G4VEV6_SCHMA Loading...

Pepsin A

AlphaFold DB , UniProt , Accession G4VEV6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 428 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
1M43.5Very low47Very low225 Ų225147.3 Ų147.3100%1.10877%0.771SS**  087.80-85.9169.459.700108.6
2L42.2Very low48.2Very low173 Ų173140.8 Ų140.891%0.90676%0.755SS**  trans-91.5112.7163.3-105.186000106.5L4L2-L4 PolarHBondContact O-N 3.41Å
3L43.1Very low49.8Very low145 Ų145134.6 Ų134.676%0.75973%0.729SS**  trans-73.7108.7169.5-107.395.8000108.1V5L3-V5 PolarHBondContact O-N 2.92Å
4L45.4Very low51.8Low149 Ų149130.8 Ų130.878%0.7870%0.704SS**  trans-77.4103.4164.2-14192.7000107.2L2 L6L2-L4 PolarHBondContact O-N 3.41Å; L4-L6 HydrophobicContact CD2-CD1 4.25Å; L4-L6 PolarHBondContact O-N 3.34Å; L4-L6 VanDerWaalsContact O-N 3.15Å
5V48.5Very low54.1Low110 Ų110125.4 Ų125.467%0.66768%0.677SS**  trans-76.796.9170.3177.80000107.2L3 L7L3-V5 PolarHBondContact O-N 2.92Å; V5-L7 HydrophobicContact CG1-CG 4.39Å; V5-L7 PolarHBondContact O-N 2.87Å
6L48.7Very low56.4Low136 Ų136118 Ų11871%0.71264%0.638SS**  trans-68.697.6164.5-106.2116.2000108L4 L8L4-L6 HydrophobicContact CD2-CD1 4.25Å; L4-L6 PolarHBondContact O-N 3.34Å; L4-L6 VanDerWaalsContact O-N 3.15Å; L6-L8 PolarHBondContact O-N 3.17Å
7L46Very low58.6Low136 Ų136119.5 Ų119.571%0.71263%0.632SS**  trans-69.482.8162.7-89.4152.5000108.3V5 H9V5-L7 HydrophobicContact CG1-CG 4.39Å; V5-L7 PolarHBondContact O-N 2.87Å; L7-H9 VanDerWaalsContact C-N 3.31Å; L7-H9 PolarHBondContact O-N 2.73Å; L7-H9 PolarHBondContact O-ND1 3.24Å
8L45.7Very low60.4Low139 Ų139113.3 Ų113.373%0.72860%0.599SS**  trans-59.698.2160.7-87150.2000107.1L6 L10L6-L8 PolarHBondContact O-N 3.17Å; L8-L10 PolarHBondContact O-N 3.17Å
9H48.7Very low62Low158 Ų158110.8 Ų110.873%0.73159%0.59SS**  trans-65.994.1163-74.863.2000106L7 V11L7-H9 VanDerWaalsContact C-N 3.31Å; L7-H9 PolarHBondContact O-N 2.73Å; L7-H9 PolarHBondContact O-ND1 3.24Å; H9-V11 PolarHBondContact O-N 2.88Å
10L48.7Very low63.4Low161 Ų161105.4 Ų105.484%0.84356%0.561SS**  trans-61.195.9161.6-93.8119.7000106.1L8 A12L8-L10 PolarHBondContact O-N 3.17Å; L10-A12 VanDerWaalsContact C-N 3.28Å; L10-A12 PolarHBondContact O-N 3.02Å
11V56.5Low64.4Low88 Ų88103.4 Ų103.453%0.53355%0.548SS..  trans-64.2101.1161.1179.40000104.3H9 S13 I199H9-V11 PolarHBondContact O-N 2.88Å; V11-S13 PolarHBondContact O-N 2.96Å; V11-I199 HydrophobicContact CG1-CG2 3.77Å
12A61.9Low66Low70 Ų7094.3 Ų94.358%0.57951%0.506SS*.  trans-62.7111.9175.900000106.8L10L10-A12 VanDerWaalsContact C-N 3.28Å; L10-A12 PolarHBondContact O-N 3.02Å
13S68.6Low67.6Low60 Ų6087 Ų8742%0.4247%0.468SS..  trans-70.1129.6171.856.30000107.8V11V11-S13 PolarHBondContact O-N 2.96Å
14E78.4Confident69Low81 Ų8184.7 Ų84.738%0.37945%0.452SS..BIsolated β-bridgetrans-118.6153-173.7-75.7-173.5168.600111.6S147 L148 I199 E201E14-S147 WeakPolarHBondContact OE2-CB 3.38Å; E14-S147 PolarHBondContact OE2-OG 3.31Å; E14-L148 HydrophobicContact CB-CD2 4.11Å; E14-I199 PolarHBondContact N-O 2.85Å; E14-E201 PolarHBondContact O-N 3.4Å
15V85.7Confident70.2Confident50 Ų5077.7 Ų77.730%0.30342%0.415SS..  trans-97.4125.9162.7163.50000107.5E201 M222 I223V15-E201 HydrophobicContact CG2-CB 3.98Å; V15-E201 WeakPolarHBondContact CG2-OE2 3.4Å; V15-M222 HydrophobicContact CB-CE 4.44Å; V15-M222 HydrophobicContact CG1-CE 3.13Å; V15-M222 HydrophobicContact CG1-CG 4.03Å; V15-M222 HydrophobicContact CG1-SD 4.36Å; V15-I223 WeakPolarHBondContact CA-O 3.29Å
16V91.4Very high71.2Confident7 Ų772.9 Ų72.94%0.04239%0.387CS..EExtended strand (participates in β ladder)trans-119.5135.3178.9168.50000110.9I18 S147 L148 M222 I223V16-I18 HydrophobicContact CG1-CD1 3.46Å; V16-I18 VanDerWaalsContact CG1-CD1 3.46Å; V16-I18 HydrophobicContact CG1-CG1 4.03Å; V16-S147 WeakPolarHBondContact CG2-OG 3.15Å; V16-L148 HydrophobicContact CB-CD1 4.09Å; V16-L148 HydrophobicContact CB-CG 4.11Å; V16-L148 HydrophobicContact CG2-CD1 4.12Å; V16-L148 HydrophobicContact CG2-CD2 4.14Å; V16-L148 HydrophobicContact CG2-CG 3.61Å; V16-M222 CarbonylContact O-C 3.33Å; V16-M222 WeakPolarHBondContact O-CA 3.41Å; V16-I223 PolarHBondContact N-O 3.26Å; V16-I223 PolarHBondContact O-N 3.45Å
17R92.6Very high72.1Confident144 Ų14466.5 Ų66.554%0.54335%0.354SS..EExtended strand (participates in β ladder)trans-105.9126.4173.7-62.3-179.6176.7108.7-3.2109.2E220 D227R17-E220 HydrophobicContact CB-CG 4.23Å; R17-E220 WeakPolarHBondContact CD-OE1 3.42Å; R17-E220 WeakPolarHBondContact CG-OE1 2.94Å; R17-E220 IonicContact NE-OE1 3.74Å; R17-D227 IonicContact CZ-OD2 3.35Å; R17-D227 IonicContact NE-OD2 2.9Å; R17-D227 PolarHBondContact NE-OD2 2.95Å; R17-D227 IonicContact NH2-OD2 2.91Å; R17-D227 PolarHBondContact NH2-OD2 3.2Å
18I91.5Very high73.4Confident8 Ų861 Ų614%0.04132%0.324CS..EExtended strand (participates in β ladder)trans-113.6114.5179.2-54.6-62.4000107.6V16 L20 F83 L145 E220 L221V16-I18 HydrophobicContact CG1-CD1 3.46Å; V16-I18 VanDerWaalsContact CG1-CD1 3.46Å; V16-I18 HydrophobicContact CG1-CG1 4.03Å; I18-L20 PolarHBondContact O-N 3.14Å; I18-F83 HydrophobicContact CG2-CE2 4.03Å; I18-F83 HydrophobicContact CG2-CZ 4.03Å; I18-L145 HydrophobicContact CD1-CD1 3.48Å; I18-L145 VanDerWaalsContact CD1-CD1 3.48Å; I18-L145 HydrophobicContact CD1-CG 3.75Å; I18-L145 HydrophobicContact CG1-CD1 3.71Å; I18-L145 HydrophobicContact CG1-CG 3.96Å; I18-L145 HydrophobicContact CG2-CD1 4.13Å; I18-E220 WeakPolarHBondContact O-CA 3.31Å; I18-L221 HydrophobicContact CB-CB 4.21Å; I18-L221 PolarHBondContact N-O 2.89Å; I18-L221 PolarHBondContact O-N 3.07Å
19P90.8Very high74.7Confident66 Ų6656.2 Ų56.243%0.42930%0.3SS..EExtended strand (participates in β ladder)trans-64.7135.1174.328.4-33.2000109.2L217P19-L217 HydrophobicContact CB-CD1 3.47Å; P19-L217 VanDerWaalsContact CB-CD1 3.47Å
20L90.1Very high75.7Confident1 Ų148.9 Ų48.91%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-103.8134.7173.8-58.2176.4000109.5I18 Y67 F83 F207 L209 G218 G219 L221I18-L20 PolarHBondContact O-N 3.14Å; L20-Y67 CarbonylContact C-O 3.52Å; L20-Y67 WeakPolarHBondContact CA-O 3.41Å; L20-F83 HydrophobicContact CD2-CD2 3.63Å; L20-F83 HydrophobicContact CD2-CE2 3.83Å; L20-F207 HydrophobicContact CD1-CD1 3.78Å; L20-F207 HydrophobicContact CD1-CE1 3.83Å; L20-L209 HydrophobicContact CD1-CD2 3.71Å; L20-G218 CarbonylContact O-C 3.59Å; L20-G218 VanDerWaalsContact O-CA 3.32Å; L20-G218 WeakPolarHBondContact O-CA 3.45Å; L20-G218 PolarHBondContact O-N 3.04Å; L20-G219 PolarHBondContact N-O 3Å; L20-G219 PolarHBondContact O-N 3.3Å; L20-G219 VanDerWaalsContact O-N 3.09Å; L20-L221 HydrophobicContact CD1-CB 4.28Å; L20-L221 HydrophobicContact CD2-CB 4.23Å; L20-L221 HydrophobicContact CG-CB 4.38Å
21H84Confident76.7Confident64 Ų6442.2 Ų42.230%0.29623%0.231SC..EExtended strand (participates in β ladder)trans-100.1130.9178.9-62.4-68.3000109.8Y66 Y67H21-Y66 WeakPolarHBondContact O-CA 3.31Å; H21-Y67 HydrophobicContact CB-CD1 4.16Å; H21-Y67 HydrophobicContact CB-CD2 4.43Å; H21-Y67 HydrophobicContact CB-CE1 3.66Å; H21-Y67 HydrophobicContact CB-CE2 3.96Å; H21-Y67 PolarHBondContact N-O 3.19Å; H21-Y67 PolarHBondContact O-N 2.99Å
22P78.1Confident77.3Confident35 Ų3540.4 Ų40.423%0.22722%0.217CC..EExtended strand (participates in β ladder)trans-72.7137.4178.130.7-28.1000109.1Q65 Y66P22-Q65 CarbonylContact C-O 3.54Å; P22-Q65 VanDerWaalsContact CA-O 3.31Å; P22-Q65 WeakPolarHBondContact CA-O 3.46Å; P22-Y66 HydrophobicContact CB-CE1 4.34Å
23L75.6Confident77.5Confident19 Ų1944.6 Ų44.610%0.09922%0.223CC..  trans-116.5144.3167.467.2130000110.4S25 A64 Q65 Y66 Y67 K170 F171L23-S25 PolarHBondContact O-N 3.15Å; L23-A64 WeakPolarHBondContact CD1-O 3.16Å; L23-A64 WeakPolarHBondContact CG-O 3.44Å; L23-Q65 WeakPolarHBondContact CD2-O 3.42Å; L23-Q65 PolarHBondContact N-O 3.18Å; L23-Y66 VanDerWaalsContact CD2-N 3.32Å; L23-Y67 HydrophobicContact CB-CD1 4.38Å; L23-Y67 HydrophobicContact CB-CE1 4.37Å; L23-Y67 HydrophobicContact CD2-CD1 3.63Å; L23-Y67 HydrophobicContact CD2-CE1 4.42Å; L23-K170 HydrophobicContact CB-CB 4.47Å; L23-F171 HydrophobicContact CD1-CD1 4.46Å
24K72.3Confident77Confident97 Ų9747.8 Ų47.842%0.42223%0.231SC..  trans-72.3116.6167.2-170.1175.2-160.7155.20107.6R28 E32K24-R28 HydrophobicContact CG-CB 4.11Å; K24-E32 WeakPolarHBondContact CE-OE1 3.35Å; K24-E32 WeakPolarHBondContact CE-OE2 3.25Å; K24-E32 IonicContact NZ-OE1 3.59Å; K24-E32 PolarHBondContact NZ-OE1 2.81Å; K24-E32 IonicContact NZ-OE2 2.83Å; K24-E32 PolarHBondContact NZ-OE2 2.69Å
25S71Confident75.8Confident1 Ų146 Ų461%0.00723%0.225CC..  trans-57.2145-17885.10000111L23 Q27 R28 T29 L62L23-S25 PolarHBondContact O-N 3.15Å; S25-Q27 PolarHBondContact O-N 3.09Å; S25-R28 PolarHBondContact O-N 2.9Å; S25-R28 VanDerWaalsContact O-N 3.08Å; S25-R28 PolarHBondContact OG-N 3.19Å; S25-T29 PolarHBondContact O-N 3.07Å; S25-T29 PolarHBondContact O-OG1 3.38Å; S25-L62 CarbonylContact C-O 3.59Å; S25-L62 WeakPolarHBondContact CB-O 3.26Å; S25-L62 PolarHBondContact OG-O 3.49Å
26A68.8Low74.1Confident10 Ų1046.5 Ų46.58%0.08323%0.231CC..Hα-helixtrans-57.1-34.6177.500000110.4T29 L30 L62 M168A26-T29 WeakPolarHBondContact O-CB 3.16Å; A26-T29 PolarHBondContact O-N 2.56Å; A26-L30 WeakPolarHBondContact O-CB 3.36Å; A26-L30 VanDerWaalsContact O-CG 3.27Å; A26-L30 WeakPolarHBondContact O-CG 3.39Å; A26-L30 PolarHBondContact O-N 2.82Å; A26-L62 HydrophobicContact CB-CB 4.22Å; A26-L62 HydrophobicContact CB-CD2 3.65Å; A26-L62 PolarHBondContact N-O 3.01Å; A26-M168 HydrophobicContact CB-CB 3.87Å; A26-M168 HydrophobicContact CB-CE 4.11Å
27Q67.9Low71.9Confident2 Ų251.8 Ų51.81%0.00926%0.258CS..Hα-helixtrans-57.2-51.2173.3-177.3167.6-5800113S25 T29 L30 I31 W44 L62 D63S25-Q27 PolarHBondContact O-N 3.09Å; Q27-T29 VanDerWaalsContact C-N 3.3Å; Q27-T29 PolarHBondContact O-N 3.41Å; Q27-L30 PolarHBondContact O-N 3.49Å; Q27-I31 HydrophobicContact CG-CD1 4.07Å; Q27-I31 VanDerWaalsContact O-CG1 3.29Å; Q27-I31 WeakPolarHBondContact O-CG1 3.47Å; Q27-I31 PolarHBondContact O-N 2.98Å; Q27-I31 VanDerWaalsContact O-N 3.08Å; Q27-W44 HydrophobicContact CG-CH2 4.04Å; Q27-W44 HydrophobicContact CG-CZ2 3.36Å; Q27-L62 HydrophobicContact CB-CB 4.3Å; Q27-L62 PolarHBondContact N-O 2.85Å; Q27-D63 VanDerWaalsContact CB-OD1 3.29Å; Q27-D63 WeakPolarHBondContact CB-OD1 3.05Å; Q27-D63 PolarHBondContact NE2-OD1 3.16Å; Q27-D63 PolarHBondContact OE1-OD1 3.01Å; Q27-D63 PolarHBondContact OE1-OD2 2.9Å
28R72.8Confident69.7Low20 Ų2050.6 Ų50.68%0.07526%0.259CS..Hα-helixtrans-62.9-41.6176.6-72.6-173.7-172.2169.211.5111.1K24 S25 L30 I31 E32 V333K24-R28 HydrophobicContact CG-CB 4.11Å; S25-R28 PolarHBondContact O-N 2.9Å; S25-R28 VanDerWaalsContact O-N 3.08Å; S25-R28 PolarHBondContact OG-N 3.19Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 3.04Å; R28-I31 PolarHBondContact O-N 2.94Å; R28-E32 WeakPolarHBondContact O-CG 3.25Å; R28-E32 PolarHBondContact O-N 3.08Å; R28-E32 VanDerWaalsContact O-N 3.07Å; R28-V333 HydrophobicContact CB-CG1 4.47Å; R28-V333 HydrophobicContact CG-CG1 4.04Å
29T72.5Confident67.7Low38 Ų3853.3 Ų53.323%0.23327%0.273CS..Hα-helixtrans-59.2-44.9178.4-53.80000111.3S25 A26 Q27 E32 F33S25-T29 PolarHBondContact O-N 3.07Å; S25-T29 PolarHBondContact O-OG1 3.38Å; A26-T29 WeakPolarHBondContact O-CB 3.16Å; A26-T29 PolarHBondContact O-N 2.56Å; Q27-T29 VanDerWaalsContact C-N 3.3Å; Q27-T29 PolarHBondContact O-N 3.41Å; T29-E32 PolarHBondContact O-N 3.14Å; T29-F33 HydrophobicContact CG2-CD2 4.07Å; T29-F33 WeakPolarHBondContact O-CB 3.29Å; T29-F33 PolarHBondContact O-N 3.44Å
30L70.3Confident65.7Low5 Ų550.9 Ų50.93%0.02626%0.257CS..Hα-helixtrans-64.6-40.9177.2-72.2166.4000112.9A26 Q27 R28 E32 F33 T35 I39 V43 M168A26-L30 WeakPolarHBondContact O-CB 3.36Å; A26-L30 VanDerWaalsContact O-CG 3.27Å; A26-L30 WeakPolarHBondContact O-CG 3.39Å; A26-L30 PolarHBondContact O-N 2.82Å; Q27-L30 PolarHBondContact O-N 3.49Å; R28-L30 VanDerWaalsContact C-N 3.34Å; R28-L30 PolarHBondContact O-N 3.04Å; L30-E32 VanDerWaalsContact C-N 3.25Å; L30-E32 PolarHBondContact O-N 2.82Å; L30-F33 PolarHBondContact O-N 2.99Å; L30-T35 HydrophobicContact CD2-CG2 3.82Å; L30-T35 WeakPolarHBondContact CD2-OG1 3.33Å; L30-T35 PolarHBondContact O-OG1 3.4Å; L30-I39 HydrophobicContact CD2-CG2 4.38Å; L30-V43 HydrophobicContact CD1-CB 4.47Å; L30-V43 HydrophobicContact CD1-CG1 3.84Å; L30-V43 HydrophobicContact CD1-CG2 4.37Å; L30-M168 HydrophobicContact CD1-CE 4.1Å; L30-M168 HydrophobicContact CD2-CE 3.53Å; L30-M168 HydrophobicContact CG-CE 3.48Å; L30-M168 VanDerWaalsContact CG-CE 3.48Å
31I69.4Low63.6Low21 Ų2155.7 Ų55.711%0.10828%0.278CS..Hα-helixtrans-63.3-36178.3-69.3166000110.9Q27 R28 I299 V333 I340 L342Q27-I31 HydrophobicContact CG-CD1 4.07Å; Q27-I31 VanDerWaalsContact O-CG1 3.29Å; Q27-I31 WeakPolarHBondContact O-CG1 3.47Å; Q27-I31 PolarHBondContact O-N 2.98Å; Q27-I31 VanDerWaalsContact O-N 3.08Å; R28-I31 PolarHBondContact O-N 2.94Å; I31-I299 HydrophobicContact CD1-CD1 3.6Å; I31-I299 HydrophobicContact CD1-CG1 4.44Å; I31-I299 HydrophobicContact CG1-CD1 3.98Å; I31-V333 HydrophobicContact CG2-CG2 4.2Å; I31-I340 HydrophobicContact CG2-CD1 4.48Å; I31-L342 HydrophobicContact CD1-CD1 3.63Å
32E70Confident62Low50 Ų5060.1 Ų60.123%0.23430%0.296CS..Hα-helixtrans-78.3-38.1179.1-68.4-175.3-177.900113.6K24 R28 T29 L30 E34 V333 S334K24-E32 WeakPolarHBondContact CE-OE1 3.35Å; K24-E32 WeakPolarHBondContact CE-OE2 3.25Å; K24-E32 IonicContact NZ-OE1 3.59Å; K24-E32 PolarHBondContact NZ-OE1 2.81Å; K24-E32 IonicContact NZ-OE2 2.83Å; K24-E32 PolarHBondContact NZ-OE2 2.69Å; R28-E32 WeakPolarHBondContact O-CG 3.25Å; R28-E32 PolarHBondContact O-N 3.08Å; R28-E32 VanDerWaalsContact O-N 3.07Å; T29-E32 PolarHBondContact O-N 3.14Å; L30-E32 VanDerWaalsContact C-N 3.25Å; L30-E32 PolarHBondContact O-N 2.82Å; E32-E34 VanDerWaalsContact C-N 3.3Å; E32-E34 PolarHBondContact O-N 3.34Å; E32-V333 HydrophobicContact CG-CB 4.49Å; E32-S334 WeakPolarHBondContact CG-O 3.14Å
33F65.2Low60.6Low158 Ų15859.3 Ų59.369%0.69329%0.291SS*.THydrogen-bonded Turntrans-84.611.7-171.8-96.6-80.9000116T29 L30 T35T29-F33 HydrophobicContact CG2-CD2 4.07Å; T29-F33 WeakPolarHBondContact O-CB 3.29Å; T29-F33 PolarHBondContact O-N 3.44Å; L30-F33 PolarHBondContact O-N 2.99Å; F33-T35 PolarHBondContact O-N 3.17Å
34E59.3Low59.1Low127 Ų12758.9 Ų58.959%0.59329%0.288SS*.THydrogen-bonded Turntrans50.130.2179-98.7-157.2151.600114.2E32 S36 M336E32-E34 VanDerWaalsContact C-N 3.3Å; E32-E34 PolarHBondContact O-N 3.34Å; E34-S36 PolarHBondContact O-N 3.07Å; E34-S36 VanDerWaalsContact O-N 3.15Å; E34-M336 HydrophobicContact CG-CE 4.23Å; E34-M336 WeakPolarHBondContact OE1-CE 3.35Å; E34-M336 VanDerWaalsContact OE2-CE 3.3Å; E34-M336 WeakPolarHBondContact OE2-CE 3.15Å
35T53.5Low57.6Low42 Ų4260 Ų6026%0.25830%0.298SS..  trans-52.6131.1167.128.50000108.2L30 F33 L37 I39L30-T35 HydrophobicContact CD2-CG2 3.82Å; L30-T35 WeakPolarHBondContact CD2-OG1 3.33Å; L30-T35 PolarHBondContact O-OG1 3.4Å; F33-T35 PolarHBondContact O-N 3.17Å; T35-L37 PolarHBondContact O-N 3.09Å; T35-I39 HydrophobicContact CG2-CD1 4.08Å; T35-I39 HydrophobicContact CG2-CG2 4.18Å
36S48.7Very low56.5Low61 Ų6162.7 Ų62.743%0.42732%0.317SS..  trans-45.4142.7-172.266.30000110.4E34 E38 I39 V40E34-S36 PolarHBondContact O-N 3.07Å; E34-S36 VanDerWaalsContact O-N 3.15Å; S36-E38 CarbonylContact O-C 3.55Å; S36-E38 PolarHBondContact O-N 3.43Å; S36-I39 WeakPolarHBondContact O-CA 3.22Å; S36-I39 PolarHBondContact O-N 3.43Å; S36-I39 WeakPolarHBondContact OG-CG1 3.45Å; S36-I39 PolarHBondContact OG-N 3.22Å; S36-V40 PolarHBondContact O-N 2.9Å; S36-V40 VanDerWaalsContact O-N 3.12Å
37L45.4Very low55.3Low118 Ų11865.7 Ų65.762%0.61833%0.326SS*.Hα-helixtrans-48.3-25.7176.5-90.8157.6000112.9T35 K41 P296T35-L37 PolarHBondContact O-N 3.09Å; L37-K41 WeakPolarHBondContact O-CB 3.35Å; L37-K41 WeakPolarHBondContact O-CG 3.19Å; L37-K41 PolarHBondContact O-N 3.08Å; L37-P296 HydrophobicContact CD2-CB 3.67Å; L37-P296 HydrophobicContact CD2-CG 3.59Å
38E45.8Very low53.8Low119 Ų11967.5 Ų67.556%0.55634%0.337SS*.Hα-helixtrans-65.1-46.5170.1-88.1-73.4130.500114S36 K41 K42S36-E38 CarbonylContact O-C 3.55Å; S36-E38 PolarHBondContact O-N 3.43Å; E38-K41 PolarHBondContact O-N 2.98Å; E38-K42 WeakPolarHBondContact O-CB 3.42Å; E38-K42 PolarHBondContact O-N 2.8Å
39I50.1Low51.8Low65 Ų6572.1 Ų72.133%0.33337%0.372SS..Hα-helixtrans-66.5-46.1176.2-66.9168.2000109.7L30 T35 S36 K41 K42 V43 L164L30-I39 HydrophobicContact CD2-CG2 4.38Å; T35-I39 HydrophobicContact CG2-CD1 4.08Å; T35-I39 HydrophobicContact CG2-CG2 4.18Å; S36-I39 WeakPolarHBondContact O-CA 3.22Å; S36-I39 PolarHBondContact O-N 3.43Å; S36-I39 WeakPolarHBondContact OG-CG1 3.45Å; S36-I39 PolarHBondContact OG-N 3.22Å; I39-K41 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 3.43Å; I39-K42 PolarHBondContact O-N 2.83Å; I39-V43 HydrophobicContact CG2-CG2 4.17Å; I39-V43 VanDerWaalsContact O-CB 3.28Å; I39-V43 WeakPolarHBondContact O-CB 3.26Å; I39-V43 WeakPolarHBondContact O-CG2 3.34Å; I39-V43 PolarHBondContact O-N 3.44Å; I39-L164 HydrophobicContact CG2-CD2 4.34Å
40V49.8Very low49.9Very low15 Ų1572.9 Ų72.99%0.09139%0.388CS..Hα-helixtrans-60.4-45.2174.6-178.60000109.5S36 K42 V43 W44S36-V40 PolarHBondContact O-N 2.9Å; S36-V40 VanDerWaalsContact O-N 3.12Å; V40-K42 PolarHBondContact O-N 2.82Å; V40-V43 PolarHBondContact O-N 3.2Å; V40-W44 HydrophobicContact CG1-CG 4.27Å; V40-W44 WeakPolarHBondContact O-CB 3.32Å; V40-W44 PolarHBondContact O-N 3.45Å
41K45Very low48.1Very low102 Ų10279.4 Ų79.444%0.44343%0.428SS..Hα-helixtrans-56.7-50172.8-100.3-177.3172.4179.80112.3L37 E38 I39 V43 W44 L45L37-K41 WeakPolarHBondContact O-CB 3.35Å; L37-K41 WeakPolarHBondContact O-CG 3.19Å; L37-K41 PolarHBondContact O-N 3.08Å; E38-K41 PolarHBondContact O-N 2.98Å; I39-K41 VanDerWaalsContact C-N 3.32Å; I39-K41 PolarHBondContact O-N 3.43Å; K41-V43 VanDerWaalsContact C-N 3.34Å; K41-V43 PolarHBondContact O-N 2.66Å; K41-W44 CarbonylContact O-C 3.51Å; K41-W44 PolarHBondContact O-N 2.91Å; K41-L45 HydrophobicContact CB-CD1 3.85Å; K41-L45 HydrophobicContact CB-CG 4.48Å; K41-L45 HydrophobicContact CD-CD1 4.22Å; K41-L45 HydrophobicContact CG-CD1 3.95Å; K41-L45 WeakPolarHBondContact O-CA 3.24Å; K41-L45 WeakPolarHBondContact O-CB 3.4Å; K41-L45 WeakPolarHBondContact O-CD1 3.47Å; K41-L45 WeakPolarHBondContact O-CG 3.24Å; K41-L45 PolarHBondContact O-N 2.92Å
42K50.4Low46.5Very low157 Ų15784.3 Ų84.368%0.68345%0.454SS*.Hα-helixtrans-61.6-42.8-179-96.3-176.1175.41780112.4E38 I39 V40 W44 S46E38-K42 WeakPolarHBondContact O-CB 3.42Å; E38-K42 PolarHBondContact O-N 2.8Å; I39-K42 PolarHBondContact O-N 2.83Å; V40-K42 PolarHBondContact O-N 2.82Å; K42-W44 VanDerWaalsContact C-N 3.28Å; K42-W44 PolarHBondContact O-N 3.17Å; K42-S46 PolarHBondContact O-OG 3.35Å
43V49.3Very low45.4Very low19 Ų1986.8 Ų86.812%0.11547%0.474CS..Hα-helixtrans-66.2-33.2178.6171.20000111.3L30 I39 V40 K41 L62 L164L30-V43 HydrophobicContact CD1-CB 4.47Å; L30-V43 HydrophobicContact CD1-CG1 3.84Å; L30-V43 HydrophobicContact CD1-CG2 4.37Å; I39-V43 HydrophobicContact CG2-CG2 4.17Å; I39-V43 VanDerWaalsContact O-CB 3.28Å; I39-V43 WeakPolarHBondContact O-CB 3.26Å; I39-V43 WeakPolarHBondContact O-CG2 3.34Å; I39-V43 PolarHBondContact O-N 3.44Å; V40-V43 PolarHBondContact O-N 3.2Å; K41-V43 VanDerWaalsContact C-N 3.34Å; K41-V43 PolarHBondContact O-N 2.66Å; V43-L62 HydrophobicContact CG1-CD1 3.12Å; V43-L62 HydrophobicContact CG1-CD2 4.01Å; V43-L62 HydrophobicContact CG1-CG 4.18Å; V43-L164 HydrophobicContact CG2-CD2 4.41Å
44W44.5Very low44.8Very low10 Ų1083 Ų834%0.03846%0.459CS..Hα-helixtrans-97.1-20.9-176.8-74.672.5000115Q27 V40 K41 K42 S46 R47 G297 I299Q27-W44 HydrophobicContact CG-CH2 4.04Å; Q27-W44 HydrophobicContact CG-CZ2 3.36Å; V40-W44 HydrophobicContact CG1-CG 4.27Å; V40-W44 WeakPolarHBondContact O-CB 3.32Å; V40-W44 PolarHBondContact O-N 3.45Å; K41-W44 CarbonylContact O-C 3.51Å; K41-W44 PolarHBondContact O-N 2.91Å; K42-W44 VanDerWaalsContact C-N 3.28Å; K42-W44 PolarHBondContact O-N 3.17Å; W44-S46 VanDerWaalsContact C-N 3.32Å; W44-R47 VanDerWaalsContact O-CD 3.25Å; W44-R47 WeakPolarHBondContact O-CD 3.45Å; W44-R47 WeakPolarHBondContact O-CG 3.22Å; W44-G297 VanDerWaalsContact CZ3-O 3.28Å; W44-G297 WeakPolarHBondContact CZ3-O 3.4Å; W44-I299 HydrophobicContact CH2-CB 4.43Å; W44-I299 HydrophobicContact CH2-CD1 3.75Å; W44-I299 HydrophobicContact CH2-CG1 3.09Å; W44-I299 HydrophobicContact CZ2-CD1 3.36Å; W44-I299 HydrophobicContact CZ2-CG1 3.31Å; W44-I299 HydrophobicContact CZ3-CG1 3.75Å
45L40.4Very low44.8Very low121 Ų12178.7 Ų78.763%0.63444%0.442SS*.Hα-helixtrans-84.4-4.7178.4-75.9168.4000112.7K41 R47K41-L45 HydrophobicContact CB-CD1 3.85Å; K41-L45 HydrophobicContact CB-CG 4.48Å; K41-L45 HydrophobicContact CD-CD1 4.22Å; K41-L45 HydrophobicContact CG-CD1 3.95Å; K41-L45 WeakPolarHBondContact O-CA 3.24Å; K41-L45 WeakPolarHBondContact O-CB 3.4Å; K41-L45 WeakPolarHBondContact O-CD1 3.47Å; K41-L45 WeakPolarHBondContact O-CG 3.24Å; K41-L45 PolarHBondContact O-N 2.92Å; L45-R47 PolarHBondContact O-N 2.61Å
46S46.6Very low45.3Very low57 Ų5776.7 Ų76.740%0.39943%0.43SS..THydrogen-bonded Turntrans-58.7-5.8164.2-54.80000112.9K42 W44 V48 G130K42-S46 PolarHBondContact O-OG 3.35Å; W44-S46 VanDerWaalsContact C-N 3.32Å; S46-V48 PolarHBondContact O-N 2.79Å; S46-G130 VanDerWaalsContact O-O 3.12Å
47R43.7Very low45.6Very low72 Ų7276.7 Ų76.727%0.27242%0.42SS..SBendtrans-56.898.9171.3-76.5176.2177.1-178.7-4112.5W44 L45 G297W44-R47 VanDerWaalsContact O-CD 3.25Å; W44-R47 WeakPolarHBondContact O-CD 3.45Å; W44-R47 WeakPolarHBondContact O-CG 3.22Å; L45-R47 PolarHBondContact O-N 2.61Å; R47-G297 PolarHBondContact NH1-O 3.45Å
48V38.1Very low46Very low40 Ų4072.4 Ų72.424%0.24240%0.398CS..  trans40.184.3147.1-164.30000113.6S46 Y57 L348 P351S46-V48 PolarHBondContact O-N 2.79Å; V48-Y57 HydrophobicContact CG1-CE1 4.3Å; V48-Y57 HydrophobicContact CG2-CE1 4.2Å; V48-L348 HydrophobicContact CG2-CD1 4.35Å; V48-P351 HydrophobicContact CG1-CG 4.48Å
49S30.9Very low46.3Very low117 Ų11766.9 Ų66.982%0.81837%0.372SS*.  trans-130.487.1160.5-65.50000109.1
50G31.9Very low46.6Very low55 Ų5564.6 Ų64.657%0.56736%0.361SS*.SBendtrans82.7147.4155.200000118.8
51V31.3Very low46.8Very low142 Ų14264.1 Ų64.186%0.86136%0.358SS*.SBendtrans86.6107.6165.3-160.60000116.5
52D37.3Very low47.4Very low123 Ų12359.5 Ų59.566%0.65834%0.337SS*.  trans46.9121.6174.6-117.4-1.9000119.1Q54D52-Q54 PolarHBondContact O-N 3.17Å
53P46.9Very low47.8Very low102 Ų10252 Ų5266%0.66231%0.305SS*.  trans-69.195.5177.328.9-30.7000109.7
54Q52.2Low48.2Very low80 Ų8051.1 Ų51.137%0.37430%0.3SS..  trans-73145.1165.6-66.8-61.5-3200109.4D52 E56 Y57 H128D52-Q54 PolarHBondContact O-N 3.17Å; Q54-E56 PolarHBondContact O-N 2.81Å; Q54-E56 VanDerWaalsContact O-N 3.08Å; Q54-Y57 WeakPolarHBondContact O-CB 3.49Å; Q54-Y57 PolarHBondContact O-N 3.44Å; Q54-Y57 VanDerWaalsContact O-N 3.17Å; Q54-H128 HydrophobicContact CB-CB 4.42Å
55P60.2Low49.4Very low35 Ų3550.9 Ų50.923%0.22730%0.299CS..THydrogen-bonded Turntrans-59-27.5-168.7-26.634.5000115.7I182 V184 Y245P55-I182 HydrophobicContact CB-CB 3.82Å; P55-I182 WeakPolarHBondContact CB-O 3.44Å; P55-V184 HydrophobicContact CG-CG2 4.44Å; P55-Y245 PolarHBondContact O-OH 2.85Å
56E62.6Low51.5Low1 Ų145.9 Ų45.91%0.00527%0.272CS..THydrogen-bonded Turntrans-105.811.4-176.3-53.4-162165.100113.6Q54 L58 S87 S88 N89 V127 H128 Y129Q54-E56 PolarHBondContact O-N 2.81Å; Q54-E56 VanDerWaalsContact O-N 3.08Å; E56-L58 PolarHBondContact O-N 2.81Å; E56-S87 VanDerWaalsContact OE1-CB 3.24Å; E56-S87 WeakPolarHBondContact OE1-CB 3.5Å; E56-S87 WeakPolarHBondContact OE2-CB 3.01Å; E56-S88 PolarHBondContact OE1-N 2.78Å; E56-N89 PolarHBondContact OE1-N 2.95Å; E56-N89 PolarHBondContact OE1-OD1 2.96Å; E56-N89 VanDerWaalsContact OE1-OD1 3.13Å; E56-V127 HydrophobicContact CB-CG1 3.79Å; E56-V127 HydrophobicContact CG-CG1 4.15Å; E56-V127 VanDerWaalsContact OE2-CG1 3.23Å; E56-V127 WeakPolarHBondContact OE2-CG1 3.22Å; E56-H128 CarbonylContact C-O 3.52Å; E56-H128 VanDerWaalsContact C-O 3.25Å; E56-Y129 HydrophobicContact CB-CD1 3.97Å; E56-Y129 HydrophobicContact CB-CE1 3.7Å; E56-Y129 WeakPolarHBondContact O-CD1 3.35Å; E56-Y129 WeakPolarHBondContact OE2-CE1 3.41Å; E56-Y129 PolarHBondContact OE2-OH 3.24Å; E56-Y129 VanDerWaalsContact OE2-OH 3.05Å
57Y55.7Low53.6Low60 Ų6045.7 Ų45.724%0.23526%0.263CS..THydrogen-bonded Turntrans-64.5-13-172-154.6-91.4000115V48 Q54 K59 H128 G130V48-Y57 HydrophobicContact CG1-CE1 4.3Å; V48-Y57 HydrophobicContact CG2-CE1 4.2Å; Q54-Y57 WeakPolarHBondContact O-CB 3.49Å; Q54-Y57 PolarHBondContact O-N 3.44Å; Q54-Y57 VanDerWaalsContact O-N 3.17Å; Y57-K59 PolarHBondContact O-N 2.98Å; Y57-H128 VanDerWaalsContact CA-O 3.28Å; Y57-H128 WeakPolarHBondContact CA-O 3.34Å; Y57-H128 HydrophobicContact CD2-CB 3.91Å; Y57-H128 HydrophobicContact CE2-CB 4.24Å; Y57-H128 PolarHBondContact N-O 2.82Å; Y57-G130 WeakPolarHBondContact O-CA 3.29Å; Y57-G130 PolarHBondContact O-N 2.85Å; Y57-G130 VanDerWaalsContact O-N 3.11Å
58L52.5Low55.9Low29 Ų2942.3 Ų42.315%0.15225%0.25CC..THydrogen-bonded Turntrans-74.8-2.4-173.6-56.8-171.2000114.9E56 Y245 L350 L355E56-L58 PolarHBondContact O-N 2.81Å; L58-Y245 HydrophobicContact CD1-CD2 4.33Å; L58-Y245 HydrophobicContact CD1-CE1 3.97Å; L58-Y245 HydrophobicContact CD1-CE2 3.6Å; L58-Y245 WeakPolarHBondContact CD1-OH 3.33Å; L58-L350 HydrophobicContact CD1-CD1 4.15Å; L58-L350 HydrophobicContact CD2-CD1 3.46Å; L58-L350 VanDerWaalsContact CD2-CD1 3.46Å; L58-L350 HydrophobicContact CD2-CD2 3.41Å; L58-L350 VanDerWaalsContact CD2-CD2 3.41Å; L58-L350 HydrophobicContact CD2-CG 4.03Å; L58-L350 HydrophobicContact CG-CD1 4.42Å; L58-L355 HydrophobicContact CD1-CD2 4.05Å
59K54Low58.6Low2 Ų243.8 Ų43.81%0.00926%0.256CS..  trans-103.6143.9-159.5-56.3-66.4151.8-175.90115.5Y57 Y61 G86 Y129 G130 T131 D270Y57-K59 PolarHBondContact O-N 2.98Å; K59-Y61 HydrophobicContact CB-CE1 4.23Å; K59-Y61 HydrophobicContact CB-CE2 3.92Å; K59-G86 WeakPolarHBondContact CE-O 3.32Å; K59-Y129 HydrophobicContact CB-CD1 4.02Å; K59-Y129 HydrophobicContact CG-CD1 4.36Å; K59-G130 CarbonylContact O-C 3.58Å; K59-G130 WeakPolarHBondContact O-CA 3.28Å; K59-G130 PolarHBondContact O-N 2.75Å; K59-T131 PolarHBondContact O-N 2.71Å; K59-D270 IonicContact NZ-OD1 3.77Å; K59-D270 PolarHBondContact NZ-OD1 2.9Å; K59-D270 IonicContact NZ-OD2 3.32Å; K59-D270 PolarHBondContact NZ-OD2 3.02Å
60N54.9Low61.8Low18 Ų1838.3 Ų38.310%0.09622%0.218CC..  trans-124.995169.9174.413.6000109.6L62 D63 T131N60-L62 PolarHBondContact O-N 2.61Å; N60-L62 WeakPolarHBondContact OD1-CB 3.19Å; N60-L62 WeakPolarHBondContact OD1-CD1 3.35Å; N60-L62 WeakPolarHBondContact OD1-CG 3.31Å; N60-L62 PolarHBondContact OD1-N 3.36Å; N60-L62 VanDerWaalsContact OD1-N 3.11Å; N60-D63 PolarHBondContact ND2-OD2 2.91Å; N60-D63 WeakPolarHBondContact O-CB 3.22Å; N60-D63 PolarHBondContact O-N 2.96Å; N60-T131 HydrophobicContact CB-CG2 3.8Å; N60-T131 VanDerWaalsContact CG-CG2 3.48Å; N60-T131 WeakPolarHBondContact OD1-CG2 3.49Å
61Y55.3Low65Low5 Ų536.9 Ų36.92%0.0220%0.198CC..G310 helixtrans-78.1-2.8-179-62.3-63.7000114.8K59 D63 A64 D84 Y129 I174K59-Y61 HydrophobicContact CB-CE1 4.23Å; K59-Y61 HydrophobicContact CB-CE2 3.92Å; Y61-D63 PolarHBondContact O-N 2.82Å; Y61-A64 PolarHBondContact O-N 2.89Å; Y61-A64 VanDerWaalsContact O-N 3.1Å; Y61-D84 WeakPolarHBondContact CE1-OD2 3.16Å; Y61-D84 PolarHBondContact OH-OD2 3.23Å; Y61-Y129 HydrophobicContact CD2-CD1 4.33Å; Y61-Y129 HydrophobicContact CD2-CD2 4.06Å; Y61-Y129 HydrophobicContact CD2-CE2 4.35Å; Y61-Y129 HydrophobicContact CD2-CG 4.02Å; Y61-Y129 AromaticContact CE2-CD1 3.31Å; Y61-Y129 HydrophobicContact CE2-CD1 3.31Å; Y61-Y129 AromaticContact CE2-CD2 3.61Å; Y61-Y129 HydrophobicContact CE2-CD2 3.61Å; Y61-Y129 AromaticContact CE2-CE1 3.38Å; Y61-Y129 HydrophobicContact CE2-CE1 3.38Å; Y61-Y129 AromaticContact CE2-CE2 3.67Å; Y61-Y129 HydrophobicContact CE2-CE2 3.67Å; Y61-Y129 AromaticContact CE2-CG 3.4Å; Y61-Y129 HydrophobicContact CE2-CG 3.4Å; Y61-Y129 AromaticContact CE2-CZ 3.57Å; Y61-Y129 AromaticContact CZ-CD1 3.89Å; Y61-Y129 AromaticContact CZ-CE1 3.71Å; Y61-Y129 WeakPolarHBondContact OH-CE1 3.41Å; Y61-I174 HydrophobicContact CD1-CD1 3.88Å; Y61-I174 HydrophobicContact CD2-CD1 3.71Å; Y61-I174 HydrophobicContact CE1-CD1 3.52Å; Y61-I174 HydrophobicContact CE2-CD1 3.27Å; Y61-I174 HydrophobicContact CG-CD1 3.98Å
62L56.3Low68.2Low4 Ų430.2 Ų30.22%0.02116%0.158CC..G310 helixtrans-61.2-16167-60.4161.4000111.8S25 A26 Q27 V43 N60 T131 V165S25-L62 CarbonylContact C-O 3.59Å; S25-L62 WeakPolarHBondContact CB-O 3.26Å; S25-L62 PolarHBondContact OG-O 3.49Å; A26-L62 HydrophobicContact CB-CB 4.22Å; A26-L62 HydrophobicContact CB-CD2 3.65Å; A26-L62 PolarHBondContact N-O 3.01Å; Q27-L62 HydrophobicContact CB-CB 4.3Å; Q27-L62 PolarHBondContact N-O 2.85Å; V43-L62 HydrophobicContact CG1-CD1 3.12Å; V43-L62 HydrophobicContact CG1-CD2 4.01Å; V43-L62 HydrophobicContact CG1-CG 4.18Å; N60-L62 PolarHBondContact O-N 2.61Å; N60-L62 WeakPolarHBondContact OD1-CB 3.19Å; N60-L62 WeakPolarHBondContact OD1-CD1 3.35Å; N60-L62 WeakPolarHBondContact OD1-CG 3.31Å; N60-L62 PolarHBondContact OD1-N 3.36Å; N60-L62 VanDerWaalsContact OD1-N 3.11Å; L62-T131 HydrophobicContact CD1-CG2 4.01Å; L62-V165 HydrophobicContact CD1-CG2 4.44Å; L62-V165 HydrophobicContact CD2-CB 4.17Å; L62-V165 HydrophobicContact CD2-CG1 4.11Å; L62-V165 HydrophobicContact CD2-CG2 3.82Å; L62-V165 HydrophobicContact CG-CG1 4.19Å; L62-V165 HydrophobicContact CG-CG2 3.97Å
63D59.3Low71.1Confident1 Ų124.7 Ų24.71%0.00513%0.13CC..G310 helixtrans-105.65.4179.9-78.2-29.7000113.6Q27 N60 Y61 Q65 S274Q27-D63 VanDerWaalsContact CB-OD1 3.29Å; Q27-D63 WeakPolarHBondContact CB-OD1 3.05Å; Q27-D63 PolarHBondContact NE2-OD1 3.16Å; Q27-D63 PolarHBondContact OE1-OD1 3.01Å; Q27-D63 PolarHBondContact OE1-OD2 2.9Å; N60-D63 PolarHBondContact ND2-OD2 2.91Å; N60-D63 WeakPolarHBondContact O-CB 3.22Å; N60-D63 PolarHBondContact O-N 2.96Å; Y61-D63 PolarHBondContact O-N 2.82Å; D63-Q65 PolarHBondContact O-N 2.93Å; D63-S274 WeakPolarHBondContact CB-OG 3.49Å; D63-S274 WeakPolarHBondContact O-CB 3.48Å; D63-S274 PolarHBondContact O-N 3.05Å; D63-S274 PolarHBondContact O-OG 2.87Å
64A57.9Low73.5Confident0 Ų022.6 Ų22.60%012%0.115CC..  trans-62133171.700000109.6L23 Y61 V82 F171L23-A64 WeakPolarHBondContact CD1-O 3.16Å; L23-A64 WeakPolarHBondContact CG-O 3.44Å; Y61-A64 PolarHBondContact O-N 2.89Å; Y61-A64 VanDerWaalsContact O-N 3.1Å; A64-V82 HydrophobicContact CB-CG1 4.3Å; A64-V82 HydrophobicContact CB-CG2 3.77Å; A64-F171 HydrophobicContact CB-CE1 3.83Å; A64-F171 HydrophobicContact CB-CZ 4.45Å
65Q70.2Confident75.7Confident5 Ų523 Ų232%0.02312%0.124CC..  trans-118.4-11.4-179.4-73.5-176.625.700114.2P22 L23 D63 S274P22-Q65 CarbonylContact C-O 3.54Å; P22-Q65 VanDerWaalsContact CA-O 3.31Å; P22-Q65 WeakPolarHBondContact CA-O 3.46Å; L23-Q65 WeakPolarHBondContact CD2-O 3.42Å; L23-Q65 PolarHBondContact N-O 3.18Å; D63-Q65 PolarHBondContact O-N 2.93Å; Q65-S274 WeakPolarHBondContact CG-OG 3.49Å; Q65-S274 PolarHBondContact NE2-OG 2.84Å
66Y85Confident77.5Confident15 Ų1525 Ų256%0.05914%0.137CC..EExtended strand (participates in β ladder)trans-138136.8-174.5-54.3-83.2000111.4H21 P22 L23 L209 S210 G218 D360H21-Y66 WeakPolarHBondContact O-CA 3.31Å; P22-Y66 HydrophobicContact CB-CE1 4.34Å; L23-Y66 VanDerWaalsContact CD2-N 3.32Å; Y66-L209 HydrophobicContact CD1-CD2 4.09Å; Y66-L209 HydrophobicContact CD2-CD1 3.97Å; Y66-L209 HydrophobicContact CD2-CD2 3.78Å; Y66-L209 HydrophobicContact CD2-CG 4.37Å; Y66-L209 HydrophobicContact CE1-CD2 4.38Å; Y66-L209 HydrophobicContact CE2-CB 4.21Å; Y66-L209 HydrophobicContact CE2-CD1 3.86Å; Y66-L209 HydrophobicContact CE2-CD2 4.1Å; Y66-L209 HydrophobicContact CE2-CG 4.29Å; Y66-L209 HydrophobicContact CG-CD2 3.79Å; Y66-S210 PolarHBondContact OH-O 2.87Å; Y66-G218 WeakPolarHBondContact CE1-O 3.33Å; Y66-D360 HydrophobicContact CE2-CB 4.08Å
67Y89.8Confident79.3Confident54 Ų5426.3 Ų26.321%0.21214%0.144CC..EExtended strand (participates in β ladder)trans-136.7161.4172.769.7-86.5000110.4L20 H21 L23 V81L20-Y67 CarbonylContact C-O 3.52Å; L20-Y67 WeakPolarHBondContact CA-O 3.41Å; H21-Y67 HydrophobicContact CB-CD1 4.16Å; H21-Y67 HydrophobicContact CB-CD2 4.43Å; H21-Y67 HydrophobicContact CB-CE1 3.66Å; H21-Y67 HydrophobicContact CB-CE2 3.96Å; H21-Y67 PolarHBondContact N-O 3.19Å; H21-Y67 PolarHBondContact O-N 2.99Å; L23-Y67 HydrophobicContact CB-CD1 4.38Å; L23-Y67 HydrophobicContact CB-CE1 4.37Å; L23-Y67 HydrophobicContact CD2-CD1 3.63Å; L23-Y67 HydrophobicContact CD2-CE1 4.42Å; Y67-V81 WeakPolarHBondContact CA-O 3.34Å; Y67-V81 WeakPolarHBondContact CB-O 3.27Å
68G92.1Very high81.3Confident0 Ų026.2 Ų26.20%015%0.149CC..EExtended strand (participates in β ladder)trans-146.8178.3165.400000110.5S80 V81G68-S80 CarbonylContact O-C 3.53Å; G68-S80 WeakPolarHBondContact O-CA 3.24Å; G68-V81 PolarHBondContact N-O 3.33Å; G68-V81 PolarHBondContact O-N 2.83Å
69D94.7Very high83.4Confident71 Ų7124.9 Ų24.938%0.3814%0.142SC..EExtended strand (participates in β ladder)trans-97.6138.1-171.1-69.1-23.1000112.6T78 F79 S80 L145D69-T78 HydrophobicContact CB-CG2 4.14Å; D69-F79 WeakPolarHBondContact CA-O 3.2Å; D69-S80 WeakPolarHBondContact OD1-CA 3.46Å; D69-S80 PolarHBondContact OD1-OG 2.89Å; D69-L145 WeakPolarHBondContact O-CD1 3.16Å
70I97.5Very high85.4Confident2 Ų225.2 Ų25.21%0.0115%0.145CC..EExtended strand (participates in β ladder)trans-119.2165.4164.256.6168.6000109.1I72 T78 F79 V81 F83 L90 L143 L145 L175I70-I72 HydrophobicContact CD1-CD1 4.11Å; I70-I72 HydrophobicContact CD1-CG1 4.25Å; I70-T78 CarbonylContact O-C 3.32Å; I70-T78 WeakPolarHBondContact O-CA 3.47Å; I70-F79 HydrophobicContact CG1-CB 4.08Å; I70-F79 PolarHBondContact N-O 3Å; I70-F79 PolarHBondContact O-N 2.05Å; I70-V81 HydrophobicContact CD1-CG1 3.64Å; I70-V81 HydrophobicContact CD1-CG2 4.11Å; I70-V81 HydrophobicContact CG1-CG1 3.84Å; I70-V81 HydrophobicContact CG1-CG2 3.97Å; I70-V81 HydrophobicContact CG2-CG2 3.93Å; I70-F83 HydrophobicContact CG2-CE1 4.43Å; I70-F83 HydrophobicContact CG2-CZ 4.39Å; I70-L90 HydrophobicContact CD1-CD1 3.78Å; I70-L143 HydrophobicContact CD1-CD1 4.14Å; I70-L145 HydrophobicContact CG2-CB 4.3Å; I70-L145 HydrophobicContact CG2-CD1 3.64Å; I70-L145 HydrophobicContact CG2-CG 4.38Å; I70-L175 HydrophobicContact CG2-CD1 3.92Å
71T98.5Very high87.2Confident26 Ų2624.4 Ų24.416%0.1614%0.141CC..EExtended strand (participates in β ladder)trans-126.9143.7165.264.50000111.7P76 Q77 T78 L143 Q144T71-P76 HydrophobicContact CG2-CB 4.02Å; T71-Q77 CarbonylContact C-O 3.55Å; T71-Q77 WeakPolarHBondContact CA-O 3.35Å; T71-T78 HydrophobicContact CG2-CG2 4.37Å; T71-L143 CarbonylContact O-C 3.6Å; T71-L143 WeakPolarHBondContact O-CA 3.41Å; T71-Q144 PolarHBondContact N-O 2.83Å; T71-Q144 PolarHBondContact O-N 3.43Å; T71-Q144 WeakPolarHBondContact OG1-CB 3.31Å
72I98.8Very high89Confident2 Ų224.2 Ų24.21%0.0114%0.14CC..EExtended strand (participates in β ladder)trans-124.3133.1178.3-55.9176.4000109.1I70 Q77 F79 L90 V92 Y110 D141 S142 F155I70-I72 HydrophobicContact CD1-CD1 4.11Å; I70-I72 HydrophobicContact CD1-CG1 4.25Å; I72-Q77 PolarHBondContact N-O 2.82Å; I72-Q77 VanDerWaalsContact O-CB 3.32Å; I72-Q77 WeakPolarHBondContact O-CB 3.3Å; I72-Q77 PolarHBondContact O-N 3.33Å; I72-F79 HydrophobicContact CB-CD2 4.47Å; I72-F79 HydrophobicContact CB-CE2 4.22Å; I72-F79 HydrophobicContact CD1-CD2 4.15Å; I72-F79 HydrophobicContact CD1-CE2 4.36Å; I72-F79 HydrophobicContact CG1-CD2 4.22Å; I72-F79 HydrophobicContact CG1-CE2 4.42Å; I72-L90 HydrophobicContact CD1-CD2 4.35Å; I72-V92 HydrophobicContact CD1-CG1 3.98Å; I72-V92 HydrophobicContact CD1-CG2 3.94Å; I72-Y110 HydrophobicContact CB-CD2 4.29Å; I72-Y110 HydrophobicContact CB-CE2 4.41Å; I72-Y110 HydrophobicContact CG2-CD2 3.94Å; I72-Y110 HydrophobicContact CG2-CE2 3.68Å; I72-D141 HydrophobicContact CG2-CB 3.91Å; I72-S142 WeakPolarHBondContact CA-O 3.32Å; I72-F155 HydrophobicContact CD1-CD2 4.36Å; I72-F155 HydrophobicContact CD1-CE2 4.26Å; I72-F155 HydrophobicContact CD1-CZ 4.41Å; I72-F155 HydrophobicContact CG2-CE1 3.71Å; I72-F155 HydrophobicContact CG2-CZ 3.71Å
73G98.6Very high90.9Very high6 Ų624.2 Ų24.26%0.06214%0.14CC..THydrogen-bonded Turntrans89.3177.7173.100000116.8P75 P76 S115 D141 S142G73-P75 CarbonylContact C-O 3.47Å; G73-P75 CarbonylContact O-C 3.54Å; G73-P76 VanDerWaalsContact O-CA 3.27Å; G73-P76 WeakPolarHBondContact O-CA 3.44Å; G73-S115 WeakPolarHBondContact CA-OG 3.48Å; G73-D141 VanDerWaalsContact CA-CG 3.44Å; G73-D141 WeakPolarHBondContact CA-OD1 3.27Å; G73-D141 WeakPolarHBondContact CA-OD2 3.44Å; G73-S142 PolarHBondContact N-O 2.95Å
74T98.5Very high92.5Very high59 Ų5924.2 Ų24.236%0.36214%0.14SC..THydrogen-bonded Turntrans-131.1109.4-178.7-550000110.8S115 S116 T117T74-S115 PolarHBondContact N-OG 2.99Å; T74-S115 CarbonylContact O-C 3.39Å; T74-S115 VanDerWaalsContact O-CA 3.29Å; T74-S115 WeakPolarHBondContact O-CA 3.42Å; T74-S116 WeakPolarHBondContact CB-OG 3.43Å; T74-S116 WeakPolarHBondContact CG2-OG 3.48Å; T74-S116 PolarHBondContact O-N 2.97Å; T74-S116 PolarHBondContact O-OG 3.08Å; T74-T117 WeakPolarHBondContact CB-OG1 3.18Å; T74-T117 PolarHBondContact N-OG1 3.48Å; T74-T117 VanDerWaalsContact OG1-CG2 3.25Å; T74-T117 WeakPolarHBondContact OG1-CG2 3.2Å; T74-T117 PolarHBondContact OG1-OG1 2.84Å
75P98.3Very high94.3Very high87 Ų8724.2 Ų24.257%0.56514%0.14SC*.THydrogen-bonded Turncis-65.5156.91.128.7-37000113.1G73 Q77 K114G73-P75 CarbonylContact C-O 3.47Å; G73-P75 CarbonylContact O-C 3.54Å; P75-Q77 PolarHBondContact O-N 3.09Å; P75-K114 WeakPolarHBondContact CD-O 3.47Å
76P98.3Very high95.3Very high77 Ų7724 Ų2450%0.514%0.14SC..THydrogen-bonded Turntrans-57.6130.3-178.9-25.935000113.5T71 G73T71-P76 HydrophobicContact CG2-CB 4.02Å; G73-P76 VanDerWaalsContact O-CA 3.27Å; G73-P76 WeakPolarHBondContact O-CA 3.44Å
77Q98.6Very high95.7Very high29 Ų2923.3 Ų23.314%0.13614%0.137CC..EExtended strand (participates in β ladder)trans-108.5118.6170.8-56.9176.261.400108.9T71 I72 P75 F79 D111T71-Q77 CarbonylContact C-O 3.55Å; T71-Q77 WeakPolarHBondContact CA-O 3.35Å; I72-Q77 PolarHBondContact N-O 2.82Å; I72-Q77 VanDerWaalsContact O-CB 3.32Å; I72-Q77 WeakPolarHBondContact O-CB 3.3Å; I72-Q77 PolarHBondContact O-N 3.33Å; P75-Q77 PolarHBondContact O-N 3.09Å; Q77-F79 HydrophobicContact CB-CE2 3.83Å; Q77-F79 HydrophobicContact CB-CZ 4.24Å; Q77-F79 VanDerWaalsContact O-CD2 3.25Å; Q77-F79 WeakPolarHBondContact O-CD2 3.39Å; Q77-F79 VanDerWaalsContact O-CE2 3.23Å; Q77-F79 WeakPolarHBondContact O-CE2 3.42Å; Q77-D111 PolarHBondContact NE2-O 2.02Å
78T98.1Very high95.9Very high58 Ų5820.8 Ų20.836%0.35613%0.127SC..EExtended strand (participates in β ladder)trans-82.5138.7-173.2-47.20000112.7D69 I70 T71 R108D69-T78 HydrophobicContact CB-CG2 4.14Å; I70-T78 CarbonylContact O-C 3.32Å; I70-T78 WeakPolarHBondContact O-CA 3.47Å; T71-T78 HydrophobicContact CG2-CG2 4.37Å; T78-R108 WeakPolarHBondContact O-CD 3.44Å; T78-R108 PolarHBondContact O-NE 3.46Å; T78-R108 PolarHBondContact O-NH1 2.79Å
79F97.7Very high96.2Very high1 Ų120.9 Ų20.90%0.00413%0.127CC..EExtended strand (participates in β ladder)trans-136142.6172.9-59.7-87.5000110.2D69 I70 I72 Q77 V81 V92 R108 Y110 D172D69-F79 WeakPolarHBondContact CA-O 3.2Å; I70-F79 HydrophobicContact CG1-CB 4.08Å; I70-F79 PolarHBondContact N-O 3Å; I70-F79 PolarHBondContact O-N 2.05Å; I72-F79 HydrophobicContact CB-CD2 4.47Å; I72-F79 HydrophobicContact CB-CE2 4.22Å; I72-F79 HydrophobicContact CD1-CD2 4.15Å; I72-F79 HydrophobicContact CD1-CE2 4.36Å; I72-F79 HydrophobicContact CG1-CD2 4.22Å; I72-F79 HydrophobicContact CG1-CE2 4.42Å; Q77-F79 HydrophobicContact CB-CE2 3.83Å; Q77-F79 HydrophobicContact CB-CZ 4.24Å; Q77-F79 VanDerWaalsContact O-CD2 3.25Å; Q77-F79 WeakPolarHBondContact O-CD2 3.39Å; Q77-F79 VanDerWaalsContact O-CE2 3.23Å; Q77-F79 WeakPolarHBondContact O-CE2 3.42Å; F79-V81 HydrophobicContact CB-CG1 4.35Å; F79-V92 HydrophobicContact CB-CG1 4.03Å; F79-V92 HydrophobicContact CD1-CB 3.94Å; F79-V92 HydrophobicContact CD1-CG1 3.97Å; F79-V92 HydrophobicContact CD2-CG1 4.24Å; F79-V92 HydrophobicContact CE1-CB 4.14Å; F79-V92 HydrophobicContact CE1-CG2 4.32Å; F79-V92 HydrophobicContact CG-CB 4.25Å; F79-V92 HydrophobicContact CG-CG1 3.79Å; F79-V92 HydrophobicContact CZ-CG2 4.38Å; F79-R108 HydrophobicContact CD1-CB 4.01Å; F79-R108 HydrophobicContact CE1-CB 3.99Å; F79-Y110 HydrophobicContact CE2-CD2 4.47Å; F79-Y110 HydrophobicContact CZ-CD2 4.49Å; F79-D172 HydrophobicContact CB-CB 4.35Å; F79-D172 HydrophobicContact CD1-CB 4.04Å
80S94.3Very high96.3Very high10 Ų1017.6 Ų17.67%0.0711%0.11CC..EExtended strand (participates in β ladder)trans-93.7125.2170.9-70.80000107.6G68 D69 R108 F171 D172 G173G68-S80 CarbonylContact O-C 3.53Å; G68-S80 WeakPolarHBondContact O-CA 3.24Å; D69-S80 WeakPolarHBondContact OD1-CA 3.46Å; D69-S80 PolarHBondContact OD1-OG 2.89Å; S80-R108 PolarHBondContact OG-NH2 3.18Å; S80-F171 CarbonylContact O-C 3.5Å; S80-D172 PolarHBondContact N-OD2 2.94Å; S80-D172 PolarHBondContact O-N 3.23Å; S80-G173 PolarHBondContact O-N 3.17Å
81V94.6Very high96.3Very high0 Ų017.6 Ų17.60%011%0.11CC..EExtended strand (participates in β ladder)trans-128.8147.7-174.7-63.30000112Y67 G68 I70 F79 F83 V92 G173 L175Y67-V81 WeakPolarHBondContact CA-O 3.34Å; Y67-V81 WeakPolarHBondContact CB-O 3.27Å; G68-V81 PolarHBondContact N-O 3.33Å; G68-V81 PolarHBondContact O-N 2.83Å; I70-V81 HydrophobicContact CD1-CG1 3.64Å; I70-V81 HydrophobicContact CD1-CG2 4.11Å; I70-V81 HydrophobicContact CG1-CG1 3.84Å; I70-V81 HydrophobicContact CG1-CG2 3.97Å; I70-V81 HydrophobicContact CG2-CG2 3.93Å; F79-V81 HydrophobicContact CB-CG1 4.35Å; V81-F83 HydrophobicContact CG2-CE1 4.19Å; V81-F83 HydrophobicContact CG2-CE2 4.34Å; V81-F83 HydrophobicContact CG2-CZ 4.02Å; V81-V92 HydrophobicContact CG1-CG1 4.47Å; V81-G173 VanDerWaalsContact CA-O 3.25Å; V81-G173 WeakPolarHBondContact CA-O 3.05Å; V81-L175 HydrophobicContact CB-CB 4.35Å; V81-L175 HydrophobicContact CG2-CB 3.97Å
82V92.3Very high96.2Very high2 Ų216.3 Ų16.31%0.01210%0.102CC..EExtended strand (participates in β ladder)trans-78.2126.1164.4178.90000108A64 D84 F171 G173 L175A64-V82 HydrophobicContact CB-CG1 4.3Å; A64-V82 HydrophobicContact CB-CG2 3.77Å; V82-D84 HydrophobicContact CG1-CB 4.3Å; V82-D84 PolarHBondContact O-N 3.46Å; V82-F171 HydrophobicContact CG2-CB 4.23Å; V82-F171 HydrophobicContact CG2-CD1 3.49Å; V82-F171 VanDerWaalsContact CG2-CD1 3.49Å; V82-F171 HydrophobicContact CG2-CD2 3.89Å; V82-F171 HydrophobicContact CG2-CE1 3.7Å; V82-F171 HydrophobicContact CG2-CE2 4.08Å; V82-F171 HydrophobicContact CG2-CG 3.6Å; V82-F171 HydrophobicContact CG2-CZ 3.99Å; V82-G173 PolarHBondContact N-O 2.79Å; V82-G173 VanDerWaalsContact N-O 3.11Å; V82-L175 PolarHBondContact O-N 3.07Å
83F95.2Very high96.1Very high4 Ų416.2 Ų16.22%0.01810%0.101CC..EExtended strand (participates in β ladder)trans-85.2100.8171.5-64.3-82.6000108.7I18 L20 I70 V81 L145 L175 M177 F207 L221 T271I18-F83 HydrophobicContact CG2-CE2 4.03Å; I18-F83 HydrophobicContact CG2-CZ 4.03Å; L20-F83 HydrophobicContact CD2-CD2 3.63Å; L20-F83 HydrophobicContact CD2-CE2 3.83Å; I70-F83 HydrophobicContact CG2-CE1 4.43Å; I70-F83 HydrophobicContact CG2-CZ 4.39Å; V81-F83 HydrophobicContact CG2-CE1 4.19Å; V81-F83 HydrophobicContact CG2-CE2 4.34Å; V81-F83 HydrophobicContact CG2-CZ 4.02Å; F83-L145 HydrophobicContact CE1-CD1 3.89Å; F83-L145 HydrophobicContact CE1-CD2 3.72Å; F83-L145 HydrophobicContact CZ-CD1 3.63Å; F83-L145 HydrophobicContact CZ-CD2 4.3Å; F83-L175 HydrophobicContact CD1-CB 4.32Å; F83-L175 HydrophobicContact CD1-CD1 4.32Å; F83-L175 HydrophobicContact CD1-CD2 4.14Å; F83-L175 HydrophobicContact CD1-CG 4.5Å; F83-L175 HydrophobicContact CE1-CD1 4Å; F83-M177 HydrophobicContact CB-SD 3.73Å; F83-M177 HydrophobicContact CD1-SD 4.05Å; F83-M177 HydrophobicContact CG-SD 4.33Å; F83-F207 HydrophobicContact CB-CE1 4.13Å; F83-F207 HydrophobicContact CB-CZ 3.73Å; F83-L221 HydrophobicContact CB-CD2 4.16Å; F83-L221 HydrophobicContact CD1-CD2 3.43Å; F83-L221 VanDerWaalsContact CD1-CD2 3.43Å; F83-L221 HydrophobicContact CD2-CD2 3.99Å; F83-L221 HydrophobicContact CE1-CD2 3.72Å; F83-L221 HydrophobicContact CE2-CD2 4.23Å; F83-L221 HydrophobicContact CG-CD2 3.59Å; F83-L221 HydrophobicContact CZ-CD2 4.12Å; F83-T271 WeakPolarHBondContact O-CB 3.22Å; F83-T271 PolarHBondContact O-OG1 3.39Å
84D94.1Very high96.1Very high0 Ų016 Ų160%010%0.099CC..EExtended strand (participates in β ladder)trans-109.6106.5-165.5178.214.8000111.2Y61 V82 G86 S87 I174 L175 G176 M177 G272Y61-D84 WeakPolarHBondContact CE1-OD2 3.16Å; Y61-D84 PolarHBondContact OH-OD2 3.23Å; V82-D84 HydrophobicContact CG1-CB 4.3Å; V82-D84 PolarHBondContact O-N 3.46Å; D84-G86 PolarHBondContact O-N 2.74Å; D84-G86 VanDerWaalsContact O-N 3.13Å; D84-G86 WeakPolarHBondContact OD1-CA 3.33Å; D84-G86 PolarHBondContact OD1-N 3.41Å; D84-S87 VanDerWaalsContact CB-OG 3.31Å; D84-S87 WeakPolarHBondContact CB-OG 3.09Å; D84-S87 PolarHBondContact O-N 2.88Å; D84-S87 WeakPolarHBondContact OD2-CB 3.24Å; D84-S87 PolarHBondContact OD2-OG 3.03Å; D84-I174 HydrophobicContact CB-CG2 3.83Å; D84-L175 PolarHBondContact N-O 3.09Å; D84-G176 CarbonylContact O-C 3.6Å; D84-G176 WeakPolarHBondContact O-CA 3.2Å; D84-M177 PolarHBondContact O-N 3.15Å; D84-G272 VanDerWaalsContact OD1-CA 3.3Å; D84-G272 WeakPolarHBondContact OD1-CA 3.39Å; D84-G272 PolarHBondContact OD1-N 2.79Å
85T95.5Very high96Very high1 Ų117.6 Ų17.61%0.00610%0.101CC..THydrogen-bonded Turntrans-720.6174.361.20000113.2M177 F205 F207 W246 A269 D270 T271 F370T85-M177 HydrophobicContact CG2-CB 4.06Å; T85-F205 HydrophobicContact CG2-CE2 3.74Å; T85-F205 HydrophobicContact CG2-CZ 4.15Å; T85-F207 HydrophobicContact CG2-CE2 4.07Å; T85-W246 VanDerWaalsContact O-CD1 3.27Å; T85-A269 PolarHBondContact OG1-O 2.74Å; T85-D270 VanDerWaalsContact OG1-CA 3.28Å; T85-D270 WeakPolarHBondContact OG1-CA 3.4Å; T85-T271 HydrophobicContact CG2-CG2 4.04Å; T85-T271 PolarHBondContact N-OG1 2.63Å; T85-T271 PolarHBondContact OG1-N 3.19Å; T85-T271 PolarHBondContact OG1-OG1 2.64Å; T85-F370 HydrophobicContact CG2-CD1 4.26Å; T85-F370 HydrophobicContact CG2-CD2 4.34Å; T85-F370 HydrophobicContact CG2-CE1 3.84Å; T85-F370 HydrophobicContact CG2-CE2 3.95Å; T85-F370 HydrophobicContact CG2-CG 4.48Å; T85-F370 HydrophobicContact CG2-CZ 3.67Å
86G91Very high95.9Very high1 Ų119.4 Ų19.41%0.0110%0.097CC..THydrogen-bonded Turntrans-94-12.2175.700000116.9K59 D84 Y245 D270K59-G86 WeakPolarHBondContact CE-O 3.32Å; D84-G86 PolarHBondContact O-N 2.74Å; D84-G86 VanDerWaalsContact O-N 3.13Å; D84-G86 WeakPolarHBondContact OD1-CA 3.33Å; D84-G86 PolarHBondContact OD1-N 3.41Å; G86-Y245 WeakPolarHBondContact O-CD1 3.45Å; G86-Y245 VanDerWaalsContact O-CE1 3.25Å; G86-Y245 WeakPolarHBondContact O-CE1 3.44Å; G86-D270 WeakPolarHBondContact CA-OD1 3.46Å; G86-D270 PolarHBondContact N-OD1 2.86Å
87S92.4Very high95.6Very high0 Ų016.5 Ų16.50%08%0.078CC..  trans-132169.6-177.3520000110.2E56 D84 G176 M177 A178E56-S87 VanDerWaalsContact OE1-CB 3.24Å; E56-S87 WeakPolarHBondContact OE1-CB 3.5Å; E56-S87 WeakPolarHBondContact OE2-CB 3.01Å; D84-S87 VanDerWaalsContact CB-OG 3.31Å; D84-S87 WeakPolarHBondContact CB-OG 3.09Å; D84-S87 PolarHBondContact O-N 2.88Å; D84-S87 WeakPolarHBondContact OD2-CB 3.24Å; D84-S87 PolarHBondContact OD2-OG 3.03Å; S87-G176 VanDerWaalsContact C-CA 3.46Å; S87-G176 CarbonylContact O-C 3.45Å; S87-G176 WeakPolarHBondContact O-CA 3.17Å; S87-G176 WeakPolarHBondContact OG-CA 3.39Å; S87-M177 PolarHBondContact O-N 3.35Å; S87-A178 WeakPolarHBondContact O-CB 3.37Å; S87-A178 PolarHBondContact O-N 2.85Å
88S96Very high95.2Very high0 Ų017.4 Ų17.40%09%0.088CC..  trans-126.4-15.3-177.1-78.30000113.8E56 A178 Y179 I182 P189E56-S88 PolarHBondContact OE1-N 2.78Å; S88-A178 VanDerWaalsContact OG-C 3.26Å; S88-A178 WeakPolarHBondContact OG-CB 3.27Å; S88-Y179 PolarHBondContact OG-N 3.28Å; S88-Y179 PolarHBondContact OG-O 3.28Å; S88-I182 WeakPolarHBondContact OG-CG1 3.25Å; S88-P189 WeakPolarHBondContact O-CB 3.39Å
89N96.4Very high94.5Very high2 Ų224.5 Ų24.51%0.01111%0.11CC..  trans-87.6145.7176.9-66.895.4000112.3E56 F125 G176 S183 V184E56-N89 PolarHBondContact OE1-N 2.95Å; E56-N89 PolarHBondContact OE1-OD1 2.96Å; E56-N89 VanDerWaalsContact OE1-OD1 3.13Å; N89-F125 HydrophobicContact CB-CE2 4.14Å; N89-F125 HydrophobicContact CB-CZ 3.77Å; N89-F125 WeakPolarHBondContact ND2-CE2 3.46Å; N89-G176 PolarHBondContact O-N 2.93Å; N89-S183 PolarHBondContact ND2-OG 2.69Å; N89-S183 PolarHBondContact OD1-OG 3.28Å; N89-V184 PolarHBondContact ND2-O 3.26Å; N89-V184 VanDerWaalsContact ND2-O 3.14Å; N89-V184 WeakPolarHBondContact OD1-CB 3.4Å; N89-V184 PolarHBondContact OD1-N 3.44Å
90L97.8Very high93.9Very high3 Ų333.6 Ų33.62%0.01615%0.149CC..EExtended strand (participates in β ladder)trans-93.9135.2159.4168.564.6000108.3I70 I72 L143 Q153 F155 G156 I174 L175 V190I70-L90 HydrophobicContact CD1-CD1 3.78Å; I72-L90 HydrophobicContact CD1-CD2 4.35Å; L90-L143 HydrophobicContact CD2-CD1 3.27Å; L90-Q153 HydrophobicContact CD2-CG 4.16Å; L90-F155 HydrophobicContact CB-CB 3.98Å; L90-F155 HydrophobicContact CD2-CB 3.74Å; L90-F155 HydrophobicContact CD2-CG 4.35Å; L90-F155 HydrophobicContact CG-CB 3.66Å; L90-F155 CarbonylContact O-C 3.58Å; L90-F155 WeakPolarHBondContact O-CA 3.37Å; L90-F155 WeakPolarHBondContact O-CB 3.41Å; L90-G156 PolarHBondContact O-N 2.92Å; L90-I174 VanDerWaalsContact CA-O 3.32Å; L90-I174 WeakPolarHBondContact CA-O 3.44Å; L90-I174 WeakPolarHBondContact CD1-O 3.18Å; L90-L175 HydrophobicContact CD1-CB 4.04Å; L90-L175 HydrophobicContact CD1-CD1 4.45Å; L90-L175 HydrophobicContact CD1-CG 4.24Å; L90-V190 HydrophobicContact CB-CG2 4.1Å; L90-V190 HydrophobicContact CD2-CG2 4Å
91W97.1Very high93.5Very high1 Ų133.9 Ų33.90%0.00415%0.15CC..EExtended strand (participates in β ladder)trans-145.9150.9167.364-97000111.7F125 Y129 L134 G156 A158 Q161 F166 D172 G173 I174W91-F125 HydrophobicContact CB-CE1 4.07Å; W91-Y129 AromaticContact NE1-CZ 3.84Å; W91-Y129 PolarHBondContact NE1-OH 2.81Å; W91-L134 HydrophobicContact CD2-CD1 4.44Å; W91-L134 HydrophobicContact CD2-CD2 3.49Å; W91-L134 VanDerWaalsContact CD2-CD2 3.49Å; W91-L134 HydrophobicContact CE3-CD2 3.97Å; W91-L134 HydrophobicContact CG-CD1 4.34Å; W91-L134 HydrophobicContact CG-CD2 3.99Å; W91-L134 HydrophobicContact CH2-CD2 3.95Å; W91-L134 HydrophobicContact CZ2-CD2 3.42Å; W91-L134 VanDerWaalsContact CZ2-CD2 3.42Å; W91-L134 HydrophobicContact CZ3-CD2 4.2Å; W91-G156 CarbonylContact C-O 3.59Å; W91-G156 WeakPolarHBondContact CA-O 3.36Å; W91-G156 WeakPolarHBondContact CB-O 3.46Å; W91-A158 HydrophobicContact CE3-CB 4.12Å; W91-Q161 VanDerWaalsContact CZ3-NE2 3.25Å; W91-F166 AromaticContact CH2-CD1 3.93Å; W91-F166 HydrophobicContact CH2-CD1 3.93Å; W91-F166 AromaticContact CH2-CE1 3.76Å; W91-F166 HydrophobicContact CH2-CE1 3.76Å; W91-F166 HydrophobicContact CH2-CZ 4.47Å; W91-F166 HydrophobicContact CZ2-CD1 4.37Å; W91-F166 AromaticContact CZ2-CE1 3.74Å; W91-F166 HydrophobicContact CZ2-CE1 3.74Å; W91-F166 HydrophobicContact CZ2-CZ 4.29Å; W91-D172 WeakPolarHBondContact CZ3-O 3.39Å; W91-G173 WeakPolarHBondContact O-CA 3.06Å; W91-I174 HydrophobicContact CH2-CG1 4.36Å; W91-I174 HydrophobicContact CZ2-CB 4.11Å; W91-I174 HydrophobicContact CZ2-CD1 3.47Å; W91-I174 VanDerWaalsContact CZ2-CD1 3.47Å; W91-I174 HydrophobicContact CZ2-CG1 3.47Å; W91-I174 VanDerWaalsContact CZ2-CG1 3.47Å; W91-I174 PolarHBondContact N-O 2.87Å; W91-I174 PolarHBondContact O-N 2.94Å
92V97.3Very high93.1Very high0 Ų038.8 Ų38.80%018%0.175CC..EExtended strand (participates in β ladder)trans-139.8158173.8-65.20000110.2I72 F79 V81 F155 G156 A158I72-V92 HydrophobicContact CD1-CG1 3.98Å; I72-V92 HydrophobicContact CD1-CG2 3.94Å; F79-V92 HydrophobicContact CB-CG1 4.03Å; F79-V92 HydrophobicContact CD1-CB 3.94Å; F79-V92 HydrophobicContact CD1-CG1 3.97Å; F79-V92 HydrophobicContact CD2-CG1 4.24Å; F79-V92 HydrophobicContact CE1-CB 4.14Å; F79-V92 HydrophobicContact CE1-CG2 4.32Å; F79-V92 HydrophobicContact CG-CB 4.25Å; F79-V92 HydrophobicContact CG-CG1 3.79Å; F79-V92 HydrophobicContact CZ-CG2 4.38Å; V81-V92 HydrophobicContact CG1-CG1 4.47Å; V92-F155 HydrophobicContact CG2-CD2 4.01Å; V92-F155 HydrophobicContact CG2-CE2 3.75Å; V92-G156 PolarHBondContact N-O 2.85Å; V92-A158 PolarHBondContact O-N 3.29Å
93P96.5Very high92.7Very high0 Ų038.7 Ų38.70%018%0.175CC..EExtended strand (participates in β ladder)trans-62.6140.2177.1-20.333.5000111.2H107 R108 K109 Y110 D172P93-H107 HydrophobicContact CG-CB 4.04Å; P93-R108 WeakPolarHBondContact CB-O 2.91Å; P93-R108 WeakPolarHBondContact CG-O 3.02Å; P93-K109 HydrophobicContact CB-CG 4.33Å; P93-K109 CarbonylContact O-C 3.53Å; P93-K109 WeakPolarHBondContact O-CA 3.42Å; P93-Y110 PolarHBondContact O-N 2.85Å; P93-D172 WeakPolarHBondContact CD-O 3.5Å; P93-D172 HydrophobicContact CG-CB 4.47Å; P93-D172 VanDerWaalsContact CG-O 3.29Å; P93-D172 WeakPolarHBondContact CG-O 3.47Å
94S97.8Very high92.3Very high0 Ų038.5 Ų38.50%017%0.174CC..BIsolated β-bridgetrans-93.5149.1179.7-176.10000111.9Y96 C97 C104 E157 A158S94-Y96 PolarHBondContact O-N 3.42Å; S94-Y96 WeakPolarHBondContact OG-CD2 3.44Å; S94-Y96 PolarHBondContact OG-N 3.4Å; S94-Y96 VanDerWaalsContact OG-N 3.08Å; S94-C97 WeakPolarHBondContact O-CB 3.4Å; S94-C97 PolarHBondContact O-N 3.03Å; S94-C97 PolarHBondContact O-SG 2.55Å; S94-C104 PolarHBondContact O-SG 3.31Å; S94-E157 WeakPolarHBondContact CB-OE2 3.4Å; S94-E157 PolarHBondContact OG-OE2 2.71Å; S94-A158 WeakPolarHBondContact CB-O 3.2Å; S94-A158 PolarHBondContact N-O 2.99Å
95K96.5Very high92Very high94 Ų9442.8 Ų42.841%0.40920%0.197SC..THydrogen-bonded Turntrans-58.2-26.6164.8173.4174.9173.4-176.50112.6C97 Y110 D111 S113K95-C97 VanDerWaalsContact C-N 3.25Å; K95-C97 PolarHBondContact O-N 3.43Å; K95-Y110 VanDerWaalsContact CB-O 3.27Å; K95-Y110 WeakPolarHBondContact CB-O 3.38Å; K95-Y110 PolarHBondContact N-O 2.96Å; K95-D111 HydrophobicContact CB-CB 4.43Å; K95-D111 HydrophobicContact CD-CB 3.87Å; K95-D111 WeakPolarHBondContact CD-OD1 3.4Å; K95-D111 WeakPolarHBondContact CD-OD2 3.37Å; K95-D111 IonicContact NZ-OD1 3.82Å; K95-D111 PolarHBondContact NZ-OD1 3.02Å; K95-D111 IonicContact NZ-OD2 2.92Å; K95-D111 PolarHBondContact NZ-OD2 2.98Å; K95-S113 PolarHBondContact NZ-OG 3.28Å
96Y95.4Very high91.7Very high125 Ų12548.1 Ų48.149%0.4922%0.224SC..THydrogen-bonded Turntrans-85.88.1-178.8-55.4-73.1000113.4S94 S112 F137S94-Y96 PolarHBondContact O-N 3.42Å; S94-Y96 WeakPolarHBondContact OG-CD2 3.44Å; S94-Y96 PolarHBondContact OG-N 3.4Å; S94-Y96 VanDerWaalsContact OG-N 3.08Å; Y96-S112 PolarHBondContact OH-OG 3.27Å; Y96-F137 HydrophobicContact CD2-CE1 4.48Å; Y96-F137 AromaticContact CD2-CZ 3.93Å; Y96-F137 HydrophobicContact CD2-CZ 3.93Å
97C93.8Very high91.7Very high15 Ų1549.1 Ų49.110%0.10123%0.229CC..SBendtrans-63.6154.3174.670.80000112.3S94 K95 C104 T159S94-C97 WeakPolarHBondContact O-CB 3.4Å; S94-C97 PolarHBondContact O-N 3.03Å; S94-C97 PolarHBondContact O-SG 2.55Å; K95-C97 VanDerWaalsContact C-N 3.25Å; K95-C97 PolarHBondContact O-N 3.43Å; C97-C104 HydrophobicContact CB-CB 3.62Å; C97-C104 WeakPolarHBondContact CB-SG 3.38Å; C97-C104 WeakPolarHBondContact SG-CB 3.33Å; C97-C104 CovalentContact SG-SG 2.02Å; C97-C104 PolarHBondContact SG-SG 3.23Å; C97-T159 WeakPolarHBondContact CA-O 3.37Å; C97-T159 WeakPolarHBondContact CB-O 3.1Å
98S88.5Confident91.9Very high49 Ų4953.7 Ų53.734%0.34325%0.246SC..  trans-63.2143-179.6179.40000111.7F100 D101 T159S98-F100 PolarHBondContact O-N 3Å; S98-F100 VanDerWaalsContact O-N 3.07Å; S98-F100 WeakPolarHBondContact OG-CD2 3.34Å; S98-F100 PolarHBondContact OG-N 2.87Å; S98-D101 WeakPolarHBondContact O-CB 3.22Å; S98-D101 PolarHBondContact O-N 3.17Å; S98-T159 PolarHBondContact N-O 2.83Å
99Y83.4Confident92Very high206 Ų20657 Ų5781%0.80826%0.261SS*.THydrogen-bonded Turntrans-60.7-15.4169.7-68.2-76.5000113.3L105Y99-L105 WeakPolarHBondContact O-CD1 3.47Å
100F85.1Confident92.1Very high192 Ų19256.9 Ų56.984%0.84226%0.26SS*.THydrogen-bonded Turntrans-90.6-5.2175.4-56.8-68.8000113.2S98 I102S98-F100 PolarHBondContact O-N 3Å; S98-F100 VanDerWaalsContact O-N 3.07Å; S98-F100 WeakPolarHBondContact OG-CD2 3.34Å; S98-F100 PolarHBondContact OG-N 2.87Å; F100-I102 PolarHBondContact O-N 2.98Å
101D86.3Confident92.1Very high16 Ų1657.1 Ų57.19%0.08626%0.261CS..  trans-84.793176.1-169-28.5000110.7S98 A103 C104 L105 Q160 Q161S98-D101 WeakPolarHBondContact O-CB 3.22Å; S98-D101 PolarHBondContact O-N 3.17Å; D101-A103 VanDerWaalsContact C-N 3.27Å; D101-A103 PolarHBondContact O-N 3.07Å; D101-A103 WeakPolarHBondContact OD1-CB 3.2Å; D101-A103 PolarHBondContact OD1-N 2.96Å; D101-A103 VanDerWaalsContact OD1-N 3.07Å; D101-C104 HydrophobicContact CB-CB 3.92Å; D101-C104 PolarHBondContact O-N 3.38Å; D101-C104 PolarHBondContact OD1-N 3.36Å; D101-L105 WeakPolarHBondContact O-CG 3.29Å; D101-L105 PolarHBondContact O-N 3.25Å; D101-Q160 VanDerWaalsContact OD2-CA 3.26Å; D101-Q160 WeakPolarHBondContact OD2-CA 3.37Å; D101-Q161 PolarHBondContact OD2-N 2.86Å
102I85.9Confident92.2Very high103 Ų10357.3 Ų57.353%0.52826%0.263SS..Hα-helixtrans-60.3-38.2-179.6-60.8172.9000111.3F100 L105 L106 V167F100-I102 PolarHBondContact O-N 2.98Å; I102-L105 PolarHBondContact O-N 2.89Å; I102-L106 HydrophobicContact CG2-CD1 3.96Å; I102-L106 HydrophobicContact CG2-CG 4.41Å; I102-L106 WeakPolarHBondContact O-CG 3.29Å; I102-L106 PolarHBondContact O-N 2.92Å; I102-V167 HydrophobicContact CB-CG2 4.28Å; I102-V167 HydrophobicContact CG2-CG1 4.14Å; I102-V167 HydrophobicContact CG2-CG2 4.19Å
103A84Confident92.2Very high1 Ų161.3 Ų61.31%0.00829%0.291CS..Hα-helixtrans-63.3-47.7-179.800000109.8D101 L105 L106 H107 Q161 F166 V167D101-A103 VanDerWaalsContact C-N 3.27Å; D101-A103 PolarHBondContact O-N 3.07Å; D101-A103 WeakPolarHBondContact OD1-CB 3.2Å; D101-A103 PolarHBondContact OD1-N 2.96Å; D101-A103 VanDerWaalsContact OD1-N 3.07Å; A103-L105 VanDerWaalsContact C-N 3.32Å; A103-L105 PolarHBondContact O-N 2.84Å; A103-L106 PolarHBondContact O-N 2.84Å; A103-H107 PolarHBondContact O-N 2.8Å; A103-H107 PolarHBondContact O-ND1 3.06Å; A103-Q161 HydrophobicContact CB-CB 4.03Å; A103-F166 HydrophobicContact CB-CB 3.65Å; A103-V167 HydrophobicContact CB-CG2 3.83Å
104C88.1Confident92.3Very high0 Ų067.6 Ų67.60%032%0.318CS..Hα-helixtrans-61.4-40176.3-174.50000112.1S94 C97 D101 L106 H107 K109S94-C104 PolarHBondContact O-SG 3.31Å; C97-C104 HydrophobicContact CB-CB 3.62Å; C97-C104 WeakPolarHBondContact CB-SG 3.38Å; C97-C104 WeakPolarHBondContact SG-CB 3.33Å; C97-C104 CovalentContact SG-SG 2.02Å; C97-C104 PolarHBondContact SG-SG 3.23Å; D101-C104 HydrophobicContact CB-CB 3.92Å; D101-C104 PolarHBondContact O-N 3.38Å; D101-C104 PolarHBondContact OD1-N 3.36Å; C104-L106 VanDerWaalsContact C-N 3.3Å; C104-L106 PolarHBondContact O-N 3Å; C104-H107 PolarHBondContact O-N 2.8Å; C104-K109 PolarHBondContact O-NZ 2.98Å
105L87.9Confident92.3Very high89 Ų8968.2 Ų68.247%0.46632%0.322SS..Hα-helixtrans-61.5-34.8179.7-72.8-179.7000113.6Y99 D101 I102 A103 H107 K109Y99-L105 WeakPolarHBondContact O-CD1 3.47Å; D101-L105 WeakPolarHBondContact O-CG 3.29Å; D101-L105 PolarHBondContact O-N 3.25Å; I102-L105 PolarHBondContact O-N 2.89Å; A103-L105 VanDerWaalsContact C-N 3.32Å; A103-L105 PolarHBondContact O-N 2.84Å; L105-H107 VanDerWaalsContact C-N 3.35Å; L105-K109 PolarHBondContact O-NZ 2.97Å
106L88.8Confident92.4Very high113 Ų11368.4 Ų68.459%0.59234%0.336SS*.Hα-helixtrans-80.6-13.9-178.6-66.4172.5000114.1I102 A103 C104 V167I102-L106 HydrophobicContact CG2-CD1 3.96Å; I102-L106 HydrophobicContact CG2-CG 4.41Å; I102-L106 WeakPolarHBondContact O-CG 3.29Å; I102-L106 PolarHBondContact O-N 2.92Å; A103-L106 PolarHBondContact O-N 2.84Å; C104-L106 VanDerWaalsContact C-N 3.3Å; C104-L106 PolarHBondContact O-N 3Å; L106-V167 HydrophobicContact CD1-CG1 3.88Å
107H91.9Very high92.6Very high23 Ų2364.6 Ų64.611%0.10633%0.325CS..SBendtrans-111.9163.3-175-68.392.1000112.7P93 A103 C104 L105 K109 F166 A169 F171 D172P93-H107 HydrophobicContact CG-CB 4.04Å; A103-H107 PolarHBondContact O-N 2.8Å; A103-H107 PolarHBondContact O-ND1 3.06Å; C104-H107 PolarHBondContact O-N 2.8Å; L105-H107 VanDerWaalsContact C-N 3.35Å; H107-K109 PolarHBondContact O-NZ 2.81Å; H107-K109 VanDerWaalsContact O-NZ 3.12Å; H107-F166 PolarHBondContact CE1-O 2.98Å; H107-A169 PolarHBondContact NE2-O 2.89Å; H107-F171 PolarHBondContact CD2-O 3.19Å; H107-F171 PolarHBondContact NE2-O 3.38Å; H107-D172 HydrophobicContact CB-CB 4.39Å; H107-D172 WeakPolarHBondContact CB-OD1 3.34Å; H107-D172 IonicContact CD2-OD1 3.12Å; H107-D172 IonicContact CG-OD1 2.8Å
108R96Very high92.8Very high96 Ų9667 Ų6736%0.36233%0.333SS..  trans-64.2146.1171.3-69.5178.7-71.2-160.9-16.5109.4T78 F79 S80 P93 D172T78-R108 WeakPolarHBondContact O-CD 3.44Å; T78-R108 PolarHBondContact O-NE 3.46Å; T78-R108 PolarHBondContact O-NH1 2.79Å; F79-R108 HydrophobicContact CD1-CB 4.01Å; F79-R108 HydrophobicContact CE1-CB 3.99Å; S80-R108 PolarHBondContact OG-NH2 3.18Å; P93-R108 WeakPolarHBondContact CB-O 2.91Å; P93-R108 WeakPolarHBondContact CG-O 3.02Å; R108-D172 IonicContact CZ-OD2 3.73Å; R108-D172 PolarHBondContact N-OD1 3.02Å; R108-D172 IonicContact NE-OD1 2.82Å; R108-D172 IonicContact NE-OD2 3.85Å; R108-D172 PolarHBondContact NE-OD2 2.86Å; R108-D172 IonicContact NH2-OD2 3.51Å; R108-D172 PolarHBondContact NH2-OD2 2.89Å
109K97.1Very high93.3Very high69 Ų6969.4 Ų69.430%0.334%0.341SS..  trans-123.5133.8-174.1-73.8171.6-96.5-68.40110.2P93 C104 L105 H107P93-K109 HydrophobicContact CB-CG 4.33Å; P93-K109 CarbonylContact O-C 3.53Å; P93-K109 WeakPolarHBondContact O-CA 3.42Å; C104-K109 PolarHBondContact O-NZ 2.98Å; L105-K109 PolarHBondContact O-NZ 2.97Å; H107-K109 PolarHBondContact O-NZ 2.81Å; H107-K109 VanDerWaalsContact O-NZ 3.12Å
110Y98.6Very high94Very high0 Ų064.1 Ų64.10%033%0.331CS..BIsolated β-bridgetrans-73.4125.2171175.2-104.4000110.3I72 F79 P93 K95 Y118 D141 F155 E157I72-Y110 HydrophobicContact CB-CD2 4.29Å; I72-Y110 HydrophobicContact CB-CE2 4.41Å; I72-Y110 HydrophobicContact CG2-CD2 3.94Å; I72-Y110 HydrophobicContact CG2-CE2 3.68Å; F79-Y110 HydrophobicContact CE2-CD2 4.47Å; F79-Y110 HydrophobicContact CZ-CD2 4.49Å; P93-Y110 PolarHBondContact O-N 2.85Å; K95-Y110 VanDerWaalsContact CB-O 3.27Å; K95-Y110 WeakPolarHBondContact CB-O 3.38Å; K95-Y110 PolarHBondContact N-O 2.96Å; Y110-Y118 WeakPolarHBondContact OH-CD2 3.47Å; Y110-D141 PolarHBondContact OH-OD2 3.13Å; Y110-F155 HydrophobicContact CD1-CE2 4.02Å; Y110-F155 AromaticContact CD1-CZ 3.83Å; Y110-F155 HydrophobicContact CD1-CZ 3.83Å; Y110-F155 HydrophobicContact CD2-CZ 4.25Å; Y110-F155 HydrophobicContact CE1-CE2 4.28Å; Y110-F155 AromaticContact CE1-CZ 3.65Å; Y110-F155 HydrophobicContact CE1-CZ 3.65Å; Y110-F155 HydrophobicContact CE2-CZ 4.12Å; Y110-F155 HydrophobicContact CG-CE2 4.23Å; Y110-F155 HydrophobicContact CG-CZ 4.11Å; Y110-F155 AromaticContact CZ-CZ 3.81Å; Y110-E157 VanDerWaalsContact CD1-CD 3.41Å; Y110-E157 HydrophobicContact CD1-CG 3.75Å; Y110-E157 HydrophobicContact CE1-CG 4.23Å; Y110-E157 WeakPolarHBondContact CE1-OE1 3.41Å
111D98.5Very high94.6Very high8 Ų858.4 Ų58.44%0.04331%0.31CS..  trans-112.293.1178.7-172.1-8.8000108.9Q77 K95 S113 K114Q77-D111 PolarHBondContact NE2-O 2.02Å; K95-D111 HydrophobicContact CB-CB 4.43Å; K95-D111 HydrophobicContact CD-CB 3.87Å; K95-D111 WeakPolarHBondContact CD-OD1 3.4Å; K95-D111 WeakPolarHBondContact CD-OD2 3.37Å; K95-D111 IonicContact NZ-OD1 3.82Å; K95-D111 PolarHBondContact NZ-OD1 3.02Å; K95-D111 IonicContact NZ-OD2 2.92Å; K95-D111 PolarHBondContact NZ-OD2 2.98Å; D111-S113 PolarHBondContact O-N 3.05Å; D111-S113 WeakPolarHBondContact OD1-CB 3.28Å; D111-S113 PolarHBondContact OD1-N 2.87Å; D111-S113 PolarHBondContact OD1-OG 2.98Å; D111-K114 HydrophobicContact CB-CB 4.47Å; D111-K114 HydrophobicContact CB-CD 4.02Å; D111-K114 HydrophobicContact CB-CG 4.27Å; D111-K114 PolarHBondContact O-N 3.43Å; D111-K114 WeakPolarHBondContact OD2-CD 3.32Å; D111-K114 WeakPolarHBondContact OD2-CE 3.34Å; D111-K114 IonicContact OD2-NZ 2.59Å; D111-K114 PolarHBondContact OD2-NZ 3.37Å; D111-K114 VanDerWaalsContact OD2-NZ 3.12Å
112S98.3Very high95.1Very high5 Ų560.1 Ų60.14%0.03533%0.331CS..G310 helixtrans-58.1-30.7-179.862.60000112.8Y96 K114 S115Y96-S112 PolarHBondContact OH-OG 3.27Å; S112-K114 PolarHBondContact O-N 3.45Å; S112-K114 VanDerWaalsContact O-N 3.12Å; S112-S115 PolarHBondContact O-N 3.1Å; S112-S115 VanDerWaalsContact O-N 3.08Å
113S98.3Very high95.7Very high84 Ų8458.8 Ų58.859%0.58733%0.328SS*.G310 helixtrans-65.7-14.2178.374.30000114.2K95 D111K95-S113 PolarHBondContact NZ-OG 3.28Å; D111-S113 PolarHBondContact O-N 3.05Å; D111-S113 WeakPolarHBondContact OD1-CB 3.28Å; D111-S113 PolarHBondContact OD1-N 2.87Å; D111-S113 PolarHBondContact OD1-OG 2.98Å
114K98.3Very high96.2Very high132 Ų13266 Ų6657%0.57436%0.362SS*.G310 helixtrans-97.7-8.8176.7-68.4178.2-178154.40113.3P75 D111 S112P75-K114 WeakPolarHBondContact CD-O 3.47Å; D111-K114 HydrophobicContact CB-CB 4.47Å; D111-K114 HydrophobicContact CB-CD 4.02Å; D111-K114 HydrophobicContact CB-CG 4.27Å; D111-K114 PolarHBondContact O-N 3.43Å; D111-K114 WeakPolarHBondContact OD2-CD 3.32Å; D111-K114 WeakPolarHBondContact OD2-CE 3.34Å; D111-K114 IonicContact OD2-NZ 2.59Å; D111-K114 PolarHBondContact OD2-NZ 3.37Å; D111-K114 VanDerWaalsContact OD2-NZ 3.12Å; S112-K114 PolarHBondContact O-N 3.45Å; S112-K114 VanDerWaalsContact O-N 3.12Å
115S98.6Very high96.5Very high12 Ų1266 Ų668%0.08436%0.362CS..  trans-100.8121.1-176.4-176.80000111.8G73 T74 S112 T117 Y118 D141G73-S115 WeakPolarHBondContact CA-OG 3.48Å; T74-S115 PolarHBondContact N-OG 2.99Å; T74-S115 CarbonylContact O-C 3.39Å; T74-S115 VanDerWaalsContact O-CA 3.29Å; T74-S115 WeakPolarHBondContact O-CA 3.42Å; S112-S115 PolarHBondContact O-N 3.1Å; S112-S115 VanDerWaalsContact O-N 3.08Å; S115-T117 VanDerWaalsContact C-N 3.26Å; S115-T117 PolarHBondContact O-N 2.88Å; S115-T117 PolarHBondContact OG-N 2.88Å; S115-T117 PolarHBondContact OG-OG1 3.2Å; S115-Y118 PolarHBondContact OG-N 2.96Å; S115-D141 WeakPolarHBondContact CB-OD2 3.34Å; S115-D141 VanDerWaalsContact OG-CG 3.27Å; S115-D141 PolarHBondContact OG-OD1 2.91Å; S115-D141 PolarHBondContact OG-OD2 3.39Å
116S98.6Very high96.6Very high99 Ų9963.9 Ų63.969%0.69235%0.354SS*.THydrogen-bonded Turntrans-76.5-12.617566.30000113.6T74T74-S116 WeakPolarHBondContact CB-OG 3.43Å; T74-S116 WeakPolarHBondContact CG2-OG 3.48Å; T74-S116 PolarHBondContact O-N 2.97Å; T74-S116 PolarHBondContact O-OG 3.08Å
117T98.7Very high96.5Very high45 Ų4558.5 Ų58.528%0.27633%0.326SS..THydrogen-bonded Turntrans-102.31.1178.745.60000113.1T74 S115 D141T74-T117 WeakPolarHBondContact CB-OG1 3.18Å; T74-T117 PolarHBondContact N-OG1 3.48Å; T74-T117 VanDerWaalsContact OG1-CG2 3.25Å; T74-T117 WeakPolarHBondContact OG1-CG2 3.2Å; T74-T117 PolarHBondContact OG1-OG1 2.84Å; S115-T117 VanDerWaalsContact C-N 3.26Å; S115-T117 PolarHBondContact O-N 2.88Å; S115-T117 PolarHBondContact OG-N 2.88Å; S115-T117 PolarHBondContact OG-OG1 3.2Å; T117-D141 WeakPolarHBondContact CB-OD1 3.46Å; T117-D141 PolarHBondContact OG1-OD1 3.11Å
118Y98.8Very high95.9Very high66 Ų6661.1 Ų61.126%0.25934%0.338SS..  trans-64.7135.5176.1167.7-117.2000111.9Y110 S115 P120 D141Y110-Y118 WeakPolarHBondContact OH-CD2 3.47Å; S115-Y118 PolarHBondContact OG-N 2.96Å; Y118-P120 HydrophobicContact CE1-CB 4.18Å; Y118-P120 WeakPolarHBondContact OH-CA 3.41Å; Y118-P120 WeakPolarHBondContact OH-CB 3.35Å; Y118-D141 PolarHBondContact N-OD1 3.46Å
119I98.7Very high94.8Very high99 Ų9956.8 Ų56.851%0.50832%0.322SS..EExtended strand (participates in β ladder)trans-124.9121.5171.5-58.1170.9000107.6T140I119-T140 PolarHBondContact N-O 2.8Å; I119-T140 PolarHBondContact O-N 3.23Å; I119-T140 VanDerWaalsContact O-N 3.11Å
120P98.1Very high93.3Very high94 Ų9454.1 Ų54.161%0.6131%0.313SS*.EExtended strand (participates in β ladder)trans-67.4139.2178.528.2-34.3000111.2Y118Y118-P120 HydrophobicContact CE1-CB 4.18Å; Y118-P120 WeakPolarHBondContact OH-CA 3.41Å; Y118-P120 WeakPolarHBondContact OH-CB 3.35Å
121N97.7Very high91.6Very high72 Ų7255 Ų5539%0.38532%0.319SS..EExtended strand (participates in β ladder)trans-121.6-58.9170.9176.8-38.7000109.9T123 L138N121-T123 VanDerWaalsContact C-N 3.27Å; N121-T123 PolarHBondContact O-N 3.19Å; N121-T123 WeakPolarHBondContact OD1-CB 3.31Å; N121-T123 PolarHBondContact OD1-N 2.92Å; N121-T123 PolarHBondContact OD1-OG1 2.93Å; N121-L138 HydrophobicContact CB-CB 4.23Å; N121-L138 WeakPolarHBondContact CB-O 3.4Å
122G96.7Very high90.3Very high52 Ų5255.7 Ų55.754%0.53633%0.328SS..EExtended strand (participates in β ladder)trans78.8-0.7169.700000115.8E124 L138G122-E124 PolarHBondContact O-N 2.84Å; G122-L138 PolarHBondContact N-O 3.03Å
123T97.6Very high89.6Confident75 Ų7557.1 Ų57.146%0.4634%0.338SS..EExtended strand (participates in β ladder)trans-59.5133.3171.9-54.70000109.7N121 F137 L138N121-T123 VanDerWaalsContact C-N 3.27Å; N121-T123 PolarHBondContact O-N 3.19Å; N121-T123 WeakPolarHBondContact OD1-CB 3.31Å; N121-T123 PolarHBondContact OD1-N 2.92Å; N121-T123 PolarHBondContact OD1-OG1 2.93Å; T123-F137 CarbonylContact O-C 3.44Å; T123-F137 WeakPolarHBondContact O-CA 3.05Å; T123-F137 WeakPolarHBondContact O-CB 3.47Å; T123-L138 PolarHBondContact O-N 3.04Å
124E95.6Very high89.1Confident154 Ų15453.1 Ų53.172%0.7231%0.31SS*.EExtended strand (participates in β ladder)trans-61.4137.7177.2-172.6173.8-170.200110.3G122G122-E124 PolarHBondContact O-N 2.84Å
125F92.9Very high88.9Confident0 Ų048 Ų480%029%0.291CS..EExtended strand (participates in β ladder)trans-130.4132.1-176.2173.5-108.8000109.3N89 W91 V127 L134 S135 G136 L138 V184N89-F125 HydrophobicContact CB-CE2 4.14Å; N89-F125 HydrophobicContact CB-CZ 3.77Å; N89-F125 WeakPolarHBondContact ND2-CE2 3.46Å; W91-F125 HydrophobicContact CB-CE1 4.07Å; F125-V127 HydrophobicContact CD1-CG2 4.36Å; F125-V127 HydrophobicContact CE1-CG2 3.47Å; F125-V127 VanDerWaalsContact CE1-CG2 3.47Å; F125-V127 HydrophobicContact CE2-CG2 3.73Å; F125-V127 HydrophobicContact CZ-CG2 3.09Å; F125-L134 HydrophobicContact CD1-CD1 4.24Å; F125-L134 HydrophobicContact CE1-CD1 3.89Å; F125-S135 CarbonylContact O-C 3.54Å; F125-S135 WeakPolarHBondContact O-CA 3.49Å; F125-G136 PolarHBondContact N-O 3.44Å; F125-G136 PolarHBondContact O-N 2.89Å; F125-L138 HydrophobicContact CB-CD2 3.84Å; F125-L138 HydrophobicContact CB-CG 4.14Å; F125-L138 HydrophobicContact CD2-CD2 3.65Å; F125-L138 HydrophobicContact CE2-CD2 4.34Å; F125-L138 HydrophobicContact CG-CD2 3.81Å; F125-V184 HydrophobicContact CD2-CB 4.5Å; F125-V184 HydrophobicContact CD2-CG1 4.07Å; F125-V184 HydrophobicContact CE2-CB 3.93Å; F125-V184 HydrophobicContact CE2-CG1 3.97Å
126S91.8Very high88.8Confident43 Ų4347.9 Ų47.930%0.30129%0.291SS..EExtended strand (participates in β ladder)trans-145.3129.2179.9-173.40000111.3H128 L134 V184S126-H128 PolarHBondContact OG-CE1 2.95Å; S126-L134 WeakPolarHBondContact CA-O 3.36Å; S126-L134 PolarHBondContact OG-O 3.37Å; S126-V184 WeakPolarHBondContact O-CG1 3.38Å
127V85.6Confident88.7Confident1 Ų145.3 Ų45.31%0.00627%0.267CS..EExtended strand (participates in β ladder)trans-121.2133.8179.3-170.40000109.8E56 F125 Y129 S133 L134 V184E56-V127 HydrophobicContact CB-CG1 3.79Å; E56-V127 HydrophobicContact CG-CG1 4.15Å; E56-V127 VanDerWaalsContact OE2-CG1 3.23Å; E56-V127 WeakPolarHBondContact OE2-CG1 3.22Å; F125-V127 HydrophobicContact CD1-CG2 4.36Å; F125-V127 HydrophobicContact CE1-CG2 3.47Å; F125-V127 VanDerWaalsContact CE1-CG2 3.47Å; F125-V127 HydrophobicContact CE2-CG2 3.73Å; F125-V127 HydrophobicContact CZ-CG2 3.09Å; V127-Y129 HydrophobicContact CB-CE2 4.21Å; V127-Y129 HydrophobicContact CG1-CD1 4.03Å; V127-Y129 HydrophobicContact CG1-CD2 4.37Å; V127-Y129 HydrophobicContact CG1-CE1 3.42Å; V127-Y129 VanDerWaalsContact CG1-CE1 3.42Å; V127-Y129 HydrophobicContact CG1-CE2 3.81Å; V127-Y129 HydrophobicContact CG1-CG 4.49Å; V127-Y129 WeakPolarHBondContact CG1-OH 3.49Å; V127-S133 CarbonylContact O-C 3.59Å; V127-S133 WeakPolarHBondContact O-CA 3.41Å; V127-S133 VanDerWaalsContact O-CB 3.26Å; V127-S133 WeakPolarHBondContact O-CB 3.26Å; V127-L134 HydrophobicContact CB-CD1 4.44Å; V127-L134 HydrophobicContact CB-CG 4.22Å; V127-L134 HydrophobicContact CG2-CD1 4.34Å; V127-L134 PolarHBondContact N-O 2.78Å; V127-L134 PolarHBondContact O-N 2.87Å; V127-V184 HydrophobicContact CG2-CG2 4.34Å
128H79.6Confident88.7Confident77 Ų7743.5 Ų43.536%0.35626%0.256SS..EExtended strand (participates in β ladder)trans-113.5122.6175.3-66.274.8000109.3Q54 E56 Y57 S126Q54-H128 HydrophobicContact CB-CB 4.42Å; E56-H128 CarbonylContact C-O 3.52Å; E56-H128 VanDerWaalsContact C-O 3.25Å; Y57-H128 VanDerWaalsContact CA-O 3.28Å; Y57-H128 WeakPolarHBondContact CA-O 3.34Å; Y57-H128 HydrophobicContact CD2-CB 3.91Å; Y57-H128 HydrophobicContact CE2-CB 4.24Å; Y57-H128 PolarHBondContact N-O 2.82Å; S126-H128 PolarHBondContact OG-CE1 2.95Å
129Y72.9Confident88.7Confident6 Ų640.4 Ų40.42%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-107.8162.2173.9-56.1-62.1000109.8E56 K59 Y61 W91 V127 T131 G132 L134 F166 I174E56-Y129 HydrophobicContact CB-CD1 3.97Å; E56-Y129 HydrophobicContact CB-CE1 3.7Å; E56-Y129 WeakPolarHBondContact O-CD1 3.35Å; E56-Y129 WeakPolarHBondContact OE2-CE1 3.41Å; E56-Y129 PolarHBondContact OE2-OH 3.24Å; E56-Y129 VanDerWaalsContact OE2-OH 3.05Å; K59-Y129 HydrophobicContact CB-CD1 4.02Å; K59-Y129 HydrophobicContact CG-CD1 4.36Å; Y61-Y129 HydrophobicContact CD2-CD1 4.33Å; Y61-Y129 HydrophobicContact CD2-CD2 4.06Å; Y61-Y129 HydrophobicContact CD2-CE2 4.35Å; Y61-Y129 HydrophobicContact CD2-CG 4.02Å; Y61-Y129 AromaticContact CE2-CD1 3.31Å; Y61-Y129 HydrophobicContact CE2-CD1 3.31Å; Y61-Y129 AromaticContact CE2-CD2 3.61Å; Y61-Y129 HydrophobicContact CE2-CD2 3.61Å; Y61-Y129 AromaticContact CE2-CE1 3.38Å; Y61-Y129 HydrophobicContact CE2-CE1 3.38Å; Y61-Y129 AromaticContact CE2-CE2 3.67Å; Y61-Y129 HydrophobicContact CE2-CE2 3.67Å; Y61-Y129 AromaticContact CE2-CG 3.4Å; Y61-Y129 HydrophobicContact CE2-CG 3.4Å; Y61-Y129 AromaticContact CE2-CZ 3.57Å; Y61-Y129 AromaticContact CZ-CD1 3.89Å; Y61-Y129 AromaticContact CZ-CE1 3.71Å; Y61-Y129 WeakPolarHBondContact OH-CE1 3.41Å; W91-Y129 AromaticContact NE1-CZ 3.84Å; W91-Y129 PolarHBondContact NE1-OH 2.81Å; V127-Y129 HydrophobicContact CB-CE2 4.21Å; V127-Y129 HydrophobicContact CG1-CD1 4.03Å; V127-Y129 HydrophobicContact CG1-CD2 4.37Å; V127-Y129 HydrophobicContact CG1-CE1 3.42Å; V127-Y129 VanDerWaalsContact CG1-CE1 3.42Å; V127-Y129 HydrophobicContact CG1-CE2 3.81Å; V127-Y129 HydrophobicContact CG1-CG 4.49Å; V127-Y129 WeakPolarHBondContact CG1-OH 3.49Å; Y129-T131 PolarHBondContact O-N 2.91Å; Y129-T131 VanDerWaalsContact O-N 3.1Å; Y129-G132 CarbonylContact C-O 3.25Å; Y129-G132 WeakPolarHBondContact CA-O 3.37Å; Y129-G132 WeakPolarHBondContact CB-O 3.43Å; Y129-G132 PolarHBondContact N-O 3.44Å; Y129-G132 PolarHBondContact O-N 2.88Å; Y129-L134 HydrophobicContact CE2-CD2 3.73Å; Y129-L134 HydrophobicContact CE2-CG 4.5Å; Y129-F166 AromaticContact CD2-CZ 3.98Å; Y129-F166 HydrophobicContact CD2-CZ 3.98Å; Y129-F166 HydrophobicContact CE2-CZ 4.11Å; Y129-I174 HydrophobicContact CE2-CD1 4.44Å
130G65Low88.7Confident12 Ų1236.5 Ų36.512%0.12423%0.225CC..THydrogen-bonded Turntrans-60.5-21.3177.300000114S46 Y57 K59S46-G130 VanDerWaalsContact O-O 3.12Å; Y57-G130 WeakPolarHBondContact O-CA 3.29Å; Y57-G130 PolarHBondContact O-N 2.85Å; Y57-G130 VanDerWaalsContact O-N 3.11Å; K59-G130 CarbonylContact O-C 3.58Å; K59-G130 WeakPolarHBondContact O-CA 3.28Å; K59-G130 PolarHBondContact O-N 2.75Å
131T64.3Low88.8Confident19 Ų1932.1 Ų32.112%0.11720%0.196CC..THydrogen-bonded Turntrans-112.5-1.5178.352.80000116K59 N60 L62 Y129 V165K59-T131 PolarHBondContact O-N 2.71Å; N60-T131 HydrophobicContact CB-CG2 3.8Å; N60-T131 VanDerWaalsContact CG-CG2 3.48Å; N60-T131 WeakPolarHBondContact OD1-CG2 3.49Å; L62-T131 HydrophobicContact CD1-CG2 4.01Å; Y129-T131 PolarHBondContact O-N 2.91Å; Y129-T131 VanDerWaalsContact O-N 3.1Å; T131-V165 WeakPolarHBondContact O-CG2 3.21Å
132G71.3Confident88.8Confident23 Ų2329.9 Ų29.924%0.23719%0.186CC..EExtended strand (participates in β ladder)trans175.9-174.8-177.500000112.3Y129Y129-G132 CarbonylContact C-O 3.25Å; Y129-G132 WeakPolarHBondContact CA-O 3.37Å; Y129-G132 WeakPolarHBondContact CB-O 3.43Å; Y129-G132 PolarHBondContact N-O 3.44Å; Y129-G132 PolarHBondContact O-N 2.88Å
133S81.6Confident88.9Confident34 Ų3427.6 Ų27.624%0.23816%0.162CC..EExtended strand (participates in β ladder)trans-141.3165.1173.756.90000109.3V127 P162V127-S133 CarbonylContact O-C 3.59Å; V127-S133 WeakPolarHBondContact O-CA 3.41Å; V127-S133 VanDerWaalsContact O-CB 3.26Å; V127-S133 WeakPolarHBondContact O-CB 3.26Å; S133-P162 VanDerWaalsContact O-CD 3.25Å; S133-P162 WeakPolarHBondContact O-CD 3.46Å; S133-P162 WeakPolarHBondContact O-CG 3.47Å
134L89.8Confident88.9Confident1 Ų127.5 Ų27.51%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-139.5152.7166.965.394.8000109.1W91 F125 S126 V127 Y129 A158 Q160 Q161 F166W91-L134 HydrophobicContact CD2-CD1 4.44Å; W91-L134 HydrophobicContact CD2-CD2 3.49Å; W91-L134 VanDerWaalsContact CD2-CD2 3.49Å; W91-L134 HydrophobicContact CE3-CD2 3.97Å; W91-L134 HydrophobicContact CG-CD1 4.34Å; W91-L134 HydrophobicContact CG-CD2 3.99Å; W91-L134 HydrophobicContact CH2-CD2 3.95Å; W91-L134 HydrophobicContact CZ2-CD2 3.42Å; W91-L134 VanDerWaalsContact CZ2-CD2 3.42Å; W91-L134 HydrophobicContact CZ3-CD2 4.2Å; F125-L134 HydrophobicContact CD1-CD1 4.24Å; F125-L134 HydrophobicContact CE1-CD1 3.89Å; S126-L134 WeakPolarHBondContact CA-O 3.36Å; S126-L134 PolarHBondContact OG-O 3.37Å; V127-L134 HydrophobicContact CB-CD1 4.44Å; V127-L134 HydrophobicContact CB-CG 4.22Å; V127-L134 HydrophobicContact CG2-CD1 4.34Å; V127-L134 PolarHBondContact N-O 2.78Å; V127-L134 PolarHBondContact O-N 2.87Å; Y129-L134 HydrophobicContact CE2-CD2 3.73Å; Y129-L134 HydrophobicContact CE2-CG 4.5Å; L134-A158 HydrophobicContact CD1-CB 4.15Å; L134-Q160 CarbonylContact C-O 3.48Å; L134-Q160 VanDerWaalsContact CA-O 3.25Å; L134-Q160 WeakPolarHBondContact CA-O 3.23Å; L134-Q160 WeakPolarHBondContact CB-O 3.48Å; L134-Q161 HydrophobicContact CB-CG 4.29Å; L134-F166 HydrophobicContact CD2-CZ 4.21Å
135S93.6Very high88.9Confident25 Ų2520.3 Ų20.318%0.17512%0.123CC..EExtended strand (participates in β ladder)trans-134.2159.4171.961.20000111.2F125 T159 Q160F125-S135 CarbonylContact O-C 3.54Å; F125-S135 WeakPolarHBondContact O-CA 3.49Å; S135-T159 PolarHBondContact O-N 2.89Å; S135-T159 PolarHBondContact O-OG1 3.39Å; S135-Q160 PolarHBondContact N-O 2.83Å; S135-Q160 PolarHBondContact O-N 2.79Å; S135-Q160 VanDerWaalsContact O-N 3.07Å
136G95.9Very high88.8Confident8 Ų822.4 Ų22.48%0.08215%0.145CC..EExtended strand (participates in β ladder)trans178.2-151.5-169.400000111.7F125 E157F125-G136 PolarHBondContact N-O 3.44Å; F125-G136 PolarHBondContact O-N 2.89Å; G136-E157 WeakPolarHBondContact CA-O 3.34Å
137F97.7Very high88.8Confident45 Ų4523.6 Ų23.620%0.19715%0.153CC..EExtended strand (participates in β ladder)trans-142.6160.1175.458.6-90.6000110.8Y96 T123 S139 E157 T159Y96-F137 HydrophobicContact CD2-CE1 4.48Å; Y96-F137 AromaticContact CD2-CZ 3.93Å; Y96-F137 HydrophobicContact CD2-CZ 3.93Å; T123-F137 CarbonylContact O-C 3.44Å; T123-F137 WeakPolarHBondContact O-CA 3.05Å; T123-F137 WeakPolarHBondContact O-CB 3.47Å; F137-S139 WeakPolarHBondContact CE2-OG 3.01Å; F137-E157 HydrophobicContact CD1-CB 4.48Å; F137-E157 HydrophobicContact CD2-CB 4.15Å; F137-E157 HydrophobicContact CE1-CB 4.13Å; F137-E157 HydrophobicContact CE2-CB 3.78Å; F137-E157 VanDerWaalsContact CE2-CD 3.48Å; F137-E157 HydrophobicContact CE2-CG 4.09Å; F137-E157 WeakPolarHBondContact CE2-OE1 3.21Å; F137-E157 HydrophobicContact CG-CB 4.48Å; F137-E157 HydrophobicContact CZ-CB 3.76Å; F137-E157 HydrophobicContact CZ-CG 4.25Å; F137-E157 WeakPolarHBondContact CZ-OE2 3.5Å; F137-E157 PolarHBondContact N-O 3.19Å; F137-E157 VanDerWaalsContact N-O 3.16Å; F137-E157 PolarHBondContact O-N 3.27Å; F137-T159 HydrophobicContact CD1-CG2 3.94Å; F137-T159 HydrophobicContact CE1-CG2 3.63Å
138L98.5Very high89.3Confident8 Ų823.8 Ų23.84%0.04215%0.154CC..EExtended strand (participates in β ladder)trans-80142.5177.6-62.7-176.9000111.7N121 G122 T123 F125 T154 F155 D185 V187N121-L138 HydrophobicContact CB-CB 4.23Å; N121-L138 WeakPolarHBondContact CB-O 3.4Å; G122-L138 PolarHBondContact N-O 3.03Å; T123-L138 PolarHBondContact O-N 3.04Å; F125-L138 HydrophobicContact CB-CD2 3.84Å; F125-L138 HydrophobicContact CB-CG 4.14Å; F125-L138 HydrophobicContact CD2-CD2 3.65Å; F125-L138 HydrophobicContact CE2-CD2 4.34Å; F125-L138 HydrophobicContact CG-CD2 3.81Å; L138-T154 HydrophobicContact CB-CG2 4.09Å; L138-T154 HydrophobicContact CD1-CG2 4.2Å; L138-T154 HydrophobicContact CD2-CG2 4.33Å; L138-T154 HydrophobicContact CG-CG2 4.45Å; L138-F155 WeakPolarHBondContact CA-O 3.5Å; L138-D185 HydrophobicContact CD1-CB 4.36Å; L138-V187 HydrophobicContact CD1-CG2 3.76Å; L138-V187 HydrophobicContact CD2-CG2 4.03Å
139S98.7Very high90.1Very high0 Ų022.5 Ų22.50%015%0.154CC..EExtended strand (participates in β ladder)trans-138.7152.6172.7-80.30000109.8F137 T154 F155 E157F137-S139 WeakPolarHBondContact CE2-OG 3.01Å; S139-T154 CarbonylContact O-C 3.55Å; S139-T154 VanDerWaalsContact O-CA 3.28Å; S139-T154 WeakPolarHBondContact O-CA 3.5Å; S139-F155 PolarHBondContact N-O 3.27Å; S139-F155 WeakPolarHBondContact O-CD1 3.4Å; S139-F155 PolarHBondContact O-N 2.95Å; S139-E157 VanDerWaalsContact CB-OE1 3.24Å; S139-E157 WeakPolarHBondContact CB-OE1 3.32Å; S139-E157 PolarHBondContact OG-OE1 3.16Å
140T98.8Very high91.3Very high17 Ų1722.2 Ų22.210%0.10415%0.152CC..EExtended strand (participates in β ladder)trans-119.8132.7178.4-58.40000109.7I119 Q153 T154I119-T140 PolarHBondContact N-O 2.8Å; I119-T140 PolarHBondContact O-N 3.23Å; I119-T140 VanDerWaalsContact O-N 3.11Å; T140-Q153 WeakPolarHBondContact CA-O 3.28Å; T140-T154 PolarHBondContact OG1-OG1 2.87Å
141D98.8Very high92.9Very high2 Ų228.9 Ų28.91%0.01118%0.178CC..EExtended strand (participates in β ladder)trans-154.4176.8176.5-151.6-21.6000111.4I72 G73 Y110 S115 T117 Y118 G152 Q153 F155I72-D141 HydrophobicContact CG2-CB 3.91Å; G73-D141 VanDerWaalsContact CA-CG 3.44Å; G73-D141 WeakPolarHBondContact CA-OD1 3.27Å; G73-D141 WeakPolarHBondContact CA-OD2 3.44Å; Y110-D141 PolarHBondContact OH-OD2 3.13Å; S115-D141 WeakPolarHBondContact CB-OD2 3.34Å; S115-D141 VanDerWaalsContact OG-CG 3.27Å; S115-D141 PolarHBondContact OG-OD1 2.91Å; S115-D141 PolarHBondContact OG-OD2 3.39Å; T117-D141 WeakPolarHBondContact CB-OD1 3.46Å; T117-D141 PolarHBondContact OG1-OD1 3.11Å; Y118-D141 PolarHBondContact N-OD1 3.46Å; D141-G152 PolarHBondContact O-N 2.92Å; D141-Q153 PolarHBondContact N-O 3.05Å; D141-Q153 PolarHBondContact O-N 2.92Å; D141-F155 HydrophobicContact CB-CE1 3.92Å
142S98.4Very high94.5Very high26 Ų2629.8 Ų29.818%0.18219%0.191CC..EExtended strand (participates in β ladder)trans-75.5131.7167.9-59.30000109.9I72 G73 V150I72-S142 WeakPolarHBondContact CA-O 3.32Å; G73-S142 PolarHBondContact N-O 2.95Å; S142-V150 WeakPolarHBondContact CA-O 3.27Å
143L98.6Very high95.8Very high3 Ų328.8 Ų28.82%0.01618%0.18CC..EExtended strand (participates in β ladder)trans-111.9142173.4174.6147.7000109.3I70 T71 L90 L145 S149 V150 Q153 V190I70-L143 HydrophobicContact CD1-CD1 4.14Å; T71-L143 CarbonylContact O-C 3.6Å; T71-L143 WeakPolarHBondContact O-CA 3.41Å; L90-L143 HydrophobicContact CD2-CD1 3.27Å; L143-L145 HydrophobicContact CD2-CB 4.28Å; L143-S149 CarbonylContact O-C 3.46Å; L143-S149 WeakPolarHBondContact O-CA 3.42Å; L143-V150 HydrophobicContact CB-CB 4.37Å; L143-V150 HydrophobicContact CD2-CB 4.32Å; L143-V150 HydrophobicContact CD2-CG2 4.06Å; L143-V150 PolarHBondContact N-O 2.82Å; L143-V150 PolarHBondContact O-N 3.45Å; L143-Q153 HydrophobicContact CB-CB 4.08Å; L143-Q153 HydrophobicContact CB-CG 4.44Å; L143-Q153 HydrophobicContact CD1-CG 4.43Å; L143-V190 HydrophobicContact CD1-CG1 4.46Å; L143-V190 HydrophobicContact CD1-CG2 4.21Å; L143-V190 HydrophobicContact CD2-CG1 3.91Å
144Q97.4Very high96.6Very high74 Ų7428.6 Ų28.635%0.34618%0.178SC..EExtended strand (participates in β ladder)trans-128.3135.9172.1172.416756.700110.8T71 G146 L148T71-Q144 PolarHBondContact N-O 2.83Å; T71-Q144 PolarHBondContact O-N 3.43Å; T71-Q144 WeakPolarHBondContact OG1-CB 3.31Å; Q144-G146 VanDerWaalsContact CG-O 3.27Å; Q144-G146 WeakPolarHBondContact CG-O 3.33Å; Q144-L148 CarbonylContact C-O 3.58Å; Q144-L148 VanDerWaalsContact CA-O 3.27Å; Q144-L148 WeakPolarHBondContact CA-O 3.28Å
145L95Very high97Very high2 Ų228.6 Ų28.61%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-135.4105.3178.9178.758.1000108.3I18 D69 I70 F83 L143 S147 L148 M194 I223I18-L145 HydrophobicContact CD1-CD1 3.48Å; I18-L145 VanDerWaalsContact CD1-CD1 3.48Å; I18-L145 HydrophobicContact CD1-CG 3.75Å; I18-L145 HydrophobicContact CG1-CD1 3.71Å; I18-L145 HydrophobicContact CG1-CG 3.96Å; I18-L145 HydrophobicContact CG2-CD1 4.13Å; D69-L145 WeakPolarHBondContact O-CD1 3.16Å; I70-L145 HydrophobicContact CG2-CB 4.3Å; I70-L145 HydrophobicContact CG2-CD1 3.64Å; I70-L145 HydrophobicContact CG2-CG 4.38Å; F83-L145 HydrophobicContact CE1-CD1 3.89Å; F83-L145 HydrophobicContact CE1-CD2 3.72Å; F83-L145 HydrophobicContact CZ-CD1 3.63Å; F83-L145 HydrophobicContact CZ-CD2 4.3Å; L143-L145 HydrophobicContact CD2-CB 4.28Å; L145-S147 PolarHBondContact O-N 3.32Å; L145-L148 PolarHBondContact N-O 2.89Å; L145-L148 WeakPolarHBondContact O-CB 3.47Å; L145-L148 PolarHBondContact O-N 2.97Å; L145-L148 VanDerWaalsContact O-N 3.13Å; L145-M194 HydrophobicContact CB-CE 4.21Å; L145-M194 HydrophobicContact CD2-CE 4.13Å; L145-I223 HydrophobicContact CD2-CD1 3.25Å; L145-I223 HydrophobicContact CG-CD1 4.12Å
146G91.3Very high97.2Very high45 Ų4527.5 Ų27.546%0.46417%0.17SC..THydrogen-bonded Turntrans58.7-128.6-16500000110.7Q144Q144-G146 VanDerWaalsContact CG-O 3.27Å; Q144-G146 WeakPolarHBondContact CG-O 3.33Å
147S92.9Very high97.3Very high67 Ų6727.1 Ų27.147%0.46917%0.166SC..THydrogen-bonded Turntrans-83.4-13.5174.952.80000114E14 V16 L145 S149E14-S147 WeakPolarHBondContact OE2-CB 3.38Å; E14-S147 PolarHBondContact OE2-OG 3.31Å; V16-S147 WeakPolarHBondContact CG2-OG 3.15Å; L145-S147 PolarHBondContact O-N 3.32Å; S147-S149 PolarHBondContact O-N 3.34Å
148L95.2Very high97.2Very high5 Ų525 Ų253%0.02616%0.157CC..EExtended strand (participates in β ladder)trans-73.9126.6179.8-61.1175.2000110.7E14 V16 Q144 L145 M194 I199 V200 I223E14-L148 HydrophobicContact CB-CD2 4.11Å; V16-L148 HydrophobicContact CB-CD1 4.09Å; V16-L148 HydrophobicContact CB-CG 4.11Å; V16-L148 HydrophobicContact CG2-CD1 4.12Å; V16-L148 HydrophobicContact CG2-CD2 4.14Å; V16-L148 HydrophobicContact CG2-CG 3.61Å; Q144-L148 CarbonylContact C-O 3.58Å; Q144-L148 VanDerWaalsContact CA-O 3.27Å; Q144-L148 WeakPolarHBondContact CA-O 3.28Å; L145-L148 PolarHBondContact N-O 2.89Å; L145-L148 WeakPolarHBondContact O-CB 3.47Å; L145-L148 PolarHBondContact O-N 2.97Å; L145-L148 VanDerWaalsContact O-N 3.13Å; L148-M194 HydrophobicContact CB-CE 4.32Å; L148-M194 HydrophobicContact CD1-CE 4.23Å; L148-M194 HydrophobicContact CD1-SD 4.18Å; L148-I199 HydrophobicContact CB-CD1 4.49Å; L148-I199 HydrophobicContact CD2-CB 4.48Å; L148-I199 WeakPolarHBondContact CD2-O 3.37Å; L148-V200 HydrophobicContact CD1-CG1 3.84Å; L148-V200 HydrophobicContact CD2-CG1 4.48Å; L148-I223 HydrophobicContact CD1-CB 4.07Å; L148-I223 HydrophobicContact CD1-CG2 3.62Å
149S96.4Very high97.1Very high51 Ų5125.8 Ų25.836%0.35716%0.162SC..EExtended strand (participates in β ladder)trans-115.4110.9175.5-173.80000110.4L143 S147 I199L143-S149 CarbonylContact O-C 3.46Å; L143-S149 WeakPolarHBondContact O-CA 3.42Å; S147-S149 PolarHBondContact O-N 3.34Å; S149-I199 WeakPolarHBondContact O-CD1 3.35Å
150V98.1Very high96.7Very high0 Ų031.1 Ų31.10%019%0.187CC..EExtended strand (participates in β ladder)trans-89.4118.7174.5-174.90000108.4S142 L143 Q153 V190 N193 M194 I199S142-V150 WeakPolarHBondContact CA-O 3.27Å; L143-V150 HydrophobicContact CB-CB 4.37Å; L143-V150 HydrophobicContact CD2-CB 4.32Å; L143-V150 HydrophobicContact CD2-CG2 4.06Å; L143-V150 PolarHBondContact N-O 2.82Å; L143-V150 PolarHBondContact O-N 3.45Å; V150-Q153 HydrophobicContact CG1-CB 4.15Å; V150-V190 HydrophobicContact CG2-CG1 4.18Å; V150-N193 HydrophobicContact CG1-CB 3.68Å; V150-M194 HydrophobicContact CG2-CE 3.6Å; V150-M194 HydrophobicContact CG2-CG 3.46Å; V150-M194 VanDerWaalsContact CG2-CG 3.46Å; V150-M194 HydrophobicContact CG2-SD 4.41Å; V150-I199 HydrophobicContact CG2-CD1 3.97Å
151K97.7Very high96.3Very high151 Ų15130.5 Ų30.566%0.65718%0.183SC*.EExtended strand (participates in β ladder)trans-86.4139.6176.2-63.5-178.4-178.3177.40110.3Q153 Q197K151-Q153 PolarHBondContact O-N 3.41Å; K151-Q197 PolarHBondContact O-NE2 2.99Å
152G98Very high95.3Very high39 Ų3933.7 Ų33.740%0.40220%0.204SC..EExtended strand (participates in β ladder)trans6438.6172.400000114.1D141 T154D141-G152 PolarHBondContact O-N 2.92Å; G152-T154 PolarHBondContact O-N 3.41Å
153Q98.8Very high94.1Very high1 Ų135 Ų351%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-74.4122173.4-18059.750.800109.9L90 T140 D141 L143 V150 K151 T188 V190 N193L90-Q153 HydrophobicContact CD2-CG 4.16Å; T140-Q153 WeakPolarHBondContact CA-O 3.28Å; D141-Q153 PolarHBondContact N-O 3.05Å; D141-Q153 PolarHBondContact O-N 2.92Å; L143-Q153 HydrophobicContact CB-CB 4.08Å; L143-Q153 HydrophobicContact CB-CG 4.44Å; L143-Q153 HydrophobicContact CD1-CG 4.43Å; V150-Q153 HydrophobicContact CG1-CB 4.15Å; K151-Q153 PolarHBondContact O-N 3.41Å; Q153-T188 PolarHBondContact NE2-O 2.92Å; Q153-V190 HydrophobicContact CG-CG2 4.04Å; Q153-N193 PolarHBondContact OE1-ND2 3.43Å
154T98.7Very high92.9Very high30 Ų3038.4 Ų38.418%0.18424%0.239CC..EExtended strand (participates in β ladder)trans-83.6135.6169-58.90000110.4L138 S139 T140 G152 V187L138-T154 HydrophobicContact CB-CG2 4.09Å; L138-T154 HydrophobicContact CD1-CG2 4.2Å; L138-T154 HydrophobicContact CD2-CG2 4.33Å; L138-T154 HydrophobicContact CG-CG2 4.45Å; S139-T154 CarbonylContact O-C 3.55Å; S139-T154 VanDerWaalsContact O-CA 3.28Å; S139-T154 WeakPolarHBondContact O-CA 3.5Å; T140-T154 PolarHBondContact OG1-OG1 2.87Å; G152-T154 PolarHBondContact O-N 3.41Å; T154-V187 HydrophobicContact CG2-CG1 4.08Å; T154-V187 HydrophobicContact CG2-CG2 4.26Å; T154-V187 WeakPolarHBondContact O-CG1 3.35Å
155F98.6Very high91.7Very high2 Ų235.4 Ų35.41%0.00923%0.226CC..EExtended strand (participates in β ladder)trans-147.7164.3-178.966.6-82.8000111.4I72 L90 V92 Y110 L138 S139 D141 E157I72-F155 HydrophobicContact CD1-CD2 4.36Å; I72-F155 HydrophobicContact CD1-CE2 4.26Å; I72-F155 HydrophobicContact CD1-CZ 4.41Å; I72-F155 HydrophobicContact CG2-CE1 3.71Å; I72-F155 HydrophobicContact CG2-CZ 3.71Å; L90-F155 HydrophobicContact CB-CB 3.98Å; L90-F155 HydrophobicContact CD2-CB 3.74Å; L90-F155 HydrophobicContact CD2-CG 4.35Å; L90-F155 HydrophobicContact CG-CB 3.66Å; L90-F155 CarbonylContact O-C 3.58Å; L90-F155 WeakPolarHBondContact O-CA 3.37Å; L90-F155 WeakPolarHBondContact O-CB 3.41Å; V92-F155 HydrophobicContact CG2-CD2 4.01Å; V92-F155 HydrophobicContact CG2-CE2 3.75Å; Y110-F155 HydrophobicContact CD1-CE2 4.02Å; Y110-F155 AromaticContact CD1-CZ 3.83Å; Y110-F155 HydrophobicContact CD1-CZ 3.83Å; Y110-F155 HydrophobicContact CD2-CZ 4.25Å; Y110-F155 HydrophobicContact CE1-CE2 4.28Å; Y110-F155 AromaticContact CE1-CZ 3.65Å; Y110-F155 HydrophobicContact CE1-CZ 3.65Å; Y110-F155 HydrophobicContact CE2-CZ 4.12Å; Y110-F155 HydrophobicContact CG-CE2 4.23Å; Y110-F155 HydrophobicContact CG-CZ 4.11Å; Y110-F155 AromaticContact CZ-CZ 3.81Å; L138-F155 WeakPolarHBondContact CA-O 3.5Å; S139-F155 PolarHBondContact N-O 3.27Å; S139-F155 WeakPolarHBondContact O-CD1 3.4Å; S139-F155 PolarHBondContact O-N 2.95Å; D141-F155 HydrophobicContact CB-CE1 3.92Å; F155-E157 HydrophobicContact CE2-CG 3.88Å; F155-E157 HydrophobicContact CZ-CG 4.47Å
156G98Very high90.9Very high1 Ų135.5 Ų35.51%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-84.3124.3175.200000112.7L90 W91 V92L90-G156 PolarHBondContact O-N 2.92Å; W91-G156 CarbonylContact C-O 3.59Å; W91-G156 WeakPolarHBondContact CA-O 3.36Å; W91-G156 WeakPolarHBondContact CB-O 3.46Å; V92-G156 PolarHBondContact N-O 2.85Å
157E98.1Very high90.4Very high0 Ų035.4 Ų35.40%022%0.216CC..EExtended strand (participates in β ladder)trans-86.5100.3163.6-83.5-162.8-120.500109.4S94 Y110 G136 F137 S139 F155 T159S94-E157 WeakPolarHBondContact CB-OE2 3.4Å; S94-E157 PolarHBondContact OG-OE2 2.71Å; Y110-E157 VanDerWaalsContact CD1-CD 3.41Å; Y110-E157 HydrophobicContact CD1-CG 3.75Å; Y110-E157 HydrophobicContact CE1-CG 4.23Å; Y110-E157 WeakPolarHBondContact CE1-OE1 3.41Å; G136-E157 WeakPolarHBondContact CA-O 3.34Å; F137-E157 HydrophobicContact CD1-CB 4.48Å; F137-E157 HydrophobicContact CD2-CB 4.15Å; F137-E157 HydrophobicContact CE1-CB 4.13Å; F137-E157 HydrophobicContact CE2-CB 3.78Å; F137-E157 VanDerWaalsContact CE2-CD 3.48Å; F137-E157 HydrophobicContact CE2-CG 4.09Å; F137-E157 WeakPolarHBondContact CE2-OE1 3.21Å; F137-E157 HydrophobicContact CG-CB 4.48Å; F137-E157 HydrophobicContact CZ-CB 3.76Å; F137-E157 HydrophobicContact CZ-CG 4.25Å; F137-E157 WeakPolarHBondContact CZ-OE2 3.5Å; F137-E157 PolarHBondContact N-O 3.19Å; F137-E157 VanDerWaalsContact N-O 3.16Å; F137-E157 PolarHBondContact O-N 3.27Å; S139-E157 VanDerWaalsContact CB-OE1 3.24Å; S139-E157 WeakPolarHBondContact CB-OE1 3.32Å; S139-E157 PolarHBondContact OG-OE1 3.16Å; F155-E157 HydrophobicContact CE2-CG 3.88Å; F155-E157 HydrophobicContact CZ-CG 4.47Å; E157-T159 PolarHBondContact O-N 3.03Å
158A95.9Very high89.5Confident0 Ų035 Ų350%021%0.207CC..EExtended strand (participates in β ladder)trans-73.2120.7-178.200000110.8W91 V92 S94 L134 Q161W91-A158 HydrophobicContact CE3-CB 4.12Å; V92-A158 PolarHBondContact O-N 3.29Å; S94-A158 WeakPolarHBondContact CB-O 3.2Å; S94-A158 PolarHBondContact N-O 2.99Å; L134-A158 HydrophobicContact CD1-CB 4.15Å; A158-Q161 HydrophobicContact CB-CG 4.01Å
159T95.3Very high88.7Confident25 Ų2535.2 Ų35.215%0.15321%0.211CC..EExtended strand (participates in β ladder)trans-106.5-18.7177.759.90000113C97 S98 S135 F137 E157C97-T159 WeakPolarHBondContact CA-O 3.37Å; C97-T159 WeakPolarHBondContact CB-O 3.1Å; S98-T159 PolarHBondContact N-O 2.83Å; S135-T159 PolarHBondContact O-N 2.89Å; S135-T159 PolarHBondContact O-OG1 3.39Å; F137-T159 HydrophobicContact CD1-CG2 3.94Å; F137-T159 HydrophobicContact CE1-CG2 3.63Å; E157-T159 PolarHBondContact O-N 3.03Å
160Q91.7Very high88Confident112 Ų11240 Ų4052%0.52323%0.225SC..EExtended strand (participates in β ladder)trans-138.7124.2175.9-63176.463.400110.1D101 L134 S135D101-Q160 VanDerWaalsContact OD2-CA 3.26Å; D101-Q160 WeakPolarHBondContact OD2-CA 3.37Å; L134-Q160 CarbonylContact C-O 3.48Å; L134-Q160 VanDerWaalsContact CA-O 3.25Å; L134-Q160 WeakPolarHBondContact CA-O 3.23Å; L134-Q160 WeakPolarHBondContact CB-O 3.48Å; S135-Q160 PolarHBondContact N-O 2.83Å; S135-Q160 PolarHBondContact O-N 2.79Å; S135-Q160 VanDerWaalsContact O-N 3.07Å
161Q88.7Confident87.5Confident5 Ų540.3 Ų40.32%0.02323%0.226CC..  trans-129.467.5-178.9-61.6176.5-84.500109.6W91 D101 A103 L134 A158 F166W91-Q161 VanDerWaalsContact CZ3-NE2 3.25Å; D101-Q161 PolarHBondContact OD2-N 2.86Å; A103-Q161 HydrophobicContact CB-CB 4.03Å; L134-Q161 HydrophobicContact CB-CG 4.29Å; A158-Q161 HydrophobicContact CB-CG 4.01Å; Q161-F166 HydrophobicContact CB-CB 4.3Å; Q161-F166 HydrophobicContact CB-CD2 3.88Å; Q161-F166 HydrophobicContact CB-CG 4.33Å
162P79.7Confident87.2Confident69 Ų6933.6 Ų33.645%0.44820%0.197SC..  trans-60.6145-176.626-36.3000112.7S133S133-P162 VanDerWaalsContact O-CD 3.25Å; S133-P162 WeakPolarHBondContact O-CD 3.46Å; S133-P162 WeakPolarHBondContact O-CG 3.47Å
163G72.2Confident87Confident52 Ų5231.7 Ų31.754%0.53618%0.178SC..SBendtrans100.6170.5171.600000114.6V165G163-V165 VanDerWaalsContact C-N 3.34Å
164L73.4Confident86.7Confident75 Ų7531.7 Ų31.739%0.39318%0.178SC..Hα-helixtrans-80.9-16.6-173.5-162.967.8000112.9I39 V43 F166 V167 M168I39-L164 HydrophobicContact CG2-CD2 4.34Å; V43-L164 HydrophobicContact CG2-CD2 4.41Å; L164-F166 PolarHBondContact O-N 3.08Å; L164-V167 HydrophobicContact CD1-CB 4.29Å; L164-V167 HydrophobicContact CD1-CG1 4.34Å; L164-V167 PolarHBondContact O-N 2.94Å; L164-M168 HydrophobicContact CD1-CG 4.37Å; L164-M168 HydrophobicContact CD2-CG 4.36Å; L164-M168 HydrophobicContact CG-CG 3.82Å; L164-M168 WeakPolarHBondContact O-CB 3.12Å; L164-M168 VanDerWaalsContact O-CG 3.26Å; L164-M168 WeakPolarHBondContact O-CG 3.35Å; L164-M168 PolarHBondContact O-N 3.27Å
165V72.6Confident86.6Confident11 Ų1130.4 Ų30.47%0.06717%0.17CC..Hα-helixtrans-57.9-53.2-175.4-178.70000110.7L62 T131 G163 M168 A169L62-V165 HydrophobicContact CD1-CG2 4.44Å; L62-V165 HydrophobicContact CD2-CB 4.17Å; L62-V165 HydrophobicContact CD2-CG1 4.11Å; L62-V165 HydrophobicContact CD2-CG2 3.82Å; L62-V165 HydrophobicContact CG-CG1 4.19Å; L62-V165 HydrophobicContact CG-CG2 3.97Å; T131-V165 WeakPolarHBondContact O-CG2 3.21Å; G163-V165 VanDerWaalsContact C-N 3.34Å; V165-M168 PolarHBondContact O-N 2.94Å; V165-A169 PolarHBondContact O-N 2.91Å; V165-A169 VanDerWaalsContact O-N 3.15Å
166F77.3Confident86.5Confident4 Ų430.3 Ų30.32%0.01817%0.17CC..Hα-helixtrans-76.7-22-178-56-60.3000112.9W91 A103 H107 Y129 L134 Q161 L164W91-F166 AromaticContact CH2-CD1 3.93Å; W91-F166 HydrophobicContact CH2-CD1 3.93Å; W91-F166 AromaticContact CH2-CE1 3.76Å; W91-F166 HydrophobicContact CH2-CE1 3.76Å; W91-F166 HydrophobicContact CH2-CZ 4.47Å; W91-F166 HydrophobicContact CZ2-CD1 4.37Å; W91-F166 AromaticContact CZ2-CE1 3.74Å; W91-F166 HydrophobicContact CZ2-CE1 3.74Å; W91-F166 HydrophobicContact CZ2-CZ 4.29Å; A103-F166 HydrophobicContact CB-CB 3.65Å; H107-F166 PolarHBondContact CE1-O 2.98Å; Y129-F166 AromaticContact CD2-CZ 3.98Å; Y129-F166 HydrophobicContact CD2-CZ 3.98Å; Y129-F166 HydrophobicContact CE2-CZ 4.11Å; L134-F166 HydrophobicContact CD2-CZ 4.21Å; Q161-F166 HydrophobicContact CB-CB 4.3Å; Q161-F166 HydrophobicContact CB-CD2 3.88Å; Q161-F166 HydrophobicContact CB-CG 4.33Å; L164-F166 PolarHBondContact O-N 3.08Å
167V80.4Confident86.5Confident43 Ų4330.4 Ų30.426%0.26117%0.17SC..Hα-helixtrans-69.4-37.2172.1176.70000111.3I102 A103 L106 L164I102-V167 HydrophobicContact CB-CG2 4.28Å; I102-V167 HydrophobicContact CG2-CG1 4.14Å; I102-V167 HydrophobicContact CG2-CG2 4.19Å; A103-V167 HydrophobicContact CB-CG2 3.83Å; L106-V167 HydrophobicContact CD1-CG1 3.88Å; L164-V167 HydrophobicContact CD1-CB 4.29Å; L164-V167 HydrophobicContact CD1-CG1 4.34Å; L164-V167 PolarHBondContact O-N 2.94Å
168M74.8Confident86.4Confident58 Ų5830.5 Ų30.529%0.28617%0.171SC..Hα-helixtrans-86.7-12.3-178.5-65.6-100.1-72.400113.2A26 L30 L164 V165A26-M168 HydrophobicContact CB-CB 3.87Å; A26-M168 HydrophobicContact CB-CE 4.11Å; L30-M168 HydrophobicContact CD1-CE 4.1Å; L30-M168 HydrophobicContact CD2-CE 3.53Å; L30-M168 HydrophobicContact CG-CE 3.48Å; L30-M168 VanDerWaalsContact CG-CE 3.48Å; L164-M168 HydrophobicContact CD1-CG 4.37Å; L164-M168 HydrophobicContact CD2-CG 4.36Å; L164-M168 HydrophobicContact CG-CG 3.82Å; L164-M168 WeakPolarHBondContact O-CB 3.12Å; L164-M168 VanDerWaalsContact O-CG 3.26Å; L164-M168 WeakPolarHBondContact O-CG 3.35Å; L164-M168 PolarHBondContact O-N 3.27Å; V165-M168 PolarHBondContact O-N 2.94Å
169A79.1Confident86.5Confident11 Ų1130.8 Ų30.89%0.09117%0.172CC..  trans-62.3151.2178.400000111.2H107 V165 F171H107-A169 PolarHBondContact NE2-O 2.89Å; V165-A169 PolarHBondContact O-N 2.91Å; V165-A169 VanDerWaalsContact O-N 3.15Å; A169-F171 HydrophobicContact CB-CD1 3.97Å; A169-F171 HydrophobicContact CB-CD2 4.32Å; A169-F171 HydrophobicContact CB-CE1 3.68Å; A169-F171 HydrophobicContact CB-CE2 4.07Å; A169-F171 HydrophobicContact CB-CG 4.28Å; A169-F171 HydrophobicContact CB-CZ 3.73Å
170K81.3Confident86.6Confident152 Ų15232.1 Ų32.166%0.66118%0.181SC*.SBendtrans-106.75.1172-64.7-62-176-172.30112.3L23L23-K170 HydrophobicContact CB-CB 4.47Å
171F87Confident86.8Confident5 Ų530.7 Ų30.72%0.02218%0.183CC..SBendtrans-116.9149178.758-97.1000108.2L23 A64 S80 V82 H107 A169 G173 I174L23-F171 HydrophobicContact CD1-CD1 4.46Å; A64-F171 HydrophobicContact CB-CE1 3.83Å; A64-F171 HydrophobicContact CB-CZ 4.45Å; S80-F171 CarbonylContact O-C 3.5Å; V82-F171 HydrophobicContact CG2-CB 4.23Å; V82-F171 HydrophobicContact CG2-CD1 3.49Å; V82-F171 VanDerWaalsContact CG2-CD1 3.49Å; V82-F171 HydrophobicContact CG2-CD2 3.89Å; V82-F171 HydrophobicContact CG2-CE1 3.7Å; V82-F171 HydrophobicContact CG2-CE2 4.08Å; V82-F171 HydrophobicContact CG2-CG 3.6Å; V82-F171 HydrophobicContact CG2-CZ 3.99Å; H107-F171 PolarHBondContact CD2-O 3.19Å; H107-F171 PolarHBondContact NE2-O 3.38Å; A169-F171 HydrophobicContact CB-CD1 3.97Å; A169-F171 HydrophobicContact CB-CD2 4.32Å; A169-F171 HydrophobicContact CB-CE1 3.68Å; A169-F171 HydrophobicContact CB-CE2 4.07Å; A169-F171 HydrophobicContact CB-CG 4.28Å; A169-F171 HydrophobicContact CB-CZ 3.73Å; F171-G173 VanDerWaalsContact CD2-O 3.23Å; F171-G173 WeakPolarHBondContact CD2-O 3.37Å; F171-I174 HydrophobicContact CE2-CG1 4.2Å
172D92.3Very high86.9Confident10 Ų1031 Ų315%0.05319%0.185CC..SBendtrans-79.5-38.9-179.7-53.8-67.4000111.7F79 S80 W91 P93 H107 R108F79-D172 HydrophobicContact CB-CB 4.35Å; F79-D172 HydrophobicContact CD1-CB 4.04Å; S80-D172 PolarHBondContact N-OD2 2.94Å; S80-D172 PolarHBondContact O-N 3.23Å; W91-D172 WeakPolarHBondContact CZ3-O 3.39Å; P93-D172 WeakPolarHBondContact CD-O 3.5Å; P93-D172 HydrophobicContact CG-CB 4.47Å; P93-D172 VanDerWaalsContact CG-O 3.29Å; P93-D172 WeakPolarHBondContact CG-O 3.47Å; H107-D172 HydrophobicContact CB-CB 4.39Å; H107-D172 WeakPolarHBondContact CB-OD1 3.34Å; H107-D172 IonicContact CD2-OD1 3.12Å; H107-D172 IonicContact CG-OD1 2.8Å; R108-D172 IonicContact CZ-OD2 3.73Å; R108-D172 PolarHBondContact N-OD1 3.02Å; R108-D172 IonicContact NE-OD1 2.82Å; R108-D172 IonicContact NE-OD2 3.85Å; R108-D172 PolarHBondContact NE-OD2 2.86Å; R108-D172 IonicContact NH2-OD2 3.51Å; R108-D172 PolarHBondContact NH2-OD2 2.89Å
173G93.8Very high87.6Confident0 Ų028.1 Ų28.10%017%0.167CC..EExtended strand (participates in β ladder)trans-151.9-167.9-17200000114.8S80 V81 V82 W91 F171S80-G173 PolarHBondContact O-N 3.17Å; V81-G173 VanDerWaalsContact CA-O 3.25Å; V81-G173 WeakPolarHBondContact CA-O 3.05Å; V82-G173 PolarHBondContact N-O 2.79Å; V82-G173 VanDerWaalsContact N-O 3.11Å; W91-G173 WeakPolarHBondContact O-CA 3.06Å; F171-G173 VanDerWaalsContact CD2-O 3.23Å; F171-G173 WeakPolarHBondContact CD2-O 3.37Å
174I93.1Very high88.5Confident0 Ų026.3 Ų26.30%015%0.145CC..EExtended strand (participates in β ladder)trans-132.1138.2-178.1-60.4179.4000108.8Y61 D84 L90 W91 Y129 F171Y61-I174 HydrophobicContact CD1-CD1 3.88Å; Y61-I174 HydrophobicContact CD2-CD1 3.71Å; Y61-I174 HydrophobicContact CE1-CD1 3.52Å; Y61-I174 HydrophobicContact CE2-CD1 3.27Å; Y61-I174 HydrophobicContact CG-CD1 3.98Å; D84-I174 HydrophobicContact CB-CG2 3.83Å; L90-I174 VanDerWaalsContact CA-O 3.32Å; L90-I174 WeakPolarHBondContact CA-O 3.44Å; L90-I174 WeakPolarHBondContact CD1-O 3.18Å; W91-I174 HydrophobicContact CH2-CG1 4.36Å; W91-I174 HydrophobicContact CZ2-CB 4.11Å; W91-I174 HydrophobicContact CZ2-CD1 3.47Å; W91-I174 VanDerWaalsContact CZ2-CD1 3.47Å; W91-I174 HydrophobicContact CZ2-CG1 3.47Å; W91-I174 VanDerWaalsContact CZ2-CG1 3.47Å; W91-I174 PolarHBondContact N-O 2.87Å; W91-I174 PolarHBondContact O-N 2.94Å; Y129-I174 HydrophobicContact CE2-CD1 4.44Å; F171-I174 HydrophobicContact CE2-CG1 4.2Å
175L96.4Very high89.3Confident3 Ų327.1 Ų27.12%0.01615%0.15CC..EExtended strand (participates in β ladder)trans-115.6103.6170.7-170.6159.6000108.5I70 V81 V82 F83 D84 L90 M177 V190I70-L175 HydrophobicContact CG2-CD1 3.92Å; V81-L175 HydrophobicContact CB-CB 4.35Å; V81-L175 HydrophobicContact CG2-CB 3.97Å; V82-L175 PolarHBondContact O-N 3.07Å; F83-L175 HydrophobicContact CD1-CB 4.32Å; F83-L175 HydrophobicContact CD1-CD1 4.32Å; F83-L175 HydrophobicContact CD1-CD2 4.14Å; F83-L175 HydrophobicContact CD1-CG 4.5Å; F83-L175 HydrophobicContact CE1-CD1 4Å; D84-L175 PolarHBondContact N-O 3.09Å; L90-L175 HydrophobicContact CD1-CB 4.04Å; L90-L175 HydrophobicContact CD1-CD1 4.45Å; L90-L175 HydrophobicContact CD1-CG 4.24Å; L175-M177 HydrophobicContact CD2-CG 3.74Å; L175-V190 HydrophobicContact CD1-CB 4.44Å; L175-V190 HydrophobicContact CD1-CG1 4.36Å; L175-V190 HydrophobicContact CD1-CG2 4.13Å; L175-V190 HydrophobicContact CD2-CB 4.15Å; L175-V190 HydrophobicContact CD2-CG2 4.26Å; L175-V190 HydrophobicContact CG-CB 4.38Å; L175-V190 HydrophobicContact CG-CG2 3.99Å
176G96.2Very high90.3Very high1 Ų129.4 Ų29.41%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-66.3133.2175.500000113.2D84 S87 N89D84-G176 CarbonylContact O-C 3.6Å; D84-G176 WeakPolarHBondContact O-CA 3.2Å; S87-G176 VanDerWaalsContact C-CA 3.46Å; S87-G176 CarbonylContact O-C 3.45Å; S87-G176 WeakPolarHBondContact O-CA 3.17Å; S87-G176 WeakPolarHBondContact OG-CA 3.39Å; N89-G176 PolarHBondContact O-N 2.93Å
177M97.4Very high91.2Very high3 Ų329.8 Ų29.82%0.01518%0.178CC..  trans-122.115.4-176.7-58.4-163.477.100113.4F83 D84 T85 S87 L175 F205 F207 L221 W246F83-M177 HydrophobicContact CB-SD 3.73Å; F83-M177 HydrophobicContact CD1-SD 4.05Å; F83-M177 HydrophobicContact CG-SD 4.33Å; D84-M177 PolarHBondContact O-N 3.15Å; T85-M177 HydrophobicContact CG2-CB 4.06Å; S87-M177 PolarHBondContact O-N 3.35Å; L175-M177 HydrophobicContact CD2-CG 3.74Å; M177-F205 HydrophobicContact CB-CE2 4.23Å; M177-F205 HydrophobicContact CB-CZ 3.88Å; M177-F205 HydrophobicContact CE-CB 4.28Å; M177-F205 HydrophobicContact CE-CD1 3.82Å; M177-F205 HydrophobicContact CE-CD2 3.55Å; M177-F205 HydrophobicContact CE-CE1 3.98Å; M177-F205 HydrophobicContact CE-CE2 3.71Å; M177-F205 HydrophobicContact CE-CG 3.61Å; M177-F205 HydrophobicContact CE-CZ 3.93Å; M177-F205 WeakPolarHBondContact O-CZ 3.4Å; M177-F205 HydrophobicContact SD-CD2 4.3Å; M177-F205 HydrophobicContact SD-CE2 4.12Å; M177-F207 HydrophobicContact SD-CE2 4.04Å; M177-F207 HydrophobicContact SD-CZ 3.91Å; M177-L221 HydrophobicContact CE-CD1 4.21Å; M177-L221 HydrophobicContact CE-CD2 4.3Å; M177-L221 HydrophobicContact SD-CD2 4.19Å; M177-W246 PolarHBondContact O-NE1 3.46Å
178A97Very high92Very high1 Ų130.2 Ų30.21%0.00818%0.181CC..SBendtrans-88.8-167.4173.400000112.4S87 S88 I182S87-A178 WeakPolarHBondContact O-CB 3.37Å; S87-A178 PolarHBondContact O-N 2.85Å; S88-A178 VanDerWaalsContact OG-C 3.26Å; S88-A178 WeakPolarHBondContact OG-CB 3.27Å; A178-I182 HydrophobicContact CB-CD1 3.59Å; A178-I182 HydrophobicContact CB-CG1 4.12Å
179Y97.6Very high93.2Very high7 Ų727.5 Ų27.53%0.02717%0.168CC..  trans-83.4154.9-176.2-74-101000112.8S88 S181 I182 L240 Q243 S244 W246 M372 N375S88-Y179 PolarHBondContact OG-N 3.28Å; S88-Y179 PolarHBondContact OG-O 3.28Å; Y179-S181 PolarHBondContact O-N 2.87Å; Y179-I182 WeakPolarHBondContact O-CG1 3.36Å; Y179-I182 PolarHBondContact O-N 3.34Å; Y179-L240 HydrophobicContact CD2-CD1 4.47Å; Y179-L240 HydrophobicContact CE2-CD1 3.38Å; Y179-L240 WeakPolarHBondContact OH-CD1 3.2Å; Y179-Q243 WeakPolarHBondContact CB-O 3.39Å; Y179-Q243 HydrophobicContact CD1-CB 3.6Å; Y179-Q243 HydrophobicContact CD1-CG 4.04Å; Y179-Q243 HydrophobicContact CE1-CB 3.85Å; Y179-Q243 HydrophobicContact CE1-CG 3.75Å; Y179-Q243 HydrophobicContact CG-CB 4.01Å; Y179-S244 WeakPolarHBondContact CB-O 3.42Å; Y179-S244 PolarHBondContact N-O 2.78Å; Y179-W246 HydrophobicContact CE2-CD2 4.13Å; Y179-W246 HydrophobicContact CE2-CE3 4.03Å; Y179-W246 HydrophobicContact CE2-CH2 4.07Å; Y179-W246 HydrophobicContact CE2-CZ2 4.15Å; Y179-W246 HydrophobicContact CE2-CZ3 4.01Å; Y179-M372 HydrophobicContact CD1-CE 4.37Å; Y179-M372 HydrophobicContact CE1-CE 4.34Å; Y179-M372 HydrophobicContact CE1-CG 3.87Å; Y179-M372 HydrophobicContact CE2-CE 4.44Å; Y179-M372 HydrophobicContact CG-CE 4.46Å; Y179-N375 VanDerWaalsContact CE1-OD1 3.32Å; Y179-N375 WeakPolarHBondContact CE1-OD1 3.26Å; Y179-N375 WeakPolarHBondContact OH-CA 3.45Å; Y179-N375 PolarHBondContact OH-OD1 3.11Å
180P96.8Very high94.1Very high53 Ų5327.1 Ų27.134%0.34416%0.164SC..G310 helixtrans-56.1-26.7-179.9-25.132.2000115.3I182 S183 P189 V192P180-I182 PolarHBondContact O-N 3.29Å; P180-I182 VanDerWaalsContact O-N 3.16Å; P180-S183 WeakPolarHBondContact O-CB 3.43Å; P180-S183 PolarHBondContact O-N 3.29Å; P180-P189 HydrophobicContact CB-CG 4.46Å; P180-P189 HydrophobicContact CG-CG 4.24Å; P180-V192 HydrophobicContact CG-CG1 4.43Å; P180-V192 HydrophobicContact CG-CG2 3.94Å
181S95.8Very high94.9Very high81 Ų8120.1 Ų20.157%0.56613%0.134SC*.G310 helixtrans-64.4-19-175.863.20000113.9Y179 Q243 S244Y179-S181 PolarHBondContact O-N 2.87Å; S181-Q243 PolarHBondContact OG-O 2.98Å; S181-S244 VanDerWaalsContact OG-CA 3.31Å; S181-S244 WeakPolarHBondContact OG-CA 3.45Å
182I91.8Very high95.4Very high11 Ų1120.6 Ų20.66%0.05614%0.137CC..G310 helixtrans-107.211.6173.270.8167.8000112.7P55 S88 A178 Y179 P180 V184 Y245P55-I182 HydrophobicContact CB-CB 3.82Å; P55-I182 WeakPolarHBondContact CB-O 3.44Å; S88-I182 WeakPolarHBondContact OG-CG1 3.25Å; A178-I182 HydrophobicContact CB-CD1 3.59Å; A178-I182 HydrophobicContact CB-CG1 4.12Å; Y179-I182 WeakPolarHBondContact O-CG1 3.36Å; Y179-I182 PolarHBondContact O-N 3.34Å; P180-I182 PolarHBondContact O-N 3.29Å; P180-I182 VanDerWaalsContact O-N 3.16Å; I182-V184 PolarHBondContact O-N 2.59Å; I182-Y245 HydrophobicContact CD1-CD1 3.35Å; I182-Y245 HydrophobicContact CD1-CE1 3.29Å; I182-Y245 HydrophobicContact CD1-CG 4.13Å
183S93.8Very high95.7Very high10 Ų1021 Ų217%0.0714%0.139CC..  trans-77.1125.7172.9-172.10000109.9N89 P180 D185 G186 V187N89-S183 PolarHBondContact ND2-OG 2.69Å; N89-S183 PolarHBondContact OD1-OG 3.28Å; P180-S183 WeakPolarHBondContact O-CB 3.43Å; P180-S183 PolarHBondContact O-N 3.29Å; S183-D185 PolarHBondContact O-N 3.23Å; S183-G186 PolarHBondContact O-N 2.52Å; S183-V187 WeakPolarHBondContact CB-O 3.45Å; S183-V187 PolarHBondContact OG-N 3.2Å; S183-V187 PolarHBondContact OG-O 2.88Å
184V90Very high95.9Very high13 Ų1321.1 Ų21.18%0.07914%0.14CC..G310 helixtrans-56.5138.4165.8179.30000108.8P55 N89 F125 S126 V127 I182 G186 V187P55-V184 HydrophobicContact CG-CG2 4.44Å; N89-V184 PolarHBondContact ND2-O 3.26Å; N89-V184 VanDerWaalsContact ND2-O 3.14Å; N89-V184 WeakPolarHBondContact OD1-CB 3.4Å; N89-V184 PolarHBondContact OD1-N 3.44Å; F125-V184 HydrophobicContact CD2-CB 4.5Å; F125-V184 HydrophobicContact CD2-CG1 4.07Å; F125-V184 HydrophobicContact CE2-CB 3.93Å; F125-V184 HydrophobicContact CE2-CG1 3.97Å; S126-V184 WeakPolarHBondContact O-CG1 3.38Å; V127-V184 HydrophobicContact CG2-CG2 4.34Å; I182-V184 PolarHBondContact O-N 2.59Å; V184-G186 PolarHBondContact O-N 3.49Å; V184-G186 VanDerWaalsContact O-N 3.08Å; V184-V187 PolarHBondContact O-N 3.46Å
185D90.7Very high96.2Very high93 Ų9323.8 Ų23.850%0.49715%0.154SC..G310 helixtrans56.417.2-176.6-54.5-41.2000115.8L138 S183 V187L138-D185 HydrophobicContact CD1-CB 4.36Å; S183-D185 PolarHBondContact O-N 3.23Å; D185-V187 HydrophobicContact CB-CG2 4.35Å; D185-V187 PolarHBondContact O-N 2.78Å
186G93.1Very high96.2Very high59 Ų5930.1 Ų30.161%0.60818%0.183SC*.G310 helixtrans65.519.6179.300000114S183 V184S183-G186 PolarHBondContact O-N 2.52Å; V184-G186 PolarHBondContact O-N 3.49Å; V184-G186 VanDerWaalsContact O-N 3.08Å
187V96.9Very high96.3Very high12 Ų1233.2 Ų33.27%0.07320%0.197CC..PPolyproline II helixtrans-59136.7176.4177.40000110L138 T154 S183 V184 D185 P189L138-V187 HydrophobicContact CD1-CG2 3.76Å; L138-V187 HydrophobicContact CD2-CG2 4.03Å; T154-V187 HydrophobicContact CG2-CG1 4.08Å; T154-V187 HydrophobicContact CG2-CG2 4.26Å; T154-V187 WeakPolarHBondContact O-CG1 3.35Å; S183-V187 WeakPolarHBondContact CB-O 3.45Å; S183-V187 PolarHBondContact OG-N 3.2Å; S183-V187 PolarHBondContact OG-O 2.88Å; V184-V187 PolarHBondContact O-N 3.46Å; D185-V187 HydrophobicContact CB-CG2 4.35Å; D185-V187 PolarHBondContact O-N 2.78Å; V187-P189 WeakPolarHBondContact O-CD 3.42Å
188T98.3Very high96.3Very high51 Ų5135 Ų3531%0.31322%0.216SC..PPolyproline II helixtrans-75.1122.9177.6-60.20000110.2Q153 V192 N193Q153-T188 PolarHBondContact NE2-O 2.92Å; T188-V192 HydrophobicContact CG2-CB 3.84Å; T188-V192 HydrophobicContact CG2-CG1 3.64Å; T188-N193 WeakPolarHBondContact CG2-OD1 3.3Å
189P98.3Very high96.3Very high2 Ų235.9 Ų35.91%0.01322%0.22CC..PPolyproline II helixtrans-62.4154.4179-23.534.8000112.8S88 P180 V187 F191 V192 N193S88-P189 WeakPolarHBondContact O-CB 3.39Å; P180-P189 HydrophobicContact CB-CG 4.46Å; P180-P189 HydrophobicContact CG-CG 4.24Å; V187-P189 WeakPolarHBondContact O-CD 3.42Å; P189-F191 PolarHBondContact O-N 3.04Å; P189-V192 HydrophobicContact CB-CG2 4.16Å; P189-V192 HydrophobicContact CG-CG2 4.21Å; P189-V192 WeakPolarHBondContact O-CB 3.41Å; P189-V192 PolarHBondContact O-N 3.31Å; P189-V192 VanDerWaalsContact O-N 3.08Å; P189-N193 PolarHBondContact O-N 3.45Å; P189-N193 VanDerWaalsContact O-N 3.07Å
190V98.5Very high96.2Very high3 Ų336.2 Ų36.22%0.01822%0.223CC..Hα-helixtrans-55.4-48-175.9178.70000112.4L90 L143 V150 Q153 L175 V192 N193 M194L90-V190 HydrophobicContact CB-CG2 4.1Å; L90-V190 HydrophobicContact CD2-CG2 4Å; L143-V190 HydrophobicContact CD1-CG1 4.46Å; L143-V190 HydrophobicContact CD1-CG2 4.21Å; L143-V190 HydrophobicContact CD2-CG1 3.91Å; V150-V190 HydrophobicContact CG2-CG1 4.18Å; Q153-V190 HydrophobicContact CG-CG2 4.04Å; L175-V190 HydrophobicContact CD1-CB 4.44Å; L175-V190 HydrophobicContact CD1-CG1 4.36Å; L175-V190 HydrophobicContact CD1-CG2 4.13Å; L175-V190 HydrophobicContact CD2-CB 4.15Å; L175-V190 HydrophobicContact CD2-CG2 4.26Å; L175-V190 HydrophobicContact CG-CB 4.38Å; L175-V190 HydrophobicContact CG-CG2 3.99Å; V190-V192 VanDerWaalsContact C-N 3.28Å; V190-V192 PolarHBondContact O-N 2.82Å; V190-N193 PolarHBondContact O-N 3.1Å; V190-M194 HydrophobicContact CG1-CE 3.73Å; V190-M194 HydrophobicContact CG1-SD 4.35Å; V190-M194 WeakPolarHBondContact O-CG 3.22Å; V190-M194 PolarHBondContact O-N 2.93Å
191F98.3Very high96.1Very high5 Ų539.3 Ų39.32%0.02223%0.233CC..Hα-helixtrans-67.9-30.3-178-170.3-117.7000112.7P189 M194 I195 V200 F205 I223 M372P189-F191 PolarHBondContact O-N 3.04Å; F191-M194 HydrophobicContact CD2-CB 4.38Å; F191-M194 HydrophobicContact CD2-SD 3.96Å; F191-M194 WeakPolarHBondContact O-CB 3.18Å; F191-M194 PolarHBondContact O-N 2.95Å; F191-I195 HydrophobicContact CD1-CD1 3.83Å; F191-I195 HydrophobicContact CE1-CD1 3.53Å; F191-I195 HydrophobicContact CE1-CG1 4.18Å; F191-I195 HydrophobicContact CZ-CD1 4.03Å; F191-I195 HydrophobicContact CZ-CG1 4.19Å; F191-I195 WeakPolarHBondContact O-CG1 3.25Å; F191-I195 PolarHBondContact O-N 2.64Å; F191-V200 HydrophobicContact CE2-CG1 4.34Å; F191-F205 AromaticContact CD1-CD1 3.58Å; F191-F205 HydrophobicContact CD1-CD1 3.58Å; F191-F205 AromaticContact CD1-CE1 3.67Å; F191-F205 HydrophobicContact CD1-CE1 3.67Å; F191-F205 HydrophobicContact CD2-CD1 4.19Å; F191-F205 AromaticContact CE1-CD1 3.47Å; F191-F205 HydrophobicContact CE1-CD1 3.47Å; F191-F205 VanDerWaalsContact CE1-CD1 3.47Å; F191-F205 AromaticContact CE1-CE1 3.89Å; F191-F205 HydrophobicContact CE1-CE1 3.89Å; F191-F205 HydrophobicContact CE2-CD1 4.13Å; F191-F205 AromaticContact CG-CD1 3.94Å; F191-F205 HydrophobicContact CG-CD1 3.94Å; F191-F205 HydrophobicContact CG-CE1 4.2Å; F191-F205 AromaticContact CZ-CD1 3.78Å; F191-F205 HydrophobicContact CZ-CD1 3.78Å; F191-I223 HydrophobicContact CD2-CG2 4.06Å; F191-I223 HydrophobicContact CE2-CG2 3.7Å; F191-M372 HydrophobicContact CD1-CE 4.17Å; F191-M372 HydrophobicContact CD1-SD 4.04Å; F191-M372 HydrophobicContact CE1-CB 4.07Å; F191-M372 HydrophobicContact CE1-SD 4.46Å
192V98.4Very high96.2Very high15 Ų1537.8 Ų37.89%0.09122%0.222CC..Hα-helixtrans-67.5-43.1174.61780000110.3P180 T188 P189 V190 M194 I195 Q196 M372P180-V192 HydrophobicContact CG-CG1 4.43Å; P180-V192 HydrophobicContact CG-CG2 3.94Å; T188-V192 HydrophobicContact CG2-CB 3.84Å; T188-V192 HydrophobicContact CG2-CG1 3.64Å; P189-V192 HydrophobicContact CB-CG2 4.16Å; P189-V192 HydrophobicContact CG-CG2 4.21Å; P189-V192 WeakPolarHBondContact O-CB 3.41Å; P189-V192 PolarHBondContact O-N 3.31Å; P189-V192 VanDerWaalsContact O-N 3.08Å; V190-V192 VanDerWaalsContact C-N 3.28Å; V190-V192 PolarHBondContact O-N 2.82Å; V192-M194 VanDerWaalsContact C-N 3.33Å; V192-M194 PolarHBondContact O-N 3.39Å; V192-I195 PolarHBondContact O-N 3.39Å; V192-Q196 HydrophobicContact CG1-CG 4.41Å; V192-Q196 WeakPolarHBondContact O-CB 3.46Å; V192-Q196 WeakPolarHBondContact O-CG 3.27Å; V192-Q196 PolarHBondContact O-N 2.49Å; V192-M372 HydrophobicContact CG2-CE 4.28Å; V192-M372 HydrophobicContact CG2-SD 3.79Å
193N98.4Very high96.4Very high19 Ų1939.4 Ų39.410%0.10223%0.233CC..Hα-helixtrans-61.5-39.7172.3-84.1-28.6000112.1V150 Q153 T188 P189 V190 I195 Q196 Q197V150-N193 HydrophobicContact CG1-CB 3.68Å; Q153-N193 PolarHBondContact OE1-ND2 3.43Å; T188-N193 WeakPolarHBondContact CG2-OD1 3.3Å; P189-N193 PolarHBondContact O-N 3.45Å; P189-N193 VanDerWaalsContact O-N 3.07Å; V190-N193 PolarHBondContact O-N 3.1Å; N193-I195 VanDerWaalsContact C-N 3.35Å; N193-I195 PolarHBondContact O-N 3Å; N193-Q196 PolarHBondContact O-N 3.14Å; N193-Q197 VanDerWaalsContact O-CB 3.25Å; N193-Q197 WeakPolarHBondContact O-CB 3.38Å; N193-Q197 WeakPolarHBondContact O-CG 3.21Å; N193-Q197 PolarHBondContact O-N 2.97Å
194M98.1Very high96.7Very high2 Ų239.4 Ų39.41%0.0123%0.233CC..Hα-helixtrans-58.6-44.6174.8-70.7173.3171.200112.4L145 L148 V150 V190 F191 V192 G198 I199 V200 I223L145-M194 HydrophobicContact CB-CE 4.21Å; L145-M194 HydrophobicContact CD2-CE 4.13Å; L148-M194 HydrophobicContact CB-CE 4.32Å; L148-M194 HydrophobicContact CD1-CE 4.23Å; L148-M194 HydrophobicContact CD1-SD 4.18Å; V150-M194 HydrophobicContact CG2-CE 3.6Å; V150-M194 HydrophobicContact CG2-CG 3.46Å; V150-M194 VanDerWaalsContact CG2-CG 3.46Å; V150-M194 HydrophobicContact CG2-SD 4.41Å; V190-M194 HydrophobicContact CG1-CE 3.73Å; V190-M194 HydrophobicContact CG1-SD 4.35Å; V190-M194 WeakPolarHBondContact O-CG 3.22Å; V190-M194 PolarHBondContact O-N 2.93Å; F191-M194 HydrophobicContact CD2-CB 4.38Å; F191-M194 HydrophobicContact CD2-SD 3.96Å; F191-M194 WeakPolarHBondContact O-CB 3.18Å; F191-M194 PolarHBondContact O-N 2.95Å; V192-M194 VanDerWaalsContact C-N 3.33Å; V192-M194 PolarHBondContact O-N 3.39Å; M194-G198 PolarHBondContact O-N 3.34Å; M194-I199 HydrophobicContact CB-CD1 4.24Å; M194-I199 HydrophobicContact CB-CG1 4.02Å; M194-I199 HydrophobicContact CG-CD1 3.96Å; M194-I199 HydrophobicContact CG-CG1 4.26Å; M194-I199 WeakPolarHBondContact O-CG1 3.36Å; M194-I199 PolarHBondContact O-N 2.56Å; M194-V200 HydrophobicContact CB-CG1 3.85Å; M194-V200 HydrophobicContact CB-CG2 4.46Å; M194-V200 HydrophobicContact CG-CG1 4.47Å; M194-V200 HydrophobicContact SD-CG1 4.37Å; M194-I223 HydrophobicContact CE-CD1 4.4Å; M194-I223 HydrophobicContact SD-CD1 4.32Å; M194-I223 HydrophobicContact SD-CG2 4.04Å
195I97.8Very high97.1Very high56 Ų5638.8 Ų38.829%0.28723%0.229SC..Hα-helixtrans-65.1-49.2177-65.9164.9000110.5F191 V192 N193 Q197 G198 V200 P203 M372F191-I195 HydrophobicContact CD1-CD1 3.83Å; F191-I195 HydrophobicContact CE1-CD1 3.53Å; F191-I195 HydrophobicContact CE1-CG1 4.18Å; F191-I195 HydrophobicContact CZ-CD1 4.03Å; F191-I195 HydrophobicContact CZ-CG1 4.19Å; F191-I195 WeakPolarHBondContact O-CG1 3.25Å; F191-I195 PolarHBondContact O-N 2.64Å; V192-I195 PolarHBondContact O-N 3.39Å; N193-I195 VanDerWaalsContact C-N 3.35Å; N193-I195 PolarHBondContact O-N 3Å; I195-Q197 VanDerWaalsContact C-N 3.28Å; I195-Q197 PolarHBondContact O-N 3.19Å; I195-G198 PolarHBondContact O-N 2.76Å; I195-V200 HydrophobicContact CG1-CG2 4.02Å; I195-P203 HydrophobicContact CD1-CB 3.65Å; I195-P203 HydrophobicContact CG1-CB 3.87Å; I195-P203 HydrophobicContact CG2-CB 4.32Å; I195-M372 HydrophobicContact CD1-CB 4.21Å; I195-M372 HydrophobicContact CD1-CG 4.34Å; I195-M372 HydrophobicContact CD1-SD 3.89Å
196Q97.6Very high97.4Very high136 Ų13634.4 Ų34.464%0.63621%0.206SC*.Hα-helixtrans-63.7-33.4-178.2-72177.11.100112.7V192 N193 G198V192-Q196 HydrophobicContact CG1-CG 4.41Å; V192-Q196 WeakPolarHBondContact O-CB 3.46Å; V192-Q196 WeakPolarHBondContact O-CG 3.27Å; V192-Q196 PolarHBondContact O-N 2.49Å; N193-Q196 PolarHBondContact O-N 3.14Å; Q196-G198 VanDerWaalsContact C-N 3.27Å
197Q97.8Very high97.7Very high66 Ų6631.7 Ų31.731%0.30818%0.177SC..THydrogen-bonded Turntrans-80.7-6.4176.1-66.6177.633.300113K151 N193 I195 I199K151-Q197 PolarHBondContact O-NE2 2.99Å; N193-Q197 VanDerWaalsContact O-CB 3.25Å; N193-Q197 WeakPolarHBondContact O-CB 3.38Å; N193-Q197 WeakPolarHBondContact O-CG 3.21Å; N193-Q197 PolarHBondContact O-N 2.97Å; I195-Q197 VanDerWaalsContact C-N 3.28Å; I195-Q197 PolarHBondContact O-N 3.19Å; Q197-I199 VanDerWaalsContact C-N 3.28Å; Q197-I199 HydrophobicContact CB-CG1 4.4Å; Q197-I199 HydrophobicContact CB-CG2 4.22Å; Q197-I199 PolarHBondContact O-N 3.12Å
198G96.9Very high97.6Very high39 Ų3931.4 Ų31.440%0.40218%0.175SC..THydrogen-bonded Turntrans66.925.7177.900000114.1M194 I195 Q196M194-G198 PolarHBondContact O-N 3.34Å; I195-G198 PolarHBondContact O-N 2.76Å; Q196-G198 VanDerWaalsContact C-N 3.27Å
199I96.5Very high97.3Very high20 Ų2029 Ų2910%0.10316%0.16CC..  trans-92.4-7.3-175.658.3173.4000113.6V11 E14 L148 S149 V150 M194 Q197V11-I199 HydrophobicContact CG1-CG2 3.77Å; E14-I199 PolarHBondContact N-O 2.85Å; L148-I199 HydrophobicContact CB-CD1 4.49Å; L148-I199 HydrophobicContact CD2-CB 4.48Å; L148-I199 WeakPolarHBondContact CD2-O 3.37Å; S149-I199 WeakPolarHBondContact O-CD1 3.35Å; V150-I199 HydrophobicContact CG2-CD1 3.97Å; M194-I199 HydrophobicContact CB-CD1 4.24Å; M194-I199 HydrophobicContact CB-CG1 4.02Å; M194-I199 HydrophobicContact CG-CD1 3.96Å; M194-I199 HydrophobicContact CG-CG1 4.26Å; M194-I199 WeakPolarHBondContact O-CG1 3.36Å; M194-I199 PolarHBondContact O-N 2.56Å; Q197-I199 VanDerWaalsContact C-N 3.28Å; Q197-I199 HydrophobicContact CB-CG1 4.4Å; Q197-I199 HydrophobicContact CB-CG2 4.22Å; Q197-I199 PolarHBondContact O-N 3.12Å
200V96.3Very high96.8Very high14 Ų1429 Ų299%0.08516%0.161CC..BIsolated β-bridgetrans-107.6141.2176.9-69.20000111.2L148 F191 M194 I195 S202 I223L148-V200 HydrophobicContact CD1-CG1 3.84Å; L148-V200 HydrophobicContact CD2-CG1 4.48Å; F191-V200 HydrophobicContact CE2-CG1 4.34Å; M194-V200 HydrophobicContact CB-CG1 3.85Å; M194-V200 HydrophobicContact CB-CG2 4.46Å; M194-V200 HydrophobicContact CG-CG1 4.47Å; M194-V200 HydrophobicContact SD-CG1 4.37Å; I195-V200 HydrophobicContact CG1-CG2 4.02Å; V200-S202 VanDerWaalsContact C-N 3.34Å; V200-S202 PolarHBondContact O-N 3.31Å; V200-I223 HydrophobicContact CG1-CG2 3.64Å
201E95Very high96Very high119 Ų11931.8 Ų31.856%0.55617%0.171SC*.SBendtrans-63.5-39.1-179-174.4177164.100112.7E14 V15E14-E201 PolarHBondContact O-N 3.4Å; V15-E201 HydrophobicContact CG2-CB 3.98Å; V15-E201 WeakPolarHBondContact CG2-OE2 3.4Å
202S96.8Very high95Very high49 Ų4934.7 Ų34.734%0.34319%0.186SC..SBendtrans-138.1150.9174.7-710000110.5V200 V204 G224V200-S202 VanDerWaalsContact C-N 3.34Å; V200-S202 PolarHBondContact O-N 3.31Å; S202-V204 PolarHBondContact O-N 2.8Å; S202-G224 WeakPolarHBondContact CB-O 3.37Å; S202-G224 PolarHBondContact N-O 3.24Å; S202-G224 WeakPolarHBondContact O-CA 3.29Å
203P97.8Very high93.7Very high44 Ų4438.8 Ų38.829%0.28621%0.207SC..SBendtrans-75.946.9176.535.2-39.7000111.9I195 M372 G373I195-P203 HydrophobicContact CD1-CB 3.65Å; I195-P203 HydrophobicContact CG1-CB 3.87Å; I195-P203 HydrophobicContact CG2-CB 4.32Å; P203-M372 PolarHBondContact O-N 2.94Å; P203-G373 VanDerWaalsContact CG-CA 3.46Å; P203-G373 PolarHBondContact O-N 3.37Å
204V98.3Very high92.4Very high11 Ų1142.8 Ų42.87%0.06724%0.236CC..EExtended strand (participates in β ladder)trans-129.7149.7179.3-49.10000110.3S202 G224 I226 F370 D371S202-V204 PolarHBondContact O-N 2.8Å; V204-G224 WeakPolarHBondContact O-CA 3.27Å; V204-G224 PolarHBondContact O-N 3.48Å; V204-I226 HydrophobicContact CG2-CG1 4.34Å; V204-F370 VanDerWaalsContact CA-O 3.29Å; V204-F370 WeakPolarHBondContact CA-O 3.46Å; V204-D371 HydrophobicContact CG1-CB 3.96Å
205F98.6Very high91.1Very high0 Ų043.2 Ų43.20%024%0.24CC..EExtended strand (participates in β ladder)trans-135.6161.116159.8-90000109.4T85 M177 F191 F207 L221 M222 I223 W246 F370T85-F205 HydrophobicContact CG2-CE2 3.74Å; T85-F205 HydrophobicContact CG2-CZ 4.15Å; M177-F205 HydrophobicContact CB-CE2 4.23Å; M177-F205 HydrophobicContact CB-CZ 3.88Å; M177-F205 HydrophobicContact CE-CB 4.28Å; M177-F205 HydrophobicContact CE-CD1 3.82Å; M177-F205 HydrophobicContact CE-CD2 3.55Å; M177-F205 HydrophobicContact CE-CE1 3.98Å; M177-F205 HydrophobicContact CE-CE2 3.71Å; M177-F205 HydrophobicContact CE-CG 3.61Å; M177-F205 HydrophobicContact CE-CZ 3.93Å; M177-F205 WeakPolarHBondContact O-CZ 3.4Å; M177-F205 HydrophobicContact SD-CD2 4.3Å; M177-F205 HydrophobicContact SD-CE2 4.12Å; F191-F205 AromaticContact CD1-CD1 3.58Å; F191-F205 HydrophobicContact CD1-CD1 3.58Å; F191-F205 AromaticContact CD1-CE1 3.67Å; F191-F205 HydrophobicContact CD1-CE1 3.67Å; F191-F205 HydrophobicContact CD2-CD1 4.19Å; F191-F205 AromaticContact CE1-CD1 3.47Å; F191-F205 HydrophobicContact CE1-CD1 3.47Å; F191-F205 VanDerWaalsContact CE1-CD1 3.47Å; F191-F205 AromaticContact CE1-CE1 3.89Å; F191-F205 HydrophobicContact CE1-CE1 3.89Å; F191-F205 HydrophobicContact CE2-CD1 4.13Å; F191-F205 AromaticContact CG-CD1 3.94Å; F191-F205 HydrophobicContact CG-CD1 3.94Å; F191-F205 HydrophobicContact CG-CE1 4.2Å; F191-F205 AromaticContact CZ-CD1 3.78Å; F191-F205 HydrophobicContact CZ-CD1 3.78Å; F205-F207 HydrophobicContact CD2-CD2 4.11Å; F205-F207 AromaticContact CD2-CE2 3.74Å; F205-F207 HydrophobicContact CD2-CE2 3.74Å; F205-F207 HydrophobicContact CE2-CD2 4.35Å; F205-F207 AromaticContact CE2-CE2 3.82Å; F205-F207 HydrophobicContact CE2-CE2 3.82Å; F205-L221 HydrophobicContact CB-CD1 4.08Å; F205-L221 HydrophobicContact CD2-CD1 4.13Å; F205-L221 HydrophobicContact CG-CD1 4.49Å; F205-M222 CarbonylContact C-O 3.56Å; F205-M222 WeakPolarHBondContact CA-O 3.48Å; F205-M222 WeakPolarHBondContact CB-O 3.48Å; F205-I223 HydrophobicContact CB-CG1 4.45Å; F205-W246 HydrophobicContact CE1-CH2 4.21Å; F205-W246 AromaticContact CE1-CZ2 3.58Å; F205-W246 HydrophobicContact CE1-CZ2 3.58Å; F205-W246 AromaticContact CZ-CE2 3.87Å; F205-W246 HydrophobicContact CZ-CH2 4.35Å; F205-W246 AromaticContact CZ-CZ2 3.48Å; F205-W246 HydrophobicContact CZ-CZ2 3.48Å; F205-W246 VanDerWaalsContact CZ-CZ2 3.48Å; F205-W246 AromaticContact CZ-NE1 3.95Å; F205-F370 HydrophobicContact CD1-CB 4.19Å; F205-F370 HydrophobicContact CD2-CB 3.76Å; F205-F370 AromaticContact CD2-CD2 3.71Å; F205-F370 HydrophobicContact CD2-CD2 3.71Å; F205-F370 HydrophobicContact CD2-CG 4.02Å; F205-F370 HydrophobicContact CE1-CB 3.81Å; F205-F370 HydrophobicContact CE2-CB 3.32Å; F205-F370 HydrophobicContact CE2-CD1 4.23Å; F205-F370 AromaticContact CE2-CD2 3.33Å; F205-F370 HydrophobicContact CE2-CD2 3.33Å; F205-F370 HydrophobicContact CE2-CE2 4.16Å; F205-F370 AromaticContact CE2-CG 3.36Å; F205-F370 HydrophobicContact CE2-CG 3.36Å; F205-F370 HydrophobicContact CG-CB 4.18Å; F205-F370 HydrophobicContact CZ-CB 3.35Å; F205-F370 HydrophobicContact CZ-CD1 4.36Å; F205-F370 HydrophobicContact CZ-CD2 4.18Å; F205-F370 AromaticContact CZ-CG 3.73Å; F205-F370 HydrophobicContact CZ-CG 3.73Å; F205-F370 PolarHBondContact N-O 3.13Å; F205-F370 PolarHBondContact O-N 3.47Å
206S98.4Very high89.7Confident0 Ų047.4 Ų47.40%027%0.268CS..EExtended strand (participates in β ladder)trans-148.4151-176.452.50000112.9L221 M222 G225 Y367 T368S206-L221 WeakPolarHBondContact O-CA 3.46Å; S206-M222 PolarHBondContact N-O 3.38Å; S206-M222 PolarHBondContact O-N 2.93Å; S206-G225 PolarHBondContact OG-O 3.34Å; S206-Y367 WeakPolarHBondContact CB-OH 3.47Å; S206-Y367 PolarHBondContact OG-OH 2.91Å; S206-T368 CarbonylContact C-O 3.59Å; S206-T368 WeakPolarHBondContact CA-O 3.37Å; S206-T368 WeakPolarHBondContact CB-O 3.34Å
207F97.7Very high88.7Confident3 Ų343.8 Ų43.81%0.01325%0.253CS..EExtended strand (participates in β ladder)trans-119.3128.7-175.6-80.6-96.1000111.1L20 F83 T85 M177 F205 L209 E220 L221 T271 I363 Y367 T368 F370L20-F207 HydrophobicContact CD1-CD1 3.78Å; L20-F207 HydrophobicContact CD1-CE1 3.83Å; F83-F207 HydrophobicContact CB-CE1 4.13Å; F83-F207 HydrophobicContact CB-CZ 3.73Å; T85-F207 HydrophobicContact CG2-CE2 4.07Å; M177-F207 HydrophobicContact SD-CE2 4.04Å; M177-F207 HydrophobicContact SD-CZ 3.91Å; F205-F207 HydrophobicContact CD2-CD2 4.11Å; F205-F207 AromaticContact CD2-CE2 3.74Å; F205-F207 HydrophobicContact CD2-CE2 3.74Å; F205-F207 HydrophobicContact CE2-CD2 4.35Å; F205-F207 AromaticContact CE2-CE2 3.82Å; F205-F207 HydrophobicContact CE2-CE2 3.82Å; F207-L209 HydrophobicContact CD1-CD2 4.09Å; F207-E220 WeakPolarHBondContact CA-O 3.3Å; F207-L221 HydrophobicContact CD1-CB 4.42Å; F207-L221 HydrophobicContact CD2-CD1 4.08Å; F207-L221 HydrophobicContact CE1-CB 4.1Å; F207-L221 HydrophobicContact CE1-CD1 4.3Å; F207-L221 HydrophobicContact CE2-CD1 3.65Å; F207-L221 HydrophobicContact CZ-CB 4.36Å; F207-L221 HydrophobicContact CZ-CD1 3.78Å; F207-L221 HydrophobicContact CZ-CD2 4.28Å; F207-L221 HydrophobicContact CZ-CG 4.36Å; F207-T271 HydrophobicContact CD1-CG2 3.95Å; F207-T271 HydrophobicContact CD2-CG2 3.94Å; F207-T271 HydrophobicContact CE1-CG2 3.98Å; F207-T271 HydrophobicContact CE2-CG2 3.95Å; F207-T271 HydrophobicContact CG-CG2 3.91Å; F207-T271 HydrophobicContact CZ-CG2 3.96Å; F207-I363 HydrophobicContact CB-CG2 4.24Å; F207-Y367 WeakPolarHBondContact O-CD2 3.36Å; F207-T368 PolarHBondContact N-O 3.37Å; F207-T368 PolarHBondContact O-N 2.82Å; F207-T368 VanDerWaalsContact O-N 3.17Å; F207-F370 AromaticContact CD2-CD2 3.94Å; F207-F370 HydrophobicContact CD2-CD2 3.94Å; F207-F370 AromaticContact CD2-CE2 3.61Å; F207-F370 HydrophobicContact CD2-CE2 3.61Å; F207-F370 HydrophobicContact CE2-CD2 4.44Å; F207-F370 HydrophobicContact CE2-CE2 4.22Å; F207-F370 HydrophobicContact CG-CE2 4.48Å
208Y95Very high88Confident5 Ų540.7 Ų40.72%0.0224%0.238CC..EExtended strand (participates in β ladder)trans-107.6123.9157.1164.4-105.2000108.2G219 E220 Y230 L383 H384 P385Y208-G219 CarbonylContact O-C 3.6Å; Y208-G219 WeakPolarHBondContact O-CA 3.32Å; Y208-E220 HydrophobicContact CD1-CB 4.43Å; Y208-E220 PolarHBondContact N-O 3.23Å; Y208-E220 PolarHBondContact O-N 2.95Å; Y208-Y230 AromaticContact CD1-CD1 3.67Å; Y208-Y230 HydrophobicContact CD1-CD1 3.67Å; Y208-Y230 AromaticContact CD1-CE1 3.74Å; Y208-Y230 HydrophobicContact CD1-CE1 3.74Å; Y208-Y230 HydrophobicContact CD1-CG 4.07Å; Y208-Y230 AromaticContact CD2-CD1 3.72Å; Y208-Y230 HydrophobicContact CD2-CD1 3.72Å; Y208-Y230 AromaticContact CD2-CG 3.87Å; Y208-Y230 HydrophobicContact CD2-CG 3.87Å; Y208-Y230 AromaticContact CE1-CD1 3.89Å; Y208-Y230 HydrophobicContact CE1-CD1 3.89Å; Y208-Y230 AromaticContact CE1-CE1 3.83Å; Y208-Y230 HydrophobicContact CE1-CE1 3.83Å; Y208-Y230 AromaticContact CE2-CD1 3.9Å; Y208-Y230 HydrophobicContact CE2-CD1 3.9Å; Y208-Y230 HydrophobicContact CE2-CG 4.48Å; Y208-Y230 AromaticContact CG-CD1 3.59Å; Y208-Y230 HydrophobicContact CG-CD1 3.59Å; Y208-Y230 HydrophobicContact CG-CD2 4.21Å; Y208-Y230 HydrophobicContact CG-CE1 4.15Å; Y208-Y230 AromaticContact CG-CG 3.63Å; Y208-Y230 HydrophobicContact CG-CG 3.63Å; Y208-L383 WeakPolarHBondContact CE2-O 3.11Å; Y208-H384 AromaticContact CE2-CE1 3.77Å; Y208-H384 AromaticContact CE2-ND1 3.28Å; Y208-H384 VanDerWaalsContact CE2-ND1 3.28Å; Y208-H384 WeakPolarHBondContact CE2-ND1 3.36Å; Y208-H384 AromaticContact CZ-ND1 3.57Å; Y208-H384 PolarHBondContact OH-ND1 2.59Å; Y208-H384 VanDerWaalsContact OH-ND1 3.09Å; Y208-P385 WeakPolarHBondContact OH-CD 3.37Å
209L92.9Very high87.8Confident1 Ų138.8 Ų38.81%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-119121.5174.6-57.7-179.9000109.8L20 Y66 F207 D360 I363 G364 H384L20-L209 HydrophobicContact CD1-CD2 3.71Å; Y66-L209 HydrophobicContact CD1-CD2 4.09Å; Y66-L209 HydrophobicContact CD2-CD1 3.97Å; Y66-L209 HydrophobicContact CD2-CD2 3.78Å; Y66-L209 HydrophobicContact CD2-CG 4.37Å; Y66-L209 HydrophobicContact CE1-CD2 4.38Å; Y66-L209 HydrophobicContact CE2-CB 4.21Å; Y66-L209 HydrophobicContact CE2-CD1 3.86Å; Y66-L209 HydrophobicContact CE2-CD2 4.1Å; Y66-L209 HydrophobicContact CE2-CG 4.29Å; Y66-L209 HydrophobicContact CG-CD2 3.79Å; F207-L209 HydrophobicContact CD1-CD2 4.09Å; L209-D360 HydrophobicContact CD1-CB 4.25Å; L209-D360 WeakPolarHBondContact CD1-OD1 3.37Å; L209-I363 HydrophobicContact CD1-CB 4.03Å; L209-I363 HydrophobicContact CD1-CG2 3.58Å; L209-I363 HydrophobicContact CG-CG2 3.99Å; L209-G364 WeakPolarHBondContact O-CA 3.18Å; L209-H384 PolarHBondContact O-CE1 3.23Å
210S87.4Confident87.7Confident3 Ų338.7 Ų38.72%0.02122%0.218CC..  trans-80.5119.6172.1-174.60000109.9Y66 N212 G218Y66-S210 PolarHBondContact OH-O 2.87Å; S210-N212 PolarHBondContact O-N 3.33Å; S210-N212 PolarHBondContact OG-N 3.18Å; S210-G218 WeakPolarHBondContact CA-O 3.44Å; S210-G218 VanDerWaalsContact CB-O 3.24Å; S210-G218 WeakPolarHBondContact CB-O 3.31Å; S210-G218 PolarHBondContact N-O 3.46Å
211R82.1Confident87.7Confident61 Ų6138 Ų3823%0.2321%0.214CC..  trans-72.3-6.1173.8-62.1-62.6-57.8-175.2-2113.4I213 D360R211-I213 PolarHBondContact O-N 2.9Å; R211-D360 PolarHBondContact NH1-O 3.29Å
212N78Confident87.8Confident65 Ų6532.9 Ų32.935%0.34819%0.19SC..  trans-83100176.1179.712.2000110.3S210 S214 A215S210-N212 PolarHBondContact O-N 3.33Å; S210-N212 PolarHBondContact OG-N 3.18Å; N212-S214 PolarHBondContact O-N 2.88Å; N212-S214 VanDerWaalsContact O-N 3.09Å; N212-S214 PolarHBondContact OD1-N 3.37Å; N212-S214 VanDerWaalsContact OD1-N 3.08Å; N212-A215 HydrophobicContact CB-CB 4.12Å; N212-A215 VanDerWaalsContact O-CB 3.24Å; N212-A215 WeakPolarHBondContact O-CB 3.25Å; N212-A215 PolarHBondContact O-N 3.44Å
213I70.4Confident87.8Confident102 Ų10230.7 Ų30.752%0.52317%0.174SC..THydrogen-bonded Turntrans-62.9-15.2178.661.6168.7000114.1R211R211-I213 PolarHBondContact O-N 2.9Å
214S71.4Confident87.7Confident103 Ų10328.6 Ų28.672%0.7216%0.161SC*.THydrogen-bonded Turntrans-94.6-0.8176.3-54.70000112.8N212N212-S214 PolarHBondContact O-N 2.88Å; N212-S214 VanDerWaalsContact O-N 3.09Å; N212-S214 PolarHBondContact OD1-N 3.37Å; N212-S214 VanDerWaalsContact OD1-N 3.08Å
215A69.8Low87.6Confident11 Ų1128.6 Ų28.69%0.09116%0.163CC..  trans-69.6140.6175.500000110.4N212 L217N212-A215 HydrophobicContact CB-CB 4.12Å; N212-A215 VanDerWaalsContact O-CB 3.24Å; N212-A215 WeakPolarHBondContact O-CB 3.25Å; N212-A215 PolarHBondContact O-N 3.44Å; A215-L217 VanDerWaalsContact C-N 3.27Å; A215-L217 WeakPolarHBondContact CB-O 3.42Å; A215-L217 PolarHBondContact O-N 3.28Å
216V68.8Low87.6Confident144 Ų14431.1 Ų31.187%0.87318%0.176SC*.SBendtrans-64-38.1174.9178.70000110.6
217L75.7Confident87.4Confident60 Ų6031.9 Ų31.931%0.31418%0.18SC..  trans-103.5108.8172.5-17269000108.7P19 A215 G219P19-L217 HydrophobicContact CB-CD1 3.47Å; P19-L217 VanDerWaalsContact CB-CD1 3.47Å; A215-L217 VanDerWaalsContact C-N 3.27Å; A215-L217 WeakPolarHBondContact CB-O 3.42Å; A215-L217 PolarHBondContact O-N 3.28Å; L217-G219 VanDerWaalsContact C-N 3.29Å; L217-G219 WeakPolarHBondContact CD1-O 3.49Å; L217-G219 WeakPolarHBondContact CG-O 3.33Å
218G84.9Confident87.2Confident0 Ų039.6 Ų39.60%021%0.213CC..  trans-74.3-22.817800000112.4L20 Y66 S210L20-G218 CarbonylContact O-C 3.59Å; L20-G218 VanDerWaalsContact O-CA 3.32Å; L20-G218 WeakPolarHBondContact O-CA 3.45Å; L20-G218 PolarHBondContact O-N 3.04Å; Y66-G218 WeakPolarHBondContact CE1-O 3.33Å; S210-G218 WeakPolarHBondContact CA-O 3.44Å; S210-G218 VanDerWaalsContact CB-O 3.24Å; S210-G218 WeakPolarHBondContact CB-O 3.31Å; S210-G218 PolarHBondContact N-O 3.46Å
219G91.7Very high87.2Confident0 Ų044.9 Ų44.90%024%0.237CC..EExtended strand (participates in β ladder)trans176.4-173.2177.200000112.1L20 Y208 L217L20-G219 PolarHBondContact N-O 3Å; L20-G219 PolarHBondContact O-N 3.3Å; L20-G219 VanDerWaalsContact O-N 3.09Å; Y208-G219 CarbonylContact O-C 3.6Å; Y208-G219 WeakPolarHBondContact O-CA 3.32Å; L217-G219 VanDerWaalsContact C-N 3.29Å; L217-G219 WeakPolarHBondContact CD1-O 3.49Å; L217-G219 WeakPolarHBondContact CG-O 3.33Å
220E94.2Very high87.3Confident17 Ų1745 Ų458%0.07924%0.237CC..EExtended strand (participates in β ladder)trans-142130.7174-169.9-179.7109.100109.1R17 I18 F207 Y208 Y230R17-E220 HydrophobicContact CB-CG 4.23Å; R17-E220 WeakPolarHBondContact CD-OE1 3.42Å; R17-E220 WeakPolarHBondContact CG-OE1 2.94Å; R17-E220 IonicContact NE-OE1 3.74Å; I18-E220 WeakPolarHBondContact O-CA 3.31Å; F207-E220 WeakPolarHBondContact CA-O 3.3Å; Y208-E220 HydrophobicContact CD1-CB 4.43Å; Y208-E220 PolarHBondContact N-O 3.23Å; Y208-E220 PolarHBondContact O-N 2.95Å; E220-Y230 HydrophobicContact CB-CE2 4.15Å; E220-Y230 VanDerWaalsContact CD-CE2 3.42Å; E220-Y230 HydrophobicContact CG-CE2 4.41Å; E220-Y230 WeakPolarHBondContact OE1-CE2 3.41Å; E220-Y230 VanDerWaalsContact OE2-CE2 3.24Å; E220-Y230 WeakPolarHBondContact OE2-CE2 3.21Å; E220-Y230 PolarHBondContact OE2-OH 3Å
221L96.3Very high87.7Confident0 Ų046.6 Ų46.60%024%0.243CC..EExtended strand (participates in β ladder)trans-97.6122.6162.1162.462.1000107.7I18 L20 F83 M177 F205 S206 F207 I223I18-L221 HydrophobicContact CB-CB 4.21Å; I18-L221 PolarHBondContact N-O 2.89Å; I18-L221 PolarHBondContact O-N 3.07Å; L20-L221 HydrophobicContact CD1-CB 4.28Å; L20-L221 HydrophobicContact CD2-CB 4.23Å; L20-L221 HydrophobicContact CG-CB 4.38Å; F83-L221 HydrophobicContact CB-CD2 4.16Å; F83-L221 HydrophobicContact CD1-CD2 3.43Å; F83-L221 VanDerWaalsContact CD1-CD2 3.43Å; F83-L221 HydrophobicContact CD2-CD2 3.99Å; F83-L221 HydrophobicContact CE1-CD2 3.72Å; F83-L221 HydrophobicContact CE2-CD2 4.23Å; F83-L221 HydrophobicContact CG-CD2 3.59Å; F83-L221 HydrophobicContact CZ-CD2 4.12Å; M177-L221 HydrophobicContact CE-CD1 4.21Å; M177-L221 HydrophobicContact CE-CD2 4.3Å; M177-L221 HydrophobicContact SD-CD2 4.19Å; F205-L221 HydrophobicContact CB-CD1 4.08Å; F205-L221 HydrophobicContact CD2-CD1 4.13Å; F205-L221 HydrophobicContact CG-CD1 4.49Å; S206-L221 WeakPolarHBondContact O-CA 3.46Å; F207-L221 HydrophobicContact CD1-CB 4.42Å; F207-L221 HydrophobicContact CD2-CD1 4.08Å; F207-L221 HydrophobicContact CE1-CB 4.1Å; F207-L221 HydrophobicContact CE1-CD1 4.3Å; F207-L221 HydrophobicContact CE2-CD1 3.65Å; F207-L221 HydrophobicContact CZ-CB 4.36Å; F207-L221 HydrophobicContact CZ-CD1 3.78Å; F207-L221 HydrophobicContact CZ-CD2 4.28Å; F207-L221 HydrophobicContact CZ-CG 4.36Å; L221-I223 HydrophobicContact CD1-CG1 4.13Å; L221-I223 HydrophobicContact CD2-CD1 4.23Å; L221-I223 HydrophobicContact CD2-CG1 4.26Å; L221-I223 HydrophobicContact CG-CG1 4.01Å
222M96.6Very high88.4Confident12 Ų1245.8 Ų45.86%0.05925%0.246CC..EExtended strand (participates in β ladder)trans-106.8121.9171.8-173.2-178-165.300109.8V15 V16 F205 S206 I226 D227V15-M222 HydrophobicContact CB-CE 4.44Å; V15-M222 HydrophobicContact CG1-CE 3.13Å; V15-M222 HydrophobicContact CG1-CG 4.03Å; V15-M222 HydrophobicContact CG1-SD 4.36Å; V16-M222 CarbonylContact O-C 3.33Å; V16-M222 WeakPolarHBondContact O-CA 3.41Å; F205-M222 CarbonylContact C-O 3.56Å; F205-M222 WeakPolarHBondContact CA-O 3.48Å; F205-M222 WeakPolarHBondContact CB-O 3.48Å; S206-M222 PolarHBondContact N-O 3.38Å; S206-M222 PolarHBondContact O-N 2.93Å; M222-I226 PolarHBondContact SD-N 3.08Å; M222-I226 VanDerWaalsContact SD-N 3.35Å; M222-D227 HydrophobicContact CE-CB 4.31Å; M222-D227 HydrophobicContact SD-CB 3.57Å; M222-D227 VanDerWaalsContact SD-CB 3.57Å; M222-D227 PolarHBondContact SD-N 3.16Å
223I97.5Very high89.2Confident2 Ų245.8 Ų45.81%0.0126%0.262CS..EExtended strand (participates in β ladder)trans-102.9134.9176.3-58.6-174.4000108.6V15 V16 L145 L148 F191 M194 V200 F205 L221 G225V15-I223 WeakPolarHBondContact CA-O 3.29Å; V16-I223 PolarHBondContact N-O 3.26Å; V16-I223 PolarHBondContact O-N 3.45Å; L145-I223 HydrophobicContact CD2-CD1 3.25Å; L145-I223 HydrophobicContact CG-CD1 4.12Å; L148-I223 HydrophobicContact CD1-CB 4.07Å; L148-I223 HydrophobicContact CD1-CG2 3.62Å; F191-I223 HydrophobicContact CD2-CG2 4.06Å; F191-I223 HydrophobicContact CE2-CG2 3.7Å; M194-I223 HydrophobicContact CE-CD1 4.4Å; M194-I223 HydrophobicContact SD-CD1 4.32Å; M194-I223 HydrophobicContact SD-CG2 4.04Å; V200-I223 HydrophobicContact CG1-CG2 3.64Å; F205-I223 HydrophobicContact CB-CG1 4.45Å; L221-I223 HydrophobicContact CD1-CG1 4.13Å; L221-I223 HydrophobicContact CD2-CD1 4.23Å; L221-I223 HydrophobicContact CD2-CG1 4.26Å; L221-I223 HydrophobicContact CG-CG1 4.01Å; I223-G225 VanDerWaalsContact C-N 3.32Å
224G96.9Very high90.5Very high1 Ų148.7 Ų48.71%0.0127%0.273CS..SBendtrans86.5-1.7179.700000114.2S202 V204S202-G224 WeakPolarHBondContact CB-O 3.37Å; S202-G224 PolarHBondContact N-O 3.24Å; S202-G224 WeakPolarHBondContact O-CA 3.29Å; V204-G224 WeakPolarHBondContact O-CA 3.27Å; V204-G224 PolarHBondContact O-N 3.48Å
225G96.3Very high91.7Very high10 Ų1045.2 Ų45.210%0.10325%0.246CC..SBendtrans-164.9-173.5-172.500000115.8S206 I223S206-G225 PolarHBondContact OG-O 3.34Å; I223-G225 VanDerWaalsContact C-N 3.32Å
226I97.2Very high93.1Very high53 Ų5345.9 Ų45.927%0.27225%0.248SC..  trans-133.2123.3-178.5-56.2174.5000107.7V204 M222 Y231 I235 Y237 Y367 V369V204-I226 HydrophobicContact CG2-CG1 4.34Å; M222-I226 PolarHBondContact SD-N 3.08Å; M222-I226 VanDerWaalsContact SD-N 3.35Å; I226-Y231 HydrophobicContact CG2-CD1 4.47Å; I226-Y231 HydrophobicContact CG2-CE1 3.7Å; I226-I235 HydrophobicContact CD1-CD1 4.19Å; I226-I235 HydrophobicContact CG2-CD1 3.82Å; I226-Y237 WeakPolarHBondContact CD1-OH 3.41Å; I226-Y367 HydrophobicContact CG2-CE1 3.85Å; I226-V369 HydrophobicContact CD1-CG1 3.9Å; I226-V369 HydrophobicContact CD1-CG2 4.13Å; I226-V369 HydrophobicContact CG1-CG1 4.01Å; I226-V369 HydrophobicContact CG1-CG2 4.08Å; I226-V369 HydrophobicContact CG2-CG2 4.03Å
227D94.1Very high94.5Very high16 Ų1641.2 Ų41.29%0.08622%0.215CC..  trans-94.2106.9-176.6-158-40.9000111R17 M222 K229 Y230 Y231 Y367R17-D227 IonicContact CZ-OD2 3.35Å; R17-D227 IonicContact NE-OD2 2.9Å; R17-D227 PolarHBondContact NE-OD2 2.95Å; R17-D227 IonicContact NH2-OD2 2.91Å; R17-D227 PolarHBondContact NH2-OD2 3.2Å; M222-D227 HydrophobicContact CE-CB 4.31Å; M222-D227 HydrophobicContact SD-CB 3.57Å; M222-D227 VanDerWaalsContact SD-CB 3.57Å; M222-D227 PolarHBondContact SD-N 3.16Å; D227-K229 PolarHBondContact O-N 3Å; D227-K229 WeakPolarHBondContact OD1-CB 3.29Å; D227-K229 PolarHBondContact OD1-N 3.2Å; D227-Y230 HydrophobicContact CB-CD2 3.91Å; D227-Y230 HydrophobicContact CB-CE2 4.33Å; D227-Y230 PolarHBondContact O-N 2.82Å; D227-Y231 WeakPolarHBondContact O-CD1 3.19Å; D227-Y367 PolarHBondContact N-OH 2.6Å
228K94.4Very high95.6Very high165 Ų16539 Ų3972%0.71720%0.204SC*.G310 helixtrans-60.6-15.6178.3-65-172.6178.3179.20114Y230 Y231K228-Y230 VanDerWaalsContact C-N 3.31Å; K228-Y230 PolarHBondContact O-N 3.32Å; K228-Y231 VanDerWaalsContact CA-CE1 3.49Å; K228-Y231 HydrophobicContact CB-CE1 4.29Å; K228-Y231 HydrophobicContact CG-CE1 4.08Å
229K94Very high96.3Very high117 Ų11744.4 Ų44.451%0.50923%0.233SC..G310 helixtrans-64.4-34.7175.7177.5-174.1168.1-164.40112.7D227D227-K229 PolarHBondContact O-N 3Å; D227-K229 WeakPolarHBondContact OD1-CB 3.29Å; D227-K229 PolarHBondContact OD1-N 3.2Å
230Y95Very high96.6Very high4 Ų445.5 Ų45.52%0.01624%0.239CC..G310 helixtrans-101.79.7-167.2-62.6-64.3000114.2Y208 E220 D227 K228 Y367 A382 L383 P385Y208-Y230 AromaticContact CD1-CD1 3.67Å; Y208-Y230 HydrophobicContact CD1-CD1 3.67Å; Y208-Y230 AromaticContact CD1-CE1 3.74Å; Y208-Y230 HydrophobicContact CD1-CE1 3.74Å; Y208-Y230 HydrophobicContact CD1-CG 4.07Å; Y208-Y230 AromaticContact CD2-CD1 3.72Å; Y208-Y230 HydrophobicContact CD2-CD1 3.72Å; Y208-Y230 AromaticContact CD2-CG 3.87Å; Y208-Y230 HydrophobicContact CD2-CG 3.87Å; Y208-Y230 AromaticContact CE1-CD1 3.89Å; Y208-Y230 HydrophobicContact CE1-CD1 3.89Å; Y208-Y230 AromaticContact CE1-CE1 3.83Å; Y208-Y230 HydrophobicContact CE1-CE1 3.83Å; Y208-Y230 AromaticContact CE2-CD1 3.9Å; Y208-Y230 HydrophobicContact CE2-CD1 3.9Å; Y208-Y230 HydrophobicContact CE2-CG 4.48Å; Y208-Y230 AromaticContact CG-CD1 3.59Å; Y208-Y230 HydrophobicContact CG-CD1 3.59Å; Y208-Y230 HydrophobicContact CG-CD2 4.21Å; Y208-Y230 HydrophobicContact CG-CE1 4.15Å; Y208-Y230 AromaticContact CG-CG 3.63Å; Y208-Y230 HydrophobicContact CG-CG 3.63Å; E220-Y230 HydrophobicContact CB-CE2 4.15Å; E220-Y230 VanDerWaalsContact CD-CE2 3.42Å; E220-Y230 HydrophobicContact CG-CE2 4.41Å; E220-Y230 WeakPolarHBondContact OE1-CE2 3.41Å; E220-Y230 VanDerWaalsContact OE2-CE2 3.24Å; E220-Y230 WeakPolarHBondContact OE2-CE2 3.21Å; E220-Y230 PolarHBondContact OE2-OH 3Å; D227-Y230 HydrophobicContact CB-CD2 3.91Å; D227-Y230 HydrophobicContact CB-CE2 4.33Å; D227-Y230 PolarHBondContact O-N 2.82Å; K228-Y230 VanDerWaalsContact C-N 3.31Å; K228-Y230 PolarHBondContact O-N 3.32Å; Y230-Y367 HydrophobicContact CD2-CE2 4.47Å; Y230-A382 CarbonylContact O-C 3.52Å; Y230-A382 VanDerWaalsContact O-CA 3.29Å; Y230-A382 WeakPolarHBondContact O-CA 3.27Å; Y230-L383 PolarHBondContact O-N 3.08Å; Y230-P385 HydrophobicContact CD1-CG 4.28Å; Y230-P385 HydrophobicContact CE1-CG 3.98Å
231Y96.7Very high96.7Very high36 Ų3648.1 Ų48.114%0.14126%0.256CS..EExtended strand (participates in β ladder)trans-145161175.377.2-88.8000113.3I226 D227 K228 G233 I235 Y367 A380 K381 L383I226-Y231 HydrophobicContact CG2-CD1 4.47Å; I226-Y231 HydrophobicContact CG2-CE1 3.7Å; D227-Y231 WeakPolarHBondContact O-CD1 3.19Å; K228-Y231 VanDerWaalsContact CA-CE1 3.49Å; K228-Y231 HydrophobicContact CB-CE1 4.29Å; K228-Y231 HydrophobicContact CG-CE1 4.08Å; Y231-G233 WeakPolarHBondContact CE2-O 3.23Å; Y231-I235 HydrophobicContact CD2-CG1 4.22Å; Y231-I235 HydrophobicContact CE1-CD1 4.29Å; Y231-I235 HydrophobicContact CE2-CD1 4.12Å; Y231-I235 HydrophobicContact CE2-CG1 3.78Å; Y231-Y367 HydrophobicContact CD1-CD1 4.01Å; Y231-Y367 HydrophobicContact CD1-CE1 4.17Å; Y231-Y367 HydrophobicContact CD1-CG 4.33Å; Y231-Y367 HydrophobicContact CG-CD1 4.34Å; Y231-Y367 HydrophobicContact CG-CG 4.48Å; Y231-A380 HydrophobicContact CD2-CB 3.6Å; Y231-A380 HydrophobicContact CE2-CB 4.47Å; Y231-A380 HydrophobicContact CG-CB 3.98Å; Y231-K381 CarbonylContact C-O 3.58Å; Y231-K381 VanDerWaalsContact CA-O 3.25Å; Y231-K381 WeakPolarHBondContact CA-O 3.25Å; Y231-L383 VanDerWaalsContact O-CD1 3.29Å; Y231-L383 WeakPolarHBondContact O-CD1 3.32Å
232S96.2Very high96.7Very high43 Ų4351.6 Ų51.630%0.30127%0.272SS..EExtended strand (participates in β ladder)trans-126.9152.317655.60000111.4K381S232-K381 PolarHBondContact N-O 2.55Å; S232-K381 PolarHBondContact OG-O 3.49Å
233G95.5Very high96.6Very high65 Ų6556.3 Ų56.367%0.6729%0.294SS*.EExtended strand (participates in β ladder)trans71.1-160.6-177.900000113Y231Y231-G233 WeakPolarHBondContact CE2-O 3.23Å
234E96.4Very high96.4Very high164 Ų16456.8 Ų56.877%0.76630%0.298SS*.EExtended strand (participates in β ladder)trans-90.3143.1179.8-63.6-177.4166.400112.2N236 K320E234-N236 PolarHBondContact O-N 3.33Å; E234-K320 PolarHBondContact O-NZ 3.07Å
235I98.6Very high96.3Very high30 Ų3058.2 Ų58.215%0.15430%0.303CS..EExtended strand (participates in β ladder)trans-74.7117.4173.4-57.2171.5000108.6I226 Y231 Y237 V369 G378 A380I226-I235 HydrophobicContact CD1-CD1 4.19Å; I226-I235 HydrophobicContact CG2-CD1 3.82Å; Y231-I235 HydrophobicContact CD2-CG1 4.22Å; Y231-I235 HydrophobicContact CE1-CD1 4.29Å; Y231-I235 HydrophobicContact CE2-CD1 4.12Å; Y231-I235 HydrophobicContact CE2-CG1 3.78Å; I235-Y237 HydrophobicContact CB-CD2 4.29Å; I235-Y237 HydrophobicContact CB-CE2 3.79Å; I235-Y237 HydrophobicContact CG2-CD1 4.43Å; I235-Y237 HydrophobicContact CG2-CD2 3.88Å; I235-Y237 HydrophobicContact CG2-CE1 4.1Å; I235-Y237 HydrophobicContact CG2-CE2 3.5Å; I235-Y237 VanDerWaalsContact CG2-CE2 3.5Å; I235-Y237 HydrophobicContact CG2-CG 4.35Å; I235-Y237 PolarHBondContact O-N 3.42Å; I235-V369 HydrophobicContact CD1-CG2 4.04Å; I235-G378 VanDerWaalsContact CG2-CA 3.5Å; I235-A380 HydrophobicContact CG1-CB 4Å
236N98.6Very high96.4Very high25 Ų2557.8 Ų57.813%0.13430%0.298CS..EExtended strand (participates in β ladder)trans-84.7104174.5-173.857.3000109.4E234 I317 K320 M322 G378 F379E234-N236 PolarHBondContact O-N 3.33Å; N236-I317 PolarHBondContact ND2-O 3.3Å; N236-K320 HydrophobicContact CB-CD 3.68Å; N236-M322 HydrophobicContact CB-CE 3.6Å; N236-G378 WeakPolarHBondContact O-CA 3.46Å; N236-F379 PolarHBondContact N-O 3.21Å; N236-F379 PolarHBondContact O-N 3.45Å
237Y98.8Very high96.3Very high46 Ų4655.4 Ų55.418%0.1829%0.286CS..EExtended strand (participates in β ladder)trans-84.9145.7177.8-74-81.7000111.7I226 I235 N318 V369 D371 R376 V377 G378I226-Y237 WeakPolarHBondContact CD1-OH 3.41Å; I235-Y237 HydrophobicContact CB-CD2 4.29Å; I235-Y237 HydrophobicContact CB-CE2 3.79Å; I235-Y237 HydrophobicContact CG2-CD1 4.43Å; I235-Y237 HydrophobicContact CG2-CD2 3.88Å; I235-Y237 HydrophobicContact CG2-CE1 4.1Å; I235-Y237 HydrophobicContact CG2-CE2 3.5Å; I235-Y237 VanDerWaalsContact CG2-CE2 3.5Å; I235-Y237 HydrophobicContact CG2-CG 4.35Å; I235-Y237 PolarHBondContact O-N 3.42Å; Y237-N318 PolarHBondContact O-ND2 2.99Å; Y237-V369 HydrophobicContact CE1-CB 4.37Å; Y237-V369 HydrophobicContact CE1-CG1 4.24Å; Y237-D371 HydrophobicContact CE1-CB 4.41Å; Y237-R376 HydrophobicContact CD1-CB 4.44Å; Y237-R376 HydrophobicContact CD1-CG 3.75Å; Y237-R376 HydrophobicContact CE1-CG 4.31Å; Y237-V377 CarbonylContact C-O 3.39Å; Y237-V377 VanDerWaalsContact CA-O 3.3Å; Y237-V377 WeakPolarHBondContact CA-O 3.06Å; Y237-G378 VanDerWaalsContact CD1-CA 3.5Å
238V98.7Very high96.5Very high14 Ų1454.6 Ų54.69%0.08528%0.282CS..EExtended strand (participates in β ladder)trans-132.9130.4169.160.80000108.6F248 I317 N318 R376 V377 F379V238-F248 HydrophobicContact CG1-CB 3.77Å; V238-F248 HydrophobicContact CG1-CD1 4.37Å; V238-F248 HydrophobicContact CG1-CD2 3.69Å; V238-F248 HydrophobicContact CG1-CE2 4.41Å; V238-F248 HydrophobicContact CG1-CG 3.68Å; V238-F248 HydrophobicContact CG2-CB 3.98Å; V238-F248 HydrophobicContact CG2-CD2 4.36Å; V238-I317 HydrophobicContact CB-CG2 3.94Å; V238-I317 HydrophobicContact CG1-CG2 3.78Å; V238-I317 HydrophobicContact CG2-CG2 4.28Å; V238-N318 HydrophobicContact CB-CB 4.3Å; V238-N318 HydrophobicContact CG2-CB 4.45Å; V238-R376 VanDerWaalsContact O-CA 3.32Å; V238-R376 WeakPolarHBondContact O-CA 3.25Å; V238-R376 VanDerWaalsContact O-CB 3.28Å; V238-R376 WeakPolarHBondContact O-CB 3.48Å; V238-V377 PolarHBondContact N-O 3.44Å; V238-V377 PolarHBondContact O-N 2.92Å; V238-F379 HydrophobicContact CG1-CE2 4.1Å
239D98.6Very high96.6Very high112 Ų11251.9 Ų51.960%0.59927%0.27SS*.EExtended strand (participates in β ladder)trans-71.5147.5-179.9-63.3-25.5000110.8
240L98.5Very high96.8Very high23 Ų2346.3 Ų46.312%0.1225%0.246CC..EExtended strand (participates in β ladder)trans-71.6142.4176.3-62.5-176.9000110.8Y179 W246 L247 N375 V377Y179-L240 HydrophobicContact CD2-CD1 4.47Å; Y179-L240 HydrophobicContact CE2-CD1 3.38Å; Y179-L240 WeakPolarHBondContact OH-CD1 3.2Å; L240-W246 HydrophobicContact CD1-CE3 3.83Å; L240-W246 HydrophobicContact CD1-CZ3 4.15Å; L240-W246 HydrophobicContact CD2-CE3 4.22Å; L240-L247 CarbonylContact C-O 3.51Å; L240-L247 VanDerWaalsContact CA-O 3.23Å; L240-L247 WeakPolarHBondContact CA-O 3.4Å; L240-L247 WeakPolarHBondContact CD2-O 3.42Å; L240-N375 WeakPolarHBondContact CB-O 3.48Å; L240-N375 HydrophobicContact CD1-CB 4.4Å; L240-N375 WeakPolarHBondContact CG-O 3.25Å; L240-N375 PolarHBondContact N-O 2.93Å; L240-V377 HydrophobicContact CD2-CG2 3.87Å
241T96.2Very high96.9Very high72 Ų7248.5 Ų48.544%0.44226%0.258SS..EExtended strand (participates in β ladder)trans-78.3-29.9176.754.10000112.5L247 K249 L266T241-L247 PolarHBondContact N-O 3.15Å; T241-L247 WeakPolarHBondContact OG1-CD2 3.48Å; T241-L247 WeakPolarHBondContact OG1-CG 3.28Å; T241-L247 PolarHBondContact OG1-O 3.47Å; T241-K249 HydrophobicContact CG2-CB 4.48Å; T241-L266 HydrophobicContact CG2-CD2 3.86Å
242E95.1Very high97Very high74 Ų7451 Ų5135%0.34627%0.27SS..EExtended strand (participates in β ladder)trans-157.2156.2174.947.8176.4-131.700109.1S244 L247 R353E242-S244 VanDerWaalsContact C-N 3.3Å; E242-S244 PolarHBondContact O-N 3.08Å; E242-S244 VanDerWaalsContact O-N 3.16Å; E242-S244 PolarHBondContact OE1-OG 3.37Å; E242-L247 HydrophobicContact CG-CD2 3.57Å; E242-R353 IonicContact OE1-NH1 3.12Å; E242-R353 PolarHBondContact OE1-NH1 3.21Å; E242-R353 IonicContact OE2-CZ 2.68Å; E242-R353 IonicContact OE2-NH1 2.69Å; E242-R353 PolarHBondContact OE2-NH1 3.3Å; E242-R353 IonicContact OE2-NH2 2.79Å; E242-R353 PolarHBondContact OE2-NH2 3.08Å
243Q95.3Very high97Very high110 Ų11049 Ų4951%0.51426%0.255SS..EExtended strand (participates in β ladder)trans-89.463.2-179.1-67.3173.422.200110.6Y179 S181 N375Y179-Q243 WeakPolarHBondContact CB-O 3.39Å; Y179-Q243 HydrophobicContact CD1-CB 3.6Å; Y179-Q243 HydrophobicContact CD1-CG 4.04Å; Y179-Q243 HydrophobicContact CE1-CB 3.85Å; Y179-Q243 HydrophobicContact CE1-CG 3.75Å; Y179-Q243 HydrophobicContact CG-CB 4.01Å; S181-Q243 PolarHBondContact OG-O 2.98Å; Q243-N375 PolarHBondContact NE2-ND2 2.81Å
244S94Very high97.1Very high13 Ų1347.2 Ų47.29%0.09123%0.232CC..THydrogen-bonded Turntrans-115.6-92.7177.260.50000110.7Y179 S181 E242Y179-S244 WeakPolarHBondContact CB-O 3.42Å; Y179-S244 PolarHBondContact N-O 2.78Å; S181-S244 VanDerWaalsContact OG-CA 3.31Å; S181-S244 WeakPolarHBondContact OG-CA 3.45Å; E242-S244 VanDerWaalsContact C-N 3.3Å; E242-S244 PolarHBondContact O-N 3.08Å; E242-S244 VanDerWaalsContact O-N 3.16Å; E242-S244 PolarHBondContact OE1-OG 3.37Å
245Y94.3Very high97.1Very high31 Ų3139.4 Ų39.412%0.12220%0.195CC..THydrogen-bonded Turntrans-79.7-180159.6-54-79.8000109.6P55 L58 G86 I182 L247 I268P55-Y245 PolarHBondContact O-OH 2.85Å; L58-Y245 HydrophobicContact CD1-CD2 4.33Å; L58-Y245 HydrophobicContact CD1-CE1 3.97Å; L58-Y245 HydrophobicContact CD1-CE2 3.6Å; L58-Y245 WeakPolarHBondContact CD1-OH 3.33Å; G86-Y245 WeakPolarHBondContact O-CD1 3.45Å; G86-Y245 VanDerWaalsContact O-CE1 3.25Å; G86-Y245 WeakPolarHBondContact O-CE1 3.44Å; I182-Y245 HydrophobicContact CD1-CD1 3.35Å; I182-Y245 HydrophobicContact CD1-CE1 3.29Å; I182-Y245 HydrophobicContact CD1-CG 4.13Å; Y245-L247 PolarHBondContact O-N 3.27Å; Y245-I268 HydrophobicContact CD2-CG2 4.5Å; Y245-I268 HydrophobicContact CG-CG2 4.18Å
246W97.6Very high96.8Very high0 Ų041.9 Ų41.90%022%0.215CC..EExtended strand (participates in β ladder)trans-73.160.9163.5-64.196.5000110.8T85 M177 Y179 F205 L240 F248 I268 A269 F370 M372 V377T85-W246 VanDerWaalsContact O-CD1 3.27Å; M177-W246 PolarHBondContact O-NE1 3.46Å; Y179-W246 HydrophobicContact CE2-CD2 4.13Å; Y179-W246 HydrophobicContact CE2-CE3 4.03Å; Y179-W246 HydrophobicContact CE2-CH2 4.07Å; Y179-W246 HydrophobicContact CE2-CZ2 4.15Å; Y179-W246 HydrophobicContact CE2-CZ3 4.01Å; F205-W246 HydrophobicContact CE1-CH2 4.21Å; F205-W246 AromaticContact CE1-CZ2 3.58Å; F205-W246 HydrophobicContact CE1-CZ2 3.58Å; F205-W246 AromaticContact CZ-CE2 3.87Å; F205-W246 HydrophobicContact CZ-CH2 4.35Å; F205-W246 AromaticContact CZ-CZ2 3.48Å; F205-W246 HydrophobicContact CZ-CZ2 3.48Å; F205-W246 VanDerWaalsContact CZ-CZ2 3.48Å; F205-W246 AromaticContact CZ-NE1 3.95Å; L240-W246 HydrophobicContact CD1-CE3 3.83Å; L240-W246 HydrophobicContact CD1-CZ3 4.15Å; L240-W246 HydrophobicContact CD2-CE3 4.22Å; W246-F248 WeakPolarHBondContact O-CD1 3.32Å; W246-I268 WeakPolarHBondContact O-CA 3.34Å; W246-A269 PolarHBondContact O-N 3.11Å; W246-F370 HydrophobicContact CB-CD1 4.13Å; W246-F370 HydrophobicContact CB-CE1 4.04Å; W246-F370 AromaticContact CD1-CD1 3.84Å; W246-F370 AromaticContact CD1-CE1 3.97Å; W246-F370 HydrophobicContact CD2-CB 4.25Å; W246-F370 AromaticContact CD2-CD1 3.38Å; W246-F370 HydrophobicContact CD2-CD1 3.38Å; W246-F370 HydrophobicContact CD2-CE1 4.15Å; W246-F370 HydrophobicContact CD2-CG 4.27Å; W246-F370 AromaticContact CE2-CD1 3.65Å; W246-F370 HydrophobicContact CE3-CB 4.18Å; W246-F370 AromaticContact CE3-CD1 3.77Å; W246-F370 HydrophobicContact CE3-CD1 3.77Å; W246-F370 HydrophobicContact CE3-CG 4.48Å; W246-F370 AromaticContact CG-CD1 3.51Å; W246-F370 HydrophobicContact CG-CD1 3.51Å; W246-F370 AromaticContact CG-CE1 3.77Å; W246-F370 HydrophobicContact CG-CE1 3.77Å; W246-F370 HydrophobicContact CH2-CB 3.65Å; W246-F370 HydrophobicContact CZ2-CB 3.74Å; W246-F370 HydrophobicContact CZ2-CD1 4.28Å; W246-F370 HydrophobicContact CZ2-CG 4.43Å; W246-F370 HydrophobicContact CZ3-CB 3.88Å; W246-F370 HydrophobicContact CZ3-CD1 4.35Å; W246-F370 AromaticContact NE1-CD1 3.9Å; W246-M372 HydrophobicContact CH2-CB 3.95Å; W246-M372 HydrophobicContact CH2-CE 4.24Å; W246-M372 HydrophobicContact CZ2-CE 3.88Å; W246-V377 HydrophobicContact CB-CG2 3.94Å; W246-V377 HydrophobicContact CD2-CG2 4.33Å; W246-V377 HydrophobicContact CE3-CG2 3.67Å; W246-V377 HydrophobicContact CG-CG2 4.47Å
247L96.4Very high96.5Very high3 Ų346.9 Ų46.92%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-89.7120.1-171.1-168.772.6000111.2L240 T241 E242 Y245 L266 A267 I268 L355L240-L247 CarbonylContact C-O 3.51Å; L240-L247 VanDerWaalsContact CA-O 3.23Å; L240-L247 WeakPolarHBondContact CA-O 3.4Å; L240-L247 WeakPolarHBondContact CD2-O 3.42Å; T241-L247 PolarHBondContact N-O 3.15Å; T241-L247 WeakPolarHBondContact OG1-CD2 3.48Å; T241-L247 WeakPolarHBondContact OG1-CG 3.28Å; T241-L247 PolarHBondContact OG1-O 3.47Å; E242-L247 HydrophobicContact CG-CD2 3.57Å; Y245-L247 PolarHBondContact O-N 3.27Å; L247-L266 HydrophobicContact CD1-CB 3.99Å; L247-L266 HydrophobicContact CD2-CD1 4.24Å; L247-L266 HydrophobicContact CG-CB 4.49Å; L247-A267 WeakPolarHBondContact CA-O 3.1Å; L247-I268 HydrophobicContact CB-CG2 4.17Å; L247-I268 HydrophobicContact CD1-CG2 3.4Å; L247-I268 VanDerWaalsContact CD1-CG2 3.4Å; L247-I268 HydrophobicContact CG-CG2 4.41Å; L247-L355 HydrophobicContact CD1-CD1 3.33Å
248F97.8Very high96.3Very high0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-135.9168179.959.3-89.3000111.1V238 W246 L266 A267 A269 I317 L358 V377 F379V238-F248 HydrophobicContact CG1-CB 3.77Å; V238-F248 HydrophobicContact CG1-CD1 4.37Å; V238-F248 HydrophobicContact CG1-CD2 3.69Å; V238-F248 HydrophobicContact CG1-CE2 4.41Å; V238-F248 HydrophobicContact CG1-CG 3.68Å; V238-F248 HydrophobicContact CG2-CB 3.98Å; V238-F248 HydrophobicContact CG2-CD2 4.36Å; W246-F248 WeakPolarHBondContact O-CD1 3.32Å; F248-L266 WeakPolarHBondContact O-CA 3.15Å; F248-A267 WeakPolarHBondContact CD1-O 3.36Å; F248-A267 HydrophobicContact CD2-CB 4.39Å; F248-A267 HydrophobicContact CE1-CB 4.45Å; F248-A267 HydrophobicContact CE2-CB 3.81Å; F248-A267 HydrophobicContact CZ-CB 3.84Å; F248-A267 PolarHBondContact N-O 3.06Å; F248-A267 PolarHBondContact O-N 3.11Å; F248-A269 HydrophobicContact CE1-CB 4.06Å; F248-I317 HydrophobicContact CD2-CG2 4.19Å; F248-I317 HydrophobicContact CE2-CD1 3.86Å; F248-I317 HydrophobicContact CE2-CG1 4.24Å; F248-I317 HydrophobicContact CE2-CG2 4.1Å; F248-I317 HydrophobicContact CZ-CD1 4.35Å; F248-L358 HydrophobicContact CE2-CD1 4.44Å; F248-L358 HydrophobicContact CZ-CD1 3.84Å; F248-V377 HydrophobicContact CD1-CG2 4.42Å; F248-F379 HydrophobicContact CE1-CE2 4.27Å; F248-F379 AromaticContact CE1-CZ 3.85Å; F248-F379 HydrophobicContact CE1-CZ 3.85Å; F248-F379 HydrophobicContact CE2-CE2 4.19Å; F248-F379 HydrophobicContact CE2-CZ 4.4Å; F248-F379 AromaticContact CZ-CE2 3.91Å; F248-F379 HydrophobicContact CZ-CE2 3.91Å; F248-F379 AromaticContact CZ-CZ 3.67Å; F248-F379 HydrophobicContact CZ-CZ 3.67Å
249K97.3Very high96.1Very high108 Ų10848.8 Ų48.847%0.4726%0.257SS..EExtended strand (participates in β ladder)trans-83.3127.1173.6-173.2179.9178.5-176.60110.5T241 C265T241-K249 HydrophobicContact CG2-CB 4.48Å; K249-C265 WeakPolarHBondContact CA-O 3.35Å
250M97.7Very high95.9Very high0 Ų043.6 Ų43.60%023%0.229CC..EExtended strand (participates in β ladder)trans-97.3133.5163.1-178.517167.100108.6L253 G264 C265 A267 F315 V316 I317 W356M250-L253 HydrophobicContact CE-CB 4.43Å; M250-G264 CarbonylContact O-C 3.49Å; M250-G264 WeakPolarHBondContact O-CA 3.5Å; M250-C265 WeakPolarHBondContact CE-SG 3.33Å; M250-C265 PolarHBondContact N-O 2.88Å; M250-C265 PolarHBondContact O-N 2.68Å; M250-A267 HydrophobicContact CB-CB 4.12Å; M250-F315 HydrophobicContact SD-CB 4.28Å; M250-F315 HydrophobicContact SD-CD1 3.55Å; M250-F315 VanDerWaalsContact SD-CD1 3.55Å; M250-F315 HydrophobicContact SD-CE1 4.36Å; M250-F315 HydrophobicContact SD-CG 4.37Å; M250-V316 WeakPolarHBondContact CG-O 3.43Å; M250-I317 HydrophobicContact CG-CG1 4.18Å; M250-W356 HydrophobicContact CE-CB 4.23Å; M250-W356 HydrophobicContact CE-CD2 4.04Å; M250-W356 HydrophobicContact CE-CG 3.77Å
251D97.5Very high95.5Very high49 Ų4942.8 Ų42.826%0.26223%0.225SC..  trans-74.7-43.7-173.5-60.7-42.9000111.7G264 V316 N318 G319D251-G264 WeakPolarHBondContact O-CA 3.25Å; D251-G264 PolarHBondContact O-N 2.89Å; D251-V316 HydrophobicContact CB-CB 4.18Å; D251-V316 HydrophobicContact CB-CG1 4.01Å; D251-V316 WeakPolarHBondContact CB-O 3.36Å; D251-V316 PolarHBondContact N-O 3.05Å; D251-N318 PolarHBondContact OD2-N 3.29Å; D251-G319 PolarHBondContact OD2-N 2.77Å
252K97Very high95.3Very high90 Ų9043.3 Ų43.339%0.39123%0.23SC..EExtended strand (participates in β ladder)trans-173.1164.7175.955.6-173.9175.3-1750110.6T254 T259 C261 V316K252-T254 HydrophobicContact CD-CG2 4.06Å; K252-T254 HydrophobicContact CG-CG2 4.32Å; K252-T259 HydrophobicContact CB-CG2 4.08Å; K252-T259 HydrophobicContact CD-CG2 4.43Å; K252-C261 WeakPolarHBondContact CA-O 3.31Å; K252-V316 HydrophobicContact CG-CB 3.86Å; K252-V316 HydrophobicContact CG-CG2 3.81Å; K252-V316 PolarHBondContact O-N 2.81Å
253L97.4Very high95.1Very high0 Ų046.9 Ų46.90%025%0.251CS..EExtended strand (participates in β ladder)trans-116.3130.4165.4179.6160.7000108.8M250 I255 T259 A260 I286 I313 D314 F315 W356M250-L253 HydrophobicContact CE-CB 4.43Å; L253-I255 HydrophobicContact CD2-CG2 4.46Å; L253-T259 CarbonylContact O-C 3.57Å; L253-T259 WeakPolarHBondContact O-CA 3.12Å; L253-A260 HydrophobicContact CB-CB 4.05Å; L253-A260 HydrophobicContact CD2-CB 4.01Å; L253-A260 PolarHBondContact N-O 2.79Å; L253-A260 PolarHBondContact O-N 2.84Å; L253-I286 HydrophobicContact CD1-CD1 4.11Å; L253-I286 HydrophobicContact CD2-CD1 3.92Å; L253-I286 HydrophobicContact CD2-CG1 4.43Å; L253-I313 HydrophobicContact CD1-CG2 4.26Å; L253-I313 HydrophobicContact CD2-CG2 3.77Å; L253-I313 HydrophobicContact CG-CG2 3.93Å; L253-D314 CarbonylContact C-O 3.51Å; L253-D314 WeakPolarHBondContact CA-O 3.44Å; L253-F315 HydrophobicContact CD1-CD1 4.11Å; L253-F315 HydrophobicContact CD1-CE1 3.5Å; L253-F315 VanDerWaalsContact CD1-CE1 3.5Å; L253-F315 HydrophobicContact CD1-CE2 4.17Å; L253-F315 HydrophobicContact CD1-CZ 3.5Å; L253-F315 HydrophobicContact CG-CE1 4.44Å; L253-F315 HydrophobicContact CG-CZ 4.42Å; L253-W356 HydrophobicContact CD1-CH2 4.04Å; L253-W356 HydrophobicContact CD1-CZ3 3.99Å
254T97.4Very high95.1Very high28 Ų2842.7 Ų42.717%0.17224%0.238CC..EExtended strand (participates in β ladder)trans-122.7134.4179.152.10000111.9K252 M258 T259 I313 D314K252-T254 HydrophobicContact CD-CG2 4.06Å; K252-T254 HydrophobicContact CG-CG2 4.32Å; T254-M258 WeakPolarHBondContact CA-O 3.44Å; T254-T259 HydrophobicContact CG2-CG2 4.23Å; T254-I313 WeakPolarHBondContact O-CA 3.45Å; T254-D314 PolarHBondContact N-O 3.01Å; T254-D314 PolarHBondContact O-N 3.21Å; T254-D314 WeakPolarHBondContact OG1-CB 3.14Å
255I96.4Very high95.1Very high0 Ų043 Ų430%024%0.24CC..EExtended strand (participates in β ladder)trans-136.4105.4177180176.1000108.9L253 D257 M258 I286 K289 L290 P311 I313L253-I255 HydrophobicContact CD2-CG2 4.46Å; I255-D257 PolarHBondContact O-N 2.72Å; I255-M258 HydrophobicContact CG2-CB 3.76Å; I255-M258 HydrophobicContact CG2-CG 3.92Å; I255-M258 HydrophobicContact CG2-SD 3.88Å; I255-M258 PolarHBondContact N-O 2.93Å; I255-M258 WeakPolarHBondContact O-CB 3.08Å; I255-M258 PolarHBondContact O-N 2.76Å; I255-I286 HydrophobicContact CD1-CG2 4.39Å; I255-K289 HydrophobicContact CD1-CB 4.14Å; I255-K289 HydrophobicContact CD1-CG 3.97Å; I255-K289 HydrophobicContact CG1-CG 4.18Å; I255-L290 HydrophobicContact CD1-CD2 3.81Å; I255-L290 HydrophobicContact CD1-CG 4.23Å; I255-P311 HydrophobicContact CD1-CG 3.73Å; I255-P311 HydrophobicContact CG1-CB 4.13Å; I255-P311 HydrophobicContact CG1-CG 3.58Å; I255-I313 HydrophobicContact CB-CG1 4.18Å; I255-I313 HydrophobicContact CD1-CD1 3.9Å; I255-I313 HydrophobicContact CD1-CG1 3.87Å; I255-I313 HydrophobicContact CG1-CG1 3.95Å
256S91.5Very high95.2Very high82 Ų8243.7 Ų43.757%0.57325%0.245SC*.THydrogen-bonded Turntrans53.7-118.1-170.6-51.10000111.3P311S256-P311 VanDerWaalsContact OG-CB 3.27Å; S256-P311 WeakPolarHBondContact OG-CB 3.17Å
257D92.3Very high95.1Very high129 Ų12943.7 Ų43.769%0.6925%0.245SC*.THydrogen-bonded Turntrans-87.4-6.6176.554.9-56.8000114.1I255 K289I255-D257 PolarHBondContact O-N 2.72Å; D257-K289 WeakPolarHBondContact OD1-CE 3.18Å; D257-K289 IonicContact OD1-NZ 3Å; D257-K289 PolarHBondContact OD1-NZ 3.22Å; D257-K289 IonicContact OD2-NZ 2.61Å; D257-K289 PolarHBondContact OD2-NZ 3.19Å
258M95Very high95.1Very high33 Ų3343.7 Ų43.716%0.16325%0.245CC..EExtended strand (participates in β ladder)trans-92.2136.7179.9171.7-176.4167.400111.1T254 I255 A260 K285 I286T254-M258 WeakPolarHBondContact CA-O 3.44Å; I255-M258 HydrophobicContact CG2-CB 3.76Å; I255-M258 HydrophobicContact CG2-CG 3.92Å; I255-M258 HydrophobicContact CG2-SD 3.88Å; I255-M258 PolarHBondContact N-O 2.93Å; I255-M258 WeakPolarHBondContact O-CB 3.08Å; I255-M258 PolarHBondContact O-N 2.76Å; M258-A260 HydrophobicContact CE-CB 4.32Å; M258-K285 HydrophobicContact CE-CB 3.32Å; M258-K285 HydrophobicContact CE-CD 4.22Å; M258-K285 HydrophobicContact CE-CG 4.41Å; M258-K285 HydrophobicContact SD-CB 3.88Å; M258-I286 HydrophobicContact CE-CG1 3.89Å
259T95.7Very high95.1Very high68 Ų6843.7 Ų43.742%0.41725%0.246SC..EExtended strand (participates in β ladder)trans-115128.2168.2-57.10000109.6K252 L253 T254 P262K252-T259 HydrophobicContact CB-CG2 4.08Å; K252-T259 HydrophobicContact CD-CG2 4.43Å; L253-T259 CarbonylContact O-C 3.57Å; L253-T259 WeakPolarHBondContact O-CA 3.12Å; T254-T259 HydrophobicContact CG2-CG2 4.23Å; T259-P262 HydrophobicContact CG2-CB 3.98Å
260A93.4Very high94.9Very high2 Ų238.6 Ų38.62%0.01722%0.223CC..EExtended strand (participates in β ladder)trans-100.9149.5165.100000108.5L253 M258 E282 W356L253-A260 HydrophobicContact CB-CB 4.05Å; L253-A260 HydrophobicContact CD2-CB 4.01Å; L253-A260 PolarHBondContact N-O 2.79Å; L253-A260 PolarHBondContact O-N 2.84Å; M258-A260 HydrophobicContact CE-CB 4.32Å; A260-E282 WeakPolarHBondContact CA-OE2 3.49Å; A260-E282 WeakPolarHBondContact CB-OE2 3.21Å; A260-W356 HydrophobicContact CB-CZ2 4.34Å
261C89.9Confident94.7Very high6 Ų639 Ų394%0.04123%0.226CC..SBendtrans51.754.3-179.2159.20000113K252 D263 G264 C265 E282K252-C261 WeakPolarHBondContact CA-O 3.31Å; C261-D263 VanDerWaalsContact C-N 3.28Å; C261-D263 PolarHBondContact O-N 2.88Å; C261-G264 PolarHBondContact O-N 3.26Å; C261-G264 VanDerWaalsContact O-N 3.11Å; C261-G264 VanDerWaalsContact SG-CA 3.54Å; C261-C265 HydrophobicContact CB-CB 3.85Å; C261-C265 WeakPolarHBondContact CB-SG 3.38Å; C261-C265 VanDerWaalsContact SG-CA 3.56Å; C261-C265 WeakPolarHBondContact SG-CB 3.24Å; C261-C265 PolarHBondContact SG-N 3.43Å; C261-C265 CovalentContact SG-SG 2.02Å; C261-C265 PolarHBondContact SG-SG 3.17Å; C261-E282 PolarHBondContact N-OE2 2.98Å
262P91.5Very high94.1Very high84 Ų8436.7 Ų36.755%0.54521%0.213SC..THydrogen-bonded Turntrans-64.4-27.7-170.726.9-35.9000114.6T259T259-P262 HydrophobicContact CG2-CB 3.98Å
263D91.9Very high93.5Very high148 Ų14832.6 Ų32.679%0.79120%0.196SC*.THydrogen-bonded Turntrans-96.48.6179.8-55.7-55.3000112.8C261C261-D263 VanDerWaalsContact C-N 3.28Å; C261-D263 PolarHBondContact O-N 2.88Å
264G94.3Very high92.8Very high23 Ų2332.7 Ų32.724%0.23720%0.196CC..  trans81.1159.1-168.700000113.5M250 D251 C261M250-G264 CarbonylContact O-C 3.49Å; M250-G264 WeakPolarHBondContact O-CA 3.5Å; D251-G264 WeakPolarHBondContact O-CA 3.25Å; D251-G264 PolarHBondContact O-N 2.89Å; C261-G264 PolarHBondContact O-N 3.26Å; C261-G264 VanDerWaalsContact O-N 3.11Å; C261-G264 VanDerWaalsContact SG-CA 3.54Å
265C94.9Very high92.3Very high19 Ų1931.5 Ų31.513%0.12819%0.189CC..EExtended strand (participates in β ladder)trans-153.8170.2-175.749.90000109.2K249 M250 C261K249-C265 WeakPolarHBondContact CA-O 3.35Å; M250-C265 WeakPolarHBondContact CE-SG 3.33Å; M250-C265 PolarHBondContact N-O 2.88Å; M250-C265 PolarHBondContact O-N 2.68Å; C261-C265 HydrophobicContact CB-CB 3.85Å; C261-C265 WeakPolarHBondContact CB-SG 3.38Å; C261-C265 VanDerWaalsContact SG-CA 3.56Å; C261-C265 WeakPolarHBondContact SG-CB 3.24Å; C261-C265 PolarHBondContact SG-N 3.43Å; C261-C265 CovalentContact SG-SG 2.02Å; C261-C265 PolarHBondContact SG-SG 3.17Å
266L95.6Very high92.2Very high46 Ų4631.5 Ų31.524%0.24119%0.189CC..EExtended strand (participates in β ladder)trans-87.6143.1173.9-61174.1000109.8T241 L247 F248 L355 W356T241-L266 HydrophobicContact CG2-CD2 3.86Å; L247-L266 HydrophobicContact CD1-CB 3.99Å; L247-L266 HydrophobicContact CD2-CD1 4.24Å; L247-L266 HydrophobicContact CG-CB 4.49Å; F248-L266 WeakPolarHBondContact O-CA 3.15Å; L266-L355 HydrophobicContact CB-CD1 3.76Å; L266-W356 PolarHBondContact O-N 3.27Å
267A96.5Very high92.2Very high0 Ų027.7 Ų27.70%016%0.162CC..EExtended strand (participates in β ladder)trans-135.6149.2173.700000110.4L247 F248 M250 W356 L358L247-A267 WeakPolarHBondContact CA-O 3.1Å; F248-A267 WeakPolarHBondContact CD1-O 3.36Å; F248-A267 HydrophobicContact CD2-CB 4.39Å; F248-A267 HydrophobicContact CE1-CB 4.45Å; F248-A267 HydrophobicContact CE2-CB 3.81Å; F248-A267 HydrophobicContact CZ-CB 3.84Å; F248-A267 PolarHBondContact N-O 3.06Å; F248-A267 PolarHBondContact O-N 3.11Å; M250-A267 HydrophobicContact CB-CB 4.12Å; A267-W356 CarbonylContact C-O 3.33Å; A267-W356 WeakPolarHBondContact CA-O 3.39Å; A267-W356 HydrophobicContact CB-CB 4.04Å; A267-L358 HydrophobicContact CB-CG 4.39Å
268I95.9Very high92.2Very high2 Ų221.5 Ų21.51%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-113.3142.9167.760173.2000110.4Y245 W246 L247 D270 L355 W356 I357 L358Y245-I268 HydrophobicContact CD2-CG2 4.5Å; Y245-I268 HydrophobicContact CG-CG2 4.18Å; W246-I268 WeakPolarHBondContact O-CA 3.34Å; L247-I268 HydrophobicContact CB-CG2 4.17Å; L247-I268 HydrophobicContact CD1-CG2 3.4Å; L247-I268 VanDerWaalsContact CD1-CG2 3.4Å; L247-I268 HydrophobicContact CG-CG2 4.41Å; I268-D270 HydrophobicContact CD1-CB 4.21Å; I268-D270 HydrophobicContact CG1-CB 4.3Å; I268-L355 HydrophobicContact CD1-CD2 4.29Å; I268-L355 HydrophobicContact CG1-CD2 4.39Å; I268-L355 HydrophobicContact CG2-CD1 4.22Å; I268-L355 HydrophobicContact CG2-CD2 4.23Å; I268-W356 PolarHBondContact N-O 3.26Å; I268-I357 HydrophobicContact CD1-CB 4.38Å; I268-I357 HydrophobicContact CD1-CD1 4.11Å; I268-I357 HydrophobicContact CD1-CG1 3.82Å; I268-I357 HydrophobicContact CD1-CG2 4.08Å; I268-I357 HydrophobicContact CG1-CB 4.08Å; I268-I357 HydrophobicContact CG1-CG1 3.84Å; I268-I357 HydrophobicContact CG1-CG2 3.97Å; I268-L358 PolarHBondContact O-N 3.29Å
269A96.9Very high92.1Very high1 Ų120.2 Ų20.21%0.00812%0.123CC..EExtended strand (participates in β ladder)trans-92.1117.9165.900000109.2T85 W246 F248 T368 F370 V377 F379T85-A269 PolarHBondContact OG1-O 2.74Å; W246-A269 PolarHBondContact O-N 3.11Å; F248-A269 HydrophobicContact CE1-CB 4.06Å; A269-T368 HydrophobicContact CB-CG2 4.45Å; A269-F370 HydrophobicContact CB-CE1 3.82Å; A269-F370 HydrophobicContact CB-CZ 4.06Å; A269-V377 HydrophobicContact CB-CG1 4.3Å; A269-F379 HydrophobicContact CB-CE1 4.27Å; A269-F379 HydrophobicContact CB-CZ 4.2Å
270D94.2Very high91.8Very high1 Ų118.6 Ų18.61%0.00511%0.113CC..  trans-135.4100.3-162.3-176.726.5000113.2K59 T85 G86 I268 G272 T273 I357 L358 G359K59-D270 IonicContact NZ-OD1 3.77Å; K59-D270 PolarHBondContact NZ-OD1 2.9Å; K59-D270 IonicContact NZ-OD2 3.32Å; K59-D270 PolarHBondContact NZ-OD2 3.02Å; T85-D270 VanDerWaalsContact OG1-CA 3.28Å; T85-D270 WeakPolarHBondContact OG1-CA 3.4Å; G86-D270 WeakPolarHBondContact CA-OD1 3.46Å; G86-D270 PolarHBondContact N-OD1 2.86Å; I268-D270 HydrophobicContact CD1-CB 4.21Å; I268-D270 HydrophobicContact CG1-CB 4.3Å; D270-G272 PolarHBondContact O-N 2.82Å; D270-G272 PolarHBondContact OD1-N 2.99Å; D270-T273 PolarHBondContact O-N 2.77Å; D270-T273 VanDerWaalsContact OD2-CB 3.22Å; D270-T273 WeakPolarHBondContact OD2-CB 3.26Å; D270-T273 PolarHBondContact OD2-OG1 2.9Å; D270-I357 HydrophobicContact CB-CG2 3.53Å; D270-I357 WeakPolarHBondContact OD2-CG2 3.41Å; D270-L358 PolarHBondContact N-O 3.12Å; D270-G359 WeakPolarHBondContact O-CA 3.48Å
271T92.6Very high91.8Very high8 Ų821.6 Ų21.65%0.04913%0.129CC..THydrogen-bonded Turntrans-72.4-12.2176.656.50000113.3F83 T85 F207 T273 I363 F370F83-T271 WeakPolarHBondContact O-CB 3.22Å; F83-T271 PolarHBondContact O-OG1 3.39Å; T85-T271 HydrophobicContact CG2-CG2 4.04Å; T85-T271 PolarHBondContact N-OG1 2.63Å; T85-T271 PolarHBondContact OG1-N 3.19Å; T85-T271 PolarHBondContact OG1-OG1 2.64Å; F207-T271 HydrophobicContact CD1-CG2 3.95Å; F207-T271 HydrophobicContact CD2-CG2 3.94Å; F207-T271 HydrophobicContact CE1-CG2 3.98Å; F207-T271 HydrophobicContact CE2-CG2 3.95Å; F207-T271 HydrophobicContact CG-CG2 3.91Å; F207-T271 HydrophobicContact CZ-CG2 3.96Å; T271-T273 VanDerWaalsContact C-N 3.3Å; T271-I363 HydrophobicContact CG2-CD1 3.79Å; T271-F370 HydrophobicContact CG2-CE2 4.49Å; T271-F370 HydrophobicContact CG2-CZ 4.42Å
272G86.2Confident92Very high0 Ų022.3 Ų22.30%013%0.132CC..THydrogen-bonded Turntrans-81.1-5.9173.900000114.3D84 D270D84-G272 VanDerWaalsContact OD1-CA 3.3Å; D84-G272 WeakPolarHBondContact OD1-CA 3.39Å; D84-G272 PolarHBondContact OD1-N 2.79Å; D270-G272 PolarHBondContact O-N 2.82Å; D270-G272 PolarHBondContact OD1-N 2.99Å
273T83.4Confident92.1Very high5 Ų518.3 Ų18.33%0.03111%0.106CC..  trans-122.5131.4-177.1-640000111.2D270 T271 M275 I357 G359 D360D270-T273 PolarHBondContact O-N 2.77Å; D270-T273 VanDerWaalsContact OD2-CB 3.22Å; D270-T273 WeakPolarHBondContact OD2-CB 3.26Å; D270-T273 PolarHBondContact OD2-OG1 2.9Å; T271-T273 VanDerWaalsContact C-N 3.3Å; T273-M275 WeakPolarHBondContact CG2-O 3.19Å; T273-I357 HydrophobicContact CG2-CG2 4.04Å; T273-G359 CarbonylContact O-C 3.54Å; T273-G359 WeakPolarHBondContact O-CA 3.48Å; T273-D360 PolarHBondContact O-N 2.96Å
274S82.3Confident92.3Very high1 Ų115.5 Ų15.51%0.0079%0.088CC..SBendtrans-67.4-53.5175-80.60000113.6D63 Q65 D360 I361D63-S274 WeakPolarHBondContact CB-OG 3.49Å; D63-S274 WeakPolarHBondContact O-CB 3.48Å; D63-S274 PolarHBondContact O-N 3.05Å; D63-S274 PolarHBondContact O-OG 2.87Å; Q65-S274 WeakPolarHBondContact CG-OG 3.49Å; Q65-S274 PolarHBondContact NE2-OG 2.84Å; S274-D360 PolarHBondContact O-N 2.89Å; S274-I361 WeakPolarHBondContact O-CG1 3.22Å; S274-I361 PolarHBondContact O-N 3.07Å
275M88.3Confident92.3Very high4 Ų419.9 Ų19.92%0.0210%0.101CC..SBendtrans-90.3166.5-164-72.8-170.817400111.5T273 L331 G344 M346 G359 I361T273-M275 WeakPolarHBondContact CG2-O 3.19Å; M275-L331 HydrophobicContact CE-CD1 3.86Å; M275-G344 WeakPolarHBondContact CB-O 3.49Å; M275-M346 HydrophobicContact CB-CG 3.87Å; M275-M346 HydrophobicContact CB-SD 3.87Å; M275-M346 HydrophobicContact SD-CB 4.05Å; M275-M346 HydrophobicContact SD-CG 4.33Å; M275-M346 HydrophobicContact SD-SD 4.27Å; M275-G359 PolarHBondContact O-N 3.39Å; M275-I361 HydrophobicContact CG-CD1 4.44Å
276I93Very high92.3Very high0 Ų019 Ų190%010%0.095CC..EExtended strand (participates in β ladder)trans-83.5115.6164.4-64.6157.3000107.2F315 L324 G344 F345 M346 W356 I357 L358 I361I276-F315 HydrophobicContact CD1-CE2 4.28Å; I276-F315 HydrophobicContact CD1-CZ 3.79Å; I276-F315 HydrophobicContact CG2-CE1 4.11Å; I276-F315 HydrophobicContact CG2-CZ 4.06Å; I276-L324 HydrophobicContact CD1-CD1 3.61Å; I276-G344 PolarHBondContact N-O 2.94Å; I276-F345 HydrophobicContact CB-CD1 4.04Å; I276-F345 HydrophobicContact CB-CE1 4.15Å; I276-F345 HydrophobicContact CD1-CE1 4.02Å; I276-F345 HydrophobicContact CD1-CZ 4.18Å; I276-F345 HydrophobicContact CG2-CD1 3.93Å; I276-F345 HydrophobicContact CG2-CE1 3.93Å; I276-F345 CarbonylContact O-C 3.21Å; I276-F345 WeakPolarHBondContact O-CA 3.33Å; I276-M346 PolarHBondContact O-N 3.19Å; I276-W356 HydrophobicContact CG2-CE3 3.98Å; I276-W356 HydrophobicContact CG2-CZ3 4.09Å; I276-I357 CarbonylContact C-O 3.57Å; I276-I357 VanDerWaalsContact CA-O 3.27Å; I276-I357 WeakPolarHBondContact CA-O 3.41Å; I276-L358 HydrophobicContact CG2-CD2 4.35Å; I276-I361 HydrophobicContact CD1-CB 4.27Å; I276-I361 HydrophobicContact CD1-CG2 3.63Å; I276-I361 HydrophobicContact CG1-CB 4.32Å; I276-I361 HydrophobicContact CG1-CG2 4.22Å
277A91.7Very high92.3Very high1 Ų116.9 Ų16.91%0.0088%0.083CC..EExtended strand (participates in β ladder)trans-102.5147.6175.700000111M346 L348 W356 I357A277-M346 VanDerWaalsContact CA-O 3.25Å; A277-M346 WeakPolarHBondContact CA-O 3.41Å; A277-M346 HydrophobicContact CB-CE 4.47Å; A277-M346 HydrophobicContact CB-CG 3.65Å; A277-M346 HydrophobicContact CB-SD 4.3Å; A277-L348 HydrophobicContact CB-CB 4.02Å; A277-L348 HydrophobicContact CB-CD2 4.26Å; A277-W356 CarbonylContact O-C 3.53Å; A277-W356 VanDerWaalsContact O-CA 3.28Å; A277-W356 WeakPolarHBondContact O-CA 3.26Å; A277-I357 HydrophobicContact CB-CB 3.9Å; A277-I357 HydrophobicContact CB-CD1 4.24Å; A277-I357 HydrophobicContact CB-CG1 4.12Å; A277-I357 PolarHBondContact N-O 2.62Å; A277-I357 PolarHBondContact O-N 3.43Å
278G92.8Very high92.3Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-162.4179.717600000112.4T280 M346 L348G278-T280 PolarHBondContact O-N 3.33Å; G278-M346 PolarHBondContact N-O 3.38Å; G278-M346 VanDerWaalsContact N-O 3.12Å; G278-L348 PolarHBondContact O-N 3.12Å
279P92.2Very high92.2Very high5 Ų524.2 Ų24.23%0.03213%0.129CC..  trans-50.9131.3177.1-26.635.4000111.3D281 E282 I283 K354P279-D281 VanDerWaalsContact CB-OD1 3.31Å; P279-D281 WeakPolarHBondContact CB-OD1 3.15Å; P279-D281 PolarHBondContact O-N 2.62Å; P279-E282 HydrophobicContact CB-CB 4.47Å; P279-E282 HydrophobicContact CB-CG 4.46Å; P279-E282 PolarHBondContact O-N 3.04Å; P279-E282 VanDerWaalsContact O-N 3.08Å; P279-I283 WeakPolarHBondContact O-CG1 3.17Å; P279-I283 PolarHBondContact O-N 3.26Å; P279-K354 HydrophobicContact CG-CB 3.96Å; P279-K354 HydrophobicContact CG-CD 4.17Å; P279-K354 HydrophobicContact CG-CG 4.05Å
280T90.7Very high92.1Very high34 Ų3424.4 Ų24.421%0.20913%0.13CC..Hα-helixtrans-59.4-35.7-169.9-66.70000112.2G278 Q284 D349G278-T280 PolarHBondContact O-N 3.33Å; T280-Q284 HydrophobicContact CG2-CG 4.4Å; T280-Q284 WeakPolarHBondContact O-CB 3.17Å; T280-Q284 WeakPolarHBondContact O-CG 3.44Å; T280-Q284 PolarHBondContact O-N 3.27Å; T280-D349 WeakPolarHBondContact CB-OD2 3.16Å; T280-D349 PolarHBondContact N-OD1 2.84Å; T280-D349 PolarHBondContact OG1-OD1 2.65Å; T280-D349 PolarHBondContact OG1-OD2 3.45Å
281D92.4Very high92.1Very high65 Ų6527.1 Ų27.135%0.34816%0.159SC..Hα-helixtrans-66.2-40.2178.166.8-44.1000112.6P279 K285 K354P279-D281 VanDerWaalsContact CB-OD1 3.31Å; P279-D281 WeakPolarHBondContact CB-OD1 3.15Å; P279-D281 PolarHBondContact O-N 2.62Å; D281-K285 WeakPolarHBondContact O-CG 3.34Å; D281-K285 PolarHBondContact O-N 3.08Å; D281-K354 IonicContact OD2-NZ 2.52Å
282E94.4Very high92.2Very high22 Ų2227.6 Ų27.610%0.10316%0.163CC..Hα-helixtrans-73.1-40.4176.6-65-171.2-139.900111.5A260 C261 P279 Q284 K285 I286 K354 W356A260-E282 WeakPolarHBondContact CA-OE2 3.49Å; A260-E282 WeakPolarHBondContact CB-OE2 3.21Å; C261-E282 PolarHBondContact N-OE2 2.98Å; P279-E282 HydrophobicContact CB-CB 4.47Å; P279-E282 HydrophobicContact CB-CG 4.46Å; P279-E282 PolarHBondContact O-N 3.04Å; P279-E282 VanDerWaalsContact O-N 3.08Å; E282-Q284 VanDerWaalsContact C-N 3.32Å; E282-Q284 PolarHBondContact O-N 3.16Å; E282-K285 WeakPolarHBondContact O-CB 3.28Å; E282-K285 PolarHBondContact O-N 2.97Å; E282-I286 WeakPolarHBondContact O-CG1 3.29Å; E282-I286 PolarHBondContact O-N 3.26Å; E282-K354 IonicContact OE1-NZ 3.2Å; E282-W356 HydrophobicContact CB-CH2 4.47Å; E282-W356 HydrophobicContact CB-CZ2 4.06Å
283I94.8Very high92.5Very high0 Ų032 Ų320%019%0.19CC..Hα-helixtrans-63.6-38.1175.3-66.8-74.4000111.7P279 K285 I286 N287 F345 M346 W356P279-I283 WeakPolarHBondContact O-CG1 3.17Å; P279-I283 PolarHBondContact O-N 3.26Å; I283-K285 VanDerWaalsContact C-N 3.35Å; I283-I286 PolarHBondContact O-N 2.56Å; I283-N287 VanDerWaalsContact CG2-ND2 3.27Å; I283-N287 WeakPolarHBondContact CG2-ND2 3.47Å; I283-N287 WeakPolarHBondContact O-CB 3.32Å; I283-N287 PolarHBondContact O-N 3.03Å; I283-N287 PolarHBondContact O-ND2 2.76Å; I283-F345 HydrophobicContact CD1-CB 4.01Å; I283-F345 HydrophobicContact CD1-CD1 4.06Å; I283-F345 HydrophobicContact CG2-CB 4.28Å; I283-M346 WeakPolarHBondContact CG1-O 3.49Å; I283-W356 HydrophobicContact CD1-CH2 3.9Å; I283-W356 HydrophobicContact CD1-CZ3 3.66Å; I283-W356 HydrophobicContact CG1-CH2 4.41Å
284Q94.4Very high92.8Very high88 Ų8839.1 Ų39.141%0.41122%0.216SC..Hα-helixtrans-61.8-43.1174.3-80.6175.418.500111.5T280 E282 N287 A288 Y300T280-Q284 HydrophobicContact CG2-CG 4.4Å; T280-Q284 WeakPolarHBondContact O-CB 3.17Å; T280-Q284 WeakPolarHBondContact O-CG 3.44Å; T280-Q284 PolarHBondContact O-N 3.27Å; E282-Q284 VanDerWaalsContact C-N 3.32Å; E282-Q284 PolarHBondContact O-N 3.16Å; Q284-N287 PolarHBondContact O-N 3.12Å; Q284-A288 WeakPolarHBondContact O-CB 3.23Å; Q284-A288 PolarHBondContact O-N 2.87Å; Q284-Y300 WeakPolarHBondContact CG-OH 3.25Å
285K94.9Very high92.7Very high116 Ų11642 Ų4250%0.50423%0.231SC..Hα-helixtrans-63.9-43.3176.3-68.4167.1-173167.20111.9M258 D281 E282 I283 A288 K289M258-K285 HydrophobicContact CE-CB 3.32Å; M258-K285 HydrophobicContact CE-CD 4.22Å; M258-K285 HydrophobicContact CE-CG 4.41Å; M258-K285 HydrophobicContact SD-CB 3.88Å; D281-K285 WeakPolarHBondContact O-CG 3.34Å; D281-K285 PolarHBondContact O-N 3.08Å; E282-K285 WeakPolarHBondContact O-CB 3.28Å; E282-K285 PolarHBondContact O-N 2.97Å; I283-K285 VanDerWaalsContact C-N 3.35Å; K285-A288 PolarHBondContact O-N 3.15Å; K285-K289 PolarHBondContact O-N 3.45Å
286I96Very high92Very high0 Ų045 Ų450%025%0.251CS..Hα-helixtrans-58.7-51.5175-69170000110L253 I255 M258 E282 I283 A288 K289 L290 F345 W356L253-I286 HydrophobicContact CD1-CD1 4.11Å; L253-I286 HydrophobicContact CD2-CD1 3.92Å; L253-I286 HydrophobicContact CD2-CG1 4.43Å; I255-I286 HydrophobicContact CD1-CG2 4.39Å; M258-I286 HydrophobicContact CE-CG1 3.89Å; E282-I286 WeakPolarHBondContact O-CG1 3.29Å; E282-I286 PolarHBondContact O-N 3.26Å; I283-I286 PolarHBondContact O-N 2.56Å; I286-A288 VanDerWaalsContact C-N 3.32Å; I286-A288 PolarHBondContact O-N 3.38Å; I286-K289 WeakPolarHBondContact O-CB 3.25Å; I286-K289 PolarHBondContact O-N 2.87Å; I286-L290 HydrophobicContact CG2-CD1 4.23Å; I286-L290 WeakPolarHBondContact O-CG 3.35Å; I286-L290 PolarHBondContact O-N 3.19Å; I286-F345 HydrophobicContact CD1-CD1 4.45Å; I286-F345 HydrophobicContact CG2-CD1 4.25Å; I286-F345 HydrophobicContact CG2-CD2 4.14Å; I286-F345 HydrophobicContact CG2-CE1 4.41Å; I286-F345 HydrophobicContact CG2-CE2 4.33Å; I286-F345 HydrophobicContact CG2-CG 4.11Å; I286-F345 HydrophobicContact CG2-CZ 4.47Å; I286-W356 HydrophobicContact CD1-CH2 3.64Å; I286-W356 HydrophobicContact CD1-CZ3 4.26Å
287N95.7Very high90.9Very high1 Ų146 Ų461%0.00526%0.262CS..Hα-helixtrans-63.7-36.6-179.6-81.3-63.6000112.9I283 Q284 K289 L290 G291 A292 Y300 T343I283-N287 VanDerWaalsContact CG2-ND2 3.27Å; I283-N287 WeakPolarHBondContact CG2-ND2 3.47Å; I283-N287 WeakPolarHBondContact O-CB 3.32Å; I283-N287 PolarHBondContact O-N 3.03Å; I283-N287 PolarHBondContact O-ND2 2.76Å; Q284-N287 PolarHBondContact O-N 3.12Å; N287-K289 VanDerWaalsContact C-N 3.33Å; N287-L290 PolarHBondContact O-N 3.05Å; N287-G291 PolarHBondContact O-N 3.48Å; N287-A292 HydrophobicContact CB-CB 4.15Å; N287-A292 WeakPolarHBondContact O-CB 3.39Å; N287-A292 PolarHBondContact O-N 3.37Å; N287-Y300 HydrophobicContact CB-CD1 3.57Å; N287-Y300 HydrophobicContact CB-CD2 4.41Å; N287-Y300 HydrophobicContact CB-CE1 3.84Å; N287-Y300 HydrophobicContact CB-CG 3.89Å; N287-Y300 VanDerWaalsContact CG-CG 3.43Å; N287-Y300 WeakPolarHBondContact ND2-CD2 3.18Å; N287-Y300 VanDerWaalsContact OD1-CB 3.29Å; N287-Y300 WeakPolarHBondContact OD1-CB 3.25Å; N287-T343 WeakPolarHBondContact OD1-CB 3.5Å; N287-T343 WeakPolarHBondContact OD1-CG2 3.13Å; N287-T343 PolarHBondContact OD1-OG1 3.19Å; N287-T343 VanDerWaalsContact OD1-OG1 3.05Å
288A94.8Very high90.1Very high74 Ų7446.3 Ų46.361%0.61227%0.265SS*.Hα-helixtrans-62.1-41.2172.200000111.5Q284 K285 I286 L290 G291Q284-A288 WeakPolarHBondContact O-CB 3.23Å; Q284-A288 PolarHBondContact O-N 2.87Å; K285-A288 PolarHBondContact O-N 3.15Å; I286-A288 VanDerWaalsContact C-N 3.32Å; I286-A288 PolarHBondContact O-N 3.38Å; A288-L290 VanDerWaalsContact C-N 3.28Å; A288-L290 PolarHBondContact O-N 2.77Å; A288-G291 PolarHBondContact O-N 3.29Å
289K94.7Very high89.5Confident83 Ų8346.7 Ų46.736%0.36127%0.267SS..Hα-helixtrans-64.3-32.1176.4-167.263.2171.2-172.60112.8I255 D257 K285 I286 N287 G291I255-K289 HydrophobicContact CD1-CB 4.14Å; I255-K289 HydrophobicContact CD1-CG 3.97Å; I255-K289 HydrophobicContact CG1-CG 4.18Å; D257-K289 WeakPolarHBondContact OD1-CE 3.18Å; D257-K289 IonicContact OD1-NZ 3Å; D257-K289 PolarHBondContact OD1-NZ 3.22Å; D257-K289 IonicContact OD2-NZ 2.61Å; D257-K289 PolarHBondContact OD2-NZ 3.19Å; K285-K289 PolarHBondContact O-N 3.45Å; I286-K289 WeakPolarHBondContact O-CB 3.25Å; I286-K289 PolarHBondContact O-N 2.87Å; N287-K289 VanDerWaalsContact C-N 3.33Å; K289-G291 PolarHBondContact O-N 3.45Å
290L95.2Very high89.4Confident4 Ų447.4 Ų47.42%0.02127%0.269CS..THydrogen-bonded Turntrans-77-5.4173.7-62.1177.5000113.5I255 I286 N287 A288 A292 V302 L310 P311 Y329 T343 F345I255-L290 HydrophobicContact CD1-CD2 3.81Å; I255-L290 HydrophobicContact CD1-CG 4.23Å; I286-L290 HydrophobicContact CG2-CD1 4.23Å; I286-L290 WeakPolarHBondContact O-CG 3.35Å; I286-L290 PolarHBondContact O-N 3.19Å; N287-L290 PolarHBondContact O-N 3.05Å; A288-L290 VanDerWaalsContact C-N 3.28Å; A288-L290 PolarHBondContact O-N 2.77Å; L290-A292 HydrophobicContact CB-CB 4.42Å; L290-A292 PolarHBondContact O-N 3.15Å; L290-V302 HydrophobicContact CB-CG1 4.49Å; L290-L310 HydrophobicContact CB-CD2 4.43Å; L290-L310 HydrophobicContact CD2-CD2 4.36Å; L290-L310 WeakPolarHBondContact O-CD2 3.37Å; L290-P311 HydrophobicContact CD2-CG 3.98Å; L290-Y329 HydrophobicContact CD1-CE2 4.12Å; L290-Y329 HydrophobicContact CD2-CE2 4.06Å; L290-T343 HydrophobicContact CD1-CG2 4.18Å; L290-F345 HydrophobicContact CD1-CD2 4.25Å; L290-F345 HydrophobicContact CD1-CE2 4.41Å
291G94.1Very high89.5Confident59 Ų5946.8 Ų46.861%0.60827%0.265SS*.THydrogen-bonded Turntrans65.627.8-172.300000112.9N287 A288 K289N287-G291 PolarHBondContact O-N 3.48Å; A288-G291 PolarHBondContact O-N 3.29Å; K289-G291 PolarHBondContact O-N 3.45Å
292A94.9Very high89.5Confident17 Ų1744.3 Ų44.314%0.1425%0.252CS..PPolyproline II helixtrans-81.3140.1-174.600000112.3N287 L290 Y300 T301 V302 T343N287-A292 HydrophobicContact CB-CB 4.15Å; N287-A292 WeakPolarHBondContact O-CB 3.39Å; N287-A292 PolarHBondContact O-N 3.37Å; L290-A292 HydrophobicContact CB-CB 4.42Å; L290-A292 PolarHBondContact O-N 3.15Å; A292-Y300 HydrophobicContact CB-CD1 4.46Å; A292-T301 CarbonylContact C-O 3.56Å; A292-T301 VanDerWaalsContact CA-O 3.22Å; A292-T301 WeakPolarHBondContact CA-O 3.17Å; A292-V302 HydrophobicContact CB-CG1 3.64Å; A292-T343 HydrophobicContact CB-CG2 3.8Å
293T91.7Very high89.3Confident92 Ų9247.2 Ų47.256%0.56428%0.275SS*.EExtended strand (participates in β ladder)trans-92.4129174.2-590000110.1Y300 T301T293-Y300 WeakPolarHBondContact O-CA 3.42Å; T293-T301 PolarHBondContact N-O 3.31Å; T293-T301 PolarHBondContact O-N 2.79Å; T293-T301 PolarHBondContact O-OG1 2.98Å
294R89.8Confident89.1Confident156 Ų15648.2 Ų48.259%0.58928%0.282SS*.EExtended strand (participates in β ladder)trans-75.6126.4177.1-167.6177.8-178.8-148.31110.8Y300R294-Y300 HydrophobicContact CB-CD1 3.76Å; R294-Y300 HydrophobicContact CB-CE1 3.5Å; R294-Y300 VanDerWaalsContact CB-CE1 3.5Å; R294-Y300 WeakPolarHBondContact CD-OH 3.29Å; R294-Y300 HydrophobicContact CG-CD1 4.11Å; R294-Y300 HydrophobicContact CG-CE1 3.63Å; R294-Y300 HydrophobicContact CG-CE2 4.29Å
295L80.7Confident88.9Confident60 Ų6047.3 Ų47.331%0.31430%0.296SS..PPolyproline II helixtrans-97.5162.4168.4-63.5-175.9000110.9G298 I299 T301L295-G298 PolarHBondContact O-N 2.81Å; L295-I299 HydrophobicContact CB-CB 4.3Å; L295-I299 PolarHBondContact N-O 2.92Å; L295-T301 HydrophobicContact CD1-CG2 3.41Å; L295-T301 VanDerWaalsContact CD1-CG2 3.41Å; L295-T301 HydrophobicContact CG-CG2 3.92Å
296P74Confident88.6Confident67 Ų6744.8 Ų44.844%0.43529%0.288SS..G310 helixtrans-51.4148.4168.9-28.738.7000112.3L37 G298L37-P296 HydrophobicContact CD2-CB 3.67Å; L37-P296 HydrophobicContact CD2-CG 3.59Å; P296-G298 PolarHBondContact O-N 3.4Å
297G69Low88.3Confident23 Ų2345.8 Ų45.824%0.23729%0.293CS..G310 helixtrans81.4-6.1-17200000114W44 R47 I299W44-G297 VanDerWaalsContact CZ3-O 3.28Å; W44-G297 WeakPolarHBondContact CZ3-O 3.4Å; R47-G297 PolarHBondContact NH1-O 3.45Å; G297-I299 VanDerWaalsContact C-N 3.34Å
298G75.5Confident88.1Confident6 Ų653 Ų536%0.06233%0.332CS..G310 helixtrans79.419.6179.800000113.6L295 P296 Y300L295-G298 PolarHBondContact O-N 2.81Å; P296-G298 PolarHBondContact O-N 3.4Å; G298-Y300 WeakPolarHBondContact O-CD2 3.43Å; G298-Y300 WeakPolarHBondContact O-CE2 3.42Å
299I79.7Confident88Confident9 Ų955.5 Ų55.55%0.04634%0.335CS..  trans-72.7145.9162.5-56.2155000108I31 W44 L295 G297 T301 L342I31-I299 HydrophobicContact CD1-CD1 3.6Å; I31-I299 HydrophobicContact CD1-CG1 4.44Å; I31-I299 HydrophobicContact CG1-CD1 3.98Å; W44-I299 HydrophobicContact CH2-CB 4.43Å; W44-I299 HydrophobicContact CH2-CD1 3.75Å; W44-I299 HydrophobicContact CH2-CG1 3.09Å; W44-I299 HydrophobicContact CZ2-CD1 3.36Å; W44-I299 HydrophobicContact CZ2-CG1 3.31Å; W44-I299 HydrophobicContact CZ3-CG1 3.75Å; L295-I299 HydrophobicContact CB-CB 4.3Å; L295-I299 PolarHBondContact N-O 2.92Å; G297-I299 VanDerWaalsContact C-N 3.34Å; I299-T301 HydrophobicContact CG2-CG2 4.4Å; I299-L342 HydrophobicContact CG2-CB 4.46Å; I299-L342 HydrophobicContact CG2-CD1 4.42Å; I299-L342 HydrophobicContact CG2-CD2 3.87Å; I299-L342 HydrophobicContact CG2-CG 4.48Å
300Y90.3Very high88.1Confident19 Ų1952.2 Ų52.28%0.07532%0.321CS..EExtended strand (participates in β ladder)trans-121.1149.3170.8-64.8-103000110.4Q284 N287 A292 T293 R294 G298 L342 T343Q284-Y300 WeakPolarHBondContact CG-OH 3.25Å; N287-Y300 HydrophobicContact CB-CD1 3.57Å; N287-Y300 HydrophobicContact CB-CD2 4.41Å; N287-Y300 HydrophobicContact CB-CE1 3.84Å; N287-Y300 HydrophobicContact CB-CG 3.89Å; N287-Y300 VanDerWaalsContact CG-CG 3.43Å; N287-Y300 WeakPolarHBondContact ND2-CD2 3.18Å; N287-Y300 VanDerWaalsContact OD1-CB 3.29Å; N287-Y300 WeakPolarHBondContact OD1-CB 3.25Å; A292-Y300 HydrophobicContact CB-CD1 4.46Å; T293-Y300 WeakPolarHBondContact O-CA 3.42Å; R294-Y300 HydrophobicContact CB-CD1 3.76Å; R294-Y300 HydrophobicContact CB-CE1 3.5Å; R294-Y300 VanDerWaalsContact CB-CE1 3.5Å; R294-Y300 WeakPolarHBondContact CD-OH 3.29Å; R294-Y300 HydrophobicContact CG-CD1 4.11Å; R294-Y300 HydrophobicContact CG-CE1 3.63Å; R294-Y300 HydrophobicContact CG-CE2 4.29Å; G298-Y300 WeakPolarHBondContact O-CD2 3.43Å; G298-Y300 WeakPolarHBondContact O-CE2 3.42Å; Y300-L342 WeakPolarHBondContact O-CA 3.06Å; Y300-T343 WeakPolarHBondContact CB-OG1 3.39Å; Y300-T343 PolarHBondContact O-N 3.47Å; Y300-T343 PolarHBondContact O-OG1 3.42Å
301T91.9Very high88.2Confident21 Ų2153.3 Ų53.313%0.12933%0.328CS..EExtended strand (participates in β ladder)trans-134.8146.9-175.661.10000112.1A292 T293 L295 I299 C341 L342A292-T301 CarbonylContact C-O 3.56Å; A292-T301 VanDerWaalsContact CA-O 3.22Å; A292-T301 WeakPolarHBondContact CA-O 3.17Å; T293-T301 PolarHBondContact N-O 3.31Å; T293-T301 PolarHBondContact O-N 2.79Å; T293-T301 PolarHBondContact O-OG1 2.98Å; L295-T301 HydrophobicContact CD1-CG2 3.41Å; L295-T301 VanDerWaalsContact CD1-CG2 3.41Å; L295-T301 HydrophobicContact CG-CG2 3.92Å; I299-T301 HydrophobicContact CG2-CG2 4.4Å; T301-C341 CarbonylContact C-O 3.42Å; T301-C341 VanDerWaalsContact CA-O 3.26Å; T301-C341 WeakPolarHBondContact CA-O 3.47Å; T301-L342 HydrophobicContact CG2-CD2 3.52Å
302V92.5Very high88.3Confident13 Ų1353.2 Ų53.28%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-125.8161.2172.2-65.70000109.4L290 A292 C304 L310 L330 C341 T343L290-V302 HydrophobicContact CB-CG1 4.49Å; A292-V302 HydrophobicContact CB-CG1 3.64Å; V302-C304 PolarHBondContact O-N 2.92Å; V302-L310 HydrophobicContact CG2-CD1 4.2Å; V302-L330 HydrophobicContact CG2-CD1 4.05Å; V302-L330 HydrophobicContact CG2-CD2 3.66Å; V302-C341 HydrophobicContact CG2-CB 3.85Å; V302-C341 PolarHBondContact N-O 3.43Å; V302-C341 PolarHBondContact O-N 3.38Å; V302-T343 HydrophobicContact CG1-CG2 4.14Å
303S90.8Very high88.5Confident83 Ų8352.4 Ų52.458%0.5831%0.31SS*.  trans-66.5126.7169.6176.60000110.1G305 N306S303-G305 PolarHBondContact O-N 3.45Å; S303-G305 PolarHBondContact OG-N 3.21Å; S303-N306 PolarHBondContact O-N 2.87Å
304C90.5Very high88.8Confident21 Ų2150 Ų5014%0.14229%0.293CS..G310 helixtrans-62.3-20.5175.2-69.70000113.5V302 N306 I307 C341V302-C304 PolarHBondContact O-N 2.92Å; C304-N306 PolarHBondContact O-N 3.33Å; C304-I307 WeakPolarHBondContact O-CD1 3.09Å; C304-I307 VanDerWaalsContact O-CG1 3.24Å; C304-I307 WeakPolarHBondContact O-CG1 3.46Å; C304-C341 WeakPolarHBondContact CA-SG 3.46Å; C304-C341 HydrophobicContact CB-CB 4.19Å; C304-C341 WeakPolarHBondContact CB-SG 3.48Å; C304-C341 VanDerWaalsContact SG-CA 3.54Å; C304-C341 WeakPolarHBondContact SG-CB 3.46Å; C304-C341 PolarHBondContact SG-N 2.68Å; C304-C341 CovalentContact SG-SG 2.05Å; C304-C341 PolarHBondContact SG-SG 3.06Å
305G90.2Very high89.2Confident69 Ų6942.6 Ų42.671%0.71127%0.265SS*.G310 helixtrans-72.1-17.5173.600000113.6S303S303-G305 PolarHBondContact O-N 3.45Å; S303-G305 PolarHBondContact OG-N 3.21Å
306N87.8Confident90Very high63 Ų6340.6 Ų40.634%0.33726%0.256SS..G310 helixtrans-94.83.3-174.5-159.640.7000113.9S303 C304 N308 N309S303-N306 PolarHBondContact O-N 2.87Å; C304-N306 PolarHBondContact O-N 3.33Å; N306-N308 PolarHBondContact O-N 2.54Å; N306-N308 VanDerWaalsContact O-N 3.15Å; N306-N309 PolarHBondContact O-N 2.85Å; N306-N309 WeakPolarHBondContact OD1-CB 3.15Å; N306-N309 PolarHBondContact OD1-ND2 2.55Å
307I91.1Very high91.2Very high21 Ų2137.4 Ų37.411%0.10824%0.235CC..G310 helixtrans-51.7-43.2-173.5-66.7174.2000112C304 N309 L310 P326 T327 L330C304-I307 WeakPolarHBondContact O-CD1 3.09Å; C304-I307 VanDerWaalsContact O-CG1 3.24Å; C304-I307 WeakPolarHBondContact O-CG1 3.46Å; I307-N309 PolarHBondContact O-N 2.8Å; I307-L310 PolarHBondContact O-N 3.37Å; I307-P326 HydrophobicContact CG2-CB 3.81Å; I307-P326 VanDerWaalsContact O-CB 3.26Å; I307-P326 WeakPolarHBondContact O-CB 3.23Å; I307-T327 HydrophobicContact CG2-CG2 4.01Å; I307-L330 HydrophobicContact CB-CD1 4.47Å; I307-L330 HydrophobicContact CD1-CD1 4.26Å; I307-L330 HydrophobicContact CG1-CD1 3.65Å; I307-L330 HydrophobicContact CG2-CD1 4.45Å
308N90.7Very high92.5Very high153 Ų15340.9 Ų40.982%0.81825%0.248SC*.G310 helixtrans-69.1-13.8-176.2-62.6-22.7000114.2N306N306-N308 PolarHBondContact O-N 2.54Å; N306-N308 VanDerWaalsContact O-N 3.15Å
309N93.3Very high93.5Very high126 Ų12643.8 Ų43.867%0.67428%0.278SS*.G310 helixtrans-102.8-3.8179.3-61.2-33.8000112.7N306 I307N306-N309 PolarHBondContact O-N 2.85Å; N306-N309 WeakPolarHBondContact OD1-CB 3.15Å; N306-N309 PolarHBondContact OD1-ND2 2.55Å; I307-N309 PolarHBondContact O-N 2.8Å
310L96Very high94.4Very high15 Ų1547.5 Ų47.58%0.07929%0.294CS..SBendtrans-79.7147.5179.1-62.8173.3000110.2L290 V302 I307 P326 Y329 L330L290-L310 HydrophobicContact CB-CD2 4.43Å; L290-L310 HydrophobicContact CD2-CD2 4.36Å; L290-L310 WeakPolarHBondContact O-CD2 3.37Å; V302-L310 HydrophobicContact CG2-CD1 4.2Å; I307-L310 PolarHBondContact O-N 3.37Å; L310-P326 HydrophobicContact CB-CB 4.05Å; L310-P326 HydrophobicContact CB-CG 3.95Å; L310-P326 WeakPolarHBondContact O-CG 3.13Å; L310-Y329 VanDerWaalsContact CB-OH 3.22Å; L310-Y329 WeakPolarHBondContact CB-OH 3.44Å; L310-Y329 HydrophobicContact CD1-CE2 4.42Å; L310-L330 HydrophobicContact CD1-CD1 3.67Å; L310-L330 HydrophobicContact CD1-CG 4.49Å
311P96.9Very high94.8Very high26 Ų2649 Ų4917%0.16931%0.311CS..PPolyproline II helixtrans-73.6158.2-178.132-37.4000111.9I255 S256 L290 Y329I255-P311 HydrophobicContact CD1-CG 3.73Å; I255-P311 HydrophobicContact CG1-CB 4.13Å; I255-P311 HydrophobicContact CG1-CG 3.58Å; S256-P311 VanDerWaalsContact OG-CB 3.27Å; S256-P311 WeakPolarHBondContact OG-CB 3.17Å; L290-P311 HydrophobicContact CD2-CG 3.98Å; P311-Y329 WeakPolarHBondContact O-CE1 3.34Å; P311-Y329 PolarHBondContact O-OH 2.83Å
312T97.4Very high95.1Very high58 Ų5848.3 Ų48.336%0.35631%0.306SS..PPolyproline II helixtrans-70.5157160.456.50000110.4T323 L324 E325T312-T323 HydrophobicContact CG2-CG2 4.06Å; T312-L324 WeakPolarHBondContact CA-O 3.35Å; T312-E325 VanDerWaalsContact CG2-OE2 3.25Å; T312-E325 WeakPolarHBondContact CG2-OE2 3.38Å
313I98.1Very high95.3Very high0 Ų050 Ų500%032%0.316CS..EExtended strand (participates in β ladder)trans-128.6121.8178.1-56.9175.5000108.3L253 T254 I255 F315 L324 Y329 F345L253-I313 HydrophobicContact CD1-CG2 4.26Å; L253-I313 HydrophobicContact CD2-CG2 3.77Å; L253-I313 HydrophobicContact CG-CG2 3.93Å; T254-I313 WeakPolarHBondContact O-CA 3.45Å; I255-I313 HydrophobicContact CB-CG1 4.18Å; I255-I313 HydrophobicContact CD1-CD1 3.9Å; I255-I313 HydrophobicContact CD1-CG1 3.87Å; I255-I313 HydrophobicContact CG1-CG1 3.95Å; I313-F315 HydrophobicContact CG2-CD2 4.36Å; I313-F315 HydrophobicContact CG2-CE2 3.79Å; I313-F315 HydrophobicContact CG2-CZ 4.44Å; I313-L324 PolarHBondContact N-O 2.99Å; I313-L324 PolarHBondContact O-N 3.48Å; I313-Y329 HydrophobicContact CD1-CD1 3.92Å; I313-Y329 HydrophobicContact CD1-CE1 3.77Å; I313-Y329 HydrophobicContact CD1-CG 4.35Å; I313-Y329 HydrophobicContact CG1-CD1 4.33Å; I313-Y329 HydrophobicContact CG1-CE1 3.95Å; I313-F345 HydrophobicContact CD1-CE1 4.45Å; I313-F345 HydrophobicContact CD1-CE2 3.47Å; I313-F345 VanDerWaalsContact CD1-CE2 3.47Å; I313-F345 HydrophobicContact CD1-CZ 3.36Å; I313-F345 HydrophobicContact CG2-CZ 4.43Å
314D98.1Very high95.7Very high41 Ų4146 Ų4622%0.21929%0.288CS..EExtended strand (participates in β ladder)trans-101126.4178.9-63.6-33.3000110.7L253 T254 A321 T323L253-D314 CarbonylContact C-O 3.51Å; L253-D314 WeakPolarHBondContact CA-O 3.44Å; T254-D314 PolarHBondContact N-O 3.01Å; T254-D314 PolarHBondContact O-N 3.21Å; T254-D314 WeakPolarHBondContact OG1-CB 3.14Å; D314-A321 HydrophobicContact CB-CB 4.36Å; D314-T323 WeakPolarHBondContact OD1-CA 3.39Å; D314-T323 WeakPolarHBondContact OD1-CB 3.43Å; D314-T323 WeakPolarHBondContact OD1-CG2 3.28Å; D314-T323 PolarHBondContact OD1-OG1 3.47Å
315F98.1Very high95.9Very high0 Ų049 Ų490%030%0.3CS..EExtended strand (participates in β ladder)trans-96.3111165.4-66.8-107.7000107.1M250 L253 I276 I313 M322 L324 F345 L358 F362M250-F315 HydrophobicContact SD-CB 4.28Å; M250-F315 HydrophobicContact SD-CD1 3.55Å; M250-F315 VanDerWaalsContact SD-CD1 3.55Å; M250-F315 HydrophobicContact SD-CE1 4.36Å; M250-F315 HydrophobicContact SD-CG 4.37Å; L253-F315 HydrophobicContact CD1-CD1 4.11Å; L253-F315 HydrophobicContact CD1-CE1 3.5Å; L253-F315 VanDerWaalsContact CD1-CE1 3.5Å; L253-F315 HydrophobicContact CD1-CE2 4.17Å; L253-F315 HydrophobicContact CD1-CZ 3.5Å; L253-F315 HydrophobicContact CG-CE1 4.44Å; L253-F315 HydrophobicContact CG-CZ 4.42Å; I276-F315 HydrophobicContact CD1-CE2 4.28Å; I276-F315 HydrophobicContact CD1-CZ 3.79Å; I276-F315 HydrophobicContact CG2-CE1 4.11Å; I276-F315 HydrophobicContact CG2-CZ 4.06Å; I313-F315 HydrophobicContact CG2-CD2 4.36Å; I313-F315 HydrophobicContact CG2-CE2 3.79Å; I313-F315 HydrophobicContact CG2-CZ 4.44Å; F315-M322 HydrophobicContact CB-CB 4.29Å; F315-M322 PolarHBondContact N-O 2.82Å; F315-M322 VanDerWaalsContact O-CB 3.31Å; F315-M322 WeakPolarHBondContact O-CB 3.38Å; F315-M322 PolarHBondContact O-N 2.91Å; F315-L324 HydrophobicContact CD2-CD1 4.27Å; F315-L324 HydrophobicContact CD2-CG 4.28Å; F315-L324 HydrophobicContact CE2-CD1 3.62Å; F315-L324 HydrophobicContact CE2-CG 4.08Å; F315-L324 HydrophobicContact CZ-CD1 4.39Å; F315-F345 HydrophobicContact CZ-CE1 4.06Å; F315-F345 HydrophobicContact CZ-CZ 4.47Å; F315-L358 HydrophobicContact CD1-CD2 3.78Å; F315-L358 HydrophobicContact CE1-CD2 3.59Å; F315-F362 HydrophobicContact CB-CE2 3.81Å; F315-F362 HydrophobicContact CD1-CD2 4.45Å; F315-F362 HydrophobicContact CD1-CE2 4.33Å; F315-F362 HydrophobicContact CD2-CD2 4.21Å; F315-F362 HydrophobicContact CD2-CE2 4.07Å; F315-F362 HydrophobicContact CG-CD2 4.19Å; F315-F362 AromaticContact CG-CE2 3.81Å; F315-F362 HydrophobicContact CG-CE2 3.81Å
316V98.2Very high96.2Very high19 Ų1946.4 Ų46.412%0.11527%0.271CS..EExtended strand (participates in β ladder)trans-90.2115.2179.5-172.40000108.4M250 D251 K252 K320M250-V316 WeakPolarHBondContact CG-O 3.43Å; D251-V316 HydrophobicContact CB-CB 4.18Å; D251-V316 HydrophobicContact CB-CG1 4.01Å; D251-V316 WeakPolarHBondContact CB-O 3.36Å; D251-V316 PolarHBondContact N-O 3.05Å; K252-V316 HydrophobicContact CG-CB 3.86Å; K252-V316 HydrophobicContact CG-CG2 3.81Å; K252-V316 PolarHBondContact O-N 2.81Å; V316-K320 WeakPolarHBondContact CA-O 3.12Å
317I98.4Very high96.4Very high0 Ų048.1 Ų48.10%028%0.284CS..EExtended strand (participates in β ladder)trans-129.1121.3-177.5-58.9170000108.2N236 V238 F248 M250 G319 K320 L358 F362 F379N236-I317 PolarHBondContact ND2-O 3.3Å; V238-I317 HydrophobicContact CB-CG2 3.94Å; V238-I317 HydrophobicContact CG1-CG2 3.78Å; V238-I317 HydrophobicContact CG2-CG2 4.28Å; F248-I317 HydrophobicContact CD2-CG2 4.19Å; F248-I317 HydrophobicContact CE2-CD1 3.86Å; F248-I317 HydrophobicContact CE2-CG1 4.24Å; F248-I317 HydrophobicContact CE2-CG2 4.1Å; F248-I317 HydrophobicContact CZ-CD1 4.35Å; M250-I317 HydrophobicContact CG-CG1 4.18Å; I317-G319 PolarHBondContact O-N 3.1Å; I317-K320 PolarHBondContact N-O 2.76Å; I317-K320 PolarHBondContact O-N 3.11Å; I317-K320 VanDerWaalsContact O-N 3.08Å; I317-L358 HydrophobicContact CD1-CD1 4.07Å; I317-F362 HydrophobicContact CD1-CE1 4.48Å; I317-F362 HydrophobicContact CD1-CZ 3.89Å; I317-F379 HydrophobicContact CD1-CD2 4.29Å; I317-F379 HydrophobicContact CD1-CE2 4.06Å; I317-F379 HydrophobicContact CG2-CD2 4.46Å; I317-F379 HydrophobicContact CG2-CE2 4.33Å
318N97.5Very high96.5Very high96 Ų9648.4 Ų48.451%0.51329%0.285SS..THydrogen-bonded Turntrans50.546.5-176.2-163.922.9000112.1Y237 V238 D251 K320Y237-N318 PolarHBondContact O-ND2 2.99Å; V238-N318 HydrophobicContact CB-CB 4.3Å; V238-N318 HydrophobicContact CG2-CB 4.45Å; D251-N318 PolarHBondContact OD2-N 3.29Å; N318-K320 PolarHBondContact O-N 3.29Å; N318-K320 VanDerWaalsContact O-N 3.14Å
319G97.1Very high96.7Very high67 Ų6741.1 Ų41.169%0.69125%0.246SC*.THydrogen-bonded Turntrans74-5.1179.800000115.9D251 I317D251-G319 PolarHBondContact OD2-N 2.77Å; I317-G319 PolarHBondContact O-N 3.1Å
320K97.9Very high96.6Very high86 Ų8635.8 Ų35.837%0.37422%0.218SC..EExtended strand (participates in β ladder)trans-101.1127.6179.7-166174.6-175.1173.50111E234 N236 V316 I317 N318 M322E234-K320 PolarHBondContact O-NZ 3.07Å; N236-K320 HydrophobicContact CB-CD 3.68Å; V316-K320 WeakPolarHBondContact CA-O 3.12Å; I317-K320 PolarHBondContact N-O 2.76Å; I317-K320 PolarHBondContact O-N 3.11Å; I317-K320 VanDerWaalsContact O-N 3.08Å; N318-K320 PolarHBondContact O-N 3.29Å; N318-K320 VanDerWaalsContact O-N 3.14Å; K320-M322 HydrophobicContact CD-CE 4.01Å; K320-M322 HydrophobicContact CG-CE 4.36Å; K320-M322 PolarHBondContact O-N 2.94Å
321A97.7Very high96.2Very high52 Ų5235.4 Ų35.443%0.4322%0.216SC..EExtended strand (participates in β ladder)trans-73.9123.6172.900000110.8D314D314-A321 HydrophobicContact CB-CB 4.36Å
322M98Very high95.7Very high6 Ų639.5 Ų39.53%0.0323%0.231CC..EExtended strand (participates in β ladder)trans-107.993173.7-60.4-71.5-177.700108.3N236 F315 K320 F362 F366 F379N236-M322 HydrophobicContact CB-CE 3.6Å; F315-M322 HydrophobicContact CB-CB 4.29Å; F315-M322 PolarHBondContact N-O 2.82Å; F315-M322 VanDerWaalsContact O-CB 3.31Å; F315-M322 WeakPolarHBondContact O-CB 3.38Å; F315-M322 PolarHBondContact O-N 2.91Å; K320-M322 HydrophobicContact CD-CE 4.01Å; K320-M322 HydrophobicContact CG-CE 4.36Å; K320-M322 PolarHBondContact O-N 2.94Å; M322-F362 HydrophobicContact CB-CE2 4.02Å; M322-F362 HydrophobicContact CB-CZ 3.94Å; M322-F362 HydrophobicContact CG-CZ 4.24Å; M322-F366 HydrophobicContact CB-CD2 4.42Å; M322-F366 HydrophobicContact CB-CE1 4Å; M322-F366 HydrophobicContact CB-CE2 3.78Å; M322-F366 HydrophobicContact CB-CZ 3.57Å; M322-F366 HydrophobicContact CG-CE1 4.48Å; M322-F366 HydrophobicContact CG-CZ 4.49Å; M322-F366 HydrophobicContact SD-CD1 3.82Å; M322-F366 HydrophobicContact SD-CE1 3.75Å; M322-F366 HydrophobicContact SD-CG 4.45Å; M322-F366 HydrophobicContact SD-CZ 4.33Å; M322-F379 HydrophobicContact CE-CB 3.64Å; M322-F379 HydrophobicContact SD-CB 4.3Å
323T97.9Very high94.9Very high47 Ų4737 Ų3729%0.28822%0.215SC..EExtended strand (participates in β ladder)trans-81.4127.9-172.8-50.60000112.9T312 D314 F366T312-T323 HydrophobicContact CG2-CG2 4.06Å; D314-T323 WeakPolarHBondContact OD1-CA 3.39Å; D314-T323 WeakPolarHBondContact OD1-CB 3.43Å; D314-T323 WeakPolarHBondContact OD1-CG2 3.28Å; D314-T323 PolarHBondContact OD1-OG1 3.47Å; T323-F366 WeakPolarHBondContact O-CZ 3.02Å
324L97.9Very high93.9Very high0 Ų039.9 Ų39.90%024%0.236CC..EExtended strand (participates in β ladder)trans-98.9126.7164-59.6-173.4000110.1I276 T312 I313 F315 D328 Y329 I361 K365 F366I276-L324 HydrophobicContact CD1-CD1 3.61Å; T312-L324 WeakPolarHBondContact CA-O 3.35Å; I313-L324 PolarHBondContact N-O 2.99Å; I313-L324 PolarHBondContact O-N 3.48Å; F315-L324 HydrophobicContact CD2-CD1 4.27Å; F315-L324 HydrophobicContact CD2-CG 4.28Å; F315-L324 HydrophobicContact CE2-CD1 3.62Å; F315-L324 HydrophobicContact CE2-CG 4.08Å; F315-L324 HydrophobicContact CZ-CD1 4.39Å; L324-D328 HydrophobicContact CB-CB 4.24Å; L324-D328 HydrophobicContact CD2-CB 4.17Å; L324-Y329 HydrophobicContact CB-CD1 4.02Å; L324-I361 HydrophobicContact CD1-CG2 4.26Å; L324-K365 HydrophobicContact CD2-CB 3.78Å; L324-K365 HydrophobicContact CD2-CG 3.77Å; L324-F366 HydrophobicContact CD2-CD2 4.46Å; L324-F366 HydrophobicContact CD2-CE2 3.65Å; L324-F366 HydrophobicContact CD2-CZ 4.39Å
325E96.3Very high92.6Very high84 Ų8441.7 Ų41.739%0.39324%0.242SC..PPolyproline II helixtrans-78.1159.5169.2-58.2-63.4158.300110.3T312 T327 D328 Y329T312-E325 VanDerWaalsContact CG2-OE2 3.25Å; T312-E325 WeakPolarHBondContact CG2-OE2 3.38Å; E325-T327 PolarHBondContact O-N 3.13Å; E325-T327 VanDerWaalsContact O-N 3.07Å; E325-D328 WeakPolarHBondContact CB-OD2 3.37Å; E325-D328 PolarHBondContact N-OD2 2.98Å; E325-D328 WeakPolarHBondContact O-CB 3.33Å; E325-D328 PolarHBondContact O-N 3.26Å; E325-Y329 WeakPolarHBondContact O-CD1 2.96Å; E325-Y329 WeakPolarHBondContact O-CE1 3.5Å; E325-Y329 PolarHBondContact O-N 2.83Å
326P95.5Very high91.4Very high14 Ų1448.3 Ų48.39%0.09127%0.274CS..Hα-helixtrans-48.8-36.3174-32.238.3000115.4I307 L310 D328 Y329 L330I307-P326 HydrophobicContact CG2-CB 3.81Å; I307-P326 VanDerWaalsContact O-CB 3.26Å; I307-P326 WeakPolarHBondContact O-CB 3.23Å; L310-P326 HydrophobicContact CB-CB 4.05Å; L310-P326 HydrophobicContact CB-CG 3.95Å; L310-P326 WeakPolarHBondContact O-CG 3.13Å; P326-D328 VanDerWaalsContact C-N 3.28Å; P326-D328 PolarHBondContact O-N 3.45Å; P326-Y329 VanDerWaalsContact CA-CE1 3.46Å; P326-Y329 VanDerWaalsContact CA-CZ 3.48Å; P326-Y329 HydrophobicContact CB-CE1 4.47Å; P326-Y329 HydrophobicContact CG-CE1 4.47Å; P326-L330 WeakPolarHBondContact O-CB 3.28Å; P326-L330 WeakPolarHBondContact O-CD1 3.14Å; P326-L330 WeakPolarHBondContact O-CG 3.34Å; P326-L330 PolarHBondContact O-N 2.86Å
327T92.4Very high90.3Very high100 Ų10050.9 Ų50.961%0.61331%0.305SS*.Hα-helixtrans-72.2-20.7177.9520000113.7I307 E325I307-T327 HydrophobicContact CG2-CG2 4.01Å; E325-T327 PolarHBondContact O-N 3.13Å; E325-T327 VanDerWaalsContact O-N 3.07Å
328D93.6Very high89.3Confident26 Ų2654.6 Ų54.614%0.13933%0.331CS..Hα-helixtrans-80.9-42.6-177.9-56.9-38000111L324 E325 P326 K365L324-D328 HydrophobicContact CB-CB 4.24Å; L324-D328 HydrophobicContact CD2-CB 4.17Å; E325-D328 WeakPolarHBondContact CB-OD2 3.37Å; E325-D328 PolarHBondContact N-OD2 2.98Å; E325-D328 WeakPolarHBondContact O-CB 3.33Å; E325-D328 PolarHBondContact O-N 3.26Å; P326-D328 VanDerWaalsContact C-N 3.28Å; P326-D328 PolarHBondContact O-N 3.45Å; D328-K365 VanDerWaalsContact CG-NZ 3.26Å; D328-K365 IonicContact OD1-NZ 3.09Å; D328-K365 PolarHBondContact OD1-NZ 3.06Å; D328-K365 VanDerWaalsContact OD1-NZ 3.09Å; D328-K365 WeakPolarHBondContact OD2-CE 3.27Å; D328-K365 IonicContact OD2-NZ 2.69Å; D328-K365 PolarHBondContact OD2-NZ 3Å
329Y94.4Very high88.8Confident0 Ų055.6 Ų55.60%033%0.332CS..Hα-helixtrans-93.14.1-176.364.7-109.6000114.6L290 L310 P311 I313 L324 E325 P326 G344 F345L290-Y329 HydrophobicContact CD1-CE2 4.12Å; L290-Y329 HydrophobicContact CD2-CE2 4.06Å; L310-Y329 VanDerWaalsContact CB-OH 3.22Å; L310-Y329 WeakPolarHBondContact CB-OH 3.44Å; L310-Y329 HydrophobicContact CD1-CE2 4.42Å; P311-Y329 WeakPolarHBondContact O-CE1 3.34Å; P311-Y329 PolarHBondContact O-OH 2.83Å; I313-Y329 HydrophobicContact CD1-CD1 3.92Å; I313-Y329 HydrophobicContact CD1-CE1 3.77Å; I313-Y329 HydrophobicContact CD1-CG 4.35Å; I313-Y329 HydrophobicContact CG1-CD1 4.33Å; I313-Y329 HydrophobicContact CG1-CE1 3.95Å; L324-Y329 HydrophobicContact CB-CD1 4.02Å; E325-Y329 WeakPolarHBondContact O-CD1 2.96Å; E325-Y329 WeakPolarHBondContact O-CE1 3.5Å; E325-Y329 PolarHBondContact O-N 2.83Å; P326-Y329 VanDerWaalsContact CA-CE1 3.46Å; P326-Y329 VanDerWaalsContact CA-CZ 3.48Å; P326-Y329 HydrophobicContact CB-CE1 4.47Å; P326-Y329 HydrophobicContact CG-CE1 4.47Å; Y329-G344 VanDerWaalsContact O-CA 3.25Å; Y329-G344 WeakPolarHBondContact O-CA 3.38Å; Y329-G344 PolarHBondContact O-N 3.17Å; Y329-F345 HydrophobicContact CD2-CE2 4.01Å; Y329-F345 AromaticContact CG-CE2 3.91Å; Y329-F345 HydrophobicContact CG-CE2 3.91Å
330L92.2Very high88.3Confident14 Ų1454.5 Ų54.57%0.07331%0.31CS..EExtended strand (participates in β ladder)trans-106.7142.3175.3-67.6-179.5000112.3V302 I307 L310 P326 C341 L342 T343V302-L330 HydrophobicContact CG2-CD1 4.05Å; V302-L330 HydrophobicContact CG2-CD2 3.66Å; I307-L330 HydrophobicContact CB-CD1 4.47Å; I307-L330 HydrophobicContact CD1-CD1 4.26Å; I307-L330 HydrophobicContact CG1-CD1 3.65Å; I307-L330 HydrophobicContact CG2-CD1 4.45Å; L310-L330 HydrophobicContact CD1-CD1 3.67Å; L310-L330 HydrophobicContact CD1-CG 4.49Å; P326-L330 WeakPolarHBondContact O-CB 3.28Å; P326-L330 WeakPolarHBondContact O-CD1 3.14Å; P326-L330 WeakPolarHBondContact O-CG 3.34Å; P326-L330 PolarHBondContact O-N 2.86Å; L330-C341 HydrophobicContact CD1-CB 4.48Å; L330-L342 WeakPolarHBondContact CA-O 3.03Å; L330-T343 HydrophobicContact CD2-CG2 4.31Å
331L87.1Confident87.9Confident7 Ų750.4 Ų50.44%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-114114175.3-48.2178.1000109.3M275 C341 L342 I361M275-L331 HydrophobicContact CE-CD1 3.86Å; L331-C341 CarbonylContact O-C 3.56Å; L331-C341 WeakPolarHBondContact O-CA 3.35Å; L331-L342 HydrophobicContact CB-CB 4.2Å; L331-L342 PolarHBondContact N-O 2.87Å; L331-L342 PolarHBondContact O-N 3.22Å; L331-I361 HydrophobicContact CD1-CD1 4.42Å; L331-I361 HydrophobicContact CD2-CD1 4.04Å; L331-I361 HydrophobicContact CD2-CG1 4.3Å; L331-I361 HydrophobicContact CG-CD1 4.36Å
332K85.3Confident87.6Confident112 Ų11247.9 Ų47.949%0.48727%0.272SS..EExtended strand (participates in β ladder)trans-76.4128.6171.8-65.5-171.1172.4-159.40110E339K332-E339 IonicContact NZ-OE2 3.74Å
333V80.9Confident87.4Confident5 Ų547.7 Ų47.73%0.0327%0.271CS..EExtended strand (participates in β ladder)trans-132143.3171.1-60.60000109.3R28 I31 E32 I340 L342R28-V333 HydrophobicContact CB-CG1 4.47Å; R28-V333 HydrophobicContact CG-CG1 4.04Å; I31-V333 HydrophobicContact CG2-CG2 4.2Å; E32-V333 HydrophobicContact CG-CB 4.49Å; V333-I340 HydrophobicContact CG2-CD1 3.8Å; V333-I340 HydrophobicContact CG2-CG1 3.33Å; V333-I340 PolarHBondContact N-O 3.49Å; V333-I340 PolarHBondContact O-N 2.79Å; V333-L342 HydrophobicContact CG1-CD1 4Å; V333-L342 HydrophobicContact CG1-CG 4.34Å; V333-L342 HydrophobicContact CG2-CD1 4.13Å; V333-L342 HydrophobicContact CG2-CD2 3.97Å; V333-L342 HydrophobicContact CG2-CG 3.89Å
334S78.4Confident87.1Confident61 Ų6145.4 Ų45.443%0.42726%0.257SS..EExtended strand (participates in β ladder)trans-96.1114.1179.5-1700000109.4E32E32-S334 WeakPolarHBondContact CG-O 3.14Å
335K70.9Confident86.8Confident80 Ų8045.5 Ų45.535%0.34826%0.257SS..EExtended strand (participates in β ladder)trans-116.2118177-173.7-179.6178.2-176.80108.9G337 S338 I340K335-G337 PolarHBondContact O-N 3.4Å; K335-S338 PolarHBondContact N-O 3.08Å; K335-S338 PolarHBondContact O-N 3.41Å; K335-S338 VanDerWaalsContact O-O 3.07Å; K335-I340 HydrophobicContact CB-CD1 4.19Å; K335-I340 HydrophobicContact CB-CG1 4.46Å; K335-I340 HydrophobicContact CD-CD1 4.23Å
336M71.7Confident86.5Confident139 Ų13941.9 Ų41.969%0.68524%0.24SC*.THydrogen-bonded Turntrans51.938.7-177.3-62.3178.6163.700113.6E34 S338E34-M336 HydrophobicContact CG-CE 4.23Å; E34-M336 WeakPolarHBondContact OE1-CE 3.35Å; E34-M336 VanDerWaalsContact OE2-CE 3.3Å; E34-M336 WeakPolarHBondContact OE2-CE 3.15Å; M336-S338 PolarHBondContact O-N 3.14Å
337G75.3Confident86.1Confident73 Ų7341.8 Ų41.875%0.75324%0.242SC*.THydrogen-bonded Turntrans73.60.3-177.300000115.1K335K335-G337 PolarHBondContact O-N 3.4Å
338S78.3Confident85.7Confident78 Ų7838.2 Ų38.255%0.54522%0.219SC..EExtended strand (participates in β ladder)trans-102.1133.2171.8-62.50000110.6K335 M336K335-S338 PolarHBondContact N-O 3.08Å; K335-S338 PolarHBondContact O-N 3.41Å; K335-S338 VanDerWaalsContact O-O 3.07Å; M336-S338 PolarHBondContact O-N 3.14Å
339E85.2Confident85.2Confident116 Ų11641.3 Ų41.354%0.54224%0.235SC..EExtended strand (participates in β ladder)trans-76.6125.9174.1-69.8-164.6131.800110.7K332K332-E339 IonicContact NZ-OE2 3.74Å
340I86.6Confident84.3Confident44 Ų4442.7 Ų42.723%0.22624%0.243CC..EExtended strand (participates in β ladder)trans-115.8147166.365174.7000109.5I31 V333 K335 L342I31-I340 HydrophobicContact CG2-CD1 4.48Å; V333-I340 HydrophobicContact CG2-CD1 3.8Å; V333-I340 HydrophobicContact CG2-CG1 3.33Å; V333-I340 PolarHBondContact N-O 3.49Å; V333-I340 PolarHBondContact O-N 2.79Å; K335-I340 HydrophobicContact CB-CD1 4.19Å; K335-I340 HydrophobicContact CB-CG1 4.46Å; K335-I340 HydrophobicContact CD-CD1 4.23Å; I340-L342 HydrophobicContact CD1-CD2 4.12Å; I340-L342 HydrophobicContact CG1-CD2 4.38Å
341C91Very high83.1Confident0 Ų046.5 Ų46.50%027%0.268CS..EExtended strand (participates in β ladder)trans-109.4110.1-178.2-77.90000108.9T301 V302 C304 L330 L331T301-C341 CarbonylContact C-O 3.42Å; T301-C341 VanDerWaalsContact CA-O 3.26Å; T301-C341 WeakPolarHBondContact CA-O 3.47Å; V302-C341 HydrophobicContact CG2-CB 3.85Å; V302-C341 PolarHBondContact N-O 3.43Å; V302-C341 PolarHBondContact O-N 3.38Å; C304-C341 WeakPolarHBondContact CA-SG 3.46Å; C304-C341 HydrophobicContact CB-CB 4.19Å; C304-C341 WeakPolarHBondContact CB-SG 3.48Å; C304-C341 VanDerWaalsContact SG-CA 3.54Å; C304-C341 WeakPolarHBondContact SG-CB 3.46Å; C304-C341 PolarHBondContact SG-N 2.68Å; C304-C341 CovalentContact SG-SG 2.05Å; C304-C341 PolarHBondContact SG-SG 3.06Å; L330-C341 HydrophobicContact CD1-CB 4.48Å; L331-C341 CarbonylContact O-C 3.56Å; L331-C341 WeakPolarHBondContact O-CA 3.35Å
342L90.8Very high82.3Confident0 Ų055.8 Ų55.80%031%0.308CS..EExtended strand (participates in β ladder)trans-78.3138.7173.1-43.8-178.8000108.8I31 I299 Y300 T301 L330 L331 V333 I340I31-L342 HydrophobicContact CD1-CD1 3.63Å; I299-L342 HydrophobicContact CG2-CB 4.46Å; I299-L342 HydrophobicContact CG2-CD1 4.42Å; I299-L342 HydrophobicContact CG2-CD2 3.87Å; I299-L342 HydrophobicContact CG2-CG 4.48Å; Y300-L342 WeakPolarHBondContact O-CA 3.06Å; T301-L342 HydrophobicContact CG2-CD2 3.52Å; L330-L342 WeakPolarHBondContact CA-O 3.03Å; L331-L342 HydrophobicContact CB-CB 4.2Å; L331-L342 PolarHBondContact N-O 2.87Å; L331-L342 PolarHBondContact O-N 3.22Å; V333-L342 HydrophobicContact CG1-CD1 4Å; V333-L342 HydrophobicContact CG1-CG 4.34Å; V333-L342 HydrophobicContact CG2-CD1 4.13Å; V333-L342 HydrophobicContact CG2-CD2 3.97Å; V333-L342 HydrophobicContact CG2-CG 3.89Å; I340-L342 HydrophobicContact CD1-CD2 4.12Å; I340-L342 HydrophobicContact CG1-CD2 4.38Å
343T93.3Very high81.7Confident1 Ų156.5 Ų56.51%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-73.4144.4168.466.40000109.9N287 L290 A292 Y300 V302 L330 F345N287-T343 WeakPolarHBondContact OD1-CB 3.5Å; N287-T343 WeakPolarHBondContact OD1-CG2 3.13Å; N287-T343 PolarHBondContact OD1-OG1 3.19Å; N287-T343 VanDerWaalsContact OD1-OG1 3.05Å; L290-T343 HydrophobicContact CD1-CG2 4.18Å; A292-T343 HydrophobicContact CB-CG2 3.8Å; Y300-T343 WeakPolarHBondContact CB-OG1 3.39Å; Y300-T343 PolarHBondContact O-N 3.47Å; Y300-T343 PolarHBondContact O-OG1 3.42Å; V302-T343 HydrophobicContact CG1-CG2 4.14Å; L330-T343 HydrophobicContact CD2-CG2 4.31Å; T343-F345 PolarHBondContact O-N 3.08Å; T343-F345 VanDerWaalsContact O-N 3.16Å
344G91.6Very high81.8Confident0 Ų061.9 Ų61.90%033%0.331CS..SBendtrans-74.47.217600000115.7M275 I276 Y329M275-G344 WeakPolarHBondContact CB-O 3.49Å; I276-G344 PolarHBondContact N-O 2.94Å; Y329-G344 VanDerWaalsContact O-CA 3.25Å; Y329-G344 WeakPolarHBondContact O-CA 3.38Å; Y329-G344 PolarHBondContact O-N 3.17Å
345F93Very high82.4Confident1 Ų159.7 Ų59.70%0.00432%0.315CS..EExtended strand (participates in β ladder)trans-110.1128.1-172.3-66.5-83.2000110.8I276 I283 I286 L290 I313 F315 Y329 T343I276-F345 HydrophobicContact CB-CD1 4.04Å; I276-F345 HydrophobicContact CB-CE1 4.15Å; I276-F345 HydrophobicContact CD1-CE1 4.02Å; I276-F345 HydrophobicContact CD1-CZ 4.18Å; I276-F345 HydrophobicContact CG2-CD1 3.93Å; I276-F345 HydrophobicContact CG2-CE1 3.93Å; I276-F345 CarbonylContact O-C 3.21Å; I276-F345 WeakPolarHBondContact O-CA 3.33Å; I283-F345 HydrophobicContact CD1-CB 4.01Å; I283-F345 HydrophobicContact CD1-CD1 4.06Å; I283-F345 HydrophobicContact CG2-CB 4.28Å; I286-F345 HydrophobicContact CD1-CD1 4.45Å; I286-F345 HydrophobicContact CG2-CD1 4.25Å; I286-F345 HydrophobicContact CG2-CD2 4.14Å; I286-F345 HydrophobicContact CG2-CE1 4.41Å; I286-F345 HydrophobicContact CG2-CE2 4.33Å; I286-F345 HydrophobicContact CG2-CG 4.11Å; I286-F345 HydrophobicContact CG2-CZ 4.47Å; L290-F345 HydrophobicContact CD1-CD2 4.25Å; L290-F345 HydrophobicContact CD1-CE2 4.41Å; I313-F345 HydrophobicContact CD1-CE1 4.45Å; I313-F345 HydrophobicContact CD1-CE2 3.47Å; I313-F345 VanDerWaalsContact CD1-CE2 3.47Å; I313-F345 HydrophobicContact CD1-CZ 3.36Å; I313-F345 HydrophobicContact CG2-CZ 4.43Å; F315-F345 HydrophobicContact CZ-CE1 4.06Å; F315-F345 HydrophobicContact CZ-CZ 4.47Å; Y329-F345 HydrophobicContact CD2-CE2 4.01Å; Y329-F345 AromaticContact CG-CE2 3.91Å; Y329-F345 HydrophobicContact CG-CE2 3.91Å; T343-F345 PolarHBondContact O-N 3.08Å; T343-F345 VanDerWaalsContact O-N 3.16Å
346M88.6Confident83.6Confident8 Ų856 Ų564%0.03930%0.298CS..EExtended strand (participates in β ladder)trans-130.1139.7177.964.5174.5-82.700112.6M275 I276 A277 G278 I283M275-M346 HydrophobicContact CB-CG 3.87Å; M275-M346 HydrophobicContact CB-SD 3.87Å; M275-M346 HydrophobicContact SD-CB 4.05Å; M275-M346 HydrophobicContact SD-CG 4.33Å; M275-M346 HydrophobicContact SD-SD 4.27Å; I276-M346 PolarHBondContact O-N 3.19Å; A277-M346 VanDerWaalsContact CA-O 3.25Å; A277-M346 WeakPolarHBondContact CA-O 3.41Å; A277-M346 HydrophobicContact CB-CE 4.47Å; A277-M346 HydrophobicContact CB-CG 3.65Å; A277-M346 HydrophobicContact CB-SD 4.3Å; G278-M346 PolarHBondContact N-O 3.38Å; G278-M346 VanDerWaalsContact N-O 3.12Å; I283-M346 WeakPolarHBondContact CG1-O 3.49Å
347G87.6Confident84.6Confident12 Ų1249.5 Ų49.512%0.12427%0.266CS..EExtended strand (participates in β ladder)trans-76.7129.6174.600000110.2
348L84.1Confident85.6Confident25 Ų2546 Ų4613%0.13123%0.23CC..  trans-145109.8173-179.865.9000108.8V48 A277 G278 L350 I357V48-L348 HydrophobicContact CG2-CD1 4.35Å; A277-L348 HydrophobicContact CB-CB 4.02Å; A277-L348 HydrophobicContact CB-CD2 4.26Å; G278-L348 PolarHBondContact O-N 3.12Å; L348-L350 HydrophobicContact CD1-CD2 4.24Å; L348-L350 HydrophobicContact CD2-CD2 3.98Å; L348-L350 HydrophobicContact CG-CD2 3.86Å; L348-L350 HydrophobicContact CG-CG 4.39Å; L348-I357 HydrophobicContact CD2-CD1 3.69Å
349D83.5Confident86.3Confident91 Ų9142.3 Ų42.349%0.48720%0.204SC..PPolyproline II helixtrans-94.3117.6175.6-60.4-50.9000109.4T280T280-D349 WeakPolarHBondContact CB-OD2 3.16Å; T280-D349 PolarHBondContact N-OD1 2.84Å; T280-D349 PolarHBondContact OG1-OD1 2.65Å; T280-D349 PolarHBondContact OG1-OD2 3.45Å
350L74.6Confident86.5Confident30 Ų3036.8 Ų36.816%0.15718%0.179CC..BIsolated β-bridgetrans-95.7142176.7-60.4-176.8000110.9L58 L348 K352 L355L58-L350 HydrophobicContact CD1-CD1 4.15Å; L58-L350 HydrophobicContact CD2-CD1 3.46Å; L58-L350 VanDerWaalsContact CD2-CD1 3.46Å; L58-L350 HydrophobicContact CD2-CD2 3.41Å; L58-L350 VanDerWaalsContact CD2-CD2 3.41Å; L58-L350 HydrophobicContact CD2-CG 4.03Å; L58-L350 HydrophobicContact CG-CD1 4.42Å; L348-L350 HydrophobicContact CD1-CD2 4.24Å; L348-L350 HydrophobicContact CD2-CD2 3.98Å; L348-L350 HydrophobicContact CG-CD2 3.86Å; L348-L350 HydrophobicContact CG-CG 4.39Å; L350-K352 PolarHBondContact O-N 3.29Å; L350-L355 HydrophobicContact CD1-CB 3.75Å; L350-L355 HydrophobicContact CD1-CD2 3.55Å; L350-L355 HydrophobicContact CD1-CG 4.23Å
351P67.9Low86.8Confident93 Ų9334.7 Ų34.760%0.60417%0.168SC*.THydrogen-bonded Turntrans-56.2130.8172.5-20.230.4000110.3V48 R353V48-P351 HydrophobicContact CG1-CG 4.48Å; P351-R353 VanDerWaalsContact C-N 3.26Å; P351-R353 PolarHBondContact O-N 3.18Å; P351-R353 VanDerWaalsContact O-N 3.08Å
352K69.1Low87.1Confident202 Ų20234.7 Ų34.788%0.87817%0.168SC*.THydrogen-bonded Turntrans71-11.8169-50.3175.9179.7175.90117.7L350L350-K352 PolarHBondContact O-N 3.29Å
353R74.2Confident87.4Confident127 Ų12734.7 Ų34.748%0.47917%0.168SC..BIsolated β-bridgetrans-141.6131.5178.7-66.8-174.5177.9-176.4-2.5111.5E242 P351 L355E242-R353 IonicContact OE1-NH1 3.12Å; E242-R353 PolarHBondContact OE1-NH1 3.21Å; E242-R353 IonicContact OE2-CZ 2.68Å; E242-R353 IonicContact OE2-NH1 2.69Å; E242-R353 PolarHBondContact OE2-NH1 3.3Å; E242-R353 IonicContact OE2-NH2 2.79Å; E242-R353 PolarHBondContact OE2-NH2 3.08Å; P351-R353 VanDerWaalsContact C-N 3.26Å; P351-R353 PolarHBondContact O-N 3.18Å; P351-R353 VanDerWaalsContact O-N 3.08Å; R353-L355 PolarHBondContact O-N 3.35Å
354K82.6Confident87.4Confident118 Ų11834.7 Ų34.751%0.51317%0.168SC..  trans-74.8110.5163.4-73.8-169.4168.6-158.40107.8P279 D281 E282P279-K354 HydrophobicContact CG-CB 3.96Å; P279-K354 HydrophobicContact CG-CD 4.17Å; P279-K354 HydrophobicContact CG-CG 4.05Å; D281-K354 IonicContact OD2-NZ 2.52Å; E282-K354 IonicContact OE1-NZ 3.2Å
355L91.2Very high87.6Confident16 Ų1636.7 Ų36.78%0.08418%0.177CC..EExtended strand (participates in β ladder)trans-124.9141.5-177.4-174.466.2000110.1L58 L247 L266 I268 L350 R353L58-L355 HydrophobicContact CD1-CD2 4.05Å; L247-L355 HydrophobicContact CD1-CD1 3.33Å; L266-L355 HydrophobicContact CB-CD1 3.76Å; I268-L355 HydrophobicContact CD1-CD2 4.29Å; I268-L355 HydrophobicContact CG1-CD2 4.39Å; I268-L355 HydrophobicContact CG2-CD1 4.22Å; I268-L355 HydrophobicContact CG2-CD2 4.23Å; L350-L355 HydrophobicContact CD1-CB 3.75Å; L350-L355 HydrophobicContact CD1-CD2 3.55Å; L350-L355 HydrophobicContact CD1-CG 4.23Å; R353-L355 PolarHBondContact O-N 3.35Å
356W94.8Very high87.8Confident1 Ų137.2 Ų37.20%0.00418%0.179CC..EExtended strand (participates in β ladder)trans-101.1142.9166-71.381000110.9M250 L253 A260 L266 A267 I268 I276 A277 E282 I283 I286M250-W356 HydrophobicContact CE-CB 4.23Å; M250-W356 HydrophobicContact CE-CD2 4.04Å; M250-W356 HydrophobicContact CE-CG 3.77Å; L253-W356 HydrophobicContact CD1-CH2 4.04Å; L253-W356 HydrophobicContact CD1-CZ3 3.99Å; A260-W356 HydrophobicContact CB-CZ2 4.34Å; L266-W356 PolarHBondContact O-N 3.27Å; A267-W356 CarbonylContact C-O 3.33Å; A267-W356 WeakPolarHBondContact CA-O 3.39Å; A267-W356 HydrophobicContact CB-CB 4.04Å; I268-W356 PolarHBondContact N-O 3.26Å; I276-W356 HydrophobicContact CG2-CE3 3.98Å; I276-W356 HydrophobicContact CG2-CZ3 4.09Å; A277-W356 CarbonylContact O-C 3.53Å; A277-W356 VanDerWaalsContact O-CA 3.28Å; A277-W356 WeakPolarHBondContact O-CA 3.26Å; E282-W356 HydrophobicContact CB-CH2 4.47Å; E282-W356 HydrophobicContact CB-CZ2 4.06Å; I283-W356 HydrophobicContact CD1-CH2 3.9Å; I283-W356 HydrophobicContact CD1-CZ3 3.66Å; I283-W356 HydrophobicContact CG1-CH2 4.41Å; I286-W356 HydrophobicContact CD1-CH2 3.64Å; I286-W356 HydrophobicContact CD1-CZ3 4.26Å
357I93.9Very high88.3Confident3 Ų337 Ų372%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-113.7116172.1-53.5-173.4000107.1I268 D270 T273 I276 A277 L348 G359I268-I357 HydrophobicContact CD1-CB 4.38Å; I268-I357 HydrophobicContact CD1-CD1 4.11Å; I268-I357 HydrophobicContact CD1-CG1 3.82Å; I268-I357 HydrophobicContact CD1-CG2 4.08Å; I268-I357 HydrophobicContact CG1-CB 4.08Å; I268-I357 HydrophobicContact CG1-CG1 3.84Å; I268-I357 HydrophobicContact CG1-CG2 3.97Å; D270-I357 HydrophobicContact CB-CG2 3.53Å; D270-I357 WeakPolarHBondContact OD2-CG2 3.41Å; T273-I357 HydrophobicContact CG2-CG2 4.04Å; I276-I357 CarbonylContact C-O 3.57Å; I276-I357 VanDerWaalsContact CA-O 3.27Å; I276-I357 WeakPolarHBondContact CA-O 3.41Å; A277-I357 HydrophobicContact CB-CB 3.9Å; A277-I357 HydrophobicContact CB-CD1 4.24Å; A277-I357 HydrophobicContact CB-CG1 4.12Å; A277-I357 PolarHBondContact N-O 2.62Å; A277-I357 PolarHBondContact O-N 3.43Å; L348-I357 HydrophobicContact CD2-CD1 3.69Å; I357-G359 PolarHBondContact O-N 3Å
358L96.1Very high88.8Confident0 Ų036.4 Ų36.40%017%0.172CC..EExtended strand (participates in β ladder)trans-93.291.3173.7-54.4-166.8000108.4F248 A267 I268 D270 I276 F315 I317 F362F248-L358 HydrophobicContact CE2-CD1 4.44Å; F248-L358 HydrophobicContact CZ-CD1 3.84Å; A267-L358 HydrophobicContact CB-CG 4.39Å; I268-L358 PolarHBondContact O-N 3.29Å; D270-L358 PolarHBondContact N-O 3.12Å; I276-L358 HydrophobicContact CG2-CD2 4.35Å; F315-L358 HydrophobicContact CD1-CD2 3.78Å; F315-L358 HydrophobicContact CE1-CD2 3.59Å; I317-L358 HydrophobicContact CD1-CD1 4.07Å; L358-F362 HydrophobicContact CB-CB 3.95Å; L358-F362 HydrophobicContact CB-CD1 3.97Å; L358-F362 HydrophobicContact CB-CG 3.96Å; L358-F362 HydrophobicContact CD1-CD1 3.83Å; L358-F362 HydrophobicContact CD1-CD2 4.15Å; L358-F362 HydrophobicContact CD1-CE1 3.8Å; L358-F362 HydrophobicContact CD1-CE2 4.14Å; L358-F362 HydrophobicContact CD1-CG 4Å; L358-F362 HydrophobicContact CD1-CZ 3.97Å; L358-F362 HydrophobicContact CG-CG 4.43Å
359G92.7Very high89.5Confident0 Ų035.2 Ų35.20%017%0.165CC..  trans-80-163.7-179.500000114.9D270 T273 M275 I357 I361 F362 I363D270-G359 WeakPolarHBondContact O-CA 3.48Å; T273-G359 CarbonylContact O-C 3.54Å; T273-G359 WeakPolarHBondContact O-CA 3.48Å; M275-G359 PolarHBondContact O-N 3.39Å; I357-G359 PolarHBondContact O-N 3Å; G359-I361 PolarHBondContact O-N 3.36Å; G359-F362 WeakPolarHBondContact O-CB 3.33Å; G359-F362 PolarHBondContact O-N 2.89Å; G359-I363 PolarHBondContact O-N 3.44Å
360D89.8Confident90.2Very high0 Ų030.9 Ų30.90%014%0.142CC..Hα-helixtrans-55-25.1-179.8-63.2-27.3000114.5Y66 L209 R211 T273 S274 F362 G364Y66-D360 HydrophobicContact CE2-CB 4.08Å; L209-D360 HydrophobicContact CD1-CB 4.25Å; L209-D360 WeakPolarHBondContact CD1-OD1 3.37Å; R211-D360 PolarHBondContact NH1-O 3.29Å; T273-D360 PolarHBondContact O-N 2.96Å; S274-D360 PolarHBondContact O-N 2.89Å; D360-F362 VanDerWaalsContact C-N 3.34Å; D360-G364 WeakPolarHBondContact O-CA 3.2Å; D360-G364 PolarHBondContact O-N 3.22Å
361I92.2Very high91.4Very high1 Ų129.9 Ų29.91%0.00514%0.137CC..Hα-helixtrans-62.6-45173.3-75.8176.8000110.6S274 M275 I276 L324 L331 G359S274-I361 WeakPolarHBondContact O-CG1 3.22Å; S274-I361 PolarHBondContact O-N 3.07Å; M275-I361 HydrophobicContact CG-CD1 4.44Å; I276-I361 HydrophobicContact CD1-CB 4.27Å; I276-I361 HydrophobicContact CD1-CG2 3.63Å; I276-I361 HydrophobicContact CG1-CB 4.32Å; I276-I361 HydrophobicContact CG1-CG2 4.22Å; L324-I361 HydrophobicContact CD1-CG2 4.26Å; L331-I361 HydrophobicContact CD1-CD1 4.42Å; L331-I361 HydrophobicContact CD2-CD1 4.04Å; L331-I361 HydrophobicContact CD2-CG1 4.3Å; L331-I361 HydrophobicContact CG-CD1 4.36Å; G359-I361 PolarHBondContact O-N 3.36Å
362F97.1Very high92.8Very high0 Ų026.5 Ų26.50%011%0.114CC..Hα-helixtrans-76.3-49.6178-172.7-90.2000110.8F315 I317 M322 L358 G359 D360 G364 K365 F366 F379F315-F362 HydrophobicContact CB-CE2 3.81Å; F315-F362 HydrophobicContact CD1-CD2 4.45Å; F315-F362 HydrophobicContact CD1-CE2 4.33Å; F315-F362 HydrophobicContact CD2-CD2 4.21Å; F315-F362 HydrophobicContact CD2-CE2 4.07Å; F315-F362 HydrophobicContact CG-CD2 4.19Å; F315-F362 AromaticContact CG-CE2 3.81Å; F315-F362 HydrophobicContact CG-CE2 3.81Å; I317-F362 HydrophobicContact CD1-CE1 4.48Å; I317-F362 HydrophobicContact CD1-CZ 3.89Å; M322-F362 HydrophobicContact CB-CE2 4.02Å; M322-F362 HydrophobicContact CB-CZ 3.94Å; M322-F362 HydrophobicContact CG-CZ 4.24Å; L358-F362 HydrophobicContact CB-CB 3.95Å; L358-F362 HydrophobicContact CB-CD1 3.97Å; L358-F362 HydrophobicContact CB-CG 3.96Å; L358-F362 HydrophobicContact CD1-CD1 3.83Å; L358-F362 HydrophobicContact CD1-CD2 4.15Å; L358-F362 HydrophobicContact CD1-CE1 3.8Å; L358-F362 HydrophobicContact CD1-CE2 4.14Å; L358-F362 HydrophobicContact CD1-CG 4Å; L358-F362 HydrophobicContact CD1-CZ 3.97Å; L358-F362 HydrophobicContact CG-CG 4.43Å; G359-F362 WeakPolarHBondContact O-CB 3.33Å; G359-F362 PolarHBondContact O-N 2.89Å; D360-F362 VanDerWaalsContact C-N 3.34Å; F362-G364 VanDerWaalsContact C-N 3.26Å; F362-G364 PolarHBondContact O-N 2.79Å; F362-K365 PolarHBondContact O-N 3.08Å; F362-F366 HydrophobicContact CD1-CD2 4.03Å; F362-F366 AromaticContact CD2-CD2 3.9Å; F362-F366 HydrophobicContact CD2-CD2 3.9Å; F362-F366 HydrophobicContact CD2-CE2 4.01Å; F362-F366 HydrophobicContact CE1-CB 4.26Å; F362-F366 AromaticContact CE1-CD2 3.73Å; F362-F366 HydrophobicContact CE1-CD2 3.73Å; F362-F366 HydrophobicContact CE1-CG 4.29Å; F362-F366 AromaticContact CE2-CD2 3.58Å; F362-F366 HydrophobicContact CE2-CD2 3.58Å; F362-F366 AromaticContact CE2-CE2 3.59Å; F362-F366 HydrophobicContact CE2-CE2 3.59Å; F362-F366 HydrophobicContact CG-CD2 4.11Å; F362-F366 AromaticContact CZ-CD2 3.49Å; F362-F366 HydrophobicContact CZ-CD2 3.49Å; F362-F366 VanDerWaalsContact CZ-CD2 3.49Å; F362-F366 AromaticContact CZ-CE2 3.89Å; F362-F366 HydrophobicContact CZ-CE2 3.89Å; F362-F366 HydrophobicContact CZ-CG 4.24Å; F362-F366 WeakPolarHBondContact O-CD2 2.95Å; F362-F366 PolarHBondContact O-N 3.21Å; F362-F379 HydrophobicContact CD1-CE1 4.32Å; F362-F379 AromaticContact CE1-CD1 3.71Å; F362-F379 HydrophobicContact CE1-CD1 3.71Å; F362-F379 AromaticContact CE1-CE1 3.71Å; F362-F379 HydrophobicContact CE1-CE1 3.71Å; F362-F379 HydrophobicContact CE1-CG 4.26Å; F362-F379 HydrophobicContact CE1-CZ 4.28Å
363I96.5Very high94.2Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-64.2-31.2-177.8-60.8172.5000111.6F207 L209 T271 G359 K365 F366F207-I363 HydrophobicContact CB-CG2 4.24Å; L209-I363 HydrophobicContact CD1-CB 4.03Å; L209-I363 HydrophobicContact CD1-CG2 3.58Å; L209-I363 HydrophobicContact CG-CG2 3.99Å; T271-I363 HydrophobicContact CG2-CD1 3.79Å; G359-I363 PolarHBondContact O-N 3.44Å; I363-K365 VanDerWaalsContact C-N 3.29Å; I363-K365 PolarHBondContact O-N 3.12Å; I363-F366 CarbonylContact C-O 3.57Å; I363-F366 CarbonylContact O-C 3.6Å; I363-F366 PolarHBondContact O-N 2.86Å
364G93.5Very high95.4Very high0 Ų019.4 Ų19.40%010%0.099CC..THydrogen-bonded Turntrans-72.5-19.2174.400000114.3L209 D360 F362 H384L209-G364 WeakPolarHBondContact O-CA 3.18Å; D360-G364 WeakPolarHBondContact O-CA 3.2Å; D360-G364 PolarHBondContact O-N 3.22Å; F362-G364 VanDerWaalsContact C-N 3.26Å; F362-G364 PolarHBondContact O-N 2.79Å; G364-H384 PolarHBondContact O-CE1 2.63Å; G364-H384 PolarHBondContact O-NE2 3.19Å
365K96.1Very high96.1Very high42 Ų4216 Ų1618%0.1839%0.087CC..THydrogen-bonded Turntrans-89.5-32.6171-177.261168.4-144.80112L324 D328 F362 I363 A382L324-K365 HydrophobicContact CD2-CB 3.78Å; L324-K365 HydrophobicContact CD2-CG 3.77Å; D328-K365 VanDerWaalsContact CG-NZ 3.26Å; D328-K365 IonicContact OD1-NZ 3.09Å; D328-K365 PolarHBondContact OD1-NZ 3.06Å; D328-K365 VanDerWaalsContact OD1-NZ 3.09Å; D328-K365 WeakPolarHBondContact OD2-CE 3.27Å; D328-K365 IonicContact OD2-NZ 2.69Å; D328-K365 PolarHBondContact OD2-NZ 3Å; F362-K365 PolarHBondContact O-N 3.08Å; I363-K365 VanDerWaalsContact C-N 3.29Å; I363-K365 PolarHBondContact O-N 3.12Å; K365-A382 VanDerWaalsContact O-CB 3.31Å; K365-A382 WeakPolarHBondContact O-CB 3.24Å; K365-A382 PolarHBondContact O-N 3.29Å
366F98.2Very high96.5Very high12 Ų1217.5 Ų17.55%0.0539%0.091CC..EExtended strand (participates in β ladder)trans-120.6113.5-175.6-58-72.7000111M322 T323 L324 F362 I363 T368 F379 A380M322-F366 HydrophobicContact CB-CD2 4.42Å; M322-F366 HydrophobicContact CB-CE1 4Å; M322-F366 HydrophobicContact CB-CE2 3.78Å; M322-F366 HydrophobicContact CB-CZ 3.57Å; M322-F366 HydrophobicContact CG-CE1 4.48Å; M322-F366 HydrophobicContact CG-CZ 4.49Å; M322-F366 HydrophobicContact SD-CD1 3.82Å; M322-F366 HydrophobicContact SD-CE1 3.75Å; M322-F366 HydrophobicContact SD-CG 4.45Å; M322-F366 HydrophobicContact SD-CZ 4.33Å; T323-F366 WeakPolarHBondContact O-CZ 3.02Å; L324-F366 HydrophobicContact CD2-CD2 4.46Å; L324-F366 HydrophobicContact CD2-CE2 3.65Å; L324-F366 HydrophobicContact CD2-CZ 4.39Å; F362-F366 HydrophobicContact CD1-CD2 4.03Å; F362-F366 AromaticContact CD2-CD2 3.9Å; F362-F366 HydrophobicContact CD2-CD2 3.9Å; F362-F366 HydrophobicContact CD2-CE2 4.01Å; F362-F366 HydrophobicContact CE1-CB 4.26Å; F362-F366 AromaticContact CE1-CD2 3.73Å; F362-F366 HydrophobicContact CE1-CD2 3.73Å; F362-F366 HydrophobicContact CE1-CG 4.29Å; F362-F366 AromaticContact CE2-CD2 3.58Å; F362-F366 HydrophobicContact CE2-CD2 3.58Å; F362-F366 AromaticContact CE2-CE2 3.59Å; F362-F366 HydrophobicContact CE2-CE2 3.59Å; F362-F366 HydrophobicContact CG-CD2 4.11Å; F362-F366 AromaticContact CZ-CD2 3.49Å; F362-F366 HydrophobicContact CZ-CD2 3.49Å; F362-F366 VanDerWaalsContact CZ-CD2 3.49Å; F362-F366 AromaticContact CZ-CE2 3.89Å; F362-F366 HydrophobicContact CZ-CE2 3.89Å; F362-F366 HydrophobicContact CZ-CG 4.24Å; F362-F366 WeakPolarHBondContact O-CD2 2.95Å; F362-F366 PolarHBondContact O-N 3.21Å; I363-F366 CarbonylContact C-O 3.57Å; I363-F366 CarbonylContact O-C 3.6Å; I363-F366 PolarHBondContact O-N 2.86Å; F366-T368 PolarHBondContact O-N 2.81Å; F366-T368 VanDerWaalsContact O-N 3.17Å; F366-T368 PolarHBondContact O-OG1 2.86Å; F366-F379 HydrophobicContact CB-CB 4.43Å; F366-A380 CarbonylContact C-O 3.52Å; F366-A380 WeakPolarHBondContact CA-O 3.37Å
367Y98.2Very high96.7Very high3 Ų317.5 Ų17.51%0.0129%0.091CC..EExtended strand (participates in β ladder)trans-51.9125.2168.6-175.3-89.4000108.9S206 F207 I226 D227 Y230 Y231 V369 F379 A380S206-Y367 WeakPolarHBondContact CB-OH 3.47Å; S206-Y367 PolarHBondContact OG-OH 2.91Å; F207-Y367 WeakPolarHBondContact O-CD2 3.36Å; I226-Y367 HydrophobicContact CG2-CE1 3.85Å; D227-Y367 PolarHBondContact N-OH 2.6Å; Y230-Y367 HydrophobicContact CD2-CE2 4.47Å; Y231-Y367 HydrophobicContact CD1-CD1 4.01Å; Y231-Y367 HydrophobicContact CD1-CE1 4.17Å; Y231-Y367 HydrophobicContact CD1-CG 4.33Å; Y231-Y367 HydrophobicContact CG-CD1 4.34Å; Y231-Y367 HydrophobicContact CG-CG 4.48Å; Y367-V369 HydrophobicContact CD1-CG2 4.01Å; Y367-V369 HydrophobicContact CE1-CG2 3.63Å; Y367-F379 WeakPolarHBondContact O-CA 3.43Å; Y367-A380 PolarHBondContact N-O 3.25Å; Y367-A380 PolarHBondContact O-N 2.94Å
368T98.8Very high96.9Very high0 Ų017.3 Ų17.30%09%0.09CC..EExtended strand (participates in β ladder)trans-117.8127-168.7-590000110.1S206 F207 A269 F366 F370 V377 G378 F379S206-T368 CarbonylContact C-O 3.59Å; S206-T368 WeakPolarHBondContact CA-O 3.37Å; S206-T368 WeakPolarHBondContact CB-O 3.34Å; F207-T368 PolarHBondContact N-O 3.37Å; F207-T368 PolarHBondContact O-N 2.82Å; F207-T368 VanDerWaalsContact O-N 3.17Å; A269-T368 HydrophobicContact CB-CG2 4.45Å; F366-T368 PolarHBondContact O-N 2.81Å; F366-T368 VanDerWaalsContact O-N 3.17Å; F366-T368 PolarHBondContact O-OG1 2.86Å; T368-F370 HydrophobicContact CG2-CD2 4.16Å; T368-F370 HydrophobicContact CG2-CE1 4.15Å; T368-F370 HydrophobicContact CG2-CE2 3.52Å; T368-F370 HydrophobicContact CG2-CZ 3.53Å; T368-V377 HydrophobicContact CG2-CG1 3.72Å; T368-G378 CarbonylContact C-O 3.33Å; T368-G378 WeakPolarHBondContact CA-O 3.41Å; T368-F379 HydrophobicContact CG2-CD1 3.94Å; T368-F379 HydrophobicContact CG2-CE1 3.62Å
369V98.8Very high97Very high0 Ų017.3 Ų17.30%09%0.09CC..EExtended strand (participates in β ladder)trans-108.7130.4176.5-178.60000109.2I226 I235 Y237 Y367 V377 G378I226-V369 HydrophobicContact CD1-CG1 3.9Å; I226-V369 HydrophobicContact CD1-CG2 4.13Å; I226-V369 HydrophobicContact CG1-CG1 4.01Å; I226-V369 HydrophobicContact CG1-CG2 4.08Å; I226-V369 HydrophobicContact CG2-CG2 4.03Å; I235-V369 HydrophobicContact CD1-CG2 4.04Å; Y237-V369 HydrophobicContact CE1-CB 4.37Å; Y237-V369 HydrophobicContact CE1-CG1 4.24Å; Y367-V369 HydrophobicContact CD1-CG2 4.01Å; Y367-V369 HydrophobicContact CE1-CG2 3.63Å; V369-V377 CarbonylContact O-C 3.56Å; V369-V377 VanDerWaalsContact O-CA 3.29Å; V369-V377 WeakPolarHBondContact O-CA 3.4Å; V369-V377 WeakPolarHBondContact O-CG1 3.41Å; V369-G378 PolarHBondContact N-O 2.02Å; V369-G378 PolarHBondContact O-N 3.32Å
370F98.8Very high97.3Very high0 Ų017.4 Ų17.40%09%0.091CC..EExtended strand (participates in β ladder)trans-109.9105175.7-62-86.6000107.8T85 V204 F205 F207 W246 A269 T271 T368 V377T85-F370 HydrophobicContact CG2-CD1 4.26Å; T85-F370 HydrophobicContact CG2-CD2 4.34Å; T85-F370 HydrophobicContact CG2-CE1 3.84Å; T85-F370 HydrophobicContact CG2-CE2 3.95Å; T85-F370 HydrophobicContact CG2-CG 4.48Å; T85-F370 HydrophobicContact CG2-CZ 3.67Å; V204-F370 VanDerWaalsContact CA-O 3.29Å; V204-F370 WeakPolarHBondContact CA-O 3.46Å; F205-F370 HydrophobicContact CD1-CB 4.19Å; F205-F370 HydrophobicContact CD2-CB 3.76Å; F205-F370 AromaticContact CD2-CD2 3.71Å; F205-F370 HydrophobicContact CD2-CD2 3.71Å; F205-F370 HydrophobicContact CD2-CG 4.02Å; F205-F370 HydrophobicContact CE1-CB 3.81Å; F205-F370 HydrophobicContact CE2-CB 3.32Å; F205-F370 HydrophobicContact CE2-CD1 4.23Å; F205-F370 AromaticContact CE2-CD2 3.33Å; F205-F370 HydrophobicContact CE2-CD2 3.33Å; F205-F370 HydrophobicContact CE2-CE2 4.16Å; F205-F370 AromaticContact CE2-CG 3.36Å; F205-F370 HydrophobicContact CE2-CG 3.36Å; F205-F370 HydrophobicContact CG-CB 4.18Å; F205-F370 HydrophobicContact CZ-CB 3.35Å; F205-F370 HydrophobicContact CZ-CD1 4.36Å; F205-F370 HydrophobicContact CZ-CD2 4.18Å; F205-F370 AromaticContact CZ-CG 3.73Å; F205-F370 HydrophobicContact CZ-CG 3.73Å; F205-F370 PolarHBondContact N-O 3.13Å; F205-F370 PolarHBondContact O-N 3.47Å; F207-F370 AromaticContact CD2-CD2 3.94Å; F207-F370 HydrophobicContact CD2-CD2 3.94Å; F207-F370 AromaticContact CD2-CE2 3.61Å; F207-F370 HydrophobicContact CD2-CE2 3.61Å; F207-F370 HydrophobicContact CE2-CD2 4.44Å; F207-F370 HydrophobicContact CE2-CE2 4.22Å; F207-F370 HydrophobicContact CG-CE2 4.48Å; W246-F370 HydrophobicContact CB-CD1 4.13Å; W246-F370 HydrophobicContact CB-CE1 4.04Å; W246-F370 AromaticContact CD1-CD1 3.84Å; W246-F370 AromaticContact CD1-CE1 3.97Å; W246-F370 HydrophobicContact CD2-CB 4.25Å; W246-F370 AromaticContact CD2-CD1 3.38Å; W246-F370 HydrophobicContact CD2-CD1 3.38Å; W246-F370 HydrophobicContact CD2-CE1 4.15Å; W246-F370 HydrophobicContact CD2-CG 4.27Å; W246-F370 AromaticContact CE2-CD1 3.65Å; W246-F370 HydrophobicContact CE3-CB 4.18Å; W246-F370 AromaticContact CE3-CD1 3.77Å; W246-F370 HydrophobicContact CE3-CD1 3.77Å; W246-F370 HydrophobicContact CE3-CG 4.48Å; W246-F370 AromaticContact CG-CD1 3.51Å; W246-F370 HydrophobicContact CG-CD1 3.51Å; W246-F370 AromaticContact CG-CE1 3.77Å; W246-F370 HydrophobicContact CG-CE1 3.77Å; W246-F370 HydrophobicContact CH2-CB 3.65Å; W246-F370 HydrophobicContact CZ2-CB 3.74Å; W246-F370 HydrophobicContact CZ2-CD1 4.28Å; W246-F370 HydrophobicContact CZ2-CG 4.43Å; W246-F370 HydrophobicContact CZ3-CB 3.88Å; W246-F370 HydrophobicContact CZ3-CD1 4.35Å; W246-F370 AromaticContact NE1-CD1 3.9Å; A269-F370 HydrophobicContact CB-CE1 3.82Å; A269-F370 HydrophobicContact CB-CZ 4.06Å; T271-F370 HydrophobicContact CG2-CE2 4.49Å; T271-F370 HydrophobicContact CG2-CZ 4.42Å; T368-F370 HydrophobicContact CG2-CD2 4.16Å; T368-F370 HydrophobicContact CG2-CE1 4.15Å; T368-F370 HydrophobicContact CG2-CE2 3.52Å; T368-F370 HydrophobicContact CG2-CZ 3.53Å; F370-V377 HydrophobicContact CD1-CG2 4.16Å
371D98.7Very high97.7Very high10 Ų1023.5 Ų23.55%0.05312%0.117CC..EExtended strand (participates in β ladder)trans-107.189.5-172.3-178-11.4000109.2V204 Y237 G373 K374 N375 R376V204-D371 HydrophobicContact CG1-CB 3.96Å; Y237-D371 HydrophobicContact CE1-CB 4.41Å; D371-G373 VanDerWaalsContact C-N 3.28Å; D371-G373 PolarHBondContact OD1-N 3.44Å; D371-K374 PolarHBondContact O-N 2.52Å; D371-K374 PolarHBondContact OD1-N 2.79Å; D371-N375 WeakPolarHBondContact O-CA 3.37Å; D371-N375 PolarHBondContact O-N 2.91Å; D371-R376 HydrophobicContact CB-CG 3.79Å; D371-R376 PolarHBondContact N-O 2.84Å; D371-R376 PolarHBondContact O-N 2.91Å; D371-R376 VanDerWaalsContact O-N 3.1Å; D371-R376 IonicContact OD2-CZ 3.36Å; D371-R376 IonicContact OD2-NE 3Å; D371-R376 PolarHBondContact OD2-NE 2.8Å; D371-R376 IonicContact OD2-NH2 3.37Å; D371-R376 PolarHBondContact OD2-NH2 3.35Å
372M98.2Very high97.8Very high22 Ų2223.9 Ų23.911%0.10812%0.12CC..THydrogen-bonded Turntrans-71.1-27.5-179.1-164.6171.4-83.100111.4Y179 F191 V192 I195 P203 W246 K374 N375Y179-M372 HydrophobicContact CD1-CE 4.37Å; Y179-M372 HydrophobicContact CE1-CE 4.34Å; Y179-M372 HydrophobicContact CE1-CG 3.87Å; Y179-M372 HydrophobicContact CE2-CE 4.44Å; Y179-M372 HydrophobicContact CG-CE 4.46Å; F191-M372 HydrophobicContact CD1-CE 4.17Å; F191-M372 HydrophobicContact CD1-SD 4.04Å; F191-M372 HydrophobicContact CE1-CB 4.07Å; F191-M372 HydrophobicContact CE1-SD 4.46Å; V192-M372 HydrophobicContact CG2-CE 4.28Å; V192-M372 HydrophobicContact CG2-SD 3.79Å; I195-M372 HydrophobicContact CD1-CB 4.21Å; I195-M372 HydrophobicContact CD1-CG 4.34Å; I195-M372 HydrophobicContact CD1-SD 3.89Å; P203-M372 PolarHBondContact O-N 2.94Å; W246-M372 HydrophobicContact CH2-CB 3.95Å; W246-M372 HydrophobicContact CH2-CE 4.24Å; W246-M372 HydrophobicContact CZ2-CE 3.88Å; M372-K374 VanDerWaalsContact C-N 3.3Å; M372-K374 PolarHBondContact O-N 3.49Å; M372-N375 PolarHBondContact O-OD1 3.47Å
373G97.9Very high97.7Very high45 Ų4527.4 Ų27.446%0.46414%0.139SC..THydrogen-bonded Turntrans-65.6-31.6176.300000113.9P203 D371P203-G373 VanDerWaalsContact CG-CA 3.46Å; P203-G373 PolarHBondContact O-N 3.37Å; D371-G373 VanDerWaalsContact C-N 3.28Å; D371-G373 PolarHBondContact OD1-N 3.44Å
374K98.4Very high97.2Very high134 Ų13429.4 Ų29.458%0.58315%0.148SC*.THydrogen-bonded Turntrans-112.73177.8-66.1178.7177.5179.10114.1D371 M372 R376D371-K374 PolarHBondContact O-N 2.52Å; D371-K374 PolarHBondContact OD1-N 2.79Å; M372-K374 VanDerWaalsContact C-N 3.3Å; M372-K374 PolarHBondContact O-N 3.49Å; K374-R376 HydrophobicContact CB-CG 3.97Å; K374-R376 VanDerWaalsContact CD-CZ 3.45Å
375N98.6Very high96.2Very high48 Ų4832 Ų3226%0.25717%0.165SC..THydrogen-bonded Turntrans51.359.5-178.1-58.3-58.1000113.1Y179 L240 Q243 D371 M372Y179-N375 VanDerWaalsContact CE1-OD1 3.32Å; Y179-N375 WeakPolarHBondContact CE1-OD1 3.26Å; Y179-N375 WeakPolarHBondContact OH-CA 3.45Å; Y179-N375 PolarHBondContact OH-OD1 3.11Å; L240-N375 WeakPolarHBondContact CB-O 3.48Å; L240-N375 HydrophobicContact CD1-CB 4.4Å; L240-N375 WeakPolarHBondContact CG-O 3.25Å; L240-N375 PolarHBondContact N-O 2.93Å; Q243-N375 PolarHBondContact NE2-ND2 2.81Å; D371-N375 WeakPolarHBondContact O-CA 3.37Å; D371-N375 PolarHBondContact O-N 2.91Å; M372-N375 PolarHBondContact O-OD1 3.47Å
376R98.7Very high94.7Very high47 Ų4734.1 Ų34.118%0.17718%0.178CC..EExtended strand (participates in β ladder)trans-150.4157.7-178.161.5-171.9-175151.812.4112Y237 V238 D371 K374Y237-R376 HydrophobicContact CD1-CB 4.44Å; Y237-R376 HydrophobicContact CD1-CG 3.75Å; Y237-R376 HydrophobicContact CE1-CG 4.31Å; V238-R376 VanDerWaalsContact O-CA 3.32Å; V238-R376 WeakPolarHBondContact O-CA 3.25Å; V238-R376 VanDerWaalsContact O-CB 3.28Å; V238-R376 WeakPolarHBondContact O-CB 3.48Å; D371-R376 HydrophobicContact CB-CG 3.79Å; D371-R376 PolarHBondContact N-O 2.84Å; D371-R376 PolarHBondContact O-N 2.91Å; D371-R376 VanDerWaalsContact O-N 3.1Å; D371-R376 IonicContact OD2-CZ 3.36Å; D371-R376 IonicContact OD2-NE 3Å; D371-R376 PolarHBondContact OD2-NE 2.8Å; D371-R376 IonicContact OD2-NH2 3.37Å; D371-R376 PolarHBondContact OD2-NH2 3.35Å; K374-R376 HydrophobicContact CB-CG 3.97Å; K374-R376 VanDerWaalsContact CD-CZ 3.45Å
377V98.8Very high92.5Very high0 Ų037 Ų370%020%0.2CC..EExtended strand (participates in β ladder)trans-111.4141.4170.2-178.10000108.8Y237 V238 L240 W246 F248 A269 T368 V369 F370 F379Y237-V377 CarbonylContact C-O 3.39Å; Y237-V377 VanDerWaalsContact CA-O 3.3Å; Y237-V377 WeakPolarHBondContact CA-O 3.06Å; V238-V377 PolarHBondContact N-O 3.44Å; V238-V377 PolarHBondContact O-N 2.92Å; L240-V377 HydrophobicContact CD2-CG2 3.87Å; W246-V377 HydrophobicContact CB-CG2 3.94Å; W246-V377 HydrophobicContact CD2-CG2 4.33Å; W246-V377 HydrophobicContact CE3-CG2 3.67Å; W246-V377 HydrophobicContact CG-CG2 4.47Å; F248-V377 HydrophobicContact CD1-CG2 4.42Å; A269-V377 HydrophobicContact CB-CG1 4.3Å; T368-V377 HydrophobicContact CG2-CG1 3.72Å; V369-V377 CarbonylContact O-C 3.56Å; V369-V377 VanDerWaalsContact O-CA 3.29Å; V369-V377 WeakPolarHBondContact O-CA 3.4Å; V369-V377 WeakPolarHBondContact O-CG1 3.41Å; F370-V377 HydrophobicContact CD1-CG2 4.16Å; V377-F379 HydrophobicContact CB-CE2 4.34Å; V377-F379 HydrophobicContact CB-CZ 4.22Å; V377-F379 HydrophobicContact CG1-CD1 4.38Å; V377-F379 HydrophobicContact CG1-CD2 4.49Å; V377-F379 HydrophobicContact CG1-CE1 3.66Å; V377-F379 HydrophobicContact CG1-CE2 3.79Å; V377-F379 HydrophobicContact CG1-CZ 3.33Å
378G98.8Very high89.8Confident0 Ų041.9 Ų41.90%023%0.23CC..EExtended strand (participates in β ladder)trans-119.3138.6177.900000111.8I235 N236 Y237 T368 V369I235-G378 VanDerWaalsContact CG2-CA 3.5Å; N236-G378 WeakPolarHBondContact O-CA 3.46Å; Y237-G378 VanDerWaalsContact CD1-CA 3.5Å; T368-G378 CarbonylContact C-O 3.33Å; T368-G378 WeakPolarHBondContact CA-O 3.41Å; V369-G378 PolarHBondContact N-O 2.02Å; V369-G378 PolarHBondContact O-N 3.32Å
379F98.8Very high86.7Confident0 Ų049.9 Ų49.90%027%0.267CS..EExtended strand (participates in β ladder)trans-125133.8178.1-55.5-73.8000111.3N236 V238 F248 A269 I317 M322 F362 F366 Y367 T368 V377N236-F379 PolarHBondContact N-O 3.21Å; N236-F379 PolarHBondContact O-N 3.45Å; V238-F379 HydrophobicContact CG1-CE2 4.1Å; F248-F379 HydrophobicContact CE1-CE2 4.27Å; F248-F379 AromaticContact CE1-CZ 3.85Å; F248-F379 HydrophobicContact CE1-CZ 3.85Å; F248-F379 HydrophobicContact CE2-CE2 4.19Å; F248-F379 HydrophobicContact CE2-CZ 4.4Å; F248-F379 AromaticContact CZ-CE2 3.91Å; F248-F379 HydrophobicContact CZ-CE2 3.91Å; F248-F379 AromaticContact CZ-CZ 3.67Å; F248-F379 HydrophobicContact CZ-CZ 3.67Å; A269-F379 HydrophobicContact CB-CE1 4.27Å; A269-F379 HydrophobicContact CB-CZ 4.2Å; I317-F379 HydrophobicContact CD1-CD2 4.29Å; I317-F379 HydrophobicContact CD1-CE2 4.06Å; I317-F379 HydrophobicContact CG2-CD2 4.46Å; I317-F379 HydrophobicContact CG2-CE2 4.33Å; M322-F379 HydrophobicContact CE-CB 3.64Å; M322-F379 HydrophobicContact SD-CB 4.3Å; F362-F379 HydrophobicContact CD1-CE1 4.32Å; F362-F379 AromaticContact CE1-CD1 3.71Å; F362-F379 HydrophobicContact CE1-CD1 3.71Å; F362-F379 AromaticContact CE1-CE1 3.71Å; F362-F379 HydrophobicContact CE1-CE1 3.71Å; F362-F379 HydrophobicContact CE1-CG 4.26Å; F362-F379 HydrophobicContact CE1-CZ 4.28Å; F366-F379 HydrophobicContact CB-CB 4.43Å; Y367-F379 WeakPolarHBondContact O-CA 3.43Å; T368-F379 HydrophobicContact CG2-CD1 3.94Å; T368-F379 HydrophobicContact CG2-CE1 3.62Å; V377-F379 HydrophobicContact CB-CE2 4.34Å; V377-F379 HydrophobicContact CB-CZ 4.22Å; V377-F379 HydrophobicContact CG1-CD1 4.38Å; V377-F379 HydrophobicContact CG1-CD2 4.49Å; V377-F379 HydrophobicContact CG1-CE1 3.66Å; V377-F379 HydrophobicContact CG1-CE2 3.79Å; V377-F379 HydrophobicContact CG1-CZ 3.33Å
380A98.4Very high83.6Confident1 Ų160.4 Ų60.41%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-137.9156.7171.400000110.6Y231 I235 F366 Y367 A382Y231-A380 HydrophobicContact CD2-CB 3.6Å; Y231-A380 HydrophobicContact CE2-CB 4.47Å; Y231-A380 HydrophobicContact CG-CB 3.98Å; I235-A380 HydrophobicContact CG1-CB 4Å; F366-A380 CarbonylContact C-O 3.52Å; F366-A380 WeakPolarHBondContact CA-O 3.37Å; Y367-A380 PolarHBondContact N-O 3.25Å; Y367-A380 PolarHBondContact O-N 2.94Å; A380-A382 PolarHBondContact O-N 3.38Å; A380-A382 VanDerWaalsContact O-N 3.16Å
381K97.6Very high80.5Confident128 Ų12866.2 Ų66.256%0.55734%0.343SS*.EExtended strand (participates in β ladder)trans-62.3120.5177.7179177.3-178.8175.20109.7Y231 S232Y231-K381 CarbonylContact C-O 3.58Å; Y231-K381 VanDerWaalsContact CA-O 3.25Å; Y231-K381 WeakPolarHBondContact CA-O 3.25Å; S232-K381 PolarHBondContact N-O 2.55Å; S232-K381 PolarHBondContact OG-O 3.49Å
382A95.9Very high77.3Confident9 Ų974.5 Ų74.57%0.07438%0.378CS..EExtended strand (participates in β ladder)trans-66141.8178.700000111.3Y230 K365 A380Y230-A382 CarbonylContact O-C 3.52Å; Y230-A382 VanDerWaalsContact O-CA 3.29Å; Y230-A382 WeakPolarHBondContact O-CA 3.27Å; K365-A382 VanDerWaalsContact O-CB 3.31Å; K365-A382 WeakPolarHBondContact O-CB 3.24Å; K365-A382 PolarHBondContact O-N 3.29Å; A380-A382 PolarHBondContact O-N 3.38Å; A380-A382 VanDerWaalsContact O-N 3.16Å
383L93.8Very high74Confident74 Ų7479.2 Ų79.239%0.38741%0.408SS..  trans-104.6116.5168.6-68.4-179.7000108.4Y208 Y230 Y231 P385Y208-L383 WeakPolarHBondContact CE2-O 3.11Å; Y230-L383 PolarHBondContact O-N 3.08Å; Y231-L383 VanDerWaalsContact O-CD1 3.29Å; Y231-L383 WeakPolarHBondContact O-CD1 3.32Å; L383-P385 WeakPolarHBondContact O-CD 3.49Å
384H86Confident70.6Confident42 Ų4287.8 Ų87.819%0.19443%0.428CS..  trans-97.1110.6178-59.5-72.4000109.5Y208 L209 G364 D386 S387Y208-H384 AromaticContact CE2-CE1 3.77Å; Y208-H384 AromaticContact CE2-ND1 3.28Å; Y208-H384 VanDerWaalsContact CE2-ND1 3.28Å; Y208-H384 WeakPolarHBondContact CE2-ND1 3.36Å; Y208-H384 AromaticContact CZ-ND1 3.57Å; Y208-H384 PolarHBondContact OH-ND1 2.59Å; Y208-H384 VanDerWaalsContact OH-ND1 3.09Å; L209-H384 PolarHBondContact O-CE1 3.23Å; G364-H384 PolarHBondContact O-CE1 2.63Å; G364-H384 PolarHBondContact O-NE2 3.19Å; H384-D386 PolarHBondContact O-N 2.94Å; H384-D386 VanDerWaalsContact O-N 3.14Å; H384-S387 VanDerWaalsContact CB-OG 3.31Å; H384-S387 WeakPolarHBondContact CB-OG 3.34Å; H384-S387 VanDerWaalsContact O-CB 3.26Å; H384-S387 WeakPolarHBondContact O-CB 3.18Å; H384-S387 PolarHBondContact O-N 3.07Å; H384-S387 PolarHBondContact O-OG 3.37Å
385P73.8Confident67.4Low55 Ų5588.1 Ų88.136%0.35744%0.435SS..G310 helixtrans-55.5-34.3-175.8-24.834.1000113.3Y208 Y230 L383 S387 V388Y208-P385 WeakPolarHBondContact OH-CD 3.37Å; Y230-P385 HydrophobicContact CD1-CG 4.28Å; Y230-P385 HydrophobicContact CE1-CG 3.98Å; L383-P385 WeakPolarHBondContact O-CD 3.49Å; P385-S387 PolarHBondContact O-N 2.91Å; P385-V388 PolarHBondContact O-N 2.72Å
386D63.7Low64.2Low86 Ų8690.7 Ų90.746%0.4645%0.454SS..G310 helixtrans-67.4-17.4179.6-60.4-15.4000113.5H384 V388H384-D386 PolarHBondContact O-N 2.94Å; H384-D386 VanDerWaalsContact O-N 3.14Å; D386-V388 VanDerWaalsContact C-N 3.31Å
387S52.5Low61Low72 Ų7297.6 Ų97.650%0.50349%0.491SS..G310 helixtrans-73.3-25178.3-46.20000112.8H384 P385 H389 R390H384-S387 VanDerWaalsContact CB-OG 3.31Å; H384-S387 WeakPolarHBondContact CB-OG 3.34Å; H384-S387 VanDerWaalsContact O-CB 3.26Å; H384-S387 WeakPolarHBondContact O-CB 3.18Å; H384-S387 PolarHBondContact O-N 3.07Å; H384-S387 PolarHBondContact O-OG 3.37Å; P385-S387 PolarHBondContact O-N 2.91Å; S387-H389 PolarHBondContact O-N 3.16Å; S387-R390 PolarHBondContact O-N 3.49Å
388V40.4Very low57.9Low107 Ų107105.7 Ų105.765%0.64853%0.531SS*.G310 helixtrans-74.6-16.2-170.6-174.80000111.8P385 D386P385-V388 PolarHBondContact O-N 2.72Å; D386-V388 VanDerWaalsContact C-N 3.31Å
389H34.2Very low54.7Low168 Ų168116.3 Ų116.378%0.77857%0.571SS**G310 helixtrans-98.35.4177.7-79.2-33.8000115.5S387S387-H389 PolarHBondContact O-N 3.16Å
390R34.6Very low51.4Low221 Ų221124.4 Ų124.483%0.83461%0.613SS**  trans-90.1-3.7176.7-89-167.8-171.7-171.64.6116S387 K392S387-R390 PolarHBondContact O-N 3.49Å; R390-K392 PolarHBondContact O-N 2.84Å
391T33.7Very low48.5Very low122 Ų122132.6 Ų132.675%0.74865%0.649SS**  trans-73.169.8156.522.20000108.9T393T391-T393 VanDerWaalsContact C-N 3.31Å; T391-T393 PolarHBondContact O-N 2.85Å
392K31.6Very low45.5Very low184 Ų184131.7 Ų131.780%0.866%0.656SS**  trans-63.5102.6158.6-82.9-172.1177.5-177.90106.3R390 Y394R390-K392 PolarHBondContact O-N 2.84Å; K392-Y394 PolarHBondContact O-N 2.8Å
393T27.6Very low42.4Very low121 Ų121136.3 Ų136.374%0.74269%0.694SS**  trans-46.8112.6161.7-270000106.9T391 I395T391-T393 VanDerWaalsContact C-N 3.31Å; T391-T393 PolarHBondContact O-N 2.85Å; T393-I395 PolarHBondContact O-N 2.94Å
394Y27.3Very low39.8Very low224 Ų224140.9 Ų140.988%0.87871%0.714SS**  trans-64.893164.5-110.5-95.9000106K392 P396K392-Y394 PolarHBondContact O-N 2.8Å; Y394-P396 WeakPolarHBondContact O-CD 3.5Å
395I30.6Very low37.1Very low142 Ų142144.4 Ų144.473%0.72874%0.743SS**  trans-79.8111.8161.3-60.1177.4000104.2T393 M397T393-I395 PolarHBondContact O-N 2.94Å; I395-M397 PolarHBondContact O-N 3.41Å
396P31.3Very low35.4Very low102 Ų102148.1 Ų148.166%0.66276%0.764SS**  trans-60.1130.717425.6-28.7000106.7Y394 M398Y394-P396 WeakPolarHBondContact O-CD 3.5Å; P396-M398 PolarHBondContact O-N 2.73Å
397M31.7Very low34Very low191 Ų191149.7 Ų149.794%0.94178%0.779SS**  trans-60.491.3170.5-128.9-161.9-129.300107.1I395 R399I395-M397 PolarHBondContact O-N 3.41Å; M397-R399 PolarHBondContact O-N 3.2Å
398M33.2Very low32.9Very low171 Ų171155.9 Ų155.984%0.84280%0.8SS**  trans-62.7116162.4-111.5179.2-17500105.4P396 L400P396-M398 PolarHBondContact O-N 2.73Å; M398-L400 VanDerWaalsContact C-N 3.34Å; M398-L400 PolarHBondContact O-N 3.33Å
399R32Very low32.7Very low223 Ų223155.6 Ų155.684%0.84281%0.809SS**  trans-55.899.3169.9-76.5-179.3173.6-176-2.2108.4M397 F401M397-R399 PolarHBondContact O-N 3.2Å; R399-F401 HydrophobicContact CB-CD2 4.37Å; R399-F401 PolarHBondContact O-N 3.17Å
400L30.4Very low32.6Very low169 Ų169152 Ų15289%0.88581%0.808SS**  trans-80.679.4158.5-76.9161.6000107.1M398M398-L400 VanDerWaalsContact C-N 3.34Å; M398-L400 PolarHBondContact O-N 3.33Å
401F37.3Very low32.6Very low174 Ų174145.9 Ų145.976%0.76380%0.8SS**  trans-108.1120.4153.4-78.2-74.7000106.8R399 A403R399-F401 HydrophobicContact CB-CD2 4.37Å; R399-F401 PolarHBondContact O-N 3.17Å; F401-A403 PolarHBondContact O-N 3.07Å
402P34.9Very low32.4Very low109 Ų109148.6 Ų148.671%0.70880%0.804SS**  trans-66.7127.1171.327.8-29.6000107.9Q404P402-Q404 VanDerWaalsContact C-N 3.33Å; P402-Q404 PolarHBondContact O-N 3.35Å
403A30.2Very low32.6Very low106 Ų106146 Ų14688%0.87680%0.803SS**  trans-62.697.8166.100000108F401F401-A403 PolarHBondContact O-N 3.07Å
404Q38Very low33Very low170 Ų170145.2 Ų145.279%0.79480%0.8SS**  trans-84.9117.1162.5-78.8-174.1-2100108.2P402 V406P402-Q404 VanDerWaalsContact C-N 3.33Å; P402-Q404 PolarHBondContact O-N 3.35Å; Q404-V406 PolarHBondContact O-N 3.46Å
405S30.7Very low33.4Very low115 Ų115142.5 Ų142.580%0.80480%0.801SS**  trans-50.8121.3166.948.80000111.5
406V37.2Very low33.5Very low134 Ų134139.7 Ų139.781%0.81281%0.807SS**  trans-109.5122.9160.8-179.50000106.9Q404Q404-V406 PolarHBondContact O-N 3.46Å
407P33.9Very low33.4Very low119 Ų119140.6 Ų140.677%0.77381%0.81SS**  trans-78.5150.4-174.932.5-35.4000112.7
408Q30.6Very low33.3Very low201 Ų201140.8 Ų140.894%0.93981%0.806SS**  trans-66.4130.6176.5-73.3166.9-54.400113.2
409A35Very low33.1Very low102 Ų102136.6 Ų136.684%0.84380%0.799SS**  trans165.6136.3143.700000106.8
410A33.9Very low32.9Very low91 Ų91135.5 Ų135.575%0.75280%0.8SS**  cis-155.9153.516.700000111.5
411S32.9Very low32.8Very low94 Ų94131.9 Ų131.966%0.65779%0.789SS**  trans1.4135.3154.858.30000123.4
412E31.1Very low32.6Very low178 Ų178132.4 Ų132.483%0.83279%0.791SS**  66.1132.7128.2-68.6179.2-177.200119
413T34.1Very low32.4Very low130 Ų130133.8 Ų133.880%0.79879%0.792SS**  cis-167.817527.522.20000110.9
414P37.8Very low32.4Very low104 Ų104136.4 Ų136.468%0.67579%0.79SS**  trans-103.5152-155.938.8-31.9000115.6
415N35.5Very low32.2Very low168 Ų168133.4 Ų133.490%0.89879%0.788SS**  trans152.4135.6137.7-80.6-26.7000111.2
416G32.2Very low32.5Very low82 Ų82134.9 Ų134.985%0.84579%0.787SS**  trans143.7103.2158.700000115.8
417V28.8Very low32.4Very low122 Ų122137.3 Ų137.374%0.73979%0.79SS**  trans-77.4140.6174-176.30000110.4
418F29.3Very low33.1Very low195 Ų195141.9 Ų141.986%0.85582%0.815SS**  156.7125.7122.9-94.2-77.9000115.5
419A29.6Very low33.2Very low82 Ų82139 Ų13968%0.67881%0.809SS**  trans59.4113.7134.800000124.3
420F27.6Very low33.2Very low200 Ų200140.9 Ų140.988%0.87781%0.807SS**  47116.8116.5-96.1-90.9000122.6
421S29.4Very low33.1Very low94 Ų94143.7 Ų143.766%0.65781%0.81SS**  115144.6118.985.70000118.9
422K32.4Very low33.1Very low185 Ų185146.6 Ų146.680%0.80482%0.819SS**  trans80.6142160.7-70.4-179.6157.6-173.70116.4
423L30.8Very low33.3Very low138 Ų138144.6 Ų144.672%0.72382%0.818SS**  cis-168.6159.7-2.1-118.9156000107.6
424L29.9Very low33.2Very low160 Ų160145.6 Ų145.684%0.83882%0.819SS**  trans-63.3156169.2-72.1139000114.2
425S33.8Very low32.9Very low107 Ų107148.6 Ų148.675%0.74883%0.83SS**  trans-175.1146146.9590000107.9
426D36Very low32.7Very low147 Ų147147.1 Ų147.179%0.78683%0.825SS**  cis179.2178.9-20.5-109.7-25.5000106.1
427E35.8Very low32.7Very low185 Ų185152.5 Ų152.586%0.86482%0.823SS**  trans97.7123161.4-54.8-171.3160.300116
428V49.1Very low33.1Very low215 Ų215155.3 Ų155.3100%1.30383%0.83SS**  cis-135.2039.2176.70000113.6

Retrieved 428 of 428 residues in 751.7 ms (Link to these results)

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