 N17 L213 M214 L215I14-C205 HydrophobicContact CG2-CB 3.68Å; N17-C205 PolarHBondContact N-O 3.24Å; N17-C205 PolarHBondContact ND2-O 3.23Å; C205-L213 WeakPolarHBondContact SG-CD1 3.26Å; C205-M214 WeakPolarHBondContact CA-O 3.19Å; C205-L215 HydrophobicContact CB-CD2 4.38Å; C205-L215 HydrophobicContact CB-CG 4.27Å
206R97.7Very high96.5Very high36 Ų3641.3 Ų41.314%0.13620%0.199CC..EExtended strand (participates in β ladder)trans-130.9140.2174.9-61.3-175.9-176.8105.54.9110.2N17 E19 L213 M214 E216N17-R206 HydrophobicContact CB-CG 4.43Å; N17-R206 CarbonylContact O-C 3.59Å; N17-R206 WeakPolarHBondContact O-CA 3.33Å; E19-R206 HydrophobicContact CG-CB 4.08Å; E19-R206 HydrophobicContact CG-CG 4.3Å; E19-R206 WeakPolarHBondContact OE1-CD 3.48Å; E19-R206 IonicContact OE1-NE 3.03Å; R206-L213 CarbonylContact O-C 3.56Å; R206-L213 WeakPolarHBondContact O-CA 3.22Å; R206-M214 HydrophobicContact CB-CE 3.78Å; R206-M214 PolarHBondContact N-O 2.72Å; R206-M214 PolarHBondContact O-N 3.07Å; R206-E216 IonicContact CZ-OE1 3.94Å; R206-E216 VanDerWaalsContact NH1-CD 3.29Å; R206-E216 IonicContact NH1-OE1 2.67Å; R206-E216 PolarHBondContact NH1-OE1 3.09Å; R206-E216 IonicContact NH1-OE2 2.67Å; R206-E216 IonicContact NH2-OE1 3.03Å; R206-E216 PolarHBondContact NH2-OE1 2.89Å
207L98.5Very high96.8Very high5 Ų535 Ų353%0.02617%0.17CC..EExtended strand (participates in β ladder)trans-111.9116.7171.1-177.664.4000109.3I16 N17 E19 A152 P157 I160 L213I16-L207 HydrophobicContact CG2-CB 3.73Å; N17-L207 PolarHBondContact O-N 2.84Å; E19-L207 PolarHBondContact N-O 3.41Å; A152-L207 HydrophobicContact CB-CD1 4.07Å; P157-L207 HydrophobicContact CG-CD2 3.89Å; I160-L207 HydrophobicContact CD1-CD2 4.38Å; L207-L213 HydrophobicContact CB-CD1 4.06Å; L207-L213 HydrophobicContact CD1-CB 4.16Å; L207-L213 HydrophobicContact CD1-CD1 4.09Å
208T98.3Very high97Very high5 Ų535 Ų353%0.03117%0.17CC..  trans-75.7160.8178.355.20000112.2K21 F23 D210 G211 V212 M214K21-T208 WeakPolarHBondContact O-CA 3.4Å; K21-T208 WeakPolarHBondContact O-CB 3.26Å; F23-T208 HydrophobicContact CB-CG2 4.37Å; T208-D210 PolarHBondContact O-N 2.67Å; T208-D210 PolarHBondContact OG1-OD1 2.95Å; T208-D210 VanDerWaalsContact OG1-OD1 3.14Å; T208-G211 PolarHBondContact O-N 2.77Å; T208-V212 PolarHBondContact N-O 3.45Å; T208-V212 VanDerWaalsContact OG1-CA 3.32Å; T208-V212 WeakPolarHBondContact OG1-CA 3.45Å; T208-V212 VanDerWaalsContact OG1-CB 3.24Å; T208-V212 WeakPolarHBondContact OG1-CB 3.33Å; T208-V212 PolarHBondContact OG1-N 3Å; T208-V212 PolarHBondContact OG1-O 3.43Å; T208-M214 HydrophobicContact CG2-CE 3.56Å; T208-M214 HydrophobicContact CG2-CG 4.25Å; T208-M214 HydrophobicContact CG2-SD 3.78Å
209E97.1Very high97.1Very high132 Ų13235.5 Ų35.562%0.61717%0.173SC*.THydrogen-bonded Turntrans-58.9-34.4178.7-173.9-177.7-164.200112.6E19 K21 G211E19-E209 PolarHBondContact O-N 2.97Å; K21-E209 PolarHBondContact O-N 3.12Å; E209-G211 VanDerWaalsContact C-N 3.27Å; E209-G211 PolarHBondContact O-N 3.21Å
210D97.3Very high97.1Very high47 Ų4735.9 Ų35.925%0.25117%0.174SC..THydrogen-bonded Turntrans-85.88.7177.967.7-39000114T22 F23 R78 T208T22-D210 VanDerWaalsContact CA-OD1 3.22Å; T22-D210 WeakPolarHBondContact CA-OD1 3.38Å; T22-D210 HydrophobicContact CG2-CB 4.18Å; F23-D210 PolarHBondContact N-OD1 2.8Å; R78-D210 IonicContact CZ-OD2 3.87Å; R78-D210 IonicContact NH1-OD2 3.25Å; R78-D210 PolarHBondContact NH1-OD2 3.43Å; R78-D210 IonicContact NH2-OD2 3.5Å; R78-D210 PolarHBondContact NH2-OD2 2.72Å; T208-D210 PolarHBondContact O-N 2.67Å; T208-D210 PolarHBondContact OG1-OD1 2.95Å; T208-D210 VanDerWaalsContact OG1-OD1 3.14Å
211G97.6Very high97.1Very high7 Ų739.1 Ų39.17%0.07220%0.203CC..SBendtrans84.924.717100000115A152 K153 T208 E209A152-G211 CarbonylContact C-O 3.52Å; A152-G211 VanDerWaalsContact CA-O 3.28Å; A152-G211 WeakPolarHBondContact CA-O 3.41Å; A152-G211 PolarHBondContact N-O 3.38Å; K153-G211 PolarHBondContact N-O 3.45Å; K153-G211 VanDerWaalsContact N-O 3.14Å; T208-G211 PolarHBondContact O-N 2.77Å; E209-G211 VanDerWaalsContact C-N 3.27Å; E209-G211 PolarHBondContact O-N 3.21Å
212V98.2Very high97.1Very high4 Ų434.8 Ų34.82%0.02418%0.181CC..EExtended strand (participates in β ladder)trans-93.1118.3170.4-175.80000109.4F23 M81 H149 T208 M214F23-V212 HydrophobicContact CB-CB 4.02Å; F23-V212 HydrophobicContact CB-CG1 4.45Å; F23-V212 HydrophobicContact CB-CG2 3.71Å; F23-V212 HydrophobicContact CD2-CB 4.31Å; F23-V212 HydrophobicContact CD2-CG1 3.88Å; F23-V212 HydrophobicContact CE2-CG1 4.35Å; F23-V212 HydrophobicContact CG-CB 4.25Å; F23-V212 HydrophobicContact CG-CG1 4.15Å; F23-V212 HydrophobicContact CG-CG2 4.07Å; M81-V212 HydrophobicContact CE-CB 4.28Å; M81-V212 HydrophobicContact CE-CG1 3.55Å; M81-V212 HydrophobicContact CE-CG2 3.69Å; M81-V212 HydrophobicContact SD-CG1 4.07Å; M81-V212 HydrophobicContact SD-CG2 3.96Å; H149-V212 HydrophobicContact CB-CG1 4.04Å; T208-V212 PolarHBondContact N-O 3.45Å; T208-V212 VanDerWaalsContact OG1-CA 3.32Å; T208-V212 WeakPolarHBondContact OG1-CA 3.45Å; T208-V212 VanDerWaalsContact OG1-CB 3.24Å; T208-V212 WeakPolarHBondContact OG1-CB 3.33Å; T208-V212 PolarHBondContact OG1-N 3Å; T208-V212 PolarHBondContact OG1-O 3.43Å; V212-M214 HydrophobicContact CG1-CG 4.07Å
213L98.5Very high97Very high0 Ų033.5 Ų33.50%018%0.177CC..EExtended strand (participates in β ladder)trans-86.9111.6171.9-170.478.3000108.7I16 H149 F150 A152 I160 V162 V171 C205 R206 L207 L215I16-L213 HydrophobicContact CD1-CD1 4.3Å; I16-L213 HydrophobicContact CG2-CD1 3.86Å; H149-L213 CarbonylContact C-O 3.12Å; H149-L213 WeakPolarHBondContact CA-O 3.24Å; F150-L213 HydrophobicContact CB-CB 4.18Å; F150-L213 PolarHBondContact N-O 3Å; F150-L213 PolarHBondContact O-N 3.39Å; A152-L213 HydrophobicContact CB-CB 3.96Å; I160-L213 HydrophobicContact CD1-CD1 4.44Å; I160-L213 HydrophobicContact CG2-CD2 4.21Å; V162-L213 HydrophobicContact CG2-CD2 4.05Å; V171-L213 HydrophobicContact CG1-CD2 3.63Å; V171-L213 HydrophobicContact CG2-CD2 4.2Å; C205-L213 WeakPolarHBondContact SG-CD1 3.26Å; R206-L213 CarbonylContact O-C 3.56Å; R206-L213 WeakPolarHBondContact O-CA 3.22Å; L207-L213 HydrophobicContact CB-CD1 4.06Å; L207-L213 HydrophobicContact CD1-CB 4.16Å; L207-L213 HydrophobicContact CD1-CD1 4.09Å; L213-L215 HydrophobicContact CD2-CD1 4Å; L213-L215 HydrophobicContact CG-CD1 4.04Å
214M98.1Very high96.9Very high13 Ų1336.1 Ų36.16%0.06419%0.187CC..EExtended strand (participates in β ladder)trans-101.8126.7-177.2-50.5-175.8-64.400109.4F23 H26 C205 R206 T208 V212F23-M214 HydrophobicContact CD2-CG 4.2Å; F23-M214 HydrophobicContact CD2-SD 3.62Å; F23-M214 HydrophobicContact CE2-CG 4.41Å; F23-M214 HydrophobicContact CE2-SD 3.95Å; H26-M214 VanDerWaalsContact CD2-CE 3.41Å; H26-M214 WeakPolarHBondContact CD2-CE 3.38Å; H26-M214 VanDerWaalsContact CD2-SD 3.56Å; C205-M214 WeakPolarHBondContact CA-O 3.19Å; R206-M214 HydrophobicContact CB-CE 3.78Å; R206-M214 PolarHBondContact N-O 2.72Å; R206-M214 PolarHBondContact O-N 3.07Å; T208-M214 HydrophobicContact CG2-CE 3.56Å; T208-M214 HydrophobicContact CG2-CG 4.25Å; T208-M214 HydrophobicContact CG2-SD 3.78Å; V212-M214 HydrophobicContact CG1-CG 4.07Å
215L98Very high96.5Very high1 Ų138 Ų381%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-118.9134.1172.4-66.696.8000110.7K147 V148 F150 V162 L169 K204 C205 L213K147-L215 VanDerWaalsContact CA-O 3.31Å; K147-L215 WeakPolarHBondContact CA-O 3.23Å; V148-L215 HydrophobicContact CG2-CB 4.03Å; V148-L215 PolarHBondContact N-O 3.47Å; V148-L215 PolarHBondContact O-N 3.06Å; F150-L215 HydrophobicContact CD2-CD1 3.53Å; F150-L215 HydrophobicContact CE2-CD1 3.52Å; V162-L215 HydrophobicContact CG1-CD2 3.62Å; L169-L215 HydrophobicContact CD1-CD2 3.6Å; L169-L215 HydrophobicContact CD2-CD1 4.36Å; L169-L215 HydrophobicContact CD2-CD2 3.59Å; L169-L215 HydrophobicContact CD2-CG 4.38Å; L169-L215 HydrophobicContact CG-CD2 4.18Å; K204-L215 VanDerWaalsContact O-CA 3.31Å; K204-L215 WeakPolarHBondContact O-CA 3.36Å; C205-L215 HydrophobicContact CB-CD2 4.38Å; C205-L215 HydrophobicContact CB-CG 4.27Å; L213-L215 HydrophobicContact CD2-CD1 4Å; L213-L215 HydrophobicContact CG-CD1 4.04Å
216E97.9Very high96.3Very high19 Ų1938.4 Ų38.49%0.08920%0.2CC..EExtended strand (participates in β ladder)trans-141.8145.3-179.365.8179.7-165.900112.8Y145 F146 K147 L203 K204 R206Y145-E216 HydrophobicContact CD1-CB 4.28Å; Y145-E216 HydrophobicContact CD1-CG 4.5Å; F146-E216 CarbonylContact O-C 3.57Å; F146-E216 WeakPolarHBondContact O-CA 2.95Å; K147-E216 HydrophobicContact CD-CB 3.94Å; K147-E216 WeakPolarHBondContact CE-OE2 3.2Å; K147-E216 HydrophobicContact CG-CB 3.8Å; K147-E216 IonicContact NZ-OE2 3.43Å; L203-E216 WeakPolarHBondContact CA-O 3.22Å; K204-E216 HydrophobicContact CB-CG 4.3Å; K204-E216 PolarHBondContact N-O 2.83Å; K204-E216 PolarHBondContact O-N 3.45Å; R206-E216 IonicContact CZ-OE1 3.94Å; R206-E216 VanDerWaalsContact NH1-CD 3.29Å; R206-E216 IonicContact NH1-OE1 2.67Å; R206-E216 PolarHBondContact NH1-OE1 3.09Å; R206-E216 IonicContact NH1-OE2 2.67Å; R206-E216 IonicContact NH2-OE1 3.03Å; R206-E216 PolarHBondContact NH2-OE1 2.89Å
217A97.9Very high96.2Very high0 Ų036.9 Ų36.90%019%0.194CC..EExtended strand (participates in β ladder)trans-143.6146.4169.900000110.5Y145 F146 I198 L203Y145-A217 CarbonylContact C-O 3.49Å; Y145-A217 WeakPolarHBondContact CA-O 3.31Å; Y145-A217 VanDerWaalsContact CD1-C 3.41Å; Y145-A217 WeakPolarHBondContact CD1-O 3.24Å; F146-A217 PolarHBondContact N-O 3.36Å; F146-A217 PolarHBondContact O-N 3.35Å; I198-A217 HydrophobicContact CB-CB 4.4Å; I198-A217 HydrophobicContact CD1-CB 4.37Å; L203-A217 HydrophobicContact CD2-CB 3.6Å; L203-A217 HydrophobicContact CG-CB 3.87Å
218P97.9Very high96Very high16 Ų1637.5 Ų37.510%0.10420%0.198CC..EExtended strand (participates in β ladder)trans-67.9151.3174.225.9-28.1000111.1Y145 E199 Q202Y145-P218 HydrophobicContact CD1-CB 4.39Å; Y145-P218 HydrophobicContact CE1-CB 4Å; Y145-P218 HydrophobicContact CE1-CG 4.39Å; Y145-P218 HydrophobicContact CE2-CB 4.39Å; E199-P218 HydrophobicContact CB-CG 4Å; E199-P218 HydrophobicContact CG-CG 4.28Å; E199-P218 PolarHBondContact N-O 2.98Å; Q202-P218 HydrophobicContact CB-CG 4.03Å
219V97.7Very high95.8Very high13 Ų1338.3 Ų38.38%0.07920%0.202CC..BIsolated β-bridgetrans-80.8137.8174173.70000110.4Y136 L144 S221 P222 L336Y136-V219 HydrophobicContact CD1-CG2 4.1Å; Y136-V219 HydrophobicContact CE1-CG2 4.21Å; L144-V219 HydrophobicContact CB-CB 4.36Å; L144-V219 HydrophobicContact CB-CG2 4.29Å; L144-V219 HydrophobicContact CD2-CB 4.32Å; L144-V219 HydrophobicContact CD2-CG1 4.37Å; L144-V219 HydrophobicContact CD2-CG2 3.93Å; L144-V219 HydrophobicContact CG-CB 4.46Å; L144-V219 HydrophobicContact CG-CG2 3.93Å; L144-V219 PolarHBondContact O-N 3.16Å; V219-S221 PolarHBondContact O-N 2.85Å; V219-P222 HydrophobicContact CG1-CB 3.99Å; V219-P222 HydrophobicContact CG1-CG 4.38Å; V219-P222 WeakPolarHBondContact O-CD 3.32Å; V219-L336 HydrophobicContact CB-CD1 4.34Å; V219-L336 HydrophobicContact CG1-CD1 3.55Å; V219-L336 HydrophobicContact CG2-CD1 3.79Å
220K95.9Very high95.6Very high66 Ų6633.2 Ų33.229%0.28718%0.179SC..SBendtrans-68.5119.8173-70.1167.1179.7153.20110Q196 T197 I198 E199 P222Q196-K220 WeakPolarHBondContact O-CD 3.29Å; Q196-K220 PolarHBondContact O-NZ 2.83Å; T197-K220 WeakPolarHBondContact O-CB 3.32Å; T197-K220 PolarHBondContact O-N 3.13Å; I198-K220 WeakPolarHBondContact O-CE 3.31Å; I198-K220 PolarHBondContact O-NZ 2.86Å; E199-K220 HydrophobicContact CG-CG 3.71Å; E199-K220 WeakPolarHBondContact OE1-CG 3.47Å; E199-K220 WeakPolarHBondContact OE2-CE 3.31Å; K220-P222 VanDerWaalsContact C-CD 3.48Å; K220-P222 VanDerWaalsContact O-N 3.16Å
221S92.8Very high95Very high124 Ų12437.1 Ų37.187%0.86720%0.2SC*.SBendtrans41.154.4168.7-56.60000115.3V219V219-S221 PolarHBondContact O-N 2.85Å
222P93.6Very high94.5Very high25 Ų2541.9 Ų41.916%0.16222%0.224CC..  trans-61.8140.8-179.825.8-35000111.9L144 V219 K220 Y224 I227L144-P222 HydrophobicContact CB-CB 4.48Å; L144-P222 HydrophobicContact CD2-CB 4.38Å; V219-P222 HydrophobicContact CG1-CB 3.99Å; V219-P222 HydrophobicContact CG1-CG 4.38Å; V219-P222 WeakPolarHBondContact O-CD 3.32Å; K220-P222 VanDerWaalsContact C-CD 3.48Å; K220-P222 VanDerWaalsContact O-N 3.16Å; P222-Y224 VanDerWaalsContact C-N 3.31Å; P222-Y224 HydrophobicContact CB-CD1 4.48Å; P222-Y224 HydrophobicContact CB-CE1 4.2Å; P222-Y224 HydrophobicContact CB-CE2 4.43Å; P222-Y224 HydrophobicContact CG-CD1 4.37Å; P222-Y224 HydrophobicContact CG-CD2 4.11Å; P222-Y224 HydrophobicContact CG-CE1 3.77Å; P222-Y224 HydrophobicContact CG-CE2 3.47Å; P222-Y224 VanDerWaalsContact CG-CE2 3.47Å; P222-Y224 WeakPolarHBondContact CG-OH 3.09Å; P222-Y224 PolarHBondContact O-N 2.85Å; P222-I227 HydrophobicContact CB-CD1 3.67Å
223D92.6Very high94.2Very high69 Ų6942.2 Ų42.237%0.36923%0.225SC..  trans-81.476.4173.9-178.411.4000110.2E225 S226 I227 K240D223-E225 PolarHBondContact O-N 2.96Å; D223-S226 VanDerWaalsContact CG-OG 3.28Å; D223-S226 PolarHBondContact O-N 2.76Å; D223-S226 WeakPolarHBondContact OD2-CB 3.35Å; D223-S226 PolarHBondContact OD2-OG 2.97Å; D223-I227 WeakPolarHBondContact O-CD1 3.44Å; D223-I227 WeakPolarHBondContact O-CG1 3.19Å; D223-I227 PolarHBondContact O-N 3.03Å; D223-I227 VanDerWaalsContact O-N 3.14Å; D223-K240 IonicContact OD1-NZ 2.8Å; D223-K240 PolarHBondContact OD1-NZ 2.88Å; D223-K240 WeakPolarHBondContact OD2-CE 3.13Å; D223-K240 IonicContact OD2-NZ 3.76Å; D223-K240 PolarHBondContact OD2-NZ 2.85Å
224Y93.6Very high93.9Very high71 Ų7144 Ų4428%0.27823%0.231SC..THydrogen-bonded Turntrans-58.6-16.8-177.1-69.7-62.8000114.5W55 K143 L144 P222 S226W55-Y224 AromaticContact CD2-CD1 3.38Å; W55-Y224 HydrophobicContact CD2-CD1 3.38Å; W55-Y224 AromaticContact CD2-CE1 3.89Å; W55-Y224 HydrophobicContact CD2-CE1 3.89Å; W55-Y224 HydrophobicContact CD2-CG 4.17Å; W55-Y224 AromaticContact CE2-CD1 3.44Å; W55-Y224 VanDerWaalsContact CE2-CD1 3.44Å; W55-Y224 AromaticContact CE2-CE1 3.39Å; W55-Y224 AromaticContact CE3-CD1 3.68Å; W55-Y224 HydrophobicContact CE3-CD1 3.68Å; W55-Y224 HydrophobicContact CE3-CE1 4.38Å; W55-Y224 AromaticContact CG-CD1 3.85Å; W55-Y224 HydrophobicContact CG-CD1 3.85Å; W55-Y224 HydrophobicContact CG-CE1 4.42Å; W55-Y224 HydrophobicContact CG-CG 4.2Å; W55-Y224 HydrophobicContact CH2-CD1 4.08Å; W55-Y224 HydrophobicContact CH2-CE1 4.06Å; W55-Y224 AromaticContact CZ2-CD1 3.82Å; W55-Y224 HydrophobicContact CZ2-CD1 3.82Å; W55-Y224 AromaticContact CZ2-CE1 3.51Å; W55-Y224 HydrophobicContact CZ2-CE1 3.51Å; W55-Y224 HydrophobicContact CZ3-CD1 4.01Å; W55-Y224 HydrophobicContact CZ3-CE1 4.46Å; W55-Y224 AromaticContact NE1-CD1 3.84Å; W55-Y224 AromaticContact NE1-CE1 3.64Å; K143-Y224 WeakPolarHBondContact CA-OH 3.23Å; K143-Y224 WeakPolarHBondContact CB-OH 3.4Å; L144-Y224 HydrophobicContact CB-CE1 4.14Å; L144-Y224 PolarHBondContact N-OH 2.91Å; P222-Y224 VanDerWaalsContact C-N 3.31Å; P222-Y224 HydrophobicContact CB-CD1 4.48Å; P222-Y224 HydrophobicContact CB-CE1 4.2Å; P222-Y224 HydrophobicContact CB-CE2 4.43Å; P222-Y224 HydrophobicContact CG-CD1 4.37Å; P222-Y224 HydrophobicContact CG-CD2 4.11Å; P222-Y224 HydrophobicContact CG-CE1 3.77Å; P222-Y224 HydrophobicContact CG-CE2 3.47Å; P222-Y224 VanDerWaalsContact CG-CE2 3.47Å; P222-Y224 WeakPolarHBondContact CG-OH 3.09Å; P222-Y224 PolarHBondContact O-N 2.85Å; Y224-S226 VanDerWaalsContact C-N 3.35Å
225E90.2Very high93.8Very high145 Ų14543.5 Ų43.568%0.67823%0.229SC*.THydrogen-bonded Turntrans-77.1-23175-64.1-175.7173.400113D223 K240D223-E225 PolarHBondContact O-N 2.96Å; E225-K240 IonicContact OE2-NZ 3.9Å
226S93Very high93.7Very high8 Ų843.4 Ų43.46%0.05623%0.229CC..THydrogen-bonded Turntrans-101.1-22.9178.3-53.20000112.4D223 Y224 I237 H238 K240D223-S226 VanDerWaalsContact CG-OG 3.28Å; D223-S226 PolarHBondContact O-N 2.76Å; D223-S226 WeakPolarHBondContact OD2-CB 3.35Å; D223-S226 PolarHBondContact OD2-OG 2.97Å; Y224-S226 VanDerWaalsContact C-N 3.35Å; S226-I237 CarbonylContact O-C 3.5Å; S226-I237 WeakPolarHBondContact O-CA 3.3Å; S226-H238 PolarHBondContact O-N 2.91Å; S226-K240 WeakPolarHBondContact OG-CE 3.46Å; S226-K240 PolarHBondContact OG-NZ 2.84Å
227I95.2Very high93.7Very high4 Ų443 Ų432%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-76.8133.3-173.3-67.7159.8000111W55 L144 P222 D223 L235 I237 L336W55-I227 HydrophobicContact CH2-CG2 4.37Å; W55-I227 HydrophobicContact CZ3-CB 4.4Å; W55-I227 HydrophobicContact CZ3-CG2 3.83Å; L144-I227 HydrophobicContact CD2-CD1 4.05Å; P222-I227 HydrophobicContact CB-CD1 3.67Å; D223-I227 WeakPolarHBondContact O-CD1 3.44Å; D223-I227 WeakPolarHBondContact O-CG1 3.19Å; D223-I227 PolarHBondContact O-N 3.03Å; D223-I227 VanDerWaalsContact O-N 3.14Å; I227-L235 HydrophobicContact CG2-CD1 3.45Å; I227-L235 VanDerWaalsContact CG2-CD1 3.45Å; I227-I237 HydrophobicContact CG1-CD1 4.16Å; I227-L336 HydrophobicContact CD1-CD2 4.03Å; I227-L336 HydrophobicContact CG1-CD2 4.42Å
228T95.2Very high93.5Very high18 Ų1844.7 Ų44.711%0.1124%0.235CC..EExtended strand (participates in β ladder)trans-138.4179.2170.4-168.20000110.4G236 H238 C290T228-G236 PolarHBondContact N-O 2.92Å; T228-G236 PolarHBondContact O-N 2.83Å; T228-H238 VanDerWaalsContact CB-NE2 3.33Å; T228-H238 WeakPolarHBondContact CB-NE2 3.44Å; T228-H238 WeakPolarHBondContact CG2-NE2 3.49Å; T228-H238 PolarHBondContact OG1-NE2 3.22Å; T228-C290 HydrophobicContact CG2-CB 4.49Å
229F94.7Very high93.5Very high23 Ų2344.1 Ų44.110%0.10123%0.231CC..EExtended strand (participates in β ladder)trans-127.8134.4169.8-68.6-86.1000110W55 V58 W62 Y136 V138 L144 R234 L235W55-F229 AromaticContact CH2-CE2 3.92Å; W55-F229 HydrophobicContact CH2-CE2 3.92Å; W55-F229 HydrophobicContact CZ3-CE2 4.2Å; V58-F229 HydrophobicContact CG1-CD2 3.84Å; V58-F229 HydrophobicContact CG1-CE2 4.32Å; W62-F229 HydrophobicContact CB-CD2 4.13Å; W62-F229 HydrophobicContact CB-CG 4.49Å; W62-F229 AromaticContact CD1-CD1 3.74Å; W62-F229 AromaticContact CD1-CD2 3.77Å; W62-F229 AromaticContact CD1-CG 3.49Å; W62-F229 VanDerWaalsContact CD1-CG 3.49Å; W62-F229 HydrophobicContact CG-CD2 4.09Å; W62-F229 HydrophobicContact CG-CE2 4.48Å; W62-F229 HydrophobicContact CG-CG 4.23Å; Y136-F229 WeakPolarHBondContact O-CE1 3.33Å; V138-F229 HydrophobicContact CG2-CE2 3.8Å; V138-F229 HydrophobicContact CG2-CZ 4.14Å; L144-F229 HydrophobicContact CD1-CZ 3.72Å; F229-R234 WeakPolarHBondContact CA-O 3.26Å; F229-L235 HydrophobicContact CE1-CB 4.45Å; F229-L235 HydrophobicContact CE1-CD1 4.16Å; F229-L235 HydrophobicContact CZ-CD1 4.23Å
230T91.5Very high93.3Very high24 Ų2444.7 Ų44.715%0.14723%0.232CC..  trans-63.6165.3169.459.30000110.8N232 R233 R234 N292T230-N232 PolarHBondContact O-N 3.48Å; T230-N232 VanDerWaalsContact O-N 3.11Å; T230-R233 WeakPolarHBondContact O-CA 3.14Å; T230-R233 PolarHBondContact O-N 3.38Å; T230-R234 PolarHBondContact N-O 2.96Å; T230-R234 WeakPolarHBondContact OG1-CB 3.39Å; T230-R234 PolarHBondContact OG1-N 3.48Å; T230-R234 PolarHBondContact OG1-O 2.79Å; T230-N292 HydrophobicContact CG2-CB 4.12Å
231D85.6Confident93Very high129 Ų12943 Ų4369%0.6923%0.229SC*.THydrogen-bonded Turntrans-56.6-28.9173.5-70.8-22.9000112.7R233D231-R233 PolarHBondContact O-N 3.43Å; D231-R233 PolarHBondContact O-NH1 2.85Å
232N86.1Confident92.8Very high107 Ų10740.1 Ų40.157%0.57221%0.213SC*.THydrogen-bonded Turntrans-80.720171.6-69.7-26000112.6R76 T230 R234R76-N232 PolarHBondContact NH1-O 3.45Å; T230-N232 PolarHBondContact O-N 3.48Å; T230-N232 VanDerWaalsContact O-N 3.11Å; N232-R234 PolarHBondContact O-N 2.81Å
233R92.2Very high92.5Very high11 Ų1145 Ų454%0.04224%0.238CC..SBendtrans53.722.2176-56.1162.5-64.6-74.63.4114.6S66 E73 T230 D231S66-R233 WeakPolarHBondContact OG-CD 3.33Å; E73-R233 WeakPolarHBondContact OE2-CD 3.49Å; E73-R233 IonicContact OE2-NE 2.95Å; T230-R233 WeakPolarHBondContact O-CA 3.14Å; T230-R233 PolarHBondContact O-N 3.38Å; D231-R233 PolarHBondContact O-N 3.43Å; D231-R233 PolarHBondContact O-NH1 2.85Å
234R92.9Very high92.4Very high37 Ų3744.5 Ų44.514%0.1423%0.233CC..  trans-91.9142.7174.4-65.9-175174159.7-2.7109.7K133 D134 F229 T230 N232 G236 D294K133-R234 WeakPolarHBondContact O-CG 3.48Å; D134-R234 WeakPolarHBondContact OD1-CG 3.38Å; D134-R234 IonicContact OD1-CZ 3.71Å; D134-R234 IonicContact OD1-NE 3.1Å; D134-R234 PolarHBondContact OD1-NE 3.42Å; D134-R234 IonicContact OD1-NH2 2.83Å; D134-R234 IonicContact OD2-NH2 3.15Å; F229-R234 WeakPolarHBondContact CA-O 3.26Å; T230-R234 PolarHBondContact N-O 2.96Å; T230-R234 WeakPolarHBondContact OG1-CB 3.39Å; T230-R234 PolarHBondContact OG1-N 3.48Å; T230-R234 PolarHBondContact OG1-O 2.79Å; N232-R234 PolarHBondContact O-N 2.81Å; R234-G236 PolarHBondContact O-N 2.87Å; R234-D294 IonicContact CZ-OD1 2.8Å; R234-D294 IonicContact CZ-OD2 3.1Å; R234-D294 IonicContact NH1-OD1 2.95Å; R234-D294 PolarHBondContact NH1-OD1 2.77Å; R234-D294 IonicContact NH1-OD2 2.67Å; R234-D294 PolarHBondContact NH1-OD2 3.06Å; R234-D294 IonicContact NH2-OD1 3.28Å
235L95.6Very high92.2Very high3 Ų342.9 Ų42.92%0.01623%0.229CC..EExtended strand (participates in β ladder)trans-56.5127.1177-17278.8000110.3Y136 L144 I227 F229 N292 P335 L336Y136-L235 HydrophobicContact CD2-CD2 3.79Å; Y136-L235 HydrophobicContact CE2-CD2 4.48Å; Y136-L235 HydrophobicContact CG-CD2 4.1Å; L144-L235 HydrophobicContact CD1-CD1 4.23Å; L144-L235 HydrophobicContact CD2-CD1 4.18Å; I227-L235 HydrophobicContact CG2-CD1 3.45Å; I227-L235 VanDerWaalsContact CG2-CD1 3.45Å; F229-L235 HydrophobicContact CE1-CB 4.45Å; F229-L235 HydrophobicContact CE1-CD1 4.16Å; F229-L235 HydrophobicContact CZ-CD1 4.23Å; L235-N292 WeakPolarHBondContact O-CB 3.27Å; L235-P335 HydrophobicContact CD2-CB 4.02Å; L235-P335 HydrophobicContact CD2-CG 4.25Å; L235-L336 HydrophobicContact CD1-CD2 4.43Å; L235-L336 HydrophobicContact CD2-CB 4.45Å; L235-L336 HydrophobicContact CD2-CD2 3.54Å; L235-L336 HydrophobicContact CD2-CG 3.54Å
236G96.2Very high92Very high0 Ų043.6 Ų43.60%023%0.232CC..EExtended strand (participates in β ladder)trans-122.7159.7172.900000111.1T228 R234 V291T228-G236 PolarHBondContact N-O 2.92Å; T228-G236 PolarHBondContact O-N 2.83Å; R234-G236 PolarHBondContact O-N 2.87Å; G236-V291 CarbonylContact C-O 3.57Å; G236-V291 WeakPolarHBondContact CA-O 3.44Å
237I96.6Very high91.8Very high11 Ų1147.9 Ų47.96%0.05626%0.262CS..EExtended strand (participates in β ladder)trans-122.9119.4178.3-57.2-62.2000108.4S226 I227 V291 V338 A340S226-I237 CarbonylContact O-C 3.5Å; S226-I237 WeakPolarHBondContact O-CA 3.3Å; I227-I237 HydrophobicContact CG1-CD1 4.16Å; I237-V291 HydrophobicContact CB-CB 4.46Å; I237-V291 PolarHBondContact N-O 3.22Å; I237-V291 PolarHBondContact O-N 2.88Å; I237-V338 HydrophobicContact CG1-CB 4.32Å; I237-A340 HydrophobicContact CG2-CB 4.21Å
238H95.6Very high91.3Very high35 Ų3549.1 Ų49.116%0.16227%0.27CS..PPolyproline II helixtrans-72.9131.8163.5-72.5-62.7000109.2S226 T228 P286 E287 L289S226-H238 PolarHBondContact O-N 2.91Å; T228-H238 VanDerWaalsContact CB-NE2 3.33Å; T228-H238 WeakPolarHBondContact CB-NE2 3.44Å; T228-H238 WeakPolarHBondContact CG2-NE2 3.49Å; T228-H238 PolarHBondContact OG1-NE2 3.22Å; H238-P286 PolarHBondContact ND1-O 3.24Å; H238-E287 PolarHBondContact CE1-O 3.14Å; H238-E287 PolarHBondContact ND1-O 3.05Å; H238-L289 PolarHBondContact CE1-O 2.81Å; H238-L289 PolarHBondContact ND1-O 2.96Å
239P96.5Very high91Very high3 Ų352 Ų522%0.01929%0.289CS..PPolyproline II helixtrans-63.6148.5171.626-31.9000111.1P286 L289 A340 L342 L347P239-P286 WeakPolarHBondContact CD-O 3.34Å; P239-P286 HydrophobicContact CG-CB 4.26Å; P239-P286 WeakPolarHBondContact O-CB 3.49Å; P239-L289 HydrophobicContact CG-CB 3.89Å; P239-L289 HydrophobicContact CG-CD1 3.87Å; P239-A340 CarbonylContact C-O 3.57Å; P239-A340 WeakPolarHBondContact CA-O 3.23Å; P239-A340 HydrophobicContact CB-CB 3.99Å; P239-L342 HydrophobicContact CB-CB 4.39Å; P239-L347 HydrophobicContact CB-CD1 3.56Å; P239-L347 HydrophobicContact CG-CD1 3.9Å
240K94.4Very high90.5Very high25 Ų2555.5 Ų55.511%0.10932%0.322CS..BIsolated β-bridgetrans-68.7138.6170.7-62.4-59.8-164.2-172.70110.1D223 E225 S226 Q244 I245 A340 Q341 L342D223-K240 IonicContact OD1-NZ 2.8Å; D223-K240 PolarHBondContact OD1-NZ 2.88Å; D223-K240 WeakPolarHBondContact OD2-CE 3.13Å; D223-K240 IonicContact OD2-NZ 3.76Å; D223-K240 PolarHBondContact OD2-NZ 2.85Å; E225-K240 IonicContact OE2-NZ 3.9Å; S226-K240 WeakPolarHBondContact OG-CE 3.46Å; S226-K240 PolarHBondContact OG-NZ 2.84Å; K240-Q244 HydrophobicContact CB-CB 3.96Å; K240-Q244 HydrophobicContact CD-CB 4.13Å; K240-Q244 HydrophobicContact CG-CB 4.46Å; K240-I245 HydrophobicContact CB-CG1 3.98Å; K240-A340 PolarHBondContact N-O 3.3Å; K240-Q341 HydrophobicContact CB-CG 4.39Å; K240-L342 PolarHBondContact O-N 3.02Å; K240-L342 VanDerWaalsContact O-N 3.09Å
241S90.1Very high90Very high30 Ų3059.8 Ų59.821%0.2135%0.353CS..PPolyproline II helixtrans-71.8163.6171.462.50000112.3D243 Q244 I245S241-D243 PolarHBondContact O-N 3.34Å; S241-Q244 PolarHBondContact O-N 2.9Å; S241-Q244 WeakPolarHBondContact OG-CG 3.49Å; S241-Q244 PolarHBondContact OG-N 3.29Å; S241-Q244 PolarHBondContact OG-OE1 2.81Å; S241-I245 VanDerWaalsContact O-CG1 3.24Å; S241-I245 WeakPolarHBondContact O-CG1 3.09Å; S241-I245 PolarHBondContact O-N 2.98Å
242A88.1Confident90Very high65 Ų6559.4 Ų59.454%0.53735%0.345SS..Hα-helixtrans-52.8-39176.700000113.3I245A242-I245 PolarHBondContact O-N 3.18Å
243D87.5Confident90.1Very high128 Ų12856.5 Ų56.568%0.68434%0.336SS*.Hα-helixtrans-70-38.6177.9-66-24.3000111.9S241S241-D243 PolarHBondContact O-N 3.34Å
244Q89.6Confident90.2Very high58 Ų5856.8 Ų56.827%0.27134%0.339SS..Hα-helixtrans-69.8-35.8175.8-73.1168.2-45.500111.9K240 S241 Q246 S247 V248K240-Q244 HydrophobicContact CB-CB 3.96Å; K240-Q244 HydrophobicContact CD-CB 4.13Å; K240-Q244 HydrophobicContact CG-CB 4.46Å; S241-Q244 PolarHBondContact O-N 2.9Å; S241-Q244 WeakPolarHBondContact OG-CG 3.49Å; S241-Q244 PolarHBondContact OG-N 3.29Å; S241-Q244 PolarHBondContact OG-OE1 2.81Å; Q244-Q246 PolarHBondContact O-N 3.04Å; Q244-S247 PolarHBondContact O-N 3.16Å; Q244-S247 PolarHBondContact O-OG 2.89Å; Q244-V248 WeakPolarHBondContact O-CG2 3.39Å; Q244-V248 PolarHBondContact O-N 3.1Å
245I89.3Confident90.2Very high37 Ų3759.8 Ų59.819%0.1936%0.361CS..Hα-helixtrans-60-33.3179.5-68.5163.5000111.2K240 S241 A242 S247 V248 Q341 I343K240-I245 HydrophobicContact CB-CG1 3.98Å; S241-I245 VanDerWaalsContact O-CG1 3.24Å; S241-I245 WeakPolarHBondContact O-CG1 3.09Å; S241-I245 PolarHBondContact O-N 2.98Å; A242-I245 PolarHBondContact O-N 3.18Å; I245-S247 PolarHBondContact O-N 3.33Å; I245-V248 WeakPolarHBondContact O-CB 3.2Å; I245-V248 PolarHBondContact O-N 3.44Å; I245-Q341 HydrophobicContact CD1-CB 3.76Å; I245-Q341 HydrophobicContact CD1-CG 4.15Å; I245-Q341 HydrophobicContact CG1-CB 4.16Å; I245-Q341 HydrophobicContact CG1-CG 3.98Å; I245-I343 HydrophobicContact CD1-CG1 4Å
246Q87.3Confident90.1Very high159 Ų15962.4 Ų62.474%0.74338%0.377SS*.THydrogen-bonded Turntrans-62.4-25.2177.4-66.117237.600113.5Q244Q244-Q246 PolarHBondContact O-N 3.04Å
247S87.8Confident90Very high99 Ų9967.2 Ų67.269%0.69240%0.398SS*.THydrogen-bonded Turntrans-96.4-4.8177.171.10000113.4Q244 I245Q244-S247 PolarHBondContact O-N 3.16Å; Q244-S247 PolarHBondContact O-OG 2.89Å; I245-S247 PolarHBondContact O-N 3.33Å
248V85.6Confident89.9Confident29 Ų2969.1 Ų69.118%0.17642%0.42CS..SBendtrans-69.7129.9178.4174.90000109.5Q244 I245 K252Q244-V248 WeakPolarHBondContact O-CG2 3.39Å; Q244-V248 PolarHBondContact O-N 3.1Å; I245-V248 WeakPolarHBondContact O-CB 3.2Å; I245-V248 PolarHBondContact O-N 3.44Å; V248-K252 HydrophobicContact CG1-CB 3.47Å; V248-K252 VanDerWaalsContact CG1-CB 3.47Å
249P87.6Confident89.7Confident79 Ų7970.9 Ų70.951%0.51343%0.433SS..  trans-56.3144.1172.8-24.333.6000111.2S251 K252 A253P249-S251 PolarHBondContact O-N 2.97Å; P249-K252 PolarHBondContact O-N 3.12Å; P249-A253 PolarHBondContact O-N 2.67Å
250A84.8Confident89.5Confident97 Ų9774.3 Ų74.380%0.80246%0.457SS*.G310 helixtrans-53.2-28.6-178.600000113.8K252 A253A250-K252 PolarHBondContact O-N 3.14Å; A250-A253 PolarHBondContact O-N 3.23Å
251S81.1Confident89.4Confident113 Ų11373.8 Ų73.879%0.7946%0.459SS*.G310 helixtrans-68.2-15.3175.856.50000115P249P249-S251 PolarHBondContact O-N 2.97Å
252K84.3Confident89.5Confident121 Ų12175 Ų7553%0.52647%0.466SS..G310 helixtrans-115.6-1.8178.1-70.9-172177.3-170.70112.9V248 P249 A250 Q341V248-K252 HydrophobicContact CG1-CB 3.47Å; V248-K252 VanDerWaalsContact CG1-CB 3.47Å; P249-K252 PolarHBondContact O-N 3.12Å; A250-K252 PolarHBondContact O-N 3.14Å; K252-Q341 PolarHBondContact O-NE2 3.32Å
253A89.7Confident89.9Confident47 Ų4774.1 Ų74.139%0.38845%0.452SS..  trans-70.9130.7177.600000110P249 A250P249-A253 PolarHBondContact O-N 2.67Å; A250-A253 PolarHBondContact O-N 3.23Å
254L93.9Very high90.2Very high17 Ų1771 Ų719%0.08944%0.435CS..  trans-95.3143.7-178.5-59.3-174.1000110.6Q341 V348 E350L254-Q341 HydrophobicContact CB-CG 4.45Å; L254-Q341 HydrophobicContact CD1-CB 4.22Å; L254-Q341 HydrophobicContact CD1-CG 4.02Å; L254-Q341 HydrophobicContact CG-CG 4.13Å; L254-V348 HydrophobicContact CB-CB 4.35Å; L254-V348 HydrophobicContact CB-CG1 3.92Å; L254-V348 HydrophobicContact CD1-CB 4.32Å; L254-V348 HydrophobicContact CD1-CG1 4.12Å; L254-V348 VanDerWaalsContact CD1-O 3.29Å; L254-V348 WeakPolarHBondContact CD1-O 3.45Å; L254-E350 HydrophobicContact CD2-CB 3.83Å; L254-E350 HydrophobicContact CD2-CG 3.81Å
255V92.5Very high90.3Very high99 Ų9969.5 Ų69.560%0.643%0.428SS*.  trans-111.9124.5-178.7179.90000109.3K257 H275V255-K257 PolarHBondContact O-N 2.9Å; V255-H275 PolarHBondContact O-CE1 2.94Å; V255-H275 VanDerWaalsContact O-CE1 3.3Å
256V94.7Very high90.4Very high58 Ų5873.3 Ų73.335%0.35245%0.449SS..  trans-68.1122.3171.7-179.50000109.3I343 V348V256-I343 HydrophobicContact CG2-CB 4.17Å; V256-I343 HydrophobicContact CG2-CD1 4.13Å; V256-I343 HydrophobicContact CG2-CG2 4.05Å; V256-V348 HydrophobicContact CG2-CG2 3.72Å
257K93.8Very high90.1Very high101 Ų10167.9 Ų67.944%0.43943%0.425SS..  trans-95.9-17.7175-61-176.7178.6-155.50112.6V255 I263 L265 E277V255-K257 PolarHBondContact O-N 2.9Å; K257-I263 HydrophobicContact CD-CD1 3.83Å; K257-L265 HydrophobicContact CD-CD2 4.35Å; K257-E277 VanDerWaalsContact CA-OE1 3.3Å; K257-E277 WeakPolarHBondContact CA-OE1 3.31Å; K257-E277 WeakPolarHBondContact CB-OE1 3.21Å; K257-E277 PolarHBondContact N-OE1 2.91Å
258G93.3Very high89.7Confident51 Ų5173 Ų7353%0.52644%0.438SS..SBendtrans82.616.9176.100000114.1E277G258-E277 WeakPolarHBondContact CA-OE2 3.4Å; G258-E277 PolarHBondContact N-OE1 2.9Å; G258-E277 PolarHBondContact N-OE2 3.25Å
259V92Very high89.5Confident72 Ų7277.8 Ų77.844%0.43647%0.467SS..  trans-110.3116178.6-177.90000108.7I263 E277V259-I263 HydrophobicContact CG1-CG2 3.97Å; V259-E277 PolarHBondContact N-OE2 3.15Å; V259-E277 WeakPolarHBondContact O-CB 3.27Å
260S91.8Very high88.9Confident75 Ų7578.5 Ų78.552%0.52447%0.466SS..  trans-78.2137.3179.3-54.60000110.8
261G91.9Very high89Confident14 Ų1474.6 Ų74.614%0.14444%0.436CS..EExtended strand (participates in β ladder)trans95.5178.2-176.600000113.7E277G261-E277 PolarHBondContact N-O 3Å
262P93.6Very high89.5Confident55 Ų5572.9 Ų72.936%0.35741%0.412SS..EExtended strand (participates in β ladder)trans-78.1134.5-173.930.6-34.1000111.1L274 H275 L276 I329P262-L274 HydrophobicContact CB-CD1 3.83Å; P262-H275 CarbonylContact C-O 3.49Å; P262-H275 WeakPolarHBondContact CA-O 3.36Å; P262-L276 HydrophobicContact CB-CD1 4.39Å; P262-I329 HydrophobicContact CB-CG2 4.4Å
263I94.9Very high89.9Confident47 Ų4769.7 Ų69.724%0.24140%0.397CS..EExtended strand (participates in β ladder)trans-127.9148.6168.467.3178.9000109.3K257 V259 L265 H275K257-I263 HydrophobicContact CD-CD1 3.83Å; V259-I263 HydrophobicContact CG1-CG2 3.97Å; I263-L265 HydrophobicContact CD1-CD2 3.77Å; I263-L265 HydrophobicContact CG1-CD2 3.96Å; I263-H275 HydrophobicContact CD1-CB 4.31Å; I263-H275 HydrophobicContact CG1-CB 3.75Å; I263-H275 PolarHBondContact N-O 3.24Å; I263-H275 PolarHBondContact O-N 3.23Å; I263-H275 VanDerWaalsContact O-O 3.12Å
264I94Very high90.2Very high64 Ų6467.5 Ų67.533%0.32838%0.379SS..EExtended strand (participates in β ladder)trans-97.8120.9174.1-56-46.1000108.5R272 R273 L274 P330 L353I264-R272 HydrophobicContact CG2-CB 4.4Å; I264-R273 WeakPolarHBondContact CA-O 3.36Å; I264-L274 HydrophobicContact CD1-CD1 4.12Å; I264-P330 HydrophobicContact CD1-CG 3.83Å; I264-P330 HydrophobicContact CG1-CG 3.94Å; I264-L353 HydrophobicContact CD1-CD1 3.82Å; I264-L353 HydrophobicContact CG1-CD1 4.38Å; I264-L353 HydrophobicContact CG2-CD1 3.96Å
265L92.8Very high90.3Very high25 Ų2566.7 Ų66.713%0.13137%0.374CS..EExtended strand (participates in β ladder)trans-90.5133170.2-50.2-175.6000107.6K257 I263 R272 R273 H275 E350K257-L265 HydrophobicContact CD-CD2 4.35Å; I263-L265 HydrophobicContact CD1-CD2 3.77Å; I263-L265 HydrophobicContact CG1-CD2 3.96Å; L265-R272 CarbonylContact O-C 3.57Å; L265-R272 VanDerWaalsContact O-CA 3.27Å; L265-R272 WeakPolarHBondContact O-CA 3.23Å; L265-R273 HydrophobicContact CB-CB 4.48Å; L265-R273 PolarHBondContact N-O 3.13Å; L265-R273 PolarHBondContact O-N 3.31Å; L265-H275 HydrophobicContact CD1-CB 3.65Å; L265-H275 HydrophobicContact CD2-CB 4.21Å; L265-H275 HydrophobicContact CG-CB 3.73Å; L265-E350 WeakPolarHBondContact CD1-OE1 3.18Å
266D89.9Confident90.5Very high118 Ų11862 Ų6263%0.63135%0.346SS*.EExtended strand (participates in β ladder)trans-127.3116.6173.2-160.2-3.4000107.3R272D266-R272 HydrophobicContact CB-CG 4.06Å; D266-R272 VanDerWaalsContact CG-CG 3.42Å; D266-R272 WeakPolarHBondContact OD1-CG 3.26Å; D266-R272 WeakPolarHBondContact OD2-CG 3.2Å
267D82.5Confident90.6Very high44 Ų4459.2 Ų59.224%0.23533%0.329CS..EExtended strand (participates in β ladder)trans-133.6146.7175.67562.5000109.4V269 N270 G271 R273D267-V269 PolarHBondContact O-N 3.35Å; D267-V269 PolarHBondContact OD1-N 2.69Å; D267-V269 VanDerWaalsContact OD1-N 3.13Å; D267-N270 WeakPolarHBondContact OD1-CA 3.37Å; D267-N270 VanDerWaalsContact OD1-CB 3.27Å; D267-N270 WeakPolarHBondContact OD1-CB 3.37Å; D267-N270 PolarHBondContact OD1-N 3.08Å; D267-N270 PolarHBondContact OD1-ND2 2.9Å; D267-N270 PolarHBondContact OD2-ND2 3.48Å; D267-G271 PolarHBondContact N-O 3.38Å; D267-G271 VanDerWaalsContact O-CA 3.24Å; D267-G271 WeakPolarHBondContact O-CA 3.47Å; D267-G271 PolarHBondContact O-N 3.47Å; D267-R273 IonicContact OD2-CZ 2.8Å; D267-R273 IonicContact OD2-NE 2.77Å; D267-R273 IonicContact OD2-NH2 3.77Å; D267-R273 PolarHBondContact OD2-NH2 3.39Å
268E79.7Confident90.7Very high206 Ų20654.6 Ų54.696%0.96331%0.309SS*.THydrogen-bonded Turntrans-61.3-21.4-173-65-173.4166.600113.2
269V80Confident90.7Very high130 Ų13056.1 Ų56.179%0.78831%0.31SS*.THydrogen-bonded Turntrans-94.1-47.2-170.2-179.80000111.8D267D267-V269 PolarHBondContact O-N 3.35Å; D267-V269 PolarHBondContact OD1-N 2.69Å; D267-V269 VanDerWaalsContact OD1-N 3.13Å
270N76Confident90.9Very high94 Ų9453.2 Ų53.250%0.50329%0.292SS..THydrogen-bonded Turntrans-102.5-7.1-174.5-51.4-60.9000112.3D267 R273D267-N270 WeakPolarHBondContact OD1-CA 3.37Å; D267-N270 VanDerWaalsContact OD1-CB 3.27Å; D267-N270 WeakPolarHBondContact OD1-CB 3.37Å; D267-N270 PolarHBondContact OD1-N 3.08Å; D267-N270 PolarHBondContact OD1-ND2 2.9Å; D267-N270 PolarHBondContact OD2-ND2 3.48Å; N270-R273 PolarHBondContact ND2-NH2 2.96Å
271G86.1Confident91Very high16 Ų1654.2 Ų54.217%0.16529%0.291CS..EExtended strand (participates in β ladder)trans66.3-156.8-17600000112.9D267D267-G271 PolarHBondContact N-O 3.38Å; D267-G271 VanDerWaalsContact O-CA 3.24Å; D267-G271 WeakPolarHBondContact O-CA 3.47Å; D267-G271 PolarHBondContact O-N 3.47Å
272R92.2Very high91Very high76 Ų7657.8 Ų57.829%0.28731%0.312SS..EExtended strand (participates in β ladder)trans-78.6124.4-177.3-71.818060.7-142-8111.3I264 L265 D266 E331 L353I264-R272 HydrophobicContact CG2-CB 4.4Å; L265-R272 CarbonylContact O-C 3.57Å; L265-R272 VanDerWaalsContact O-CA 3.27Å; L265-R272 WeakPolarHBondContact O-CA 3.23Å; D266-R272 HydrophobicContact CB-CG 4.06Å; D266-R272 VanDerWaalsContact CG-CG 3.42Å; D266-R272 WeakPolarHBondContact OD1-CG 3.26Å; D266-R272 WeakPolarHBondContact OD2-CG 3.2Å; R272-E331 IonicContact CZ-OE1 2.66Å; R272-E331 IonicContact NH1-OE1 3.71Å; R272-E331 PolarHBondContact NH1-OE1 3.31Å; R272-E331 IonicContact NH1-OE2 2.79Å; R272-E331 IonicContact NH2-OE1 3.66Å; R272-E331 PolarHBondContact NH2-OE1 3.25Å; R272-L353 HydrophobicContact CB-CD1 4.12Å; R272-L353 PolarHBondContact O-N 3.25Å
273R93.4Very high91Very high55 Ų5557.1 Ų57.121%0.20831%0.307CS..EExtended strand (participates in β ladder)trans-129.6142-179.4-60.4-174.9-74.9147.4-2110.5I264 L265 D267 N270 E350 A351I264-R273 WeakPolarHBondContact CA-O 3.36Å; L265-R273 HydrophobicContact CB-CB 4.48Å; L265-R273 PolarHBondContact N-O 3.13Å; L265-R273 PolarHBondContact O-N 3.31Å; D267-R273 IonicContact OD2-CZ 2.8Å; D267-R273 IonicContact OD2-NE 2.77Å; D267-R273 IonicContact OD2-NH2 3.77Å; D267-R273 PolarHBondContact OD2-NH2 3.39Å; N270-R273 PolarHBondContact ND2-NH2 2.96Å; R273-E350 IonicContact CZ-OE2 3.58Å; R273-E350 IonicContact NH1-OE2 3.21Å; R273-E350 PolarHBondContact NH1-OE2 2.83Å; R273-A351 CarbonylContact C-O 3.58Å; R273-A351 VanDerWaalsContact CA-O 3.32Å; R273-A351 WeakPolarHBondContact CA-O 3.22Å
274L95Very high90.9Very high1 Ų155.8 Ų55.81%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-74135.6165.3176.365.4000108.6P262 I264 V298 I329 L349 E350 A351 L353P262-L274 HydrophobicContact CB-CD1 3.83Å; I264-L274 HydrophobicContact CD1-CD1 4.12Å; L274-V298 HydrophobicContact CD2-CG2 3.55Å; L274-I329 HydrophobicContact CD1-CG2 3.62Å; L274-I329 HydrophobicContact CD2-CD1 4.24Å; L274-I329 HydrophobicContact CD2-CG2 3.81Å; L274-I329 HydrophobicContact CG-CG2 4.36Å; L274-L349 HydrophobicContact CD2-CD1 4.04Å; L274-L349 HydrophobicContact CG-CD1 4.44Å; L274-E350 WeakPolarHBondContact O-CA 3.06Å; L274-A351 PolarHBondContact N-O 3.41Å; L274-A351 PolarHBondContact O-N 3.36Å; L274-A351 VanDerWaalsContact O-N 3.11Å; L274-L353 HydrophobicContact CB-CD2 4.16Å
275H96.3Very high90.9Very high0 Ų058.3 Ų58.30%031%0.308CS..EExtended strand (participates in β ladder)trans-127.2129.7163.6176.3100.1000108V255 P262 I263 L265 E277 L349 E350V255-H275 PolarHBondContact O-CE1 2.94Å; V255-H275 VanDerWaalsContact O-CE1 3.3Å; P262-H275 CarbonylContact C-O 3.49Å; P262-H275 WeakPolarHBondContact CA-O 3.36Å; I263-H275 HydrophobicContact CD1-CB 4.31Å; I263-H275 HydrophobicContact CG1-CB 3.75Å; I263-H275 PolarHBondContact N-O 3.24Å; I263-H275 PolarHBondContact O-N 3.23Å; I263-H275 VanDerWaalsContact O-O 3.12Å; L265-H275 HydrophobicContact CD1-CB 3.65Å; L265-H275 HydrophobicContact CD2-CB 4.21Å; L265-H275 HydrophobicContact CG-CB 3.73Å; H275-E277 WeakPolarHBondContact NE2-CG 3.29Å; H275-E277 IonicContact NE2-OE1 3.51Å; H275-E277 PolarHBondContact NE2-OE1 3.32Å; H275-L349 WeakPolarHBondContact CA-O 3.36Å; H275-E350 HydrophobicContact CB-CG 4.07Å; H275-E350 IonicContact CE1-OE1 3.26Å; H275-E350 IonicContact CG-OE1 3.44Å; H275-E350 IonicContact ND1-OE1 2.76Å; H275-E350 PolarHBondContact ND1-OE1 3.49Å
276L96.7Very high90.9Very high0 Ų058.1 Ų58.10%031%0.308CS..EExtended strand (participates in β ladder)trans-138.1126.5-177.7164.460.6000109.4P262 I278 V298 Y327 V348 L349P262-L276 HydrophobicContact CB-CD1 4.39Å; L276-I278 HydrophobicContact CD1-CD1 4.16Å; L276-I278 HydrophobicContact CD1-CG1 3.79Å; L276-I278 HydrophobicContact CD2-CD1 4.09Å; L276-I278 HydrophobicContact CG-CD1 4.01Å; L276-I278 HydrophobicContact CG-CG1 4.03Å; L276-V298 HydrophobicContact CD2-CB 4.06Å; L276-V298 HydrophobicContact CD2-CG1 3.99Å; L276-Y327 HydrophobicContact CD1-CD1 4.01Å; L276-Y327 HydrophobicContact CD1-CD2 4.32Å; L276-Y327 HydrophobicContact CD1-CE1 4.25Å; L276-Y327 HydrophobicContact CD1-CG 4.04Å; L276-Y327 HydrophobicContact CD2-CD2 3.8Å; L276-Y327 HydrophobicContact CD2-CE2 4.49Å; L276-Y327 HydrophobicContact CD2-CG 3.93Å; L276-V348 WeakPolarHBondContact O-CA 3.42Å; L276-L349 HydrophobicContact CB-CD1 3.74Å; L276-L349 HydrophobicContact CB-CD2 4.29Å; L276-L349 HydrophobicContact CB-CG 3.8Å; L276-L349 HydrophobicContact CD2-CD1 4.23Å; L276-L349 HydrophobicContact CD2-CD2 3.89Å; L276-L349 HydrophobicContact CD2-CG 4.29Å; L276-L349 HydrophobicContact CG-CD1 4.38Å; L276-L349 HydrophobicContact CG-CD2 4.1Å; L276-L349 HydrophobicContact CG-CG 4.15Å; L276-L349 PolarHBondContact N-O 3.07Å; L276-L349 PolarHBondContact O-N 3.48Å
277E97Very high91Very high0 Ų055.9 Ų55.90%029%0.294CS..EExtended strand (participates in β ladder)trans-113.9136.3172.4-54.4-178.7-17600111.3K257 G258 V259 G261 H275 R346 L347 V348K257-E277 VanDerWaalsContact CA-OE1 3.3Å; K257-E277 WeakPolarHBondContact CA-OE1 3.31Å; K257-E277 WeakPolarHBondContact CB-OE1 3.21Å; K257-E277 PolarHBondContact N-OE1 2.91Å; G258-E277 WeakPolarHBondContact CA-OE2 3.4Å; G258-E277 PolarHBondContact N-OE1 2.9Å; G258-E277 PolarHBondContact N-OE2 3.25Å; V259-E277 PolarHBondContact N-OE2 3.15Å; V259-E277 WeakPolarHBondContact O-CB 3.27Å; G261-E277 PolarHBondContact N-O 3Å; H275-E277 WeakPolarHBondContact NE2-CG 3.29Å; H275-E277 IonicContact NE2-OE1 3.51Å; H275-E277 PolarHBondContact NE2-OE1 3.32Å; E277-R346 HydrophobicContact CB-CG 4.19Å; E277-R346 VanDerWaalsContact OE2-CD 3.29Å; E277-R346 WeakPolarHBondContact OE2-CD 3.18Å; E277-R346 IonicContact OE2-CZ 3.64Å; E277-R346 IonicContact OE2-NE 3.72Å; E277-R346 IonicContact OE2-NH1 2.89Å; E277-R346 PolarHBondContact OE2-NH1 2.84Å; E277-L347 CarbonylContact C-O 3.51Å; E277-L347 VanDerWaalsContact CA-O 3.28Å; E277-L347 WeakPolarHBondContact CA-O 3.27Å; E277-V348 HydrophobicContact CG-CG1 4.48Å; E277-V348 HydrophobicContact CG-CG2 4.39Å
278I94.8Very high91.5Very high3 Ų355.3 Ų55.32%0.01529%0.291CS..EExtended strand (participates in β ladder)trans-134.6125.2-179.7-56.1164.1000108.3L276 V280 V300 Y327 R346 L347L276-I278 HydrophobicContact CD1-CD1 4.16Å; L276-I278 HydrophobicContact CD1-CG1 3.79Å; L276-I278 HydrophobicContact CD2-CD1 4.09Å; L276-I278 HydrophobicContact CG-CD1 4.01Å; L276-I278 HydrophobicContact CG-CG1 4.03Å; I278-V280 PolarHBondContact O-N 3.09Å; I278-V300 HydrophobicContact CD1-CB 3.91Å; I278-V300 HydrophobicContact CD1-CG1 4.19Å; I278-V300 HydrophobicContact CD1-CG2 3.39Å; I278-Y327 HydrophobicContact CD1-CD2 4.03Å; I278-Y327 HydrophobicContact CD1-CE2 3.3Å; I278-Y327 HydrophobicContact CG1-CE2 3.85Å; I278-Y327 WeakPolarHBondContact CG2-OH 3.35Å; I278-R346 WeakPolarHBondContact O-CA 3.44Å; I278-L347 HydrophobicContact CB-CB 4.42Å; I278-L347 HydrophobicContact CD1-CD2 4.32Å; I278-L347 PolarHBondContact N-O 3.46Å; I278-L347 PolarHBondContact O-N 3.38Å
279P94.8Very high92.2Very high84 Ų8445.5 Ų45.555%0.54525%0.245SC..EExtended strand (participates in β ladder)trans-66130.1167.928.8-32.4000109.2
280V94.7Very high93Very high10 Ų1040 Ų406%0.06121%0.212CC..  trans-115135.8179.8178.80000108.6I278 Y284 L289 L342 N345 L347I278-V280 PolarHBondContact O-N 3.09Å; V280-Y284 HydrophobicContact CG1-CD2 3.99Å; V280-Y284 HydrophobicContact CG1-CG 4.25Å; V280-L289 HydrophobicContact CG1-CD1 4.06Å; V280-L289 HydrophobicContact CG1-CD2 3.99Å; V280-L289 HydrophobicContact CG2-CD1 4.36Å; V280-L342 HydrophobicContact CB-CD1 4.2Å; V280-L342 HydrophobicContact CG2-CD1 4.21Å; V280-N345 PolarHBondContact N-O 2.95Å; V280-L347 HydrophobicContact CG2-CB 3.67Å
281D94.3Very high94Very high96 Ų9635.6 Ų35.651%0.51319%0.188SC..  trans-61.9134.3174.5-171.1-70.3000110V283 Y284D281-V283 HydrophobicContact CB-CG1 4.15Å; D281-V283 PolarHBondContact O-N 3.14Å; D281-V283 WeakPolarHBondContact OD1-CB 3.45Å; D281-V283 VanDerWaalsContact OD1-CG1 3.26Å; D281-V283 WeakPolarHBondContact OD1-CG1 2.92Å; D281-V283 PolarHBondContact OD1-N 2.77Å; D281-Y284 HydrophobicContact CB-CD2 3.89Å; D281-Y284 HydrophobicContact CB-CE2 3.94Å; D281-Y284 WeakPolarHBondContact O-CD2 3.5Å; D281-Y284 PolarHBondContact O-N 3.27Å
282P92.9Very high94.5Very high89 Ų8935.4 Ų35.458%0.57818%0.183SC*.THydrogen-bonded Turntrans-58.1-13.4-177.8-22.631.7000115.3Y284P282-Y284 VanDerWaalsContact C-N 3.26Å; P282-Y284 PolarHBondContact O-N 3.01Å
283V92.7Very high94.5Very high41 Ų4132 Ų3225%0.24817%0.171CC..THydrogen-bonded Turntrans-63.9-31.5172.673.80000112.7D281 Y320 A321D281-V283 HydrophobicContact CB-CG1 4.15Å; D281-V283 PolarHBondContact O-N 3.14Å; D281-V283 WeakPolarHBondContact OD1-CB 3.45Å; D281-V283 VanDerWaalsContact OD1-CG1 3.26Å; D281-V283 WeakPolarHBondContact OD1-CG1 2.92Å; D281-V283 PolarHBondContact OD1-N 2.77Å; V283-Y320 HydrophobicContact CB-CE1 4.12Å; V283-Y320 HydrophobicContact CG1-CE1 4.39Å; V283-Y320 HydrophobicContact CG2-CD1 3.46Å; V283-Y320 VanDerWaalsContact CG2-CD1 3.46Å; V283-Y320 HydrophobicContact CG2-CE1 3.22Å; V283-A321 HydrophobicContact CG1-CB 4.2Å
284Y94Very high94.3Very high20 Ų2031.4 Ų31.48%0.07817%0.172CC..  trans-82.7126.1-177.1-61.8-77.7000110.9V280 D281 P282 D288 L289 G302 A321 E322 F323V280-Y284 HydrophobicContact CG1-CD2 3.99Å; V280-Y284 HydrophobicContact CG1-CG 4.25Å; D281-Y284 HydrophobicContact CB-CD2 3.89Å; D281-Y284 HydrophobicContact CB-CE2 3.94Å; D281-Y284 WeakPolarHBondContact O-CD2 3.5Å; D281-Y284 PolarHBondContact O-N 3.27Å; P282-Y284 VanDerWaalsContact C-N 3.26Å; P282-Y284 PolarHBondContact O-N 3.01Å; Y284-D288 HydrophobicContact CD1-CB 4.13Å; Y284-L289 HydrophobicContact CD1-CD2 4.44Å; Y284-L289 HydrophobicContact CG-CD2 4.14Å; Y284-G302 VanDerWaalsContact CE1-C 3.5Å; Y284-A321 HydrophobicContact CE1-CB 4.16Å; Y284-A321 HydrophobicContact CE2-CB 4.49Å; Y284-A321 VanDerWaalsContact OH-C 3.27Å; Y284-A321 WeakPolarHBondContact OH-CB 3.21Å; Y284-E322 PolarHBondContact OH-N 3.25Å; Y284-F323 HydrophobicContact CD1-CE1 4.24Å; Y284-F323 HydrophobicContact CD2-CD1 4.11Å; Y284-F323 AromaticContact CD2-CE1 3.8Å; Y284-F323 HydrophobicContact CD2-CE1 3.8Å; Y284-F323 AromaticContact CE1-CD1 3.95Å; Y284-F323 HydrophobicContact CE1-CD1 3.95Å; Y284-F323 HydrophobicContact CE1-CE1 4.14Å; Y284-F323 AromaticContact CE2-CD1 3.51Å; Y284-F323 HydrophobicContact CE2-CD1 3.51Å; Y284-F323 AromaticContact CE2-CE1 3.7Å; Y284-F323 HydrophobicContact CE2-CE1 3.7Å; Y284-F323 HydrophobicContact CG-CE1 4.08Å; Y284-F323 AromaticContact CZ-CD1 3.42Å; Y284-F323 VanDerWaalsContact CZ-CD1 3.42Å; Y284-F323 AromaticContact CZ-CE1 3.88Å
285K92.6Very high93.7Very high116 Ų11632.8 Ų32.850%0.50418%0.182SC..  trans-88.2163.9169.7-59.8-178.7-176176.60110.8E287 D288 L289K285-E287 VanDerWaalsContact CB-CD 3.5Å; K285-E287 HydrophobicContact CB-CG 4.14Å; K285-E287 WeakPolarHBondContact CB-OE2 3.49Å; K285-E287 VanDerWaalsContact CD-OE1 3.28Å; K285-E287 WeakPolarHBondContact CD-OE1 3.46Å; K285-E287 PolarHBondContact O-N 3.43Å; K285-D288 PolarHBondContact N-OD2 2.88Å; K285-D288 WeakPolarHBondContact O-CA 3.27Å; K285-D288 WeakPolarHBondContact O-CB 3.13Å; K285-D288 PolarHBondContact O-N 2.87Å; K285-L289 WeakPolarHBondContact O-CG 3.46Å; K285-L289 PolarHBondContact O-N 2.98Å
286P93.4Very high93.4Very high21 Ų2136.6 Ų36.614%0.13620%0.198CC..G310 helixtrans-53-39.8175.6-27.135.8000113.8H238 P239 D288 L289 L342H238-P286 PolarHBondContact ND1-O 3.24Å; P239-P286 WeakPolarHBondContact CD-O 3.34Å; P239-P286 HydrophobicContact CG-CB 4.26Å; P239-P286 WeakPolarHBondContact O-CB 3.49Å; P286-D288 VanDerWaalsContact C-N 3.26Å; P286-D288 PolarHBondContact O-N 2.85Å; P286-L289 PolarHBondContact O-N 3.14Å; P286-L342 HydrophobicContact CG-CB 4.34Å; P286-L342 HydrophobicContact CG-CD2 3.83Å
287E91.1Very high93.2Very high71 Ų7142.2 Ų42.233%0.33222%0.22SC..G310 helixtrans-68.2-20.5175.361.9-93.4-14700114.3H238 K285 L289H238-E287 PolarHBondContact CE1-O 3.14Å; H238-E287 PolarHBondContact ND1-O 3.05Å; K285-E287 VanDerWaalsContact CB-CD 3.5Å; K285-E287 HydrophobicContact CB-CG 4.14Å; K285-E287 WeakPolarHBondContact CB-OE2 3.49Å; K285-E287 VanDerWaalsContact CD-OE1 3.28Å; K285-E287 WeakPolarHBondContact CD-OE1 3.46Å; K285-E287 PolarHBondContact O-N 3.43Å; E287-L289 VanDerWaalsContact C-N 3.31Å
288D93.3Very high93.1Very high33 Ų3342.2 Ų42.218%0.17622%0.22CC..G310 helixtrans-81.9-14176.6-60.5-27.6000111.6Y284 K285 P286 G302 I303 S304Y284-D288 HydrophobicContact CD1-CB 4.13Å; K285-D288 PolarHBondContact N-OD2 2.88Å; K285-D288 WeakPolarHBondContact O-CA 3.27Å; K285-D288 WeakPolarHBondContact O-CB 3.13Å; K285-D288 PolarHBondContact O-N 2.87Å; P286-D288 VanDerWaalsContact C-N 3.26Å; P286-D288 PolarHBondContact O-N 2.85Å; D288-G302 CarbonylContact O-C 3.57Å; D288-G302 VanDerWaalsContact O-CA 3.23Å; D288-G302 WeakPolarHBondContact O-CA 3.41Å; D288-I303 WeakPolarHBondContact CB-O 3.31Å; D288-I303 PolarHBondContact O-N 3.09Å; D288-S304 PolarHBondContact OD2-OG 3.25Å
289L95.7Very high93.2Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-104138.2-172.8-62.5173.1000112H238 P239 V280 Y284 K285 P286 E287 S301 F323 L342H238-L289 PolarHBondContact CE1-O 2.81Å; H238-L289 PolarHBondContact ND1-O 2.96Å; P239-L289 HydrophobicContact CG-CB 3.89Å; P239-L289 HydrophobicContact CG-CD1 3.87Å; V280-L289 HydrophobicContact CG1-CD1 4.06Å; V280-L289 HydrophobicContact CG1-CD2 3.99Å; V280-L289 HydrophobicContact CG2-CD1 4.36Å; Y284-L289 HydrophobicContact CD1-CD2 4.44Å; Y284-L289 HydrophobicContact CG-CD2 4.14Å; K285-L289 WeakPolarHBondContact O-CG 3.46Å; K285-L289 PolarHBondContact O-N 2.98Å; P286-L289 PolarHBondContact O-N 3.14Å; E287-L289 VanDerWaalsContact C-N 3.31Å; L289-S301 CarbonylContact C-O 3.57Å; L289-S301 WeakPolarHBondContact CA-O 3.48Å; L289-F323 HydrophobicContact CD2-CE1 3.73Å; L289-F323 HydrophobicContact CD2-CZ 3.69Å; L289-L342 HydrophobicContact CD1-CD1 4.16Å; L289-L342 HydrophobicContact CD1-CD2 4.24Å
290C96Very high93.2Very high14 Ų1439 Ų3910%0.09520%0.199CC..EExtended strand (participates in β ladder)trans-131.9124.3174.4172.40000110.9T228 V300 S301T228-C290 HydrophobicContact CG2-CB 4.49Å; C290-V300 WeakPolarHBondContact O-CA 3.21Å; C290-S301 PolarHBondContact N-O 2.77Å; C290-S301 PolarHBondContact O-N 2.88Å; C290-S301 PolarHBondContact O-OG 3.43Å
291V97.2Very high93.3Very high1 Ų139.7 Ų39.71%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-99.8119.3170.5179.10000108.9G236 I237 V298 V299 V300 V338 A340 L347 L349G236-V291 CarbonylContact C-O 3.57Å; G236-V291 WeakPolarHBondContact CA-O 3.44Å; I237-V291 HydrophobicContact CB-CB 4.46Å; I237-V291 PolarHBondContact N-O 3.22Å; I237-V291 PolarHBondContact O-N 2.88Å; V291-V298 HydrophobicContact CG1-CG1 3.8Å; V291-V299 WeakPolarHBondContact CA-O 3.41Å; V291-V300 HydrophobicContact CG2-CG2 4.19Å; V291-V338 HydrophobicContact CG1-CG1 3.88Å; V291-A340 HydrophobicContact CG2-CB 4.26Å; V291-L347 HydrophobicContact CG2-CD1 4.49Å; V291-L347 HydrophobicContact CG2-CD2 3.87Å; V291-L349 HydrophobicContact CG1-CD2 3.82Å; V291-L349 HydrophobicContact CG2-CD2 4.11Å
292N95.6Very high93.4Very high12 Ų1235.1 Ų35.16%0.06418%0.179CC..EExtended strand (participates in β ladder)trans-130.1158.5173.873-79.5000111.1T230 L235 V299T230-N292 HydrophobicContact CG2-CB 4.12Å; L235-N292 WeakPolarHBondContact O-CB 3.27Å; N292-V299 PolarHBondContact N-O 3.35Å; N292-V299 PolarHBondContact O-N 2.83Å; N292-V299 WeakPolarHBondContact OD1-CB 3.45Å; N292-V299 WeakPolarHBondContact OD1-CG1 3.33Å; N292-V299 PolarHBondContact OD1-O 2.87Å
293V93.7Very high93.3Very high4 Ų433.4 Ų33.42%0.02416%0.164CC..EExtended strand (participates in β ladder)trans-108.1130.3179.5-177.20000108.7K133 R297 V333 P335 V338K133-V293 VanDerWaalsContact CB-O 3.27Å; K133-V293 WeakPolarHBondContact CB-O 3.37Å; V293-R297 WeakPolarHBondContact CA-O 3.34Å; V293-V333 HydrophobicContact CB-CG2 4.38Å; V293-V333 HydrophobicContact CG1-CG2 3.98Å; V293-V333 HydrophobicContact CG2-CG2 3.5Å; V293-V333 VanDerWaalsContact CG2-CG2 3.5Å; V293-P335 HydrophobicContact CB-CB 4.01Å; V293-P335 HydrophobicContact CB-CG 4.41Å; V293-P335 HydrophobicContact CG2-CB 3.84Å; V293-V338 HydrophobicContact CG2-CG2 3.94Å
294D89.1Confident93.2Very high44 Ų4432 Ų3224%0.23516%0.156CC..EExtended strand (participates in β ladder)trans-125.793.8173.3-1691.8000108.4K133 R234 K296 R297 V299K133-D294 WeakPolarHBondContact CD-OD1 3.22Å; K133-D294 WeakPolarHBondContact CE-OD1 3.49Å; K133-D294 IonicContact NZ-OD1 3.89Å; K133-D294 PolarHBondContact NZ-OD1 2.95Å; R234-D294 IonicContact CZ-OD1 2.8Å; R234-D294 IonicContact CZ-OD2 3.1Å; R234-D294 IonicContact NH1-OD1 2.95Å; R234-D294 PolarHBondContact NH1-OD1 2.77Å; R234-D294 IonicContact NH1-OD2 2.67Å; R234-D294 PolarHBondContact NH1-OD2 3.06Å; R234-D294 IonicContact NH2-OD1 3.28Å; D294-K296 PolarHBondContact O-N 3.19Å; D294-R297 PolarHBondContact N-O 2.78Å; D294-R297 WeakPolarHBondContact O-CB 3.32Å; D294-R297 PolarHBondContact O-N 2.8Å; D294-V299 HydrophobicContact CB-CG2 4.33Å
295S82.7Confident92.9Very high29 Ų2937.1 Ų37.120%0.20318%0.177CC..THydrogen-bonded Turntrans54.8-105.2-173.8-9.70000112.7D130 R297 T332D130-S295 WeakPolarHBondContact OD1-CA 3.28Å; D130-S295 WeakPolarHBondContact OD1-CB 3.24Å; D130-S295 PolarHBondContact OD1-N 2.89Å; D130-S295 PolarHBondContact OD1-OG 2.88Å; D130-S295 PolarHBondContact OD2-OG 3.43Å; S295-R297 VanDerWaalsContact C-N 3.34Å; S295-T332 WeakPolarHBondContact O-CB 3.45Å; S295-T332 PolarHBondContact O-OG1 3.03Å
296K88.2Confident92.3Very high80 Ų8036.3 Ų36.335%0.34818%0.175SC..THydrogen-bonded Turntrans-104.729.7-176.9-69.1-170.4178.1-162.20110.4D294 E328 I329 P330D294-K296 PolarHBondContact O-N 3.19Å; K296-E328 WeakPolarHBondContact O-CA 3.35Å; K296-I329 WeakPolarHBondContact CB-O 3.41Å; K296-I329 VanDerWaalsContact O-CG1 3.32Å; K296-I329 WeakPolarHBondContact O-CG1 3.26Å; K296-I329 PolarHBondContact O-N 3.27Å; K296-P330 PolarHBondContact NZ-O 2.89Å
297R93.3Very high91.1Very high119 Ų11943.4 Ų43.445%0.44920%0.203SC..EExtended strand (participates in β ladder)trans-135.3134.5178.9-62.2-178.2170.3179.7-4.1109.7V293 D294 S295 Y327 E328V293-R297 WeakPolarHBondContact CA-O 3.34Å; D294-R297 PolarHBondContact N-O 2.78Å; D294-R297 WeakPolarHBondContact O-CB 3.32Å; D294-R297 PolarHBondContact O-N 2.8Å; S295-R297 VanDerWaalsContact C-N 3.34Å; R297-Y327 CarbonylContact C-O 3.59Å; R297-Y327 VanDerWaalsContact CA-O 3.23Å; R297-Y327 WeakPolarHBondContact CA-O 3.41Å; R297-E328 HydrophobicContact CG-CG 4.3Å; R297-E328 IonicContact CZ-OE1 3.81Å; R297-E328 IonicContact NE-OE1 3.54Å; R297-E328 PolarHBondContact NE-OE1 2.6Å; R297-E328 IonicContact NH2-OE1 3.81Å; R297-E328 PolarHBondContact NH2-OE1 2.81Å
298V95.2Very high89.8Confident0 Ų044.3 Ų44.30%021%0.21CC..EExtended strand (participates in β ladder)trans-93.4124.6160.6-1800000107.5L274 L276 V291 V300 S326 Y327 I329 L349L274-V298 HydrophobicContact CD2-CG2 3.55Å; L276-V298 HydrophobicContact CD2-CB 4.06Å; L276-V298 HydrophobicContact CD2-CG1 3.99Å; V291-V298 HydrophobicContact CG1-CG1 3.8Å; V298-V300 HydrophobicContact CG1-CG2 4.17Å; V298-S326 WeakPolarHBondContact O-CA 3.26Å; V298-Y327 PolarHBondContact N-O 2.98Å; V298-Y327 PolarHBondContact O-N 3.24Å; V298-I329 HydrophobicContact CG2-CD1 4.08Å; V298-I329 HydrophobicContact CG2-CG2 4.26Å; V298-L349 HydrophobicContact CG1-CD2 4.02Å
299V96.1Very high88Confident20 Ų2048.5 Ų48.512%0.12124%0.242CC..EExtended strand (participates in β ladder)trans-106127.9176.7179.20000107.3V291 N292 D294 T324 H325V291-V299 WeakPolarHBondContact CA-O 3.41Å; N292-V299 PolarHBondContact N-O 3.35Å; N292-V299 PolarHBondContact O-N 2.83Å; N292-V299 WeakPolarHBondContact OD1-CB 3.45Å; N292-V299 WeakPolarHBondContact OD1-CG1 3.33Å; N292-V299 PolarHBondContact OD1-O 2.87Å; D294-V299 HydrophobicContact CB-CG2 4.33Å; V299-T324 HydrophobicContact CG1-CG2 3.79Å; V299-H325 CarbonylContact C-O 3.6Å; V299-H325 WeakPolarHBondContact CA-O 3.42Å
300V96.5Very high86.1Confident0 Ų050.9 Ų50.90%027%0.267CS..EExtended strand (participates in β ladder)trans-118.9119.7175.5-178.10000107.7I278 C290 V291 V298 F323 T324 H325 L347 L349I278-V300 HydrophobicContact CD1-CB 3.91Å; I278-V300 HydrophobicContact CD1-CG1 4.19Å; I278-V300 HydrophobicContact CD1-CG2 3.39Å; C290-V300 WeakPolarHBondContact O-CA 3.21Å; V291-V300 HydrophobicContact CG2-CG2 4.19Å; V298-V300 HydrophobicContact CG1-CG2 4.17Å; V300-F323 HydrophobicContact CB-CE2 4.48Å; V300-F323 HydrophobicContact CG1-CE2 3.91Å; V300-F323 HydrophobicContact CG1-CZ 4.12Å; V300-F323 WeakPolarHBondContact O-CE2 3.32Å; V300-T324 CarbonylContact O-C 3.59Å; V300-T324 WeakPolarHBondContact O-CA 3.41Å; V300-H325 PolarHBondContact N-O 2.94Å; V300-H325 PolarHBondContact O-N 3.43Å; V300-L347 HydrophobicContact CB-CD2 4.47Å; V300-L347 HydrophobicContact CG1-CD2 3.45Å; V300-L347 VanDerWaalsContact CG1-CD2 3.45Å; V300-L347 HydrophobicContact CG2-CD2 4.18Å; V300-L349 HydrophobicContact CG2-CD2 4.43Å
301S96.4Very high84.1Confident23 Ų2361.6 Ų61.616%0.16131%0.307CS..EExtended strand (participates in β ladder)trans-118.2150.117854.40000110.1L289 C290 F323L289-S301 CarbonylContact C-O 3.57Å; L289-S301 WeakPolarHBondContact CA-O 3.48Å; C290-S301 PolarHBondContact N-O 2.77Å; C290-S301 PolarHBondContact O-N 2.88Å; C290-S301 PolarHBondContact O-OG 3.43Å; S301-F323 CarbonylContact C-O 3.53Å; S301-F323 VanDerWaalsContact CA-O 3.27Å; S301-F323 WeakPolarHBondContact CA-O 3.41Å
302G94.8Very high82Confident0 Ų070.4 Ų70.40%035%0.346CS..EExtended strand (participates in β ladder)trans-138.6130.1173.400000109.6Y284 D288 E322 F323Y284-G302 VanDerWaalsContact CE1-C 3.5Å; D288-G302 CarbonylContact O-C 3.57Å; D288-G302 VanDerWaalsContact O-CA 3.23Å; D288-G302 WeakPolarHBondContact O-CA 3.41Å; G302-E322 CarbonylContact O-C 3.54Å; G302-E322 VanDerWaalsContact O-CA 3.23Å; G302-E322 WeakPolarHBondContact O-CA 3.38Å; G302-F323 PolarHBondContact N-O 3.29Å; G302-F323 PolarHBondContact O-N 3.32Å
303I92.6Very high79.9Confident53 Ų5378.5 Ų78.527%0.27239%0.389SS..EExtended strand (participates in β ladder)trans-131.3112176.4-64.7172.9000107.7D288 Y305 L319 E322D288-I303 WeakPolarHBondContact CB-O 3.31Å; D288-I303 PolarHBondContact O-N 3.09Å; I303-Y305 HydrophobicContact CG2-CD2 4.21Å; I303-Y305 HydrophobicContact CG2-CE2 3.52Å; I303-L319 HydrophobicContact CG2-CD1 3.55Å; I303-E322 HydrophobicContact CG1-CG 4.07Å
304S90.9Very high78Confident11 Ų1187.2 Ų87.28%0.07743%0.427CS..EExtended strand (participates in β ladder)trans-112.9134.9176.9-1660000110.5D288 Y320 A321D288-S304 PolarHBondContact OD2-OG 3.25Å; S304-Y320 WeakPolarHBondContact O-CB 3.48Å; S304-Y320 PolarHBondContact O-N 2.99Å; S304-A321 PolarHBondContact N-O 3.22Å; S304-A321 PolarHBondContact O-N 3.4Å
305Y85.9Confident76.2Confident129 Ų12995.4 Ų95.451%0.50646%0.46SS..EExtended strand (participates in β ladder)trans-109134176.9-61.8-91.2000111.5I303 S317 S318 L319I303-Y305 HydrophobicContact CG2-CD2 4.21Å; I303-Y305 HydrophobicContact CG2-CE2 3.52Å; Y305-S317 WeakPolarHBondContact CB-OG 3.39Å; Y305-S318 CarbonylContact C-O 3.58Å; Y305-S318 WeakPolarHBondContact CA-O 3.45Å; Y305-L319 HydrophobicContact CD1-CB 4.42Å; Y305-L319 HydrophobicContact CD1-CD1 4.48Å; Y305-L319 HydrophobicContact CE1-CB 4.39Å; Y305-L319 HydrophobicContact CE1-CD1 4.21Å
306Q79.8Confident75Confident99 Ų9997.5 Ų97.546%0.46348%0.475SS..EExtended strand (participates in β ladder)trans-86.1127.5169.5-173.916839.100109.2D308 S318 Y320Q306-D308 PolarHBondContact O-N 2.88Å; Q306-S318 PolarHBondContact N-O 3.39Å; Q306-S318 PolarHBondContact O-N 3Å; Q306-S318 VanDerWaalsContact O-N 3.11Å; Q306-Y320 HydrophobicContact CB-CD2 3.98Å; Q306-Y320 HydrophobicContact CB-CG 4.18Å; Q306-Y320 HydrophobicContact CG-CD2 4.5Å
307K69.7Low74.1Confident170 Ų17096.8 Ų96.874%0.73948%0.48SS*.EExtended strand (participates in β ladder)trans-80.8110.1170.6-70.6177.3-177.9168.30107.9S309K307-S309 PolarHBondContact O-N 2.89Å
308D62.5Low73.5Confident89 Ų8993.1 Ų93.148%0.47647%0.472SS..  trans-68.5106.3169.1-78.7-26.7000108.6Q306 G310 S316Q306-D308 PolarHBondContact O-N 2.88Å; D308-G310 PolarHBondContact O-N 3.16Å; D308-S316 PolarHBondContact N-O 2.79Å
309S56.8Low73Confident121 Ų12197.4 Ų97.485%0.84650%0.495SS*.  trans-77.358166.758.50000109.8K307K307-S309 PolarHBondContact O-N 2.89Å
310G54.4Low72.5Confident51 Ų51102.7 Ų102.753%0.52651%0.513SS..  trans-83.4137.5170.300000110.8D308 F312D308-G310 PolarHBondContact O-N 3.16Å; G310-F312 PolarHBondContact O-N 3.14Å
311Y54.3Low72.3Confident238 Ų238103.7 Ų103.793%0.93352%0.522SS*.SBendtrans-61.47.8-177.3-85.7-93000116.3
312F54.5Low72.2Confident186 Ų186108.1 Ų108.182%0.81654%0.54SS*.SBendtrans-108133.5178.1-72.4-80.9000110.4G310 K314G310-F312 PolarHBondContact O-N 3.14Å; F312-K314 PolarHBondContact O-N 3.14Å
313N50.9Low72.3Confident183 Ų183109.6 Ų109.698%0.97955%0.547SS*.SBendtrans-59.319.4-171.1-85.9-30.9000117.5
314K52.6Low72.4Confident187 Ų187111.1 Ų111.181%0.81356%0.558SS**  trans-106.4105.9169.4-121176.7178.3-179.40107.7F312 S316F312-K314 PolarHBondContact O-N 3.14Å; K314-S316 PolarHBondContact O-N 2.72Å
315K51.3Low72.6Confident216 Ų216115 Ų11594%0.93958%0.575SS**  trans-61.791.6164.5-71.5-174177.6-174.60107.4
316S59.1Low73Confident73 Ų73112.2 Ų112.251%0.5157%0.574SS.*  trans-91.6118.9168.2-1650000106.3D308 K314D308-S316 PolarHBondContact N-O 2.79Å; K314-S316 PolarHBondContact O-N 2.72Å
317S69.5Low73.8Confident64 Ų64109.7 Ų109.745%0.44856%0.561SS.*EExtended strand (participates in β ladder)trans-99.6114.9171.2-1610000105.4Y305Y305-S317 WeakPolarHBondContact CB-OG 3.39Å
318S80.5Confident74.9Confident42 Ų42108.1 Ų108.129%0.29456%0.556SS.*EExtended strand (participates in β ladder)trans-94.4140.5175.454.90000109.4Y305 Q306 Y320Y305-S318 CarbonylContact C-O 3.58Å; Y305-S318 WeakPolarHBondContact CA-O 3.45Å; Q306-S318 PolarHBondContact N-O 3.39Å; Q306-S318 PolarHBondContact O-N 3Å; Q306-S318 VanDerWaalsContact O-N 3.11Å; S318-Y320 PolarHBondContact O-N 2.81Å
319L83.1Confident76.3Confident90 Ų90104.3 Ų104.347%0.47154%0.536SS..EExtended strand (participates in β ladder)trans-58125.3170.1-17868.4000108.5I303 Y305 E322I303-L319 HydrophobicContact CG2-CD1 3.55Å; Y305-L319 HydrophobicContact CD1-CB 4.42Å; Y305-L319 HydrophobicContact CD1-CD1 4.48Å; Y305-L319 HydrophobicContact CE1-CB 4.39Å; Y305-L319 HydrophobicContact CE1-CD1 4.21Å; L319-E322 HydrophobicContact CD1-CB 4.47Å; L319-E322 HydrophobicContact CD2-CB 4.46Å
320Y87.3Confident77.7Confident131 Ų131101.5 Ų101.551%0.51452%0.515SS..EExtended strand (participates in β ladder)trans-102.3-47-178.3176.1-95.8000111.7V283 S304 Q306 S318V283-Y320 HydrophobicContact CB-CE1 4.12Å; V283-Y320 HydrophobicContact CG1-CE1 4.39Å; V283-Y320 HydrophobicContact CG2-CD1 3.46Å; V283-Y320 VanDerWaalsContact CG2-CD1 3.46Å; V283-Y320 HydrophobicContact CG2-CE1 3.22Å; S304-Y320 WeakPolarHBondContact O-CB 3.48Å; S304-Y320 PolarHBondContact O-N 2.99Å; Q306-Y320 HydrophobicContact CB-CD2 3.98Å; Q306-Y320 HydrophobicContact CB-CG 4.18Å; Q306-Y320 HydrophobicContact CG-CD2 4.5Å; S318-Y320 PolarHBondContact O-N 2.81Å
321A91.8Very high79.2Confident21 Ų21100.6 Ų100.617%0.17450%0.497CS..EExtended strand (participates in β ladder)trans-148.2142.6179.700000110.1V283 Y284 S304V283-A321 HydrophobicContact CG1-CB 4.2Å; Y284-A321 HydrophobicContact CE1-CB 4.16Å; Y284-A321 HydrophobicContact CE2-CB 4.49Å; Y284-A321 VanDerWaalsContact OH-C 3.27Å; Y284-A321 WeakPolarHBondContact OH-CB 3.21Å; S304-A321 PolarHBondContact N-O 3.22Å; S304-A321 PolarHBondContact O-N 3.4Å
322E94.6Very high80.8Confident117 Ų11790.1 Ų90.155%0.54746%0.458SS..EExtended strand (participates in β ladder)trans-138.5140.4174.7178.6176-170.800109.5Y284 G302 I303 L319Y284-E322 PolarHBondContact OH-N 3.25Å; G302-E322 CarbonylContact O-C 3.54Å; G302-E322 VanDerWaalsContact O-CA 3.23Å; G302-E322 WeakPolarHBondContact O-CA 3.38Å; I303-E322 HydrophobicContact CG1-CG 4.07Å; L319-E322 HydrophobicContact CD1-CB 4.47Å; L319-E322 HydrophobicContact CD2-CB 4.46Å
323F95.6Very high82.6Confident31 Ų3181.3 Ų81.314%0.13642%0.419CS..EExtended strand (participates in β ladder)trans-142.4157.1164.577.4-92.4000111.3Y284 L289 V300 S301 G302 H325Y284-F323 HydrophobicContact CD1-CE1 4.24Å; Y284-F323 HydrophobicContact CD2-CD1 4.11Å; Y284-F323 AromaticContact CD2-CE1 3.8Å; Y284-F323 HydrophobicContact CD2-CE1 3.8Å; Y284-F323 AromaticContact CE1-CD1 3.95Å; Y284-F323 HydrophobicContact CE1-CD1 3.95Å; Y284-F323 HydrophobicContact CE1-CE1 4.14Å; Y284-F323 AromaticContact CE2-CD1 3.51Å; Y284-F323 HydrophobicContact CE2-CD1 3.51Å; Y284-F323 AromaticContact CE2-CE1 3.7Å; Y284-F323 HydrophobicContact CE2-CE1 3.7Å; Y284-F323 HydrophobicContact CG-CE1 4.08Å; Y284-F323 AromaticContact CZ-CD1 3.42Å; Y284-F323 VanDerWaalsContact CZ-CD1 3.42Å; Y284-F323 AromaticContact CZ-CE1 3.88Å; L289-F323 HydrophobicContact CD2-CE1 3.73Å; L289-F323 HydrophobicContact CD2-CZ 3.69Å; V300-F323 HydrophobicContact CB-CE2 4.48Å; V300-F323 HydrophobicContact CG1-CE2 3.91Å; V300-F323 HydrophobicContact CG1-CZ 4.12Å; V300-F323 WeakPolarHBondContact O-CE2 3.32Å; S301-F323 CarbonylContact C-O 3.53Å; S301-F323 VanDerWaalsContact CA-O 3.27Å; S301-F323 WeakPolarHBondContact CA-O 3.41Å; G302-F323 PolarHBondContact N-O 3.29Å; G302-F323 PolarHBondContact O-N 3.32Å; F323-H325 AromaticContact CD2-CE1 3.92Å; F323-H325 AromaticContact CD2-ND1 3.2Å; F323-H325 WeakPolarHBondContact CD2-ND1 3.42Å; F323-H325 AromaticContact CE2-ND1 3.74Å
324T95.5Very high84.6Confident85 Ų8572.6 Ų72.652%0.52137%0.372SS..EExtended strand (participates in β ladder)trans-141.1125.3164.5-68.40000108.8V299 V300V299-T324 HydrophobicContact CG1-CG2 3.79Å; V300-T324 CarbonylContact O-C 3.59Å; V300-T324 WeakPolarHBondContact O-CA 3.41Å
325H94.7Very high86.5Confident93 Ų9363.9 Ų63.943%0.43134%0.335SS..EExtended strand (participates in β ladder)trans-118.8146.6173.3-71.798.1000109.8V299 V300 F323 Y327V299-H325 CarbonylContact C-O 3.6Å; V299-H325 WeakPolarHBondContact CA-O 3.42Å; V300-H325 PolarHBondContact N-O 2.94Å; V300-H325 PolarHBondContact O-N 3.43Å; F323-H325 AromaticContact CD2-CE1 3.92Å; F323-H325 AromaticContact CD2-ND1 3.2Å; F323-H325 WeakPolarHBondContact CD2-ND1 3.42Å; F323-H325 AromaticContact CE2-ND1 3.74Å; H325-Y327 HydrophobicContact CB-CE2 3.65Å
326S95.2Very high88.6Confident69 Ų6955 Ų5548%0.48330%0.298SS..EExtended strand (participates in β ladder)trans-128.1134.2176.8-59.40000110V298V298-S326 WeakPolarHBondContact O-CA 3.26Å
327Y95.3Very high90.2Very high46 Ų4654.2 Ų54.218%0.1829%0.287CS..EExtended strand (participates in β ladder)trans-122.8120.4-177.7-59.5-88.1000109.2L276 I278 R297 V298 H325L276-Y327 HydrophobicContact CD1-CD1 4.01Å; L276-Y327 HydrophobicContact CD1-CD2 4.32Å; L276-Y327 HydrophobicContact CD1-CE1 4.25Å; L276-Y327 HydrophobicContact CD1-CG 4.04Å; L276-Y327 HydrophobicContact CD2-CD2 3.8Å; L276-Y327 HydrophobicContact CD2-CE2 4.49Å; L276-Y327 HydrophobicContact CD2-CG 3.93Å; I278-Y327 HydrophobicContact CD1-CD2 4.03Å; I278-Y327 HydrophobicContact CD1-CE2 3.3Å; I278-Y327 HydrophobicContact CG1-CE2 3.85Å; I278-Y327 WeakPolarHBondContact CG2-OH 3.35Å; R297-Y327 CarbonylContact C-O 3.59Å; R297-Y327 VanDerWaalsContact CA-O 3.23Å; R297-Y327 WeakPolarHBondContact CA-O 3.41Å; V298-Y327 PolarHBondContact N-O 2.98Å; V298-Y327 PolarHBondContact O-N 3.24Å; H325-Y327 HydrophobicContact CB-CE2 3.65Å
328E93.7Very high91.4Very high137 Ų13751.6 Ų51.664%0.6427%0.269SS*.EExtended strand (participates in β ladder)trans-71.3139.4175.6-59.4-164.315200110.9K296 R297K296-E328 WeakPolarHBondContact O-CA 3.35Å; R297-E328 HydrophobicContact CG-CG 4.3Å; R297-E328 IonicContact CZ-OE1 3.81Å; R297-E328 IonicContact NE-OE1 3.54Å; R297-E328 PolarHBondContact NE-OE1 2.6Å; R297-E328 IonicContact NH2-OE1 3.81Å; R297-E328 PolarHBondContact NH2-OE1 2.81Å
329I91.3Very high92.1Very high9 Ų951.8 Ų51.85%0.04627%0.268CS..  trans-129.1148179.559.1169.8000109.7P262 L274 K296 V298 E331 V333P262-I329 HydrophobicContact CB-CG2 4.4Å; L274-I329 HydrophobicContact CD1-CG2 3.62Å; L274-I329 HydrophobicContact CD2-CD1 4.24Å; L274-I329 HydrophobicContact CD2-CG2 3.81Å; L274-I329 HydrophobicContact CG-CG2 4.36Å; K296-I329 WeakPolarHBondContact CB-O 3.41Å; K296-I329 VanDerWaalsContact O-CG1 3.32Å; K296-I329 WeakPolarHBondContact O-CG1 3.26Å; K296-I329 PolarHBondContact O-N 3.27Å; V298-I329 HydrophobicContact CG2-CD1 4.08Å; V298-I329 HydrophobicContact CG2-CG2 4.26Å; I329-E331 WeakPolarHBondContact CD1-O 3.42Å; I329-E331 VanDerWaalsContact CG1-O 3.31Å; I329-E331 WeakPolarHBondContact CG1-O 3.46Å; I329-E331 PolarHBondContact O-N 2.97Å; I329-V333 HydrophobicContact CD1-CG1 4.2Å
330P86.1Confident92.8Very high63 Ų6347.8 Ų47.841%0.40925%0.248SC..SBendtrans-67.3-36.9-171.724.6-33.7000113.2I264 K296 L353I264-P330 HydrophobicContact CD1-CG 3.83Å; I264-P330 HydrophobicContact CG1-CG 3.94Å; K296-P330 PolarHBondContact NZ-O 2.89Å; P330-L353 HydrophobicContact CG-CD1 4.31Å
331E86.8Confident93.2Very high32 Ų3241.8 Ų41.815%0.1522%0.224CC..SBendtrans-131.1150.9-177.9-78.1154.1-109.900108.6R272 I329 L353R272-E331 IonicContact CZ-OE1 2.66Å; R272-E331 IonicContact NH1-OE1 3.71Å; R272-E331 PolarHBondContact NH1-OE1 3.31Å; R272-E331 IonicContact NH1-OE2 2.79Å; R272-E331 IonicContact NH2-OE1 3.66Å; R272-E331 PolarHBondContact NH2-OE1 3.25Å; I329-E331 WeakPolarHBondContact CD1-O 3.42Å; I329-E331 VanDerWaalsContact CG1-O 3.31Å; I329-E331 WeakPolarHBondContact CG1-O 3.46Å; I329-E331 PolarHBondContact O-N 2.97Å; E331-L353 HydrophobicContact CB-CB 4.22Å; E331-L353 HydrophobicContact CB-CD1 4.5Å; E331-L353 HydrophobicContact CB-CD2 4.1Å; E331-L353 WeakPolarHBondContact O-CD2 3.19Å
332T87.9Confident93.4Very high18 Ų1841.7 Ų41.711%0.1122%0.221CC..  trans-70.3164176.2-176.80000110.5S295 L354S295-T332 WeakPolarHBondContact O-CB 3.45Å; S295-T332 PolarHBondContact O-OG1 3.03Å; T332-L354 HydrophobicContact CG2-CB 4.28Å; T332-L354 HydrophobicContact CG2-CD1 4.05Å; T332-L354 PolarHBondContact O-N 3.27Å
333V91.5Very high93.4Very high0 Ų038 Ų380%021%0.205CC..BIsolated β-bridgetrans-126.4152.7173-56.40000108.1V293 I329 P335 V338 A351 P352 L353V293-V333 HydrophobicContact CB-CG2 4.38Å; V293-V333 HydrophobicContact CG1-CG2 3.98Å; V293-V333 HydrophobicContact CG2-CG2 3.5Å; V293-V333 VanDerWaalsContact CG2-CG2 3.5Å; I329-V333 HydrophobicContact CD1-CG1 4.2Å; V333-P335 VanDerWaalsContact O-CD 3.24Å; V333-P335 WeakPolarHBondContact O-CD 3.41Å; V333-V338 HydrophobicContact CG2-CG2 3.88Å; V333-A351 HydrophobicContact CB-CB 3.95Å; V333-A351 HydrophobicContact CG1-CB 3.94Å; V333-A351 HydrophobicContact CG2-CB 4.12Å; V333-P352 WeakPolarHBondContact CG1-O 3.45Å; V333-L353 HydrophobicContact CG1-CD2 3.79Å
334D92.2Very high93.2Very high1 Ų144 Ų441%0.00524%0.238CC..  trans-69117.3166180-1.7000108.3Y136 P195 T197 L336 L337 L354Y136-D334 WeakPolarHBondContact CE2-OD1 3.2Å; Y136-D334 VanDerWaalsContact CZ-OD1 3.25Å; Y136-D334 PolarHBondContact OH-OD1 2.83Å; Y136-D334 PolarHBondContact OH-OD2 3.41Å; P195-D334 WeakPolarHBondContact CB-OD2 3.42Å; T197-D334 WeakPolarHBondContact CG2-OD2 3.44Å; T197-D334 PolarHBondContact OG1-OD2 3.32Å; D334-L336 PolarHBondContact O-N 2.83Å; D334-L336 VanDerWaalsContact O-N 3.09Å; D334-L336 PolarHBondContact OD1-N 2.92Å; D334-L336 VanDerWaalsContact OD1-N 3.09Å; D334-L337 HydrophobicContact CB-CB 4.23Å; D334-L337 HydrophobicContact CB-CD1 3.9Å; D334-L337 HydrophobicContact CB-CG 3.94Å; D334-L337 PolarHBondContact O-N 3.47Å; D334-L354 HydrophobicContact CB-CD1 4.44Å
335P94.6Very high93.1Very high4 Ų444 Ų443%0.02624%0.235CC..G310 helixtrans-58.7-23.1-179.116.3-25.4000113.7Y136 L235 V293 V333 L337 V338Y136-P335 HydrophobicContact CD2-CG 4.02Å; Y136-P335 HydrophobicContact CE2-CG 3.92Å; L235-P335 HydrophobicContact CD2-CB 4.02Å; L235-P335 HydrophobicContact CD2-CG 4.25Å; V293-P335 HydrophobicContact CB-CB 4.01Å; V293-P335 HydrophobicContact CB-CG 4.41Å; V293-P335 HydrophobicContact CG2-CB 3.84Å; V333-P335 VanDerWaalsContact O-CD 3.24Å; V333-P335 WeakPolarHBondContact O-CD 3.41Å; P335-L337 VanDerWaalsContact C-N 3.31Å; P335-V338 PolarHBondContact O-N 2.7Å
336L94.2Very high93.1Very high30 Ų3042.6 Ų42.616%0.15723%0.226CC..G310 helixtrans-73.4-19.9172.9-80.3176.7000114.8Y136 L144 T197 V219 I227 L235 D334 V338Y136-L336 HydrophobicContact CD1-CD1 3.62Å; Y136-L336 HydrophobicContact CD1-CG 4.32Å; Y136-L336 HydrophobicContact CD2-CD1 4.45Å; Y136-L336 HydrophobicContact CD2-CG 4.34Å; Y136-L336 HydrophobicContact CE1-CD1 3.28Å; Y136-L336 HydrophobicContact CE1-CG 4.14Å; Y136-L336 HydrophobicContact CE2-CD1 4.14Å; Y136-L336 HydrophobicContact CE2-CG 4.13Å; Y136-L336 HydrophobicContact CG-CD1 4.19Å; Y136-L336 HydrophobicContact CG-CG 4.4Å; L144-L336 HydrophobicContact CD2-CD1 4.09Å; L144-L336 HydrophobicContact CD2-CD2 3.6Å; L144-L336 HydrophobicContact CD2-CG 4.35Å; T197-L336 HydrophobicContact CG2-CB 4.03Å; V219-L336 HydrophobicContact CB-CD1 4.34Å; V219-L336 HydrophobicContact CG1-CD1 3.55Å; V219-L336 HydrophobicContact CG2-CD1 3.79Å; I227-L336 HydrophobicContact CD1-CD2 4.03Å; I227-L336 HydrophobicContact CG1-CD2 4.42Å; L235-L336 HydrophobicContact CD1-CD2 4.43Å; L235-L336 HydrophobicContact CD2-CB 4.45Å; L235-L336 HydrophobicContact CD2-CD2 3.54Å; L235-L336 HydrophobicContact CD2-CG 3.54Å; D334-L336 PolarHBondContact O-N 2.83Å; D334-L336 VanDerWaalsContact O-N 3.09Å; D334-L336 PolarHBondContact OD1-N 2.92Å; D334-L336 VanDerWaalsContact OD1-N 3.09Å; L336-V338 VanDerWaalsContact C-N 3.32Å
337L93.4Very high93.2Very high55 Ų5539.3 Ų39.329%0.28820%0.203SC..G310 helixtrans-91.51.1177.3-63.3179.3000112.4T197 D334 P335 T339 P352T197-L337 HydrophobicContact CG2-CD1 4.34Å; T197-L337 HydrophobicContact CG2-CD2 3.41Å; T197-L337 VanDerWaalsContact CG2-CD2 3.41Å; T197-L337 HydrophobicContact CG2-CG 3.7Å; D334-L337 HydrophobicContact CB-CB 4.23Å; D334-L337 HydrophobicContact CB-CD1 3.9Å; D334-L337 HydrophobicContact CB-CG 3.94Å; D334-L337 PolarHBondContact O-N 3.47Å; P335-L337 VanDerWaalsContact C-N 3.31Å; L337-T339 PolarHBondContact O-N 3.2Å; L337-P352 HydrophobicContact CB-CG 3.87Å; L337-P352 HydrophobicContact CD1-CG 3.61Å; L337-P352 HydrophobicContact CG-CG 4.34Å
338V94.9Very high93.3Very high10 Ų1037.1 Ų37.16%0.06119%0.194CC..  trans-72.9116.8174178.20000109.4I237 V291 V293 V333 P335 L336 L349 A351I237-V338 HydrophobicContact CG1-CB 4.32Å; V291-V338 HydrophobicContact CG1-CG1 3.88Å; V293-V338 HydrophobicContact CG2-CG2 3.94Å; V333-V338 HydrophobicContact CG2-CG2 3.88Å; P335-V338 PolarHBondContact O-N 2.7Å; L336-V338 VanDerWaalsContact C-N 3.32Å; V338-L349 HydrophobicContact CG1-CB 4.42Å; V338-A351 HydrophobicContact CB-CB 4.45Å; V338-A351 HydrophobicContact CG2-CB 3.88Å
339T94.8Very high93.4Very high45 Ų4530.6 Ų30.628%0.27616%0.164SC..EExtended strand (participates in β ladder)trans-96.8133167.655.90000108.7L337 L349 E350L337-T339 PolarHBondContact O-N 3.2Å; T339-L349 CarbonylContact O-C 3.58Å; T339-L349 WeakPolarHBondContact O-CA 3.4Å; T339-L349 VanDerWaalsContact O-CB 3.27Å; T339-L349 WeakPolarHBondContact O-CB 3.39Å; T339-E350 PolarHBondContact N-O 3.06Å; T339-E350 PolarHBondContact O-N 2.85Å; T339-E350 PolarHBondContact OG1-O 2.83Å
340A96.9Very high93.6Very high6 Ų631.1 Ų31.15%0.0517%0.166CC..EExtended strand (participates in β ladder)trans-137.1137-178.600000110.7I237 P239 K240 V291 L347 V348 L349I237-A340 HydrophobicContact CG2-CB 4.21Å; P239-A340 CarbonylContact C-O 3.57Å; P239-A340 WeakPolarHBondContact CA-O 3.23Å; P239-A340 HydrophobicContact CB-CB 3.99Å; K240-A340 PolarHBondContact N-O 3.3Å; V291-A340 HydrophobicContact CG2-CB 4.26Å; A340-L347 HydrophobicContact CB-CD1 4.26Å; A340-V348 CarbonylContact C-O 3.56Å; A340-V348 WeakPolarHBondContact CA-O 3.48Å; A340-L349 HydrophobicContact CB-CB 4.18Å
341Q96.8Very high94Very high5 Ų528.2 Ų28.22%0.02315%0.147CC..EExtended strand (participates in β ladder)trans-141135.1-177.4-66.1-175.51200109.7K240 I245 K252 L254 I343 V348K240-Q341 HydrophobicContact CB-CG 4.39Å; I245-Q341 HydrophobicContact CD1-CB 3.76Å; I245-Q341 HydrophobicContact CD1-CG 4.15Å; I245-Q341 HydrophobicContact CG1-CB 4.16Å; I245-Q341 HydrophobicContact CG1-CG 3.98Å; K252-Q341 PolarHBondContact O-NE2 3.32Å; L254-Q341 HydrophobicContact CB-CG 4.45Å; L254-Q341 HydrophobicContact CD1-CB 4.22Å; L254-Q341 HydrophobicContact CD1-CG 4.02Å; L254-Q341 HydrophobicContact CG-CG 4.13Å; Q341-I343 HydrophobicContact CB-CD1 4.26Å; Q341-I343 HydrophobicContact CB-CG1 4.18Å; Q341-V348 PolarHBondContact N-O 2.86Å; Q341-V348 PolarHBondContact O-N 2.82Å
342L96Very high94.3Very high20 Ų2029 Ų2911%0.10516%0.155CC..EExtended strand (participates in β ladder)trans-97107.9172.7-173.367000108.9P239 K240 V280 P286 L289 L347P239-L342 HydrophobicContact CB-CB 4.39Å; K240-L342 PolarHBondContact O-N 3.02Å; K240-L342 VanDerWaalsContact O-N 3.09Å; V280-L342 HydrophobicContact CB-CD1 4.2Å; V280-L342 HydrophobicContact CG2-CD1 4.21Å; P286-L342 HydrophobicContact CG-CB 4.34Å; P286-L342 HydrophobicContact CG-CD2 3.83Å; L289-L342 HydrophobicContact CD1-CD1 4.16Å; L289-L342 HydrophobicContact CD1-CD2 4.24Å; L342-L347 HydrophobicContact CD1-CB 4.37Å
343I94.5Very high94.4Very high40 Ų4028.6 Ų28.621%0.20515%0.152CC..EExtended strand (participates in β ladder)trans-118.5114.1-176.1-56.3169.9000107.8I245 V256 Q341 N345 R346 V348I245-I343 HydrophobicContact CD1-CG1 4Å; V256-I343 HydrophobicContact CG2-CB 4.17Å; V256-I343 HydrophobicContact CG2-CD1 4.13Å; V256-I343 HydrophobicContact CG2-CG2 4.05Å; Q341-I343 HydrophobicContact CB-CD1 4.26Å; Q341-I343 HydrophobicContact CB-CG1 4.18Å; I343-N345 PolarHBondContact O-N 2.88Å; I343-R346 PolarHBondContact N-O 2.82Å; I343-R346 WeakPolarHBondContact O-CA 3.45Å; I343-R346 VanDerWaalsContact O-CB 3.26Å; I343-R346 WeakPolarHBondContact O-CB 3.4Å; I343-R346 PolarHBondContact O-N 3.31Å; I343-V348 HydrophobicContact CD1-CG2 4.23Å
344D91.5Very high94Very high157 Ų15731.1 Ų31.184%0.8417%0.166SC*.THydrogen-bonded Turntrans46.753.2177.2-60.4-34.6000114R346D344-R346 PolarHBondContact O-N 2.81Å
345N92.9Very high92.9Very high84 Ų8437.7 Ų37.745%0.44919%0.194SC..THydrogen-bonded Turntrans61.921.4-177.6-52.6-31000114.6V280 I343V280-N345 PolarHBondContact N-O 2.95Å; I343-N345 PolarHBondContact O-N 2.88Å
346R95Very high91.2Very high63 Ų6343 Ų4324%0.23821%0.214CC..EExtended strand (participates in β ladder)trans-120.4118.3172.9-174.6178.4-69.4-82.8-14.2109.1E277 I278 I343 D344 V348E277-R346 HydrophobicContact CB-CG 4.19Å; E277-R346 VanDerWaalsContact OE2-CD 3.29Å; E277-R346 WeakPolarHBondContact OE2-CD 3.18Å; E277-R346 IonicContact OE2-CZ 3.64Å; E277-R346 IonicContact OE2-NE 3.72Å; E277-R346 IonicContact OE2-NH1 2.89Å; E277-R346 PolarHBondContact OE2-NH1 2.84Å; I278-R346 WeakPolarHBondContact O-CA 3.44Å; I343-R346 PolarHBondContact N-O 2.82Å; I343-R346 WeakPolarHBondContact O-CA 3.45Å; I343-R346 VanDerWaalsContact O-CB 3.26Å; I343-R346 WeakPolarHBondContact O-CB 3.4Å; I343-R346 PolarHBondContact O-N 3.31Å; D344-R346 PolarHBondContact O-N 2.81Å; R346-V348 HydrophobicContact CG-CG2 4.25Å; R346-V348 PolarHBondContact O-N 2.75Å
347L97.1Very high89.2Confident0 Ų047.5 Ų47.50%023%0.233CC..EExtended strand (participates in β ladder)trans-76.3119.3169.717562.9000108P239 E277 I278 V280 V291 V300 A340 L342P239-L347 HydrophobicContact CB-CD1 3.56Å; P239-L347 HydrophobicContact CG-CD1 3.9Å; E277-L347 CarbonylContact C-O 3.51Å; E277-L347 VanDerWaalsContact CA-O 3.28Å; E277-L347 WeakPolarHBondContact CA-O 3.27Å; I278-L347 HydrophobicContact CB-CB 4.42Å; I278-L347 HydrophobicContact CD1-CD2 4.32Å; I278-L347 PolarHBondContact N-O 3.46Å; I278-L347 PolarHBondContact O-N 3.38Å; V280-L347 HydrophobicContact CG2-CB 3.67Å; V291-L347 HydrophobicContact CG2-CD1 4.49Å; V291-L347 HydrophobicContact CG2-CD2 3.87Å; V300-L347 HydrophobicContact CB-CD2 4.47Å; V300-L347 HydrophobicContact CG1-CD2 3.45Å; V300-L347 VanDerWaalsContact CG1-CD2 3.45Å; V300-L347 HydrophobicContact CG2-CD2 4.18Å; A340-L347 HydrophobicContact CB-CD1 4.26Å; L342-L347 HydrophobicContact CD1-CB 4.37Å
348V97.2Very high86.7Confident0 Ų050.5 Ų50.50%025%0.254CS..EExtended strand (participates in β ladder)trans-111.7131.7172.8-171.10000107.7L254 V256 L276 E277 A340 Q341 I343 R346L254-V348 HydrophobicContact CB-CB 4.35Å; L254-V348 HydrophobicContact CB-CG1 3.92Å; L254-V348 HydrophobicContact CD1-CB 4.32Å; L254-V348 HydrophobicContact CD1-CG1 4.12Å; L254-V348 VanDerWaalsContact CD1-O 3.29Å; L254-V348 WeakPolarHBondContact CD1-O 3.45Å; V256-V348 HydrophobicContact CG2-CG2 3.72Å; L276-V348 WeakPolarHBondContact O-CA 3.42Å; E277-V348 HydrophobicContact CG-CG1 4.48Å; E277-V348 HydrophobicContact CG-CG2 4.39Å; A340-V348 CarbonylContact C-O 3.56Å; A340-V348 WeakPolarHBondContact CA-O 3.48Å; Q341-V348 PolarHBondContact N-O 2.86Å; Q341-V348 PolarHBondContact O-N 2.82Å; I343-V348 HydrophobicContact CD1-CG2 4.23Å; R346-V348 HydrophobicContact CG-CG2 4.25Å; R346-V348 PolarHBondContact O-N 2.75Å
349L96.5Very high83.9Confident0 Ų052.9 Ų52.90%027%0.269CS..EExtended strand (participates in β ladder)trans-133.7144.5172.566.291.8000112.1L274 H275 L276 V291 V298 V300 V338 T339 A340L274-L349 HydrophobicContact CD2-CD1 4.04Å; L274-L349 HydrophobicContact CG-CD1 4.44Å; H275-L349 WeakPolarHBondContact CA-O 3.36Å; L276-L349 HydrophobicContact CB-CD1 3.74Å; L276-L349 HydrophobicContact CB-CD2 4.29Å; L276-L349 HydrophobicContact CB-CG 3.8Å; L276-L349 HydrophobicContact CD2-CD1 4.23Å; L276-L349 HydrophobicContact CD2-CD2 3.89Å; L276-L349 HydrophobicContact CD2-CG 4.29Å; L276-L349 HydrophobicContact CG-CD1 4.38Å; L276-L349 HydrophobicContact CG-CD2 4.1Å; L276-L349 HydrophobicContact CG-CG 4.15Å; L276-L349 PolarHBondContact N-O 3.07Å; L276-L349 PolarHBondContact O-N 3.48Å; V291-L349 HydrophobicContact CG1-CD2 3.82Å; V291-L349 HydrophobicContact CG2-CD2 4.11Å; V298-L349 HydrophobicContact CG1-CD2 4.02Å; V300-L349 HydrophobicContact CG2-CD2 4.43Å; V338-L349 HydrophobicContact CG1-CB 4.42Å; T339-L349 CarbonylContact O-C 3.58Å; T339-L349 WeakPolarHBondContact O-CA 3.4Å; T339-L349 VanDerWaalsContact O-CB 3.27Å; T339-L349 WeakPolarHBondContact O-CB 3.39Å; A340-L349 HydrophobicContact CB-CB 4.18Å
350E95.9Very high80.9Confident21 Ų2154.5 Ų54.510%0.09828%0.282CS..EExtended strand (participates in β ladder)trans-132144170.6-69.4-167.2178.800111.7L254 L265 R273 L274 H275 T339L254-E350 HydrophobicContact CD2-CB 3.83Å; L254-E350 HydrophobicContact CD2-CG 3.81Å; L265-E350 WeakPolarHBondContact CD1-OE1 3.18Å; R273-E350 IonicContact CZ-OE2 3.58Å; R273-E350 IonicContact NH1-OE2 3.21Å; R273-E350 PolarHBondContact NH1-OE2 2.83Å; L274-E350 WeakPolarHBondContact O-CA 3.06Å; H275-E350 HydrophobicContact CB-CG 4.07Å; H275-E350 IonicContact CE1-OE1 3.26Å; H275-E350 IonicContact CG-OE1 3.44Å; H275-E350 IonicContact ND1-OE1 2.76Å; H275-E350 PolarHBondContact ND1-OE1 3.49Å; T339-E350 PolarHBondContact N-O 3.06Å; T339-E350 PolarHBondContact O-N 2.85Å; T339-E350 PolarHBondContact OG1-O 2.83Å
351A94.3Very high77.9Confident2 Ų261.3 Ų61.32%0.01731%0.312CS..EExtended strand (participates in β ladder)trans-152.6143.9174.400000111.3R273 L274 V333 V338R273-A351 CarbonylContact C-O 3.58Å; R273-A351 VanDerWaalsContact CA-O 3.32Å; R273-A351 WeakPolarHBondContact CA-O 3.22Å; L274-A351 PolarHBondContact N-O 3.41Å; L274-A351 PolarHBondContact O-N 3.36Å; L274-A351 VanDerWaalsContact O-N 3.11Å; V333-A351 HydrophobicContact CB-CB 3.95Å; V333-A351 HydrophobicContact CG1-CB 3.94Å; V333-A351 HydrophobicContact CG2-CB 4.12Å; V338-A351 HydrophobicContact CB-CB 4.45Å; V338-A351 HydrophobicContact CG2-CB 3.88Å
352P92.8Very high74.8Confident47 Ų4771 Ų7131%0.30535%0.35SS..EExtended strand (participates in β ladder)trans-66.3133.9171.428.6-32.6000111.1V333 L337V333-P352 WeakPolarHBondContact CG1-O 3.45Å; L337-P352 HydrophobicContact CB-CG 3.87Å; L337-P352 HydrophobicContact CD1-CG 3.61Å; L337-P352 HydrophobicContact CG-CG 4.34Å
353L90.3Very high71.8Confident11 Ų1175.3 Ų75.36%0.05838%0.382CS..BIsolated β-bridgetrans-73.9133.3172.4-68177.4000109.4I264 R272 L274 P330 E331 V333 K355I264-L353 HydrophobicContact CD1-CD1 3.82Å; I264-L353 HydrophobicContact CG1-CD1 4.38Å; I264-L353 HydrophobicContact CG2-CD1 3.96Å; R272-L353 HydrophobicContact CB-CD1 4.12Å; R272-L353 PolarHBondContact O-N 3.25Å; L274-L353 HydrophobicContact CB-CD2 4.16Å; P330-L353 HydrophobicContact CG-CD1 4.31Å; E331-L353 HydrophobicContact CB-CB 4.22Å; E331-L353 HydrophobicContact CB-CD1 4.5Å; E331-L353 HydrophobicContact CB-CD2 4.1Å; E331-L353 WeakPolarHBondContact O-CD2 3.19Å; V333-L353 HydrophobicContact CG1-CD2 3.79Å; L353-K355 PolarHBondContact O-N 3.21Å; L353-K355 VanDerWaalsContact O-N 3.12Å
354L83.1Confident69Low53 Ų5384.9 Ų84.928%0.27743%0.431SS..  trans-74.2104.9173.6-66175.5000108.5L132 T332 D334 R356L132-L354 HydrophobicContact CD1-CD1 3.28Å; T332-L354 HydrophobicContact CG2-CB 4.28Å; T332-L354 HydrophobicContact CG2-CD1 4.05Å; T332-L354 PolarHBondContact O-N 3.27Å; D334-L354 HydrophobicContact CB-CD1 4.44Å; L354-R356 PolarHBondContact O-N 2.76Å
355K68.1Low67.9Low139 Ų13981.3 Ų81.360%0.60441%0.41SS*.  trans-59.5128176.8-69.9-175.4-178.2179.20108.6L353 H357L353-K355 PolarHBondContact O-N 3.21Å; L353-K355 VanDerWaalsContact O-N 3.12Å; K355-H357 PolarHBondContact O-N 2.72Å; K355-H357 VanDerWaalsContact O-N 3.16Å
356R58.6Low66.6Low116 Ų11681.1 Ų81.144%0.43841%0.408SS..  trans-64.4116.7157.5-75.3-179.2173.6-176.8-5.3107.5N129 L354 T358N129-R356 VanDerWaalsContact CG-NH2 3.33Å; N129-R356 PolarHBondContact ND2-NH2 2.99Å; N129-R356 PolarHBondContact OD1-NE 2.77Å; N129-R356 VanDerWaalsContact OD1-NE 3.15Å; N129-R356 PolarHBondContact OD1-NH2 3.26Å; L354-R356 PolarHBondContact O-N 2.76Å; R356-T358 VanDerWaalsContact C-N 3.26Å; R356-T358 PolarHBondContact O-N 2.8Å; R356-T358 PolarHBondContact O-OG1 2.81Å
357H51.9Low65Low123 Ų12382.1 Ų82.157%0.56942%0.418SS*.  trans-56.399164.4-81-89.8000107.5E193 K355E193-H357 IonicContact OE1-CD2 3.84Å; E193-H357 PolarHBondContact OE1-CD2 2.94Å; E193-H357 VanDerWaalsContact OE1-CD2 3.23Å; K355-H357 PolarHBondContact O-N 2.72Å; K355-H357 VanDerWaalsContact O-N 3.16Å
358T41Very low63.1Low119 Ų11986.9 Ų86.973%0.7344%0.442SS*.  trans-98.8107.7167-35.60000102.9R356 S360R356-T358 VanDerWaalsContact C-N 3.26Å; R356-T358 PolarHBondContact O-N 2.8Å; R356-T358 PolarHBondContact O-OG1 2.81Å; T358-S360 PolarHBondContact O-N 2.65Å
359V36.6Very low60.9Low59 Ų5992.4 Ų92.436%0.35847%0.47SS..  trans-58.4110.3171.1179.10000106D98 H361D98-V359 HydrophobicContact CB-CG2 4.12Å; V359-H361 PolarHBondContact O-N 2.89Å
360S31.1Very low58.6Low79 Ų7998.5 Ų98.555%0.55250%0.501SS*.  trans-62.9108.9172.541.70000106.9T358 Y362T358-S360 PolarHBondContact O-N 2.65Å; S360-Y362 VanDerWaalsContact C-N 3.31Å; S360-Y362 PolarHBondContact O-N 3.07Å
361H35.7Very low55.9Low150 Ų150104.1 Ų104.169%0.69453%0.53SS*.  trans-62.797.6168.1-81.3-81.9000107.7V359 S363V359-H361 PolarHBondContact O-N 2.89Å; H361-S363 VanDerWaalsContact C-N 3.35Å; H361-S363 PolarHBondContact O-N 3.42Å; H361-S363 VanDerWaalsContact O-N 3.17Å
362Y31.8Very low53Low209 Ų209111.9 Ų111.982%0.8257%0.57SS**  trans-71.6100.6154.1-74.7-83000106.3S360 I364S360-Y362 VanDerWaalsContact C-N 3.31Å; S360-Y362 PolarHBondContact O-N 3.07Å; Y362-I364 PolarHBondContact O-N 2.84Å
363S32.3Very low49.7Very low110 Ų110117.3 Ų117.377%0.76959%0.592SS**  trans-54.5128.4157.6-59.50000107.5H361H361-S363 VanDerWaalsContact C-N 3.35Å; H361-S363 PolarHBondContact O-N 3.42Å; H361-S363 VanDerWaalsContact O-N 3.17Å
364I35.3Very low46Very low240 Ų240127 Ų127100%1.23164%0.64SS**  trans-52.80177.5-62.1170.8000110.7Y362Y362-I364 PolarHBondContact O-N 2.84Å

Retrieved 364 of 364 residues in 122.2 ms (Link to these results)

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