A0A087WZG8_HUMAN Loading...

Lipase member I

AlphaFold DB , UniProt , Accession A0A087WZG8, Species HUMAN (Homo sapiens, Human), Gene LIPI, Length 421 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
1M32.8Very low45.9Very low228 Ų228160.1 Ų160.1100%1.12380%0.797SS**  096.30-91.1169.2-17000108.4
2C28.6Very low49.7Very low131 Ų131151.6 Ų151.689%0.88576%0.763SS**  trans-83.9112.7172.1-65.80000107.5V4C2-V4 PolarHBondContact O-N 3.44Å
3W31.3Very low53Low236 Ų236143.6 Ų143.689%0.89472%0.724SS**  trans-67.9110.6171.8-73.777.1000108.3R5W3-R5 PolarHBondContact O-N 3.02Å; W3-R5 VanDerWaalsContact O-N 3.12Å
4V33.3Very low55.8Low132 Ų132144.6 Ų144.680%0.873%0.725SS**  trans-63.2109.6164.7176.10000106.3C2 S6C2-V4 PolarHBondContact O-N 3.44Å; V4-S6 PolarHBondContact O-N 3.03Å
5R35.3Very low58.2Low233 Ų233135.9 Ų135.988%0.87968%0.681SS**  trans-61.1108.4164-93-178.3172.8177-1.6106.6W3 D7W3-R5 PolarHBondContact O-N 3.02Å; W3-R5 VanDerWaalsContact O-N 3.12Å; R5-D7 PolarHBondContact O-N 3.2Å
6S38.8Very low60.4Low95 Ų95128.6 Ų128.666%0.66465%0.646SS**  trans-58.4114.6164.4-179.90000107.8V4 N8V4-S6 PolarHBondContact O-N 3.03Å; S6-N8 VanDerWaalsContact C-N 3.32Å; S6-N8 PolarHBondContact O-N 3.17Å
7D43Very low62Low133 Ų133130.5 Ų130.571%0.71165%0.653SS**  trans-62.494.4170-87.1-22.6000108.4R5 K9R5-D7 PolarHBondContact O-N 3.2Å; D7-K9 PolarHBondContact O-N 2.93Å
8N46.3Very low63.6Low156 Ų156124.1 Ų124.183%0.83462%0.621SS**  trans-67.976.2166.9-93.5-4.6000108.9S6 R10S6-N8 VanDerWaalsContact C-N 3.32Å; S6-N8 PolarHBondContact O-N 3.17Å; N8-R10 PolarHBondContact O-N 3.48Å
9K60.3Low65Low179 Ų179120.2 Ų120.278%0.77861%0.607SS**PPolyproline II helixtrans-66.5123.9169-73.8-175.1-1801790108.5D7D7-K9 PolarHBondContact O-N 2.93Å
10R69.9Low66.2Low127 Ų127117.5 Ų117.548%0.47960%0.596SS.*PPolyproline II helixtrans-55139.4175.5-171.8177.6-177169.5-1.2109.6N8 E52N8-R10 PolarHBondContact O-N 3.48Å; R10-E52 IonicContact NH1-OE2 3.24Å; R10-E52 PolarHBondContact NH1-OE2 3.06Å
11P85Confident67.4Low111 Ų111120 Ų12072%0.72160%0.603SS**PPolyproline II helixtrans-62.5142.2176.325.6-33.9000110.7
12C91.2Very high70.3Confident58 Ų58110.8 Ų110.839%0.39256%0.559SS.*PPolyproline II helixtrans-60.1142.4176.5-51.10000110.2C46C12-C46 VanDerWaalsContact CA-SG 3.55Å; C12-C46 HydrophobicContact CB-CB 4.02Å; C12-C46 WeakPolarHBondContact CB-SG 3.32Å; C12-C46 VanDerWaalsContact SG-CA 3.55Å; C12-C46 WeakPolarHBondContact SG-CB 3.35Å; C12-C46 CovalentContact SG-SG 2.03Å; C12-C46 PolarHBondContact SG-SG 2.8Å
13L93.6Very high73.2Confident48 Ų48104.6 Ų104.625%0.25152%0.516SS..BIsolated β-bridgetrans-69.3137.3167.3-62.7-179.5000109.3I35 M37 A47 P49L13-I35 HydrophobicContact CD1-CG2 4.43Å; L13-M37 HydrophobicContact CB-CG 3.9Å; L13-M37 HydrophobicContact CD1-CG 4.26Å; L13-A47 HydrophobicContact CB-CB 3.96Å; L13-A47 PolarHBondContact N-O 2.92Å; L13-A47 WeakPolarHBondContact O-CB 3.38Å; L13-P49 HydrophobicContact CD1-CB 3.99Å
14E91.4Very high76Confident158 Ų15898.8 Ų98.874%0.73850%0.498SS*.  trans-114.9147176.1-65.4-170.4169.100110.4S16E14-S16 PolarHBondContact O-N 3.46Å
15F92.8Very high78.8Confident13 Ų1398.3 Ų98.36%0.05748%0.482CS..  trans-64134.5174.7-168.4-76.9000109.4Q17 M37 H72 I80 P81 L84 V101 D103 S105F15-Q17 PolarHBondContact O-N 2.63Å; F15-M37 HydrophobicContact CB-CE 4.12Å; F15-M37 HydrophobicContact CB-SD 4.31Å; F15-M37 HydrophobicContact CD2-CE 3.53Å; F15-M37 HydrophobicContact CE2-CE 4.33Å; F15-M37 HydrophobicContact CG-CE 4.19Å; F15-H72 AromaticContact CE2-CD2 3.72Å; F15-H72 AromaticContact CZ-CD2 3.52Å; F15-H72 AromaticContact CZ-NE2 3.71Å; F15-I80 HydrophobicContact CB-CD1 4.47Å; F15-I80 HydrophobicContact CB-CG2 4.39Å; F15-I80 HydrophobicContact CD1-CB 4.3Å; F15-I80 HydrophobicContact CD1-CG1 3.87Å; F15-I80 HydrophobicContact CD1-CG2 4.05Å; F15-I80 HydrophobicContact CG-CG2 4.2Å; F15-P81 HydrophobicContact CZ-CG 4.28Å; F15-L84 HydrophobicContact CD2-CD2 3.34Å; F15-L84 HydrophobicContact CE2-CD2 3.76Å; F15-L84 HydrophobicContact CG-CD2 4.13Å; F15-V101 HydrophobicContact CD2-CG1 4.37Å; F15-V101 HydrophobicContact CE2-CG1 4.4Å; F15-D103 HydrophobicContact CD2-CB 4.03Å; F15-D103 HydrophobicContact CE2-CB 3.84Å; F15-D103 HydrophobicContact CZ-CB 4.31Å; F15-D103 WeakPolarHBondContact CZ-OD1 3.28Å; F15-S105 WeakPolarHBondContact CE1-OG 3.34Å; F15-S105 VanDerWaalsContact CZ-OG 3.24Å; F15-S105 WeakPolarHBondContact CZ-OG 3.02Å
16S92.5Very high81.5Confident19 Ų1987.7 Ų87.713%0.13344%0.442CS..  trans-53112.4-178.1-63.40000111.5E14 L18 D103E14-S16 PolarHBondContact O-N 3.46Å; S16-L18 PolarHBondContact O-N 3.31Å; S16-D103 WeakPolarHBondContact CA-OD2 3.03Å; S16-D103 WeakPolarHBondContact CB-OD2 3.38Å; S16-D103 PolarHBondContact N-OD2 3.15Å; S16-D103 PolarHBondContact OG-OD2 3.39Å
17Q87.8Confident83.8Confident162 Ų16286 Ų8676%0.75743%0.426SS*.  trans-89.389.7175.7-160.9174.1900109.3F15 I80F15-Q17 PolarHBondContact O-N 2.63Å; Q17-I80 HydrophobicContact CB-CD1 4.39Å; Q17-I80 HydrophobicContact CG-CD1 4.28Å
18L90.4Very high86.2Confident14 Ų1488 Ų887%0.07343%0.428CS..  trans-99159177.9-54.9-176.2000110.8S16 D22 G78 R106 T109S16-L18 PolarHBondContact O-N 3.31Å; L18-D22 HydrophobicContact CB-CB 4.17Å; L18-G78 CarbonylContact O-C 3.54Å; L18-R106 HydrophobicContact CD1-CG 4.39Å; L18-R106 VanDerWaalsContact CD2-NH1 3.32Å; L18-T109 HydrophobicContact CB-CG2 4.19Å; L18-T109 HydrophobicContact CD1-CG2 4.32Å
19S90.1Very high88.3Confident51 Ų5184.9 Ų84.936%0.35741%0.41SS..  trans-122.8175.5-178.871.50000111.5K21 D22 V77S19-K21 PolarHBondContact O-N 3.11Å; S19-K21 WeakPolarHBondContact OG-CB 3.38Å; S19-K21 PolarHBondContact OG-N 3.34Å; S19-D22 PolarHBondContact N-OD2 2.82Å; S19-D22 WeakPolarHBondContact O-CB 3.49Å; S19-D22 PolarHBondContact O-N 2.85Å; S19-D22 PolarHBondContact OG-OD2 2.99Å; S19-D22 VanDerWaalsContact OG-OD2 3.08Å; S19-V77 CarbonylContact C-O 3.53Å
20V89.5Confident89.6Confident66 Ų6680 Ų8040%0.440%0.397SS..Hα-helixtrans-56.2-31.1171.8-172.40000111.8D22 S23 F24 V77 F111V20-D22 VanDerWaalsContact C-N 3.26Å; V20-D22 PolarHBondContact O-N 3.01Å; V20-S23 WeakPolarHBondContact O-CB 3.45Å; V20-S23 PolarHBondContact O-N 2.02Å; V20-S23 VanDerWaalsContact O-N 3.14Å; V20-F24 HydrophobicContact CG1-CD2 4.17Å; V20-F24 HydrophobicContact CG1-CE2 3.84Å; V20-F24 WeakPolarHBondContact O-CD2 3.49Å; V20-F24 PolarHBondContact O-N 3.29Å; V20-V77 HydrophobicContact CG2-CB 4.01Å; V20-V77 HydrophobicContact CG2-CG1 3.99Å; V20-F111 HydrophobicContact CG1-CZ 3.68Å
21K91.5Very high90.5Very high171 Ų17180.5 Ų80.574%0.74340%0.399SS*.Hα-helixtrans-62.2-34.2176.3-63.3-179.3177.9178.20112S19 S23 F24 R25S19-K21 PolarHBondContact O-N 3.11Å; S19-K21 WeakPolarHBondContact OG-CB 3.38Å; S19-K21 PolarHBondContact OG-N 3.34Å; K21-S23 VanDerWaalsContact C-N 3.34Å; K21-F24 PolarHBondContact O-N 3.24Å; K21-R25 PolarHBondContact O-N 3.33Å
22D93.3Very high90.8Very high34 Ų3478.2 Ų78.218%0.18238%0.38CS..Hα-helixtrans-67.6-36.2176.3-63-88.5000111.4L18 S19 V20 F24 R25 D26 R106 T109L18-D22 HydrophobicContact CB-CB 4.17Å; S19-D22 PolarHBondContact N-OD2 2.82Å; S19-D22 WeakPolarHBondContact O-CB 3.49Å; S19-D22 PolarHBondContact O-N 2.85Å; S19-D22 PolarHBondContact OG-OD2 2.99Å; S19-D22 VanDerWaalsContact OG-OD2 3.08Å; V20-D22 VanDerWaalsContact C-N 3.26Å; V20-D22 PolarHBondContact O-N 3.01Å; D22-F24 VanDerWaalsContact C-N 3.33Å; D22-F24 PolarHBondContact O-N 3.04Å; D22-R25 PolarHBondContact O-N 3.19Å; D22-D26 WeakPolarHBondContact O-CB 3.31Å; D22-D26 PolarHBondContact O-N 3.07Å; D22-R106 IonicContact OD1-NH1 2.74Å; D22-R106 PolarHBondContact OD1-NH1 3.5Å; D22-T109 HydrophobicContact CB-CG2 4.28Å
23S89.8Confident90.9Very high0 Ų080.6 Ų80.60%039%0.386CS..Hα-helixtrans-64.2-37.5173.6-62.60000112.5V20 K21 P76 T109V20-S23 WeakPolarHBondContact O-CB 3.45Å; V20-S23 PolarHBondContact O-N 2.02Å; V20-S23 VanDerWaalsContact O-N 3.14Å; K21-S23 VanDerWaalsContact C-N 3.34Å; S23-P76 WeakPolarHBondContact CB-O 3.39Å; S23-P76 PolarHBondContact OG-O 3Å; S23-T109 WeakPolarHBondContact OG-CG2 3.33Å
24F90.8Very high90.9Very high115 Ų11579.5 Ų79.550%0.50438%0.381SS..Hα-helixtrans-67.1-43.3171.6-78.3-72.2000111.8V20 K21 D22 D26 L27 F111V20-F24 HydrophobicContact CG1-CD2 4.17Å; V20-F24 HydrophobicContact CG1-CE2 3.84Å; V20-F24 WeakPolarHBondContact O-CD2 3.49Å; V20-F24 PolarHBondContact O-N 3.29Å; K21-F24 PolarHBondContact O-N 3.24Å; D22-F24 VanDerWaalsContact C-N 3.33Å; D22-F24 PolarHBondContact O-N 3.04Å; F24-D26 VanDerWaalsContact C-N 3.31Å; F24-D26 PolarHBondContact O-N 2.93Å; F24-L27 HydrophobicContact CD1-CD1 4.14Å; F24-L27 VanDerWaalsContact O-CB 3.27Å; F24-L27 WeakPolarHBondContact O-CB 2.98Å; F24-L27 PolarHBondContact O-N 2.91Å; F24-L27 VanDerWaalsContact O-N 3.16Å; F24-F111 HydrophobicContact CD1-CE2 4.05Å; F24-F111 AromaticContact CD2-CE2 3.89Å; F24-F111 HydrophobicContact CD2-CE2 3.89Å; F24-F111 HydrophobicContact CD2-CZ 4.42Å; F24-F111 AromaticContact CE1-CE2 3.98Å; F24-F111 HydrophobicContact CE1-CE2 3.98Å; F24-F111 AromaticContact CE2-CE2 3.82Å; F24-F111 HydrophobicContact CE2-CE2 3.82Å; F24-F111 HydrophobicContact CE2-CZ 4.1Å; F24-F111 HydrophobicContact CG-CE2 4Å; F24-F111 AromaticContact CZ-CE2 3.86Å; F24-F111 HydrophobicContact CZ-CE2 3.86Å; F24-F111 HydrophobicContact CZ-CZ 4.31Å
25R90.7Very high91.2Very high121 Ų12174 Ų7446%0.45736%0.356SS..Hα-helixtrans-61.1-40.4177.3-172.9-179.6-178.1177.54.9111.9K21 D22 L27 F28 I29K21-R25 PolarHBondContact O-N 3.33Å; D22-R25 PolarHBondContact O-N 3.19Å; R25-L27 PolarHBondContact O-N 2.84Å; R25-F28 PolarHBondContact O-N 3.32Å; R25-F28 VanDerWaalsContact O-N 3.13Å; R25-I29 PolarHBondContact O-N 2.88Å
26D92.4Very high91.4Very high10 Ų1074.1 Ų74.15%0.05336%0.357CS..Hα-helixtrans-59.2-28.5177.7179.174.2000112.3D22 F24 F28 P30 T110 R115D22-D26 WeakPolarHBondContact O-CB 3.31Å; D22-D26 PolarHBondContact O-N 3.07Å; F24-D26 VanDerWaalsContact C-N 3.31Å; F24-D26 PolarHBondContact O-N 2.93Å; D26-F28 PolarHBondContact O-N 3.28Å; D26-P30 WeakPolarHBondContact OD1-CA 2.9Å; D26-T110 WeakPolarHBondContact OD2-CB 3.3Å; D26-T110 PolarHBondContact OD2-OG1 3.3Å; D26-R115 VanDerWaalsContact C-NH1 3.32Å; D26-R115 PolarHBondContact O-NH1 2.79Å; D26-R115 VanDerWaalsContact OD2-CD 3.27Å; D26-R115 WeakPolarHBondContact OD2-CD 3.43Å; D26-R115 IonicContact OD2-CZ 2.72Å; D26-R115 IonicContact OD2-NE 3.92Å; D26-R115 IonicContact OD2-NH1 2.96Å; D26-R115 PolarHBondContact OD2-NH1 2.82Å
27L88.4Confident91.6Very high61 Ų6173.2 Ų73.232%0.31935%0.351SS..Hα-helixtrans-56.1-37.2176.4-61.9177.1000112.1F24 R25 I112F24-L27 HydrophobicContact CD1-CD1 4.14Å; F24-L27 VanDerWaalsContact O-CB 3.27Å; F24-L27 WeakPolarHBondContact O-CB 2.98Å; F24-L27 PolarHBondContact O-N 2.91Å; F24-L27 VanDerWaalsContact O-N 3.16Å; R25-L27 PolarHBondContact O-N 2.84Å; L27-I112 HydrophobicContact CD2-CD1 3.71Å; L27-I112 HydrophobicContact CD2-CG1 3.76Å
28F91.6Very high92Very high174 Ų17465.5 Ų65.576%0.76332%0.315SS*.Hα-helixtrans-103.3-36.7-175.5-56.4-79.4000113.2R25 D26R25-F28 PolarHBondContact O-N 3.32Å; R25-F28 VanDerWaalsContact O-N 3.13Å; D26-F28 PolarHBondContact O-N 3.28Å
29I91Very high92.4Very high90 Ų9065.1 Ų65.146%0.46231%0.313SS..SBendtrans-130.878.9-174.9-50.1175.7000109R25 R31R25-I29 PolarHBondContact O-N 2.88Å; I29-R31 PolarHBondContact O-N 2.93Å
30P87.7Confident92.7Very high77 Ų7762.9 Ų62.950%0.530%0.297SS..  trans-69.2132.1-177.528.2-34000110.9D26D26-P30 WeakPolarHBondContact OD1-CA 2.9Å
31R88.5Confident92.9Very high137 Ų13764.9 Ų64.952%0.51730%0.297SS..  trans-128.3146.5177.5-66.5-174.3-177.9-171.1-2.7110.2I29 R106I29-R31 PolarHBondContact O-N 2.93Å; R31-R106 CarbonylContact O-C 3.57Å
32I91.8Very high93Very high64 Ų6462.9 Ų62.933%0.32829%0.294SS..  trans-134.1125.4175.4-56.6170.4000106.9N119 K122 V123I32-N119 HydrophobicContact CD1-CB 4.09Å; I32-N119 WeakPolarHBondContact CD1-OD1 3.3Å; I32-K122 HydrophobicContact CD1-CB 4.4Å; I32-K122 HydrophobicContact CD1-CD 3.38Å; I32-V123 HydrophobicContact CG2-CG2 4.4Å
33E93.1Very high92.9Very high108 Ų10861.7 Ų61.751%0.50529%0.288SS..  trans-141.3148.5178.5-174.6173.5-162.800107.3I35 R106E33-I35 HydrophobicContact CG-CG1 4.44Å; E33-R106 HydrophobicContact CB-CB 4.06Å; E33-R106 HydrophobicContact CB-CG 4.09Å
34T95.1Very high92.7Very high25 Ų2565 Ų6515%0.15331%0.306CS..  trans-131.6118.2177.6-55.70000108.4L36 V102 D103 V123 L127T34-L36 HydrophobicContact CG2-CD2 4.12Å; T34-V102 HydrophobicContact CG2-CG1 3.63Å; T34-D103 CarbonylContact C-O 3.54Å; T34-D103 WeakPolarHBondContact CA-O 3.41Å; T34-V123 HydrophobicContact CG2-CG1 4.46Å; T34-L127 HydrophobicContact CG2-CD2 4.03Å
35I95.9Very high92.6Very high43 Ų4366.9 Ų66.922%0.22132%0.321CS..EExtended strand (participates in β ladder)trans-104.2128.9177.7-55.3171.4000107.4L13 E33 M37 D103L13-I35 HydrophobicContact CD1-CG2 4.43Å; E33-I35 HydrophobicContact CG-CG1 4.44Å; I35-M37 HydrophobicContact CG2-CG 4.12Å; I35-D103 HydrophobicContact CB-CB 4.3Å; I35-D103 PolarHBondContact N-O 2.65Å; I35-D103 PolarHBondContact O-N 2.89Å
36L97.3Very high92.7Very high14 Ų1462.8 Ų62.87%0.07331%0.31CS..EExtended strand (participates in β ladder)trans-102.2104.5177.2-58.1-175000109.1T34 L50 W69 I100 V102 L127 H130T34-L36 HydrophobicContact CG2-CD2 4.12Å; L36-L50 HydrophobicContact CB-CB 4.25Å; L36-L50 HydrophobicContact CD1-CD2 3.74Å; L36-W69 HydrophobicContact CD1-CZ3 4.25Å; L36-W69 HydrophobicContact CD2-CZ3 4.15Å; L36-I100 HydrophobicContact CB-CG2 4.15Å; L36-I100 HydrophobicContact CD2-CG2 4.21Å; L36-V102 HydrophobicContact CD2-CG1 4.37Å; L36-V102 HydrophobicContact CD2-CG2 4Å; L36-L127 HydrophobicContact CD2-CD2 3.68Å; L36-H130 HydrophobicContact CD1-CB 3.77Å
37M96.7Very high92.8Very high0 Ų062.4 Ų62.40%031%0.309CS..EExtended strand (participates in β ladder)trans-97.2111.8179.2-73176.6-64.500109.3L13 F15 I35 Y39 A47 I100 V101 D103L13-M37 HydrophobicContact CB-CG 3.9Å; L13-M37 HydrophobicContact CD1-CG 4.26Å; F15-M37 HydrophobicContact CB-CE 4.12Å; F15-M37 HydrophobicContact CB-SD 4.31Å; F15-M37 HydrophobicContact CD2-CE 3.53Å; F15-M37 HydrophobicContact CE2-CE 4.33Å; F15-M37 HydrophobicContact CG-CE 4.19Å; I35-M37 HydrophobicContact CG2-CG 4.12Å; M37-Y39 HydrophobicContact CB-CE2 4.06Å; M37-A47 HydrophobicContact CB-CB 3.86Å; M37-A47 HydrophobicContact CG-CB 4.1Å; M37-I100 CarbonylContact O-C 3.57Å; M37-I100 WeakPolarHBondContact O-CA 3.05Å; M37-V101 HydrophobicContact CB-CB 4.18Å; M37-V101 HydrophobicContact CE-CB 4.07Å; M37-V101 HydrophobicContact CE-CG1 3.65Å; M37-V101 PolarHBondContact N-O 3.21Å; M37-V101 PolarHBondContact O-N 2.85Å; M37-D103 HydrophobicContact CE-CB 3.53Å
38M96.9Very high93.1Very high0 Ų062 Ų620%031%0.305CS..EExtended strand (participates in β ladder)trans-96132.5-177.9-172.5-169.971.500111.1T40 N43 E48 L50 N58 N60 F61 V99M38-T40 HydrophobicContact CE-CG2 4.46Å; M38-N43 PolarHBondContact O-ND2 2.81Å; M38-E48 WeakPolarHBondContact CA-O 3.45Å; M38-E48 VanDerWaalsContact CB-O 3.3Å; M38-E48 WeakPolarHBondContact CB-O 3.45Å; M38-E48 HydrophobicContact CE-CB 4.35Å; M38-E48 PolarHBondContact N-O 2.89Å; M38-E48 PolarHBondContact O-N 2.95Å; M38-L50 HydrophobicContact CG-CD1 4.46Å; M38-L50 HydrophobicContact SD-CD1 3.98Å; M38-N58 HydrophobicContact CE-CB 3.76Å; M38-N58 WeakPolarHBondContact CE-OD1 3.04Å; M38-N58 HydrophobicContact SD-CB 4.4Å; M38-N60 HydrophobicContact CE-CB 3.86Å; M38-F61 HydrophobicContact SD-CB 3.65Å; M38-F61 HydrophobicContact SD-CD2 3.68Å; M38-F61 HydrophobicContact SD-CG 4.15Å; M38-V99 CarbonylContact C-O 3.57Å; M38-V99 WeakPolarHBondContact CA-O 3.35Å
39Y97.5Very high93.3Very high7 Ų754.7 Ų54.73%0.02728%0.275CS..EExtended strand (participates in β ladder)trans-127.3144.2173.6-61-94.3000110M37 A47 Q85 V88 V99 V101M37-Y39 HydrophobicContact CB-CE2 4.06Å; Y39-A47 HydrophobicContact CD1-CB 4.43Å; Y39-A47 HydrophobicContact CD2-CB 4.47Å; Y39-A47 HydrophobicContact CE1-CB 3.77Å; Y39-A47 HydrophobicContact CE2-CB 3.82Å; Y39-A47 VanDerWaalsContact CZ-CB 3.45Å; Y39-Q85 PolarHBondContact OH-NE2 3.33Å; Y39-V88 HydrophobicContact CD1-CG1 4.08Å; Y39-V88 HydrophobicContact CD2-CG1 3.98Å; Y39-V88 HydrophobicContact CD2-CG2 4.47Å; Y39-V88 HydrophobicContact CG-CG1 3.7Å; Y39-V99 PolarHBondContact N-O 2.88Å; Y39-V99 PolarHBondContact O-N 3.06Å; Y39-V101 HydrophobicContact CD2-CG2 4.1Å; Y39-V101 HydrophobicContact CE2-CB 4.38Å; Y39-V101 HydrophobicContact CE2-CG2 3.84Å
40T96.8Very high93.5Very high4 Ų450.5 Ų50.53%0.02525%0.254CS..  trans-142.3174.8174.872.90000107.8M38 N42 N43 L44 N60M38-T40 HydrophobicContact CE-CG2 4.46Å; T40-N42 PolarHBondContact O-N 2.67Å; T40-N42 VanDerWaalsContact O-N 3.14Å; T40-N42 PolarHBondContact OG1-N 2.6Å; T40-N42 VanDerWaalsContact OG1-N 3.16Å; T40-N43 WeakPolarHBondContact CA-OD1 3.03Å; T40-N43 WeakPolarHBondContact CB-OD1 3.25Å; T40-N43 PolarHBondContact N-OD1 2.78Å; T40-N43 CarbonylContact O-C 3.3Å; T40-N43 PolarHBondContact O-N 2.93Å; T40-N43 VanDerWaalsContact O-N 3.14Å; T40-N43 PolarHBondContact O-OD1 2.76Å; T40-N43 PolarHBondContact OG1-OD1 3.2Å; T40-L44 PolarHBondContact O-N 3.31Å; T40-N60 HydrophobicContact CG2-CB 4.28Å
41R94.8Very high93.8Very high108 Ų10848.1 Ų48.141%0.40824%0.235SC..THydrogen-bonded Turntrans-59.6-22.3173-69.4-178.8173.6-173.4-4.1113.3L92 N93R41-L92 PolarHBondContact NE-O 2.88Å; R41-L92 PolarHBondContact NH2-O 2.82Å; R41-L92 VanDerWaalsContact NH2-O 3.12Å; R41-N93 PolarHBondContact NH2-O 2.81Å
42N92.3Very high93.9Very high128 Ų12844.4 Ų44.468%0.68422%0.224SC*.THydrogen-bonded Turntrans-81-18.7179.5-63-16000113.3T40 N60T40-N42 PolarHBondContact O-N 2.67Å; T40-N42 VanDerWaalsContact O-N 3.14Å; T40-N42 PolarHBondContact OG1-N 2.6Å; T40-N42 VanDerWaalsContact OG1-N 3.16Å; N42-N60 PolarHBondContact ND2-OD1 3.04Å
43N91.9Very high93.7Very high9 Ų950.1 Ų50.15%0.04825%0.249CC..SBendtrans-139.846.4-174.671-44.3000112.6M38 T40 N45 C46M38-N43 PolarHBondContact O-ND2 2.81Å; T40-N43 WeakPolarHBondContact CA-OD1 3.03Å; T40-N43 WeakPolarHBondContact CB-OD1 3.25Å; T40-N43 PolarHBondContact N-OD1 2.78Å; T40-N43 CarbonylContact O-C 3.3Å; T40-N43 PolarHBondContact O-N 2.93Å; T40-N43 VanDerWaalsContact O-N 3.14Å; T40-N43 PolarHBondContact O-OD1 2.76Å; T40-N43 PolarHBondContact OG1-OD1 3.2Å; N43-N45 VanDerWaalsContact C-N 3.25Å; N43-N45 PolarHBondContact O-N 3.08Å; N43-N45 VanDerWaalsContact O-N 3.1Å; N43-C46 WeakPolarHBondContact CB-O 2.97Å; N43-C46 PolarHBondContact ND2-O 2.78Å; N43-C46 PolarHBondContact O-N 3.3Å
44L86.3Confident93.4Very high71 Ų7150.6 Ų50.637%0.37226%0.255SS..THydrogen-bonded Turntrans-50.3-39-173.5-69170.2000114.9T40 L92T40-L44 PolarHBondContact O-N 3.31Å; L44-L92 HydrophobicContact CD2-CB 3.87Å; L44-L92 HydrophobicContact CD2-CD1 3.6Å; L44-L92 HydrophobicContact CD2-CG 4.34Å
45N87.6Confident93Very high153 Ų15354.5 Ų54.582%0.81828%0.275SS*.THydrogen-bonded Turntrans-109.2-1.3-173.1-60.4-35.3000113.6N43N43-N45 VanDerWaalsContact C-N 3.25Å; N43-N45 PolarHBondContact O-N 3.08Å; N43-N45 VanDerWaalsContact O-N 3.1Å
46C92.4Very high92.9Very high36 Ų3654.5 Ų54.524%0.24328%0.279CS..SBendtrans-131.898.7-174.2-175.10000108.7C12 N43 E48C12-C46 VanDerWaalsContact CA-SG 3.55Å; C12-C46 HydrophobicContact CB-CB 4.02Å; C12-C46 WeakPolarHBondContact CB-SG 3.32Å; C12-C46 VanDerWaalsContact SG-CA 3.55Å; C12-C46 WeakPolarHBondContact SG-CB 3.35Å; C12-C46 CovalentContact SG-SG 2.03Å; C12-C46 PolarHBondContact SG-SG 2.8Å; N43-C46 WeakPolarHBondContact CB-O 2.97Å; N43-C46 PolarHBondContact ND2-O 2.78Å; N43-C46 PolarHBondContact O-N 3.3Å; C46-E48 PolarHBondContact O-N 2.87Å
47A95.2Very high92.7Very high2 Ų255.4 Ų55.42%0.01728%0.284CS..BIsolated β-bridgetrans-64.7137.4178.500000110.1L13 M37 Y39L13-A47 HydrophobicContact CB-CB 3.96Å; L13-A47 PolarHBondContact N-O 2.92Å; L13-A47 WeakPolarHBondContact O-CB 3.38Å; M37-A47 HydrophobicContact CB-CB 3.86Å; M37-A47 HydrophobicContact CG-CB 4.1Å; Y39-A47 HydrophobicContact CD1-CB 4.43Å; Y39-A47 HydrophobicContact CD2-CB 4.47Å; Y39-A47 HydrophobicContact CE1-CB 3.77Å; Y39-A47 HydrophobicContact CE2-CB 3.82Å; Y39-A47 VanDerWaalsContact CZ-CB 3.45Å
48E95.4Very high92.6Very high52 Ų5255.6 Ų55.624%0.24329%0.285CS..EExtended strand (participates in β ladder)trans-115.1156.1175-68.7-179.3-175.800109.9M38 C46 N58 N60M38-E48 WeakPolarHBondContact CA-O 3.45Å; M38-E48 VanDerWaalsContact CB-O 3.3Å; M38-E48 WeakPolarHBondContact CB-O 3.45Å; M38-E48 HydrophobicContact CE-CB 4.35Å; M38-E48 PolarHBondContact N-O 2.89Å; M38-E48 PolarHBondContact O-N 2.95Å; C46-E48 PolarHBondContact O-N 2.87Å; E48-N58 WeakPolarHBondContact CB-ND2 3.12Å; E48-N58 PolarHBondContact OE2-ND2 3.22Å; E48-N58 PolarHBondContact OE2-OD1 2.87Å; E48-N60 PolarHBondContact OE1-ND2 2.76Å; E48-N60 PolarHBondContact OE2-ND2 3.35Å
49P95.1Very high92.3Very high20 Ų2061.9 Ų61.913%0.1332%0.323CS..EExtended strand (participates in β ladder)trans-66.3146172.328.5-34.2000110.4L13 F51 N58L13-P49 HydrophobicContact CD1-CB 3.99Å; P49-F51 VanDerWaalsContact C-N 3.28Å; P49-F51 PolarHBondContact O-N 3.24Å; P49-N58 VanDerWaalsContact O-CB 3.3Å; P49-N58 WeakPolarHBondContact O-CB 3.25Å; P49-N58 PolarHBondContact O-ND2 3.38Å; P49-N58 VanDerWaalsContact O-ND2 3.07Å
50L95.2Very high92.2Very high3 Ų363.3 Ų63.32%0.01633%0.331CS..SBendtrans-64-33.6176.6-178.861.6000113.2L36 M38 N58 F61 W69 I100 L134L36-L50 HydrophobicContact CB-CB 4.25Å; L36-L50 HydrophobicContact CD1-CD2 3.74Å; M38-L50 HydrophobicContact CG-CD1 4.46Å; M38-L50 HydrophobicContact SD-CD1 3.98Å; L50-N58 PolarHBondContact O-N 3.01Å; L50-N58 VanDerWaalsContact O-N 3.16Å; L50-F61 HydrophobicContact CD1-CD2 3.54Å; L50-F61 HydrophobicContact CD1-CE2 3.81Å; L50-F61 HydrophobicContact CD1-CG 4.21Å; L50-W69 HydrophobicContact CD2-CH2 4.18Å; L50-I100 HydrophobicContact CD1-CD1 3.83Å; L50-I100 HydrophobicContact CD1-CG1 4.32Å; L50-I100 HydrophobicContact CD2-CD1 3.98Å; L50-L134 HydrophobicContact CD1-CD2 4.13Å; L50-L134 HydrophobicContact CD2-CD1 4.2Å; L50-L134 HydrophobicContact CD2-CD2 4.24Å; L50-L134 HydrophobicContact CD2-CG 4.45Å; L50-L134 HydrophobicContact CG-CD2 4.3Å
51F94.2Very high92.1Very high26 Ų2663.9 Ų63.911%0.11433%0.333CS..BIsolated β-bridgetrans-125.2146.8-179.7-57.8-77.6000110.5P49 S56 L57 H130 N133 L134P49-F51 VanDerWaalsContact C-N 3.28Å; P49-F51 PolarHBondContact O-N 3.24Å; F51-S56 CarbonylContact C-O 3.56Å; F51-S56 VanDerWaalsContact CA-O 3.31Å; F51-S56 WeakPolarHBondContact CA-O 3.45Å; F51-L57 HydrophobicContact CD1-CD2 3.94Å; F51-L57 HydrophobicContact CE1-CD2 3.57Å; F51-H130 HydrophobicContact CE2-CB 4.03Å; F51-H130 AromaticContact CE2-CD2 3.75Å; F51-N133 WeakPolarHBondContact CD1-ND2 3.39Å; F51-N133 HydrophobicContact CE1-CB 4.08Å; F51-N133 WeakPolarHBondContact CE1-ND2 3.48Å; F51-N133 HydrophobicContact CZ-CB 3.86Å; F51-L134 HydrophobicContact CE1-CD2 4.01Å; F51-L134 HydrophobicContact CE1-CG 4.48Å; F51-L134 HydrophobicContact CZ-CD2 3.84Å; F51-L134 HydrophobicContact CZ-CG 3.92Å
52E90.9Very high92.2Very high59 Ų5961.7 Ų61.728%0.27633%0.329SS..  trans-75.9169.9168.2-61.2-53.8153.100111.4R10 N54 N55 S56R10-E52 IonicContact NH1-OE2 3.24Å; R10-E52 PolarHBondContact NH1-OE2 3.06Å; E52-N54 WeakPolarHBondContact CB-OD1 3.39Å; E52-N54 PolarHBondContact O-N 3.24Å; E52-N54 VanDerWaalsContact O-N 3.14Å; E52-N55 WeakPolarHBondContact O-CA 3.27Å; E52-N55 PolarHBondContact O-N 2.88Å; E52-S56 PolarHBondContact N-O 3.49Å
53Q86.1Confident92.5Very high184 Ų18456.8 Ų56.886%0.8630%0.304SS*.THydrogen-bonded Turntrans-59.7-27.3-176.7-69-176.5-7.300113.6N55Q53-N55 VanDerWaalsContact C-N 3.26Å; Q53-N55 PolarHBondContact O-N 3.41Å
54N88.4Confident92.7Very high119 Ų11963 Ų6364%0.63633%0.333SS*.THydrogen-bonded Turntrans-86.612.7176.166.3-8.8000113.2E52 S56E52-N54 WeakPolarHBondContact CB-OD1 3.39Å; E52-N54 PolarHBondContact O-N 3.24Å; E52-N54 VanDerWaalsContact O-N 3.14Å; N54-S56 PolarHBondContact O-N 3.37Å; N54-S56 WeakPolarHBondContact OD1-CB 3.32Å; N54-S56 PolarHBondContact OD1-N 3.46Å; N54-S56 PolarHBondContact OD1-OG 3.01Å
55N87Confident93.2Very high107 Ų10762.1 Ų62.157%0.57233%0.326SS*.SBendtrans63.49.8-173.9-66.8-25.3000116E52 Q53E52-N55 WeakPolarHBondContact O-CA 3.27Å; E52-N55 PolarHBondContact O-N 2.88Å; Q53-N55 VanDerWaalsContact C-N 3.26Å; Q53-N55 PolarHBondContact O-N 3.41Å
56S92.3Very high93.6Very high43 Ų4356.5 Ų56.530%0.30130%0.295SS..PPolyproline II helixtrans-69.3156.316972.30000110.5F51 E52 N54F51-S56 CarbonylContact C-O 3.56Å; F51-S56 VanDerWaalsContact CA-O 3.31Å; F51-S56 WeakPolarHBondContact CA-O 3.45Å; E52-S56 PolarHBondContact N-O 3.49Å; N54-S56 PolarHBondContact O-N 3.37Å; N54-S56 WeakPolarHBondContact OD1-CB 3.32Å; N54-S56 PolarHBondContact OD1-N 3.46Å; N54-S56 PolarHBondContact OD1-OG 3.01Å
57L94.1Very high93.9Very high33 Ų3354.9 Ų54.917%0.17328%0.283CS..BIsolated β-bridgetrans-63.2143.8172.2-64.7178.1000110.7F51 F61 T63 L134 H137F51-L57 HydrophobicContact CD1-CD2 3.94Å; F51-L57 HydrophobicContact CE1-CD2 3.57Å; L57-F61 HydrophobicContact CD1-CD1 4Å; L57-F61 HydrophobicContact CD2-CD1 4.25Å; L57-T63 HydrophobicContact CD1-CG2 3.56Å; L57-L134 HydrophobicContact CD2-CD2 3.55Å; L57-H137 HydrophobicContact CD1-CB 3.4Å; L57-H137 VanDerWaalsContact CD1-CB 3.4Å; L57-H137 HydrophobicContact CD2-CB 4.22Å; L57-H137 HydrophobicContact CG-CB 3.84Å
58N93.3Very high94.1Very high4 Ų454.8 Ų54.82%0.02128%0.283CS..PPolyproline II helixtrans-59138.1164.4179.7-53000109.6M38 E48 P49 L50 N60 F61M38-N58 HydrophobicContact CE-CB 3.76Å; M38-N58 WeakPolarHBondContact CE-OD1 3.04Å; M38-N58 HydrophobicContact SD-CB 4.4Å; E48-N58 WeakPolarHBondContact CB-ND2 3.12Å; E48-N58 PolarHBondContact OE2-ND2 3.22Å; E48-N58 PolarHBondContact OE2-OD1 2.87Å; P49-N58 VanDerWaalsContact O-CB 3.3Å; P49-N58 WeakPolarHBondContact O-CB 3.25Å; P49-N58 PolarHBondContact O-ND2 3.38Å; P49-N58 VanDerWaalsContact O-ND2 3.07Å; L50-N58 PolarHBondContact O-N 3.01Å; L50-N58 VanDerWaalsContact O-N 3.16Å; N58-N60 PolarHBondContact O-N 2.79Å; N58-N60 VanDerWaalsContact O-N 3.14Å; N58-N60 WeakPolarHBondContact OD1-CB 3.42Å; N58-N60 PolarHBondContact OD1-N 3.3Å; N58-F61 WeakPolarHBondContact O-CB 2.84Å; N58-F61 PolarHBondContact O-N 2.03Å
59V92.1Very high94.3Very high131 Ų13152.3 Ų52.379%0.79427%0.271SS*.THydrogen-bonded Turntrans-58.1-26.1-177-61.90000114.3
60N93.7Very high94.4Very high38 Ų3851.4 Ų51.420%0.20327%0.265CS..THydrogen-bonded Turntrans-81-16177.4-70.1-49.2000112.6M38 T40 N42 E48 N58M38-N60 HydrophobicContact CE-CB 3.86Å; T40-N60 HydrophobicContact CG2-CB 4.28Å; N42-N60 PolarHBondContact ND2-OD1 3.04Å; E48-N60 PolarHBondContact OE1-ND2 2.76Å; E48-N60 PolarHBondContact OE2-ND2 3.35Å; N58-N60 PolarHBondContact O-N 2.79Å; N58-N60 VanDerWaalsContact O-N 3.14Å; N58-N60 WeakPolarHBondContact OD1-CB 3.42Å; N58-N60 PolarHBondContact OD1-N 3.3Å
61F96.5Very high94.6Very high15 Ų1551.2 Ų51.27%0.06626%0.264CS..  trans-77.8127.1178.3-170.9-90.9000111.3M38 L50 L57 N58 T63 T67 N98 I100 L134M38-F61 HydrophobicContact SD-CB 3.65Å; M38-F61 HydrophobicContact SD-CD2 3.68Å; M38-F61 HydrophobicContact SD-CG 4.15Å; L50-F61 HydrophobicContact CD1-CD2 3.54Å; L50-F61 HydrophobicContact CD1-CE2 3.81Å; L50-F61 HydrophobicContact CD1-CG 4.21Å; L57-F61 HydrophobicContact CD1-CD1 4Å; L57-F61 HydrophobicContact CD2-CD1 4.25Å; N58-F61 WeakPolarHBondContact O-CB 2.84Å; N58-F61 PolarHBondContact O-N 2.03Å; F61-T63 HydrophobicContact CD1-CG2 4.05Å; F61-T63 HydrophobicContact CE1-CG2 3.78Å; F61-T67 HydrophobicContact CE2-CG2 4.1Å; F61-T67 HydrophobicContact CZ-CG2 4.41Å; F61-N98 HydrophobicContact CD2-CB 4Å; F61-N98 HydrophobicContact CE2-CB 3.77Å; F61-N98 WeakPolarHBondContact CE2-ND2 3.44Å; F61-I100 HydrophobicContact CE2-CD1 4.22Å; F61-L134 HydrophobicContact CD1-CD2 4.39Å; F61-L134 HydrophobicContact CE1-CD2 3.84Å; F61-L134 HydrophobicContact CE2-CD2 4.33Å; F61-L134 HydrophobicContact CZ-CD1 4.43Å; F61-L134 HydrophobicContact CZ-CD2 3.81Å
62N96.8Very high94.7Very high62 Ų6250.2 Ų50.233%0.33226%0.26SS..  trans-114.4117.4174.9-174.6-38000111.2Q64 K65 N98N62-Q64 PolarHBondContact O-N 3.28Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.36Å; N62-Q64 PolarHBondContact OD1-N 2.78Å; N62-K65 HydrophobicContact CB-CB 4.3Å; N62-K65 HydrophobicContact CB-CD 3.81Å; N62-K65 HydrophobicContact CB-CG 3.84Å; N62-K65 PolarHBondContact O-N 2.78Å; N62-N98 PolarHBondContact N-OD1 2.91Å; N62-N98 PolarHBondContact O-ND2 3.03Å
63T96.9Very high94.9Very high26 Ų2647.9 Ų47.916%0.1625%0.251CS..THydrogen-bonded Turntrans-67.6-22-175.455.30000114.3L57 F61 H137 A139L57-T63 HydrophobicContact CD1-CG2 3.56Å; F61-T63 HydrophobicContact CD1-CG2 4.05Å; F61-T63 HydrophobicContact CE1-CG2 3.78Å; T63-H137 HydrophobicContact CG2-CB 4.5Å; T63-H137 WeakPolarHBondContact CG2-O 3.36Å; T63-A139 HydrophobicContact CG2-CB 4.34Å
64Q96.2Very high95.3Very high138 Ų13841.2 Ų41.265%0.64522%0.219SC*.THydrogen-bonded Turntrans-84.5-18.8178.6-54.7-52.3-54.700112.4N62 N143N62-Q64 PolarHBondContact O-N 3.28Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.36Å; N62-Q64 PolarHBondContact OD1-N 2.78Å; Q64-N143 PolarHBondContact O-ND2 3.05Å
65K97Very high95.3Very high54 Ų5436.7 Ų36.724%0.23519%0.193CC..SBendtrans-78.7154.6178.7-68.1-175.5-176.2178.80111.7N62 T67 D96N62-K65 HydrophobicContact CB-CB 4.3Å; N62-K65 HydrophobicContact CB-CD 3.81Å; N62-K65 HydrophobicContact CB-CG 3.84Å; N62-K65 PolarHBondContact O-N 2.78Å; K65-T67 PolarHBondContact O-N 2.81Å; K65-D96 WeakPolarHBondContact CE-OD2 3.4Å; K65-D96 IonicContact NZ-OD1 2.68Å; K65-D96 PolarHBondContact NZ-OD1 2.87Å; K65-D96 IonicContact NZ-OD2 2.66Å; K65-D96 PolarHBondContact NZ-OD2 2.95Å
66K97.7Very high95.3Very high35 Ų3533.8 Ų33.815%0.15218%0.179CC..  trans-54.9137.5166.6-174.8177.7176.8-176.20109.6M97 N98 H145 Y263K66-M97 HydrophobicContact CB-CB 4.23Å; K66-M97 WeakPolarHBondContact O-CA 3.3Å; K66-M97 WeakPolarHBondContact O-CB 3.49Å; K66-N98 PolarHBondContact O-N 2.96Å; K66-H145 PolarHBondContact NZ-ND1 3.44Å; K66-H145 VanDerWaalsContact NZ-ND1 3.18Å; K66-Y263 VanDerWaalsContact NZ-CE2 3.32Å; K66-Y263 PolarHBondContact NZ-OH 2.82Å
67T98.5Very high95Very high1 Ų134.7 Ų34.71%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-121.4114.2176.9-57.80000110.1F61 K65 N98 I100 N143 F144 H145F61-T67 HydrophobicContact CE2-CG2 4.1Å; F61-T67 HydrophobicContact CZ-CG2 4.41Å; K65-T67 PolarHBondContact O-N 2.81Å; T67-N98 CarbonylContact C-O 3.35Å; T67-N98 VanDerWaalsContact CA-O 3.31Å; T67-N98 WeakPolarHBondContact CA-O 2.94Å; T67-N98 HydrophobicContact CG2-CB 4.1Å; T67-N98 PolarHBondContact OG1-ND2 2.85Å; T67-I100 HydrophobicContact CG2-CD1 3.49Å; T67-I100 VanDerWaalsContact CG2-CD1 3.49Å; T67-I100 HydrophobicContact CG2-CG1 4.1Å; T67-N143 PolarHBondContact N-O 2.73Å; T67-F144 HydrophobicContact CG2-CD1 4.34Å; T67-F144 HydrophobicContact CG2-CE1 4.27Å; T67-F144 WeakPolarHBondContact O-CA 3.45Å; T67-H145 PolarHBondContact O-N 2.9Å
68V98.7Very high94.5Very high0 Ų033.1 Ų33.10%018%0.175CC..EExtended strand (participates in β ladder)trans-93.6123.5177.11760000109.8L91 M97 N98 V99 I100 H145 I147V68-L91 HydrophobicContact CG1-CD1 3.91Å; V68-M97 HydrophobicContact CB-SD 4.29Å; V68-M97 HydrophobicContact CG2-SD 3.52Å; V68-M97 VanDerWaalsContact CG2-SD 3.52Å; V68-N98 PolarHBondContact N-O 3.12Å; V68-V99 HydrophobicContact CB-CG2 4.49Å; V68-I100 PolarHBondContact O-N 2.03Å; V68-H145 CarbonylContact C-O 3.59Å; V68-H145 VanDerWaalsContact CA-O 3.25Å; V68-H145 WeakPolarHBondContact CA-O 3.43Å; V68-H145 HydrophobicContact CG2-CB 4.23Å; V68-I147 HydrophobicContact CG1-CD1 3.65Å; V68-I147 HydrophobicContact CG1-CG1 4.05Å
69W98.8Very high94.2Very high0 Ų035.3 Ų35.30%019%0.191CC..EExtended strand (participates in β ladder)trans-101.3107.3174.7-64.278.9000109.4L36 L50 I100 V102 L127 I131 L134 F144 H145 F146 I147L36-W69 HydrophobicContact CD1-CZ3 4.25Å; L36-W69 HydrophobicContact CD2-CZ3 4.15Å; L50-W69 HydrophobicContact CD2-CH2 4.18Å; W69-I100 CarbonylContact C-O 3.58Å; W69-I100 WeakPolarHBondContact CA-O 3.09Å; W69-I100 HydrophobicContact CD2-CB 4.28Å; W69-I100 HydrophobicContact CD2-CD1 4.07Å; W69-I100 HydrophobicContact CD2-CG2 4.49Å; W69-I100 HydrophobicContact CE3-CB 4.05Å; W69-I100 HydrophobicContact CE3-CD1 4.17Å; W69-I100 HydrophobicContact CE3-CG2 3.77Å; W69-I100 HydrophobicContact CH2-CD1 3.72Å; W69-I100 HydrophobicContact CZ2-CD1 3.6Å; W69-I100 HydrophobicContact CZ3-CB 4.4Å; W69-I100 HydrophobicContact CZ3-CD1 4.01Å; W69-I100 HydrophobicContact CZ3-CG2 3.8Å; W69-V102 HydrophobicContact CE3-CG2 3.91Å; W69-L127 HydrophobicContact CZ3-CD2 4.23Å; W69-I131 HydrophobicContact CH2-CG1 3.93Å; W69-I131 HydrophobicContact CZ2-CG1 3.75Å; W69-L134 HydrophobicContact CH2-CD1 3.86Å; W69-L134 HydrophobicContact CZ2-CD1 3.43Å; W69-L134 VanDerWaalsContact CZ2-CD1 3.43Å; W69-F144 HydrophobicContact CZ2-CE2 4.34Å; W69-F144 AromaticContact NE1-CD2 3.71Å; W69-F144 AromaticContact NE1-CG 3.72Å; W69-H145 PolarHBondContact N-O 2.9Å; W69-F146 HydrophobicContact CB-CD1 3.63Å; W69-F146 HydrophobicContact CB-CD2 4.31Å; W69-F146 HydrophobicContact CB-CE1 3.65Å; W69-F146 HydrophobicContact CB-CE2 4.33Å; W69-F146 HydrophobicContact CB-CG 3.95Å; W69-F146 HydrophobicContact CB-CZ 4Å; W69-F146 AromaticContact CD1-CD2 3.98Å; W69-F146 AromaticContact CD1-CE2 3.5Å; W69-F146 AromaticContact CD1-CZ 3.58Å; W69-F146 HydrophobicContact CD2-CE1 4.01Å; W69-F146 HydrophobicContact CD2-CE2 4.49Å; W69-F146 AromaticContact CD2-CZ 3.79Å; W69-F146 HydrophobicContact CD2-CZ 3.79Å; W69-F146 AromaticContact CE2-CZ 3.98Å; W69-F146 HydrophobicContact CE3-CE1 4.46Å; W69-F146 HydrophobicContact CG-CD1 4.1Å; W69-F146 HydrophobicContact CG-CD2 4.29Å; W69-F146 AromaticContact CG-CE1 3.67Å; W69-F146 HydrophobicContact CG-CE1 3.67Å; W69-F146 AromaticContact CG-CE2 3.88Å; W69-F146 HydrophobicContact CG-CE2 3.88Å; W69-F146 HydrophobicContact CG-CG 4.37Å; W69-F146 AromaticContact CG-CZ 3.52Å; W69-F146 HydrophobicContact CG-CZ 3.52Å; W69-F146 AromaticContact NE1-CE2 3.9Å; W69-F146 AromaticContact NE1-CZ 3.84Å; W69-I147 PolarHBondContact O-N 3.22Å
70L98.6Very high94Very high1 Ų132.2 Ų32.21%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-97.9112.3-177.7-175.856.8000110.2W83 L84 F87 V88 I100 V101 V102 I147L70-W83 HydrophobicContact CD1-CH2 4.48Å; L70-W83 HydrophobicContact CD1-CZ3 4.17Å; L70-W83 HydrophobicContact CD2-CZ3 4.06Å; L70-W83 HydrophobicContact CG-CZ3 4.25Å; L70-L84 HydrophobicContact CD2-CD1 3.73Å; L70-L84 HydrophobicContact CG-CD1 4.34Å; L70-F87 HydrophobicContact CD1-CD1 3.92Å; L70-F87 HydrophobicContact CD1-CE1 3.73Å; L70-F87 HydrophobicContact CD1-CZ 4.43Å; L70-F87 HydrophobicContact CD2-CB 4.41Å; L70-F87 HydrophobicContact CD2-CD1 4.04Å; L70-F87 HydrophobicContact CD2-CG 4.24Å; L70-V88 HydrophobicContact CD2-CG2 4.29Å; L70-I100 PolarHBondContact N-O 2.9Å; L70-V101 HydrophobicContact CD2-CG2 4.42Å; L70-V102 PolarHBondContact O-N 3.38Å; L70-I147 HydrophobicContact CD1-CB 4.05Å; L70-I147 HydrophobicContact CD1-CG2 3.9Å
71I98.6Very high93.8Very high0 Ų030.6 Ų30.60%016%0.161CC..EExtended strand (participates in β ladder)trans-118.6117.4-171.2-45.7-172.2000110.2V102 L127 F146 I147 V149 I155I71-V102 HydrophobicContact CB-CB 4.45Å; I71-V102 HydrophobicContact CD1-CG2 4.28Å; I71-V102 HydrophobicContact CG1-CB 4Å; I71-V102 HydrophobicContact CG1-CG2 3.86Å; I71-V102 HydrophobicContact CG2-CB 4.31Å; I71-V102 HydrophobicContact CG2-CG1 4.41Å; I71-L127 HydrophobicContact CD1-CD1 3.82Å; I71-F146 HydrophobicContact CD1-CD1 3.82Å; I71-F146 HydrophobicContact CD1-CE1 4.17Å; I71-I147 PolarHBondContact N-O 2.99Å; I71-V149 PolarHBondContact O-N 3.32Å; I71-I155 HydrophobicContact CD1-CG2 3.93Å; I71-I155 HydrophobicContact CG2-CB 4.25Å; I71-I155 HydrophobicContact CG2-CD1 4.02Å; I71-I155 HydrophobicContact CG2-CG2 4.21Å
72H96.9Very high93.5Very high5 Ų537.6 Ų37.62%0.02320%0.198CC..  trans-77.2172.9179.471.772.7000113.1F15 R75 P81 V102 D103 W104 S105 V149 G152F15-H72 AromaticContact CE2-CD2 3.72Å; F15-H72 AromaticContact CZ-CD2 3.52Å; F15-H72 AromaticContact CZ-NE2 3.71Å; H72-R75 WeakPolarHBondContact ND1-CD 3.35Å; H72-P81 HydrophobicContact CB-CG 4.38Å; H72-V102 PolarHBondContact CD2-O 2.67Å; H72-D103 IonicContact NE2-OD1 3.24Å; H72-W104 AromaticContact CD2-CD1 3.85Å; H72-W104 AromaticContact CE1-CD1 3.24Å; H72-W104 AromaticContact CE1-CE2 3.72Å; H72-W104 AromaticContact CE1-CG 3.76Å; H72-W104 AromaticContact CE1-NE1 3.21Å; H72-W104 PolarHBondContact CE1-NE1 3.4Å; H72-W104 AromaticContact CG-NE1 3.88Å; H72-W104 AromaticContact ND1-CD1 3.76Å; H72-W104 AromaticContact ND1-CE2 3.93Å; H72-W104 AromaticContact ND1-NE1 3.31Å; H72-W104 PolarHBondContact ND1-NE1 3.13Å; H72-W104 AromaticContact NE2-CD1 3.29Å; H72-W104 VanDerWaalsContact NE2-CD1 3.29Å; H72-W104 AromaticContact NE2-CG 3.91Å; H72-W104 PolarHBondContact NE2-N 3.29Å; H72-W104 AromaticContact NE2-NE1 3.7Å; H72-W104 PolarHBondContact O-NE1 3.34Å; H72-S105 PolarHBondContact NE2-OG 3.38Å; H72-V149 CarbonylContact C-O 3.55Å; H72-G152 WeakPolarHBondContact O-CA 3.21Å; H72-G152 PolarHBondContact O-N 3.12Å
73G94.5Very high93.2Very high9 Ų935.4 Ų35.49%0.09319%0.185CC..  trans-98.2-159.6-177.100000116.3R75 V149G73-R75 WeakPolarHBondContact O-CG 3.08Å; G73-V149 VanDerWaalsContact CA-O 3.29Å; G73-V149 WeakPolarHBondContact CA-O 3.32Å; G73-V149 PolarHBondContact N-O 3.49Å
74Y93.9Very high93.1Very high44 Ų4434.3 Ų34.317%0.17318%0.178CC..  trans-62.9138172.6-177.9-129.7000112P76 A108 T110 F111 Y113 A116 L151 F209Y74-P76 HydrophobicContact CD1-CG 4.28Å; Y74-P76 HydrophobicContact CE1-CB 3.9Å; Y74-P76 HydrophobicContact CE1-CG 3.84Å; Y74-P76 HydrophobicContact CE2-CB 4.49Å; Y74-A108 WeakPolarHBondContact CD2-O 3.45Å; Y74-T110 HydrophobicContact CE2-CG2 3.93Å; Y74-T110 VanDerWaalsContact CE2-O 3.27Å; Y74-T110 WeakPolarHBondContact CE2-O 3.35Å; Y74-T110 VanDerWaalsContact CZ-O 3.31Å; Y74-T110 PolarHBondContact OH-O 3.09Å; Y74-F111 PolarHBondContact OH-O 3.23Å; Y74-Y113 AromaticContact CD1-CD2 3.76Å; Y74-Y113 HydrophobicContact CD1-CD2 3.76Å; Y74-Y113 HydrophobicContact CD1-CE2 4.08Å; Y74-Y113 HydrophobicContact CD2-CD2 4.25Å; Y74-Y113 AromaticContact CE1-CD2 3.74Å; Y74-Y113 HydrophobicContact CE1-CD2 3.74Å; Y74-Y113 HydrophobicContact CE1-CE2 4.5Å; Y74-Y113 HydrophobicContact CE2-CD2 4.23Å; Y74-Y113 HydrophobicContact CG-CD2 4.01Å; Y74-Y113 HydrophobicContact CG-CE2 4.18Å; Y74-Y113 AromaticContact CZ-CD2 3.96Å; Y74-A116 HydrophobicContact CD2-CB 3.55Å; Y74-A116 HydrophobicContact CE2-CB 3.79Å; Y74-L151 HydrophobicContact CD2-CD1 4.38Å; Y74-L151 HydrophobicContact CG-CD1 4.37Å; Y74-F209 HydrophobicContact CD1-CE1 4.37Å
75R89.8Confident93Very high25 Ų2531.9 Ų31.99%0.09417%0.167CC..  trans-140.670.6-172.8-36.8-164.596-118.2-18.1111.3H72 G73 V77 G78 S79 I80 P81 A108 T109H72-R75 WeakPolarHBondContact ND1-CD 3.35Å; G73-R75 WeakPolarHBondContact O-CG 3.08Å; R75-V77 PolarHBondContact O-N 3.1Å; R75-G78 PolarHBondContact NH1-O 3.24Å; R75-G78 PolarHBondContact O-N 3.09Å; R75-S79 PolarHBondContact NH1-O 2.92Å; R75-S79 PolarHBondContact NH2-O 3.14Å; R75-I80 VanDerWaalsContact NH1-CA 3.28Å; R75-P81 VanDerWaalsContact CZ-CD 3.42Å; R75-P81 VanDerWaalsContact NH2-CA 3.32Å; R75-P81 VanDerWaalsContact NH2-CD 3.26Å; R75-P81 VanDerWaalsContact NH2-CG 3.31Å; R75-A108 CarbonylContact C-O 3.25Å; R75-A108 HydrophobicContact CB-CB 4.45Å; R75-A108 HydrophobicContact CG-CB 4.02Å; R75-A108 PolarHBondContact N-O 3.47Å; R75-A108 VanDerWaalsContact N-O 3.13Å; R75-T109 VanDerWaalsContact O-CA 3.28Å; R75-T109 WeakPolarHBondContact O-CA 3.44Å; R75-T109 PolarHBondContact O-OG1 3.45Å
76P86.1Confident92.9Very high45 Ų4532.3 Ų32.329%0.29217%0.172SC..THydrogen-bonded Turntrans-61-12.2-170.425.5-34.8000114.9S23 Y74S23-P76 WeakPolarHBondContact CB-O 3.39Å; S23-P76 PolarHBondContact OG-O 3Å; Y74-P76 HydrophobicContact CD1-CG 4.28Å; Y74-P76 HydrophobicContact CE1-CB 3.9Å; Y74-P76 HydrophobicContact CE1-CG 3.84Å; Y74-P76 HydrophobicContact CE2-CB 4.49Å
77V85.8Confident92.8Very high62 Ų6230.7 Ų30.738%0.37616%0.164SC..THydrogen-bonded Turntrans-120.95.9178.4-59.40000113.4S19 V20 R75 S79S19-V77 CarbonylContact C-O 3.53Å; V20-V77 HydrophobicContact CG2-CB 4.01Å; V20-V77 HydrophobicContact CG2-CG1 3.99Å; R75-V77 PolarHBondContact O-N 3.1Å; V77-S79 PolarHBondContact O-N 2.98Å
78G84.8Confident92.7Very high0 Ų030.7 Ų30.70%016%0.164CC..  trans72.1-12.2175.500000117.2L18 R75 I80L18-G78 CarbonylContact O-C 3.54Å; R75-G78 PolarHBondContact NH1-O 3.24Å; R75-G78 PolarHBondContact O-N 3.09Å; G78-I80 PolarHBondContact O-N 2.59Å
79S86.4Confident92.6Very high51 Ų5138.4 Ų38.436%0.35719%0.193SC..  trans-60.6116-17161.90000114.6R75 V77R75-S79 PolarHBondContact NH1-O 2.92Å; R75-S79 PolarHBondContact NH2-O 3.14Å; V77-S79 PolarHBondContact O-N 2.98Å
80I88.3Confident92.5Very high65 Ų6538.8 Ų38.833%0.33320%0.195SC..  trans-39.4140.9-177.6-53.2-179.7000114.6F15 Q17 R75 G78 L82F15-I80 HydrophobicContact CB-CD1 4.47Å; F15-I80 HydrophobicContact CB-CG2 4.39Å; F15-I80 HydrophobicContact CD1-CB 4.3Å; F15-I80 HydrophobicContact CD1-CG1 3.87Å; F15-I80 HydrophobicContact CD1-CG2 4.05Å; F15-I80 HydrophobicContact CG-CG2 4.2Å; Q17-I80 HydrophobicContact CB-CD1 4.39Å; Q17-I80 HydrophobicContact CG-CD1 4.28Å; R75-I80 VanDerWaalsContact NH1-CA 3.28Å; G78-I80 PolarHBondContact O-N 2.59Å; I80-L82 PolarHBondContact O-N 2.88Å
81P90.1Very high92.4Very high5 Ų538.7 Ų38.73%0.03220%0.195CC..  trans-70.6118.2178.5-518.7000110F15 H72 R75 W83 L84F15-P81 HydrophobicContact CZ-CG 4.28Å; H72-P81 HydrophobicContact CB-CG 4.38Å; R75-P81 VanDerWaalsContact CZ-CD 3.42Å; R75-P81 VanDerWaalsContact NH2-CA 3.32Å; R75-P81 VanDerWaalsContact NH2-CD 3.26Å; R75-P81 VanDerWaalsContact NH2-CG 3.31Å; P81-W83 HydrophobicContact CB-CD2 4Å; P81-W83 HydrophobicContact CB-CG 4.46Å; P81-W83 HydrophobicContact CB-CH2 4.3Å; P81-W83 HydrophobicContact CB-CZ2 3.73Å; P81-W83 HydrophobicContact CG-CZ2 4.27Å; P81-W83 PolarHBondContact O-N 2.76Å; P81-L84 HydrophobicContact CB-CB 4.17Å; P81-L84 HydrophobicContact CG-CB 4.3Å; P81-L84 HydrophobicContact CG-CD2 4.48Å; P81-L84 WeakPolarHBondContact O-CB 3.28Å; P81-L84 PolarHBondContact O-N 3.18Å
82L89.4Confident92.3Very high161 Ų16138.8 Ų38.884%0.84320%0.195SC*.THydrogen-bonded Turntrans-59.6-30-176.7-61.7177.8000113.4I80 L84I80-L82 PolarHBondContact O-N 2.88Å; L82-L84 VanDerWaalsContact C-N 3.31Å; L82-L84 PolarHBondContact O-N 3.14Å
83W91Very high92.2Very high16 Ų1643.3 Ų43.36%0.06122%0.22CC..THydrogen-bonded Turntrans-75.7-14.717851.9-107.5000113.8L70 P81 Q85 N86 F87 V149 V218 M222L70-W83 HydrophobicContact CD1-CH2 4.48Å; L70-W83 HydrophobicContact CD1-CZ3 4.17Å; L70-W83 HydrophobicContact CD2-CZ3 4.06Å; L70-W83 HydrophobicContact CG-CZ3 4.25Å; P81-W83 HydrophobicContact CB-CD2 4Å; P81-W83 HydrophobicContact CB-CG 4.46Å; P81-W83 HydrophobicContact CB-CH2 4.3Å; P81-W83 HydrophobicContact CB-CZ2 3.73Å; P81-W83 HydrophobicContact CG-CZ2 4.27Å; P81-W83 PolarHBondContact O-N 2.76Å; W83-Q85 PolarHBondContact O-N 3.04Å; W83-N86 PolarHBondContact O-N 3.21Å; W83-F87 HydrophobicContact CE3-CB 4.07Å; W83-F87 AromaticContact CE3-CD1 3.69Å; W83-F87 HydrophobicContact CE3-CD1 3.69Å; W83-F87 HydrophobicContact CE3-CG 4.41Å; W83-F87 AromaticContact CZ3-CD1 3.78Å; W83-F87 HydrophobicContact CZ3-CD1 3.78Å; W83-F87 VanDerWaalsContact O-CB 3.29Å; W83-F87 WeakPolarHBondContact O-CB 3.48Å; W83-F87 PolarHBondContact O-N 3.37Å; W83-V149 HydrophobicContact CH2-CG2 3.87Å; W83-V149 HydrophobicContact CZ2-CB 4.41Å; W83-V149 HydrophobicContact CZ2-CG1 4.45Å; W83-V149 HydrophobicContact CZ2-CG2 3.91Å; W83-V218 HydrophobicContact CB-CG1 4.16Å; W83-V218 HydrophobicContact CD2-CG1 3.68Å; W83-V218 HydrophobicContact CE3-CG1 3.93Å; W83-V218 HydrophobicContact CG-CG1 3.77Å; W83-M222 HydrophobicContact CB-SD 4.13Å
84L93.6Very high92.1Very high3 Ų347 Ų472%0.01624%0.235CC..Hα-helixtrans-60.8-53.5-164.6-179.665.4000113.4F15 L70 P81 L82 N86 F87 V88 V101F15-L84 HydrophobicContact CD2-CD2 3.34Å; F15-L84 HydrophobicContact CE2-CD2 3.76Å; F15-L84 HydrophobicContact CG-CD2 4.13Å; L70-L84 HydrophobicContact CD2-CD1 3.73Å; L70-L84 HydrophobicContact CG-CD1 4.34Å; P81-L84 HydrophobicContact CB-CB 4.17Å; P81-L84 HydrophobicContact CG-CB 4.3Å; P81-L84 HydrophobicContact CG-CD2 4.48Å; P81-L84 WeakPolarHBondContact O-CB 3.28Å; P81-L84 PolarHBondContact O-N 3.18Å; L82-L84 VanDerWaalsContact C-N 3.31Å; L82-L84 PolarHBondContact O-N 3.14Å; L84-N86 PolarHBondContact O-N 3.06Å; L84-F87 PolarHBondContact O-N 2.92Å; L84-V88 WeakPolarHBondContact O-CG2 3.46Å; L84-V88 PolarHBondContact O-N 3.2Å; L84-V101 HydrophobicContact CD1-CG1 3.79Å; L84-V101 HydrophobicContact CD1-CG2 4Å; L84-V101 HydrophobicContact CD2-CG1 4.05Å; L84-V101 HydrophobicContact CG-CG1 4.44Å
85Q93.6Very high92Very high88 Ų8848.4 Ų48.441%0.41124%0.243SC..Hα-helixtrans-64.9-41.9-177.5-67.1-58.1-25.600111.3Y39 W83 F87 V88 R89Y39-Q85 PolarHBondContact OH-NE2 3.33Å; W83-Q85 PolarHBondContact O-N 3.04Å; Q85-F87 VanDerWaalsContact C-N 3.32Å; Q85-F87 PolarHBondContact O-N 3.19Å; Q85-V88 PolarHBondContact O-N 2.98Å; Q85-R89 PolarHBondContact O-N 3.3Å
86N95.3Very high92.3Very high63 Ų6350.3 Ų50.334%0.33726%0.255SS..Hα-helixtrans-63.5-39.6175.7-164.937.9000111.5W83 L84 R89 I90 M222W83-N86 PolarHBondContact O-N 3.21Å; L84-N86 PolarHBondContact O-N 3.06Å; N86-R89 PolarHBondContact O-N 3.12Å; N86-I90 VanDerWaalsContact O-CG1 3.28Å; N86-I90 WeakPolarHBondContact O-CG1 3.29Å; N86-I90 PolarHBondContact O-N 3.14Å; N86-M222 HydrophobicContact CB-CE 3.79Å; N86-M222 WeakPolarHBondContact ND2-CE 3.26Å
87F96.5Very high92.8Very high0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-66.1-42.5179.3-161.2174.6000111.8L70 W83 L84 Q85 R89 I90 L91 I147 L173 V218 F221 M222L70-F87 HydrophobicContact CD1-CD1 3.92Å; L70-F87 HydrophobicContact CD1-CE1 3.73Å; L70-F87 HydrophobicContact CD1-CZ 4.43Å; L70-F87 HydrophobicContact CD2-CB 4.41Å; L70-F87 HydrophobicContact CD2-CD1 4.04Å; L70-F87 HydrophobicContact CD2-CG 4.24Å; W83-F87 HydrophobicContact CE3-CB 4.07Å; W83-F87 AromaticContact CE3-CD1 3.69Å; W83-F87 HydrophobicContact CE3-CD1 3.69Å; W83-F87 HydrophobicContact CE3-CG 4.41Å; W83-F87 AromaticContact CZ3-CD1 3.78Å; W83-F87 HydrophobicContact CZ3-CD1 3.78Å; W83-F87 VanDerWaalsContact O-CB 3.29Å; W83-F87 WeakPolarHBondContact O-CB 3.48Å; W83-F87 PolarHBondContact O-N 3.37Å; L84-F87 PolarHBondContact O-N 2.92Å; Q85-F87 VanDerWaalsContact C-N 3.32Å; Q85-F87 PolarHBondContact O-N 3.19Å; F87-R89 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 3.34Å; F87-I90 PolarHBondContact O-N 3.03Å; F87-L91 HydrophobicContact CD2-CD1 3.92Å; F87-L91 HydrophobicContact CD2-CG 3.92Å; F87-L91 HydrophobicContact CE2-CD1 3.95Å; F87-L91 HydrophobicContact CE2-CD2 4.14Å; F87-L91 HydrophobicContact CE2-CG 3.93Å; F87-L91 WeakPolarHBondContact O-CG 3.42Å; F87-L91 PolarHBondContact O-N 2.88Å; F87-I147 HydrophobicContact CE1-CG2 4.19Å; F87-I147 HydrophobicContact CZ-CD1 4.21Å; F87-I147 HydrophobicContact CZ-CG2 4.04Å; F87-L173 HydrophobicContact CE1-CD1 3.97Å; F87-L173 HydrophobicContact CZ-CD1 4.26Å; F87-V218 HydrophobicContact CD1-CG1 3.84Å; F87-V218 HydrophobicContact CE1-CG1 3.94Å; F87-F221 AromaticContact CE2-CD1 3.56Å; F87-F221 HydrophobicContact CE2-CD1 3.56Å; F87-F221 AromaticContact CE2-CE1 3.78Å; F87-F221 HydrophobicContact CE2-CE1 3.78Å; F87-F221 AromaticContact CZ-CD1 3.34Å; F87-F221 HydrophobicContact CZ-CD1 3.34Å; F87-F221 AromaticContact CZ-CE1 3.72Å; F87-F221 HydrophobicContact CZ-CE1 3.72Å; F87-F221 HydrophobicContact CZ-CG 4.23Å; F87-M222 HydrophobicContact CB-CE 4.18Å; F87-M222 HydrophobicContact CB-CG 4.17Å; F87-M222 HydrophobicContact CB-SD 3.85Å; F87-M222 HydrophobicContact CD1-CG 4.16Å; F87-M222 HydrophobicContact CD1-SD 4.24Å; F87-M222 HydrophobicContact CD2-CG 3.6Å; F87-M222 HydrophobicContact CD2-SD 4.41Å; F87-M222 HydrophobicContact CE1-CG 4.48Å; F87-M222 HydrophobicContact CE2-CG 3.98Å; F87-M222 HydrophobicContact CG-CG 3.73Å; F87-M222 HydrophobicContact CG-SD 3.94Å; F87-M222 HydrophobicContact CZ-CG 4.4Å
88V96.6Very high93.4Very high1 Ų145.3 Ų45.31%0.00622%0.224CC..Hα-helixtrans-58.4-46.8173.7172.70000110.7Y39 L70 L84 Q85 I90 L91 L92 V99 V101Y39-V88 HydrophobicContact CD1-CG1 4.08Å; Y39-V88 HydrophobicContact CD2-CG1 3.98Å; Y39-V88 HydrophobicContact CD2-CG2 4.47Å; Y39-V88 HydrophobicContact CG-CG1 3.7Å; L70-V88 HydrophobicContact CD2-CG2 4.29Å; L84-V88 WeakPolarHBondContact O-CG2 3.46Å; L84-V88 PolarHBondContact O-N 3.2Å; Q85-V88 PolarHBondContact O-N 2.98Å; V88-I90 PolarHBondContact O-N 3.35Å; V88-L91 PolarHBondContact O-N 3.49Å; V88-L92 HydrophobicContact CG1-CD1 3.78Å; V88-L92 WeakPolarHBondContact O-CG 3.05Å; V88-L92 PolarHBondContact O-N 3.14Å; V88-V99 HydrophobicContact CG1-CG1 4.24Å; V88-V99 HydrophobicContact CG2-CG1 4.16Å; V88-V101 HydrophobicContact CG2-CG2 3.63Å
89R96.3Very high94Very high162 Ų16245.3 Ų45.361%0.61122%0.224SC*.Hα-helixtrans-58.9-48.2177.4-179.2-179.8174.6180-3.5112.2Q85 N86 F87 L91 L92 N93Q85-R89 PolarHBondContact O-N 3.3Å; N86-R89 PolarHBondContact O-N 3.12Å; F87-R89 VanDerWaalsContact C-N 3.33Å; F87-R89 PolarHBondContact O-N 3.34Å; R89-L91 VanDerWaalsContact C-N 3.33Å; R89-L91 PolarHBondContact O-N 2.96Å; R89-L92 PolarHBondContact O-N 3.26Å; R89-N93 WeakPolarHBondContact O-CB 3.07Å; R89-N93 VanDerWaalsContact O-CG 3.23Å; R89-N93 PolarHBondContact O-N 2.88Å
90I96.3Very high94.6Very high8 Ų842.9 Ų42.94%0.04121%0.207CC..Hα-helixtrans-60.4-43.3179.5-69.5167.9000111N86 F87 V88 L92 N93 E94 M222 L225 E226N86-I90 VanDerWaalsContact O-CG1 3.28Å; N86-I90 WeakPolarHBondContact O-CG1 3.29Å; N86-I90 PolarHBondContact O-N 3.14Å; F87-I90 PolarHBondContact O-N 3.03Å; V88-I90 PolarHBondContact O-N 3.35Å; I90-L92 PolarHBondContact O-N 2.96Å; I90-N93 PolarHBondContact O-N 2Å; I90-E94 PolarHBondContact O-N 2.92Å; I90-E94 VanDerWaalsContact O-N 3.12Å; I90-M222 HydrophobicContact CD1-CB 3.9Å; I90-M222 HydrophobicContact CD1-CE 3.44Å; I90-M222 VanDerWaalsContact CD1-CE 3.44Å; I90-M222 HydrophobicContact CD1-CG 4.16Å; I90-L225 HydrophobicContact CG2-CB 3.42Å; I90-L225 VanDerWaalsContact CG2-CB 3.42Å; I90-L225 HydrophobicContact CG2-CD1 3.87Å; I90-L225 HydrophobicContact CG2-CG 4.27Å; I90-E226 HydrophobicContact CD1-CB 4.15Å; I90-E226 HydrophobicContact CD1-CG 4.44Å; I90-E226 WeakPolarHBondContact CD1-OE2 3.36Å; I90-E226 HydrophobicContact CG1-CB 4.38Å; I90-E226 HydrophobicContact CG1-CG 4.5Å; I90-E226 HydrophobicContact CG2-CB 4.38Å
91L96.6Very high95.1Very high0 Ų039.9 Ų39.90%019%0.191CC..Hα-helixtrans-61.9-44.7177.7-73.3167.7000112V68 F87 V88 R89 N93 E94 M97 V99 I147 L225V68-L91 HydrophobicContact CG1-CD1 3.91Å; F87-L91 HydrophobicContact CD2-CD1 3.92Å; F87-L91 HydrophobicContact CD2-CG 3.92Å; F87-L91 HydrophobicContact CE2-CD1 3.95Å; F87-L91 HydrophobicContact CE2-CD2 4.14Å; F87-L91 HydrophobicContact CE2-CG 3.93Å; F87-L91 WeakPolarHBondContact O-CG 3.42Å; F87-L91 PolarHBondContact O-N 2.88Å; V88-L91 PolarHBondContact O-N 3.49Å; R89-L91 VanDerWaalsContact C-N 3.33Å; R89-L91 PolarHBondContact O-N 2.96Å; L91-N93 VanDerWaalsContact C-N 3.3Å; L91-N93 PolarHBondContact O-N 2.88Å; L91-E94 WeakPolarHBondContact O-CB 3.4Å; L91-E94 PolarHBondContact O-N 2.74Å; L91-M97 HydrophobicContact CB-SD 4.03Å; L91-M97 WeakPolarHBondContact O-CE 3.41Å; L91-V99 HydrophobicContact CB-CG2 4.05Å; L91-V99 HydrophobicContact CD1-CG1 4.38Å; L91-V99 HydrophobicContact CD1-CG2 4.44Å; L91-I147 HydrophobicContact CD2-CD1 4.25Å; L91-L225 HydrophobicContact CD2-CD1 3.9Å
92L96Very high95.5Very high1 Ų139.7 Ų39.71%0.00519%0.19CC..Hα-helixtrans-71.6-25.3-179.4-68.4169.4000112.9R41 L44 V88 R89 I90 M97 V99R41-L92 PolarHBondContact NE-O 2.88Å; R41-L92 PolarHBondContact NH2-O 2.82Å; R41-L92 VanDerWaalsContact NH2-O 3.12Å; L44-L92 HydrophobicContact CD2-CB 3.87Å; L44-L92 HydrophobicContact CD2-CD1 3.6Å; L44-L92 HydrophobicContact CD2-CG 4.34Å; V88-L92 HydrophobicContact CG1-CD1 3.78Å; V88-L92 WeakPolarHBondContact O-CG 3.05Å; V88-L92 PolarHBondContact O-N 3.14Å; R89-L92 PolarHBondContact O-N 3.26Å; I90-L92 PolarHBondContact O-N 2.96Å; L92-M97 HydrophobicContact CD2-CG 4.07Å; L92-M97 VanDerWaalsContact CD2-O 3.31Å; L92-M97 WeakPolarHBondContact CD2-O 3.25Å; L92-V99 HydrophobicContact CD1-CG2 4.5Å; L92-V99 HydrophobicContact CD2-CB 4.46Å; L92-V99 HydrophobicContact CD2-CG2 3.7Å; L92-V99 HydrophobicContact CG-CG2 3.86Å
93N95.1Very high95.9Very high100 Ų10032 Ų3254%0.53515%0.15SC..Hα-helixtrans-71.5-36.9172-74.1-8.7000112.2R41 R89 I90 L91R41-N93 PolarHBondContact NH2-O 2.81Å; R89-N93 WeakPolarHBondContact O-CB 3.07Å; R89-N93 VanDerWaalsContact O-CG 3.23Å; R89-N93 PolarHBondContact O-N 2.88Å; I90-N93 PolarHBondContact O-N 2Å; L91-N93 VanDerWaalsContact C-N 3.3Å; L91-N93 PolarHBondContact O-N 2.88Å
94E92.3Very high96.2Very high88 Ų8831.3 Ų31.341%0.41115%0.147SC..Hα-helixtrans-63.5-51-178.6174.467.7-174.400112.7I90 L91 L225 Y263I90-E94 PolarHBondContact O-N 2.92Å; I90-E94 VanDerWaalsContact O-N 3.12Å; L91-E94 WeakPolarHBondContact O-CB 3.4Å; L91-E94 PolarHBondContact O-N 2.74Å; E94-L225 HydrophobicContact CB-CD2 3.96Å; E94-L225 HydrophobicContact CG-CD2 3.55Å; E94-Y263 HydrophobicContact CG-CD1 4.21Å; E94-Y263 HydrophobicContact CG-CE1 3.63Å; E94-Y263 WeakPolarHBondContact OE1-CE1 3.3Å
95E91.8Very high96.3Very high73 Ų7331.1 Ų31.134%0.34115%0.146SC..SBendtrans-151152.3-173.9172.4-177.6-173.100109.6M97 Y263E95-M97 HydrophobicContact CB-CE 3.59Å; E95-M97 HydrophobicContact CG-CE 4.31Å; E95-M97 PolarHBondContact O-N 3.2Å; E95-Y263 PolarHBondContact OE2-OH 3.45Å
96D95.6Very high96.3Very high65 Ų6531 Ų3135%0.34814%0.142SC..SBendtrans-73.899.7175.4-173.710.4000109.9K65K65-D96 WeakPolarHBondContact CE-OD2 3.4Å; K65-D96 IonicContact NZ-OD1 2.68Å; K65-D96 PolarHBondContact NZ-OD1 2.87Å; K65-D96 IonicContact NZ-OD2 2.66Å; K65-D96 PolarHBondContact NZ-OD2 2.95Å
97M97.2Very high96.3Very high1 Ų128 Ų281%0.00513%0.126CC..  trans-137.8164.2-171.269.4-179.673.200111.9K66 V68 L91 L92 E95 V99K66-M97 HydrophobicContact CB-CB 4.23Å; K66-M97 WeakPolarHBondContact O-CA 3.3Å; K66-M97 WeakPolarHBondContact O-CB 3.49Å; V68-M97 HydrophobicContact CB-SD 4.29Å; V68-M97 HydrophobicContact CG2-SD 3.52Å; V68-M97 VanDerWaalsContact CG2-SD 3.52Å; L91-M97 HydrophobicContact CB-SD 4.03Å; L91-M97 WeakPolarHBondContact O-CE 3.41Å; L92-M97 HydrophobicContact CD2-CG 4.07Å; L92-M97 VanDerWaalsContact CD2-O 3.31Å; L92-M97 WeakPolarHBondContact CD2-O 3.25Å; E95-M97 HydrophobicContact CB-CE 3.59Å; E95-M97 HydrophobicContact CG-CE 4.31Å; E95-M97 PolarHBondContact O-N 3.2Å; M97-V99 HydrophobicContact CG-CG2 3.92Å; M97-V99 HydrophobicContact SD-CG2 4Å
98N98.3Very high96.2Very high1 Ų128 Ų281%0.00513%0.126CC..EExtended strand (participates in β ladder)trans-87.7132.1163.9-44.3-58000108.5F61 N62 K66 T67 V68F61-N98 HydrophobicContact CD2-CB 4Å; F61-N98 HydrophobicContact CE2-CB 3.77Å; F61-N98 WeakPolarHBondContact CE2-ND2 3.44Å; N62-N98 PolarHBondContact N-OD1 2.91Å; N62-N98 PolarHBondContact O-ND2 3.03Å; K66-N98 PolarHBondContact O-N 2.96Å; T67-N98 CarbonylContact C-O 3.35Å; T67-N98 VanDerWaalsContact CA-O 3.31Å; T67-N98 WeakPolarHBondContact CA-O 2.94Å; T67-N98 HydrophobicContact CG2-CB 4.1Å; T67-N98 PolarHBondContact OG1-ND2 2.85Å; V68-N98 PolarHBondContact N-O 3.12Å
99V98.4Very high96Very high0 Ų028 Ų280%013%0.126CC..EExtended strand (participates in β ladder)trans-114.9121.1171.6178.60000108.8M38 Y39 V68 V88 L91 L92 M97M38-V99 CarbonylContact C-O 3.57Å; M38-V99 WeakPolarHBondContact CA-O 3.35Å; Y39-V99 PolarHBondContact N-O 2.88Å; Y39-V99 PolarHBondContact O-N 3.06Å; V68-V99 HydrophobicContact CB-CG2 4.49Å; V88-V99 HydrophobicContact CG1-CG1 4.24Å; V88-V99 HydrophobicContact CG2-CG1 4.16Å; L91-V99 HydrophobicContact CB-CG2 4.05Å; L91-V99 HydrophobicContact CD1-CG1 4.38Å; L91-V99 HydrophobicContact CD1-CG2 4.44Å; L92-V99 HydrophobicContact CD1-CG2 4.5Å; L92-V99 HydrophobicContact CD2-CB 4.46Å; L92-V99 HydrophobicContact CD2-CG2 3.7Å; L92-V99 HydrophobicContact CG-CG2 3.86Å; M97-V99 HydrophobicContact CG-CG2 3.92Å; M97-V99 HydrophobicContact SD-CG2 4Å
100I98.5Very high95.9Very high0 Ų020.3 Ų20.30%010%0.097CC..EExtended strand (participates in β ladder)trans-111.7109.6177.1-57.8168000108L36 M37 L50 F61 T67 V68 W69 L70L36-I100 HydrophobicContact CB-CG2 4.15Å; L36-I100 HydrophobicContact CD2-CG2 4.21Å; M37-I100 CarbonylContact O-C 3.57Å; M37-I100 WeakPolarHBondContact O-CA 3.05Å; L50-I100 HydrophobicContact CD1-CD1 3.83Å; L50-I100 HydrophobicContact CD1-CG1 4.32Å; L50-I100 HydrophobicContact CD2-CD1 3.98Å; F61-I100 HydrophobicContact CE2-CD1 4.22Å; T67-I100 HydrophobicContact CG2-CD1 3.49Å; T67-I100 VanDerWaalsContact CG2-CD1 3.49Å; T67-I100 HydrophobicContact CG2-CG1 4.1Å; V68-I100 PolarHBondContact O-N 2.03Å; W69-I100 CarbonylContact C-O 3.58Å; W69-I100 WeakPolarHBondContact CA-O 3.09Å; W69-I100 HydrophobicContact CD2-CB 4.28Å; W69-I100 HydrophobicContact CD2-CD1 4.07Å; W69-I100 HydrophobicContact CD2-CG2 4.49Å; W69-I100 HydrophobicContact CE3-CB 4.05Å; W69-I100 HydrophobicContact CE3-CD1 4.17Å; W69-I100 HydrophobicContact CE3-CG2 3.77Å; W69-I100 HydrophobicContact CH2-CD1 3.72Å; W69-I100 HydrophobicContact CZ2-CD1 3.6Å; W69-I100 HydrophobicContact CZ3-CB 4.4Å; W69-I100 HydrophobicContact CZ3-CD1 4.01Å; W69-I100 HydrophobicContact CZ3-CG2 3.8Å; L70-I100 PolarHBondContact N-O 2.9Å
101V98.4Very high95.7Very high2 Ų224 Ų241%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-82.4123.2169.7178.30000108.7F15 M37 Y39 L70 L84 V88F15-V101 HydrophobicContact CD2-CG1 4.37Å; F15-V101 HydrophobicContact CE2-CG1 4.4Å; M37-V101 HydrophobicContact CB-CB 4.18Å; M37-V101 HydrophobicContact CE-CB 4.07Å; M37-V101 HydrophobicContact CE-CG1 3.65Å; M37-V101 PolarHBondContact N-O 3.21Å; M37-V101 PolarHBondContact O-N 2.85Å; Y39-V101 HydrophobicContact CD2-CG2 4.1Å; Y39-V101 HydrophobicContact CE2-CB 4.38Å; Y39-V101 HydrophobicContact CE2-CG2 3.84Å; L70-V101 HydrophobicContact CD2-CG2 4.42Å; L84-V101 HydrophobicContact CD1-CG1 3.79Å; L84-V101 HydrophobicContact CD1-CG2 4Å; L84-V101 HydrophobicContact CD2-CG1 4.05Å; L84-V101 HydrophobicContact CG-CG1 4.44Å; V88-V101 HydrophobicContact CG2-CG2 3.63Å
102V98.4Very high95.5Very high0 Ų027.2 Ų27.20%013%0.13CC..EExtended strand (participates in β ladder)trans-94.9101.3176.8-178.50000108.8T34 L36 W69 L70 I71 H72 L127T34-V102 HydrophobicContact CG2-CG1 3.63Å; L36-V102 HydrophobicContact CD2-CG1 4.37Å; L36-V102 HydrophobicContact CD2-CG2 4Å; W69-V102 HydrophobicContact CE3-CG2 3.91Å; L70-V102 PolarHBondContact O-N 3.38Å; I71-V102 HydrophobicContact CB-CB 4.45Å; I71-V102 HydrophobicContact CD1-CG2 4.28Å; I71-V102 HydrophobicContact CG1-CB 4Å; I71-V102 HydrophobicContact CG1-CG2 3.86Å; I71-V102 HydrophobicContact CG2-CB 4.31Å; I71-V102 HydrophobicContact CG2-CG1 4.41Å; H72-V102 PolarHBondContact CD2-O 2.67Å; V102-L127 HydrophobicContact CG1-CD1 4.22Å; V102-L127 HydrophobicContact CG1-CD2 3.84Å; V102-L127 HydrophobicContact CG1-CG 4.49Å; V102-L127 HydrophobicContact CG2-CD1 4.42Å; V102-L127 HydrophobicContact CG2-CD2 3.98Å
103D97.6Very high95.4Very high1 Ų128.9 Ų28.91%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-89.7107.1171.517719.5000110.2F15 S16 T34 I35 M37 H72 S105F15-D103 HydrophobicContact CD2-CB 4.03Å; F15-D103 HydrophobicContact CE2-CB 3.84Å; F15-D103 HydrophobicContact CZ-CB 4.31Å; F15-D103 WeakPolarHBondContact CZ-OD1 3.28Å; S16-D103 WeakPolarHBondContact CA-OD2 3.03Å; S16-D103 WeakPolarHBondContact CB-OD2 3.38Å; S16-D103 PolarHBondContact N-OD2 3.15Å; S16-D103 PolarHBondContact OG-OD2 3.39Å; T34-D103 CarbonylContact C-O 3.54Å; T34-D103 WeakPolarHBondContact CA-O 3.41Å; I35-D103 HydrophobicContact CB-CB 4.3Å; I35-D103 PolarHBondContact N-O 2.65Å; I35-D103 PolarHBondContact O-N 2.89Å; M37-D103 HydrophobicContact CE-CB 3.53Å; H72-D103 IonicContact NE2-OD1 3.24Å; D103-S105 WeakPolarHBondContact OD1-CB 3.5Å; D103-S105 PolarHBondContact OD1-N 3.05Å; D103-S105 PolarHBondContact OD1-OG 3.22Å
104W97.4Very high95.3Very high0 Ų027.2 Ų27.20%013%0.127CC..  trans-114.626.9172.869.7-75.3000110.9H72 R106 G107 A108 N119 T120 V123 L151 I155H72-W104 AromaticContact CD2-CD1 3.85Å; H72-W104 AromaticContact CE1-CD1 3.24Å; H72-W104 AromaticContact CE1-CE2 3.72Å; H72-W104 AromaticContact CE1-CG 3.76Å; H72-W104 AromaticContact CE1-NE1 3.21Å; H72-W104 PolarHBondContact CE1-NE1 3.4Å; H72-W104 AromaticContact CG-NE1 3.88Å; H72-W104 AromaticContact ND1-CD1 3.76Å; H72-W104 AromaticContact ND1-CE2 3.93Å; H72-W104 AromaticContact ND1-NE1 3.31Å; H72-W104 PolarHBondContact ND1-NE1 3.13Å; H72-W104 AromaticContact NE2-CD1 3.29Å; H72-W104 VanDerWaalsContact NE2-CD1 3.29Å; H72-W104 AromaticContact NE2-CG 3.91Å; H72-W104 PolarHBondContact NE2-N 3.29Å; H72-W104 AromaticContact NE2-NE1 3.7Å; H72-W104 PolarHBondContact O-NE1 3.34Å; W104-R106 PolarHBondContact O-N 3.29Å; W104-R106 VanDerWaalsContact O-N 3.1Å; W104-G107 WeakPolarHBondContact CZ3-O 3.49Å; W104-G107 WeakPolarHBondContact O-CA 3.28Å; W104-G107 PolarHBondContact O-N 3.16Å; W104-A108 HydrophobicContact CD2-CB 3.86Å; W104-A108 HydrophobicContact CE3-CB 3.66Å; W104-A108 HydrophobicContact CH2-CB 3.53Å; W104-A108 HydrophobicContact CZ2-CB 3.72Å; W104-A108 VanDerWaalsContact CZ3-CA 3.49Å; W104-A108 HydrophobicContact CZ3-CB 3.5Å; W104-A108 PolarHBondContact O-N 2.74Å; W104-N119 HydrophobicContact CZ3-CB 4.35Å; W104-T120 HydrophobicContact CH2-CG2 4.46Å; W104-V123 HydrophobicContact CB-CG1 4.13Å; W104-V123 HydrophobicContact CB-CG2 3.87Å; W104-V123 HydrophobicContact CD2-CG2 4.14Å; W104-V123 HydrophobicContact CE3-CG2 3.88Å; W104-V123 HydrophobicContact CG-CG1 4.34Å; W104-V123 HydrophobicContact CG-CG2 4.16Å; W104-L151 HydrophobicContact CH2-CB 4.2Å; W104-L151 HydrophobicContact CH2-CD1 3.86Å; W104-L151 HydrophobicContact CZ2-CB 4.04Å; W104-L151 HydrophobicContact CZ2-CD1 4.44Å; W104-I155 HydrophobicContact CD2-CD1 3.94Å; W104-I155 HydrophobicContact CE3-CD1 4.49Å; W104-I155 HydrophobicContact CG-CD1 4.36Å; W104-I155 HydrophobicContact CH2-CD1 4.37Å; W104-I155 HydrophobicContact CZ2-CD1 3.8Å
105S95.9Very high95.5Very high0 Ų025.7 Ų25.70%012%0.118CC..Hα-helixtrans-55.7-32.5-173.6-64.20000113F15 H72 D103 G107 A108 T109F15-S105 WeakPolarHBondContact CE1-OG 3.34Å; F15-S105 VanDerWaalsContact CZ-OG 3.24Å; F15-S105 WeakPolarHBondContact CZ-OG 3.02Å; H72-S105 PolarHBondContact NE2-OG 3.38Å; D103-S105 WeakPolarHBondContact OD1-CB 3.5Å; D103-S105 PolarHBondContact OD1-N 3.05Å; D103-S105 PolarHBondContact OD1-OG 3.22Å; S105-G107 VanDerWaalsContact C-N 3.27Å; S105-G107 PolarHBondContact O-N 3.4Å; S105-A108 PolarHBondContact O-N 2.82Å; S105-A108 VanDerWaalsContact O-N 3.13Å; S105-T109 WeakPolarHBondContact O-CB 3.37Å; S105-T109 PolarHBondContact O-N 3.28Å; S105-T109 PolarHBondContact O-OG1 2.82Å
106R94Very high95.7Very high84 Ų8422.2 Ų22.232%0.31710%0.101SC..Hα-helixtrans-58.5-37.3173.4-71.5-69.4-174.3-164.6-5.3112.7L18 D22 R31 E33 W104L18-R106 HydrophobicContact CD1-CG 4.39Å; L18-R106 VanDerWaalsContact CD2-NH1 3.32Å; D22-R106 IonicContact OD1-NH1 2.74Å; D22-R106 PolarHBondContact OD1-NH1 3.5Å; R31-R106 CarbonylContact O-C 3.57Å; E33-R106 HydrophobicContact CB-CB 4.06Å; E33-R106 HydrophobicContact CB-CG 4.09Å; W104-R106 PolarHBondContact O-N 3.29Å; W104-R106 VanDerWaalsContact O-N 3.1Å
107G94.4Very high95.7Very high0 Ų020.2 Ų20.20%09%0.091CC..Hα-helixtrans-87.5-15175.300000114.9W104 S105 N119W104-G107 WeakPolarHBondContact CZ3-O 3.49Å; W104-G107 WeakPolarHBondContact O-CA 3.28Å; W104-G107 PolarHBondContact O-N 3.16Å; S105-G107 VanDerWaalsContact C-N 3.27Å; S105-G107 PolarHBondContact O-N 3.4Å; G107-N119 PolarHBondContact O-ND2 3.47Å
108A94.8Very high95.7Very high0 Ų027.6 Ų27.60%012%0.123CC..Hα-helixtrans-98.9-18.9-177.600000114.1Y74 R75 W104 S105 T110Y74-A108 WeakPolarHBondContact CD2-O 3.45Å; R75-A108 CarbonylContact C-O 3.25Å; R75-A108 HydrophobicContact CB-CB 4.45Å; R75-A108 HydrophobicContact CG-CB 4.02Å; R75-A108 PolarHBondContact N-O 3.47Å; R75-A108 VanDerWaalsContact N-O 3.13Å; W104-A108 HydrophobicContact CD2-CB 3.86Å; W104-A108 HydrophobicContact CE3-CB 3.66Å; W104-A108 HydrophobicContact CH2-CB 3.53Å; W104-A108 HydrophobicContact CZ2-CB 3.72Å; W104-A108 VanDerWaalsContact CZ3-CA 3.49Å; W104-A108 HydrophobicContact CZ3-CB 3.5Å; W104-A108 PolarHBondContact O-N 2.74Å; S105-A108 PolarHBondContact O-N 2.82Å; S105-A108 VanDerWaalsContact O-N 3.13Å; A108-T110 PolarHBondContact O-N 3.17Å
109T93.8Very high95.7Very high3 Ų327.9 Ų27.92%0.01813%0.125CC..  trans-92.986.7-175.5-54.40000110.1L18 D22 S23 R75 S105L18-T109 HydrophobicContact CB-CG2 4.19Å; L18-T109 HydrophobicContact CD1-CG2 4.32Å; D22-T109 HydrophobicContact CB-CG2 4.28Å; S23-T109 WeakPolarHBondContact OG-CG2 3.33Å; R75-T109 VanDerWaalsContact O-CA 3.28Å; R75-T109 WeakPolarHBondContact O-CA 3.44Å; R75-T109 PolarHBondContact O-OG1 3.45Å; S105-T109 WeakPolarHBondContact O-CB 3.37Å; S105-T109 PolarHBondContact O-N 3.28Å; S105-T109 PolarHBondContact O-OG1 2.82Å
110T92.6Very high95.7Very high0 Ų028 Ų280%013%0.126CC..  trans-153.9150.9-176.9-176.20000108.8D26 Y74 A108 I112 R115 A116D26-T110 WeakPolarHBondContact OD2-CB 3.3Å; D26-T110 PolarHBondContact OD2-OG1 3.3Å; Y74-T110 HydrophobicContact CE2-CG2 3.93Å; Y74-T110 VanDerWaalsContact CE2-O 3.27Å; Y74-T110 WeakPolarHBondContact CE2-O 3.35Å; Y74-T110 VanDerWaalsContact CZ-O 3.31Å; Y74-T110 PolarHBondContact OH-O 3.09Å; A108-T110 PolarHBondContact O-N 3.17Å; T110-I112 VanDerWaalsContact C-N 3.31Å; T110-I112 WeakPolarHBondContact CG2-O 3.38Å; T110-I112 PolarHBondContact OG1-N 3.02Å; T110-R115 HydrophobicContact CG2-CB 4.44Å; T110-A116 HydrophobicContact CG2-CB 3.85Å
111F92.1Very high95.7Very high84 Ų8434 Ų3437%0.36815%0.148SC..SBendtrans-80.8-15.7168.6-65-55.5000112.7V20 F24 Y74 Y113V20-F111 HydrophobicContact CG1-CZ 3.68Å; F24-F111 HydrophobicContact CD1-CE2 4.05Å; F24-F111 AromaticContact CD2-CE2 3.89Å; F24-F111 HydrophobicContact CD2-CE2 3.89Å; F24-F111 HydrophobicContact CD2-CZ 4.42Å; F24-F111 AromaticContact CE1-CE2 3.98Å; F24-F111 HydrophobicContact CE1-CE2 3.98Å; F24-F111 AromaticContact CE2-CE2 3.82Å; F24-F111 HydrophobicContact CE2-CE2 3.82Å; F24-F111 HydrophobicContact CE2-CZ 4.1Å; F24-F111 HydrophobicContact CG-CE2 4Å; F24-F111 AromaticContact CZ-CE2 3.86Å; F24-F111 HydrophobicContact CZ-CE2 3.86Å; F24-F111 HydrophobicContact CZ-CZ 4.31Å; Y74-F111 PolarHBondContact OH-O 3.23Å; F111-Y113 PolarHBondContact O-N 2.86Å
112I92.8Very high95.6Very high68 Ų6840 Ų4035%0.34917%0.174SC..  trans-91.190.3-177.8-53.7-176.6000108.6L27 T110 N114 R115 A116L27-I112 HydrophobicContact CD2-CD1 3.71Å; L27-I112 HydrophobicContact CD2-CG1 3.76Å; T110-I112 VanDerWaalsContact C-N 3.31Å; T110-I112 WeakPolarHBondContact CG2-O 3.38Å; T110-I112 PolarHBondContact OG1-N 3.02Å; I112-N114 HydrophobicContact CG2-CB 4.47Å; I112-N114 PolarHBondContact O-N 2.77Å; I112-N114 VanDerWaalsContact O-N 3.12Å; I112-R115 HydrophobicContact CB-CB 3.99Å; I112-R115 HydrophobicContact CG2-CB 3.94Å; I112-R115 WeakPolarHBondContact O-CA 3.41Å; I112-R115 WeakPolarHBondContact O-CB 3.49Å; I112-R115 PolarHBondContact O-N 2.83Å; I112-A116 PolarHBondContact O-N 3.06Å
113Y93.3Very high95.7Very high36 Ų3640 Ų4014%0.14117%0.174CC..Hα-helixtrans-51.1-41.7-178.4-178-101.2000113.3Y74 F111 R115 A116 V117 L151 P178 R179 F209Y74-Y113 AromaticContact CD1-CD2 3.76Å; Y74-Y113 HydrophobicContact CD1-CD2 3.76Å; Y74-Y113 HydrophobicContact CD1-CE2 4.08Å; Y74-Y113 HydrophobicContact CD2-CD2 4.25Å; Y74-Y113 AromaticContact CE1-CD2 3.74Å; Y74-Y113 HydrophobicContact CE1-CD2 3.74Å; Y74-Y113 HydrophobicContact CE1-CE2 4.5Å; Y74-Y113 HydrophobicContact CE2-CD2 4.23Å; Y74-Y113 HydrophobicContact CG-CD2 4.01Å; Y74-Y113 HydrophobicContact CG-CE2 4.18Å; Y74-Y113 AromaticContact CZ-CD2 3.96Å; F111-Y113 PolarHBondContact O-N 2.86Å; Y113-R115 PolarHBondContact O-N 2.83Å; Y113-A116 WeakPolarHBondContact O-CB 3.41Å; Y113-A116 PolarHBondContact O-N 3.1Å; Y113-A116 VanDerWaalsContact O-N 3.13Å; Y113-V117 HydrophobicContact CD1-CG2 3.75Å; Y113-V117 HydrophobicContact CE1-CG2 3.33Å; Y113-V117 HydrophobicContact CE2-CG2 4.47Å; Y113-V117 HydrophobicContact CG-CG2 4.47Å; Y113-V117 WeakPolarHBondContact O-CG2 3.18Å; Y113-V117 PolarHBondContact O-N 3.13Å; Y113-L151 HydrophobicContact CE2-CD1 4.38Å; Y113-L151 HydrophobicContact CE2-CD2 4.42Å; Y113-P178 HydrophobicContact CE1-CB 3.73Å; Y113-P178 PolarHBondContact OH-O 3.49Å; Y113-R179 HydrophobicContact CE1-CG 4.22Å; Y113-F209 HydrophobicContact CD2-CZ 4.28Å; Y113-F209 HydrophobicContact CE2-CE1 4.46Å; Y113-F209 HydrophobicContact CE2-CZ 4.06Å
114N94.5Very high95.7Very high65 Ų6540 Ų4035%0.34818%0.175SC..Hα-helixtrans-59.9-28.6177.1-71.9-19.8000113.5I112 K118 R179I112-N114 HydrophobicContact CG2-CB 4.47Å; I112-N114 PolarHBondContact O-N 2.77Å; I112-N114 VanDerWaalsContact O-N 3.12Å; N114-K118 WeakPolarHBondContact O-CG 3.41Å; N114-K118 PolarHBondContact O-N 2.76Å; N114-R179 PolarHBondContact ND2-NH2 2.76Å; N114-R179 VanDerWaalsContact ND2-NH2 3.18Å; N114-R179 PolarHBondContact OD1-NE 3.5Å; N114-R179 PolarHBondContact OD1-NH2 2.96Å
115R95.2Very high95.8Very high56 Ų5644 Ų4421%0.21120%0.199CC..Hα-helixtrans-70.8-48.6175.2-176.5-179.8-71.9165.9-9110D26 T110 I112 Y113 V117 K118 N119D26-R115 VanDerWaalsContact C-NH1 3.32Å; D26-R115 PolarHBondContact O-NH1 2.79Å; D26-R115 VanDerWaalsContact OD2-CD 3.27Å; D26-R115 WeakPolarHBondContact OD2-CD 3.43Å; D26-R115 IonicContact OD2-CZ 2.72Å; D26-R115 IonicContact OD2-NE 3.92Å; D26-R115 IonicContact OD2-NH1 2.96Å; D26-R115 PolarHBondContact OD2-NH1 2.82Å; T110-R115 HydrophobicContact CG2-CB 4.44Å; I112-R115 HydrophobicContact CB-CB 3.99Å; I112-R115 HydrophobicContact CG2-CB 3.94Å; I112-R115 WeakPolarHBondContact O-CA 3.41Å; I112-R115 WeakPolarHBondContact O-CB 3.49Å; I112-R115 PolarHBondContact O-N 2.83Å; Y113-R115 PolarHBondContact O-N 2.83Å; R115-V117 VanDerWaalsContact C-N 3.28Å; R115-V117 PolarHBondContact O-N 2.92Å; R115-K118 PolarHBondContact O-N 3.13Å; R115-K118 VanDerWaalsContact O-N 3.09Å; R115-N119 PolarHBondContact O-N 2.96Å; R115-N119 PolarHBondContact O-ND2 2.92Å; R115-N119 PolarHBondContact O-OD1 3.37Å
116A96.3Very high95.9Very high0 Ų045.9 Ų45.90%021%0.212CC..Hα-helixtrans-56.7-42.6173.700000111.7Y74 T110 I112 Y113 K118 N119 T120 L151Y74-A116 HydrophobicContact CD2-CB 3.55Å; Y74-A116 HydrophobicContact CE2-CB 3.79Å; T110-A116 HydrophobicContact CG2-CB 3.85Å; I112-A116 PolarHBondContact O-N 3.06Å; Y113-A116 WeakPolarHBondContact O-CB 3.41Å; Y113-A116 PolarHBondContact O-N 3.1Å; Y113-A116 VanDerWaalsContact O-N 3.13Å; A116-K118 PolarHBondContact O-N 2.98Å; A116-N119 WeakPolarHBondContact O-CB 3.41Å; A116-N119 PolarHBondContact O-N 3.16Å; A116-T120 WeakPolarHBondContact O-CG2 3.48Å; A116-T120 PolarHBondContact O-N 3.49Å; A116-L151 HydrophobicContact CB-CD1 3.78Å
117V96.4Very high96.1Very high23 Ų2341.9 Ų41.914%0.13920%0.197CC..Hα-helixtrans-57.2-48.6173.5170.60000111.6Y113 R115 N119 T120 L151 R179 F180Y113-V117 HydrophobicContact CD1-CG2 3.75Å; Y113-V117 HydrophobicContact CE1-CG2 3.33Å; Y113-V117 HydrophobicContact CE2-CG2 4.47Å; Y113-V117 HydrophobicContact CG-CG2 4.47Å; Y113-V117 WeakPolarHBondContact O-CG2 3.18Å; Y113-V117 PolarHBondContact O-N 3.13Å; R115-V117 VanDerWaalsContact C-N 3.28Å; R115-V117 PolarHBondContact O-N 2.92Å; V117-N119 VanDerWaalsContact C-N 3.3Å; V117-N119 PolarHBondContact O-N 2.81Å; V117-T120 WeakPolarHBondContact O-CB 3.46Å; V117-T120 PolarHBondContact O-N 2.85Å; V117-T120 PolarHBondContact O-OG1 2.95Å; V117-L151 HydrophobicContact CG2-CD2 4.07Å; V117-R179 HydrophobicContact CG1-CB 4.01Å; V117-R179 HydrophobicContact CG2-CB 4.2Å; V117-R179 HydrophobicContact CG2-CG 4.27Å; V117-F180 HydrophobicContact CB-CZ 4.49Å; V117-F180 HydrophobicContact CG1-CE2 4.01Å; V117-F180 HydrophobicContact CG1-CZ 3.77Å; V117-F180 HydrophobicContact CG2-CE2 3.97Å; V117-F180 HydrophobicContact CG2-CZ 4.4Å
118K96.6Very high96.3Very high156 Ų15642.3 Ų42.368%0.67820%0.2SC*.Hα-helixtrans-63.4-36.8177.2-74.4176.9179.4-176.80112.2N114 R115 A116 T120 R121N114-K118 WeakPolarHBondContact O-CG 3.41Å; N114-K118 PolarHBondContact O-N 2.76Å; R115-K118 PolarHBondContact O-N 3.13Å; R115-K118 VanDerWaalsContact O-N 3.09Å; A116-K118 PolarHBondContact O-N 2.98Å; K118-T120 PolarHBondContact O-N 3.04Å; K118-R121 PolarHBondContact O-N 2.96Å
119N97.9Very high96.4Very high8 Ų846.7 Ų46.74%0.04323%0.226CC..Hα-helixtrans-65.1-27.4-179.3-68.1-10.3000112.5I32 W104 G107 R115 A116 V117 R121 K122 V123I32-N119 HydrophobicContact CD1-CB 4.09Å; I32-N119 WeakPolarHBondContact CD1-OD1 3.3Å; W104-N119 HydrophobicContact CZ3-CB 4.35Å; G107-N119 PolarHBondContact O-ND2 3.47Å; R115-N119 PolarHBondContact O-N 2.96Å; R115-N119 PolarHBondContact O-ND2 2.92Å; R115-N119 PolarHBondContact O-OD1 3.37Å; A116-N119 WeakPolarHBondContact O-CB 3.41Å; A116-N119 PolarHBondContact O-N 3.16Å; V117-N119 VanDerWaalsContact C-N 3.3Å; V117-N119 PolarHBondContact O-N 2.81Å; N119-R121 PolarHBondContact O-N 2.95Å; N119-K122 WeakPolarHBondContact O-CB 3.32Å; N119-K122 PolarHBondContact O-N 3.07Å; N119-V123 WeakPolarHBondContact O-CG2 2.94Å; N119-V123 PolarHBondContact O-N 3.38Å
120T98.3Very high96.6Very high2 Ų249.1 Ų49.11%0.01224%0.237CC..Hα-helixtrans-52.2-40.6177.262.30000113.4W104 A116 V117 K118 V123 A124 L151 I155 F158W104-T120 HydrophobicContact CH2-CG2 4.46Å; A116-T120 WeakPolarHBondContact O-CG2 3.48Å; A116-T120 PolarHBondContact O-N 3.49Å; V117-T120 WeakPolarHBondContact O-CB 3.46Å; V117-T120 PolarHBondContact O-N 2.85Å; V117-T120 PolarHBondContact O-OG1 2.95Å; K118-T120 PolarHBondContact O-N 3.04Å; T120-V123 PolarHBondContact O-N 2.82Å; T120-A124 PolarHBondContact O-N 2.6Å; T120-L151 HydrophobicContact CG2-CB 4.02Å; T120-L151 HydrophobicContact CG2-CD1 4.39Å; T120-L151 HydrophobicContact CG2-CD2 4.3Å; T120-L151 HydrophobicContact CG2-CG 4.48Å; T120-I155 HydrophobicContact CG2-CD1 4.24Å; T120-I155 HydrophobicContact CG2-CG1 3.86Å; T120-F158 VanDerWaalsContact OG1-CE2 3.31Å; T120-F158 WeakPolarHBondContact OG1-CE2 3.37Å
121R98.1Very high96.8Very high126 Ų12649.1 Ų49.148%0.47524%0.237SC..Hα-helixtrans-68-40.1176.7-71.3-174.2175.1138.7-1.7112.4K118 N119 V123 A124 V125 F158 S187K118-R121 PolarHBondContact O-N 2.96Å; N119-R121 PolarHBondContact O-N 2.95Å; R121-V123 VanDerWaalsContact C-N 3.34Å; R121-A124 PolarHBondContact O-N 2.8Å; R121-V125 WeakPolarHBondContact O-CG2 3.47Å; R121-V125 PolarHBondContact O-N 3.2Å; R121-F158 HydrophobicContact CG-CD2 3.99Å; R121-F158 HydrophobicContact CG-CE1 4.46Å; R121-F158 HydrophobicContact CG-CE2 3.92Å; R121-F158 HydrophobicContact CG-CG 4.31Å; R121-F158 HydrophobicContact CG-CZ 4.17Å; R121-S187 PolarHBondContact NH2-OG 3Å
122K98.1Very high97.1Very high128 Ų12850.5 Ų50.556%0.55724%0.243SC*.Hα-helixtrans-64.3-41.9177.6-65-179.5173.8-175.50111I32 N119 V125 S126I32-K122 HydrophobicContact CD1-CB 4.4Å; I32-K122 HydrophobicContact CD1-CD 3.38Å; N119-K122 WeakPolarHBondContact O-CB 3.32Å; N119-K122 PolarHBondContact O-N 3.07Å; K122-V125 PolarHBondContact O-N 3.4Å; K122-S126 PolarHBondContact O-N 2.61Å
123V98.6Very high97.3Very high0 Ų048.9 Ų48.90%024%0.235CC..Hα-helixtrans-62.1-45.81741780000110.3I32 T34 W104 N119 T120 R121 V125 S126 L127 I155I32-V123 HydrophobicContact CG2-CG2 4.4Å; T34-V123 HydrophobicContact CG2-CG1 4.46Å; W104-V123 HydrophobicContact CB-CG1 4.13Å; W104-V123 HydrophobicContact CB-CG2 3.87Å; W104-V123 HydrophobicContact CD2-CG2 4.14Å; W104-V123 HydrophobicContact CE3-CG2 3.88Å; W104-V123 HydrophobicContact CG-CG1 4.34Å; W104-V123 HydrophobicContact CG-CG2 4.16Å; N119-V123 WeakPolarHBondContact O-CG2 2.94Å; N119-V123 PolarHBondContact O-N 3.38Å; T120-V123 PolarHBondContact O-N 2.82Å; R121-V123 VanDerWaalsContact C-N 3.34Å; V123-V125 VanDerWaalsContact C-N 3.32Å; V123-V125 PolarHBondContact O-N 3.45Å; V123-S126 WeakPolarHBondContact O-CB 3.26Å; V123-S126 PolarHBondContact O-N 3.33Å; V123-S126 VanDerWaalsContact O-N 3.13Å; V123-L127 HydrophobicContact CG1-CD1 4.14Å; V123-L127 HydrophobicContact CG1-CG 4.22Å; V123-L127 WeakPolarHBondContact O-CG 2.96Å; V123-L127 PolarHBondContact O-N 3.38Å; V123-I155 HydrophobicContact CB-CD1 4.17Å; V123-I155 HydrophobicContact CB-CG2 4.41Å; V123-I155 HydrophobicContact CG1-CD1 4.06Å; V123-I155 HydrophobicContact CG1-CG2 3.93Å
124A98.7Very high97.5Very high1 Ų147.2 Ų47.21%0.00823%0.229CC..Hα-helixtrans-59.6-40.4177.200000113.2T120 R121 L127 S128 I155 F158 V159 I162T120-A124 PolarHBondContact O-N 2.6Å; R121-A124 PolarHBondContact O-N 2.8Å; A124-L127 PolarHBondContact O-N 3.07Å; A124-S128 PolarHBondContact O-N 3.07Å; A124-I155 HydrophobicContact CB-CG2 4.42Å; A124-F158 HydrophobicContact CB-CB 3.48Å; A124-F158 VanDerWaalsContact CB-CB 3.48Å; A124-V159 HydrophobicContact CB-CG2 3.81Å; A124-I162 HydrophobicContact CB-CD1 4.3Å
125V98.5Very high97.7Very high85 Ų8546.8 Ų46.852%0.51523%0.226SC..Hα-helixtrans-62-47.4173.2172.20000110.7R121 K122 V123 L127 S128 V129 I162R121-V125 WeakPolarHBondContact O-CG2 3.47Å; R121-V125 PolarHBondContact O-N 3.2Å; K122-V125 PolarHBondContact O-N 3.4Å; V123-V125 VanDerWaalsContact C-N 3.32Å; V123-V125 PolarHBondContact O-N 3.45Å; V125-L127 PolarHBondContact O-N 2.8Å; V125-S128 WeakPolarHBondContact O-CB 3.49Å; V125-S128 PolarHBondContact O-N 2.84Å; V125-S128 VanDerWaalsContact O-N 3.14Å; V125-S128 PolarHBondContact O-OG 3.5Å; V125-V129 PolarHBondContact O-N 3.17Å; V125-I162 HydrophobicContact CG2-CD1 4.37Å
126S98.1Very high97.8Very high39 Ų3952.6 Ų52.627%0.27325%0.253SS..Hα-helixtrans-56.4-48.5175.8-1800000111.9K122 V123 S128 V129 H130K122-S126 PolarHBondContact O-N 2.61Å; V123-S126 WeakPolarHBondContact O-CB 3.26Å; V123-S126 PolarHBondContact O-N 3.33Å; V123-S126 VanDerWaalsContact O-N 3.13Å; S126-S128 VanDerWaalsContact C-N 3.28Å; S126-S128 PolarHBondContact O-N 3.26Å; S126-V129 WeakPolarHBondContact O-CB 3.13Å; S126-V129 PolarHBondContact O-N 2.81Å; S126-V129 VanDerWaalsContact O-N 3.17Å; S126-H130 PolarHBondContact O-ND1 2.97Å
127L98.6Very high97.8Very high0 Ų056.2 Ų56.20%027%0.27CS..Hα-helixtrans-60.2-37.6177-67.1-179.8000112.2T34 L36 W69 I71 V102 V123 A124 V125 V129 H130 I131 I155 V159T34-L127 HydrophobicContact CG2-CD2 4.03Å; L36-L127 HydrophobicContact CD2-CD2 3.68Å; W69-L127 HydrophobicContact CZ3-CD2 4.23Å; I71-L127 HydrophobicContact CD1-CD1 3.82Å; V102-L127 HydrophobicContact CG1-CD1 4.22Å; V102-L127 HydrophobicContact CG1-CD2 3.84Å; V102-L127 HydrophobicContact CG1-CG 4.49Å; V102-L127 HydrophobicContact CG2-CD1 4.42Å; V102-L127 HydrophobicContact CG2-CD2 3.98Å; V123-L127 HydrophobicContact CG1-CD1 4.14Å; V123-L127 HydrophobicContact CG1-CG 4.22Å; V123-L127 WeakPolarHBondContact O-CG 2.96Å; V123-L127 PolarHBondContact O-N 3.38Å; A124-L127 PolarHBondContact O-N 3.07Å; V125-L127 PolarHBondContact O-N 2.8Å; L127-V129 PolarHBondContact O-N 3.14Å; L127-H130 PolarHBondContact O-N 3.12Å; L127-I131 HydrophobicContact CB-CD1 4.46Å; L127-I131 WeakPolarHBondContact O-CD1 3.41Å; L127-I131 WeakPolarHBondContact O-CG1 3.45Å; L127-I131 PolarHBondContact O-N 3.17Å; L127-I155 HydrophobicContact CD1-CG2 3.81Å; L127-V159 HydrophobicContact CB-CG2 4.02Å; L127-V159 HydrophobicContact CD1-CG2 4Å
128S98.4Very high97.8Very high8 Ų857.2 Ų57.26%0.05629%0.285CS..Hα-helixtrans-62.1-31178.880.40000113.5A124 V125 S126 K132A124-S128 PolarHBondContact O-N 3.07Å; V125-S128 WeakPolarHBondContact O-CB 3.49Å; V125-S128 PolarHBondContact O-N 2.84Å; V125-S128 VanDerWaalsContact O-N 3.14Å; V125-S128 PolarHBondContact O-OG 3.5Å; S126-S128 VanDerWaalsContact C-N 3.28Å; S126-S128 PolarHBondContact O-N 3.26Å; S128-K132 WeakPolarHBondContact O-CB 3.48Å; S128-K132 VanDerWaalsContact O-CG 3.25Å; S128-K132 WeakPolarHBondContact O-CG 3.16Å; S128-K132 PolarHBondContact O-N 3.01Å
129V97.6Very high97.9Very high92 Ų9250.2 Ų50.256%0.55826%0.256SS*.Hα-helixtrans-66.1-46.8175.8-178.50000110.3V125 S126 L127 K132 N133V125-V129 PolarHBondContact O-N 3.17Å; S126-V129 WeakPolarHBondContact O-CB 3.13Å; S126-V129 PolarHBondContact O-N 2.81Å; S126-V129 VanDerWaalsContact O-N 3.17Å; L127-V129 PolarHBondContact O-N 3.14Å; V129-K132 PolarHBondContact O-N 2.99Å; V129-N133 PolarHBondContact O-N 2.86Å; V129-N133 VanDerWaalsContact O-N 3.09Å
130H97.2Very high97.9Very high54 Ų5452.1 Ų52.125%0.2527%0.27CS..Hα-helixtrans-65.3-42.3178.4-61.789.5000111.7L36 F51 S126 L127 N133 L134L36-H130 HydrophobicContact CD1-CB 3.77Å; F51-H130 HydrophobicContact CE2-CB 4.03Å; F51-H130 AromaticContact CE2-CD2 3.75Å; S126-H130 PolarHBondContact O-ND1 2.97Å; L127-H130 PolarHBondContact O-N 3.12Å; H130-N133 WeakPolarHBondContact O-CA 3.42Å; H130-N133 WeakPolarHBondContact O-CB 3.46Å; H130-N133 PolarHBondContact O-N 3.05Å; H130-N133 VanDerWaalsContact O-N 3.11Å; H130-L134 PolarHBondContact O-N 3.44Å
131I98.3Very high97.9Very high0 Ų052.9 Ų52.90%027%0.274CS..Hα-helixtrans-60.8-47.4175.4-69.8159.4000110.8W69 L127 N133 L134 L135 L141 F144 F146 V159 F163W69-I131 HydrophobicContact CH2-CG1 3.93Å; W69-I131 HydrophobicContact CZ2-CG1 3.75Å; L127-I131 HydrophobicContact CB-CD1 4.46Å; L127-I131 WeakPolarHBondContact O-CD1 3.41Å; L127-I131 WeakPolarHBondContact O-CG1 3.45Å; L127-I131 PolarHBondContact O-N 3.17Å; I131-N133 PolarHBondContact O-N 3.32Å; I131-L134 WeakPolarHBondContact O-CB 3.23Å; I131-L134 PolarHBondContact O-N 3.15Å; I131-L135 HydrophobicContact CG2-CD1 4.5Å; I131-L135 HydrophobicContact CG2-CG 4.4Å; I131-L135 WeakPolarHBondContact O-CG 3.33Å; I131-L135 PolarHBondContact O-N 2.83Å; I131-L141 HydrophobicContact CG2-CD2 3.69Å; I131-F144 HydrophobicContact CG1-CE2 4.29Å; I131-F144 HydrophobicContact CG2-CD2 4.5Å; I131-F144 HydrophobicContact CG2-CE2 3.88Å; I131-F146 HydrophobicContact CD1-CE1 4.44Å; I131-F146 HydrophobicContact CD1-CZ 3.7Å; I131-V159 HydrophobicContact CD1-CG1 3.42Å; I131-V159 VanDerWaalsContact CD1-CG1 3.42Å; I131-F163 HydrophobicContact CB-CE2 3.91Å; I131-F163 HydrophobicContact CB-CZ 3.65Å; I131-F163 HydrophobicContact CD1-CE2 3.75Å; I131-F163 HydrophobicContact CD1-CZ 4.39Å; I131-F163 HydrophobicContact CG1-CE2 4.47Å; I131-F163 HydrophobicContact CG2-CD2 4.38Å; I131-F163 HydrophobicContact CG2-CE1 3.75Å; I131-F163 HydrophobicContact CG2-CE2 3.61Å; I131-F163 HydrophobicContact CG2-CZ 3.25Å
132K98.3Very high97.8Very high114 Ų11450.5 Ų50.550%0.49627%0.27SS..Hα-helixtrans-56.4-36.4175.1-76172.1-178.8-179.50111.7S128 V129 L135 K136 F163S128-K132 WeakPolarHBondContact O-CB 3.48Å; S128-K132 VanDerWaalsContact O-CG 3.25Å; S128-K132 WeakPolarHBondContact O-CG 3.16Å; S128-K132 PolarHBondContact O-N 3.01Å; V129-K132 PolarHBondContact O-N 2.99Å; K132-L135 PolarHBondContact O-N 3.13Å; K132-K136 WeakPolarHBondContact O-CG 3.36Å; K132-K136 PolarHBondContact O-N 3.13Å; K132-F163 HydrophobicContact CG-CE1 4.02Å; K132-F163 HydrophobicContact CG-CZ 4.11Å
133N96.8Very high97.8Very high34 Ų3447 Ų4718%0.18226%0.258CS..Hα-helixtrans-67.6-40.9174.5-162.430.2000112.5F51 V129 H130 I131 L135 K136 H137F51-N133 WeakPolarHBondContact CD1-ND2 3.39Å; F51-N133 HydrophobicContact CE1-CB 4.08Å; F51-N133 WeakPolarHBondContact CE1-ND2 3.48Å; F51-N133 HydrophobicContact CZ-CB 3.86Å; V129-N133 PolarHBondContact O-N 2.86Å; V129-N133 VanDerWaalsContact O-N 3.09Å; H130-N133 WeakPolarHBondContact O-CA 3.42Å; H130-N133 WeakPolarHBondContact O-CB 3.46Å; H130-N133 PolarHBondContact O-N 3.05Å; H130-N133 VanDerWaalsContact O-N 3.11Å; I131-N133 PolarHBondContact O-N 3.32Å; N133-L135 VanDerWaalsContact C-N 3.31Å; N133-L135 PolarHBondContact O-N 3.24Å; N133-K136 WeakPolarHBondContact O-CB 3.06Å; N133-K136 PolarHBondContact O-N 2.72Å; N133-H137 PolarHBondContact O-N 2.66Å; N133-H137 PolarHBondContact O-ND1 3.27Å; N133-H137 PolarHBondContact OD1-CE1 3.31Å
134L97.9Very high97.8Very high0 Ų047.1 Ų47.10%026%0.259CS..Hα-helixtrans-60.7-40.3173.6-66.9171.5000112.2L50 F51 L57 F61 W69 H130 I131 K136 H137 G138 A139 F144L50-L134 HydrophobicContact CD1-CD2 4.13Å; L50-L134 HydrophobicContact CD2-CD1 4.2Å; L50-L134 HydrophobicContact CD2-CD2 4.24Å; L50-L134 HydrophobicContact CD2-CG 4.45Å; L50-L134 HydrophobicContact CG-CD2 4.3Å; F51-L134 HydrophobicContact CE1-CD2 4.01Å; F51-L134 HydrophobicContact CE1-CG 4.48Å; F51-L134 HydrophobicContact CZ-CD2 3.84Å; F51-L134 HydrophobicContact CZ-CG 3.92Å; L57-L134 HydrophobicContact CD2-CD2 3.55Å; F61-L134 HydrophobicContact CD1-CD2 4.39Å; F61-L134 HydrophobicContact CE1-CD2 3.84Å; F61-L134 HydrophobicContact CE2-CD2 4.33Å; F61-L134 HydrophobicContact CZ-CD1 4.43Å; F61-L134 HydrophobicContact CZ-CD2 3.81Å; W69-L134 HydrophobicContact CH2-CD1 3.86Å; W69-L134 HydrophobicContact CZ2-CD1 3.43Å; W69-L134 VanDerWaalsContact CZ2-CD1 3.43Å; H130-L134 PolarHBondContact O-N 3.44Å; I131-L134 WeakPolarHBondContact O-CB 3.23Å; I131-L134 PolarHBondContact O-N 3.15Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 2.96Å; L134-H137 CarbonylContact O-C 3.58Å; L134-H137 PolarHBondContact O-N 2.9Å; L134-H137 VanDerWaalsContact O-N 3.07Å; L134-G138 PolarHBondContact O-N 2.7Å; L134-A139 HydrophobicContact CB-CB 3.88Å; L134-A139 VanDerWaalsContact O-CB 3.31Å; L134-A139 WeakPolarHBondContact O-CB 2.97Å; L134-A139 PolarHBondContact O-N 2.79Å; L134-F144 HydrophobicContact CB-CZ 4.28Å; L134-F144 HydrophobicContact CD1-CE2 4.39Å; L134-F144 HydrophobicContact CD1-CZ 3.85Å
135L97.8Very high97.8Very high57 Ų5747.2 Ų47.230%0.29826%0.259SS..Hα-helixtrans-62.7-38.7176.8-60.6-176.8000111.8I131 K132 N133 H137 G138 A139 L141 F163I131-L135 HydrophobicContact CG2-CD1 4.5Å; I131-L135 HydrophobicContact CG2-CG 4.4Å; I131-L135 WeakPolarHBondContact O-CG 3.33Å; I131-L135 PolarHBondContact O-N 2.83Å; K132-L135 PolarHBondContact O-N 3.13Å; N133-L135 VanDerWaalsContact C-N 3.31Å; N133-L135 PolarHBondContact O-N 3.24Å; L135-H137 PolarHBondContact O-N 3.24Å; L135-G138 PolarHBondContact O-N 2.68Å; L135-A139 WeakPolarHBondContact CD2-O 3.33Å; L135-L141 HydrophobicContact CD1-CD1 4.37Å; L135-L141 HydrophobicContact CD1-CD2 4.05Å; L135-L141 HydrophobicContact CD1-CG 4.12Å; L135-L141 HydrophobicContact CD2-CD2 3.89Å; L135-L141 HydrophobicContact CD2-CG 3.88Å; L135-L141 HydrophobicContact CG-CD2 4.38Å; L135-F163 HydrophobicContact CD1-CE1 4.28Å
136K96.8Very high97.8Very high177 Ų17743.1 Ų43.177%0.7723%0.234SC*.Hα-helixtrans-60.5-29.2173.8-70.6177.4179.9-174.50112.7K132 N133 L134 G138K132-K136 WeakPolarHBondContact O-CG 3.36Å; K132-K136 PolarHBondContact O-N 3.13Å; N133-K136 WeakPolarHBondContact O-CB 3.06Å; N133-K136 PolarHBondContact O-N 2.72Å; L134-K136 VanDerWaalsContact C-N 3.32Å; L134-K136 PolarHBondContact O-N 2.96Å; K136-G138 VanDerWaalsContact C-N 3.3Å
137H96.4Very high97.8Very high76 Ų7641.3 Ų41.335%0.35222%0.221SC..THydrogen-bonded Turntrans-89.48.2176-66.386.5000113.3L57 T63 N133 L134 L135L57-H137 HydrophobicContact CD1-CB 3.4Å; L57-H137 VanDerWaalsContact CD1-CB 3.4Å; L57-H137 HydrophobicContact CD2-CB 4.22Å; L57-H137 HydrophobicContact CG-CB 3.84Å; T63-H137 HydrophobicContact CG2-CB 4.5Å; T63-H137 WeakPolarHBondContact CG2-O 3.36Å; N133-H137 PolarHBondContact O-N 2.66Å; N133-H137 PolarHBondContact O-ND1 3.27Å; N133-H137 PolarHBondContact OD1-CE1 3.31Å; L134-H137 CarbonylContact O-C 3.58Å; L134-H137 PolarHBondContact O-N 2.9Å; L134-H137 VanDerWaalsContact O-N 3.07Å; L135-H137 PolarHBondContact O-N 3.24Å
138G97.1Very high97.8Very high44 Ų4441.3 Ų41.345%0.45422%0.221SC..THydrogen-bonded Turntrans91.811.3174.300000115.4L134 L135 K136L134-G138 PolarHBondContact O-N 2.7Å; L135-G138 PolarHBondContact O-N 2.68Å; K136-G138 VanDerWaalsContact C-N 3.3Å
139A97.7Very high97.8Very high9 Ų941.3 Ų41.37%0.07422%0.221CC..  trans-68.4154168.200000110.9T63 L134 L135 F144T63-A139 HydrophobicContact CG2-CB 4.34Å; L134-A139 HydrophobicContact CB-CB 3.88Å; L134-A139 VanDerWaalsContact O-CB 3.31Å; L134-A139 WeakPolarHBondContact O-CB 2.97Å; L134-A139 PolarHBondContact O-N 2.79Å; L135-A139 WeakPolarHBondContact CD2-O 3.33Å; A139-F144 HydrophobicContact CB-CE1 4.17Å; A139-F144 HydrophobicContact CB-CZ 3.96Å
140S98.1Very high97.7Very high49 Ų4937.2 Ų37.234%0.34320%0.197SC..  trans-114.1137.3176.2178.40000111.6D142 N143 F144S140-D142 PolarHBondContact O-N 2.88Å; S140-D142 PolarHBondContact OG-N 3.02Å; S140-N143 PolarHBondContact O-N 2.74Å; S140-N143 VanDerWaalsContact O-N 3.11Å; S140-F144 WeakPolarHBondContact O-CD1 2.97Å
141L98.4Very high97.7Very high18 Ų1834.7 Ų34.79%0.09419%0.185CC..G310 helixtrans-59.3-27173.7-64.5176.7000112.2I131 L135 N143 F144 F163 Q166 L167 G168I131-L141 HydrophobicContact CG2-CD2 3.69Å; L135-L141 HydrophobicContact CD1-CD1 4.37Å; L135-L141 HydrophobicContact CD1-CD2 4.05Å; L135-L141 HydrophobicContact CD1-CG 4.12Å; L135-L141 HydrophobicContact CD2-CD2 3.89Å; L135-L141 HydrophobicContact CD2-CG 3.88Å; L135-L141 HydrophobicContact CG-CD2 4.38Å; L141-N143 VanDerWaalsContact C-N 3.25Å; L141-N143 PolarHBondContact O-N 2.94Å; L141-F144 HydrophobicContact CD2-CD2 4.09Å; L141-F144 HydrophobicContact CD2-CE2 4.19Å; L141-F144 WeakPolarHBondContact O-CB 3.43Å; L141-F144 PolarHBondContact O-N 2.79Å; L141-F144 VanDerWaalsContact O-N 3.14Å; L141-F163 HydrophobicContact CD1-CB 4.03Å; L141-F163 HydrophobicContact CD1-CD1 3.9Å; L141-F163 HydrophobicContact CD1-CG 4.2Å; L141-F163 HydrophobicContact CD2-CD1 4.07Å; L141-F163 HydrophobicContact CD2-CE1 4.43Å; L141-F163 HydrophobicContact CD2-CG 4.21Å; L141-Q166 HydrophobicContact CD1-CB 3.87Å; L141-L167 HydrophobicContact CD2-CD2 3.91Å; L141-G168 PolarHBondContact O-N 3.26Å
142D97.2Very high97.7Very high75 Ų7534.7 Ų34.740%0.40119%0.185SC..G310 helixtrans-67-27.6178.3-76.6-21.2000113.4S140 F144 G168 K195S140-D142 PolarHBondContact O-N 2.88Å; S140-D142 PolarHBondContact OG-N 3.02Å; D142-F144 PolarHBondContact O-N 3.13Å; D142-G168 WeakPolarHBondContact O-CA 3.4Å; D142-K195 VanDerWaalsContact OD1-CD 3.24Å; D142-K195 WeakPolarHBondContact OD1-CD 3.34Å; D142-K195 WeakPolarHBondContact OD1-CE 3.49Å; D142-K195 IonicContact OD1-NZ 2.65Å; D142-K195 PolarHBondContact OD1-NZ 3.34Å; D142-K195 IonicContact OD2-NZ 2.67Å; D142-K195 PolarHBondContact OD2-NZ 3.42Å
143N97.4Very high97.7Very high55 Ų5529.2 Ų29.229%0.29416%0.161SC..G310 helixtrans-83.1-2.5177.7-70.5-11.4000112.3Q64 T67 S140 L141Q64-N143 PolarHBondContact O-ND2 3.05Å; T67-N143 PolarHBondContact N-O 2.73Å; S140-N143 PolarHBondContact O-N 2.74Å; S140-N143 VanDerWaalsContact O-N 3.11Å; L141-N143 VanDerWaalsContact C-N 3.25Å; L141-N143 PolarHBondContact O-N 2.94Å
144F98.6Very high97.8Very high3 Ų328 Ų281%0.01315%0.154CC..EExtended strand (participates in β ladder)trans-91.6128.1-176.7-66.1-3.6000112T67 W69 I131 L134 A139 S140 L141 D142 F146 G168 R169T67-F144 HydrophobicContact CG2-CD1 4.34Å; T67-F144 HydrophobicContact CG2-CE1 4.27Å; T67-F144 WeakPolarHBondContact O-CA 3.45Å; W69-F144 HydrophobicContact CZ2-CE2 4.34Å; W69-F144 AromaticContact NE1-CD2 3.71Å; W69-F144 AromaticContact NE1-CG 3.72Å; I131-F144 HydrophobicContact CG1-CE2 4.29Å; I131-F144 HydrophobicContact CG2-CD2 4.5Å; I131-F144 HydrophobicContact CG2-CE2 3.88Å; L134-F144 HydrophobicContact CB-CZ 4.28Å; L134-F144 HydrophobicContact CD1-CE2 4.39Å; L134-F144 HydrophobicContact CD1-CZ 3.85Å; A139-F144 HydrophobicContact CB-CE1 4.17Å; A139-F144 HydrophobicContact CB-CZ 3.96Å; S140-F144 WeakPolarHBondContact O-CD1 2.97Å; L141-F144 HydrophobicContact CD2-CD2 4.09Å; L141-F144 HydrophobicContact CD2-CE2 4.19Å; L141-F144 WeakPolarHBondContact O-CB 3.43Å; L141-F144 PolarHBondContact O-N 2.79Å; L141-F144 VanDerWaalsContact O-N 3.14Å; D142-F144 PolarHBondContact O-N 3.13Å; F144-F146 HydrophobicContact CB-CD2 4.31Å; F144-F146 HydrophobicContact CB-CE2 3.91Å; F144-F146 HydrophobicContact CD2-CE2 4.22Å; F144-F146 HydrophobicContact CG-CE2 4.48Å; F144-G168 PolarHBondContact O-N 2.74Å; F144-R169 PolarHBondContact O-N 3.14Å
145H98.7Very high97.9Very high2 Ų228 Ų281%0.00915%0.154CC..EExtended strand (participates in β ladder)trans-120.6107.4173.1-179.4-175.3000109.5K66 T67 V68 W69 R169 T171K66-H145 PolarHBondContact NZ-ND1 3.44Å; K66-H145 VanDerWaalsContact NZ-ND1 3.18Å; T67-H145 PolarHBondContact O-N 2.9Å; V68-H145 CarbonylContact C-O 3.59Å; V68-H145 VanDerWaalsContact CA-O 3.25Å; V68-H145 WeakPolarHBondContact CA-O 3.43Å; V68-H145 HydrophobicContact CG2-CB 4.23Å; W69-H145 PolarHBondContact N-O 2.9Å; H145-R169 CarbonylContact C-O 3.56Å; H145-R169 WeakPolarHBondContact CA-O 3.36Å; H145-R169 HydrophobicContact CB-CB 4.38Å; H145-R169 WeakPolarHBondContact NE2-CD 3.16Å; H145-T171 PolarHBondContact NE2-OG1 2.98Å
146F98.9Very high97.9Very high0 Ų025.3 Ų25.30%014%0.14CC..EExtended strand (participates in β ladder)trans-87.2123.6176.3-77.9-106.7000110.1W69 I71 I131 F144 V159 L167 R169 I170 T171W69-F146 HydrophobicContact CB-CD1 3.63Å; W69-F146 HydrophobicContact CB-CD2 4.31Å; W69-F146 HydrophobicContact CB-CE1 3.65Å; W69-F146 HydrophobicContact CB-CE2 4.33Å; W69-F146 HydrophobicContact CB-CG 3.95Å; W69-F146 HydrophobicContact CB-CZ 4Å; W69-F146 AromaticContact CD1-CD2 3.98Å; W69-F146 AromaticContact CD1-CE2 3.5Å; W69-F146 AromaticContact CD1-CZ 3.58Å; W69-F146 HydrophobicContact CD2-CE1 4.01Å; W69-F146 HydrophobicContact CD2-CE2 4.49Å; W69-F146 AromaticContact CD2-CZ 3.79Å; W69-F146 HydrophobicContact CD2-CZ 3.79Å; W69-F146 AromaticContact CE2-CZ 3.98Å; W69-F146 HydrophobicContact CE3-CE1 4.46Å; W69-F146 HydrophobicContact CG-CD1 4.1Å; W69-F146 HydrophobicContact CG-CD2 4.29Å; W69-F146 AromaticContact CG-CE1 3.67Å; W69-F146 HydrophobicContact CG-CE1 3.67Å; W69-F146 AromaticContact CG-CE2 3.88Å; W69-F146 HydrophobicContact CG-CE2 3.88Å; W69-F146 HydrophobicContact CG-CG 4.37Å; W69-F146 AromaticContact CG-CZ 3.52Å; W69-F146 HydrophobicContact CG-CZ 3.52Å; W69-F146 AromaticContact NE1-CE2 3.9Å; W69-F146 AromaticContact NE1-CZ 3.84Å; I71-F146 HydrophobicContact CD1-CD1 3.82Å; I71-F146 HydrophobicContact CD1-CE1 4.17Å; I131-F146 HydrophobicContact CD1-CE1 4.44Å; I131-F146 HydrophobicContact CD1-CZ 3.7Å; F144-F146 HydrophobicContact CB-CD2 4.31Å; F144-F146 HydrophobicContact CB-CE2 3.91Å; F144-F146 HydrophobicContact CD2-CE2 4.22Å; F144-F146 HydrophobicContact CG-CE2 4.48Å; F146-V159 HydrophobicContact CE1-CB 4.35Å; F146-V159 HydrophobicContact CE1-CG1 4.01Å; F146-V159 HydrophobicContact CE1-CG2 4.41Å; F146-V159 HydrophobicContact CZ-CG1 3.89Å; F146-L167 HydrophobicContact CD2-CD1 3.79Å; F146-L167 HydrophobicContact CD2-CD2 4.46Å; F146-L167 HydrophobicContact CE2-CD1 3.86Å; F146-L167 HydrophobicContact CE2-CD2 3.91Å; F146-L167 HydrophobicContact CE2-CG 4.47Å; F146-L167 HydrophobicContact CG-CD1 4.38Å; F146-R169 PolarHBondContact N-O 3.34Å; F146-I170 HydrophobicContact CB-CG1 4.06Å; F146-I170 CarbonylContact O-C 3.4Å; F146-I170 WeakPolarHBondContact O-CA 3.38Å; F146-T171 PolarHBondContact O-N 3.16Å
147I98.8Very high98Very high0 Ų016.9 Ų16.90%010%0.103CC..EExtended strand (participates in β ladder)trans-112.8103.6173.2-57.7177.7000107.1V68 W69 L70 I71 F87 L91 T171 L173 F221V68-I147 HydrophobicContact CG1-CD1 3.65Å; V68-I147 HydrophobicContact CG1-CG1 4.05Å; W69-I147 PolarHBondContact O-N 3.22Å; L70-I147 HydrophobicContact CD1-CB 4.05Å; L70-I147 HydrophobicContact CD1-CG2 3.9Å; I71-I147 PolarHBondContact N-O 2.99Å; F87-I147 HydrophobicContact CE1-CG2 4.19Å; F87-I147 HydrophobicContact CZ-CD1 4.21Å; F87-I147 HydrophobicContact CZ-CG2 4.04Å; L91-I147 HydrophobicContact CD2-CD1 4.25Å; I147-T171 WeakPolarHBondContact CA-O 3.35Å; I147-L173 HydrophobicContact CG2-CD1 3.47Å; I147-L173 VanDerWaalsContact CG2-CD1 3.47Å; I147-L173 HydrophobicContact CG2-CG 4.01Å; I147-F221 HydrophobicContact CD1-CE1 3.78Å; I147-F221 HydrophobicContact CD1-CZ 3.79Å
148G98.5Very high98.1Very high0 Ų013.9 Ų13.90%09%0.089CC..EExtended strand (participates in β ladder)trans-108.7127.9-177.600000111.7G152 A153 T171 L173G148-G152 VanDerWaalsContact CA-C 3.48Å; G148-A153 WeakPolarHBondContact O-CB 3.41Å; G148-T171 PolarHBondContact N-O 3.33Å; G148-L173 PolarHBondContact O-N 3.4Å
149V97.2Very high98.2Very high8 Ų811.8 Ų11.85%0.0487%0.068CC..EExtended strand (participates in β ladder)trans-99.7131.5176.4-174.10000109.5I71 H72 G73 W83 L151 G152 L173 V218I71-V149 PolarHBondContact O-N 3.32Å; H72-V149 CarbonylContact C-O 3.55Å; G73-V149 VanDerWaalsContact CA-O 3.29Å; G73-V149 WeakPolarHBondContact CA-O 3.32Å; G73-V149 PolarHBondContact N-O 3.49Å; W83-V149 HydrophobicContact CH2-CG2 3.87Å; W83-V149 HydrophobicContact CZ2-CB 4.41Å; W83-V149 HydrophobicContact CZ2-CG1 4.45Å; W83-V149 HydrophobicContact CZ2-CG2 3.91Å; V149-L151 PolarHBondContact O-N 3.03Å; V149-G152 VanDerWaalsContact O-CA 3.31Å; V149-G152 WeakPolarHBondContact O-CA 3.43Å; V149-G152 PolarHBondContact O-N 2.94Å; V149-L173 WeakPolarHBondContact CA-O 3.23Å; V149-L173 HydrophobicContact CG2-CB 4.14Å; V149-L173 HydrophobicContact CG2-CD1 4.03Å; V149-V218 HydrophobicContact CB-CG2 4.47Å; V149-V218 HydrophobicContact CG1-CG2 3.78Å; V149-V218 HydrophobicContact CG2-CG2 3.77Å
150S95.8Very high98.3Very high7 Ų711.3 Ų11.35%0.0496%0.064CC..THydrogen-bonded Turntrans58.5-125.5174.9-165.20000112.6G152 A153 L173 D174 A176 H214S150-G152 PolarHBondContact O-N 3.31Å; S150-A153 VanDerWaalsContact O-CB 3.28Å; S150-A153 WeakPolarHBondContact O-CB 3.45Å; S150-A153 PolarHBondContact O-N 3.04Å; S150-L173 PolarHBondContact N-O 2.91Å; S150-D174 WeakPolarHBondContact CA-O 3.18Å; S150-A176 PolarHBondContact O-N 3.37Å; S150-H214 WeakPolarHBondContact CB-NE2 3.15Å; S150-H214 PolarHBondContact OG-CE1 2.9Å; S150-H214 PolarHBondContact OG-NE2 3.18Å
151L97.4Very high98.3Very high0 Ų011.5 Ų11.50%06%0.059CC..Hα-helixtrans-53.1-31.3168.6-70-172.9000113.2Y74 W104 Y113 A116 V117 T120 V149 A153 H154 I155 A176 F180Y74-L151 HydrophobicContact CD2-CD1 4.38Å; Y74-L151 HydrophobicContact CG-CD1 4.37Å; W104-L151 HydrophobicContact CH2-CB 4.2Å; W104-L151 HydrophobicContact CH2-CD1 3.86Å; W104-L151 HydrophobicContact CZ2-CB 4.04Å; W104-L151 HydrophobicContact CZ2-CD1 4.44Å; Y113-L151 HydrophobicContact CE2-CD1 4.38Å; Y113-L151 HydrophobicContact CE2-CD2 4.42Å; A116-L151 HydrophobicContact CB-CD1 3.78Å; V117-L151 HydrophobicContact CG2-CD2 4.07Å; T120-L151 HydrophobicContact CG2-CB 4.02Å; T120-L151 HydrophobicContact CG2-CD1 4.39Å; T120-L151 HydrophobicContact CG2-CD2 4.3Å; T120-L151 HydrophobicContact CG2-CG 4.48Å; V149-L151 PolarHBondContact O-N 3.03Å; L151-A153 PolarHBondContact O-N 3.07Å; L151-H154 PolarHBondContact O-N 2.8Å; L151-H154 VanDerWaalsContact O-N 3.09Å; L151-I155 PolarHBondContact O-N 2.78Å; L151-A176 HydrophobicContact CD2-CB 3.94Å; L151-A176 HydrophobicContact CG-CB 4.47Å; L151-F180 HydrophobicContact CD2-CD2 4.44Å; L151-F180 HydrophobicContact CD2-CE2 3.43Å; L151-F180 VanDerWaalsContact CD2-CE2 3.43Å; L151-F180 HydrophobicContact CD2-CZ 3.97Å
152G98.3Very high98.3Very high0 Ų013.3 Ų13.30%07%0.068CC..Hα-helixtrans-60.1-32.2175.500000113H72 G148 V149 S150 H154 I155 S156H72-G152 WeakPolarHBondContact O-CA 3.21Å; H72-G152 PolarHBondContact O-N 3.12Å; G148-G152 VanDerWaalsContact CA-C 3.48Å; V149-G152 VanDerWaalsContact O-CA 3.31Å; V149-G152 WeakPolarHBondContact O-CA 3.43Å; V149-G152 PolarHBondContact O-N 2.94Å; S150-G152 PolarHBondContact O-N 3.31Å; G152-H154 VanDerWaalsContact C-N 3.28Å; G152-H154 PolarHBondContact O-N 2.93Å; G152-I155 WeakPolarHBondContact O-CB 2.93Å; G152-I155 PolarHBondContact O-N 3.15Å; G152-S156 PolarHBondContact O-N 3.3Å; G152-S156 PolarHBondContact O-OG 2.82Å; G152-S156 VanDerWaalsContact O-OG 3.09Å
153A98.6Very high98.4Very high0 Ų010.5 Ų10.50%05%0.052CC..Hα-helixtrans-62-38.1174.600000111.8G148 S150 L151 S156 G157 P175 L189G148-A153 WeakPolarHBondContact O-CB 3.41Å; S150-A153 VanDerWaalsContact O-CB 3.28Å; S150-A153 WeakPolarHBondContact O-CB 3.45Å; S150-A153 PolarHBondContact O-N 3.04Å; L151-A153 PolarHBondContact O-N 3.07Å; A153-S156 WeakPolarHBondContact O-CB 3.44Å; A153-S156 PolarHBondContact O-N 3.13Å; A153-G157 PolarHBondContact O-N 3.03Å; A153-P175 HydrophobicContact CB-CB 3.73Å; A153-P175 HydrophobicContact CB-CG 3.77Å; A153-L189 HydrophobicContact CB-CD2 4.2Å
154H98.7Very high98.4Very high8 Ų815.6 Ų15.64%0.0377%0.074CC..Hα-helixtrans-75.2-34.5176.2-61.3-41000112.4L151 G152 S156 G157 F158 A176 F180 L189L151-H154 PolarHBondContact O-N 2.8Å; L151-H154 VanDerWaalsContact O-N 3.09Å; G152-H154 VanDerWaalsContact C-N 3.28Å; G152-H154 PolarHBondContact O-N 2.93Å; H154-S156 VanDerWaalsContact C-N 3.32Å; H154-S156 PolarHBondContact O-N 3.28Å; H154-G157 PolarHBondContact O-N 3.27Å; H154-F158 HydrophobicContact CB-CE2 4.04Å; H154-F158 WeakPolarHBondContact O-CD2 3.3Å; H154-F158 VanDerWaalsContact O-CG 3.26Å; H154-F158 WeakPolarHBondContact O-CG 3.42Å; H154-F158 PolarHBondContact O-N 2.89Å; H154-A176 PolarHBondContact NE2-O 3.07Å; H154-F180 HydrophobicContact CB-CD1 4.17Å; H154-F180 HydrophobicContact CB-CE1 3.69Å; H154-F180 HydrophobicContact CB-CZ 4Å; H154-F180 AromaticContact CD2-CD1 3.37Å; H154-F180 WeakPolarHBondContact CD2-CD1 3.35Å; H154-F180 AromaticContact CD2-CD2 3.27Å; H154-F180 WeakPolarHBondContact CD2-CD2 3.33Å; H154-F180 AromaticContact CD2-CE1 3.5Å; H154-F180 VanDerWaalsContact CD2-CE1 3.5Å; H154-F180 WeakPolarHBondContact CD2-CE1 3.35Å; H154-F180 AromaticContact CD2-CE2 3.42Å; H154-F180 VanDerWaalsContact CD2-CE2 3.42Å; H154-F180 WeakPolarHBondContact CD2-CE2 3.3Å; H154-F180 AromaticContact CD2-CG 3.25Å; H154-F180 WeakPolarHBondContact CD2-CG 3.25Å; H154-F180 AromaticContact CD2-CZ 3.51Å; H154-F180 AromaticContact CE1-CG 3.92Å; H154-F180 AromaticContact CG-CD1 3.57Å; H154-F180 AromaticContact CG-CE1 3.58Å; H154-F180 AromaticContact CG-CG 3.93Å; H154-F180 AromaticContact CG-CZ 3.94Å; H154-F180 WeakPolarHBondContact NE2-CB 2.94Å; H154-F180 AromaticContact NE2-CD1 3.72Å; H154-F180 AromaticContact NE2-CD2 3.48Å; H154-F180 WeakPolarHBondContact NE2-CD2 3.5Å; H154-F180 AromaticContact NE2-CG 3.25Å; H154-F180 VanDerWaalsContact NE2-CG 3.25Å; H154-F180 WeakPolarHBondContact NE2-CG 3.46Å; H154-L189 PolarHBondContact ND1-N 3.06Å
155I98.9Very high98.3Very high0 Ų016 Ų160%08%0.079CC..Hα-helixtrans-56.1-49.8169.3-64.3172.6000109.6I71 W104 T120 V123 A124 L127 L151 G152 G157 F158 V159I71-I155 HydrophobicContact CD1-CG2 3.93Å; I71-I155 HydrophobicContact CG2-CB 4.25Å; I71-I155 HydrophobicContact CG2-CD1 4.02Å; I71-I155 HydrophobicContact CG2-CG2 4.21Å; W104-I155 HydrophobicContact CD2-CD1 3.94Å; W104-I155 HydrophobicContact CE3-CD1 4.49Å; W104-I155 HydrophobicContact CG-CD1 4.36Å; W104-I155 HydrophobicContact CH2-CD1 4.37Å; W104-I155 HydrophobicContact CZ2-CD1 3.8Å; T120-I155 HydrophobicContact CG2-CD1 4.24Å; T120-I155 HydrophobicContact CG2-CG1 3.86Å; V123-I155 HydrophobicContact CB-CD1 4.17Å; V123-I155 HydrophobicContact CB-CG2 4.41Å; V123-I155 HydrophobicContact CG1-CD1 4.06Å; V123-I155 HydrophobicContact CG1-CG2 3.93Å; A124-I155 HydrophobicContact CB-CG2 4.42Å; L127-I155 HydrophobicContact CD1-CG2 3.81Å; L151-I155 PolarHBondContact O-N 2.78Å; G152-I155 WeakPolarHBondContact O-CB 2.93Å; G152-I155 PolarHBondContact O-N 3.15Å; I155-G157 VanDerWaalsContact C-N 3.33Å; I155-G157 PolarHBondContact O-N 3.11Å; I155-F158 PolarHBondContact O-N 3.12Å; I155-F158 VanDerWaalsContact O-N 3.12Å; I155-V159 WeakPolarHBondContact O-CG2 3.5Å; I155-V159 PolarHBondContact O-N 3.03Å
156S98.9Very high98.3Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-55.5-45.9175.4-55.90000112.2G152 A153 H154 F158 V159 G160G152-S156 PolarHBondContact O-N 3.3Å; G152-S156 PolarHBondContact O-OG 2.82Å; G152-S156 VanDerWaalsContact O-OG 3.09Å; A153-S156 WeakPolarHBondContact O-CB 3.44Å; A153-S156 PolarHBondContact O-N 3.13Å; H154-S156 VanDerWaalsContact C-N 3.32Å; H154-S156 PolarHBondContact O-N 3.28Å; S156-F158 PolarHBondContact O-N 3.24Å; S156-V159 PolarHBondContact O-N 3.31Å; S156-G160 PolarHBondContact O-N 3.38Å
157G98.8Very high98.3Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-63.8-36.1176.500000113.9A153 H154 I155 G160 K161 D193A153-G157 PolarHBondContact O-N 3.03Å; H154-G157 PolarHBondContact O-N 3.27Å; I155-G157 VanDerWaalsContact C-N 3.33Å; I155-G157 PolarHBondContact O-N 3.11Å; G157-G160 PolarHBondContact O-N 3.18Å; G157-K161 WeakPolarHBondContact O-CG 3.34Å; G157-K161 PolarHBondContact O-N 2.74Å; G157-K161 PolarHBondContact O-NZ 3.05Å; G157-D193 WeakPolarHBondContact CA-OD2 3.23Å
158F98.9Very high98.2Very high13 Ų1321.4 Ų21.46%0.05711%0.106CC..Hα-helixtrans-70-38.9175.2-65.4-44.2000112.2T120 R121 A124 H154 I155 S156 G160 K161 I162 F180 S187T120-F158 VanDerWaalsContact OG1-CE2 3.31Å; T120-F158 WeakPolarHBondContact OG1-CE2 3.37Å; R121-F158 HydrophobicContact CG-CD2 3.99Å; R121-F158 HydrophobicContact CG-CE1 4.46Å; R121-F158 HydrophobicContact CG-CE2 3.92Å; R121-F158 HydrophobicContact CG-CG 4.31Å; R121-F158 HydrophobicContact CG-CZ 4.17Å; A124-F158 HydrophobicContact CB-CB 3.48Å; A124-F158 VanDerWaalsContact CB-CB 3.48Å; H154-F158 HydrophobicContact CB-CE2 4.04Å; H154-F158 WeakPolarHBondContact O-CD2 3.3Å; H154-F158 VanDerWaalsContact O-CG 3.26Å; H154-F158 WeakPolarHBondContact O-CG 3.42Å; H154-F158 PolarHBondContact O-N 2.89Å; I155-F158 PolarHBondContact O-N 3.12Å; I155-F158 VanDerWaalsContact O-N 3.12Å; S156-F158 PolarHBondContact O-N 3.24Å; F158-G160 VanDerWaalsContact C-N 3.32Å; F158-K161 HydrophobicContact CD1-CD 4.29Å; F158-K161 PolarHBondContact O-N 3.28Å; F158-I162 WeakPolarHBondContact O-CG1 3.39Å; F158-I162 PolarHBondContact O-N 3.24Å; F158-I162 VanDerWaalsContact O-N 3.13Å; F158-F180 HydrophobicContact CE2-CE1 4.19Å; F158-F180 HydrophobicContact CZ-CE1 4.03Å; F158-S187 WeakPolarHBondContact CZ-O 3.4Å
159V98.9Very high98.2Very high0 Ų022 Ų220%011%0.109CC..Hα-helixtrans-60.1-46.5170.9177.80000109.7A124 L127 I131 F146 I155 S156 K161 I162 F163 L167A124-V159 HydrophobicContact CB-CG2 3.81Å; L127-V159 HydrophobicContact CB-CG2 4.02Å; L127-V159 HydrophobicContact CD1-CG2 4Å; I131-V159 HydrophobicContact CD1-CG1 3.42Å; I131-V159 VanDerWaalsContact CD1-CG1 3.42Å; F146-V159 HydrophobicContact CE1-CB 4.35Å; F146-V159 HydrophobicContact CE1-CG1 4.01Å; F146-V159 HydrophobicContact CE1-CG2 4.41Å; F146-V159 HydrophobicContact CZ-CG1 3.89Å; I155-V159 WeakPolarHBondContact O-CG2 3.5Å; I155-V159 PolarHBondContact O-N 3.03Å; S156-V159 PolarHBondContact O-N 3.31Å; V159-K161 VanDerWaalsContact C-N 3.31Å; V159-K161 PolarHBondContact O-N 3.33Å; V159-I162 WeakPolarHBondContact O-CB 3.49Å; V159-I162 PolarHBondContact O-N 3.13Å; V159-F163 HydrophobicContact CG1-CD2 3.85Å; V159-F163 HydrophobicContact CG1-CE2 3.91Å; V159-F163 VanDerWaalsContact O-CD2 3.3Å; V159-F163 WeakPolarHBondContact O-CD2 3.23Å; V159-F163 PolarHBondContact O-N 3.06Å; V159-F163 VanDerWaalsContact O-N 3.13Å; V159-L167 HydrophobicContact CG1-CD1 4.14Å
160G98.8Very high98.3Very high0 Ų021.7 Ų21.70%011%0.106CC..Hα-helixtrans-52.6-44.5175.600000114S156 G157 F158 F163 H164 G165 L167 D193S156-G160 PolarHBondContact O-N 3.38Å; G157-G160 PolarHBondContact O-N 3.18Å; F158-G160 VanDerWaalsContact C-N 3.32Å; G160-F163 CarbonylContact O-C 3.58Å; G160-F163 VanDerWaalsContact O-C 3.3Å; G160-F163 PolarHBondContact O-N 3.13Å; G160-H164 PolarHBondContact O-N 2.88Å; G160-H164 VanDerWaalsContact O-N 3.12Å; G160-G165 PolarHBondContact O-N 2.86Å; G160-L167 VanDerWaalsContact CA-CD1 3.45Å; G160-D193 CarbonylContact C-O 3.55Å; G160-D193 WeakPolarHBondContact CA-O 3.05Å
161K98.5Very high98.4Very high52 Ų5221.3 Ų21.323%0.22610%0.104CC..Hα-helixtrans-63.5-41.2175.1-69.8170.6-174.657.40113.4G157 F158 V159 F163 H164 P185 Y186 R188 D193G157-K161 WeakPolarHBondContact O-CG 3.34Å; G157-K161 PolarHBondContact O-N 2.74Å; G157-K161 PolarHBondContact O-NZ 3.05Å; F158-K161 HydrophobicContact CD1-CD 4.29Å; F158-K161 PolarHBondContact O-N 3.28Å; V159-K161 VanDerWaalsContact C-N 3.31Å; V159-K161 PolarHBondContact O-N 3.33Å; K161-F163 PolarHBondContact O-N 3.2Å; K161-H164 PolarHBondContact O-N 3.1Å; K161-P185 WeakPolarHBondContact CE-O 3.34Å; K161-P185 PolarHBondContact NZ-O 3.4Å; K161-Y186 VanDerWaalsContact CE-CA 3.4Å; K161-R188 WeakPolarHBondContact CE-O 3.28Å; K161-R188 PolarHBondContact NZ-O 2.88Å; K161-D193 VanDerWaalsContact CG-OD1 3.27Å; K161-D193 WeakPolarHBondContact CG-OD1 3.38Å; K161-D193 IonicContact NZ-OD1 2.84Å; K161-D193 PolarHBondContact NZ-OD1 3.45Å; K161-D193 IonicContact NZ-OD2 2.8Å; K161-D193 PolarHBondContact NZ-OD2 3.12Å
162I98.7Very high98.4Very high57 Ų5721.3 Ų21.329%0.29210%0.104SC..Hα-helixtrans-60.5-34.4177.6-67.3164.8000110.5A124 V125 F158 V159A124-I162 HydrophobicContact CB-CD1 4.3Å; V125-I162 HydrophobicContact CG2-CD1 4.37Å; F158-I162 WeakPolarHBondContact O-CG1 3.39Å; F158-I162 PolarHBondContact O-N 3.24Å; F158-I162 VanDerWaalsContact O-N 3.13Å; V159-I162 WeakPolarHBondContact O-CB 3.49Å; V159-I162 PolarHBondContact O-N 3.13Å
163F98.6Very high98.4Very high16 Ų1621.3 Ų21.37%0.0710%0.104CC..THydrogen-bonded Turntrans-9824.3176.1-65.2-76.4000113.2I131 K132 L135 L141 V159 G160 K161 G165 Q166 L167I131-F163 HydrophobicContact CB-CE2 3.91Å; I131-F163 HydrophobicContact CB-CZ 3.65Å; I131-F163 HydrophobicContact CD1-CE2 3.75Å; I131-F163 HydrophobicContact CD1-CZ 4.39Å; I131-F163 HydrophobicContact CG1-CE2 4.47Å; I131-F163 HydrophobicContact CG2-CD2 4.38Å; I131-F163 HydrophobicContact CG2-CE1 3.75Å; I131-F163 HydrophobicContact CG2-CE2 3.61Å; I131-F163 HydrophobicContact CG2-CZ 3.25Å; K132-F163 HydrophobicContact CG-CE1 4.02Å; K132-F163 HydrophobicContact CG-CZ 4.11Å; L135-F163 HydrophobicContact CD1-CE1 4.28Å; L141-F163 HydrophobicContact CD1-CB 4.03Å; L141-F163 HydrophobicContact CD1-CD1 3.9Å; L141-F163 HydrophobicContact CD1-CG 4.2Å; L141-F163 HydrophobicContact CD2-CD1 4.07Å; L141-F163 HydrophobicContact CD2-CE1 4.43Å; L141-F163 HydrophobicContact CD2-CG 4.21Å; V159-F163 HydrophobicContact CG1-CD2 3.85Å; V159-F163 HydrophobicContact CG1-CE2 3.91Å; V159-F163 VanDerWaalsContact O-CD2 3.3Å; V159-F163 WeakPolarHBondContact O-CD2 3.23Å; V159-F163 PolarHBondContact O-N 3.06Å; V159-F163 VanDerWaalsContact O-N 3.13Å; G160-F163 CarbonylContact O-C 3.58Å; G160-F163 VanDerWaalsContact O-C 3.3Å; G160-F163 PolarHBondContact O-N 3.13Å; K161-F163 PolarHBondContact O-N 3.2Å; F163-G165 PolarHBondContact O-N 3.29Å; F163-G165 VanDerWaalsContact O-N 3.1Å; F163-Q166 VanDerWaalsContact O-CB 3.28Å; F163-Q166 WeakPolarHBondContact O-CB 3.46Å; F163-Q166 WeakPolarHBondContact O-CG 3.36Å; F163-Q166 PolarHBondContact O-N 2.97Å; F163-L167 HydrophobicContact CB-CD2 4.46Å; F163-L167 HydrophobicContact CD2-CD2 4.42Å
164H97.9Very high98.3Very high161 Ų16121.6 Ų21.675%0.74511%0.106SC*.THydrogen-bonded Turntrans51.737.1172.8-53.1-72.2000114.6G160 K161 Q166G160-H164 PolarHBondContact O-N 2.88Å; G160-H164 VanDerWaalsContact O-N 3.12Å; K161-H164 PolarHBondContact O-N 3.1Å; H164-Q166 VanDerWaalsContact C-N 3.25Å; H164-Q166 PolarHBondContact O-N 3.34Å
165G97.5Very high98.2Very high13 Ų1322.2 Ų22.213%0.13411%0.11CC..THydrogen-bonded Turntrans75.38.5178.800000115G160 F163 L167 T192 A194 K195G160-G165 PolarHBondContact O-N 2.86Å; F163-G165 PolarHBondContact O-N 3.29Å; F163-G165 VanDerWaalsContact O-N 3.1Å; G165-L167 VanDerWaalsContact C-N 3.29Å; G165-L167 PolarHBondContact O-N 2.84Å; G165-T192 WeakPolarHBondContact CA-O 3.3Å; G165-A194 CarbonylContact O-C 3.52Å; G165-A194 VanDerWaalsContact O-C 3.25Å; G165-A194 VanDerWaalsContact O-CA 3.25Å; G165-A194 WeakPolarHBondContact O-CA 3.4Å; G165-K195 PolarHBondContact O-N 2.99Å
166Q98Very high97.9Very high107 Ų10722.6 Ų22.650%0.511%0.113SC..  trans-81.6-2.3-174.6-62.3-174.331.100114.3L141 F163 H164L141-Q166 HydrophobicContact CD1-CB 3.87Å; F163-Q166 VanDerWaalsContact O-CB 3.28Å; F163-Q166 WeakPolarHBondContact O-CB 3.46Å; F163-Q166 WeakPolarHBondContact O-CG 3.36Å; F163-Q166 PolarHBondContact O-N 2.97Å; H164-Q166 VanDerWaalsContact C-N 3.25Å; H164-Q166 PolarHBondContact O-N 3.34Å
167L98.3Very high97.5Very high0 Ų023.8 Ų23.80%013%0.126CC..BIsolated β-bridgetrans-60.5141.9173.8-61.4-177000110.8L141 F146 V159 G160 F163 G165 I170 A194 K195L141-L167 HydrophobicContact CD2-CD2 3.91Å; F146-L167 HydrophobicContact CD2-CD1 3.79Å; F146-L167 HydrophobicContact CD2-CD2 4.46Å; F146-L167 HydrophobicContact CE2-CD1 3.86Å; F146-L167 HydrophobicContact CE2-CD2 3.91Å; F146-L167 HydrophobicContact CE2-CG 4.47Å; F146-L167 HydrophobicContact CG-CD1 4.38Å; V159-L167 HydrophobicContact CG1-CD1 4.14Å; G160-L167 VanDerWaalsContact CA-CD1 3.45Å; F163-L167 HydrophobicContact CB-CD2 4.46Å; F163-L167 HydrophobicContact CD2-CD2 4.42Å; G165-L167 VanDerWaalsContact C-N 3.29Å; G165-L167 PolarHBondContact O-N 2.84Å; L167-I170 HydrophobicContact CD1-CD1 4.16Å; L167-I170 HydrophobicContact CD1-CG1 4.27Å; L167-A194 HydrophobicContact CB-CB 3.97Å; L167-A194 CarbonylContact O-C 3.45Å; L167-A194 WeakPolarHBondContact O-CA 3.28Å; L167-A194 VanDerWaalsContact O-CB 3.32Å; L167-A194 WeakPolarHBondContact O-CB 3.39Å; L167-K195 PolarHBondContact O-N 2.6Å
168G97.5Very high97.1Very high7 Ų726.6 Ų26.67%0.07214%0.144CC..SBendtrans-61.2-49.5-178.100000113.8L141 D142 F144 F196L141-G168 PolarHBondContact O-N 3.26Å; D142-G168 WeakPolarHBondContact O-CA 3.4Å; F144-G168 PolarHBondContact O-N 2.74Å; G168-F196 PolarHBondContact O-N 3.47Å
169R97.9Very high96.8Very high14 Ų1433.4 Ų33.45%0.05317%0.17CC..EExtended strand (participates in β ladder)trans-151.5142178.1-178.7173.9179-172.2-2112.7F144 H145 F146 T171 F196 D198 G262 Y263F144-R169 PolarHBondContact O-N 3.14Å; H145-R169 CarbonylContact C-O 3.56Å; H145-R169 WeakPolarHBondContact CA-O 3.36Å; H145-R169 HydrophobicContact CB-CB 4.38Å; H145-R169 WeakPolarHBondContact NE2-CD 3.16Å; F146-R169 PolarHBondContact N-O 3.34Å; R169-T171 PolarHBondContact NE-OG1 3.05Å; R169-F196 CarbonylContact C-O 3.52Å; R169-F196 VanDerWaalsContact CA-O 3.26Å; R169-F196 WeakPolarHBondContact CA-O 3.4Å; R169-F196 HydrophobicContact CG-CD1 3.84Å; R169-D198 IonicContact CZ-OD1 2.67Å; R169-D198 IonicContact CZ-OD2 2.79Å; R169-D198 IonicContact NE-OD1 3.92Å; R169-D198 PolarHBondContact NE-OD1 2.67Å; R169-D198 IonicContact NE-OD2 2.61Å; R169-D198 VanDerWaalsContact NH2-CG 3.27Å; R169-D198 IonicContact NH2-OD1 2.78Å; R169-D198 PolarHBondContact NH2-OD1 3.09Å; R169-D198 IonicContact NH2-OD2 3.43Å; R169-D198 PolarHBondContact NH2-OD2 2.94Å; R169-G262 PolarHBondContact NH2-O 3.44Å; R169-Y263 PolarHBondContact NH1-O 3.27Å
170I98.8Very high96.5Very high0 Ų033.8 Ų33.80%017%0.171CC..EExtended strand (participates in β ladder)trans-120.4127.1162.5-64.4162.9000109.2F146 L167 L189 D193 A194 F196 V197 D198F146-I170 HydrophobicContact CB-CG1 4.06Å; F146-I170 CarbonylContact O-C 3.4Å; F146-I170 WeakPolarHBondContact O-CA 3.38Å; L167-I170 HydrophobicContact CD1-CD1 4.16Å; L167-I170 HydrophobicContact CD1-CG1 4.27Å; I170-L189 HydrophobicContact CB-CD1 4.5Å; I170-L189 HydrophobicContact CD1-CD1 4.17Å; I170-L189 HydrophobicContact CG2-CD1 3.73Å; I170-L189 HydrophobicContact CG2-CD2 4.35Å; I170-D193 HydrophobicContact CD1-CB 3.64Å; I170-D193 WeakPolarHBondContact CD1-O 3.49Å; I170-A194 HydrophobicContact CB-CB 4.27Å; I170-A194 HydrophobicContact CD1-CB 3.76Å; I170-A194 HydrophobicContact CG1-CB 3.77Å; I170-F196 PolarHBondContact N-O 2.77Å; I170-V197 HydrophobicContact CB-CG2 4.32Å; I170-V197 VanDerWaalsContact O-CA 3.29Å; I170-V197 WeakPolarHBondContact O-CA 3.19Å; I170-D198 PolarHBondContact O-N 3.18Å
171T98.7Very high96.1Very high0 Ų037.7 Ų37.70%020%0.198CC..EExtended strand (participates in β ladder)trans-106.3120.6165.5-57.10000109.9H145 F146 I147 G148 R169 L173 D198 F221H145-T171 PolarHBondContact NE2-OG1 2.98Å; F146-T171 PolarHBondContact O-N 3.16Å; I147-T171 WeakPolarHBondContact CA-O 3.35Å; G148-T171 PolarHBondContact N-O 3.33Å; R169-T171 PolarHBondContact NE-OG1 3.05Å; T171-L173 HydrophobicContact CG2-CD2 3.73Å; T171-L173 HydrophobicContact CG2-CG 4.27Å; T171-D198 CarbonylContact C-O 3.46Å; T171-D198 VanDerWaalsContact CA-O 3.24Å; T171-D198 WeakPolarHBondContact CA-O 3.46Å; T171-D198 WeakPolarHBondContact CG2-OD2 3.32Å; T171-D198 PolarHBondContact OG1-OD1 3.29Å; T171-D198 PolarHBondContact OG1-OD2 2.7Å; T171-D198 VanDerWaalsContact OG1-OD2 3.13Å; T171-F221 HydrophobicContact CG2-CD2 3.95Å; T171-F221 HydrophobicContact CG2-CE2 3.7Å
172G98.3Very high95.7Very high0 Ų047.4 Ų47.40%023%0.234CC..EExtended strand (participates in β ladder)trans-94.3113.3171.800000111.1D198 V199 I200G172-D198 PolarHBondContact N-O 3.34Å; G172-V199 WeakPolarHBondContact O-CA 3.34Å; G172-I200 PolarHBondContact O-N 3.26Å
173L97.6Very high95.4Very high0 Ų049.6 Ų49.60%024%0.241CC..EExtended strand (participates in β ladder)trans-96.1102175.6-57.6-179.6000108.8F87 I147 G148 V149 S150 T171 I200 A217 V218 F221F87-L173 HydrophobicContact CE1-CD1 3.97Å; F87-L173 HydrophobicContact CZ-CD1 4.26Å; I147-L173 HydrophobicContact CG2-CD1 3.47Å; I147-L173 VanDerWaalsContact CG2-CD1 3.47Å; I147-L173 HydrophobicContact CG2-CG 4.01Å; G148-L173 PolarHBondContact O-N 3.4Å; V149-L173 WeakPolarHBondContact CA-O 3.23Å; V149-L173 HydrophobicContact CG2-CB 4.14Å; V149-L173 HydrophobicContact CG2-CD1 4.03Å; S150-L173 PolarHBondContact N-O 2.91Å; T171-L173 HydrophobicContact CG2-CD2 3.73Å; T171-L173 HydrophobicContact CG2-CG 4.27Å; L173-I200 HydrophobicContact CD2-CB 4.37Å; L173-I200 HydrophobicContact CD2-CD1 3.79Å; L173-I200 HydrophobicContact CD2-CG1 4.32Å; L173-A217 HydrophobicContact CB-CB 4.17Å; L173-V218 HydrophobicContact CB-CG2 4.45Å; L173-V218 HydrophobicContact CD1-CG2 4.17Å; L173-F221 HydrophobicContact CD1-CB 4.3Å; L173-F221 HydrophobicContact CD1-CG 4.46Å; L173-F221 HydrophobicContact CD2-CB 3.84Å; L173-F221 HydrophobicContact CD2-CD2 3.85Å; L173-F221 HydrophobicContact CD2-CG 4.05Å
174D95.6Very high95.3Very high6 Ų651.2 Ų51.23%0.03225%0.253CS..SBendtrans45.566.5-174.6-153.547.6000113.1S150 A176 I200 S202 D203 H214 A217S150-D174 WeakPolarHBondContact CA-O 3.18Å; D174-A176 PolarHBondContact O-N 3.22Å; D174-I200 VanDerWaalsContact CA-O 3.24Å; D174-I200 WeakPolarHBondContact CA-O 3.24Å; D174-I200 PolarHBondContact N-O 3.49Å; D174-S202 PolarHBondContact OD1-N 3.46Å; D174-D203 PolarHBondContact OD1-N 3.12Å; D174-D203 VanDerWaalsContact OD1-N 3.11Å; D174-D203 WeakPolarHBondContact OD2-CB 3.43Å; D174-H214 PolarHBondContact O-CE1 2.93Å; D174-H214 IonicContact OD2-CE1 3.24Å; D174-H214 IonicContact OD2-CG 3.04Å; D174-H214 IonicContact OD2-ND1 3.75Å; D174-H214 PolarHBondContact OD2-ND1 3.14Å; D174-A217 HydrophobicContact CB-CB 3.85Å
175P96.5Very high95.2Very high20 Ų2046.5 Ų46.513%0.1324%0.237CC..  trans-55.3136.3-178.7-23.333.5000111.8A153 G177 L189 V199A153-P175 HydrophobicContact CB-CB 3.73Å; A153-P175 HydrophobicContact CB-CG 3.77Å; P175-G177 PolarHBondContact O-N 2.85Å; P175-L189 HydrophobicContact CG-CD2 4.25Å; P175-V199 HydrophobicContact CG-CG1 3.58Å
176A93.9Very high95.1Very high8 Ų853.5 Ų53.57%0.06626%0.26CS..  trans-63.6123.7-172.900000112.6S150 L151 H154 D174 F180S150-A176 PolarHBondContact O-N 3.37Å; L151-A176 HydrophobicContact CD2-CB 3.94Å; L151-A176 HydrophobicContact CG-CB 4.47Å; H154-A176 PolarHBondContact NE2-O 3.07Å; D174-A176 PolarHBondContact O-N 3.22Å; A176-F180 HydrophobicContact CB-CD2 4.47Å; A176-F180 WeakPolarHBondContact O-CB 3.34Å; A176-F180 WeakPolarHBondContact O-CD2 3.39Å
177G90.1Very high95Very high26 Ų2649.2 Ų49.227%0.26824%0.242SC..  trans-69.6-49.8177.300000115P175 R179 F180 S181P175-G177 PolarHBondContact O-N 2.85Å; G177-R179 PolarHBondContact O-N 2.95Å; G177-F180 PolarHBondContact O-N 2.62Å; G177-S181 VanDerWaalsContact CA-OG 3.23Å; G177-S181 WeakPolarHBondContact CA-OG 3.04Å; G177-S181 WeakPolarHBondContact O-CB 3.28Å; G177-S181 PolarHBondContact O-N 3.44Å; G177-S181 PolarHBondContact O-OG 2.02Å
178P89.9Confident95Very high59 Ų5951.2 Ų51.238%0.38325%0.25SC..THydrogen-bonded Turntrans-57.5130.8-175.1-26.735.5000112.4Y113 F180Y113-P178 HydrophobicContact CE1-CB 3.73Å; Y113-P178 PolarHBondContact OH-O 3.49Å; P178-F180 WeakPolarHBondContact O-CD2 3.39Å; P178-F180 PolarHBondContact O-N 3.02Å
179R92.4Very high95Very high156 Ų15651.5 Ų51.559%0.58925%0.25SC*.THydrogen-bonded Turntrans68.9-5.1-174.8-56.4-67.6-177.1179.5-8116.8Y113 N114 V117 G177 K183Y113-R179 HydrophobicContact CE1-CG 4.22Å; N114-R179 PolarHBondContact ND2-NH2 2.76Å; N114-R179 VanDerWaalsContact ND2-NH2 3.18Å; N114-R179 PolarHBondContact OD1-NE 3.5Å; N114-R179 PolarHBondContact OD1-NH2 2.96Å; V117-R179 HydrophobicContact CG1-CB 4.01Å; V117-R179 HydrophobicContact CG2-CB 4.2Å; V117-R179 HydrophobicContact CG2-CG 4.27Å; G177-R179 PolarHBondContact O-N 2.95Å; R179-K183 WeakPolarHBondContact O-CG 3.18Å
180F93.8Very high94.9Very high7 Ų751.1 Ų51.13%0.03125%0.249CC..THydrogen-bonded Turntrans-119.3-34.5178.7-61.5-85.5000114V117 L151 H154 F158 A176 G177 P178 R182 K183 S187 R188V117-F180 HydrophobicContact CB-CZ 4.49Å; V117-F180 HydrophobicContact CG1-CE2 4.01Å; V117-F180 HydrophobicContact CG1-CZ 3.77Å; V117-F180 HydrophobicContact CG2-CE2 3.97Å; V117-F180 HydrophobicContact CG2-CZ 4.4Å; L151-F180 HydrophobicContact CD2-CD2 4.44Å; L151-F180 HydrophobicContact CD2-CE2 3.43Å; L151-F180 VanDerWaalsContact CD2-CE2 3.43Å; L151-F180 HydrophobicContact CD2-CZ 3.97Å; H154-F180 HydrophobicContact CB-CD1 4.17Å; H154-F180 HydrophobicContact CB-CE1 3.69Å; H154-F180 HydrophobicContact CB-CZ 4Å; H154-F180 AromaticContact CD2-CD1 3.37Å; H154-F180 WeakPolarHBondContact CD2-CD1 3.35Å; H154-F180 AromaticContact CD2-CD2 3.27Å; H154-F180 WeakPolarHBondContact CD2-CD2 3.33Å; H154-F180 AromaticContact CD2-CE1 3.5Å; H154-F180 VanDerWaalsContact CD2-CE1 3.5Å; H154-F180 WeakPolarHBondContact CD2-CE1 3.35Å; H154-F180 AromaticContact CD2-CE2 3.42Å; H154-F180 VanDerWaalsContact CD2-CE2 3.42Å; H154-F180 WeakPolarHBondContact CD2-CE2 3.3Å; H154-F180 AromaticContact CD2-CG 3.25Å; H154-F180 WeakPolarHBondContact CD2-CG 3.25Å; H154-F180 AromaticContact CD2-CZ 3.51Å; H154-F180 AromaticContact CE1-CG 3.92Å; H154-F180 AromaticContact CG-CD1 3.57Å; H154-F180 AromaticContact CG-CE1 3.58Å; H154-F180 AromaticContact CG-CG 3.93Å; H154-F180 AromaticContact CG-CZ 3.94Å; H154-F180 WeakPolarHBondContact NE2-CB 2.94Å; H154-F180 AromaticContact NE2-CD1 3.72Å; H154-F180 AromaticContact NE2-CD2 3.48Å; H154-F180 WeakPolarHBondContact NE2-CD2 3.5Å; H154-F180 AromaticContact NE2-CG 3.25Å; H154-F180 VanDerWaalsContact NE2-CG 3.25Å; H154-F180 WeakPolarHBondContact NE2-CG 3.46Å; F158-F180 HydrophobicContact CE2-CE1 4.19Å; F158-F180 HydrophobicContact CZ-CE1 4.03Å; A176-F180 HydrophobicContact CB-CD2 4.47Å; A176-F180 WeakPolarHBondContact O-CB 3.34Å; A176-F180 WeakPolarHBondContact O-CD2 3.39Å; G177-F180 PolarHBondContact O-N 2.62Å; P178-F180 WeakPolarHBondContact O-CD2 3.39Å; P178-F180 PolarHBondContact O-N 3.02Å; F180-R182 PolarHBondContact O-N 3.45Å; F180-K183 WeakPolarHBondContact O-CB 3.49Å; F180-K183 WeakPolarHBondContact O-CG 3.29Å; F180-K183 PolarHBondContact O-N 3.33Å; F180-S187 VanDerWaalsContact CD1-O 3.26Å; F180-S187 WeakPolarHBondContact CD1-O 3.26Å; F180-R188 HydrophobicContact CB-CB 4.11Å; F180-R188 HydrophobicContact CD1-CB 4.01Å
181S89.9Confident94.7Very high82 Ų8255.2 Ų55.257%0.57327%0.265SS*.THydrogen-bonded Turntrans-54.5134.3178.8-72.60000111.3G177 K183G177-S181 VanDerWaalsContact CA-OG 3.23Å; G177-S181 WeakPolarHBondContact CA-OG 3.04Å; G177-S181 WeakPolarHBondContact O-CB 3.28Å; G177-S181 PolarHBondContact O-N 3.44Å; G177-S181 PolarHBondContact O-OG 2.02Å; S181-K183 PolarHBondContact O-N 3.24Å
182R89.3Confident94.5Very high256 Ų25658.5 Ų58.597%0.96629%0.285SS*.THydrogen-bonded Turntrans609.9-177-54.1178.2179160.8-0.6115F180F180-R182 PolarHBondContact O-N 3.45Å
183K93.8Very high94.5Very high104 Ų10458.6 Ų58.645%0.45229%0.285SS..  trans-75.7154.7171.6-65.1-62.2-176.8-1780111.3R179 F180 S181 R188R179-K183 WeakPolarHBondContact O-CG 3.18Å; F180-K183 WeakPolarHBondContact O-CB 3.49Å; F180-K183 WeakPolarHBondContact O-CG 3.29Å; F180-K183 PolarHBondContact O-N 3.33Å; S181-K183 PolarHBondContact O-N 3.24Å; K183-R188 WeakPolarHBondContact O-CD 3.33Å; K183-R188 PolarHBondContact O-NE 3.39Å
184P95.9Very high94.5Very high49 Ų4959 Ų5932%0.31829%0.289SS..  trans-62.4156.6176.826.1-36.4000111.7Y186 S187P184-Y186 VanDerWaalsContact C-N 3.26Å; P184-Y186 HydrophobicContact CB-CD1 3.67Å; P184-Y186 HydrophobicContact CB-CE1 3.39Å; P184-Y186 HydrophobicContact CG-CD1 3.72Å; P184-Y186 HydrophobicContact CG-CE1 3.07Å; P184-Y186 HydrophobicContact CG-CE2 4.26Å; P184-Y186 PolarHBondContact O-N 3.07Å; P184-Y186 VanDerWaalsContact O-N 3.13Å; P184-S187 PolarHBondContact O-N 3.24Å
185P95.2Very high94.4Very high62 Ų6263.8 Ų63.840%0.40331%0.309SS..G310 helixtrans-48.5-42.3-176.2-30.736.6000114.3K161 S187 R188 D190K161-P185 WeakPolarHBondContact CE-O 3.34Å; K161-P185 PolarHBondContact NZ-O 3.4Å; P185-S187 PolarHBondContact O-N 3.23Å; P185-R188 PolarHBondContact O-N 3.09Å; P185-D190 HydrophobicContact CB-CB 4.02Å
186Y95.7Very high94.3Very high160 Ų16063.9 Ų63.963%0.62731%0.308SS*.G310 helixtrans-62.3-15.9-179.972.1-95.8000114.7K161 P184K161-Y186 VanDerWaalsContact CE-CA 3.4Å; P184-Y186 VanDerWaalsContact C-N 3.26Å; P184-Y186 HydrophobicContact CB-CD1 3.67Å; P184-Y186 HydrophobicContact CB-CE1 3.39Å; P184-Y186 HydrophobicContact CG-CD1 3.72Å; P184-Y186 HydrophobicContact CG-CE1 3.07Å; P184-Y186 HydrophobicContact CG-CE2 4.26Å; P184-Y186 PolarHBondContact O-N 3.07Å; P184-Y186 VanDerWaalsContact O-N 3.13Å
187S96.6Very high94.4Very high18 Ų1865 Ų6513%0.12631%0.314CS..G310 helixtrans-106.20.7-175.8-73.10000114.9R121 F158 F180 P184 P185R121-S187 PolarHBondContact NH2-OG 3Å; F158-S187 WeakPolarHBondContact CZ-O 3.4Å; F180-S187 VanDerWaalsContact CD1-O 3.26Å; F180-S187 WeakPolarHBondContact CD1-O 3.26Å; P184-S187 PolarHBondContact O-N 3.24Å; P185-S187 PolarHBondContact O-N 3.23Å
188R97.3Very high94.7Very high41 Ų4164.6 Ų64.616%0.15531%0.305CS..SBendtrans-149.8178.3-178.458.2167.7177.672.412.9110.9K161 F180 K183 P185 D190K161-R188 WeakPolarHBondContact CE-O 3.28Å; K161-R188 PolarHBondContact NZ-O 2.88Å; F180-R188 HydrophobicContact CB-CB 4.11Å; F180-R188 HydrophobicContact CD1-CB 4.01Å; K183-R188 WeakPolarHBondContact O-CD 3.33Å; K183-R188 PolarHBondContact O-NE 3.39Å; P185-R188 PolarHBondContact O-N 3.09Å; R188-D190 IonicContact CZ-OD2 2.74Å; R188-D190 VanDerWaalsContact CZ-OD2 3.25Å; R188-D190 IonicContact NH1-OD2 2.67Å; R188-D190 PolarHBondContact NH1-OD2 3.34Å; R188-D190 IonicContact NH2-OD2 3.55Å; R188-D190 PolarHBondContact NH2-OD2 3.01Å
189L98.1Very high95.1Very high14 Ų1464.5 Ų64.57%0.07330%0.304CS..  trans-63.9134.6166.5176.264000109.1A153 H154 I170 P175 D193 V197 V199A153-L189 HydrophobicContact CB-CD2 4.2Å; H154-L189 PolarHBondContact ND1-N 3.06Å; I170-L189 HydrophobicContact CB-CD1 4.5Å; I170-L189 HydrophobicContact CD1-CD1 4.17Å; I170-L189 HydrophobicContact CG2-CD1 3.73Å; I170-L189 HydrophobicContact CG2-CD2 4.35Å; P175-L189 HydrophobicContact CG-CD2 4.25Å; L189-D193 WeakPolarHBondContact CA-OD2 3.48Å; L189-D193 HydrophobicContact CD1-CB 4.38Å; L189-V197 HydrophobicContact CD1-CG1 4.22Å; L189-V197 HydrophobicContact CD2-CG1 4.43Å; L189-V197 HydrophobicContact CG-CG1 4.4Å; L189-V199 HydrophobicContact CD2-CG2 4.12Å
190D96.1Very high95.3Very high6 Ų657.6 Ų57.63%0.03228%0.278CS..  trans-141.7161.6178.7-159.3-90.5000111.6P185 R188 T192 D193 R282P185-D190 HydrophobicContact CB-CB 4.02Å; R188-D190 IonicContact CZ-OD2 2.74Å; R188-D190 VanDerWaalsContact CZ-OD2 3.25Å; R188-D190 IonicContact NH1-OD2 2.67Å; R188-D190 PolarHBondContact NH1-OD2 3.34Å; R188-D190 IonicContact NH2-OD2 3.55Å; R188-D190 PolarHBondContact NH2-OD2 3.01Å; D190-T192 PolarHBondContact O-N 3.24Å; D190-T192 PolarHBondContact OD1-N 3.2Å; D190-D193 PolarHBondContact N-OD2 3.43Å; D190-D193 VanDerWaalsContact O-CB 3.32Å; D190-D193 WeakPolarHBondContact O-CB 3.34Å; D190-D193 VanDerWaalsContact O-CG 3.25Å; D190-D193 PolarHBondContact O-N 3.22Å; D190-D193 VanDerWaalsContact O-N 3.15Å; D190-R282 IonicContact OD2-NH2 3.66Å; D190-R282 PolarHBondContact OD2-NH2 2.83Å
191Y93.8Very high95.3Very high85 Ų8563.3 Ų63.333%0.33331%0.305SS..G310 helixtrans-67.4-20.7-175.175-82.9000112.3D193 M276 L281Y191-D193 PolarHBondContact O-N 3.05Å; Y191-M276 HydrophobicContact CD2-CE 4.21Å; Y191-M276 HydrophobicContact CE2-CE 4.35Å; Y191-L281 HydrophobicContact CE1-CB 4.35Å; Y191-L281 HydrophobicContact CE1-CD1 4.35Å; Y191-L281 HydrophobicContact CE2-CB 4.17Å; Y191-L281 HydrophobicContact CE2-CD1 4.4Å; Y191-L281 HydrophobicContact CE2-CD2 3.93Å; Y191-L281 HydrophobicContact CE2-CG 4.39Å; Y191-L281 WeakPolarHBondContact OH-CD1 3.09Å
192T94.6Very high95.3Very high70 Ų7061 Ų6143%0.42929%0.289SS..G310 helixtrans-75.5-7.3176.260.60000113.9G165 D190 A194G165-T192 WeakPolarHBondContact CA-O 3.3Å; D190-T192 PolarHBondContact O-N 3.24Å; D190-T192 PolarHBondContact OD1-N 3.2Å; T192-A194 VanDerWaalsContact C-N 3.3Å; T192-A194 PolarHBondContact O-N 2.78Å
193D97.9Very high94.7Very high1 Ų150.4 Ų50.41%0.00525%0.251CS..G310 helixtrans-80.7-10.5-171.2-62.3-19.7000113.4G157 G160 K161 I170 L189 D190 Y191G157-D193 WeakPolarHBondContact CA-OD2 3.23Å; G160-D193 CarbonylContact C-O 3.55Å; G160-D193 WeakPolarHBondContact CA-O 3.05Å; K161-D193 VanDerWaalsContact CG-OD1 3.27Å; K161-D193 WeakPolarHBondContact CG-OD1 3.38Å; K161-D193 IonicContact NZ-OD1 2.84Å; K161-D193 PolarHBondContact NZ-OD1 3.45Å; K161-D193 IonicContact NZ-OD2 2.8Å; K161-D193 PolarHBondContact NZ-OD2 3.12Å; I170-D193 HydrophobicContact CD1-CB 3.64Å; I170-D193 WeakPolarHBondContact CD1-O 3.49Å; L189-D193 WeakPolarHBondContact CA-OD2 3.48Å; L189-D193 HydrophobicContact CD1-CB 4.38Å; D190-D193 PolarHBondContact N-OD2 3.43Å; D190-D193 VanDerWaalsContact O-CB 3.32Å; D190-D193 WeakPolarHBondContact O-CB 3.34Å; D190-D193 VanDerWaalsContact O-CG 3.25Å; D190-D193 PolarHBondContact O-N 3.22Å; D190-D193 VanDerWaalsContact O-N 3.15Å; Y191-D193 PolarHBondContact O-N 3.05Å
194A97.3Very high93.3Very high8 Ų850.2 Ų50.27%0.06626%0.263CS..BIsolated β-bridgetrans-154.7166.5175.300000110.7G165 L167 I170 T192 F196 V197G165-A194 CarbonylContact O-C 3.52Å; G165-A194 VanDerWaalsContact O-C 3.25Å; G165-A194 VanDerWaalsContact O-CA 3.25Å; G165-A194 WeakPolarHBondContact O-CA 3.4Å; L167-A194 HydrophobicContact CB-CB 3.97Å; L167-A194 CarbonylContact O-C 3.45Å; L167-A194 WeakPolarHBondContact O-CA 3.28Å; L167-A194 VanDerWaalsContact O-CB 3.32Å; L167-A194 WeakPolarHBondContact O-CB 3.39Å; I170-A194 HydrophobicContact CB-CB 4.27Å; I170-A194 HydrophobicContact CD1-CB 3.76Å; I170-A194 HydrophobicContact CG1-CB 3.77Å; T192-A194 VanDerWaalsContact C-N 3.3Å; T192-A194 PolarHBondContact O-N 2.78Å; A194-F196 PolarHBondContact O-N 3.41Å; A194-F196 VanDerWaalsContact O-N 3.17Å; A194-V197 HydrophobicContact CB-CG2 3.87Å
195K94.7Very high91.5Very high107 Ų10754.4 Ų54.447%0.46528%0.282SS..SBendtrans-61.6-20.4171.1-64-173.9178.2-175.70112.9D142 G165 L167 K269D142-K195 VanDerWaalsContact OD1-CD 3.24Å; D142-K195 WeakPolarHBondContact OD1-CD 3.34Å; D142-K195 WeakPolarHBondContact OD1-CE 3.49Å; D142-K195 IonicContact OD1-NZ 2.65Å; D142-K195 PolarHBondContact OD1-NZ 3.34Å; D142-K195 IonicContact OD2-NZ 2.67Å; D142-K195 PolarHBondContact OD2-NZ 3.42Å; G165-K195 PolarHBondContact O-N 2.99Å; L167-K195 PolarHBondContact O-N 2.6Å; K195-K269 WeakPolarHBondContact O-CE 2.89Å
196F94.8Very high89.3Confident22 Ų2254.5 Ų54.510%0.09630%0.295CS..  trans-151.7126.8172.1-177.1-120.8000110G168 R169 I170 A194 D198 A265 K269 L272G168-F196 PolarHBondContact O-N 3.47Å; R169-F196 CarbonylContact C-O 3.52Å; R169-F196 VanDerWaalsContact CA-O 3.26Å; R169-F196 WeakPolarHBondContact CA-O 3.4Å; R169-F196 HydrophobicContact CG-CD1 3.84Å; I170-F196 PolarHBondContact N-O 2.77Å; A194-F196 PolarHBondContact O-N 3.41Å; A194-F196 VanDerWaalsContact O-N 3.17Å; F196-D198 HydrophobicContact CE1-CB 4.01Å; F196-D198 HydrophobicContact CZ-CB 4.06Å; F196-A265 HydrophobicContact CE1-CB 4.33Å; F196-A265 HydrophobicContact CZ-CB 4.29Å; F196-A265 WeakPolarHBondContact CZ-O 3.27Å; F196-K269 HydrophobicContact CB-CD 3.87Å; F196-K269 HydrophobicContact CB-CG 4.14Å; F196-K269 HydrophobicContact CD2-CB 4.11Å; F196-K269 HydrophobicContact CD2-CG 4.06Å; F196-K269 HydrophobicContact CE2-CB 4.41Å; F196-K269 HydrophobicContact CG-CB 4.33Å; F196-K269 HydrophobicContact CG-CD 4.27Å; F196-K269 HydrophobicContact CG-CG 4.16Å; F196-L272 HydrophobicContact CE2-CD1 3.98Å
197V95.9Very high86.8Confident33 Ų3354 Ų5420%0.230%0.301CS..EExtended strand (participates in β ladder)trans-124.7121177.3-1770000109.2I170 L189 A194 V199I170-V197 HydrophobicContact CB-CG2 4.32Å; I170-V197 VanDerWaalsContact O-CA 3.29Å; I170-V197 WeakPolarHBondContact O-CA 3.19Å; L189-V197 HydrophobicContact CD1-CG1 4.22Å; L189-V197 HydrophobicContact CD2-CG1 4.43Å; L189-V197 HydrophobicContact CG-CG1 4.4Å; A194-V197 HydrophobicContact CB-CG2 3.87Å; V197-V199 HydrophobicContact CG1-CG2 4.27Å
198D96.4Very high84.2Confident16 Ų1659.2 Ų59.29%0.08632%0.324CS..EExtended strand (participates in β ladder)trans-122141.517562.3-64.4000110.6R169 I170 T171 G172 F196 A265R169-D198 IonicContact CZ-OD1 2.67Å; R169-D198 IonicContact CZ-OD2 2.79Å; R169-D198 IonicContact NE-OD1 3.92Å; R169-D198 PolarHBondContact NE-OD1 2.67Å; R169-D198 IonicContact NE-OD2 2.61Å; R169-D198 VanDerWaalsContact NH2-CG 3.27Å; R169-D198 IonicContact NH2-OD1 2.78Å; R169-D198 PolarHBondContact NH2-OD1 3.09Å; R169-D198 IonicContact NH2-OD2 3.43Å; R169-D198 PolarHBondContact NH2-OD2 2.94Å; I170-D198 PolarHBondContact O-N 3.18Å; T171-D198 CarbonylContact C-O 3.46Å; T171-D198 VanDerWaalsContact CA-O 3.24Å; T171-D198 WeakPolarHBondContact CA-O 3.46Å; T171-D198 WeakPolarHBondContact CG2-OD2 3.32Å; T171-D198 PolarHBondContact OG1-OD1 3.29Å; T171-D198 PolarHBondContact OG1-OD2 2.7Å; T171-D198 VanDerWaalsContact OG1-OD2 3.13Å; G172-D198 PolarHBondContact N-O 3.34Å; F196-D198 HydrophobicContact CE1-CB 4.01Å; F196-D198 HydrophobicContact CZ-CB 4.06Å; D198-A265 HydrophobicContact CB-CB 4.29Å
199V96.8Very high82Confident58 Ų5864.4 Ų64.435%0.35235%0.348SS..EExtended strand (participates in β ladder)trans-134.6131.8-173.3-177.60000110G172 P175 L189 V197 H201G172-V199 WeakPolarHBondContact O-CA 3.34Å; P175-V199 HydrophobicContact CG-CG1 3.58Å; L189-V199 HydrophobicContact CD2-CG2 4.12Å; V197-V199 HydrophobicContact CG1-CG2 4.27Å; V199-H201 WeakPolarHBondContact CG1-NE2 3.44Å
200I96.6Very high80Confident11 Ų1166.9 Ų66.96%0.05636%0.36CS..EExtended strand (participates in β ladder)trans-106116.9172.7-58.5175000107.6G172 L173 D174 A217 F221 L261G172-I200 PolarHBondContact O-N 3.26Å; L173-I200 HydrophobicContact CD2-CB 4.37Å; L173-I200 HydrophobicContact CD2-CD1 3.79Å; L173-I200 HydrophobicContact CD2-CG1 4.32Å; D174-I200 VanDerWaalsContact CA-O 3.24Å; D174-I200 WeakPolarHBondContact CA-O 3.24Å; D174-I200 PolarHBondContact N-O 3.49Å; I200-A217 HydrophobicContact CB-CB 4.11Å; I200-A217 HydrophobicContact CG2-CB 3.73Å; I200-F221 HydrophobicContact CD1-CB 4.16Å; I200-F221 HydrophobicContact CD1-CD2 4.06Å; I200-L261 HydrophobicContact CD1-CD1 4.23Å; I200-L261 HydrophobicContact CD1-CD2 3.88Å; I200-L261 HydrophobicContact CD1-CG 3.83Å; I200-L261 HydrophobicContact CG1-CD1 4.23Å; I200-L261 HydrophobicContact CG1-CG 4.14Å; I200-L261 HydrophobicContact CG2-CD1 4Å
201H94.4Very high78.2Confident127 Ų12772.6 Ų72.659%0.58839%0.385SS*.  trans-99.5123.1172.2-69.1-73.1000109.4V199V199-H201 WeakPolarHBondContact CG1-NE2 3.44Å
202S89.9Confident76.7Confident33 Ų3373 Ų7323%0.23140%0.4CS..SBendtrans-124.4-11177.360.70000113.6D174 N213 A217D174-S202 PolarHBondContact OD1-N 3.46Å; S202-N213 WeakPolarHBondContact CB-O 3.48Å; S202-N213 PolarHBondContact OG-O 2.97Å; S202-A217 WeakPolarHBondContact OG-CB 3.46Å; S202-A217 PolarHBondContact OG-N 3.01Å; S202-A217 VanDerWaalsContact OG-N 3.09Å
203D78Confident75.6Confident34 Ų3473.1 Ų73.118%0.18240%0.397CS..  trans-13467.7173.8-166.48000111.8D174 N205 N213D174-D203 PolarHBondContact OD1-N 3.12Å; D174-D203 VanDerWaalsContact OD1-N 3.11Å; D174-D203 WeakPolarHBondContact OD2-CB 3.43Å; D203-N205 VanDerWaalsContact C-N 3.32Å; D203-N205 PolarHBondContact O-N 2.69Å; D203-N213 HydrophobicContact CB-CB 3.93Å
204S63.1Low74.7Confident99 Ų9975 Ų7569%0.69241%0.406SS*.THydrogen-bonded Turntrans-80.2-8.6-174.7600000114.7G206S204-G206 VanDerWaalsContact C-N 3.29Å; S204-G206 PolarHBondContact O-N 2.94Å
205N58.6Low74.1Confident137 Ų13776.9 Ų76.973%0.73341%0.413SS*.THydrogen-bonded Turntrans-80.6-6.3-176.4-73.9-7.9000113.7D203 I207D203-N205 VanDerWaalsContact C-N 3.32Å; D203-N205 PolarHBondContact O-N 2.69Å; N205-I207 WeakPolarHBondContact O-CG1 3.16Å; N205-I207 PolarHBondContact O-N 3.38Å
206G48.2Very low74Confident64 Ų6474.2 Ų74.266%0.6640%0.4SS*.  trans61.32161.800000117.6S204S204-G206 VanDerWaalsContact C-N 3.29Å; S204-G206 PolarHBondContact O-N 2.94Å
207I44.6Very low73.9Confident149 Ų14973.2 Ų73.276%0.76440%0.396SS*.SBendtrans-113.9-10.6-168.6-69.9175.1000113.5N205N205-I207 WeakPolarHBondContact O-CG1 3.16Å; N205-I207 PolarHBondContact O-N 3.38Å
208Q41.1Very low73.9Confident128 Ų12871.6 Ų71.660%0.59839%0.386SS*.  trans-140.5127.4172.9-67.9176.9-9.100110.5I210Q208-I210 HydrophobicContact CB-CD1 4.19Å; Q208-I210 HydrophobicContact CB-CG1 3.75Å; Q208-I210 PolarHBondContact O-N 3.13Å
209F51.1Low73.9Confident151 Ų15174.2 Ų74.266%0.66240%0.398SS*.  trans-65.961.8164.4-84-92.9000109.6Y74 Y113 K211Y74-F209 HydrophobicContact CD1-CE1 4.37Å; Y113-F209 HydrophobicContact CD2-CZ 4.28Å; Y113-F209 HydrophobicContact CE2-CE1 4.46Å; Y113-F209 HydrophobicContact CE2-CZ 4.06Å; F209-K211 PolarHBondContact O-N 3.16Å; F209-K211 VanDerWaalsContact O-N 3.11Å
210I55.5Low73.8Confident66 Ų6672 Ų7234%0.33838%0.384SS..  trans-79100170.7-60.7180000106.2Q208 C212 N213 H214Q208-I210 HydrophobicContact CB-CD1 4.19Å; Q208-I210 HydrophobicContact CB-CG1 3.75Å; Q208-I210 PolarHBondContact O-N 3.13Å; I210-C212 HydrophobicContact CG2-CB 3.91Å; I210-C212 PolarHBondContact O-N 3.44Å; I210-N213 PolarHBondContact O-N 3.05Å; I210-H214 PolarHBondContact O-N 3.39Å; I210-H214 VanDerWaalsContact O-N 3.16Å
211K60Low73.8Confident125 Ų12571.5 Ų71.554%0.54338%0.381SS..Hα-helixtrans-45-34.7176.7-173.7180175.6-174.80112.5F209 Q215F209-K211 PolarHBondContact O-N 3.16Å; F209-K211 VanDerWaalsContact O-N 3.11Å; K211-Q215 HydrophobicContact CG-CG 4.39Å; K211-Q215 VanDerWaalsContact O-CB 3.28Å; K211-Q215 WeakPolarHBondContact O-CB 3.13Å; K211-Q215 WeakPolarHBondContact O-CG 3.46Å; K211-Q215 PolarHBondContact O-N 2.79Å
212C61.1Low73.9Confident95 Ų9565.9 Ų65.964%0.64236%0.355SS*.Hα-helixtrans-64.4-52.5178.2-164.50000113.2I210 H214 Q215 R216I210-C212 HydrophobicContact CG2-CB 3.91Å; I210-C212 PolarHBondContact O-N 3.44Å; C212-H214 VanDerWaalsContact C-N 3.33Å; C212-H214 PolarHBondContact O-N 3.38Å; C212-Q215 PolarHBondContact O-N 3.15Å; C212-R216 PolarHBondContact O-N 2.87Å; C212-R216 VanDerWaalsContact O-N 3.16Å
213N72.3Confident74.2Confident71 Ų7164.3 Ų64.338%0.3834%0.344SS..Hα-helixtrans-66.4-38.2-179.5-66.5-14.3000111.4S202 D203 I210 Q215 R216S202-N213 WeakPolarHBondContact CB-O 3.48Å; S202-N213 PolarHBondContact OG-O 2.97Å; D203-N213 HydrophobicContact CB-CB 3.93Å; I210-N213 PolarHBondContact O-N 3.05Å; N213-Q215 PolarHBondContact O-N 2.75Å; N213-R216 VanDerWaalsContact O-CB 3.27Å; N213-R216 WeakPolarHBondContact O-CB 3.39Å; N213-R216 PolarHBondContact O-N 3.11Å
214H78.7Confident75.1Confident41 Ų4163.1 Ų63.119%0.1934%0.339CS..Hα-helixtrans-67-36.4178.4-168.954.7000113S150 D174 I210 C212 R216S150-H214 WeakPolarHBondContact CB-NE2 3.15Å; S150-H214 PolarHBondContact OG-CE1 2.9Å; S150-H214 PolarHBondContact OG-NE2 3.18Å; D174-H214 PolarHBondContact O-CE1 2.93Å; D174-H214 IonicContact OD2-CE1 3.24Å; D174-H214 IonicContact OD2-CG 3.04Å; D174-H214 IonicContact OD2-ND1 3.75Å; D174-H214 PolarHBondContact OD2-ND1 3.14Å; I210-H214 PolarHBondContact O-N 3.39Å; I210-H214 VanDerWaalsContact O-N 3.16Å; C212-H214 VanDerWaalsContact C-N 3.33Å; C212-H214 PolarHBondContact O-N 3.38Å; H214-R216 VanDerWaalsContact C-N 3.3Å
215Q84.7Confident76.5Confident47 Ų4759.4 Ų59.422%0.2231%0.311CS..Hα-helixtrans-77.9-15.6177.1-72.8-177.7-22.300113.1K211 C212 N213 A217 V218 H219K211-Q215 HydrophobicContact CG-CG 4.39Å; K211-Q215 VanDerWaalsContact O-CB 3.28Å; K211-Q215 WeakPolarHBondContact O-CB 3.13Å; K211-Q215 WeakPolarHBondContact O-CG 3.46Å; K211-Q215 PolarHBondContact O-N 2.79Å; C212-Q215 PolarHBondContact O-N 3.15Å; N213-Q215 PolarHBondContact O-N 2.75Å; Q215-A217 VanDerWaalsContact C-N 3.3Å; Q215-A217 PolarHBondContact O-N 3.18Å; Q215-V218 WeakPolarHBondContact O-CB 3.48Å; Q215-V218 PolarHBondContact O-N 3.5Å; Q215-H219 PolarHBondContact O-CD2 2.65Å; Q215-H219 VanDerWaalsContact O-CD2 3.31Å; Q215-H219 PolarHBondContact O-N 2.99Å
216R91.6Very high78.2Confident52 Ų5257.6 Ų57.620%0.19630%0.298CS..Hα-helixtrans-59.2-37.8-176.8-17561.2178.6-144.2-6.1113C212 N213 H214 V218 H219 L220 T289 S290 G291 F295C212-R216 PolarHBondContact O-N 2.87Å; C212-R216 VanDerWaalsContact O-N 3.16Å; N213-R216 VanDerWaalsContact O-CB 3.27Å; N213-R216 WeakPolarHBondContact O-CB 3.39Å; N213-R216 PolarHBondContact O-N 3.11Å; H214-R216 VanDerWaalsContact C-N 3.3Å; R216-V218 PolarHBondContact O-N 2.98Å; R216-H219 PolarHBondContact O-N 3.35Å; R216-L220 HydrophobicContact CG-CD1 4.06Å; R216-L220 HydrophobicContact CG-CG 4.25Å; R216-L220 WeakPolarHBondContact O-CG 3.24Å; R216-L220 PolarHBondContact O-N 2.97Å; R216-T289 PolarHBondContact NH2-OG1 3.32Å; R216-T289 VanDerWaalsContact NH2-OG1 3.12Å; R216-S290 PolarHBondContact NH2-O 2.85Å; R216-G291 PolarHBondContact NH1-O 2.84Å; R216-F295 VanDerWaalsContact NH1-CD1 3.25Å
217A94.3Very high80.3Confident0 Ų055.8 Ų55.80%028%0.275CS..Hα-helixtrans-57.6-35.9174.900000113L173 D174 I200 S202 Q215 F221L173-A217 HydrophobicContact CB-CB 4.17Å; D174-A217 HydrophobicContact CB-CB 3.85Å; I200-A217 HydrophobicContact CB-CB 4.11Å; I200-A217 HydrophobicContact CG2-CB 3.73Å; S202-A217 WeakPolarHBondContact OG-CB 3.46Å; S202-A217 PolarHBondContact OG-N 3.01Å; S202-A217 VanDerWaalsContact OG-N 3.09Å; Q215-A217 VanDerWaalsContact C-N 3.3Å; Q215-A217 PolarHBondContact O-N 3.18Å; A217-F221 WeakPolarHBondContact O-CB 3.44Å; A217-F221 PolarHBondContact O-N 3.33Å
218V95.4Very high82.5Confident0 Ų056 Ų560%028%0.277CS..Hα-helixtrans-66.5-48.4176.4-177.50000110.7W83 F87 V149 L173 Q215 R216 L220 F221 M222W83-V218 HydrophobicContact CB-CG1 4.16Å; W83-V218 HydrophobicContact CD2-CG1 3.68Å; W83-V218 HydrophobicContact CE3-CG1 3.93Å; W83-V218 HydrophobicContact CG-CG1 3.77Å; F87-V218 HydrophobicContact CD1-CG1 3.84Å; F87-V218 HydrophobicContact CE1-CG1 3.94Å; V149-V218 HydrophobicContact CB-CG2 4.47Å; V149-V218 HydrophobicContact CG1-CG2 3.78Å; V149-V218 HydrophobicContact CG2-CG2 3.77Å; L173-V218 HydrophobicContact CB-CG2 4.45Å; L173-V218 HydrophobicContact CD1-CG2 4.17Å; Q215-V218 WeakPolarHBondContact O-CB 3.48Å; Q215-V218 PolarHBondContact O-N 3.5Å; R216-V218 PolarHBondContact O-N 2.98Å; V218-L220 VanDerWaalsContact C-N 3.35Å; V218-L220 PolarHBondContact O-N 3.35Å; V218-F221 PolarHBondContact O-N 2.89Å; V218-M222 HydrophobicContact CG1-CG 4.5Å; V218-M222 HydrophobicContact CG1-SD 3.87Å; V218-M222 WeakPolarHBondContact O-CG 3.5Å; V218-M222 PolarHBondContact O-N 2.8Å
219H95.2Very high84.8Confident71 Ų7150.3 Ų50.333%0.32925%0.252SS..Hα-helixtrans-65-37.2179.7-68.9-68.7000112.9Q215 R216 M222 A223 F295Q215-H219 PolarHBondContact O-CD2 2.65Å; Q215-H219 VanDerWaalsContact O-CD2 3.31Å; Q215-H219 PolarHBondContact O-N 2.99Å; R216-H219 PolarHBondContact O-N 3.35Å; H219-M222 PolarHBondContact O-N 3.28Å; H219-A223 VanDerWaalsContact O-CB 3.29Å; H219-A223 WeakPolarHBondContact O-CB 3.37Å; H219-A223 PolarHBondContact O-N 3.26Å; H219-F295 HydrophobicContact CB-CE2 3.87Å; H219-F295 HydrophobicContact CB-CZ 4.2Å
220L96.1Very high86.7Confident12 Ų1244.5 Ų44.56%0.06323%0.227CC..Hα-helixtrans-65.8-41.3174.1-70.3173.4000111.9R216 V218 A223 S224 F231 L261 T289 F295R216-L220 HydrophobicContact CG-CD1 4.06Å; R216-L220 HydrophobicContact CG-CG 4.25Å; R216-L220 WeakPolarHBondContact O-CG 3.24Å; R216-L220 PolarHBondContact O-N 2.97Å; V218-L220 VanDerWaalsContact C-N 3.35Å; V218-L220 PolarHBondContact O-N 3.35Å; L220-A223 PolarHBondContact O-N 3.44Å; L220-S224 PolarHBondContact O-N 3.09Å; L220-F231 HydrophobicContact CD2-CE1 4.24Å; L220-L261 HydrophobicContact CB-CD2 3.9Å; L220-L261 HydrophobicContact CD1-CD1 4.47Å; L220-T289 HydrophobicContact CD2-CG2 3.79Å; L220-F295 HydrophobicContact CD2-CB 3.86Å; L220-F295 HydrophobicContact CD2-CD2 3.88Å; L220-F295 HydrophobicContact CD2-CG 4.03Å
221F96.8Very high88.4Confident0 Ų041.6 Ų41.60%021%0.212CC..Hα-helixtrans-64.3-44.6175.5-169.9-81.2000111.6F87 I147 T171 L173 I200 A217 V218 S224 L225 Y263F87-F221 AromaticContact CE2-CD1 3.56Å; F87-F221 HydrophobicContact CE2-CD1 3.56Å; F87-F221 AromaticContact CE2-CE1 3.78Å; F87-F221 HydrophobicContact CE2-CE1 3.78Å; F87-F221 AromaticContact CZ-CD1 3.34Å; F87-F221 HydrophobicContact CZ-CD1 3.34Å; F87-F221 AromaticContact CZ-CE1 3.72Å; F87-F221 HydrophobicContact CZ-CE1 3.72Å; F87-F221 HydrophobicContact CZ-CG 4.23Å; I147-F221 HydrophobicContact CD1-CE1 3.78Å; I147-F221 HydrophobicContact CD1-CZ 3.79Å; T171-F221 HydrophobicContact CG2-CD2 3.95Å; T171-F221 HydrophobicContact CG2-CE2 3.7Å; L173-F221 HydrophobicContact CD1-CB 4.3Å; L173-F221 HydrophobicContact CD1-CG 4.46Å; L173-F221 HydrophobicContact CD2-CB 3.84Å; L173-F221 HydrophobicContact CD2-CD2 3.85Å; L173-F221 HydrophobicContact CD2-CG 4.05Å; I200-F221 HydrophobicContact CD1-CB 4.16Å; I200-F221 HydrophobicContact CD1-CD2 4.06Å; A217-F221 WeakPolarHBondContact O-CB 3.44Å; A217-F221 PolarHBondContact O-N 3.33Å; V218-F221 PolarHBondContact O-N 2.89Å; F221-S224 WeakPolarHBondContact O-CB 3.25Å; F221-S224 PolarHBondContact O-N 2.87Å; F221-S224 PolarHBondContact O-OG 2.92Å; F221-L225 HydrophobicContact CD1-CD1 4.24Å; F221-L225 HydrophobicContact CE1-CD1 3.87Å; F221-Y263 HydrophobicContact CE1-CD2 4.23Å; F221-Y263 AromaticContact CZ-CD2 3.84Å; F221-Y263 HydrophobicContact CZ-CD2 3.84Å
222M96.5Very high89.9Confident8 Ų836 Ų364%0.03919%0.188CC..Hα-helixtrans-61.1-45.4175.2-71.4169.166.400111.9W83 N86 F87 I90 V218 H219 S224 L225 E226W83-M222 HydrophobicContact CB-SD 4.13Å; N86-M222 HydrophobicContact CB-CE 3.79Å; N86-M222 WeakPolarHBondContact ND2-CE 3.26Å; F87-M222 HydrophobicContact CB-CE 4.18Å; F87-M222 HydrophobicContact CB-CG 4.17Å; F87-M222 HydrophobicContact CB-SD 3.85Å; F87-M222 HydrophobicContact CD1-CG 4.16Å; F87-M222 HydrophobicContact CD1-SD 4.24Å; F87-M222 HydrophobicContact CD2-CG 3.6Å; F87-M222 HydrophobicContact CD2-SD 4.41Å; F87-M222 HydrophobicContact CE1-CG 4.48Å; F87-M222 HydrophobicContact CE2-CG 3.98Å; F87-M222 HydrophobicContact CG-CG 3.73Å; F87-M222 HydrophobicContact CG-SD 3.94Å; F87-M222 HydrophobicContact CZ-CG 4.4Å; I90-M222 HydrophobicContact CD1-CB 3.9Å; I90-M222 HydrophobicContact CD1-CE 3.44Å; I90-M222 VanDerWaalsContact CD1-CE 3.44Å; I90-M222 HydrophobicContact CD1-CG 4.16Å; V218-M222 HydrophobicContact CG1-CG 4.5Å; V218-M222 HydrophobicContact CG1-SD 3.87Å; V218-M222 WeakPolarHBondContact O-CG 3.5Å; V218-M222 PolarHBondContact O-N 2.8Å; H219-M222 PolarHBondContact O-N 3.28Å; M222-S224 PolarHBondContact O-N 3.48Å; M222-L225 WeakPolarHBondContact O-CB 3.25Å; M222-L225 PolarHBondContact O-N 2.65Å; M222-E226 PolarHBondContact O-N 3.29Å
223A96.1Very high91.3Very high0 Ų031.6 Ų31.60%016%0.158CC..Hα-helixtrans-61.5-32.1177.400000112.3H219 L220 L225 E226 T227 F231 Y293 F295H219-A223 VanDerWaalsContact O-CB 3.29Å; H219-A223 WeakPolarHBondContact O-CB 3.37Å; H219-A223 PolarHBondContact O-N 3.26Å; L220-A223 PolarHBondContact O-N 3.44Å; A223-L225 PolarHBondContact O-N 3.08Å; A223-E226 PolarHBondContact O-N 3Å; A223-T227 HydrophobicContact CB-CG2 4.29Å; A223-T227 WeakPolarHBondContact O-CB 3.46Å; A223-T227 PolarHBondContact O-N 2.98Å; A223-T227 VanDerWaalsContact O-N 3.08Å; A223-T227 PolarHBondContact O-OG1 3.44Å; A223-F231 HydrophobicContact CB-CE2 4.01Å; A223-F231 HydrophobicContact CB-CZ 3.84Å; A223-Y293 HydrophobicContact CB-CE2 4.14Å; A223-F295 HydrophobicContact CB-CD2 3.94Å; A223-F295 HydrophobicContact CB-CE2 4.38Å
224S95.4Very high92.1Very high9 Ų928.2 Ų28.26%0.06314%0.14CC..Hα-helixtrans-66.5-12.3175.379.80000114.7L220 F221 M222 G262 Y263L220-S224 PolarHBondContact O-N 3.09Å; F221-S224 WeakPolarHBondContact O-CB 3.25Å; F221-S224 PolarHBondContact O-N 2.87Å; F221-S224 PolarHBondContact O-OG 2.92Å; M222-S224 PolarHBondContact O-N 3.48Å; S224-G262 WeakPolarHBondContact OG-CA 3.36Å; S224-Y263 PolarHBondContact OG-N 2.91Å
225L94.1Very high92.6Very high22 Ų2227.2 Ų27.212%0.11514%0.137CC..Hα-helixtrans-104.7-43.2176.1-76.9167.5000111.6I90 L91 E94 F221 M222 A223 Y263I90-L225 HydrophobicContact CG2-CB 3.42Å; I90-L225 VanDerWaalsContact CG2-CB 3.42Å; I90-L225 HydrophobicContact CG2-CD1 3.87Å; I90-L225 HydrophobicContact CG2-CG 4.27Å; L91-L225 HydrophobicContact CD2-CD1 3.9Å; E94-L225 HydrophobicContact CB-CD2 3.96Å; E94-L225 HydrophobicContact CG-CD2 3.55Å; F221-L225 HydrophobicContact CD1-CD1 4.24Å; F221-L225 HydrophobicContact CE1-CD1 3.87Å; M222-L225 WeakPolarHBondContact O-CB 3.25Å; M222-L225 PolarHBondContact O-N 2.65Å; A223-L225 PolarHBondContact O-N 3.08Å; L225-Y263 HydrophobicContact CD1-CD2 4.27Å; L225-Y263 HydrophobicContact CD1-CG 4.31Å; L225-Y263 VanDerWaalsContact CD2-CB 3.41Å; L225-Y263 HydrophobicContact CD2-CD1 3.34Å; L225-Y263 HydrophobicContact CD2-CD2 3.94Å; L225-Y263 HydrophobicContact CD2-CE1 3.97Å; L225-Y263 HydrophobicContact CD2-CG 3.32Å; L225-Y263 HydrophobicContact CG-CD1 4.46Å; L225-Y263 HydrophobicContact CG-CD2 4.46Å; L225-Y263 HydrophobicContact CG-CG 4Å
226E94Very high92.7Very high98 Ų9825.6 Ų25.646%0.45813%0.131SC..Hα-helixtrans-85.4-17-170.9-170.9174.5-16300113.5I90 M222 A223 Y293I90-E226 HydrophobicContact CD1-CB 4.15Å; I90-E226 HydrophobicContact CD1-CG 4.44Å; I90-E226 WeakPolarHBondContact CD1-OE2 3.36Å; I90-E226 HydrophobicContact CG1-CB 4.38Å; I90-E226 HydrophobicContact CG1-CG 4.5Å; I90-E226 HydrophobicContact CG2-CB 4.38Å; M222-E226 PolarHBondContact O-N 3.29Å; A223-E226 PolarHBondContact O-N 3Å; E226-Y293 PolarHBondContact OE2-OH 3.45Å
227T92.6Very high92.4Very high27 Ų2734.3 Ų34.317%0.16616%0.164CC..SBendtrans-124.8161.8-171.178.60000111.9A223 C229 Y293 P294A223-T227 HydrophobicContact CB-CG2 4.29Å; A223-T227 WeakPolarHBondContact O-CB 3.46Å; A223-T227 PolarHBondContact O-N 2.98Å; A223-T227 VanDerWaalsContact O-N 3.08Å; A223-T227 PolarHBondContact O-OG1 3.44Å; T227-C229 PolarHBondContact O-N 3.18Å; T227-C229 WeakPolarHBondContact OG1-CB 3.4Å; T227-C229 PolarHBondContact OG1-N 3.49Å; T227-C229 PolarHBondContact OG1-SG 2.81Å; T227-C229 VanDerWaalsContact OG1-SG 3.33Å; T227-Y293 HydrophobicContact CG2-CE1 4.4Å; T227-Y293 HydrophobicContact CG2-CE2 4.09Å; T227-Y293 WeakPolarHBondContact CG2-OH 3.44Å; T227-P294 HydrophobicContact CG2-CB 3.63Å
228N89Confident92.1Very high154 Ų15436.2 Ų36.282%0.82418%0.177SC*.  trans-82.811.5173.1-63.9-27.1000113N230N228-N230 PolarHBondContact O-N 2.88Å; N228-N230 VanDerWaalsContact O-N 3.14Å
229C90.7Very high91.7Very high8 Ų841.5 Ų41.55%0.05420%0.198CC..  trans-65.7115.2178.5-61.90000110.6T227 F231 P294 C296T227-C229 PolarHBondContact O-N 3.18Å; T227-C229 WeakPolarHBondContact OG1-CB 3.4Å; T227-C229 PolarHBondContact OG1-N 3.49Å; T227-C229 PolarHBondContact OG1-SG 2.81Å; T227-C229 VanDerWaalsContact OG1-SG 3.33Å; C229-F231 HydrophobicContact CB-CD1 4.5Å; C229-F231 HydrophobicContact CB-CD2 4.03Å; C229-F231 HydrophobicContact CB-CE1 4.03Å; C229-F231 HydrophobicContact CB-CE2 3.5Å; C229-F231 HydrophobicContact CB-CG 4.5Å; C229-F231 HydrophobicContact CB-CZ 3.5Å; C229-F231 VanDerWaalsContact CB-CZ 3.5Å; C229-F231 WeakPolarHBondContact O-CD2 3.28Å; C229-F231 PolarHBondContact O-N 3.45Å; C229-P294 PolarHBondContact SG-O 3.49Å; C229-C296 WeakPolarHBondContact CA-SG 3.41Å; C229-C296 HydrophobicContact CB-CB 4.12Å; C229-C296 WeakPolarHBondContact CB-SG 3.48Å; C229-C296 WeakPolarHBondContact SG-CA 3.24Å; C229-C296 WeakPolarHBondContact SG-CB 3.48Å; C229-C296 PolarHBondContact SG-N 3.23Å; C229-C296 CovalentContact SG-SG 2.02Å; C229-C296 PolarHBondContact SG-SG 3.19Å
230N89.7Confident91.4Very high28 Ų2845.7 Ų45.715%0.1522%0.215CC..  trans-79.885.1169.8-80.9-29.3000109.8N228 I232 R260 T389 Y390N228-N230 PolarHBondContact O-N 2.88Å; N228-N230 VanDerWaalsContact O-N 3.14Å; N230-I232 PolarHBondContact O-N 3.01Å; N230-R260 VanDerWaalsContact OD1-CZ 3.3Å; N230-R260 PolarHBondContact OD1-NH1 3.07Å; N230-R260 VanDerWaalsContact OD1-NH1 3.13Å; N230-T389 HydrophobicContact CB-CG2 3.6Å; N230-Y390 WeakPolarHBondContact ND2-CD1 3.33Å; N230-Y390 WeakPolarHBondContact ND2-CE1 3.18Å
231F92.9Very high90.9Very high5 Ų547.3 Ų47.32%0.02222%0.224CC..  trans-68.768.3177.3-62.9-74.6000112.6L220 A223 C229 R260 L261 L287 T289 P294 F295L220-F231 HydrophobicContact CD2-CE1 4.24Å; A223-F231 HydrophobicContact CB-CE2 4.01Å; A223-F231 HydrophobicContact CB-CZ 3.84Å; C229-F231 HydrophobicContact CB-CD1 4.5Å; C229-F231 HydrophobicContact CB-CD2 4.03Å; C229-F231 HydrophobicContact CB-CE1 4.03Å; C229-F231 HydrophobicContact CB-CE2 3.5Å; C229-F231 HydrophobicContact CB-CG 4.5Å; C229-F231 HydrophobicContact CB-CZ 3.5Å; C229-F231 VanDerWaalsContact CB-CZ 3.5Å; C229-F231 WeakPolarHBondContact O-CD2 3.28Å; C229-F231 PolarHBondContact O-N 3.45Å; F231-R260 WeakPolarHBondContact O-CA 3.44Å; F231-L261 HydrophobicContact CB-CB 3.86Å; F231-L261 HydrophobicContact CB-CD2 4.4Å; F231-L261 HydrophobicContact CG-CD2 4.41Å; F231-L261 PolarHBondContact O-N 3.05Å; F231-L287 HydrophobicContact CB-CD1 4.04Å; F231-L287 HydrophobicContact CD1-CD1 4.39Å; F231-T289 HydrophobicContact CD1-CG2 4.31Å; F231-T289 HydrophobicContact CE1-CG2 4.41Å; F231-P294 WeakPolarHBondContact CZ-O 3.44Å; F231-F295 HydrophobicContact CE1-CB 3.95Å; F231-F295 HydrophobicContact CZ-CB 4.25Å
232I90.8Very high90.5Very high7 Ų747.3 Ų47.34%0.03622%0.224CC..BIsolated β-bridgetrans-67.5140.7178.9-166.2166.3000110.8N230 F234 C258 L287 Y299 L388N230-I232 PolarHBondContact O-N 3.01Å; I232-F234 HydrophobicContact CD1-CZ 4.35Å; I232-F234 HydrophobicContact CG1-CZ 4.31Å; I232-F234 HydrophobicContact CG2-CE2 4.25Å; I232-F234 HydrophobicContact CG2-CZ 4.22Å; I232-C258 HydrophobicContact CD1-CB 3.53Å; I232-C258 HydrophobicContact CG1-CB 3.29Å; I232-L287 VanDerWaalsContact O-CB 3.23Å; I232-L287 WeakPolarHBondContact O-CB 3.32Å; I232-Y299 HydrophobicContact CG2-CD2 3.37Å; I232-Y299 HydrophobicContact CG2-CE2 3.95Å; I232-Y299 HydrophobicContact CG2-CG 4.18Å; I232-L388 VanDerWaalsContact CD1-C 3.49Å; I232-L388 HydrophobicContact CD1-CB 4.26Å; I232-L388 WeakPolarHBondContact CD1-O 3.38Å
233S91.2Very high89.9Confident3 Ų349.1 Ų49.12%0.02123%0.231CC..  trans-136.9144.7-177.864.60000111.6P259 V285 F286S233-P259 PolarHBondContact N-O 3.17Å; S233-P259 WeakPolarHBondContact O-CD 3.4Å; S233-P259 PolarHBondContact OG-O 3.26Å; S233-V285 WeakPolarHBondContact OG-CG2 3.48Å; S233-F286 CarbonylContact C-O 3.59Å; S233-F286 WeakPolarHBondContact CA-O 3.45Å
234F88.9Confident89.1Confident0 Ų050.6 Ų50.60%024%0.241CC..EExtended strand (participates in β ladder)trans-109.3127.2-168.9-61.5-79.7000110.8I232 C236 Y242 V285 F286 Y299 L348 L388I232-F234 HydrophobicContact CD1-CZ 4.35Å; I232-F234 HydrophobicContact CG1-CZ 4.31Å; I232-F234 HydrophobicContact CG2-CE2 4.25Å; I232-F234 HydrophobicContact CG2-CZ 4.22Å; F234-C236 PolarHBondContact O-N 3.33Å; F234-Y242 HydrophobicContact CB-CD2 4.33Å; F234-Y242 HydrophobicContact CB-CE2 4.46Å; F234-Y242 HydrophobicContact CD2-CD2 4.49Å; F234-Y242 AromaticContact CD2-CE2 3.83Å; F234-Y242 HydrophobicContact CD2-CE2 3.83Å; F234-Y242 HydrophobicContact CG-CE2 4.49Å; F234-V285 CarbonylContact O-C 3.53Å; F234-V285 VanDerWaalsContact O-CA 3.23Å; F234-V285 WeakPolarHBondContact O-CA 3.39Å; F234-F286 PolarHBondContact N-O 3.29Å; F234-F286 PolarHBondContact O-N 2.9Å; F234-Y299 AromaticContact CE2-CD1 3.77Å; F234-Y299 HydrophobicContact CE2-CD1 3.77Å; F234-Y299 HydrophobicContact CE2-CD2 4.08Å; F234-Y299 AromaticContact CE2-CE1 3.97Å; F234-Y299 HydrophobicContact CE2-CE1 3.97Å; F234-Y299 HydrophobicContact CE2-CE2 4.27Å; F234-Y299 AromaticContact CE2-CG 3.79Å; F234-Y299 HydrophobicContact CE2-CG 3.79Å; F234-Y299 HydrophobicContact CZ-CD1 4.22Å; F234-Y299 HydrophobicContact CZ-CD2 4.48Å; F234-Y299 AromaticContact CZ-CG 3.98Å; F234-Y299 HydrophobicContact CZ-CG 3.98Å; F234-L348 HydrophobicContact CD2-CD2 4.35Å; F234-L348 HydrophobicContact CE1-CD1 4.46Å; F234-L348 HydrophobicContact CE2-CD1 4.33Å; F234-L348 HydrophobicContact CE2-CD2 4.33Å; F234-L348 HydrophobicContact CZ-CD1 4.04Å; F234-L388 HydrophobicContact CE1-CB 4.41Å; F234-L388 HydrophobicContact CE1-CD1 3.73Å; F234-L388 HydrophobicContact CZ-CB 4.22Å; F234-L388 HydrophobicContact CZ-CD1 3.85Å
235P87.9Confident88.2Confident20 Ų2051 Ų5113%0.1324%0.244CC..EExtended strand (participates in β ladder)trans-65.2121.9177.130-35.6000109.7C247 F253 T284 V285P235-C247 WeakPolarHBondContact O-CB 3.49Å; P235-C247 PolarHBondContact O-SG 3.19Å; P235-F253 HydrophobicContact CB-CE2 3.83Å; P235-F253 HydrophobicContact CB-CZ 4.41Å; P235-F253 HydrophobicContact CG-CD2 4.25Å; P235-F253 HydrophobicContact CG-CE2 3.62Å; P235-T284 WeakPolarHBondContact CA-O 3.37Å; P235-V285 HydrophobicContact CB-CG1 4.39Å
236C86.8Confident87.6Confident13 Ų1353.4 Ų53.49%0.08826%0.256CS..  trans-148.2160179.7-147.80000111.7F234 D241 Y242 C247 T284 F286F234-C236 PolarHBondContact O-N 3.33Å; C236-D241 WeakPolarHBondContact SG-CB 3.37Å; C236-Y242 PolarHBondContact SG-N 3.04Å; C236-C247 WeakPolarHBondContact CA-SG 3.44Å; C236-C247 HydrophobicContact CB-CB 3.62Å; C236-C247 WeakPolarHBondContact CB-SG 3.44Å; C236-C247 WeakPolarHBondContact SG-CB 3.17Å; C236-C247 CovalentContact SG-SG 2.03Å; C236-C247 PolarHBondContact SG-SG 3.26Å; C236-T284 PolarHBondContact N-O 3.34Å; C236-T284 VanDerWaalsContact N-O 3.14Å; C236-F286 HydrophobicContact CB-CD2 3.57Å; C236-F286 HydrophobicContact CB-CE2 3.91Å; C236-F286 WeakPolarHBondContact O-CE2 3.25Å
237R85.3Confident87Confident236 Ų23649.8 Ų49.889%0.89124%0.242SC*.SBendtrans-76.5-34.2179.6-67.9-177.6-179.7-177.50112.3
238S88Confident86.3Confident39 Ų3949 Ų4927%0.27324%0.237SC..  trans-150.5159.4179.371.20000111.2K240 D241 Y242 F286S238-K240 PolarHBondContact O-N 3.33Å; S238-D241 PolarHBondContact O-N 2.82Å; S238-D241 WeakPolarHBondContact OG-CB 3.49Å; S238-D241 PolarHBondContact OG-N 3.21Å; S238-D241 PolarHBondContact OG-OD2 3.2Å; S238-Y242 PolarHBondContact O-N 3.34Å; S238-Y242 VanDerWaalsContact O-N 3.09Å; S238-F286 VanDerWaalsContact C-CE2 3.49Å; S238-F286 VanDerWaalsContact C-CZ 3.45Å
239Y88.4Confident85.5Confident111 Ų11144.2 Ų44.244%0.43521%0.211SC..Hα-helixtrans-62.2-33.9173.6-175.8-114.3000111.4Y242 K243 F286 D288Y239-Y242 AromaticContact CD2-CD1 3.65Å; Y239-Y242 HydrophobicContact CD2-CD1 3.65Å; Y239-Y242 HydrophobicContact CD2-CE1 4.19Å; Y239-Y242 AromaticContact CE2-CD1 3.67Å; Y239-Y242 HydrophobicContact CE2-CD1 3.67Å; Y239-Y242 AromaticContact CE2-CE1 3.76Å; Y239-Y242 HydrophobicContact CE2-CE1 3.76Å; Y239-Y242 WeakPolarHBondContact O-CB 3.49Å; Y239-Y242 PolarHBondContact O-N 3.09Å; Y239-K243 HydrophobicContact CD1-CG 4.1Å; Y239-K243 HydrophobicContact CE1-CD 4.11Å; Y239-K243 HydrophobicContact CE1-CG 3.77Å; Y239-K243 HydrophobicContact CE2-CD 4.13Å; Y239-K243 HydrophobicContact CE2-CG 4.29Å; Y239-K243 WeakPolarHBondContact O-CG 3.3Å; Y239-K243 PolarHBondContact O-N 2.89Å; Y239-F286 HydrophobicContact CD2-CB 4.45Å; Y239-F286 AromaticContact CD2-CD1 3.74Å; Y239-F286 HydrophobicContact CD2-CD1 3.74Å; Y239-F286 HydrophobicContact CD2-CE1 4.41Å; Y239-F286 HydrophobicContact CD2-CG 4.36Å; Y239-F286 HydrophobicContact CG-CD1 4.28Å; Y239-F286 VanDerWaalsContact N-CZ 3.3Å; Y239-D288 WeakPolarHBondContact CE2-OD1 3.35Å; Y239-D288 PolarHBondContact OH-OD1 3.13Å; Y239-D288 VanDerWaalsContact OH-OD1 3.07Å
240K87.6Confident84.8Confident160 Ų16044.4 Ų44.470%0.69621%0.212SC*.Hα-helixtrans-60.1-48.5173.6-177.5177.3179.4177.50111.1S238 Y242 K243 T244S238-K240 PolarHBondContact O-N 3.33Å; K240-Y242 VanDerWaalsContact C-N 3.28Å; K240-Y242 PolarHBondContact O-N 3.04Å; K240-K243 PolarHBondContact O-N 3.48Å; K240-T244 WeakPolarHBondContact O-CG2 3.34Å; K240-T244 PolarHBondContact O-N 3.31Å; K240-T244 PolarHBondContact O-OG1 3.37Å
241D86.3Confident83.6Confident45 Ų4548.3 Ų48.324%0.24123%0.233CC..Hα-helixtrans-61.1-40.3179.1-64.7-35.7000111.5C236 S238 T244 S245 L246C236-D241 WeakPolarHBondContact SG-CB 3.37Å; S238-D241 PolarHBondContact O-N 2.82Å; S238-D241 WeakPolarHBondContact OG-CB 3.49Å; S238-D241 PolarHBondContact OG-N 3.21Å; S238-D241 PolarHBondContact OG-OD2 3.2Å; D241-T244 WeakPolarHBondContact CA-OG1 3.49Å; D241-T244 CarbonylContact O-C 3.51Å; D241-T244 PolarHBondContact O-N 3.16Å; D241-T244 VanDerWaalsContact O-N 3.14Å; D241-T244 PolarHBondContact O-OG1 3.31Å; D241-S245 PolarHBondContact O-N 3.13Å; D241-L246 HydrophobicContact CB-CB 4.19Å; D241-L246 HydrophobicContact CB-CD1 4.01Å; D241-L246 PolarHBondContact O-N 3.19Å; D241-L246 VanDerWaalsContact O-N 3.1Å; D241-L246 WeakPolarHBondContact OD1-CD1 3.09Å
242Y87.5Confident82.1Confident0 Ų051.4 Ų51.40%026%0.255CS..Hα-helixtrans-61.6-47.1173.4163.1-107.3000112.1F234 C236 S238 Y239 K240 T244 S245 F286 D288 Y299 Y333 L348F234-Y242 HydrophobicContact CB-CD2 4.33Å; F234-Y242 HydrophobicContact CB-CE2 4.46Å; F234-Y242 HydrophobicContact CD2-CD2 4.49Å; F234-Y242 AromaticContact CD2-CE2 3.83Å; F234-Y242 HydrophobicContact CD2-CE2 3.83Å; F234-Y242 HydrophobicContact CG-CE2 4.49Å; C236-Y242 PolarHBondContact SG-N 3.04Å; S238-Y242 PolarHBondContact O-N 3.34Å; S238-Y242 VanDerWaalsContact O-N 3.09Å; Y239-Y242 AromaticContact CD2-CD1 3.65Å; Y239-Y242 HydrophobicContact CD2-CD1 3.65Å; Y239-Y242 HydrophobicContact CD2-CE1 4.19Å; Y239-Y242 AromaticContact CE2-CD1 3.67Å; Y239-Y242 HydrophobicContact CE2-CD1 3.67Å; Y239-Y242 AromaticContact CE2-CE1 3.76Å; Y239-Y242 HydrophobicContact CE2-CE1 3.76Å; Y239-Y242 WeakPolarHBondContact O-CB 3.49Å; Y239-Y242 PolarHBondContact O-N 3.09Å; K240-Y242 VanDerWaalsContact C-N 3.28Å; K240-Y242 PolarHBondContact O-N 3.04Å; Y242-T244 PolarHBondContact O-N 3.34Å; Y242-T244 VanDerWaalsContact O-N 3.12Å; Y242-S245 PolarHBondContact O-N 3.5Å; Y242-F286 HydrophobicContact CD1-CB 3.75Å; Y242-F286 HydrophobicContact CD2-CB 4.06Å; Y242-F286 HydrophobicContact CE1-CB 4.2Å; Y242-F286 HydrophobicContact CG-CB 3.64Å; Y242-F286 HydrophobicContact CG-CG 4.4Å; Y242-D288 PolarHBondContact OH-N 3.5Å; Y242-D288 VanDerWaalsContact OH-N 3.16Å; Y242-Y299 PolarHBondContact OH-OH 3.4Å; Y242-Y333 HydrophobicContact CD1-CE1 4.32Å; Y242-Y333 HydrophobicContact CE1-CD1 4.2Å; Y242-Y333 AromaticContact CE1-CE1 3.56Å; Y242-Y333 HydrophobicContact CE1-CE1 3.56Å; Y242-Y333 HydrophobicContact CE2-CD1 4.4Å; Y242-Y333 HydrophobicContact CE2-CE1 4.15Å; Y242-Y333 AromaticContact CZ-CE1 3.45Å; Y242-Y333 VanDerWaalsContact CZ-CE1 3.45Å; Y242-Y333 WeakPolarHBondContact OH-CE1 3.38Å; Y242-Y333 PolarHBondContact OH-OH 2.93Å; Y242-L348 HydrophobicContact CD2-CD2 4.39Å; Y242-L348 HydrophobicContact CE2-CD2 3.87Å
243K84.9Confident80.7Confident46 Ų4651.2 Ų51.220%0.225%0.253CS..Hα-helixtrans-60-20.8173.8-69.5-52.9-60.6169.30113.7Y239 K240 D288 Y333Y239-K243 HydrophobicContact CD1-CG 4.1Å; Y239-K243 HydrophobicContact CE1-CD 4.11Å; Y239-K243 HydrophobicContact CE1-CG 3.77Å; Y239-K243 HydrophobicContact CE2-CD 4.13Å; Y239-K243 HydrophobicContact CE2-CG 4.29Å; Y239-K243 WeakPolarHBondContact O-CG 3.3Å; Y239-K243 PolarHBondContact O-N 2.89Å; K240-K243 PolarHBondContact O-N 3.48Å; K243-D288 IonicContact NZ-OD2 3.21Å; K243-D288 PolarHBondContact NZ-OD2 3.37Å; K243-Y333 HydrophobicContact CD-CD1 3.91Å; K243-Y333 HydrophobicContact CD-CE1 3.73Å; K243-Y333 CarbonylContact O-C 3.6Å; K243-Y333 WeakPolarHBondContact O-CA 3.49Å
244T79.8Confident79.3Confident31 Ų3159 Ų5919%0.1929%0.287CS..THydrogen-bonded Turntrans-104.221.3-179.263.60000114.4K240 D241 Y242 L246 E334 K335K240-T244 WeakPolarHBondContact O-CG2 3.34Å; K240-T244 PolarHBondContact O-N 3.31Å; K240-T244 PolarHBondContact O-OG1 3.37Å; D241-T244 WeakPolarHBondContact CA-OG1 3.49Å; D241-T244 CarbonylContact O-C 3.51Å; D241-T244 PolarHBondContact O-N 3.16Å; D241-T244 VanDerWaalsContact O-N 3.14Å; D241-T244 PolarHBondContact O-OG1 3.31Å; Y242-T244 PolarHBondContact O-N 3.34Å; Y242-T244 VanDerWaalsContact O-N 3.12Å; T244-L246 PolarHBondContact O-N 3.12Å; T244-L246 VanDerWaalsContact O-N 3.09Å; T244-E334 WeakPolarHBondContact CA-O 3.42Å; T244-K335 VanDerWaalsContact O-CB 3.29Å; T244-K335 WeakPolarHBondContact O-CB 3.39Å
245S76.9Confident77.6Confident19 Ų1968.6 Ų68.613%0.13333%0.332CS..THydrogen-bonded Turntrans51.134.6-179.6-93.20000114.8D241 Y242 C247 V248 Y333 L348D241-S245 PolarHBondContact O-N 3.13Å; Y242-S245 PolarHBondContact O-N 3.5Å; S245-C247 VanDerWaalsContact C-N 3.25Å; S245-V248 VanDerWaalsContact O-CG1 3.28Å; S245-V248 WeakPolarHBondContact O-CG1 3.31Å; S245-Y333 WeakPolarHBondContact CB-O 3.36Å; S245-Y333 PolarHBondContact OG-O 2.84Å; S245-L348 WeakPolarHBondContact OG-CB 3.41Å; S245-L348 PolarHBondContact OG-N 2.93Å
246L80.3Confident76Confident72 Ų7272.8 Ų72.838%0.37735%0.348SS..SBendtrans-83.6-7.3171.5-67.3177.4000112.7D241 T244 K335D241-L246 HydrophobicContact CB-CB 4.19Å; D241-L246 HydrophobicContact CB-CD1 4.01Å; D241-L246 PolarHBondContact O-N 3.19Å; D241-L246 VanDerWaalsContact O-N 3.1Å; D241-L246 WeakPolarHBondContact OD1-CD1 3.09Å; T244-L246 PolarHBondContact O-N 3.12Å; T244-L246 VanDerWaalsContact O-N 3.09Å; L246-K335 HydrophobicContact CD1-CD 4.46Å; L246-K335 HydrophobicContact CD2-CD 4.02Å; L246-K335 HydrophobicContact CG-CD 4.36Å
247C81.6Confident75.1Confident22 Ų2274.8 Ų74.815%0.14936%0.362CS..  trans-139.574.1-172.3-57.70000108.7P235 C236 S245P235-C247 WeakPolarHBondContact O-CB 3.49Å; P235-C247 PolarHBondContact O-SG 3.19Å; C236-C247 WeakPolarHBondContact CA-SG 3.44Å; C236-C247 HydrophobicContact CB-CB 3.62Å; C236-C247 WeakPolarHBondContact CB-SG 3.44Å; C236-C247 WeakPolarHBondContact SG-CB 3.17Å; C236-C247 CovalentContact SG-SG 2.03Å; C236-C247 PolarHBondContact SG-SG 3.26Å; S245-C247 VanDerWaalsContact C-N 3.25Å
248V77.9Confident75Confident11 Ų1164 Ų647%0.06732%0.323CS..  trans-105.6-5.7-170.4-600000113.4S245 V301 K346 L348S245-V248 VanDerWaalsContact O-CG1 3.28Å; S245-V248 WeakPolarHBondContact O-CG1 3.31Å; V248-V301 HydrophobicContact CB-CG2 4.41Å; V248-K346 HydrophobicContact CB-CB 4.36Å; V248-K346 HydrophobicContact CG2-CB 3.68Å; V248-K346 HydrophobicContact CG2-CD 3.63Å; V248-K346 HydrophobicContact CG2-CG 4.31Å; V248-L348 HydrophobicContact CG1-CB 4.05Å
249D73.3Confident75Confident53 Ų5362.8 Ų62.828%0.28331%0.314SS..  trans-130.7169.3177.662.460000110.3D251D249-D251 PolarHBondContact OD1-N 3.19Å
250C74.6Confident75.1Confident11 Ų1160.2 Ų60.27%0.07430%0.304CS..  trans-120.626.9174.9-66.40000110.4C252 F253 C258C250-C252 PolarHBondContact O-N 3.49Å; C250-F253 HydrophobicContact CB-CD2 4.14Å; C250-F253 WeakPolarHBondContact O-CB 3.28Å; C250-F253 PolarHBondContact O-N 2.81Å; C250-C258 HydrophobicContact CB-CB 3.82Å; C250-C258 WeakPolarHBondContact CB-SG 3.44Å; C250-C258 WeakPolarHBondContact SG-CA 3.01Å; C250-C258 WeakPolarHBondContact SG-CB 3.26Å; C250-C258 CovalentContact SG-SG 2Å; C250-C258 PolarHBondContact SG-SG 3.23Å
251D65.9Low75.4Confident110 Ų11053.7 Ų53.759%0.58828%0.276SS*.G310 helixtrans-61.1-23.9-174.7-64.1-10.3000111D249 F253 K254D249-D251 PolarHBondContact OD1-N 3.19Å; D251-F253 PolarHBondContact O-N 3.11Å; D251-K254 PolarHBondContact O-N 2.97Å
252C61.1Low75.8Confident71 Ų7151.6 Ų51.648%0.4827%0.265SS..G310 helixtrans-56.4-12.7167.9-70.10000115C250C250-C252 PolarHBondContact O-N 3.49Å
253F60.8Low76Confident2 Ų251.7 Ų51.71%0.00927%0.266CS..G310 helixtrans-108.813.6177.3-64.7-82.1000113.4P235 C250 D251 K256 P259 V271 L272 T283P235-F253 HydrophobicContact CB-CE2 3.83Å; P235-F253 HydrophobicContact CB-CZ 4.41Å; P235-F253 HydrophobicContact CG-CD2 4.25Å; P235-F253 HydrophobicContact CG-CE2 3.62Å; C250-F253 HydrophobicContact CB-CD2 4.14Å; C250-F253 WeakPolarHBondContact O-CB 3.28Å; C250-F253 PolarHBondContact O-N 2.81Å; D251-F253 PolarHBondContact O-N 3.11Å; F253-K256 PolarHBondContact O-N 3.3Å; F253-P259 HydrophobicContact CD1-CG 4.42Å; F253-P259 HydrophobicContact CD2-CG 4.1Å; F253-P259 HydrophobicContact CE1-CG 3.83Å; F253-P259 VanDerWaalsContact CE2-CD 3.47Å; F253-P259 HydrophobicContact CE2-CG 3.42Å; F253-P259 VanDerWaalsContact CE2-CG 3.42Å; F253-P259 HydrophobicContact CZ-CG 3.26Å; F253-V271 HydrophobicContact CB-CG1 4.46Å; F253-V271 HydrophobicContact CD1-CG1 3.87Å; F253-L272 HydrophobicContact CE1-CD2 3.92Å; F253-T283 HydrophobicContact CZ-CG2 3.9Å
254K61.7Low76.2Confident166 Ų16652.6 Ų52.672%0.72227%0.271SS*.THydrogen-bonded Turntrans56-138.2178-56.8177.8-179.91730111.7D251 K256D251-K254 PolarHBondContact O-N 2.97Å; K254-K256 PolarHBondContact O-N 3.45Å
255E52.5Low76.7Confident202 Ų20251.7 Ų51.794%0.94427%0.266SS*.THydrogen-bonded Turntrans-62-6.6-179.5-65.1-178.9169.300114.8
256K54.1Low77.2Confident109 Ų10954.9 Ų54.947%0.47428%0.278SS..SBendtrans-91.5138.5178-59.9-137.6-169.6-178.40111.4F253 K254 V271F253-K256 PolarHBondContact O-N 3.3Å; K254-K256 PolarHBondContact O-N 3.45Å; K256-V271 HydrophobicContact CB-CG2 4.44Å; K256-V271 HydrophobicContact CD-CG2 3.46Å; K256-V271 VanDerWaalsContact CD-CG2 3.46Å; K256-V271 VanDerWaalsContact CE-CG2 3.45Å; K256-V271 HydrophobicContact CG-CG2 3.86Å
257S69.2Low77.4Confident55 Ų5556.1 Ų56.139%0.38528%0.284SS..PPolyproline II helixtrans-56.1163.2169.553.30000111.9F268S257-F268 WeakPolarHBondContact O-CE1 3.5Å
258C83.2Confident77.5Confident9 Ų955.6 Ų55.66%0.06128%0.28CS..PPolyproline II helixtrans-55.2149.5-179.4-64.90000114I232 C250 F268I232-C258 HydrophobicContact CD1-CB 3.53Å; I232-C258 HydrophobicContact CG1-CB 3.29Å; C250-C258 HydrophobicContact CB-CB 3.82Å; C250-C258 WeakPolarHBondContact CB-SG 3.44Å; C250-C258 WeakPolarHBondContact SG-CA 3.01Å; C250-C258 WeakPolarHBondContact SG-CB 3.26Å; C250-C258 CovalentContact SG-SG 2Å; C250-C258 PolarHBondContact SG-SG 3.23Å; C258-F268 WeakPolarHBondContact O-CZ 3.27Å
259P87.6Confident77.7Confident13 Ų1359.1 Ų59.18%0.08429%0.294CS..PPolyproline II helixtrans-51.8142.1173.8-26.834.9000113.3S233 F253 F268 V285S233-P259 PolarHBondContact N-O 3.17Å; S233-P259 WeakPolarHBondContact O-CD 3.4Å; S233-P259 PolarHBondContact OG-O 3.26Å; F253-P259 HydrophobicContact CD1-CG 4.42Å; F253-P259 HydrophobicContact CD2-CG 4.1Å; F253-P259 HydrophobicContact CE1-CG 3.83Å; F253-P259 VanDerWaalsContact CE2-CD 3.47Å; F253-P259 HydrophobicContact CE2-CG 3.42Å; F253-P259 VanDerWaalsContact CE2-CG 3.42Å; F253-P259 HydrophobicContact CZ-CG 3.26Å; P259-F268 VanDerWaalsContact CA-CZ 3.42Å; P259-F268 HydrophobicContact CB-CD1 4.44Å; P259-F268 HydrophobicContact CB-CD2 4.46Å; P259-F268 HydrophobicContact CB-CG 4.42Å; P259-F268 HydrophobicContact CG-CD1 4.34Å; P259-F268 HydrophobicContact CG-CE1 4.48Å; P259-V285 HydrophobicContact CB-CG1 4.26Å; P259-V285 HydrophobicContact CG-CG1 4.1Å
260R90.8Very high78Confident58 Ų5858.6 Ų58.622%0.21930%0.301CS..BIsolated β-bridgetrans-110136.5177.3-63.2-176.3-179.3-175.9-4.8111.2N230 F231 Q264 F268N230-R260 VanDerWaalsContact OD1-CZ 3.3Å; N230-R260 PolarHBondContact OD1-NH1 3.07Å; N230-R260 VanDerWaalsContact OD1-NH1 3.13Å; F231-R260 WeakPolarHBondContact O-CA 3.44Å; R260-Q264 HydrophobicContact CB-CB 4.28Å; R260-F268 HydrophobicContact CB-CE2 4.19Å; R260-F268 HydrophobicContact CG-CE2 4.26Å; R260-F268 VanDerWaalsContact N-CE2 3.3Å
261L93.4Very high78.1Confident22 Ų2258.9 Ų58.912%0.11530%0.302CS..SBendtrans-69.2145.9174.4174.6149.6000111I200 L220 F231 L287I200-L261 HydrophobicContact CD1-CD1 4.23Å; I200-L261 HydrophobicContact CD1-CD2 3.88Å; I200-L261 HydrophobicContact CD1-CG 3.83Å; I200-L261 HydrophobicContact CG1-CD1 4.23Å; I200-L261 HydrophobicContact CG1-CG 4.14Å; I200-L261 HydrophobicContact CG2-CD1 4Å; L220-L261 HydrophobicContact CB-CD2 3.9Å; L220-L261 HydrophobicContact CD1-CD1 4.47Å; F231-L261 HydrophobicContact CB-CB 3.86Å; F231-L261 HydrophobicContact CB-CD2 4.4Å; F231-L261 HydrophobicContact CG-CD2 4.41Å; F231-L261 PolarHBondContact O-N 3.05Å; L261-L287 HydrophobicContact CB-CD1 4.29Å; L261-L287 HydrophobicContact CB-CD2 4.45Å; L261-L287 HydrophobicContact CD1-CD1 4.26Å; L261-L287 HydrophobicContact CD1-CD2 3.81Å
262G93.9Very high78.7Confident2 Ų255.2 Ų55.22%0.02128%0.283CS..SBendtrans92.9-143.2167.700000114.7R169 S224 Q264 A265R169-G262 PolarHBondContact NH2-O 3.44Å; S224-G262 WeakPolarHBondContact OG-CA 3.36Å; G262-Q264 VanDerWaalsContact C-N 3.25Å; G262-Q264 PolarHBondContact O-N 3.18Å; G262-A265 VanDerWaalsContact O-CB 3.3Å; G262-A265 WeakPolarHBondContact O-CB 3.16Å; G262-A265 PolarHBondContact O-N 2.94Å; G262-A265 VanDerWaalsContact O-N 3.13Å
263Y91.8Very high79.4Confident2 Ų258.9 Ų58.91%0.00829%0.29CS..G310 helixtrans-62.1-35.6-171.7-168.3-109.4000112.5K66 E94 E95 R169 F221 S224 L225 A265K66-Y263 VanDerWaalsContact NZ-CE2 3.32Å; K66-Y263 PolarHBondContact NZ-OH 2.82Å; E94-Y263 HydrophobicContact CG-CD1 4.21Å; E94-Y263 HydrophobicContact CG-CE1 3.63Å; E94-Y263 WeakPolarHBondContact OE1-CE1 3.3Å; E95-Y263 PolarHBondContact OE2-OH 3.45Å; R169-Y263 PolarHBondContact NH1-O 3.27Å; F221-Y263 HydrophobicContact CE1-CD2 4.23Å; F221-Y263 AromaticContact CZ-CD2 3.84Å; F221-Y263 HydrophobicContact CZ-CD2 3.84Å; S224-Y263 PolarHBondContact OG-N 2.91Å; L225-Y263 HydrophobicContact CD1-CD2 4.27Å; L225-Y263 HydrophobicContact CD1-CG 4.31Å; L225-Y263 VanDerWaalsContact CD2-CB 3.41Å; L225-Y263 HydrophobicContact CD2-CD1 3.34Å; L225-Y263 HydrophobicContact CD2-CD2 3.94Å; L225-Y263 HydrophobicContact CD2-CE1 3.97Å; L225-Y263 HydrophobicContact CD2-CG 3.32Å; L225-Y263 HydrophobicContact CG-CD1 4.46Å; L225-Y263 HydrophobicContact CG-CD2 4.46Å; L225-Y263 HydrophobicContact CG-CG 4Å; Y263-A265 PolarHBondContact O-N 3.42Å
264Q89.1Confident79.9Confident64 Ų6464.5 Ų64.530%0.29932%0.317SS..G310 helixtrans-70.9-7.9179.5-64.1-174.2-5.100114.4R260 G262 K266 L267R260-Q264 HydrophobicContact CB-CB 4.28Å; G262-Q264 VanDerWaalsContact C-N 3.25Å; G262-Q264 PolarHBondContact O-N 3.18Å; Q264-K266 PolarHBondContact O-N 3.01Å; Q264-L267 HydrophobicContact CB-CD1 4.22Å; Q264-L267 WeakPolarHBondContact O-CB 3.44Å; Q264-L267 WeakPolarHBondContact O-CG 3.47Å; Q264-L267 PolarHBondContact O-N 2.96Å
265A90.6Very high80.2Confident12 Ų1259.8 Ų59.810%0.09929%0.294CS..G310 helixtrans-56.1-23.617600000113F196 D198 G262 Y263 L267 F268F196-A265 HydrophobicContact CE1-CB 4.33Å; F196-A265 HydrophobicContact CZ-CB 4.29Å; F196-A265 WeakPolarHBondContact CZ-O 3.27Å; D198-A265 HydrophobicContact CB-CB 4.29Å; G262-A265 VanDerWaalsContact O-CB 3.3Å; G262-A265 WeakPolarHBondContact O-CB 3.16Å; G262-A265 PolarHBondContact O-N 2.94Å; G262-A265 VanDerWaalsContact O-N 3.13Å; Y263-A265 PolarHBondContact O-N 3.42Å; A265-L267 PolarHBondContact O-N 3.22Å; A265-L267 VanDerWaalsContact O-N 3.17Å; A265-F268 PolarHBondContact O-N 3.11Å; A265-F268 VanDerWaalsContact O-N 3.12Å
266K87.2Confident80.8Confident87 Ų8753.4 Ų53.438%0.37827%0.265SS..G310 helixtrans-55.9-28.8174.567179.9-179-179.60113.9Q264 F268 K269Q264-K266 PolarHBondContact O-N 3.01Å; K266-F268 PolarHBondContact O-N 3.09Å; K266-F268 VanDerWaalsContact O-N 3.14Å; K266-K269 WeakPolarHBondContact O-CB 3.21Å; K266-K269 PolarHBondContact O-N 2.96Å; K266-K269 VanDerWaalsContact O-N 3.16Å
267L86.2Confident81Confident97 Ų9755.9 Ų55.951%0.50828%0.278SS..G310 helixtrans-62.8-21-179.6-61.7175.1000112.6Q264 A265Q264-L267 HydrophobicContact CB-CD1 4.22Å; Q264-L267 WeakPolarHBondContact O-CB 3.44Å; Q264-L267 WeakPolarHBondContact O-CG 3.47Å; Q264-L267 PolarHBondContact O-N 2.96Å; A265-L267 PolarHBondContact O-N 3.22Å; A265-L267 VanDerWaalsContact O-N 3.17Å
268F82.4Confident80.3Confident12 Ų1256.8 Ų56.85%0.05330%0.297CS..G310 helixtrans-95.1-4.2-177.7-62.4-81000113.7S257 C258 P259 R260 A265 K266 G270 V271 L272S257-F268 WeakPolarHBondContact O-CE1 3.5Å; C258-F268 WeakPolarHBondContact O-CZ 3.27Å; P259-F268 VanDerWaalsContact CA-CZ 3.42Å; P259-F268 HydrophobicContact CB-CD1 4.44Å; P259-F268 HydrophobicContact CB-CD2 4.46Å; P259-F268 HydrophobicContact CB-CG 4.42Å; P259-F268 HydrophobicContact CG-CD1 4.34Å; P259-F268 HydrophobicContact CG-CE1 4.48Å; R260-F268 HydrophobicContact CB-CE2 4.19Å; R260-F268 HydrophobicContact CG-CE2 4.26Å; R260-F268 VanDerWaalsContact N-CE2 3.3Å; A265-F268 PolarHBondContact O-N 3.11Å; A265-F268 VanDerWaalsContact O-N 3.12Å; K266-F268 PolarHBondContact O-N 3.09Å; K266-F268 VanDerWaalsContact O-N 3.14Å; F268-G270 VanDerWaalsContact C-N 3.33Å; F268-G270 PolarHBondContact O-N 3.37Å; F268-V271 PolarHBondContact O-N 2.87Å; F268-L272 HydrophobicContact CB-CD1 4.21Å; F268-L272 HydrophobicContact CB-CG 4.48Å; F268-L272 WeakPolarHBondContact O-CB 2.99Å; F268-L272 VanDerWaalsContact O-CG 3.32Å; F268-L272 WeakPolarHBondContact O-CG 3.42Å; F268-L272 PolarHBondContact O-N 3.07Å
269K82.6Confident79.1Confident84 Ų8464.2 Ų64.237%0.36532%0.324SS..Hα-helixtrans-54.2-45.7-178.4-177.2178.31801740112.6K195 F196 K266 K273K195-K269 WeakPolarHBondContact O-CE 2.89Å; F196-K269 HydrophobicContact CB-CD 3.87Å; F196-K269 HydrophobicContact CB-CG 4.14Å; F196-K269 HydrophobicContact CD2-CB 4.11Å; F196-K269 HydrophobicContact CD2-CG 4.06Å; F196-K269 HydrophobicContact CE2-CB 4.41Å; F196-K269 HydrophobicContact CG-CB 4.33Å; F196-K269 HydrophobicContact CG-CD 4.27Å; F196-K269 HydrophobicContact CG-CG 4.16Å; K266-K269 WeakPolarHBondContact O-CB 3.21Å; K266-K269 PolarHBondContact O-N 2.96Å; K266-K269 VanDerWaalsContact O-N 3.16Å; K269-K273 PolarHBondContact O-N 3.12Å; K269-K273 VanDerWaalsContact O-N 3.14Å
270G79.9Confident77.6Confident42 Ų4268.7 Ų68.743%0.43335%0.353SS..Hα-helixtrans-64.9-48.9179.700000113F268 L272 K273 E274F268-G270 VanDerWaalsContact C-N 3.33Å; F268-G270 PolarHBondContact O-N 3.37Å; G270-L272 VanDerWaalsContact C-N 3.32Å; G270-L272 PolarHBondContact O-N 3Å; G270-K273 WeakPolarHBondContact O-CB 3.42Å; G270-K273 PolarHBondContact O-N 2.81Å; G270-K273 VanDerWaalsContact O-N 3.15Å; G270-E274 PolarHBondContact O-N 3.3Å
271V77.2Confident76.4Confident17 Ų1770 Ų7010%0.10336%0.364CS..Hα-helixtrans-63-39.9-179.3-176.70000111.6F253 K256 F268 K273 R275F253-V271 HydrophobicContact CB-CG1 4.46Å; F253-V271 HydrophobicContact CD1-CG1 3.87Å; K256-V271 HydrophobicContact CB-CG2 4.44Å; K256-V271 HydrophobicContact CD-CG2 3.46Å; K256-V271 VanDerWaalsContact CD-CG2 3.46Å; K256-V271 VanDerWaalsContact CE-CG2 3.45Å; K256-V271 HydrophobicContact CG-CG2 3.86Å; F268-V271 PolarHBondContact O-N 2.87Å; V271-K273 VanDerWaalsContact C-N 3.34Å; V271-R275 WeakPolarHBondContact O-CB 3.4Å; V271-R275 PolarHBondContact O-N 3.36Å; V271-R275 VanDerWaalsContact O-N 3.12Å
272L76.5Confident75.8Confident34 Ų3475.7 Ų75.718%0.17838%0.384CS..Hα-helixtrans-66.8-36.8177.5-70.9171.6000111.7F196 F253 F268 G270 R275 M276 T283F196-L272 HydrophobicContact CE2-CD1 3.98Å; F253-L272 HydrophobicContact CE1-CD2 3.92Å; F268-L272 HydrophobicContact CB-CD1 4.21Å; F268-L272 HydrophobicContact CB-CG 4.48Å; F268-L272 WeakPolarHBondContact O-CB 2.99Å; F268-L272 VanDerWaalsContact O-CG 3.32Å; F268-L272 WeakPolarHBondContact O-CG 3.42Å; F268-L272 PolarHBondContact O-N 3.07Å; G270-L272 VanDerWaalsContact C-N 3.32Å; G270-L272 PolarHBondContact O-N 3Å; L272-R275 PolarHBondContact O-N 3.17Å; L272-M276 WeakPolarHBondContact O-CB 3.27Å; L272-M276 WeakPolarHBondContact O-CG 3.42Å; L272-M276 PolarHBondContact O-N 2.91Å; L272-T283 HydrophobicContact CD2-CG2 4.46Å
273K75.9Confident75.4Confident148 Ų14878.1 Ų78.164%0.64340%0.398SS*.Hα-helixtrans-62.1-49.3177.1-169.1-176.8176.5-168.40111.6K269 G270 V271 R275 M276K269-K273 PolarHBondContact O-N 3.12Å; K269-K273 VanDerWaalsContact O-N 3.14Å; G270-K273 WeakPolarHBondContact O-CB 3.42Å; G270-K273 PolarHBondContact O-N 2.81Å; G270-K273 VanDerWaalsContact O-N 3.15Å; V271-K273 VanDerWaalsContact C-N 3.34Å; K273-R275 VanDerWaalsContact C-N 3.28Å; K273-R275 PolarHBondContact O-N 3.28Å; K273-M276 PolarHBondContact O-N 3.19Å
274E72.8Confident75.2Confident119 Ų11981.8 Ų81.856%0.55642%0.421SS*.Hα-helixtrans-58.1-40.2175.2-69.7173.4-15600112G270 M276 E277G270-E274 PolarHBondContact O-N 3.3Å; E274-M276 VanDerWaalsContact C-N 3.35Å; E274-M276 PolarHBondContact O-N 3.43Å; E274-E277 PolarHBondContact O-N 2.79Å
275R67.9Low75.3Confident68 Ų6881 Ų8126%0.25742%0.42SS..Hα-helixtrans-70.6-29.8-179.8-174177.3177.81712.8113.2V271 L272 K273 E277V271-R275 WeakPolarHBondContact O-CB 3.4Å; V271-R275 PolarHBondContact O-N 3.36Å; V271-R275 VanDerWaalsContact O-N 3.12Å; L272-R275 PolarHBondContact O-N 3.17Å; K273-R275 VanDerWaalsContact C-N 3.28Å; K273-R275 PolarHBondContact O-N 3.28Å; R275-E277 PolarHBondContact O-N 3.45Å
276M63.9Low75.4Confident67 Ų6782.4 Ų82.433%0.3342%0.424SS..Hα-helixtrans-73-15.1-178.8-74.9171.473.900112.6Y191 L272 K273 E274 G278 L281Y191-M276 HydrophobicContact CD2-CE 4.21Å; Y191-M276 HydrophobicContact CE2-CE 4.35Å; L272-M276 WeakPolarHBondContact O-CB 3.27Å; L272-M276 WeakPolarHBondContact O-CG 3.42Å; L272-M276 PolarHBondContact O-N 2.91Å; K273-M276 PolarHBondContact O-N 3.19Å; E274-M276 VanDerWaalsContact C-N 3.35Å; E274-M276 PolarHBondContact O-N 3.43Å; M276-G278 PolarHBondContact O-N 3.33Å; M276-L281 HydrophobicContact CE-CB 4.13Å; M276-L281 HydrophobicContact CE-CD2 3.57Å; M276-L281 HydrophobicContact CE-CG 4.46Å
277E59.3Low75.7Confident161 Ų16179.9 Ų79.975%0.75242%0.415SS*.THydrogen-bonded Turntrans-72.276.1168.6-64.8175.2-176.100109.8E274 R275E274-E277 PolarHBondContact O-N 2.79Å; R275-E277 PolarHBondContact O-N 3.45Å
278G53.4Low75.9Confident75 Ų7575.9 Ų75.977%0.77339%0.394SS*.THydrogen-bonded Turntrans1178.9172.200000117.3M276M276-G278 PolarHBondContact O-N 3.33Å
279R58.1Low76.5Confident165 Ų16577.2 Ų77.262%0.62340%0.403SS*.SBendtrans-142.3168.8-178.2-83.5-173.4-174.1-175.61.2112.1L281R279-L281 PolarHBondContact O-N 3.02Å
280P56.6Low77Confident107 Ų10773.9 Ų73.970%0.69539%0.39SS*.  trans-51.9134.2-175.616.4-32000113R282P280-R282 PolarHBondContact O-N 3.43Å
281L66.6Low77.4Confident86 Ų8675 Ų7545%0.4540%0.402SS..SBendtrans-64.1-0.1-174.5-67.4153.6000114.8Y191 M276 R279Y191-L281 HydrophobicContact CE1-CB 4.35Å; Y191-L281 HydrophobicContact CE1-CD1 4.35Å; Y191-L281 HydrophobicContact CE2-CB 4.17Å; Y191-L281 HydrophobicContact CE2-CD1 4.4Å; Y191-L281 HydrophobicContact CE2-CD2 3.93Å; Y191-L281 HydrophobicContact CE2-CG 4.39Å; Y191-L281 WeakPolarHBondContact OH-CD1 3.09Å; M276-L281 HydrophobicContact CE-CB 4.13Å; M276-L281 HydrophobicContact CE-CD2 3.57Å; M276-L281 HydrophobicContact CE-CG 4.46Å; R279-L281 PolarHBondContact O-N 3.02Å
282R79.1Confident78Confident141 Ų14179.2 Ų79.253%0.53243%0.428SS..  trans-136.9132.2-174.7-62.3-177.4-178.3175.7-1.6109.8D190 P280D190-R282 IonicContact OD2-NH2 3.66Å; D190-R282 PolarHBondContact OD2-NH2 2.83Å; P280-R282 PolarHBondContact O-N 3.43Å
283T85.4Confident78.6Confident52 Ų5283.3 Ų83.332%0.31944%0.441SS..  trans-110.1119173.5-60.90000108.9F253 L272 V285F253-T283 HydrophobicContact CZ-CG2 3.9Å; L272-T283 HydrophobicContact CD2-CG2 4.46Å; T283-V285 HydrophobicContact CG2-CG1 4.08Å
284T88.9Confident79.5Confident79 Ų7978.7 Ų78.749%0.48543%0.427SS..  trans-96.3129.4174-52.20000108.8P235 C236 F286P235-T284 WeakPolarHBondContact CA-O 3.37Å; C236-T284 PolarHBondContact N-O 3.34Å; C236-T284 VanDerWaalsContact N-O 3.14Å; T284-F286 HydrophobicContact CG2-CD2 4.41Å; T284-F286 HydrophobicContact CG2-CE1 4.29Å; T284-F286 HydrophobicContact CG2-CE2 3.58Å; T284-F286 HydrophobicContact CG2-CZ 3.51Å
285V91.3Very high80.5Confident49 Ų4973.7 Ų73.730%0.29740%0.403SS..EExtended strand (participates in β ladder)trans-125.9152177.7-610000109.6S233 F234 P235 P259 T283S233-V285 WeakPolarHBondContact OG-CG2 3.48Å; F234-V285 CarbonylContact O-C 3.53Å; F234-V285 VanDerWaalsContact O-CA 3.23Å; F234-V285 WeakPolarHBondContact O-CA 3.39Å; P235-V285 HydrophobicContact CB-CG1 4.39Å; P259-V285 HydrophobicContact CB-CG1 4.26Å; P259-V285 HydrophobicContact CG-CG1 4.1Å; T283-V285 HydrophobicContact CG2-CG1 4.08Å
286F92.1Very high81.8Confident40 Ų4071.2 Ų71.218%0.17540%0.396CS..EExtended strand (participates in β ladder)trans-129.6147.6180-60.9-86.8000110.7S233 F234 C236 S238 Y239 Y242 T284S233-F286 CarbonylContact C-O 3.59Å; S233-F286 WeakPolarHBondContact CA-O 3.45Å; F234-F286 PolarHBondContact N-O 3.29Å; F234-F286 PolarHBondContact O-N 2.9Å; C236-F286 HydrophobicContact CB-CD2 3.57Å; C236-F286 HydrophobicContact CB-CE2 3.91Å; C236-F286 WeakPolarHBondContact O-CE2 3.25Å; S238-F286 VanDerWaalsContact C-CE2 3.49Å; S238-F286 VanDerWaalsContact C-CZ 3.45Å; Y239-F286 HydrophobicContact CD2-CB 4.45Å; Y239-F286 AromaticContact CD2-CD1 3.74Å; Y239-F286 HydrophobicContact CD2-CD1 3.74Å; Y239-F286 HydrophobicContact CD2-CE1 4.41Å; Y239-F286 HydrophobicContact CD2-CG 4.36Å; Y239-F286 HydrophobicContact CG-CD1 4.28Å; Y239-F286 VanDerWaalsContact N-CZ 3.3Å; Y242-F286 HydrophobicContact CD1-CB 3.75Å; Y242-F286 HydrophobicContact CD2-CB 4.06Å; Y242-F286 HydrophobicContact CE1-CB 4.2Å; Y242-F286 HydrophobicContact CG-CB 3.64Å; Y242-F286 HydrophobicContact CG-CG 4.4Å; T284-F286 HydrophobicContact CG2-CD2 4.41Å; T284-F286 HydrophobicContact CG2-CE1 4.29Å; T284-F286 HydrophobicContact CG2-CE2 3.58Å; T284-F286 HydrophobicContact CG2-CZ 3.51Å
287L92.8Very high83.2Confident34 Ų3468.3 Ų68.318%0.17838%0.382CS..  trans-152.2159.4171.972.2159.2000108.6F231 I232 L261 T289F231-L287 HydrophobicContact CB-CD1 4.04Å; F231-L287 HydrophobicContact CD1-CD1 4.39Å; I232-L287 VanDerWaalsContact O-CB 3.23Å; I232-L287 WeakPolarHBondContact O-CB 3.32Å; L261-L287 HydrophobicContact CB-CD1 4.29Å; L261-L287 HydrophobicContact CB-CD2 4.45Å; L261-L287 HydrophobicContact CD1-CD1 4.26Å; L261-L287 HydrophobicContact CD1-CD2 3.81Å; L287-T289 HydrophobicContact CD1-CG2 4.08Å
288D92.2Very high84.9Confident13 Ų1362.1 Ų62.17%0.0735%0.352CS..  trans-114.7145168.5-70.6-9.5000108.3Y239 Y242 K243 T297 Y299 R331 Y333 Q350Y239-D288 WeakPolarHBondContact CE2-OD1 3.35Å; Y239-D288 PolarHBondContact OH-OD1 3.13Å; Y239-D288 VanDerWaalsContact OH-OD1 3.07Å; Y242-D288 PolarHBondContact OH-N 3.5Å; Y242-D288 VanDerWaalsContact OH-N 3.16Å; K243-D288 IonicContact NZ-OD2 3.21Å; K243-D288 PolarHBondContact NZ-OD2 3.37Å; D288-T297 PolarHBondContact O-OG1 2.98Å; D288-Y299 PolarHBondContact N-OH 3.49Å; D288-Y299 PolarHBondContact O-OH 3.31Å; D288-Y299 VanDerWaalsContact O-OH 3.13Å; D288-R331 IonicContact OD2-CZ 3.69Å; D288-R331 IonicContact OD2-NH1 2.7Å; D288-R331 PolarHBondContact OD2-NH1 3.14Å; D288-R331 IonicContact OD2-NH2 3.57Å; D288-Y333 WeakPolarHBondContact CB-OH 3.38Å; D288-Y333 VanDerWaalsContact CG-OH 3.26Å; D288-Y333 WeakPolarHBondContact OD2-CE1 3.43Å; D288-Y333 PolarHBondContact OD2-OH 3.45Å; D288-Q350 PolarHBondContact O-NE2 2.61Å
289T93.9Very high86.7Confident40 Ų4058.6 Ų58.625%0.24532%0.316CS..  trans-121.1158.5-179.366.50000110R216 L220 F231 L287 F295R216-T289 PolarHBondContact NH2-OG1 3.32Å; R216-T289 VanDerWaalsContact NH2-OG1 3.12Å; L220-T289 HydrophobicContact CD2-CG2 3.79Å; F231-T289 HydrophobicContact CD1-CG2 4.31Å; F231-T289 HydrophobicContact CE1-CG2 4.41Å; L287-T289 HydrophobicContact CD1-CG2 4.08Å; T289-F295 WeakPolarHBondContact CB-O 3.45Å
290S92.6Very high88.4Confident15 Ų1551.1 Ų51.111%0.10529%0.288CS..  trans-69.3156.8171.275.60000110.6R216 T292 F295 C296R216-S290 PolarHBondContact NH2-O 2.85Å; S290-T292 VanDerWaalsContact C-N 3.28Å; S290-T292 PolarHBondContact O-N 2.83Å; S290-T292 PolarHBondContact OG-O 2.91Å; S290-T292 VanDerWaalsContact OG-O 3.13Å; S290-F295 PolarHBondContact N-O 3.22Å; S290-F295 VanDerWaalsContact OG-C 3.31Å; S290-F295 WeakPolarHBondContact OG-CA 3.4Å; S290-C296 WeakPolarHBondContact CB-O 3.25Å; S290-C296 PolarHBondContact OG-O 2.85Å
291G89.4Confident90Very high65 Ų6546.5 Ų46.567%0.6726%0.258SS*.SBendtrans-66.7-29.5-176.800000113.6R216R216-G291 PolarHBondContact NH1-O 2.84Å
292T89.1Confident91.1Very high105 Ų10542.4 Ų42.464%0.64424%0.236SC*.SBendtrans-113148.4-168.949.90000112.3S290 F295S290-T292 VanDerWaalsContact C-N 3.28Å; S290-T292 PolarHBondContact O-N 2.83Å; S290-T292 PolarHBondContact OG-O 2.91Å; S290-T292 VanDerWaalsContact OG-O 3.13Å; T292-F295 VanDerWaalsContact O-CA 3.3Å; T292-F295 WeakPolarHBondContact O-CA 3.48Å; T292-F295 WeakPolarHBondContact O-CD1 3.46Å; T292-F295 PolarHBondContact O-N 3.43Å
293Y90.1Very high91.6Very high120 Ų12036 Ų3647%0.47121%0.212SC..THydrogen-bonded Turntrans-58.2135.2176.2-177.9-90.6000109.1A223 E226 T227 F295A223-Y293 HydrophobicContact CB-CE2 4.14Å; E226-Y293 PolarHBondContact OE2-OH 3.45Å; T227-Y293 HydrophobicContact CG2-CE1 4.4Å; T227-Y293 HydrophobicContact CG2-CE2 4.09Å; T227-Y293 WeakPolarHBondContact CG2-OH 3.44Å; Y293-F295 VanDerWaalsContact CA-CE1 3.46Å; Y293-F295 HydrophobicContact CD2-CD2 4.3Å; Y293-F295 AromaticContact CD2-CE2 3.75Å; Y293-F295 HydrophobicContact CD2-CE2 3.75Å; Y293-F295 HydrophobicContact CD2-CZ 4.11Å
294P94Very high91.8Very high52 Ų5233.5 Ų33.534%0.33820%0.197SC..THydrogen-bonded Turncis-88.512.214.536.6-38.4000116T227 C229 F231 C296T227-P294 HydrophobicContact CG2-CB 3.63Å; C229-P294 PolarHBondContact SG-O 3.49Å; F231-P294 WeakPolarHBondContact CZ-O 3.44Å; P294-C296 HydrophobicContact CG-CB 4.45Å; P294-C296 PolarHBondContact O-N 3.35Å
295F94.6Very high91.8Very high13 Ų1332.2 Ų32.26%0.05719%0.187CC..  trans69.86.5177.7-40.3-55.7000115.5R216 H219 L220 A223 F231 T289 S290 T292 Y293R216-F295 VanDerWaalsContact NH1-CD1 3.25Å; H219-F295 HydrophobicContact CB-CE2 3.87Å; H219-F295 HydrophobicContact CB-CZ 4.2Å; L220-F295 HydrophobicContact CD2-CB 3.86Å; L220-F295 HydrophobicContact CD2-CD2 3.88Å; L220-F295 HydrophobicContact CD2-CG 4.03Å; A223-F295 HydrophobicContact CB-CD2 3.94Å; A223-F295 HydrophobicContact CB-CE2 4.38Å; F231-F295 HydrophobicContact CE1-CB 3.95Å; F231-F295 HydrophobicContact CZ-CB 4.25Å; T289-F295 WeakPolarHBondContact CB-O 3.45Å; S290-F295 PolarHBondContact N-O 3.22Å; S290-F295 VanDerWaalsContact OG-C 3.31Å; S290-F295 WeakPolarHBondContact OG-CA 3.4Å; T292-F295 VanDerWaalsContact O-CA 3.3Å; T292-F295 WeakPolarHBondContact O-CA 3.48Å; T292-F295 WeakPolarHBondContact O-CD1 3.46Å; T292-F295 PolarHBondContact O-N 3.43Å; Y293-F295 VanDerWaalsContact CA-CE1 3.46Å; Y293-F295 HydrophobicContact CD2-CD2 4.3Å; Y293-F295 AromaticContact CD2-CE2 3.75Å; Y293-F295 HydrophobicContact CD2-CE2 3.75Å; Y293-F295 HydrophobicContact CD2-CZ 4.11Å
296C94.1Very high91.4Very high17 Ų1730.7 Ų30.712%0.11518%0.178CC..  trans-53140.8178.2-79.40000112.3C229 S290 P294 Y298C229-C296 WeakPolarHBondContact CA-SG 3.41Å; C229-C296 HydrophobicContact CB-CB 4.12Å; C229-C296 WeakPolarHBondContact CB-SG 3.48Å; C229-C296 WeakPolarHBondContact SG-CA 3.24Å; C229-C296 WeakPolarHBondContact SG-CB 3.48Å; C229-C296 PolarHBondContact SG-N 3.23Å; C229-C296 CovalentContact SG-SG 2.02Å; C229-C296 PolarHBondContact SG-SG 3.19Å; S290-C296 WeakPolarHBondContact CB-O 3.25Å; S290-C296 PolarHBondContact OG-O 2.85Å; P294-C296 HydrophobicContact CG-CB 4.45Å; P294-C296 PolarHBondContact O-N 3.35Å; C296-Y298 HydrophobicContact CB-CE2 4.01Å
297T94.1Very high90.6Very high6 Ų632.3 Ų32.34%0.03719%0.192CC..  trans-143.8151.3165.656.30000108.8D288 Y299 Q350 Y352D288-T297 PolarHBondContact O-OG1 2.98Å; T297-Y299 WeakPolarHBondContact OG1-CE2 3.18Å; T297-Q350 VanDerWaalsContact CB-NE2 3.3Å; T297-Q350 HydrophobicContact CG2-CG 4.33Å; T297-Q350 PolarHBondContact OG1-NE2 3.49Å; T297-Y352 HydrophobicContact CG2-CD1 4.29Å; T297-Y352 HydrophobicContact CG2-CE1 4.45Å
298Y93.8Very high89.5Confident30 Ų3032.5 Ų32.512%0.11819%0.194CC..EExtended strand (participates in β ladder)trans-124.3126.8-172.5-54.5-86.3000109.6C296 Q350 F351 Y352 N353 D354 T389 Y390C296-Y298 HydrophobicContact CB-CE2 4.01Å; Y298-Q350 CarbonylContact O-C 3.57Å; Y298-Q350 WeakPolarHBondContact O-CA 3.41Å; Y298-F351 PolarHBondContact N-O 2.92Å; Y298-F351 PolarHBondContact O-N 3.21Å; Y298-Y352 WeakPolarHBondContact CE2-O 3.41Å; Y298-N353 WeakPolarHBondContact CD2-O 3.39Å; Y298-N353 VanDerWaalsContact CE2-C 3.4Å; Y298-D354 HydrophobicContact CD1-CB 3.86Å; Y298-D354 HydrophobicContact CD2-CB 4.31Å; Y298-D354 HydrophobicContact CE1-CB 3.55Å; Y298-D354 HydrophobicContact CE2-CB 4.02Å; Y298-D354 VanDerWaalsContact CE2-N 3.25Å; Y298-D354 HydrophobicContact CG-CB 4.22Å; Y298-T389 WeakPolarHBondContact CA-OG1 3.07Å; Y298-T389 HydrophobicContact CD1-CG2 3.99Å; Y298-Y390 HydrophobicContact CD1-CD2 4.48Å; Y298-Y390 AromaticContact CD1-CE2 3.69Å; Y298-Y390 HydrophobicContact CD1-CE2 3.69Å; Y298-Y390 AromaticContact CE1-CE2 3.78Å; Y298-Y390 HydrophobicContact CE1-CE2 3.78Å
299Y92.8Very high88.4Confident1 Ų140.5 Ų40.50%0.00423%0.228CC..EExtended strand (participates in β ladder)trans-108.5135.3-174.4-70.9-88.6000110.9I232 F234 Y242 D288 T297 Y333 L348 A349 Q350 L388 T389I232-Y299 HydrophobicContact CG2-CD2 3.37Å; I232-Y299 HydrophobicContact CG2-CE2 3.95Å; I232-Y299 HydrophobicContact CG2-CG 4.18Å; F234-Y299 AromaticContact CE2-CD1 3.77Å; F234-Y299 HydrophobicContact CE2-CD1 3.77Å; F234-Y299 HydrophobicContact CE2-CD2 4.08Å; F234-Y299 AromaticContact CE2-CE1 3.97Å; F234-Y299 HydrophobicContact CE2-CE1 3.97Å; F234-Y299 HydrophobicContact CE2-CE2 4.27Å; F234-Y299 AromaticContact CE2-CG 3.79Å; F234-Y299 HydrophobicContact CE2-CG 3.79Å; F234-Y299 HydrophobicContact CZ-CD1 4.22Å; F234-Y299 HydrophobicContact CZ-CD2 4.48Å; F234-Y299 AromaticContact CZ-CG 3.98Å; F234-Y299 HydrophobicContact CZ-CG 3.98Å; Y242-Y299 PolarHBondContact OH-OH 3.4Å; D288-Y299 PolarHBondContact N-OH 3.49Å; D288-Y299 PolarHBondContact O-OH 3.31Å; D288-Y299 VanDerWaalsContact O-OH 3.13Å; T297-Y299 WeakPolarHBondContact OG1-CE2 3.18Å; Y299-Y333 HydrophobicContact CE1-CE2 4.28Å; Y299-L348 HydrophobicContact CD1-CD1 3.83Å; Y299-L348 HydrophobicContact CD1-CD2 4.26Å; Y299-L348 HydrophobicContact CD1-CG 4.05Å; Y299-L348 HydrophobicContact CE1-CD2 4.34Å; Y299-A349 WeakPolarHBondContact CA-O 3.46Å; Y299-Q350 HydrophobicContact CD1-CB 4.21Å; Y299-Q350 HydrophobicContact CE1-CB 3.95Å; Y299-Q350 HydrophobicContact CE1-CG 4.35Å; Y299-Q350 VanDerWaalsContact CZ-NE2 3.34Å; Y299-Q350 PolarHBondContact OH-NE2 3.07Å; Y299-L388 PolarHBondContact O-N 3.41Å; Y299-T389 PolarHBondContact N-OG1 2.8Å; Y299-T389 PolarHBondContact O-N 3.42Å
300F92Very high87.2Confident9 Ų942.3 Ų42.34%0.03924%0.239CC..EExtended strand (participates in β ladder)trans-125.6152.7168.9-69.9-104.6000109A349 F351 I358 L385 K386F300-A349 PolarHBondContact N-O 3.13Å; F300-A349 PolarHBondContact O-N 3.21Å; F300-F351 HydrophobicContact CB-CE2 4.31Å; F300-F351 AromaticContact CD2-CD2 3.62Å; F300-F351 HydrophobicContact CD2-CD2 3.62Å; F300-F351 AromaticContact CD2-CE2 3.78Å; F300-F351 HydrophobicContact CD2-CE2 3.78Å; F300-F351 HydrophobicContact CE2-CD2 4.12Å; F300-F351 HydrophobicContact CE2-CE2 4.46Å; F300-F351 HydrophobicContact CG-CE2 4.28Å; F300-I358 HydrophobicContact CE1-CD1 4.29Å; F300-L385 HydrophobicContact CB-CD1 3.89Å; F300-L385 HydrophobicContact CD1-CD1 4.17Å; F300-L385 HydrophobicContact CD1-CD2 4.31Å; F300-L385 HydrophobicContact CD1-CG 4.02Å; F300-L385 HydrophobicContact CG-CD1 4.4Å; F300-K386 CarbonylContact C-O 3.53Å; F300-K386 VanDerWaalsContact CA-O 3.26Å; F300-K386 WeakPolarHBondContact CA-O 3.09Å
301V90.6Very high86.4Confident10 Ų1041.7 Ų41.76%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-112.4127.6165.662.50000109.1V248 K346 I347 L385 K386 L388V248-V301 HydrophobicContact CB-CG2 4.41Å; V301-K346 HydrophobicContact CG2-CB 4.09Å; V301-I347 WeakPolarHBondContact CA-O 3.38Å; V301-L385 WeakPolarHBondContact O-CA 3.24Å; V301-K386 HydrophobicContact CG1-CB 3.91Å; V301-K386 PolarHBondContact N-O 3.14Å; V301-K386 PolarHBondContact O-N 3.16Å; V301-L388 HydrophobicContact CB-CD1 3.88Å; V301-L388 HydrophobicContact CB-CD2 4.44Å; V301-L388 HydrophobicContact CB-CG 4.2Å; V301-L388 HydrophobicContact CG1-CD1 4.22Å; V301-L388 HydrophobicContact CG1-CD2 3.86Å; V301-L388 HydrophobicContact CG1-CG 4.03Å
302L91.2Very high85.2Confident0 Ų042.3 Ų42.30%022%0.221CC..EExtended strand (participates in β ladder)trans-99.1115170-176.166.3000108.2I304 F318 K346 I347 L363 L383 M384 L385L302-I304 HydrophobicContact CD2-CD1 3.93Å; L302-I304 HydrophobicContact CD2-CG1 4.33Å; L302-I304 HydrophobicContact CG-CD1 4.18Å; L302-I304 HydrophobicContact CG-CG1 4.02Å; L302-F318 HydrophobicContact CB-CE1 4.11Å; L302-F318 HydrophobicContact CB-CZ 4.36Å; L302-F318 HydrophobicContact CD2-CB 4.22Å; L302-F318 HydrophobicContact CD2-CD1 3.49Å; L302-F318 VanDerWaalsContact CD2-CD1 3.49Å; L302-F318 HydrophobicContact CD2-CD2 4.47Å; L302-F318 HydrophobicContact CD2-CE1 3.84Å; L302-F318 HydrophobicContact CD2-CG 3.83Å; L302-F318 HydrophobicContact CD2-CZ 4.47Å; L302-K346 CarbonylContact O-C 3.52Å; L302-K346 WeakPolarHBondContact O-CA 3.46Å; L302-I347 HydrophobicContact CB-CB 4.35Å; L302-I347 PolarHBondContact N-O 3.31Å; L302-I347 PolarHBondContact O-N 3.1Å; L302-L363 HydrophobicContact CD2-CD1 4.26Å; L302-L383 HydrophobicContact CD1-CD1 3.9Å; L302-L383 HydrophobicContact CD1-CD2 3.66Å; L302-L383 HydrophobicContact CD1-CG 3.62Å; L302-M384 CarbonylContact C-O 3.48Å; L302-M384 WeakPolarHBondContact CA-O 3.19Å; L302-L385 HydrophobicContact CB-CD1 4.33Å; L302-L385 HydrophobicContact CD1-CB 4.26Å; L302-L385 HydrophobicContact CD1-CD1 4.15Å
303S89.7Confident84.4Confident5 Ų540.1 Ų40.14%0.03521%0.205CC..EExtended strand (participates in β ladder)trans-106.4124.7178.7-48.70000109.3E344 V345 L383 M384S303-E344 WeakPolarHBondContact CB-OE1 3.28Å; S303-V345 CarbonylContact C-O 3.51Å; S303-V345 VanDerWaalsContact CA-O 3.28Å; S303-V345 WeakPolarHBondContact CA-O 3.44Å; S303-L383 CarbonylContact O-C 3.51Å; S303-L383 WeakPolarHBondContact O-CA 3.06Å; S303-M384 PolarHBondContact N-O 2.7Å; S303-M384 PolarHBondContact O-N 3.14Å
304I88.8Confident83.9Confident0 Ų034.5 Ų34.50%018%0.184CC..EExtended strand (participates in β ladder)trans-126.3120.1-174-52.6178.4000108.2L302 V306 F316 V345 I347 I380 S382 L383L302-I304 HydrophobicContact CD2-CD1 3.93Å; L302-I304 HydrophobicContact CD2-CG1 4.33Å; L302-I304 HydrophobicContact CG-CD1 4.18Å; L302-I304 HydrophobicContact CG-CG1 4.02Å; I304-V306 HydrophobicContact CG2-CG2 3.79Å; I304-F316 HydrophobicContact CD1-CB 4.42Å; I304-F316 HydrophobicContact CD1-CD1 3.87Å; I304-F316 HydrophobicContact CD1-CD2 3.92Å; I304-F316 HydrophobicContact CD1-CE1 4Å; I304-F316 HydrophobicContact CD1-CE2 4.03Å; I304-F316 HydrophobicContact CD1-CG 3.81Å; I304-F316 HydrophobicContact CD1-CZ 4.05Å; I304-F316 HydrophobicContact CG2-CZ 4.12Å; I304-V345 HydrophobicContact CB-CB 4.34Å; I304-V345 PolarHBondContact N-O 2.99Å; I304-V345 PolarHBondContact O-N 3.41Å; I304-I347 HydrophobicContact CD1-CD1 4.33Å; I304-I380 HydrophobicContact CG2-CB 4.44Å; I304-I380 HydrophobicContact CG2-CD1 4.01Å; I304-I380 HydrophobicContact CG2-CG1 4.12Å; I304-I380 HydrophobicContact CG2-CG2 3.52Å; I304-S382 WeakPolarHBondContact CA-O 3.35Å; I304-L383 HydrophobicContact CG1-CD1 4.49Å
305I88Confident83.3Confident52 Ų5233.6 Ų33.627%0.26718%0.179SC..EExtended strand (participates in β ladder)trans-95.1114.4174.3-59.5-173.4000108P307 Q343 E344 Q381 S382I305-P307 WeakPolarHBondContact O-CD 3.36Å; I305-Q343 WeakPolarHBondContact CG2-O 3.31Å; I305-E344 HydrophobicContact CG1-CB 4.48Å; I305-E344 HydrophobicContact CG1-CG 4.34Å; I305-Q381 HydrophobicContact CB-CB 4.33Å; I305-Q381 HydrophobicContact CG2-CB 4.01Å; I305-Q381 HydrophobicContact CG2-CG 4.38Å; I305-Q381 PolarHBondContact O-N 3.49Å; I305-S382 WeakPolarHBondContact CB-OG 3.29Å; I305-S382 VanDerWaalsContact CD1-OG 3.32Å; I305-S382 WeakPolarHBondContact CD1-OG 3.4Å; I305-S382 WeakPolarHBondContact CG1-OG 3.46Å; I305-S382 PolarHBondContact N-O 2.84Å
306V83.8Confident83Confident17 Ų1733 Ų3310%0.10318%0.176CC..  trans-109104-176.1-177.50000109I304 D308 M311 F316 V345I304-V306 HydrophobicContact CG2-CG2 3.79Å; V306-D308 VanDerWaalsContact C-N 3.27Å; V306-D308 HydrophobicContact CG1-CB 4.25Å; V306-D308 WeakPolarHBondContact CG1-O 3.47Å; V306-M311 HydrophobicContact CB-SD 4.44Å; V306-M311 HydrophobicContact CG1-CB 4.02Å; V306-M311 HydrophobicContact CG1-CG 4.05Å; V306-M311 HydrophobicContact CG1-SD 3.32Å; V306-M311 WeakPolarHBondContact CG1-SD 3.49Å; V306-M311 HydrophobicContact CG2-SD 4.24Å; V306-F316 HydrophobicContact CG2-CZ 4.34Å; V306-V345 HydrophobicContact CG2-CG2 4.34Å
307P75.8Confident82.7Confident75 Ų7534.2 Ų34.249%0.48719%0.185SC..  trans-75.9-21.117431.5-35.9000112.1I305 K309 K379 Q381I305-P307 WeakPolarHBondContact O-CD 3.36Å; P307-K309 PolarHBondContact O-N 2.58Å; P307-K379 WeakPolarHBondContact CD-O 3.5Å; P307-Q381 HydrophobicContact CG-CB 3.97Å
308D68.5Low82.7Confident38 Ų3834.3 Ų34.320%0.20319%0.185CC..  trans-80.6114-172-162.8-25.2000111.9V306 T310 M311 K379V306-D308 VanDerWaalsContact C-N 3.27Å; V306-D308 HydrophobicContact CG1-CB 4.25Å; V306-D308 WeakPolarHBondContact CG1-O 3.47Å; D308-T310 PolarHBondContact O-N 3.13Å; D308-T310 VanDerWaalsContact OD1-CB 3.3Å; D308-T310 WeakPolarHBondContact OD1-CB 3.29Å; D308-T310 VanDerWaalsContact OD1-CG2 3.31Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.17Å; D308-T310 PolarHBondContact OD1-N 2.95Å; D308-T310 PolarHBondContact OD1-OG1 2.9Å; D308-T310 PolarHBondContact OD2-OG1 2.86Å; D308-M311 HydrophobicContact CB-CG 4.49Å; D308-M311 PolarHBondContact O-N 3.17Å; D308-K379 PolarHBondContact OD2-N 3.36Å
309K69.4Low82.7Confident181 Ų18134.4 Ų34.479%0.78719%0.186SC*.THydrogen-bonded Turntrans-70.7-7.4179.2-61.4-176.5-177.7177.70113.2P307 M312P307-K309 PolarHBondContact O-N 2.58Å; K309-M312 WeakPolarHBondContact O-CG 3.28Å
310T69.7Low82.9Confident78 Ų7834.3 Ų34.348%0.47919%0.185SC..THydrogen-bonded Turntrans-79.6-20.6179.664.10000113.3D308 M312D308-T310 PolarHBondContact O-N 3.13Å; D308-T310 VanDerWaalsContact OD1-CB 3.3Å; D308-T310 WeakPolarHBondContact OD1-CB 3.29Å; D308-T310 VanDerWaalsContact OD1-CG2 3.31Å; D308-T310 WeakPolarHBondContact OD1-CG2 3.17Å; D308-T310 PolarHBondContact OD1-N 2.95Å; D308-T310 PolarHBondContact OD1-OG1 2.9Å; D308-T310 PolarHBondContact OD2-OG1 2.86Å; T310-M312 PolarHBondContact O-N 2.85Å
311M74.1Confident83Confident2 Ų235.6 Ų35.61%0.0119%0.192CC..  trans-75.674.3175.5-61.2-177.283.500109.3V306 D308 F316 F339 Y365 Y378V306-M311 HydrophobicContact CB-SD 4.44Å; V306-M311 HydrophobicContact CG1-CB 4.02Å; V306-M311 HydrophobicContact CG1-CG 4.05Å; V306-M311 HydrophobicContact CG1-SD 3.32Å; V306-M311 WeakPolarHBondContact CG1-SD 3.49Å; V306-M311 HydrophobicContact CG2-SD 4.24Å; D308-M311 HydrophobicContact CB-CG 4.49Å; D308-M311 PolarHBondContact O-N 3.17Å; M311-F316 HydrophobicContact CE-CE1 3.81Å; M311-F316 HydrophobicContact CE-CE2 4.21Å; M311-F316 HydrophobicContact CE-CZ 3.33Å; M311-F339 HydrophobicContact CB-CD2 4.47Å; M311-F339 VanDerWaalsContact O-CB 3.27Å; M311-F339 WeakPolarHBondContact O-CB 3.29Å; M311-F339 VanDerWaalsContact O-CD2 3.3Å; M311-F339 WeakPolarHBondContact O-CD2 3.44Å; M311-Y365 WeakPolarHBondContact CA-OH 3.21Å; M311-Y365 HydrophobicContact CE-CD1 3.67Å; M311-Y365 HydrophobicContact CE-CD2 3.34Å; M311-Y365 HydrophobicContact CE-CE1 3.68Å; M311-Y365 HydrophobicContact CE-CE2 3.34Å; M311-Y365 HydrophobicContact CE-CG 3.49Å; M311-Y365 VanDerWaalsContact CE-CG 3.49Å; M311-Y365 HydrophobicContact CG-CE1 4.23Å; M311-Y378 HydrophobicContact CE-CG 4.32Å; M311-Y378 HydrophobicContact CG-CD1 3.5Å; M311-Y378 VanDerWaalsContact CG-CD1 3.5Å; M311-Y378 HydrophobicContact CG-CE1 4.28Å; M311-Y378 HydrophobicContact CG-CG 3.97Å; M311-Y378 HydrophobicContact SD-CD1 4.41Å; M311-Y378 HydrophobicContact SD-CG 4.32Å
312M65.3Low83.2Confident77 Ų7735.6 Ų35.638%0.37919%0.192SC..  trans-86.9-43.1-168.6-71.7-67.7-74.300114.2K309 T310 P338 F339 Y340K309-M312 WeakPolarHBondContact O-CG 3.28Å; T310-M312 PolarHBondContact O-N 2.85Å; M312-P338 CarbonylContact O-C 3.51Å; M312-P338 WeakPolarHBondContact O-CA 3.27Å; M312-P338 WeakPolarHBondContact O-CB 3.35Å; M312-F339 PolarHBondContact O-N 3.41Å; M312-F339 VanDerWaalsContact O-N 3.11Å; M312-Y340 HydrophobicContact CE-CD1 3.46Å; M312-Y340 VanDerWaalsContact CE-CD1 3.46Å; M312-Y340 HydrophobicContact CE-CE1 4.07Å; M312-Y340 HydrophobicContact CE-CG 3.9Å; M312-Y340 VanDerWaalsContact SD-CB 3.59Å; M312-Y340 HydrophobicContact SD-CD1 3.93Å; M312-Y340 HydrophobicContact SD-CG 4.07Å
313D72.6Confident83.2Confident59 Ų5942.5 Ų42.532%0.31622%0.224SC..SBendtrans-147.930.6-16871.9-17.5000114.1Q367 S368 S369D313-Q367 PolarHBondContact OD1-NE2 2.7Å; D313-S368 WeakPolarHBondContact O-CB 3.36Å; D313-S368 PolarHBondContact O-OG 3.18Å; D313-S369 WeakPolarHBondContact OD1-CB 3.35Å; D313-S369 PolarHBondContact OD1-N 2.7Å; D313-S369 PolarHBondContact OD1-OG 2.6Å; D313-S369 VanDerWaalsContact OD1-OG 3.04Å; D313-S369 VanDerWaalsContact OD2-CB 3.25Å; D313-S369 WeakPolarHBondContact OD2-CB 3.41Å; D313-S369 PolarHBondContact OD2-N 2.59Å
314G78.7Confident83.4Confident3 Ų349.2 Ų49.23%0.03126%0.259CS..  trans-88.1-172.8178.200000116.3F339 Y365 F366G314-F339 VanDerWaalsContact C-CE2 3.48Å; G314-F339 WeakPolarHBondContact O-CE2 3.38Å; G314-F339 WeakPolarHBondContact O-CZ 3.17Å; G314-Y365 WeakPolarHBondContact CA-OH 3.48Å; G314-Y365 PolarHBondContact N-OH 3.43Å; G314-F366 CarbonylContact C-O 3.57Å; G314-F366 WeakPolarHBondContact CA-O 3.44Å
315S82.6Confident83.5Confident32 Ų3251.7 Ų51.722%0.22428%0.284CS..EExtended strand (participates in β ladder)trans-132.9155.5170.461.70000110.9Y365 F366S315-Y365 WeakPolarHBondContact O-CD2 3.5Å; S315-F366 PolarHBondContact N-O 2.82Å; S315-F366 PolarHBondContact O-N 3.14Å
316F86.6Confident83.8Confident2 Ų254.3 Ų54.31%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-109.9130.3175.4-74.4-81.8000108.8I304 V306 M311 E334 F339 I347 L363 T364 Y365 I380 L403I304-F316 HydrophobicContact CD1-CB 4.42Å; I304-F316 HydrophobicContact CD1-CD1 3.87Å; I304-F316 HydrophobicContact CD1-CD2 3.92Å; I304-F316 HydrophobicContact CD1-CE1 4Å; I304-F316 HydrophobicContact CD1-CE2 4.03Å; I304-F316 HydrophobicContact CD1-CG 3.81Å; I304-F316 HydrophobicContact CD1-CZ 4.05Å; I304-F316 HydrophobicContact CG2-CZ 4.12Å; V306-F316 HydrophobicContact CG2-CZ 4.34Å; M311-F316 HydrophobicContact CE-CE1 3.81Å; M311-F316 HydrophobicContact CE-CE2 4.21Å; M311-F316 HydrophobicContact CE-CZ 3.33Å; F316-E334 VanDerWaalsContact O-OE1 3.12Å; F316-F339 HydrophobicContact CD2-CE1 4.22Å; F316-F339 HydrophobicContact CD2-CZ 4.01Å; F316-F339 HydrophobicContact CE2-CE1 4.08Å; F316-F339 AromaticContact CE2-CZ 3.99Å; F316-F339 HydrophobicContact CE2-CZ 3.99Å; F316-I347 HydrophobicContact CB-CD1 3.68Å; F316-I347 HydrophobicContact CD2-CD1 4.27Å; F316-I347 HydrophobicContact CG-CD1 4.32Å; F316-L363 HydrophobicContact CD1-CD1 4.03Å; F316-L363 HydrophobicContact CD1-CG 4.45Å; F316-T364 WeakPolarHBondContact CA-O 3.07Å; F316-Y365 AromaticContact CD1-CD2 3.8Å; F316-Y365 HydrophobicContact CD1-CD2 3.8Å; F316-Y365 HydrophobicContact CD1-CG 4.43Å; F316-Y365 HydrophobicContact CD2-CD2 4.13Å; F316-Y365 HydrophobicContact CD2-CE2 4.46Å; F316-Y365 AromaticContact CE1-CD2 3.58Å; F316-Y365 HydrophobicContact CE1-CD2 3.58Å; F316-Y365 HydrophobicContact CE1-CE2 4.45Å; F316-Y365 HydrophobicContact CE1-CG 4.13Å; F316-Y365 AromaticContact CE2-CD2 3.93Å; F316-Y365 HydrophobicContact CE2-CD2 3.93Å; F316-Y365 HydrophobicContact CE2-CE2 4.09Å; F316-Y365 HydrophobicContact CG-CD2 4.08Å; F316-Y365 AromaticContact CZ-CD2 3.68Å; F316-Y365 HydrophobicContact CZ-CD2 3.68Å; F316-Y365 HydrophobicContact CZ-CE2 4.11Å; F316-I380 HydrophobicContact CE1-CD1 3.78Å; F316-I380 HydrophobicContact CZ-CD1 4.17Å; F316-L403 HydrophobicContact CE1-CD1 4.12Å
317S89.1Confident84.3Confident42 Ų4257.9 Ų57.929%0.29431%0.314SS..EExtended strand (participates in β ladder)trans-108.2149.3160.974.80000109.4T364 F366S317-T364 PolarHBondContact N-O 2.92Å; S317-T364 PolarHBondContact O-N 3.3Å; S317-F366 WeakPolarHBondContact OG-CE2 3.43Å
318F93.1Very high85.2Confident8 Ų855.5 Ų55.54%0.03530%0.296CS..EExtended strand (participates in β ladder)trans-145.9158.1171.579.8-85.1000111.1L302 L320 P330 L332 A349 F351 I361 G362 L363 L385L302-F318 HydrophobicContact CB-CE1 4.11Å; L302-F318 HydrophobicContact CB-CZ 4.36Å; L302-F318 HydrophobicContact CD2-CB 4.22Å; L302-F318 HydrophobicContact CD2-CD1 3.49Å; L302-F318 VanDerWaalsContact CD2-CD1 3.49Å; L302-F318 HydrophobicContact CD2-CD2 4.47Å; L302-F318 HydrophobicContact CD2-CE1 3.84Å; L302-F318 HydrophobicContact CD2-CG 3.83Å; L302-F318 HydrophobicContact CD2-CZ 4.47Å; F318-L320 HydrophobicContact CD2-CD2 3.94Å; F318-L320 HydrophobicContact CD2-CG 4.38Å; F318-L320 HydrophobicContact CE2-CD2 3.8Å; F318-L320 HydrophobicContact CE2-CG 4.05Å; F318-P330 HydrophobicContact CD1-CG 4.17Å; F318-P330 HydrophobicContact CD2-CG 4.39Å; F318-P330 HydrophobicContact CE1-CG 3.86Å; F318-P330 HydrophobicContact CE2-CG 4.08Å; F318-P330 HydrophobicContact CG-CG 4.45Å; F318-P330 HydrophobicContact CZ-CB 4.35Å; F318-P330 HydrophobicContact CZ-CG 3.82Å; F318-P330 WeakPolarHBondContact O-CD 3.33Å; F318-P330 WeakPolarHBondContact O-CG 3.48Å; F318-L332 HydrophobicContact CD1-CD2 3.91Å; F318-L332 HydrophobicContact CE1-CD2 3.5Å; F318-L332 HydrophobicContact CZ-CD2 4.43Å; F318-A349 HydrophobicContact CE1-CB 3.72Å; F318-A349 HydrophobicContact CZ-CB 3.42Å; F318-A349 VanDerWaalsContact CZ-CB 3.42Å; F318-F351 HydrophobicContact CE2-CE2 4.48Å; F318-F351 AromaticContact CE2-CZ 3.93Å; F318-F351 HydrophobicContact CE2-CZ 3.93Å; F318-F351 HydrophobicContact CZ-CE2 4.44Å; F318-F351 HydrophobicContact CZ-CZ 4.22Å; F318-I361 HydrophobicContact CB-CG2 4.38Å; F318-I361 HydrophobicContact CD2-CG2 4.23Å; F318-G362 CarbonylContact C-O 3.58Å; F318-G362 WeakPolarHBondContact CA-O 3.31Å; F318-G362 VanDerWaalsContact CB-O 3.28Å; F318-G362 WeakPolarHBondContact CB-O 3.14Å; F318-L363 HydrophobicContact CB-CD1 3.98Å; F318-L385 HydrophobicContact CE2-CD1 4.22Å; F318-L385 HydrophobicContact CZ-CD1 4.34Å
319K94.8Very high86.3Confident31 Ų3160.6 Ų60.614%0.13532%0.319CS..EExtended strand (participates in β ladder)trans-137.3156.3171.469.8-163.8-173-159.10110.1I327 E329 G362 E408K319-I327 HydrophobicContact CB-CG2 4.21Å; K319-I327 HydrophobicContact CD-CG2 3.78Å; K319-I327 HydrophobicContact CG-CG2 4.02Å; K319-E329 HydrophobicContact CB-CG 3.97Å; K319-G362 PolarHBondContact N-O 3.42Å; K319-G362 PolarHBondContact O-N 3.22Å; K319-E408 WeakPolarHBondContact CD-OE1 3.41Å; K319-E408 VanDerWaalsContact CE-CD 3.45Å; K319-E408 WeakPolarHBondContact CE-OE1 3.42Å; K319-E408 WeakPolarHBondContact CE-OE2 3.42Å; K319-E408 IonicContact NZ-OE1 3.8Å; K319-E408 PolarHBondContact NZ-OE1 3.14Å; K319-E408 IonicContact NZ-OE2 3.68Å; K319-E408 PolarHBondContact NZ-OE2 2.86Å
320L96Very high87.4Confident0 Ų052.8 Ų52.80%029%0.287CS..EExtended strand (participates in β ladder)trans-106.5135.7-179.4-57.9-178.5000109.8F318 I327 E328 F351 F355 I358 I361 L385F318-L320 HydrophobicContact CD2-CD2 3.94Å; F318-L320 HydrophobicContact CD2-CG 4.38Å; F318-L320 HydrophobicContact CE2-CD2 3.8Å; F318-L320 HydrophobicContact CE2-CG 4.05Å; L320-I327 CarbonylContact O-C 3.58Å; L320-I327 VanDerWaalsContact O-CA 3.28Å; L320-I327 WeakPolarHBondContact O-CA 3.49Å; L320-E328 PolarHBondContact N-O 3.29Å; L320-E328 PolarHBondContact O-N 3.05Å; L320-F351 HydrophobicContact CD1-CE1 3.77Å; L320-F351 HydrophobicContact CD1-CE2 3.87Å; L320-F351 HydrophobicContact CD1-CZ 3.31Å; L320-F351 HydrophobicContact CG-CE1 4.02Å; L320-F351 HydrophobicContact CG-CZ 3.69Å; L320-F355 HydrophobicContact CB-CD1 3.45Å; L320-F355 VanDerWaalsContact CB-CD1 3.45Å; L320-F355 HydrophobicContact CB-CE1 3.27Å; L320-F355 HydrophobicContact CB-CG 4.37Å; L320-F355 HydrophobicContact CB-CZ 4.07Å; L320-F355 HydrophobicContact CD1-CB 4.48Å; L320-F355 HydrophobicContact CD1-CD1 3.82Å; L320-F355 HydrophobicContact CD1-CG 4.44Å; L320-F355 HydrophobicContact CG-CD1 4.3Å; L320-F355 VanDerWaalsContact O-CZ 3.28Å; L320-F355 WeakPolarHBondContact O-CZ 3.43Å; L320-I358 HydrophobicContact CD1-CD1 3.86Å; L320-I358 HydrophobicContact CD1-CG1 4.38Å; L320-I358 HydrophobicContact CD2-CD1 4.48Å; L320-I358 HydrophobicContact CD2-CG2 4.32Å; L320-I361 HydrophobicContact CD2-CG1 3.96Å; L320-I361 HydrophobicContact CD2-CG2 4.34Å; L320-L385 HydrophobicContact CD1-CD2 4.23Å; L320-L385 HydrophobicContact CD2-CD2 3.61Å
321L95.6Very high88.4Confident35 Ų3553.8 Ų53.818%0.18328%0.282CS..EExtended strand (participates in β ladder)trans-112.2134.6170.4-178.274.7000107.8M326 I327 I358 S359 S360 F410L321-M326 WeakPolarHBondContact CA-O 3.41Å; L321-I327 HydrophobicContact CD1-CD1 4.1Å; L321-I327 HydrophobicContact CD1-CG1 3.39Å; L321-I358 CarbonylContact O-C 3.58Å; L321-I358 WeakPolarHBondContact O-CA 3.16Å; L321-S359 PolarHBondContact O-N 3.33Å; L321-S359 PolarHBondContact O-OG 2.79Å; L321-S359 VanDerWaalsContact O-OG 3.1Å; L321-S360 PolarHBondContact N-O 3.22Å; L321-S360 PolarHBondContact O-N 2.92Å; L321-F410 HydrophobicContact CB-CE1 4.43Å
322N93.8Very high88.8Confident10 Ų1056 Ų565%0.05329%0.293CS..EExtended strand (participates in β ladder)trans-102.3172.5173.573.410.6000112.1L324 G325 M326 F355 V356 N357 S359N322-L324 PolarHBondContact O-N 2.78Å; N322-L324 VanDerWaalsContact O-N 3.12Å; N322-L324 WeakPolarHBondContact OD1-CA 3.08Å; N322-L324 WeakPolarHBondContact OD1-CB 3.34Å; N322-L324 PolarHBondContact OD1-N 2.85Å; N322-G325 PolarHBondContact O-N 2.78Å; N322-G325 PolarHBondContact OD1-N 2.83Å; N322-M326 PolarHBondContact N-O 3.22Å; N322-M326 WeakPolarHBondContact ND2-CE 3.31Å; N322-M326 WeakPolarHBondContact OD1-CB 3.43Å; N322-M326 PolarHBondContact OD1-N 2.67Å; N322-F355 HydrophobicContact CB-CE1 3.8Å; N322-F355 HydrophobicContact CB-CE2 4.45Å; N322-F355 HydrophobicContact CB-CZ 3.71Å; N322-V356 WeakPolarHBondContact CB-O 3.06Å; N322-N357 VanDerWaalsContact CA-O 3.3Å; N322-N357 WeakPolarHBondContact CA-O 3.46Å; N322-N357 WeakPolarHBondContact CB-O 3.43Å; N322-S359 PolarHBondContact O-OG 2.99Å
323Q91.8Very high89.3Confident145 Ų14552.3 Ų52.368%0.67828%0.276SS*.THydrogen-bonded Turntrans-60.9-19179.4-70.2173.7-13.200114.4G325 N357Q323-G325 VanDerWaalsContact C-N 3.31Å; Q323-N357 HydrophobicContact CG-CB 4.45Å; Q323-N357 PolarHBondContact N-O 3.22Å
324L93.7Very high89.1Confident147 Ų14752.8 Ų52.877%0.7728%0.276SS*.THydrogen-bonded Turntrans-87.60.8176.3-60.5175.1000112.8N322 M326N322-L324 PolarHBondContact O-N 2.78Å; N322-L324 VanDerWaalsContact O-N 3.12Å; N322-L324 WeakPolarHBondContact OD1-CA 3.08Å; N322-L324 WeakPolarHBondContact OD1-CB 3.34Å; N322-L324 PolarHBondContact OD1-N 2.85Å; L324-M326 VanDerWaalsContact C-N 3.3Å; L324-M326 HydrophobicContact CB-CG 4.39Å; L324-M326 HydrophobicContact CD1-CE 4.44Å; L324-M326 PolarHBondContact O-N 3.12Å
325G91.7Very high88Confident51 Ų5157.4 Ų57.453%0.52630%0.295SS..SBendtrans79.87.6-177.600000114.4N322 Q323N322-G325 PolarHBondContact O-N 2.78Å; N322-G325 PolarHBondContact OD1-N 2.83Å; Q323-G325 VanDerWaalsContact C-N 3.31Å
326M93.3Very high86.6Confident108 Ų10862 Ų6253%0.53232%0.317SS..  trans-76.3139.9175-56.3-164.8-64.700110L321 N322 L324 F355L321-M326 WeakPolarHBondContact CA-O 3.41Å; N322-M326 PolarHBondContact N-O 3.22Å; N322-M326 WeakPolarHBondContact ND2-CE 3.31Å; N322-M326 WeakPolarHBondContact OD1-CB 3.43Å; N322-M326 PolarHBondContact OD1-N 2.67Å; L324-M326 VanDerWaalsContact C-N 3.3Å; L324-M326 HydrophobicContact CB-CG 4.39Å; L324-M326 HydrophobicContact CD1-CE 4.44Å; L324-M326 PolarHBondContact O-N 3.12Å; M326-F355 WeakPolarHBondContact O-CZ 3.28Å
327I94.1Very high85Confident92 Ų9266.3 Ų66.347%0.47234%0.336SS..EExtended strand (participates in β ladder)trans-113.5134.6177.1-63.7173.4000108.9K319 L320 L321K319-I327 HydrophobicContact CB-CG2 4.21Å; K319-I327 HydrophobicContact CD-CG2 3.78Å; K319-I327 HydrophobicContact CG-CG2 4.02Å; L320-I327 CarbonylContact O-C 3.58Å; L320-I327 VanDerWaalsContact O-CA 3.28Å; L320-I327 WeakPolarHBondContact O-CA 3.49Å; L321-I327 HydrophobicContact CD1-CD1 4.1Å; L321-I327 HydrophobicContact CD1-CG1 3.39Å
328E94Very high83.2Confident24 Ų2466.9 Ų66.911%0.11234%0.338CS..EExtended strand (participates in β ladder)trans-129.3133.5170.4-160.9174.5174.200111.1L320 F351 Y352 N353 F355L320-E328 PolarHBondContact N-O 3.29Å; L320-E328 PolarHBondContact O-N 3.05Å; E328-F351 HydrophobicContact CB-CD1 4.15Å; E328-F351 HydrophobicContact CB-CE1 4.33Å; E328-F351 HydrophobicContact CG-CD1 3.77Å; E328-F351 HydrophobicContact CG-CE1 4.35Å; E328-Y352 PolarHBondContact OE1-N 3.34Å; E328-N353 PolarHBondContact OE1-N 2.88Å; E328-N353 VanDerWaalsContact OE1-N 3.15Å; E328-N353 PolarHBondContact OE1-ND2 3.24Å; E328-N353 VanDerWaalsContact OE1-ND2 3.13Å; E328-N353 WeakPolarHBondContact OE2-CB 3.44Å; E328-F355 HydrophobicContact CB-CD2 3.65Å; E328-F355 HydrophobicContact CB-CE2 3.62Å; E328-F355 HydrophobicContact CB-CG 4.39Å; E328-F355 HydrophobicContact CB-CZ 4.36Å; E328-F355 WeakPolarHBondContact OE2-CD2 3.27Å
329E93.4Very high81.3Confident145 Ų14567.5 Ų67.568%0.67834%0.341SS*.  trans-98.4129.8175.6-64.8-172.4164.900110.1K319K319-E329 HydrophobicContact CB-CG 3.97Å
330P92.7Very high79Confident18 Ų1872 Ų7212%0.11736%0.358CS..  trans-76.2151.6176.628.9-31.5000112.2F318 L332 A349 Q350 F351F318-P330 HydrophobicContact CD1-CG 4.17Å; F318-P330 HydrophobicContact CD2-CG 4.39Å; F318-P330 HydrophobicContact CE1-CG 3.86Å; F318-P330 HydrophobicContact CE2-CG 4.08Å; F318-P330 HydrophobicContact CG-CG 4.45Å; F318-P330 HydrophobicContact CZ-CB 4.35Å; F318-P330 HydrophobicContact CZ-CG 3.82Å; F318-P330 WeakPolarHBondContact O-CD 3.33Å; F318-P330 WeakPolarHBondContact O-CG 3.48Å; P330-L332 HydrophobicContact CB-CD2 3.91Å; P330-L332 HydrophobicContact CG-CD2 3.51Å; P330-L332 HydrophobicContact CG-CG 4.13Å; P330-L332 PolarHBondContact O-N 3.49Å; P330-A349 HydrophobicContact CB-CB 3.73Å; P330-A349 HydrophobicContact CG-CB 4.34Å; P330-Q350 CarbonylContact C-O 3.47Å; P330-Q350 WeakPolarHBondContact CA-O 3.46Å; P330-F351 HydrophobicContact CB-CD1 4.34Å; P330-F351 HydrophobicContact CB-CD2 4.37Å; P330-F351 HydrophobicContact CB-CE1 3.78Å; P330-F351 HydrophobicContact CB-CE2 3.81Å; P330-F351 HydrophobicContact CB-CZ 3.48Å; P330-F351 VanDerWaalsContact CB-CZ 3.48Å; P330-F351 HydrophobicContact CG-CE1 4.23Å; P330-F351 HydrophobicContact CG-CZ 3.89Å
331R89.8Confident76.7Confident99 Ų9979.7 Ų79.737%0.37439%0.392SS..EExtended strand (participates in β ladder)trans-76.3112.2153.3-174.3-175.1-174.6-157.80.2109D288 Y333 Q350D288-R331 IonicContact OD2-CZ 3.69Å; D288-R331 IonicContact OD2-NH1 2.7Å; D288-R331 PolarHBondContact OD2-NH1 3.14Å; D288-R331 IonicContact OD2-NH2 3.57Å; R331-Y333 WeakPolarHBondContact O-CE2 3.36Å; R331-Q350 HydrophobicContact CB-CB 4.34Å; R331-Q350 PolarHBondContact N-O 2.79Å; R331-Q350 PolarHBondContact O-N 2.85Å
332L82.2Confident74.8Confident47 Ų4781.8 Ų81.825%0.24640%0.403CS..EExtended strand (participates in β ladder)trans-85.6144179.7-58.7179.3000112.2F318 P330 E334 I347 A349F318-L332 HydrophobicContact CD1-CD2 3.91Å; F318-L332 HydrophobicContact CE1-CD2 3.5Å; F318-L332 HydrophobicContact CZ-CD2 4.43Å; P330-L332 HydrophobicContact CB-CD2 3.91Å; P330-L332 HydrophobicContact CG-CD2 3.51Å; P330-L332 HydrophobicContact CG-CG 4.13Å; P330-L332 PolarHBondContact O-N 3.49Å; L332-E334 HydrophobicContact CB-CG 4.28Å; L332-I347 HydrophobicContact CD2-CG2 3.96Å; L332-A349 HydrophobicContact CD2-CB 3.98Å
333Y75.2Confident73.6Confident1 Ų189.9 Ų89.90%0.00444%0.44CS..EExtended strand (participates in β ladder)trans-109.596.2173.4-63.2-114.8000106.2Y242 K243 S245 D288 Y299 R331 L348 Q350Y242-Y333 HydrophobicContact CD1-CE1 4.32Å; Y242-Y333 HydrophobicContact CE1-CD1 4.2Å; Y242-Y333 AromaticContact CE1-CE1 3.56Å; Y242-Y333 HydrophobicContact CE1-CE1 3.56Å; Y242-Y333 HydrophobicContact CE2-CD1 4.4Å; Y242-Y333 HydrophobicContact CE2-CE1 4.15Å; Y242-Y333 AromaticContact CZ-CE1 3.45Å; Y242-Y333 VanDerWaalsContact CZ-CE1 3.45Å; Y242-Y333 WeakPolarHBondContact OH-CE1 3.38Å; Y242-Y333 PolarHBondContact OH-OH 2.93Å; K243-Y333 HydrophobicContact CD-CD1 3.91Å; K243-Y333 HydrophobicContact CD-CE1 3.73Å; K243-Y333 CarbonylContact O-C 3.6Å; K243-Y333 WeakPolarHBondContact O-CA 3.49Å; S245-Y333 WeakPolarHBondContact CB-O 3.36Å; S245-Y333 PolarHBondContact OG-O 2.84Å; D288-Y333 WeakPolarHBondContact CB-OH 3.38Å; D288-Y333 VanDerWaalsContact CG-OH 3.26Å; D288-Y333 WeakPolarHBondContact OD2-CE1 3.43Å; D288-Y333 PolarHBondContact OD2-OH 3.45Å; Y299-Y333 HydrophobicContact CE1-CE2 4.28Å; R331-Y333 WeakPolarHBondContact O-CE2 3.36Å; Y333-L348 HydrophobicContact CD1-CD2 4.44Å; Y333-L348 HydrophobicContact CD2-CD2 4.41Å; Y333-L348 HydrophobicContact CD2-CG 4.28Å; Y333-L348 WeakPolarHBondContact CD2-O 3.09Å; Y333-L348 HydrophobicContact CG-CD2 4.26Å; Y333-L348 HydrophobicContact CG-CG 4.48Å; Y333-L348 PolarHBondContact N-O 3.07Å; Y333-Q350 HydrophobicContact CE2-CB 3.58Å; Y333-Q350 VanDerWaalsContact OH-CD 3.31Å; Y333-Q350 PolarHBondContact OH-NE2 3.48Å; Y333-Q350 PolarHBondContact OH-OE1 3Å; Y333-Q350 VanDerWaalsContact OH-OE1 3.07Å
334E68.9Low73.1Confident69 Ų6986.5 Ų86.532%0.32243%0.425SS..  trans-109.4147.6-172.3-77.9-165.814400113.9T244 F316 L332T244-E334 WeakPolarHBondContact CA-O 3.42Å; F316-E334 VanDerWaalsContact O-OE1 3.12Å; L332-E334 HydrophobicContact CB-CG 4.28Å
335K56.8Low72.5Confident100 Ų10080.1 Ų80.144%0.43539%0.392SS..  trans-119.9127.5154-167.2168.9173.5163.20108.5T244 L246 K337T244-K335 VanDerWaalsContact O-CB 3.29Å; T244-K335 WeakPolarHBondContact O-CB 3.39Å; L246-K335 HydrophobicContact CD1-CD 4.46Å; L246-K335 HydrophobicContact CD2-CD 4.02Å; L246-K335 HydrophobicContact CG-CD 4.36Å; K335-K337 HydrophobicContact CD-CD 4.21Å; K335-K337 HydrophobicContact CD-CG 3.79Å; K335-K337 HydrophobicContact CG-CG 3.97Å; K335-K337 PolarHBondContact O-N 2.97Å
336N51.5Low72.1Confident129 Ų12980.9 Ų80.969%0.6938%0.38SS*.  trans-66.569.7163.4-59.9-1.9000109.4
337K53.5Low71.8Confident91 Ų9176 Ų7640%0.39636%0.357SS..  trans-92.2134.7164.6-87.2-169-178.1179.10107.7K335 F339K335-K337 HydrophobicContact CD-CD 4.21Å; K335-K337 HydrophobicContact CD-CG 3.79Å; K335-K337 HydrophobicContact CG-CG 3.97Å; K335-K337 PolarHBondContact O-N 2.97Å; K337-F339 PolarHBondContact O-N 2.95Å
338P51.1Low71.6Confident54 Ų5471.7 Ų71.735%0.35133%0.334SS..  trans-67.1128.8178.129.6-35.4000110M312 Y340M312-P338 CarbonylContact O-C 3.51Å; M312-P338 WeakPolarHBondContact O-CA 3.27Å; M312-P338 WeakPolarHBondContact O-CB 3.35Å; P338-Y340 HydrophobicContact CB-CD1 3.64Å; P338-Y340 HydrophobicContact CB-CE1 3.48Å; P338-Y340 VanDerWaalsContact CB-CE1 3.48Å; P338-Y340 HydrophobicContact CG-CD1 4.07Å; P338-Y340 HydrophobicContact CG-CE1 3.45Å; P338-Y340 VanDerWaalsContact CG-CE1 3.45Å; P338-Y340 PolarHBondContact O-N 2.98Å
339F53.1Low71.4Confident22 Ų2270.5 Ų70.510%0.09633%0.329CS..G310 helixtrans-71.4-13.2-163.7-51.8-80.5000113.9M311 M312 G314 F316 K337 K341 L342 V345 Y365M311-F339 HydrophobicContact CB-CD2 4.47Å; M311-F339 VanDerWaalsContact O-CB 3.27Å; M311-F339 WeakPolarHBondContact O-CB 3.29Å; M311-F339 VanDerWaalsContact O-CD2 3.3Å; M311-F339 WeakPolarHBondContact O-CD2 3.44Å; M312-F339 PolarHBondContact O-N 3.41Å; M312-F339 VanDerWaalsContact O-N 3.11Å; G314-F339 VanDerWaalsContact C-CE2 3.48Å; G314-F339 WeakPolarHBondContact O-CE2 3.38Å; G314-F339 WeakPolarHBondContact O-CZ 3.17Å; F316-F339 HydrophobicContact CD2-CE1 4.22Å; F316-F339 HydrophobicContact CD2-CZ 4.01Å; F316-F339 HydrophobicContact CE2-CE1 4.08Å; F316-F339 AromaticContact CE2-CZ 3.99Å; F316-F339 HydrophobicContact CE2-CZ 3.99Å; K337-F339 PolarHBondContact O-N 2.95Å; F339-K341 PolarHBondContact O-N 2.81Å; F339-L342 PolarHBondContact O-N 3.06Å; F339-V345 HydrophobicContact CD1-CB 4.38Å; F339-V345 HydrophobicContact CD1-CG1 4.08Å; F339-V345 HydrophobicContact CD1-CG2 3.38Å; F339-V345 HydrophobicContact CE1-CB 4.46Å; F339-V345 HydrophobicContact CE1-CG1 3.74Å; F339-V345 HydrophobicContact CE1-CG2 3.87Å; F339-V345 HydrophobicContact CG-CG2 4.34Å; F339-Y365 AromaticContact CE2-CE2 3.77Å; F339-Y365 HydrophobicContact CE2-CE2 3.77Å; F339-Y365 HydrophobicContact CZ-CE2 4.31Å
340Y46.7Very low71.4Confident126 Ų12663.8 Ų63.849%0.49430%0.297SS..G310 helixtrans-61.9-16.6-177.172.8-93.2000116M312 P338M312-Y340 HydrophobicContact CE-CD1 3.46Å; M312-Y340 VanDerWaalsContact CE-CD1 3.46Å; M312-Y340 HydrophobicContact CE-CE1 4.07Å; M312-Y340 HydrophobicContact CE-CG 3.9Å; M312-Y340 VanDerWaalsContact SD-CB 3.59Å; M312-Y340 HydrophobicContact SD-CD1 3.93Å; M312-Y340 HydrophobicContact SD-CG 4.07Å; P338-Y340 HydrophobicContact CB-CD1 3.64Å; P338-Y340 HydrophobicContact CB-CE1 3.48Å; P338-Y340 VanDerWaalsContact CB-CE1 3.48Å; P338-Y340 HydrophobicContact CG-CD1 4.07Å; P338-Y340 HydrophobicContact CG-CE1 3.45Å; P338-Y340 VanDerWaalsContact CG-CE1 3.45Å; P338-Y340 PolarHBondContact O-N 2.98Å
341K48.1Very low71.5Confident160 Ų16063 Ų6370%0.69629%0.292SS*.G310 helixtrans-93.7-7.6176.1-66.9-165177.1-179.80113.9F339F339-K341 PolarHBondContact O-N 2.81Å
342L56.2Low71.6Confident80 Ų8064.4 Ų64.442%0.41930%0.298SS..  trans-121.7114.7-171-66.7171.1000109.5F339 E344F339-L342 PolarHBondContact O-N 3.06Å; L342-E344 PolarHBondContact O-N 3.31Å
343Q68.6Low71.9Confident179 Ų17967 Ų6784%0.83631%0.313SS*.SBendtrans-62.7-22.2170.3-74.8175.6-15.900112I305I305-Q343 WeakPolarHBondContact CG2-O 3.31Å
344E80.1Confident72.7Confident75 Ų7569.3 Ų69.335%0.3533%0.325SS..EExtended strand (participates in β ladder)trans-138.4130.6-179.1-176.2-173.6-152.900110.5S303 I305 L342 K346S303-E344 WeakPolarHBondContact CB-OE1 3.28Å; I305-E344 HydrophobicContact CG1-CB 4.48Å; I305-E344 HydrophobicContact CG1-CG 4.34Å; L342-E344 PolarHBondContact O-N 3.31Å; E344-K346 VanDerWaalsContact CD-CE 3.43Å; E344-K346 HydrophobicContact CG-CG 4.27Å; E344-K346 WeakPolarHBondContact OE2-CE 3.17Å; E344-K346 IonicContact OE2-NZ 3.85Å
345V81.6Confident73.7Confident13 Ų1366.6 Ų66.68%0.07931%0.312CS..EExtended strand (participates in β ladder)trans-101.2127.4173.4-174.60000108.2S303 I304 V306 F339 I347S303-V345 CarbonylContact C-O 3.51Å; S303-V345 VanDerWaalsContact CA-O 3.28Å; S303-V345 WeakPolarHBondContact CA-O 3.44Å; I304-V345 HydrophobicContact CB-CB 4.34Å; I304-V345 PolarHBondContact N-O 2.99Å; I304-V345 PolarHBondContact O-N 3.41Å; V306-V345 HydrophobicContact CG2-CG2 4.34Å; F339-V345 HydrophobicContact CD1-CB 4.38Å; F339-V345 HydrophobicContact CD1-CG1 4.08Å; F339-V345 HydrophobicContact CD1-CG2 3.38Å; F339-V345 HydrophobicContact CE1-CB 4.46Å; F339-V345 HydrophobicContact CE1-CG1 3.74Å; F339-V345 HydrophobicContact CE1-CG2 3.87Å; F339-V345 HydrophobicContact CG-CG2 4.34Å; V345-I347 HydrophobicContact CG1-CG1 4.17Å
346K84.4Confident75.3Confident66 Ų6664.6 Ų64.629%0.28731%0.308SS..EExtended strand (participates in β ladder)trans-117.2125.7175.1-65.4-175.3-175.9179.70110V248 V301 L302 E344V248-K346 HydrophobicContact CB-CB 4.36Å; V248-K346 HydrophobicContact CG2-CB 3.68Å; V248-K346 HydrophobicContact CG2-CD 3.63Å; V248-K346 HydrophobicContact CG2-CG 4.31Å; V301-K346 HydrophobicContact CG2-CB 4.09Å; L302-K346 CarbonylContact O-C 3.52Å; L302-K346 WeakPolarHBondContact O-CA 3.46Å; E344-K346 VanDerWaalsContact CD-CE 3.43Å; E344-K346 HydrophobicContact CG-CG 4.27Å; E344-K346 WeakPolarHBondContact OE2-CE 3.17Å; E344-K346 IonicContact OE2-NZ 3.85Å
347I85.9Confident77.2Confident7 Ų763.6 Ų63.64%0.03630%0.303CS..EExtended strand (participates in β ladder)trans-117.1117.4-179.3-54174.1000108.1V301 L302 I304 F316 L332 V345V301-I347 WeakPolarHBondContact CA-O 3.38Å; L302-I347 HydrophobicContact CB-CB 4.35Å; L302-I347 PolarHBondContact N-O 3.31Å; L302-I347 PolarHBondContact O-N 3.1Å; I304-I347 HydrophobicContact CD1-CD1 4.33Å; F316-I347 HydrophobicContact CB-CD1 3.68Å; F316-I347 HydrophobicContact CD2-CD1 4.27Å; F316-I347 HydrophobicContact CG-CD1 4.32Å; L332-I347 HydrophobicContact CD2-CG2 3.96Å; V345-I347 HydrophobicContact CG1-CG1 4.17Å
348L89.1Confident79.2Confident0 Ų060.5 Ų60.50%029%0.29CS..EExtended strand (participates in β ladder)trans-78.4127.4169.7-175.568.1000109.5F234 Y242 S245 V248 Y299 Y333 L388F234-L348 HydrophobicContact CD2-CD2 4.35Å; F234-L348 HydrophobicContact CE1-CD1 4.46Å; F234-L348 HydrophobicContact CE2-CD1 4.33Å; F234-L348 HydrophobicContact CE2-CD2 4.33Å; F234-L348 HydrophobicContact CZ-CD1 4.04Å; Y242-L348 HydrophobicContact CD2-CD2 4.39Å; Y242-L348 HydrophobicContact CE2-CD2 3.87Å; S245-L348 WeakPolarHBondContact OG-CB 3.41Å; S245-L348 PolarHBondContact OG-N 2.93Å; V248-L348 HydrophobicContact CG1-CB 4.05Å; Y299-L348 HydrophobicContact CD1-CD1 3.83Å; Y299-L348 HydrophobicContact CD1-CD2 4.26Å; Y299-L348 HydrophobicContact CD1-CG 4.05Å; Y299-L348 HydrophobicContact CE1-CD2 4.34Å; Y333-L348 HydrophobicContact CD1-CD2 4.44Å; Y333-L348 HydrophobicContact CD2-CD2 4.41Å; Y333-L348 HydrophobicContact CD2-CG 4.28Å; Y333-L348 WeakPolarHBondContact CD2-O 3.09Å; Y333-L348 HydrophobicContact CG-CD2 4.26Å; Y333-L348 HydrophobicContact CG-CG 4.48Å; Y333-L348 PolarHBondContact N-O 3.07Å; L348-L388 HydrophobicContact CD1-CD1 3.48Å; L348-L388 VanDerWaalsContact CD1-CD1 3.48Å
349A91.4Very high81.3Confident0 Ų059.6 Ų59.60%029%0.285CS..EExtended strand (participates in β ladder)trans-124.3133.2-178.600000110.1Y299 F300 F318 P330 L332 F351Y299-A349 WeakPolarHBondContact CA-O 3.46Å; F300-A349 PolarHBondContact N-O 3.13Å; F300-A349 PolarHBondContact O-N 3.21Å; F318-A349 HydrophobicContact CE1-CB 3.72Å; F318-A349 HydrophobicContact CZ-CB 3.42Å; F318-A349 VanDerWaalsContact CZ-CB 3.42Å; P330-A349 HydrophobicContact CB-CB 3.73Å; P330-A349 HydrophobicContact CG-CB 4.34Å; L332-A349 HydrophobicContact CD2-CB 3.98Å; A349-F351 HydrophobicContact CB-CE2 4.03Å
350Q93.2Very high83.3Confident3 Ų359.1 Ų59.11%0.01428%0.284CS..EExtended strand (participates in β ladder)trans-111.1134.6175.2173.2177.372.600110.7D288 T297 Y298 Y299 P330 R331 Y333D288-Q350 PolarHBondContact O-NE2 2.61Å; T297-Q350 VanDerWaalsContact CB-NE2 3.3Å; T297-Q350 HydrophobicContact CG2-CG 4.33Å; T297-Q350 PolarHBondContact OG1-NE2 3.49Å; Y298-Q350 CarbonylContact O-C 3.57Å; Y298-Q350 WeakPolarHBondContact O-CA 3.41Å; Y299-Q350 HydrophobicContact CD1-CB 4.21Å; Y299-Q350 HydrophobicContact CE1-CB 3.95Å; Y299-Q350 HydrophobicContact CE1-CG 4.35Å; Y299-Q350 VanDerWaalsContact CZ-NE2 3.34Å; Y299-Q350 PolarHBondContact OH-NE2 3.07Å; P330-Q350 CarbonylContact C-O 3.47Å; P330-Q350 WeakPolarHBondContact CA-O 3.46Å; R331-Q350 HydrophobicContact CB-CB 4.34Å; R331-Q350 PolarHBondContact N-O 2.79Å; R331-Q350 PolarHBondContact O-N 2.85Å; Y333-Q350 HydrophobicContact CE2-CB 3.58Å; Y333-Q350 VanDerWaalsContact OH-CD 3.31Å; Y333-Q350 PolarHBondContact OH-NE2 3.48Å; Y333-Q350 PolarHBondContact OH-OE1 3Å; Y333-Q350 VanDerWaalsContact OH-OE1 3.07Å
351F93.7Very high85.7Confident1 Ų153.1 Ų53.10%0.00426%0.261CS..EExtended strand (participates in β ladder)trans-116.5152.2172.6-63.5-93.4000109.9Y298 F300 F318 L320 E328 P330 A349 N353Y298-F351 PolarHBondContact N-O 2.92Å; Y298-F351 PolarHBondContact O-N 3.21Å; F300-F351 HydrophobicContact CB-CE2 4.31Å; F300-F351 AromaticContact CD2-CD2 3.62Å; F300-F351 HydrophobicContact CD2-CD2 3.62Å; F300-F351 AromaticContact CD2-CE2 3.78Å; F300-F351 HydrophobicContact CD2-CE2 3.78Å; F300-F351 HydrophobicContact CE2-CD2 4.12Å; F300-F351 HydrophobicContact CE2-CE2 4.46Å; F300-F351 HydrophobicContact CG-CE2 4.28Å; F318-F351 HydrophobicContact CE2-CE2 4.48Å; F318-F351 AromaticContact CE2-CZ 3.93Å; F318-F351 HydrophobicContact CE2-CZ 3.93Å; F318-F351 HydrophobicContact CZ-CE2 4.44Å; F318-F351 HydrophobicContact CZ-CZ 4.22Å; L320-F351 HydrophobicContact CD1-CE1 3.77Å; L320-F351 HydrophobicContact CD1-CE2 3.87Å; L320-F351 HydrophobicContact CD1-CZ 3.31Å; L320-F351 HydrophobicContact CG-CE1 4.02Å; L320-F351 HydrophobicContact CG-CZ 3.69Å; E328-F351 HydrophobicContact CB-CD1 4.15Å; E328-F351 HydrophobicContact CB-CE1 4.33Å; E328-F351 HydrophobicContact CG-CD1 3.77Å; E328-F351 HydrophobicContact CG-CE1 4.35Å; P330-F351 HydrophobicContact CB-CD1 4.34Å; P330-F351 HydrophobicContact CB-CD2 4.37Å; P330-F351 HydrophobicContact CB-CE1 3.78Å; P330-F351 HydrophobicContact CB-CE2 3.81Å; P330-F351 HydrophobicContact CB-CZ 3.48Å; P330-F351 VanDerWaalsContact CB-CZ 3.48Å; P330-F351 HydrophobicContact CG-CE1 4.23Å; P330-F351 HydrophobicContact CG-CZ 3.89Å; A349-F351 HydrophobicContact CB-CE2 4.03Å; F351-N353 WeakPolarHBondContact CB-O 3.12Å
352Y91.4Very high87.9Confident129 Ų12945.5 Ų45.551%0.50623%0.228SC..SBendtrans-89.1-23.1175.2-70-61.9000111.9T297 Y298 E328T297-Y352 HydrophobicContact CG2-CD1 4.29Å; T297-Y352 HydrophobicContact CG2-CE1 4.45Å; Y298-Y352 WeakPolarHBondContact CE2-O 3.41Å; E328-Y352 PolarHBondContact OE1-N 3.34Å
353N90.5Very high89.7Confident103 Ų10341.7 Ų41.755%0.55121%0.208SC*.SBendtrans-110.4154.8174.7-51.6-75.7000111.2Y298 E328 F351 F355Y298-N353 WeakPolarHBondContact CD2-O 3.39Å; Y298-N353 VanDerWaalsContact CE2-C 3.4Å; E328-N353 PolarHBondContact OE1-N 2.88Å; E328-N353 VanDerWaalsContact OE1-N 3.15Å; E328-N353 PolarHBondContact OE1-ND2 3.24Å; E328-N353 VanDerWaalsContact OE1-ND2 3.13Å; E328-N353 WeakPolarHBondContact OE2-CB 3.44Å; F351-N353 WeakPolarHBondContact CB-O 3.12Å; N353-F355 VanDerWaalsContact C-N 3.32Å; N353-F355 PolarHBondContact O-N 2.61Å
354D91.1Very high90.8Very high49 Ų4933.5 Ų33.526%0.26217%0.17SC..  trans-76.288.2174.2-168.76.9000109.4Y298 V356 Y390 R393Y298-D354 HydrophobicContact CD1-CB 3.86Å; Y298-D354 HydrophobicContact CD2-CB 4.31Å; Y298-D354 HydrophobicContact CE1-CB 3.55Å; Y298-D354 HydrophobicContact CE2-CB 4.02Å; Y298-D354 VanDerWaalsContact CE2-N 3.25Å; Y298-D354 HydrophobicContact CG-CB 4.22Å; D354-V356 PolarHBondContact O-N 2.62Å; D354-V356 VanDerWaalsContact O-N 3.16Å; D354-Y390 VanDerWaalsContact OD2-CE2 3.23Å; D354-Y390 WeakPolarHBondContact OD2-CE2 3.18Å; D354-R393 IonicContact OD1-CZ 2.86Å; D354-R393 VanDerWaalsContact OD1-CZ 3.24Å; D354-R393 IonicContact OD1-NH1 3.53Å; D354-R393 PolarHBondContact OD1-NH1 3.22Å; D354-R393 IonicContact OD1-NH2 2.83Å; D354-R393 PolarHBondContact OD1-NH2 3.1Å; D354-R393 IonicContact OD2-CZ 3.25Å; D354-R393 IonicContact OD2-NH1 3.79Å; D354-R393 IonicContact OD2-NH2 2.77Å; D354-R393 PolarHBondContact OD2-NH2 3.28Å
355F90.2Very high91.2Very high11 Ų1130 Ų305%0.04815%0.154CC..  trans-78.4104.4-173.8-153.1-97.5000111.1L320 N322 M326 E328 N353 I358L320-F355 HydrophobicContact CB-CD1 3.45Å; L320-F355 VanDerWaalsContact CB-CD1 3.45Å; L320-F355 HydrophobicContact CB-CE1 3.27Å; L320-F355 HydrophobicContact CB-CG 4.37Å; L320-F355 HydrophobicContact CB-CZ 4.07Å; L320-F355 HydrophobicContact CD1-CB 4.48Å; L320-F355 HydrophobicContact CD1-CD1 3.82Å; L320-F355 HydrophobicContact CD1-CG 4.44Å; L320-F355 HydrophobicContact CG-CD1 4.3Å; L320-F355 VanDerWaalsContact O-CZ 3.28Å; L320-F355 WeakPolarHBondContact O-CZ 3.43Å; N322-F355 HydrophobicContact CB-CE1 3.8Å; N322-F355 HydrophobicContact CB-CE2 4.45Å; N322-F355 HydrophobicContact CB-CZ 3.71Å; M326-F355 WeakPolarHBondContact O-CZ 3.28Å; E328-F355 HydrophobicContact CB-CD2 3.65Å; E328-F355 HydrophobicContact CB-CE2 3.62Å; E328-F355 HydrophobicContact CB-CG 4.39Å; E328-F355 HydrophobicContact CB-CZ 4.36Å; E328-F355 WeakPolarHBondContact OE2-CD2 3.27Å; N353-F355 VanDerWaalsContact C-N 3.32Å; N353-F355 PolarHBondContact O-N 2.61Å; F355-I358 HydrophobicContact CD1-CD1 4.46Å; F355-I358 HydrophobicContact CD1-CG1 3.77Å; F355-I358 HydrophobicContact CE1-CG1 4.12Å
356V90.4Very high91.3Very high58 Ų5833.1 Ų33.135%0.35217%0.166SC..  trans-111.1169.4-177.5-63.60000111.8N322 D354 I358N322-V356 WeakPolarHBondContact CB-O 3.06Å; D354-V356 PolarHBondContact O-N 2.62Å; D354-V356 VanDerWaalsContact O-N 3.16Å; V356-I358 VanDerWaalsContact C-N 3.29Å; V356-I358 PolarHBondContact O-N 2.71Å
357N91.6Very high91.3Very high109 Ų10930.4 Ų30.458%0.58316%0.155SC*.SBendtrans52.446.1176.4-58.3-19.4000112.9N322 Q323 S359N322-N357 VanDerWaalsContact CA-O 3.3Å; N322-N357 WeakPolarHBondContact CA-O 3.46Å; N322-N357 WeakPolarHBondContact CB-O 3.43Å; Q323-N357 HydrophobicContact CG-CB 4.45Å; Q323-N357 PolarHBondContact N-O 3.22Å; N357-S359 PolarHBondContact O-N 3.45Å
358I94.6Very high90.9Very high25 Ų2533.2 Ų33.213%0.12818%0.175CC..EExtended strand (participates in β ladder)trans-62.8119-179.7-60.9162.5000108.7F300 L320 L321 F355 V356 I361 L385 L396F300-I358 HydrophobicContact CE1-CD1 4.29Å; L320-I358 HydrophobicContact CD1-CD1 3.86Å; L320-I358 HydrophobicContact CD1-CG1 4.38Å; L320-I358 HydrophobicContact CD2-CD1 4.48Å; L320-I358 HydrophobicContact CD2-CG2 4.32Å; L321-I358 CarbonylContact O-C 3.58Å; L321-I358 WeakPolarHBondContact O-CA 3.16Å; F355-I358 HydrophobicContact CD1-CD1 4.46Å; F355-I358 HydrophobicContact CD1-CG1 3.77Å; F355-I358 HydrophobicContact CE1-CG1 4.12Å; V356-I358 VanDerWaalsContact C-N 3.29Å; V356-I358 PolarHBondContact O-N 2.71Å; I358-I361 HydrophobicContact CG2-CG1 4.25Å; I358-L385 HydrophobicContact CD1-CD2 3.76Å; I358-L396 HydrophobicContact CB-CD1 3.72Å; I358-L396 HydrophobicContact CD1-CD1 3.94Å; I358-L396 HydrophobicContact CG1-CD1 4.4Å; I358-L396 HydrophobicContact CG2-CD1 4Å
359S95.1Very high90Very high35 Ų3537 Ų3725%0.24520%0.202CC..EExtended strand (participates in β ladder)trans-92.1-38176.955.50000111.6L321 N322 N357L321-S359 PolarHBondContact O-N 3.33Å; L321-S359 PolarHBondContact O-OG 2.79Å; L321-S359 VanDerWaalsContact O-OG 3.1Å; N322-S359 PolarHBondContact O-OG 2.99Å; N357-S359 PolarHBondContact O-N 3.45Å
360S95.4Very high88.7Confident12 Ų1240.6 Ų40.68%0.08422%0.221CC..EExtended strand (participates in β ladder)trans-146152.8-178.8-490000112.4L321 L411 N412L321-S360 PolarHBondContact N-O 3.22Å; L321-S360 PolarHBondContact O-N 2.92Å; S360-L411 CarbonylContact C-O 3.53Å; S360-L411 WeakPolarHBondContact CA-O 3.49Å; S360-L411 WeakPolarHBondContact CB-O 3.35Å; S360-N412 PolarHBondContact OG-OD1 3.4Å
361I96.4Very high87.1Confident1 Ų146.9 Ų46.91%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-113.8110.1172.1-57.4172.6000106.8F318 L320 I358 L383 L385 L411 P413F318-I361 HydrophobicContact CB-CG2 4.38Å; F318-I361 HydrophobicContact CD2-CG2 4.23Å; L320-I361 HydrophobicContact CD2-CG1 3.96Å; L320-I361 HydrophobicContact CD2-CG2 4.34Å; I358-I361 HydrophobicContact CG2-CG1 4.25Å; I361-L383 HydrophobicContact CD1-CD2 3.78Å; I361-L385 HydrophobicContact CD1-CB 3.96Å; I361-L385 HydrophobicContact CD1-CD2 3.93Å; I361-L385 HydrophobicContact CG1-CD2 4.39Å; I361-L411 PolarHBondContact N-O 3.16Å; I361-L411 PolarHBondContact O-N 3.24Å; I361-P413 HydrophobicContact CD1-CB 4.18Å; I361-P413 HydrophobicContact CD1-CG 3.98Å; I361-P413 HydrophobicContact CG1-CG 4.12Å
362G95.1Very high85.3Confident0 Ų055.7 Ų55.70%030%0.295CS..EExtended strand (participates in β ladder)trans-76.2120.8169.900000108.6F318 K319 V409F318-G362 CarbonylContact C-O 3.58Å; F318-G362 WeakPolarHBondContact CA-O 3.31Å; F318-G362 VanDerWaalsContact CB-O 3.28Å; F318-G362 WeakPolarHBondContact CB-O 3.14Å; K319-G362 PolarHBondContact N-O 3.42Å; K319-G362 PolarHBondContact O-N 3.22Å; G362-V409 WeakPolarHBondContact CA-O 3.44Å
363L94.3Very high84Confident0 Ų050.6 Ų50.60%028%0.278CS..EExtended strand (participates in β ladder)trans-125.7134.1-176-175.370.9000110.1L302 F316 F318 I380 L383 L403 V409 L411L302-L363 HydrophobicContact CD2-CD1 4.26Å; F316-L363 HydrophobicContact CD1-CD1 4.03Å; F316-L363 HydrophobicContact CD1-CG 4.45Å; F318-L363 HydrophobicContact CB-CD1 3.98Å; L363-I380 HydrophobicContact CD2-CD1 3.97Å; L363-L383 HydrophobicContact CD1-CD1 4.32Å; L363-L383 HydrophobicContact CD2-CD1 3.6Å; L363-L403 HydrophobicContact CD2-CD1 3.81Å; L363-L403 HydrophobicContact CD2-CD2 4.28Å; L363-L403 HydrophobicContact CG-CD1 4.11Å; L363-V409 PolarHBondContact N-O 2.85Å; L363-V409 PolarHBondContact O-N 3.13Å; L363-L411 HydrophobicContact CB-CD1 4.15Å; L363-L411 HydrophobicContact CD2-CD1 4Å
364T90.9Very high82.7Confident7 Ų751 Ų514%0.04329%0.289CS..EExtended strand (participates in β ladder)trans-132.9140.2176.3-490000109.4F316 S317 F366 E408F316-T364 WeakPolarHBondContact CA-O 3.07Å; S317-T364 PolarHBondContact N-O 2.92Å; S317-T364 PolarHBondContact O-N 3.3Å; T364-F366 HydrophobicContact CG2-CD2 4.17Å; T364-F366 HydrophobicContact CG2-CE1 4.15Å; T364-F366 HydrophobicContact CG2-CE2 3.44Å; T364-F366 VanDerWaalsContact CG2-CE2 3.44Å; T364-F366 HydrophobicContact CG2-CZ 3.42Å; T364-F366 VanDerWaalsContact CG2-CZ 3.42Å; T364-E408 WeakPolarHBondContact OG1-CA 3.41Å; T364-E408 WeakPolarHBondContact OG1-CB 3.39Å
365Y88.1Confident81.8Confident0 Ų054.2 Ų54.20%031%0.31CS..EExtended strand (participates in β ladder)trans-117.3137.1174.1178.9-104.9000110.4M311 G314 S315 F316 F339 Q367 Y378 R406M311-Y365 WeakPolarHBondContact CA-OH 3.21Å; M311-Y365 HydrophobicContact CE-CD1 3.67Å; M311-Y365 HydrophobicContact CE-CD2 3.34Å; M311-Y365 HydrophobicContact CE-CE1 3.68Å; M311-Y365 HydrophobicContact CE-CE2 3.34Å; M311-Y365 HydrophobicContact CE-CG 3.49Å; M311-Y365 VanDerWaalsContact CE-CG 3.49Å; M311-Y365 HydrophobicContact CG-CE1 4.23Å; G314-Y365 WeakPolarHBondContact CA-OH 3.48Å; G314-Y365 PolarHBondContact N-OH 3.43Å; S315-Y365 WeakPolarHBondContact O-CD2 3.5Å; F316-Y365 AromaticContact CD1-CD2 3.8Å; F316-Y365 HydrophobicContact CD1-CD2 3.8Å; F316-Y365 HydrophobicContact CD1-CG 4.43Å; F316-Y365 HydrophobicContact CD2-CD2 4.13Å; F316-Y365 HydrophobicContact CD2-CE2 4.46Å; F316-Y365 AromaticContact CE1-CD2 3.58Å; F316-Y365 HydrophobicContact CE1-CD2 3.58Å; F316-Y365 HydrophobicContact CE1-CE2 4.45Å; F316-Y365 HydrophobicContact CE1-CG 4.13Å; F316-Y365 AromaticContact CE2-CD2 3.93Å; F316-Y365 HydrophobicContact CE2-CD2 3.93Å; F316-Y365 HydrophobicContact CE2-CE2 4.09Å; F316-Y365 HydrophobicContact CG-CD2 4.08Å; F316-Y365 AromaticContact CZ-CD2 3.68Å; F316-Y365 HydrophobicContact CZ-CD2 3.68Å; F316-Y365 HydrophobicContact CZ-CE2 4.11Å; F339-Y365 AromaticContact CE2-CE2 3.77Å; F339-Y365 HydrophobicContact CE2-CE2 3.77Å; F339-Y365 HydrophobicContact CZ-CE2 4.31Å; Y365-Q367 HydrophobicContact CE1-CB 4.07Å; Y365-Q367 PolarHBondContact OH-OE1 3Å; Y365-Y378 AromaticContact CD1-CD2 3.5Å; Y365-Y378 HydrophobicContact CD1-CD2 3.5Å; Y365-Y378 AromaticContact CD1-CE2 3.54Å; Y365-Y378 HydrophobicContact CD1-CE2 3.54Å; Y365-Y378 HydrophobicContact CD1-CG 4.01Å; Y365-Y378 HydrophobicContact CE1-CD1 4.18Å; Y365-Y378 AromaticContact CE1-CD2 3.92Å; Y365-Y378 HydrophobicContact CE1-CD2 3.92Å; Y365-Y378 HydrophobicContact CE1-CE1 4.01Å; Y365-Y378 AromaticContact CE1-CE2 3.73Å; Y365-Y378 HydrophobicContact CE1-CE2 3.73Å; Y365-Y378 HydrophobicContact CE1-CG 4.12Å; Y365-Y378 AromaticContact CE1-CZ 3.78Å; Y365-R406 PolarHBondContact O-N 3.24Å
366F85.1Confident81.4Confident79 Ų7955 Ų5535%0.34632%0.317SS..EExtended strand (participates in β ladder)trans-123.2112.9179.6-60.6-93.1000109.6G314 S315 S317 T364 R406G314-F366 CarbonylContact C-O 3.57Å; G314-F366 WeakPolarHBondContact CA-O 3.44Å; S315-F366 PolarHBondContact N-O 2.82Å; S315-F366 PolarHBondContact O-N 3.14Å; S317-F366 WeakPolarHBondContact OG-CE2 3.43Å; T364-F366 HydrophobicContact CG2-CD2 4.17Å; T364-F366 HydrophobicContact CG2-CE1 4.15Å; T364-F366 HydrophobicContact CG2-CE2 3.44Å; T364-F366 VanDerWaalsContact CG2-CE2 3.44Å; T364-F366 HydrophobicContact CG2-CZ 3.42Å; T364-F366 VanDerWaalsContact CG2-CZ 3.42Å; F366-R406 HydrophobicContact CD1-CB 4.24Å; F366-R406 HydrophobicContact CD1-CG 3.75Å; F366-R406 HydrophobicContact CE1-CB 4.12Å; F366-R406 HydrophobicContact CE1-CG 4.11Å
367Q83Confident81.2Confident9 Ų955.8 Ų55.84%0.04232%0.322CS..  trans-80.7129.6173.3-174.77717.500111.5D313 Y365 S369 N370 Y378 D405D313-Q367 PolarHBondContact OD1-NE2 2.7Å; Y365-Q367 HydrophobicContact CE1-CB 4.07Å; Y365-Q367 PolarHBondContact OH-OE1 3Å; Q367-S369 PolarHBondContact NE2-OG 3.2Å; Q367-N370 HydrophobicContact CG-CB 4.15Å; Q367-Y378 WeakPolarHBondContact CB-OH 3.43Å; Q367-D405 PolarHBondContact N-OD1 3.48Å
368S77.8Confident80.9Confident67 Ų6750.9 Ų50.947%0.46930%0.295SS..SBendtrans-79.3-42.1179.8-56.10000112.9D313 N370D313-S368 WeakPolarHBondContact O-CB 3.36Å; D313-S368 PolarHBondContact O-OG 3.18Å; S368-N370 VanDerWaalsContact C-N 3.29Å; S368-N370 PolarHBondContact O-N 3.5Å
369S69.7Low80.6Confident79 Ų7955.9 Ų55.955%0.55232%0.316SS*.SBendtrans-71.6-16.2-174.359.10000115.2D313 Q367D313-S369 WeakPolarHBondContact OD1-CB 3.35Å; D313-S369 PolarHBondContact OD1-N 2.7Å; D313-S369 PolarHBondContact OD1-OG 2.6Å; D313-S369 VanDerWaalsContact OD1-OG 3.04Å; D313-S369 VanDerWaalsContact OD2-CB 3.25Å; D313-S369 WeakPolarHBondContact OD2-CB 3.41Å; D313-S369 PolarHBondContact OD2-N 2.59Å; Q367-S369 PolarHBondContact NE2-OG 3.2Å
370N64.9Low80.4Confident75 Ų7554.3 Ų54.340%0.40131%0.305SS..  trans-132.878.6-169.5-149.9-1.2000112.1Q367 S368 Q372Q367-N370 HydrophobicContact CG-CB 4.15Å; S368-N370 VanDerWaalsContact C-N 3.29Å; S368-N370 PolarHBondContact O-N 3.5Å; N370-Q372 PolarHBondContact O-N 3.46Å
371L58.9Low80.1Confident135 Ų13558.6 Ų58.671%0.70732%0.323SS*.THydrogen-bonded Turntrans-64.9-7.3-176.7-84.2134.7000115.2
372Q55.8Low79.9Confident187 Ų18759.4 Ų59.487%0.87433%0.329SS*.THydrogen-bonded Turntrans-130.826-166.8-103.1171.7-20.600114.5N370N370-Q372 PolarHBondContact O-N 3.46Å
373C65Low79.8Confident22 Ų2259.4 Ų59.415%0.14933%0.329CS..  trans-107.478.1179.5-162.20000113.1T375 C376C373-T375 PolarHBondContact O-N 2.92Å; C373-C376 HydrophobicContact CB-CB 3.74Å; C373-C376 WeakPolarHBondContact CB-SG 3.44Å; C373-C376 PolarHBondContact O-N 3.23Å; C373-C376 VanDerWaalsContact SG-CA 3.52Å; C373-C376 WeakPolarHBondContact SG-CB 3.31Å; C373-C376 PolarHBondContact SG-N 2.86Å; C373-C376 CovalentContact SG-SG 2.02Å; C373-C376 PolarHBondContact SG-SG 3.02Å
374S64.1Low79.7Confident110 Ų11062.3 Ų62.377%0.76934%0.344SS*.THydrogen-bonded Turntrans-65.9-13.1175.6570000114.2
375T70.8Confident79.9Confident117 Ų11762.1 Ų62.172%0.71834%0.342SS*.THydrogen-bonded Turntrans-108.8-0.8-179.156.60000113.6C373 T377C373-T375 PolarHBondContact O-N 2.92Å; T375-T377 PolarHBondContact O-N 2.93Å
376C82.1Confident80.1Confident27 Ų2766.1 Ų66.118%0.18236%0.36CS..  trans-65.8129.5179.5-82.90000110C373 Y378 K404 D405C373-C376 HydrophobicContact CB-CB 3.74Å; C373-C376 WeakPolarHBondContact CB-SG 3.44Å; C373-C376 PolarHBondContact O-N 3.23Å; C373-C376 VanDerWaalsContact SG-CA 3.52Å; C373-C376 WeakPolarHBondContact SG-CB 3.31Å; C373-C376 PolarHBondContact SG-N 2.86Å; C373-C376 CovalentContact SG-SG 2.02Å; C373-C376 PolarHBondContact SG-SG 3.02Å; C376-Y378 HydrophobicContact CB-CE1 4.5Å; C376-Y378 HydrophobicContact CB-CE2 4.04Å; C376-K404 WeakPolarHBondContact O-CA 3.3Å; C376-D405 HydrophobicContact CB-CB 4.4Å; C376-D405 PolarHBondContact O-N 3.36Å
377T86Confident80.5Confident75 Ų7562.6 Ų62.646%0.4635%0.345SS..EExtended strand (participates in β ladder)trans-118.8140.417455.10000109.1T375 L403 K404T375-T377 PolarHBondContact O-N 2.93Å; T377-L403 CarbonylContact C-O 3.58Å; T377-L403 VanDerWaalsContact CA-O 3.25Å; T377-L403 WeakPolarHBondContact CA-O 3.48Å; T377-K404 HydrophobicContact CG2-CG 3.9Å
378Y86.7Confident80.8Confident7 Ų763 Ų633%0.02735%0.347CS..EExtended strand (participates in β ladder)trans-126.1132.4-175.6-55.8-73.8000109.7M311 Y365 Q367 C376 V402 L403 D405M311-Y378 HydrophobicContact CE-CG 4.32Å; M311-Y378 HydrophobicContact CG-CD1 3.5Å; M311-Y378 VanDerWaalsContact CG-CD1 3.5Å; M311-Y378 HydrophobicContact CG-CE1 4.28Å; M311-Y378 HydrophobicContact CG-CG 3.97Å; M311-Y378 HydrophobicContact SD-CD1 4.41Å; M311-Y378 HydrophobicContact SD-CG 4.32Å; Y365-Y378 AromaticContact CD1-CD2 3.5Å; Y365-Y378 HydrophobicContact CD1-CD2 3.5Å; Y365-Y378 AromaticContact CD1-CE2 3.54Å; Y365-Y378 HydrophobicContact CD1-CE2 3.54Å; Y365-Y378 HydrophobicContact CD1-CG 4.01Å; Y365-Y378 HydrophobicContact CE1-CD1 4.18Å; Y365-Y378 AromaticContact CE1-CD2 3.92Å; Y365-Y378 HydrophobicContact CE1-CD2 3.92Å; Y365-Y378 HydrophobicContact CE1-CE1 4.01Å; Y365-Y378 AromaticContact CE1-CE2 3.73Å; Y365-Y378 HydrophobicContact CE1-CE2 3.73Å; Y365-Y378 HydrophobicContact CE1-CG 4.12Å; Y365-Y378 AromaticContact CE1-CZ 3.78Å; Q367-Y378 WeakPolarHBondContact CB-OH 3.43Å; C376-Y378 HydrophobicContact CB-CE1 4.5Å; C376-Y378 HydrophobicContact CB-CE2 4.04Å; Y378-V402 WeakPolarHBondContact O-CA 3.46Å; Y378-L403 PolarHBondContact N-O 3.14Å; Y378-L403 PolarHBondContact O-N 3.16Å; Y378-D405 HydrophobicContact CE2-CB 3.86Å
379K88.4Confident81.4Confident130 Ų13060 Ų6057%0.56533%0.326SS*.EExtended strand (participates in β ladder)trans-100.9130.1-179-65.4-176.7-178.5176.10111.3P307 D308 V402P307-K379 WeakPolarHBondContact CD-O 3.5Å; D308-K379 PolarHBondContact OD2-N 3.36Å; K379-V402 HydrophobicContact CG-CG2 4.46Å
380I89Confident82.3Confident2 Ų257.7 Ų57.71%0.0131%0.305CS..EExtended strand (participates in β ladder)trans-114.1125.9173.1-63.8168.6000107.9I304 F316 L363 I401 L403I304-I380 HydrophobicContact CG2-CB 4.44Å; I304-I380 HydrophobicContact CG2-CD1 4.01Å; I304-I380 HydrophobicContact CG2-CG1 4.12Å; I304-I380 HydrophobicContact CG2-CG2 3.52Å; F316-I380 HydrophobicContact CE1-CD1 3.78Å; F316-I380 HydrophobicContact CZ-CD1 4.17Å; L363-I380 HydrophobicContact CD2-CD1 3.97Å; I380-I401 HydrophobicContact CB-CB 4.14Å; I380-I401 HydrophobicContact CG2-CD1 4.2Å; I380-I401 PolarHBondContact N-O 3.08Å; I380-I401 PolarHBondContact O-N 3.04Å; I380-L403 HydrophobicContact CD1-CD1 3.53Å; I380-L403 HydrophobicContact CD1-CG 4.08Å
381Q90.2Very high83.4Confident101 Ų10156.7 Ų56.747%0.47230%0.303SS..EExtended strand (participates in β ladder)trans-69.8-48.9-179.9176.2177.3-5.700110.7I305 P307 Y399 N400I305-Q381 HydrophobicContact CB-CB 4.33Å; I305-Q381 HydrophobicContact CG2-CB 4.01Å; I305-Q381 HydrophobicContact CG2-CG 4.38Å; I305-Q381 PolarHBondContact O-N 3.49Å; P307-Q381 HydrophobicContact CG-CB 3.97Å; Q381-Y399 WeakPolarHBondContact O-CA 3.46Å; Q381-N400 PolarHBondContact O-N 3.24Å
382S91.3Very high84.8Confident18 Ų1856.6 Ų56.613%0.12630%0.299CS..EExtended strand (participates in β ladder)trans-152.3149.6179.265.60000112.1I304 I305 R398I304-S382 WeakPolarHBondContact CA-O 3.35Å; I305-S382 WeakPolarHBondContact CB-OG 3.29Å; I305-S382 VanDerWaalsContact CD1-OG 3.32Å; I305-S382 WeakPolarHBondContact CD1-OG 3.4Å; I305-S382 WeakPolarHBondContact CG1-OG 3.46Å; I305-S382 PolarHBondContact N-O 2.84Å; S382-R398 CarbonylContact C-O 3.53Å; S382-R398 WeakPolarHBondContact CA-O 3.34Å
383L93.2Very high86.4Confident1 Ų150.6 Ų50.61%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-125.6133.6172177.9151.3000108.1L302 S303 I304 I361 L363 C397 R398 I401 L411L302-L383 HydrophobicContact CD1-CD1 3.9Å; L302-L383 HydrophobicContact CD1-CD2 3.66Å; L302-L383 HydrophobicContact CD1-CG 3.62Å; S303-L383 CarbonylContact O-C 3.51Å; S303-L383 WeakPolarHBondContact O-CA 3.06Å; I304-L383 HydrophobicContact CG1-CD1 4.49Å; I361-L383 HydrophobicContact CD1-CD2 3.78Å; L363-L383 HydrophobicContact CD1-CD1 4.32Å; L363-L383 HydrophobicContact CD2-CD1 3.6Å; L383-C397 CarbonylContact O-C 3.34Å; L383-C397 VanDerWaalsContact O-CA 3.25Å; L383-C397 WeakPolarHBondContact O-CA 3.48Å; L383-R398 PolarHBondContact N-O 2.82Å; L383-R398 PolarHBondContact O-N 3.27Å; L383-I401 HydrophobicContact CB-CD1 3.67Å; L383-I401 HydrophobicContact CD1-CD1 4.36Å; L383-L411 HydrophobicContact CD1-CD1 4.11Å
384M93.4Very high87.7Confident60 Ų6053.5 Ų53.530%0.29629%0.287SS..EExtended strand (participates in β ladder)trans-131.6124.8175.7179-17967.100110L302 S303 P395 L396L302-M384 CarbonylContact C-O 3.48Å; L302-M384 WeakPolarHBondContact CA-O 3.19Å; S303-M384 PolarHBondContact N-O 2.7Å; S303-M384 PolarHBondContact O-N 3.14Å; M384-P395 HydrophobicContact CG-CB 4.13Å; M384-P395 HydrophobicContact SD-CB 4.24Å; M384-L396 CarbonylContact C-O 3.54Å; M384-L396 VanDerWaalsContact CA-O 3.3Å; M384-L396 WeakPolarHBondContact CA-O 3.31Å
385L94.5Very high89.1Confident4 Ų450.1 Ų50.12%0.02126%0.263CS..EExtended strand (participates in β ladder)trans-105.7122.8171.6-176.672.7000109F300 V301 L302 F318 L320 I358 I361 P395 L396F300-L385 HydrophobicContact CB-CD1 3.89Å; F300-L385 HydrophobicContact CD1-CD1 4.17Å; F300-L385 HydrophobicContact CD1-CD2 4.31Å; F300-L385 HydrophobicContact CD1-CG 4.02Å; F300-L385 HydrophobicContact CG-CD1 4.4Å; V301-L385 WeakPolarHBondContact O-CA 3.24Å; L302-L385 HydrophobicContact CB-CD1 4.33Å; L302-L385 HydrophobicContact CD1-CB 4.26Å; L302-L385 HydrophobicContact CD1-CD1 4.15Å; F318-L385 HydrophobicContact CE2-CD1 4.22Å; F318-L385 HydrophobicContact CZ-CD1 4.34Å; L320-L385 HydrophobicContact CD1-CD2 4.23Å; L320-L385 HydrophobicContact CD2-CD2 3.61Å; I358-L385 HydrophobicContact CD1-CD2 3.76Å; I361-L385 HydrophobicContact CD1-CB 3.96Å; I361-L385 HydrophobicContact CD1-CD2 3.93Å; I361-L385 HydrophobicContact CG1-CD2 4.39Å; L385-P395 WeakPolarHBondContact O-CA 3.35Å; L385-L396 HydrophobicContact CB-CB 4.42Å; L385-L396 PolarHBondContact N-O 2.98Å; L385-L396 PolarHBondContact O-N 3.47Å
386K92.6Very high90.3Very high84 Ų8446.1 Ų46.137%0.36524%0.236SC..EExtended strand (participates in β ladder)trans-125.9132.4179.7179.9179.4178.9-179.40110.3F300 V301 L388 P395F300-K386 CarbonylContact C-O 3.53Å; F300-K386 VanDerWaalsContact CA-O 3.26Å; F300-K386 WeakPolarHBondContact CA-O 3.09Å; V301-K386 HydrophobicContact CG1-CB 3.91Å; V301-K386 PolarHBondContact N-O 3.14Å; V301-K386 PolarHBondContact O-N 3.16Å; K386-L388 PolarHBondContact O-N 3.36Å; K386-P395 HydrophobicContact CB-CB 4.19Å; K386-P395 HydrophobicContact CG-CB 4.43Å
387S92.2Very high90.9Very high4 Ų445.2 Ų45.23%0.02823%0.231CC..EExtended strand (participates in β ladder)trans-72.1128.5169.9-170.90000109.7Y390S387-Y390 WeakPolarHBondContact CB-O 3.48Å; S387-Y390 PolarHBondContact OG-N 3Å; S387-Y390 VanDerWaalsContact OG-N 3.17Å
388L89.3Confident91.4Very high19 Ų1946.4 Ų46.410%0.09923%0.226CC..SBendtrans-92.5-36.5173.3-64.7175.1000110.7I232 F234 Y299 V301 L348 K386 Y390 P391I232-L388 VanDerWaalsContact CD1-C 3.49Å; I232-L388 HydrophobicContact CD1-CB 4.26Å; I232-L388 WeakPolarHBondContact CD1-O 3.38Å; F234-L388 HydrophobicContact CE1-CB 4.41Å; F234-L388 HydrophobicContact CE1-CD1 3.73Å; F234-L388 HydrophobicContact CZ-CB 4.22Å; F234-L388 HydrophobicContact CZ-CD1 3.85Å; Y299-L388 PolarHBondContact O-N 3.41Å; V301-L388 HydrophobicContact CB-CD1 3.88Å; V301-L388 HydrophobicContact CB-CD2 4.44Å; V301-L388 HydrophobicContact CB-CG 4.2Å; V301-L388 HydrophobicContact CG1-CD1 4.22Å; V301-L388 HydrophobicContact CG1-CD2 3.86Å; V301-L388 HydrophobicContact CG1-CG 4.03Å; L348-L388 HydrophobicContact CD1-CD1 3.48Å; L348-L388 VanDerWaalsContact CD1-CD1 3.48Å; K386-L388 PolarHBondContact O-N 3.36Å; L388-Y390 VanDerWaalsContact C-N 3.31Å; L388-Y390 PolarHBondContact O-N 3.45Å; L388-P391 WeakPolarHBondContact O-CG 3.45Å
389T90.4Very high91.7Very high2 Ų251.5 Ų51.51%0.01225%0.246CC..SBendtrans-65.1-34.7176.1-61.60000112.4N230 Y298 Y299N230-T389 HydrophobicContact CB-CG2 3.6Å; Y298-T389 WeakPolarHBondContact CA-OG1 3.07Å; Y298-T389 HydrophobicContact CD1-CG2 3.99Å; Y299-T389 PolarHBondContact N-OG1 2.8Å; Y299-T389 PolarHBondContact O-N 3.42Å
390Y90.6Very high91.8Very high31 Ų3152 Ų5212%0.12226%0.256CS..SBendtrans-128.675.4179.7-63.9-68.5000110.8N230 Y298 D354 S387 L388 E392 R393N230-Y390 WeakPolarHBondContact ND2-CD1 3.33Å; N230-Y390 WeakPolarHBondContact ND2-CE1 3.18Å; Y298-Y390 HydrophobicContact CD1-CD2 4.48Å; Y298-Y390 AromaticContact CD1-CE2 3.69Å; Y298-Y390 HydrophobicContact CD1-CE2 3.69Å; Y298-Y390 AromaticContact CE1-CE2 3.78Å; Y298-Y390 HydrophobicContact CE1-CE2 3.78Å; D354-Y390 VanDerWaalsContact OD2-CE2 3.23Å; D354-Y390 WeakPolarHBondContact OD2-CE2 3.18Å; S387-Y390 WeakPolarHBondContact CB-O 3.48Å; S387-Y390 PolarHBondContact OG-N 3Å; S387-Y390 VanDerWaalsContact OG-N 3.17Å; L388-Y390 VanDerWaalsContact C-N 3.31Å; L388-Y390 PolarHBondContact O-N 3.45Å; Y390-E392 WeakPolarHBondContact CA-OE2 3.27Å; Y390-E392 VanDerWaalsContact CB-OE1 3.3Å; Y390-E392 WeakPolarHBondContact CB-OE1 3.4Å; Y390-E392 VanDerWaalsContact CD1-OE1 3.28Å; Y390-E392 WeakPolarHBondContact CD1-OE1 3.38Å; Y390-E392 PolarHBondContact O-N 3.02Å; Y390-E392 VanDerWaalsContact O-N 3.13Å; Y390-R393 VanDerWaalsContact CE2-NH2 3.34Å; Y390-R393 WeakPolarHBondContact O-CB 3.32Å; Y390-R393 PolarHBondContact O-N 2.75Å
391P87Confident91.9Very high55 Ų5552.3 Ų52.336%0.35726%0.257SS..THydrogen-bonded Turntrans-61.5-19.9-174.4-22.333.9000115L388 R393L388-P391 WeakPolarHBondContact O-CG 3.45Å; P391-R393 PolarHBondContact O-N 2.89Å
392E87.9Confident91.9Very high133 Ų13351.4 Ų51.462%0.62126%0.258SS*.THydrogen-bonded Turntrans-68.1-17.9175.269.9-77.1-179.900113.2Y390Y390-E392 WeakPolarHBondContact CA-OE2 3.27Å; Y390-E392 VanDerWaalsContact CB-OE1 3.3Å; Y390-E392 WeakPolarHBondContact CB-OE1 3.4Å; Y390-E392 VanDerWaalsContact CD1-OE1 3.28Å; Y390-E392 WeakPolarHBondContact CD1-OE1 3.38Å; Y390-E392 PolarHBondContact O-N 3.02Å; Y390-E392 VanDerWaalsContact O-N 3.13Å
393R90.6Very high91.8Very high60 Ų6050.5 Ų50.523%0.22625%0.252CS..SBendtrans-70.5128175.8-66.3-178.9-175172.63109.9D354 Y390 P391D354-R393 IonicContact OD1-CZ 2.86Å; D354-R393 VanDerWaalsContact OD1-CZ 3.24Å; D354-R393 IonicContact OD1-NH1 3.53Å; D354-R393 PolarHBondContact OD1-NH1 3.22Å; D354-R393 IonicContact OD1-NH2 2.83Å; D354-R393 PolarHBondContact OD1-NH2 3.1Å; D354-R393 IonicContact OD2-CZ 3.25Å; D354-R393 IonicContact OD2-NH1 3.79Å; D354-R393 IonicContact OD2-NH2 2.77Å; D354-R393 PolarHBondContact OD2-NH2 3.28Å; Y390-R393 VanDerWaalsContact CE2-NH2 3.34Å; Y390-R393 WeakPolarHBondContact O-CB 3.32Å; Y390-R393 PolarHBondContact O-N 2.75Å; P391-R393 PolarHBondContact O-N 2.89Å
394P91.8Very high91.6Very high83 Ų8355.1 Ų55.154%0.53927%0.272SS..PPolyproline II helixtrans-56.5133.3176-23.732.8000110.9T415P394-T415 HydrophobicContact CB-CG2 3.5Å; P394-T415 HydrophobicContact CG-CG2 4.49Å
395P93.6Very high91.3Very high40 Ų4053.1 Ų53.126%0.2626%0.263SS..PPolyproline II helixtrans-67.5152.1176.627.2-31.6000110.6M384 L385 K386 C416M384-P395 HydrophobicContact CG-CB 4.13Å; M384-P395 HydrophobicContact SD-CB 4.24Å; L385-P395 WeakPolarHBondContact O-CA 3.35Å; K386-P395 HydrophobicContact CB-CB 4.19Å; K386-P395 HydrophobicContact CG-CB 4.43Å; P395-C416 HydrophobicContact CB-CB 4.5Å; P395-C416 HydrophobicContact CG-CB 3.96Å; P395-C416 PolarHBondContact O-N 2.84Å; P395-C416 PolarHBondContact O-SG 3.35Å
396L95.7Very high90.9Very high32 Ų3258.7 Ų58.717%0.16828%0.283CS..EExtended strand (participates in β ladder)trans-106.4127.7-179.7-63.6178.9000109.9I358 M384 L385 P413 N414I358-L396 HydrophobicContact CB-CD1 3.72Å; I358-L396 HydrophobicContact CD1-CD1 3.94Å; I358-L396 HydrophobicContact CG1-CD1 4.4Å; I358-L396 HydrophobicContact CG2-CD1 4Å; M384-L396 CarbonylContact C-O 3.54Å; M384-L396 VanDerWaalsContact CA-O 3.3Å; M384-L396 WeakPolarHBondContact CA-O 3.31Å; L385-L396 HydrophobicContact CB-CB 4.42Å; L385-L396 PolarHBondContact N-O 2.98Å; L385-L396 PolarHBondContact O-N 3.47Å; L396-P413 HydrophobicContact CB-CB 3.95Å; L396-P413 HydrophobicContact CB-CG 4.09Å; L396-P413 HydrophobicContact CD1-CG 4.17Å; L396-N414 CarbonylContact C-O 3.37Å; L396-N414 WeakPolarHBondContact CA-O 3.47Å
397C95.4Very high90.8Very high9 Ų959.2 Ų59.26%0.06129%0.287CS..EExtended strand (participates in β ladder)trans-123147.1-174.9-760000112.8L383 Y399 P413 N414 C416L383-C397 CarbonylContact O-C 3.34Å; L383-C397 VanDerWaalsContact O-CA 3.25Å; L383-C397 WeakPolarHBondContact O-CA 3.48Å; C397-Y399 HydrophobicContact CB-CE2 4.01Å; C397-P413 WeakPolarHBondContact O-CA 3.38Å; C397-N414 PolarHBondContact N-O 3.07Å; C397-N414 PolarHBondContact O-N 2.86Å; C397-C416 HydrophobicContact CB-CB 3.9Å; C397-C416 WeakPolarHBondContact CB-SG 3.05Å; C397-C416 PolarHBondContact N-SG 2.81Å; C397-C416 VanDerWaalsContact N-SG 3.38Å; C397-C416 WeakPolarHBondContact SG-CB 3.02Å; C397-C416 CovalentContact SG-SG 2.03Å; C397-C416 PolarHBondContact SG-SG 3.18Å
398R95.1Very high90.8Very high99 Ų9962.5 Ų62.537%0.37430%0.302SS..EExtended strand (participates in β ladder)trans-139143.3167-172.470.7-174.7-174.64.9109.8S382 L383 I401 L411 N412S382-R398 CarbonylContact C-O 3.53Å; S382-R398 WeakPolarHBondContact CA-O 3.34Å; L383-R398 PolarHBondContact N-O 2.82Å; L383-R398 PolarHBondContact O-N 3.27Å; R398-I401 HydrophobicContact CB-CD1 4.06Å; R398-I401 HydrophobicContact CB-CG1 4.49Å; R398-I401 HydrophobicContact CG-CD1 3.89Å; R398-I401 HydrophobicContact CG-CG1 3.78Å; R398-L411 HydrophobicContact CG-CB 4.32Å; R398-N412 WeakPolarHBondContact CD-O 3.47Å; R398-N412 PolarHBondContact NH1-O 2.81Å
399Y92.8Very high91Very high114 Ų11463.5 Ų63.545%0.44731%0.309SS..EExtended strand (participates in β ladder)trans-122.4158-176.4-55.7-80.8000111.1Q381 C397Q381-Y399 WeakPolarHBondContact O-CA 3.46Å; C397-Y399 HydrophobicContact CB-CE2 4.01Å
400N90.4Very high91.2Very high142 Ų14267.6 Ų67.676%0.75933%0.327SS*.EExtended strand (participates in β ladder)trans52.359.9173-57.5-34.3000113Q381Q381-N400 PolarHBondContact O-N 3.24Å
401I91.8Very high91.4Very high7 Ų766.8 Ų66.84%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-95.8138.9-177.8-57.3152000109I380 L383 R398 L403 L411I380-I401 HydrophobicContact CB-CB 4.14Å; I380-I401 HydrophobicContact CG2-CD1 4.2Å; I380-I401 PolarHBondContact N-O 3.08Å; I380-I401 PolarHBondContact O-N 3.04Å; L383-I401 HydrophobicContact CB-CD1 3.67Å; L383-I401 HydrophobicContact CD1-CD1 4.36Å; R398-I401 HydrophobicContact CB-CD1 4.06Å; R398-I401 HydrophobicContact CB-CG1 4.49Å; R398-I401 HydrophobicContact CG-CD1 3.89Å; R398-I401 HydrophobicContact CG-CG1 3.78Å; I401-L403 HydrophobicContact CG2-CD2 3.86Å; I401-L403 HydrophobicContact CG2-CG 4.15Å; I401-L411 HydrophobicContact CD1-CD1 3.63Å; I401-L411 HydrophobicContact CG1-CD1 4.09Å; I401-L411 HydrophobicContact CG1-CD2 4.15Å; I401-L411 HydrophobicContact CG2-CD1 4.13Å; I401-L411 HydrophobicContact CG2-CD2 3.81Å
402V90.8Very high91.8Very high82 Ų8268.7 Ų68.750%0.49733%0.332SS..EExtended strand (participates in β ladder)trans-116.9123.1171-176.10000107.7Y378 K379Y378-V402 WeakPolarHBondContact O-CA 3.46Å; K379-V402 HydrophobicContact CG-CG2 4.46Å
403L89.8Confident92Very high0 Ų063.1 Ų63.10%031%0.307CS..EExtended strand (participates in β ladder)trans-108.3149.9174.1-60.3-178.3000109.7F316 L363 T377 Y378 I380 I401 V409F316-L403 HydrophobicContact CE1-CD1 4.12Å; L363-L403 HydrophobicContact CD2-CD1 3.81Å; L363-L403 HydrophobicContact CD2-CD2 4.28Å; L363-L403 HydrophobicContact CG-CD1 4.11Å; T377-L403 CarbonylContact C-O 3.58Å; T377-L403 VanDerWaalsContact CA-O 3.25Å; T377-L403 WeakPolarHBondContact CA-O 3.48Å; Y378-L403 PolarHBondContact N-O 3.14Å; Y378-L403 PolarHBondContact O-N 3.16Å; I380-L403 HydrophobicContact CD1-CD1 3.53Å; I380-L403 HydrophobicContact CD1-CG 4.08Å; I401-L403 HydrophobicContact CG2-CD2 3.86Å; I401-L403 HydrophobicContact CG2-CG 4.15Å; L403-V409 HydrophobicContact CD2-CB 3.95Å; L403-V409 HydrophobicContact CD2-CG2 3.81Å
404K88.6Confident92.1Very high97 Ų9765.7 Ų65.742%0.42233%0.325SS..EExtended strand (participates in β ladder)trans-102.6151163.1-73165.2174.6178.90109C376 T377 R406 E407C376-K404 WeakPolarHBondContact O-CA 3.3Å; T377-K404 HydrophobicContact CG2-CG 3.9Å; K404-R406 PolarHBondContact O-N 2.85Å; K404-E407 HydrophobicContact CB-CB 3.91Å; K404-E407 WeakPolarHBondContact CD-OE2 3.39Å; K404-E407 IonicContact NZ-OE2 3.59Å; K404-E407 PolarHBondContact O-N 3.31Å
405D85.9Confident92.2Very high19 Ų1966 Ų6610%0.10233%0.326CS..BIsolated β-bridgetrans-56126.4179.3-164.556.5000110.6Q367 C376 Y378 E407Q367-D405 PolarHBondContact N-OD1 3.48Å; C376-D405 HydrophobicContact CB-CB 4.4Å; C376-D405 PolarHBondContact O-N 3.36Å; Y378-D405 HydrophobicContact CE2-CB 3.86Å; D405-E407 PolarHBondContact O-N 3.26Å
406R86.3Confident92Very high121 Ų12165.2 Ų65.246%0.45732%0.321SS..THydrogen-bonded Turntrans61.29.3177.9-44.2-179.8-173-161.8-8.4116Y365 F366 K404Y365-R406 PolarHBondContact O-N 3.24Å; F366-R406 HydrophobicContact CD1-CB 4.24Å; F366-R406 HydrophobicContact CD1-CG 3.75Å; F366-R406 HydrophobicContact CE1-CB 4.12Å; F366-R406 HydrophobicContact CE1-CG 4.11Å; K404-R406 PolarHBondContact O-N 2.85Å
407E90.6Very high91.3Very high94 Ų9468.7 Ų68.744%0.43934%0.344SS..  trans-93.7130174-163.9175145.700109.7K404 D405K404-E407 HydrophobicContact CB-CB 3.91Å; K404-E407 WeakPolarHBondContact CD-OE2 3.39Å; K404-E407 IonicContact NZ-OE2 3.59Å; K404-E407 PolarHBondContact O-N 3.31Å; D405-E407 PolarHBondContact O-N 3.26Å
408E92.7Very high89.9Confident73 Ų7373.5 Ų73.534%0.34138%0.375SS..  trans-82.4128.9176.7-178172.3-108.400110.5K319 T364 F410K319-E408 WeakPolarHBondContact CD-OE1 3.41Å; K319-E408 VanDerWaalsContact CE-CD 3.45Å; K319-E408 WeakPolarHBondContact CE-OE1 3.42Å; K319-E408 WeakPolarHBondContact CE-OE2 3.42Å; K319-E408 IonicContact NZ-OE1 3.8Å; K319-E408 PolarHBondContact NZ-OE1 3.14Å; K319-E408 IonicContact NZ-OE2 3.68Å; K319-E408 PolarHBondContact NZ-OE2 2.86Å; T364-E408 WeakPolarHBondContact OG1-CA 3.41Å; T364-E408 WeakPolarHBondContact OG1-CB 3.39Å; E408-F410 HydrophobicContact CG-CE2 4.22Å; E408-F410 WeakPolarHBondContact OE2-CE2 3.3Å
409V93.9Very high88.2Confident41 Ų4178.4 Ų78.425%0.24840%0.399CS..EExtended strand (participates in β ladder)trans-119.9124.5177.7-176.50000109.7G362 L363 L403 L411G362-V409 WeakPolarHBondContact CA-O 3.44Å; L363-V409 PolarHBondContact N-O 2.85Å; L363-V409 PolarHBondContact O-N 3.13Å; L403-V409 HydrophobicContact CD2-CB 3.95Å; L403-V409 HydrophobicContact CD2-CG2 3.81Å; V409-L411 HydrophobicContact CG1-CD2 3.76Å; V409-L411 HydrophobicContact CG1-CG 4.5Å
410F94.4Very high85.4Confident87 Ų8780.6 Ų80.638%0.38242%0.418SS..EExtended strand (participates in β ladder)trans-85115.1171.3-75.2-90.7000110.6L321 E408L321-F410 HydrophobicContact CB-CE1 4.43Å; E408-F410 HydrophobicContact CG-CE2 4.22Å; E408-F410 WeakPolarHBondContact OE2-CE2 3.3Å
411L95.3Very high82.6Confident15 Ų1583.7 Ų83.78%0.07944%0.442CS..EExtended strand (participates in β ladder)trans-98.9130.5179.5-55174.6000108.9S360 I361 L363 L383 R398 I401 V409 P413S360-L411 CarbonylContact C-O 3.53Å; S360-L411 WeakPolarHBondContact CA-O 3.49Å; S360-L411 WeakPolarHBondContact CB-O 3.35Å; I361-L411 PolarHBondContact N-O 3.16Å; I361-L411 PolarHBondContact O-N 3.24Å; L363-L411 HydrophobicContact CB-CD1 4.15Å; L363-L411 HydrophobicContact CD2-CD1 4Å; L383-L411 HydrophobicContact CD1-CD1 4.11Å; R398-L411 HydrophobicContact CG-CB 4.32Å; I401-L411 HydrophobicContact CD1-CD1 3.63Å; I401-L411 HydrophobicContact CG1-CD1 4.09Å; I401-L411 HydrophobicContact CG1-CD2 4.15Å; I401-L411 HydrophobicContact CG2-CD1 4.13Å; I401-L411 HydrophobicContact CG2-CD2 3.81Å; V409-L411 HydrophobicContact CG1-CD2 3.76Å; V409-L411 HydrophobicContact CG1-CG 4.5Å; L411-P413 WeakPolarHBondContact O-CD 3.38Å
412N94.4Very high82.2Confident95 Ų9587.5 Ų87.551%0.50846%0.463SS..  trans-91.6100.5170.9-64.5-9.4000108.4S360 R398S360-N412 PolarHBondContact OG-OD1 3.4Å; R398-N412 WeakPolarHBondContact CD-O 3.47Å; R398-N412 PolarHBondContact NH1-O 2.81Å
413P92.9Very high81.7Confident15 Ų1587.8 Ų87.810%0.09746%0.461CS..  trans-79.3155.5-179.237.5-38000110.6I361 L396 C397 L411I361-P413 HydrophobicContact CD1-CB 4.18Å; I361-P413 HydrophobicContact CD1-CG 3.98Å; I361-P413 HydrophobicContact CG1-CG 4.12Å; L396-P413 HydrophobicContact CB-CB 3.95Å; L396-P413 HydrophobicContact CB-CG 4.09Å; L396-P413 HydrophobicContact CD1-CG 4.17Å; C397-P413 WeakPolarHBondContact O-CA 3.38Å; L411-P413 WeakPolarHBondContact O-CD 3.38Å
414N92.9Very high81.3Confident114 Ų11492.7 Ų92.761%0.6149%0.486SS*.EExtended strand (participates in β ladder)trans-108.6162.8170-67.9-42000109.5L396 C397 C416L396-N414 CarbonylContact C-O 3.37Å; L396-N414 WeakPolarHBondContact CA-O 3.47Å; C397-N414 PolarHBondContact N-O 3.07Å; C397-N414 PolarHBondContact O-N 2.86Å; N414-C416 PolarHBondContact O-N 2.03Å
415T92.8Very high80.9Confident91 Ų9192.4 Ų92.456%0.55849%0.49SS*.EExtended strand (participates in β ladder)trans-58131.1167.4-610000109.1P394 T417P394-T415 HydrophobicContact CB-CG2 3.5Å; P394-T415 HydrophobicContact CG-CG2 4.49Å; T415-T417 PolarHBondContact O-N 2.89Å
416C90.2Very high80.5Confident22 Ų2297 Ų9715%0.14951%0.514CS..PPolyproline II helixtrans-61.9131.9-179.9-550000109.9P395 C397 N414P395-C416 HydrophobicContact CB-CB 4.5Å; P395-C416 HydrophobicContact CG-CB 3.96Å; P395-C416 PolarHBondContact O-N 2.84Å; P395-C416 PolarHBondContact O-SG 3.35Å; C397-C416 HydrophobicContact CB-CB 3.9Å; C397-C416 WeakPolarHBondContact CB-SG 3.05Å; C397-C416 PolarHBondContact N-SG 2.81Å; C397-C416 VanDerWaalsContact N-SG 3.38Å; C397-C416 WeakPolarHBondContact SG-CB 3.02Å; C397-C416 CovalentContact SG-SG 2.03Å; C397-C416 PolarHBondContact SG-SG 3.18Å; N414-C416 PolarHBondContact O-N 2.03Å
417T80.5Confident80.2Confident106 Ų10695.4 Ų95.465%0.6552%0.518SS*.PPolyproline II helixtrans-70.4135.4168.241.30000109.2T415 K419T415-T417 PolarHBondContact O-N 2.89Å; T417-K419 PolarHBondContact O-N 3.03Å
418P66.9Low79.4Confident110 Ų11095.5 Ų95.571%0.71452%0.524SS*.PPolyproline II helixtrans-57132.6168.4-5.714.3000107.9N420P418-N420 PolarHBondContact O-N 3.12Å; P418-N420 VanDerWaalsContact O-N 3.08Å
419K57.5Low78.4Confident201 Ų20197.2 Ų97.287%0.87454%0.538SS*.  trans-62.2115.5164.5-77.8-177175.9179.60105.9T417 T421T417-K419 PolarHBondContact O-N 3.03Å; K419-T421 VanDerWaalsContact C-N 3.34Å; K419-T421 PolarHBondContact O-N 3.19Å
420N34.9Very low77.1Confident161 Ų161101.9 Ų101.986%0.86156%0.562SS**  trans-57.7106162.9-75-12.3000105.9P418P418-N420 PolarHBondContact O-N 3.12Å; P418-N420 VanDerWaalsContact O-N 3.08Å
421T32.6Very low75.5Confident206 Ų206103.3 Ų103.3100%1.26458%0.579SS**  trans-63.50172.841.90000111K419K419-T421 VanDerWaalsContact C-N 3.34Å; K419-T421 PolarHBondContact O-N 3.19Å

Retrieved 421 of 421 residues in 87.4 ms (Link to these results)

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