A0A087XAP6_POEFO Loading...

Valosin containing protein lysine (K) methyltransferase

AlphaFold DB , UniProt , Accession A0A087XAP6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 223 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.4Very low61.9Low240 Ų240110.4 Ų110.4100%1.18262%0.622SS**  0129.90-73.5179.9-7100106.9
2A39.9Very low64.3Low99 Ų99106.9 Ų106.982%0.81860%0.595SS**PPolyproline II helixtrans-65.2141.8173.400000109
3A49.1Very low66.5Low71 Ų71103.5 Ų103.559%0.58758%0.579SS**PPolyproline II helixtrans-58.3139.7170.100000108.6E5A3-E5 PolarHBondContact O-N 3.21Å
4P53.8Low68.6Low118 Ų118103.1 Ų103.177%0.76656%0.564SS**PPolyproline II helixtrans-55.3133.2176.722.1-31000109.5I6P4-I6 PolarHBondContact O-N 3.1Å; P4-I6 VanDerWaalsContact O-N 3.14Å
5E57.8Low70.5Confident198 Ų198103.2 Ų103.293%0.92556%0.559SS**PPolyproline II helixtrans-61.2117.8177.4-76.4-177.8163.800109.3A3 D7A3-E5 PolarHBondContact O-N 3.21Å; E5-D7 PolarHBondContact O-N 3.41Å
6I65.3Low72.2Confident60 Ų6097.3 Ų97.331%0.30853%0.527SS..  trans-73.9112.6177.3-60.1163.4000107.6P4 N8 Y11 V104P4-I6 PolarHBondContact O-N 3.1Å; P4-I6 VanDerWaalsContact O-N 3.14Å; I6-N8 PolarHBondContact O-N 2.58Å; I6-Y11 HydrophobicContact CG2-CD2 4.25Å; I6-Y11 HydrophobicContact CG2-CE2 3.65Å; I6-V104 HydrophobicContact CD1-CB 4.48Å; I6-V104 HydrophobicContact CD1-CG1 4.2Å; I6-V104 HydrophobicContact CD1-CG2 3.75Å; I6-V104 HydrophobicContact CG1-CG2 3.95Å; I6-V104 HydrophobicContact CG2-CG1 4.35Å; I6-V104 HydrophobicContact CG2-CG2 4.25Å
7D71.9Confident73.7Confident76 Ų7699.2 Ų99.241%0.40653%0.532SS..  trans-69.193172.2-179.86.2000110.2E5 S9 K10 Y11E5-D7 PolarHBondContact O-N 3.41Å; D7-S9 VanDerWaalsContact CG-OG 3.27Å; D7-S9 PolarHBondContact O-N 2.99Å; D7-S9 VanDerWaalsContact O-N 3.14Å; D7-S9 WeakPolarHBondContact OD1-CB 3.36Å; D7-S9 PolarHBondContact OD1-N 3.23Å; D7-S9 VanDerWaalsContact OD1-N 3.11Å; D7-S9 PolarHBondContact OD1-OG 2.87Å; D7-S9 PolarHBondContact OD2-OG 3.03Å; D7-K10 HydrophobicContact CB-CD 4.21Å; D7-K10 HydrophobicContact CB-CG 4.44Å; D7-K10 PolarHBondContact O-N 3.2Å; D7-K10 WeakPolarHBondContact OD2-CE 3.49Å; D7-K10 IonicContact OD2-NZ 3.41Å; D7-Y11 WeakPolarHBondContact O-CD2 3.1Å; D7-Y11 WeakPolarHBondContact O-CE2 3.32Å
8N70.7Confident75.1Confident101 Ų10194.2 Ų94.254%0.5450%0.504SS..G310 helixtrans-63.9-14.7-178.5-75.5-38.5000113.5I6 K10 Y11 K27I6-N8 PolarHBondContact O-N 2.58Å; N8-K10 PolarHBondContact O-N 3.43Å; N8-Y11 PolarHBondContact O-N 3.2Å; N8-K27 PolarHBondContact OD1-NZ 2.89Å
9S73.1Confident76.2Confident89 Ų8994.3 Ų94.362%0.62251%0.505SS*.G310 helixtrans-68.3-16.617773.60000113.3D7D7-S9 VanDerWaalsContact CG-OG 3.27Å; D7-S9 PolarHBondContact O-N 2.99Å; D7-S9 VanDerWaalsContact O-N 3.14Å; D7-S9 WeakPolarHBondContact OD1-CB 3.36Å; D7-S9 PolarHBondContact OD1-N 3.23Å; D7-S9 VanDerWaalsContact OD1-N 3.11Å; D7-S9 PolarHBondContact OD1-OG 2.87Å; D7-S9 PolarHBondContact OD2-OG 3.03Å
10K77.2Confident77.1Confident123 Ų12394.1 Ų94.154%0.53550%0.503SS..G310 helixtrans-84.1-11.4-179.8-65.8179.3177.3172.30114.2D7 N8 Y30D7-K10 HydrophobicContact CB-CD 4.21Å; D7-K10 HydrophobicContact CB-CG 4.44Å; D7-K10 PolarHBondContact O-N 3.2Å; D7-K10 WeakPolarHBondContact OD2-CE 3.49Å; D7-K10 IonicContact OD2-NZ 3.41Å; N8-K10 PolarHBondContact O-N 3.43Å; K10-Y30 WeakPolarHBondContact O-CD2 3.23Å; K10-Y30 PolarHBondContact O-N 3.13Å
11Y84.1Confident78Confident39 Ų3991.8 Ų91.815%0.15350%0.502CS..EExtended strand (participates in β ladder)trans-119.7148.9-169.1-54.2-77.5000113.9I6 D7 N8 K27 Q28 C29 Y30 L101I6-Y11 HydrophobicContact CG2-CD2 4.25Å; I6-Y11 HydrophobicContact CG2-CE2 3.65Å; D7-Y11 WeakPolarHBondContact O-CD2 3.1Å; D7-Y11 WeakPolarHBondContact O-CE2 3.32Å; N8-Y11 PolarHBondContact O-N 3.2Å; Y11-K27 HydrophobicContact CD1-CB 3.97Å; Y11-K27 HydrophobicContact CD2-CD 4.17Å; Y11-K27 HydrophobicContact CG-CB 4.05Å; Y11-K27 HydrophobicContact CG-CD 4.06Å; Y11-Q28 CarbonylContact C-O 3.5Å; Y11-Q28 WeakPolarHBondContact CA-O 3.47Å; Y11-C29 VanDerWaalsContact CE1-SG 3.51Å; Y11-Y30 VanDerWaalsContact C-CE2 3.47Å; Y11-Y30 WeakPolarHBondContact O-CE2 3.25Å; Y11-L101 HydrophobicContact CD1-CD1 4.18Å; Y11-L101 HydrophobicContact CE1-CD1 3.81Å
12F90.1Very high80.7Confident69 Ų6982.8 Ų82.830%0.30346%0.462SS..EExtended strand (participates in β ladder)trans-119.9157.2159.561.8-76000109.9K27 Q28 Y30 V37F12-K27 CarbonylContact O-C 3.58Å; F12-K27 WeakPolarHBondContact O-CA 3.45Å; F12-Q28 HydrophobicContact CD1-CB 4.02Å; F12-Q28 WeakPolarHBondContact CD1-O 3.31Å; F12-Q28 HydrophobicContact CD2-CB 4.21Å; F12-Q28 VanDerWaalsContact CD2-NE2 3.33Å; F12-Q28 HydrophobicContact CE1-CB 3.65Å; F12-Q28 HydrophobicContact CE2-CB 3.89Å; F12-Q28 HydrophobicContact CE2-CG 4.39Å; F12-Q28 HydrophobicContact CG-CB 4.28Å; F12-Q28 HydrophobicContact CZ-CB 3.57Å; F12-Q28 HydrophobicContact CZ-CG 4.39Å; F12-Q28 PolarHBondContact N-O 2.99Å; F12-Q28 PolarHBondContact O-N 3.31Å; F12-Y30 HydrophobicContact CB-CE1 3.99Å; F12-Y30 HydrophobicContact CB-CE2 4.2Å; F12-Y30 AromaticContact CD1-CD1 3.74Å; F12-Y30 HydrophobicContact CD1-CD1 3.74Å; F12-Y30 HydrophobicContact CD1-CD2 4.31Å; F12-Y30 AromaticContact CD1-CE1 3.71Å; F12-Y30 HydrophobicContact CD1-CE1 3.71Å; F12-Y30 HydrophobicContact CD1-CE2 4.28Å; F12-Y30 HydrophobicContact CD1-CG 4.06Å; F12-Y30 AromaticContact CD1-CZ 4Å; F12-Y30 HydrophobicContact CE1-CD1 4.2Å; F12-Y30 HydrophobicContact CG-CE1 4.1Å; F12-V37 HydrophobicContact CZ-CG1 4.31Å
13V93.6Very high83.5Confident63 Ų6380.4 Ų80.438%0.38244%0.438SS..EExtended strand (participates in β ladder)trans-106.7130.3-173.6-178.40000110.1E15 R25 M26 K27V13-E15 HydrophobicContact CG1-CG 4.15Å; V13-R25 HydrophobicContact CG1-CB 4.03Å; V13-M26 CarbonylContact C-O 3.29Å; V13-M26 VanDerWaalsContact CA-O 3.32Å; V13-M26 WeakPolarHBondContact CA-O 3.44Å; V13-K27 HydrophobicContact CG2-CG 4.41Å
14R95.8Very high85.8Confident97 Ų9777 Ų7737%0.36641%0.41SS..EExtended strand (participates in β ladder)trans-99.7126.9159.5-177.469.6172-95.86.9108.2I16 M26 Q28 V38R14-I16 HydrophobicContact CG-CD1 3.86Å; R14-I16 HydrophobicContact CG-CG1 4.49Å; R14-M26 HydrophobicContact CB-CB 4.41Å; R14-M26 PolarHBondContact N-O 2.88Å; R14-M26 WeakPolarHBondContact O-CB 3.03Å; R14-M26 PolarHBondContact O-N 2.9Å; R14-Q28 VanDerWaalsContact CB-NE2 3.32Å; R14-V38 HydrophobicContact CB-CG2 4.14Å; R14-V38 HydrophobicContact CG-CB 4.29Å; R14-V38 HydrophobicContact CG-CG2 4.33Å
15E97.4Very high87.9Confident105 Ų10575.9 Ų75.949%0.49139%0.39SS..EExtended strand (participates in β ladder)trans-94.2134.8173.9-70.6-179.3-175.700109.4V13 V23 L24 R25V13-E15 HydrophobicContact CG1-CG 4.15Å; E15-V23 HydrophobicContact CB-CG1 3.63Å; E15-V23 HydrophobicContact CG-CG1 3.89Å; E15-L24 CarbonylContact C-O 3.55Å; E15-L24 WeakPolarHBondContact CA-O 3.44Å; E15-R25 IonicContact OE1-CZ 2.73Å; E15-R25 IonicContact OE1-NH1 2.72Å; E15-R25 PolarHBondContact OE1-NH1 3.43Å; E15-R25 IonicContact OE1-NH2 3.7Å; E15-R25 PolarHBondContact OE1-NH2 2.86Å
16I97.7Very high89.8Confident9 Ų966.5 Ų66.55%0.04635%0.346CS..EExtended strand (participates in β ladder)trans-123.4110.2176-52.7-65.1000107.7R14 L24 M26 V38 I43 V78 M82R14-I16 HydrophobicContact CG-CD1 3.86Å; R14-I16 HydrophobicContact CG-CG1 4.49Å; I16-L24 HydrophobicContact CB-CB 4.23Å; I16-L24 PolarHBondContact N-O 3.35Å; I16-L24 PolarHBondContact O-N 2.98Å; I16-M26 HydrophobicContact CG1-CG 4.37Å; I16-V38 HydrophobicContact CD1-CG1 4.39Å; I16-I43 HydrophobicContact CD1-CD1 4.15Å; I16-I43 HydrophobicContact CD1-CG1 3.97Å; I16-I43 HydrophobicContact CD1-CG2 4.49Å; I16-V78 HydrophobicContact CG1-CG2 3.93Å; I16-M82 HydrophobicContact CG2-CE 4.39Å
17E97.9Very high91.2Very high130 Ų13064.4 Ų64.461%0.60734%0.335SS*.EExtended strand (participates in β ladder)trans-78.2128.8179.3-172.6174.3178.700111K47E17-K47 PolarHBondContact O-NZ 3.17Å
18K97.4Very high92.1Very high9 Ų961.2 Ų61.24%0.03932%0.317CS..  trans-84.2161.1174.4-67.7-174.751.2165.40111.4D20 G21 C22 E50 M82 T85K18-D20 VanDerWaalsContact CB-OD1 3.23Å; K18-D20 WeakPolarHBondContact CB-OD1 3.42Å; K18-D20 WeakPolarHBondContact CE-OD2 3.4Å; K18-D20 IonicContact NZ-OD2 3.6Å; K18-D20 PolarHBondContact O-N 2.87Å; K18-G21 PolarHBondContact O-N 3.09Å; K18-C22 VanDerWaalsContact CB-O 3.28Å; K18-C22 WeakPolarHBondContact CB-O 3.41Å; K18-C22 HydrophobicContact CD-CB 4.22Å; K18-C22 PolarHBondContact N-O 2.9Å; K18-E50 WeakPolarHBondContact CA-OE1 3.36Å; K18-E50 WeakPolarHBondContact CB-OE1 3.27Å; K18-M82 HydrophobicContact CD-SD 4.29Å; K18-M82 HydrophobicContact CG-CE 3.94Å; K18-M82 HydrophobicContact CG-SD 4.02Å; K18-T85 PolarHBondContact NZ-OG1 2.93Å
19N95.8Very high92.8Very high96 Ų9657.5 Ų57.551%0.51330%0.299SS..THydrogen-bonded Turntrans-66.2-18.5178.7-72.3-6.2000113.7G21 K47 E50N19-G21 VanDerWaalsContact C-N 3.33Å; N19-K47 PolarHBondContact OD1-NZ 2.96Å; N19-E50 PolarHBondContact N-OE1 3.15Å; N19-E50 PolarHBondContact N-OE2 2.74Å; N19-E50 WeakPolarHBondContact ND2-CB 3.38Å; N19-E50 PolarHBondContact ND2-O 3.22Å
20D94.4Very high92.6Very high89 Ų8960.7 Ų60.748%0.47630%0.299SS..THydrogen-bonded Turntrans-88.33173.964.311.7000113.7K18 C22K18-D20 VanDerWaalsContact CB-OD1 3.23Å; K18-D20 WeakPolarHBondContact CB-OD1 3.42Å; K18-D20 WeakPolarHBondContact CE-OD2 3.4Å; K18-D20 IonicContact NZ-OD2 3.6Å; K18-D20 PolarHBondContact O-N 2.87Å; D20-C22 VanDerWaalsContact C-N 3.3Å; D20-C22 PolarHBondContact O-N 3.1Å; D20-C22 VanDerWaalsContact OD1-CB 3.25Å; D20-C22 WeakPolarHBondContact OD1-CB 3.33Å; D20-C22 PolarHBondContact OD1-N 2.81Å
21G95.8Very high92.1Very high46 Ų4662.4 Ų62.447%0.47431%0.312SS..SBendtrans81.6-1.5-17900000114.7K18 N19K18-G21 PolarHBondContact O-N 3.09Å; N19-G21 VanDerWaalsContact C-N 3.33Å
22C96.6Very high91Very high51 Ų5163.4 Ų63.435%0.34533%0.334SS..  trans-73.8157.8169.7-67.10000110.6K18 D20 L112K18-C22 VanDerWaalsContact CB-O 3.28Å; K18-C22 WeakPolarHBondContact CB-O 3.41Å; K18-C22 HydrophobicContact CD-CB 4.22Å; K18-C22 PolarHBondContact N-O 2.9Å; D20-C22 VanDerWaalsContact C-N 3.3Å; D20-C22 PolarHBondContact O-N 3.1Å; D20-C22 VanDerWaalsContact OD1-CB 3.25Å; D20-C22 WeakPolarHBondContact OD1-CB 3.33Å; D20-C22 PolarHBondContact OD1-N 2.81Å; C22-L112 HydrophobicContact CB-CD2 4.15Å
23V98.3Very high89.6Confident50 Ų5065.4 Ų65.430%0.30335%0.348SS..EExtended strand (participates in β ladder)trans-125120.8-174.6179.60000110.3E15 L112E15-V23 HydrophobicContact CB-CG1 3.63Å; E15-V23 HydrophobicContact CG-CG1 3.89Å; V23-L112 WeakPolarHBondContact O-CD1 3.37Å
24L98.3Very high88.5Confident0 Ų064.5 Ų64.50%034%0.343CS..EExtended strand (participates in β ladder)trans-75.3128.7166.1-70.9169.6000109.1E15 I16 M26 L81 M82 T85 N109 L112E15-L24 CarbonylContact C-O 3.55Å; E15-L24 WeakPolarHBondContact CA-O 3.44Å; I16-L24 HydrophobicContact CB-CB 4.23Å; I16-L24 PolarHBondContact N-O 3.35Å; I16-L24 PolarHBondContact O-N 2.98Å; L24-M26 HydrophobicContact CB-SD 4.39Å; L24-L81 HydrophobicContact CD1-CB 4.48Å; L24-L81 HydrophobicContact CD2-CB 4.18Å; L24-M82 HydrophobicContact CD1-CB 4.17Å; L24-M82 HydrophobicContact CD1-CE 4Å; L24-M82 HydrophobicContact CD1-SD 4.29Å; L24-T85 HydrophobicContact CD2-CG2 4.06Å; L24-N109 WeakPolarHBondContact CA-OD1 3.48Å; L24-N109 HydrophobicContact CD2-CB 3.96Å; L24-L112 HydrophobicContact CD2-CD1 4Å
25R97.8Very high86.7Confident94 Ų9460.8 Ų60.836%0.35534%0.335SS..EExtended strand (participates in β ladder)trans-107.1107.3179.3-57.9179.769.571.610.7108.8V13 E15 E108 N109V13-R25 HydrophobicContact CG1-CB 4.03Å; E15-R25 IonicContact OE1-CZ 2.73Å; E15-R25 IonicContact OE1-NH1 2.72Å; E15-R25 PolarHBondContact OE1-NH1 3.43Å; E15-R25 IonicContact OE1-NH2 3.7Å; E15-R25 PolarHBondContact OE1-NH2 2.86Å; R25-E108 HydrophobicContact CB-CG 3.92Å; R25-E108 IonicContact NE-OE1 2.8Å; R25-N109 PolarHBondContact N-OD1 3.25Å; R25-N109 PolarHBondContact O-ND2 2.89Å
26M97.1Very high85.9Confident0 Ų056.6 Ų56.60%032%0.316CS..EExtended strand (participates in β ladder)trans-102.6108.7-175.3-56.6-51-55.400109.9V13 R14 I16 L24 V38 T76 V78 L81 N105V13-M26 CarbonylContact C-O 3.29Å; V13-M26 VanDerWaalsContact CA-O 3.32Å; V13-M26 WeakPolarHBondContact CA-O 3.44Å; R14-M26 HydrophobicContact CB-CB 4.41Å; R14-M26 PolarHBondContact N-O 2.88Å; R14-M26 WeakPolarHBondContact O-CB 3.03Å; R14-M26 PolarHBondContact O-N 2.9Å; I16-M26 HydrophobicContact CG1-CG 4.37Å; L24-M26 HydrophobicContact CB-SD 4.39Å; M26-V38 HydrophobicContact CB-CG2 3.79Å; M26-V38 HydrophobicContact CG-CG2 4.18Å; M26-T76 WeakPolarHBondContact CE-O 3.31Å; M26-V78 HydrophobicContact CE-CB 3.89Å; M26-V78 HydrophobicContact CG-CB 4.1Å; M26-V78 HydrophobicContact CG-CG2 3.85Å; M26-V78 HydrophobicContact SD-CB 4.09Å; M26-V78 HydrophobicContact SD-CG2 4.08Å; M26-L81 HydrophobicContact CE-CD1 3.74Å; M26-L81 HydrophobicContact SD-CD1 3.76Å; M26-N105 HydrophobicContact CE-CB 3.78Å
27K94.4Very high85.5Confident17 Ų1758.4 Ų58.47%0.07433%0.328CS..EExtended strand (participates in β ladder)trans-68.3138.9167.2-60.4-162.9-166.5173.60109.3N8 Y11 F12 V13 L101 V104 N105 E108N8-K27 PolarHBondContact OD1-NZ 2.89Å; Y11-K27 HydrophobicContact CD1-CB 3.97Å; Y11-K27 HydrophobicContact CD2-CD 4.17Å; Y11-K27 HydrophobicContact CG-CB 4.05Å; Y11-K27 HydrophobicContact CG-CD 4.06Å; F12-K27 CarbonylContact O-C 3.58Å; F12-K27 WeakPolarHBondContact O-CA 3.45Å; V13-K27 HydrophobicContact CG2-CG 4.41Å; K27-L101 WeakPolarHBondContact O-CD1 3.37Å; K27-V104 HydrophobicContact CB-CG1 4.46Å; K27-V104 HydrophobicContact CD-CG1 3.6Å; K27-V104 HydrophobicContact CG-CG1 4.31Å; K27-N105 WeakPolarHBondContact CA-OD1 3.4Å; K27-N105 VanDerWaalsContact CB-OD1 3.28Å; K27-N105 WeakPolarHBondContact CB-OD1 3.47Å; K27-N105 PolarHBondContact N-OD1 3.34Å; K27-N105 PolarHBondContact O-ND2 2.93Å; K27-E108 WeakPolarHBondContact CE-OE2 3.43Å; K27-E108 IonicContact NZ-OE2 2.85Å
28Q91.6Very high85.3Confident8 Ų852.5 Ų52.54%0.03730%0.301CS..EExtended strand (participates in β ladder)trans-132.5148.6178.5-65.4173.8106.100108.5Y11 F12 R14 C36 V37 V38 T76Y11-Q28 CarbonylContact C-O 3.5Å; Y11-Q28 WeakPolarHBondContact CA-O 3.47Å; F12-Q28 HydrophobicContact CD1-CB 4.02Å; F12-Q28 WeakPolarHBondContact CD1-O 3.31Å; F12-Q28 HydrophobicContact CD2-CB 4.21Å; F12-Q28 VanDerWaalsContact CD2-NE2 3.33Å; F12-Q28 HydrophobicContact CE1-CB 3.65Å; F12-Q28 HydrophobicContact CE2-CB 3.89Å; F12-Q28 HydrophobicContact CE2-CG 4.39Å; F12-Q28 HydrophobicContact CG-CB 4.28Å; F12-Q28 HydrophobicContact CZ-CB 3.57Å; F12-Q28 HydrophobicContact CZ-CG 4.39Å; F12-Q28 PolarHBondContact N-O 2.99Å; F12-Q28 PolarHBondContact O-N 3.31Å; R14-Q28 VanDerWaalsContact CB-NE2 3.32Å; Q28-C36 WeakPolarHBondContact CA-O 3.3Å; Q28-C36 WeakPolarHBondContact CB-O 3.33Å; Q28-V37 VanDerWaalsContact OE1-CA 3.29Å; Q28-V38 HydrophobicContact CG-CG2 4.19Å; Q28-T76 HydrophobicContact CG-CG2 4.16Å
29C84.4Confident85.2Confident24 Ų2456.7 Ų56.716%0.16232%0.316CS..EExtended strand (participates in β ladder)trans-92137.2-177-550000111.5Y11 I31 C36Y11-C29 VanDerWaalsContact CE1-SG 3.51Å; C29-I31 VanDerWaalsContact C-N 3.26Å; C29-I31 WeakPolarHBondContact CB-O 3.48Å; C29-I31 PolarHBondContact O-N 2.75Å; C29-C36 HydrophobicContact CB-CB 3.77Å; C29-C36 PolarHBondContact N-O 3.32Å
30Y69.9Low85.2Confident155 Ų15556.2 Ų56.261%0.60831%0.314SS*.SBendtrans-68.7-26.7170.6-67.4-76.5000113.2K10 Y11 F12K10-Y30 WeakPolarHBondContact O-CD2 3.23Å; K10-Y30 PolarHBondContact O-N 3.13Å; Y11-Y30 VanDerWaalsContact C-CE2 3.47Å; Y11-Y30 WeakPolarHBondContact O-CE2 3.25Å; F12-Y30 HydrophobicContact CB-CE1 3.99Å; F12-Y30 HydrophobicContact CB-CE2 4.2Å; F12-Y30 AromaticContact CD1-CD1 3.74Å; F12-Y30 HydrophobicContact CD1-CD1 3.74Å; F12-Y30 HydrophobicContact CD1-CD2 4.31Å; F12-Y30 AromaticContact CD1-CE1 3.71Å; F12-Y30 HydrophobicContact CD1-CE1 3.71Å; F12-Y30 HydrophobicContact CD1-CE2 4.28Å; F12-Y30 HydrophobicContact CD1-CG 4.06Å; F12-Y30 AromaticContact CD1-CZ 4Å; F12-Y30 HydrophobicContact CE1-CD1 4.2Å; F12-Y30 HydrophobicContact CG-CE1 4.1Å
31I65.3Low85.4Confident160 Ų16052 Ų5282%0.82129%0.291SS*.SBendtrans-130.8121.7-177.8-57174.5000106.9C29C29-I31 VanDerWaalsContact C-N 3.26Å; C29-I31 WeakPolarHBondContact CB-O 3.48Å; C29-I31 PolarHBondContact O-N 2.75Å
32G60.5Low85.5Confident60 Ų6050.3 Ų50.362%0.61927%0.273SS*.SBendtrans163.5-178.4-177.400000111.4
33D62.6Low85.6Confident111 Ų11148.3 Ų48.359%0.59426%0.259SS*.  trans-83.9175.8173.7-1590.4000110.9G35 C36D33-G35 PolarHBondContact O-N 3.25Å; D33-C36 WeakPolarHBondContact O-CB 3.26Å; D33-C36 PolarHBondContact O-N 3.06Å
34V69.9Low85.6Confident44 Ų4446.3 Ų46.327%0.26725%0.246SC..G310 helixtrans-51.8-24.1-177.6-66.90000114.9C36 W39 Y146V34-C36 PolarHBondContact O-N 3.46Å; V34-W39 HydrophobicContact CB-CZ2 3.81Å; V34-W39 HydrophobicContact CG1-CZ2 4.1Å; V34-W39 PolarHBondContact O-NE1 2.98Å; V34-Y146 HydrophobicContact CG2-CE2 3.9Å
35G58.6Low85.6Confident19 Ų1946.3 Ų46.320%0.19625%0.246CC..G310 helixtrans-69.7-8.717800000115D33 G75D33-G35 PolarHBondContact O-N 3.25Å; G35-G75 CarbonylContact O-C 3.55Å; G35-G75 VanDerWaalsContact O-C 3.29Å; G35-G75 WeakPolarHBondContact O-CA 3.44Å
36C79.9Confident85.7Confident16 Ų1641.9 Ų41.911%0.10823%0.23CC..G310 helixtrans-90.21.4-173.7-68.20000115Q28 C29 D33 V34 L101Q28-C36 WeakPolarHBondContact CA-O 3.3Å; Q28-C36 WeakPolarHBondContact CB-O 3.33Å; C29-C36 HydrophobicContact CB-CB 3.77Å; C29-C36 PolarHBondContact N-O 3.32Å; D33-C36 WeakPolarHBondContact O-CB 3.26Å; D33-C36 PolarHBondContact O-N 3.06Å; V34-C36 PolarHBondContact O-N 3.46Å; C36-L101 HydrophobicContact CB-CD2 4.33Å
37V89.7Confident85.8Confident47 Ų4742.1 Ų42.129%0.28523%0.231SC..SBendtrans-121.4157.4-179.6-60.60000112.2F12 Q28 W39F12-V37 HydrophobicContact CZ-CG1 4.31Å; Q28-V37 VanDerWaalsContact OE1-CA 3.29Å; V37-W39 HydrophobicContact CG2-CD2 4.23Å; V37-W39 HydrophobicContact CG2-CZ2 3.81Å; V37-W39 PolarHBondContact O-N 2.86Å
38V92.8Very high85.9Confident7 Ų741.6 Ų41.64%0.04223%0.228CC..  trans-84.4104.9172178.90000108.2R14 I16 M26 Q28 I43 T76 V78R14-V38 HydrophobicContact CB-CG2 4.14Å; R14-V38 HydrophobicContact CG-CB 4.29Å; R14-V38 HydrophobicContact CG-CG2 4.33Å; I16-V38 HydrophobicContact CD1-CG1 4.39Å; M26-V38 HydrophobicContact CB-CG2 3.79Å; M26-V38 HydrophobicContact CG-CG2 4.18Å; Q28-V38 HydrophobicContact CG-CG2 4.19Å; V38-I43 HydrophobicContact CG1-CD1 4.02Å; V38-I43 HydrophobicContact CG1-CG1 3.61Å; V38-T76 HydrophobicContact CG2-CG2 3.99Å; V38-V78 HydrophobicContact CG1-CG1 4.22Å
39W95.1Very high86.3Confident97 Ų9741.2 Ų41.237%0.36723%0.227SC..  trans-74.4150.3175.8-66.193.2000111.8V34 V37 A41 A42 I43 D143V34-W39 HydrophobicContact CB-CZ2 3.81Å; V34-W39 HydrophobicContact CG1-CZ2 4.1Å; V34-W39 PolarHBondContact O-NE1 2.98Å; V37-W39 HydrophobicContact CG2-CD2 4.23Å; V37-W39 HydrophobicContact CG2-CZ2 3.81Å; V37-W39 PolarHBondContact O-N 2.86Å; W39-A41 VanDerWaalsContact C-N 3.28Å; W39-A41 PolarHBondContact O-N 3.36Å; W39-A42 WeakPolarHBondContact O-CA 3.44Å; W39-A42 VanDerWaalsContact O-CB 3.28Å; W39-A42 WeakPolarHBondContact O-CB 3.47Å; W39-A42 PolarHBondContact O-N 2.82Å; W39-I43 PolarHBondContact O-N 2.74Å; W39-D143 HydrophobicContact CB-CB 4.41Å
40D97.1Very high86.9Confident86 Ų8640.3 Ų40.346%0.4622%0.22SC..Hα-helixtrans-61.5-36.4-177-70.8-22.4000112.1A42 I43 V44 I214D40-A42 PolarHBondContact O-N 2.9Å; D40-I43 WeakPolarHBondContact O-CB 3.32Å; D40-I43 PolarHBondContact O-N 3.48Å; D40-V44 WeakPolarHBondContact O-CG2 3.36Å; D40-V44 PolarHBondContact O-N 2.81Å; D40-I214 HydrophobicContact CB-CD1 3.8Å
41A97.8Very high88.2Confident0 Ų033.8 Ų33.80%020%0.196CC..Hα-helixtrans-61-30.6173.500000113.1W39 L45 D143 C171 I214W39-A41 VanDerWaalsContact C-N 3.28Å; W39-A41 PolarHBondContact O-N 3.36Å; A41-L45 VanDerWaalsContact O-CB 3.3Å; A41-L45 WeakPolarHBondContact O-CB 3.44Å; A41-L45 PolarHBondContact O-N 3.27Å; A41-D143 HydrophobicContact CB-CB 4.03Å; A41-C171 PolarHBondContact O-SG 3.39Å; A41-I214 HydrophobicContact CB-CG2 4.08Å
42A98.4Very high89.6Confident10 Ų1033.5 Ų33.58%0.08319%0.189CC..Hα-helixtrans-72.3-35.3174.300000111.8W39 D40 A46 V78 V79 A142W39-A42 WeakPolarHBondContact O-CA 3.44Å; W39-A42 VanDerWaalsContact O-CB 3.28Å; W39-A42 WeakPolarHBondContact O-CB 3.47Å; W39-A42 PolarHBondContact O-N 2.82Å; D40-A42 PolarHBondContact O-N 2.9Å; A42-A46 VanDerWaalsContact O-CB 3.25Å; A42-A46 WeakPolarHBondContact O-CB 3.4Å; A42-A46 PolarHBondContact O-N 2.85Å; A42-V78 HydrophobicContact CB-CG1 3.62Å; A42-V79 HydrophobicContact CB-CG2 3.88Å; A42-A142 HydrophobicContact CB-CB 3.8Å
43I98.4Very high91.1Very high10 Ų1034.9 Ų34.95%0.05119%0.186CC..Hα-helixtrans-65.9-51.3173.8-56.1177000109.8I16 V38 W39 D40 L45 A46 K47 F209I16-I43 HydrophobicContact CD1-CD1 4.15Å; I16-I43 HydrophobicContact CD1-CG1 3.97Å; I16-I43 HydrophobicContact CD1-CG2 4.49Å; V38-I43 HydrophobicContact CG1-CD1 4.02Å; V38-I43 HydrophobicContact CG1-CG1 3.61Å; W39-I43 PolarHBondContact O-N 2.74Å; D40-I43 WeakPolarHBondContact O-CB 3.32Å; D40-I43 PolarHBondContact O-N 3.48Å; I43-L45 VanDerWaalsContact C-N 3.29Å; I43-L45 PolarHBondContact O-N 3.21Å; I43-A46 PolarHBondContact O-N 3.46Å; I43-K47 HydrophobicContact CG2-CG 4.44Å; I43-K47 WeakPolarHBondContact O-CG 3.37Å; I43-K47 PolarHBondContact O-N 2.91Å; I43-F209 HydrophobicContact CG2-CD1 3.78Å; I43-F209 HydrophobicContact CG2-CE1 4.32Å
44V98.7Very high92.7Very high8 Ų830.1 Ų30.15%0.04816%0.16CC..Hα-helixtrans-55.1-46.2176.9170.70000110.5D40 K47 Y48 I214 I216D40-V44 WeakPolarHBondContact O-CG2 3.36Å; D40-V44 PolarHBondContact O-N 2.81Å; V44-K47 PolarHBondContact O-N 3.1Å; V44-Y48 WeakPolarHBondContact O-CB 3.41Å; V44-Y48 PolarHBondContact O-N 3.45Å; V44-I214 HydrophobicContact CB-CG2 3.97Å; V44-I214 HydrophobicContact CG1-CG2 3.87Å; V44-I214 HydrophobicContact CG2-CB 4.42Å; V44-I214 HydrophobicContact CG2-CD1 3.81Å; V44-I214 HydrophobicContact CG2-CG2 4.01Å; V44-I216 HydrophobicContact CG1-CD1 3.95Å; V44-I216 HydrophobicContact CG1-CG1 4.22Å
45L98.8Very high93.9Very high0 Ų031 Ų310%016%0.158CC..Hα-helixtrans-66.4-44.7178.9-173.653.1000112.2A41 I43 K47 Y48 L49 V79 A142 I169 C171A41-L45 VanDerWaalsContact O-CB 3.3Å; A41-L45 WeakPolarHBondContact O-CB 3.44Å; A41-L45 PolarHBondContact O-N 3.27Å; I43-L45 VanDerWaalsContact C-N 3.29Å; I43-L45 PolarHBondContact O-N 3.21Å; L45-K47 VanDerWaalsContact C-N 3.32Å; L45-K47 PolarHBondContact O-N 3.3Å; L45-Y48 HydrophobicContact CD1-CD1 4.11Å; L45-Y48 WeakPolarHBondContact O-CB 3.48Å; L45-Y48 PolarHBondContact O-N 3.29Å; L45-L49 HydrophobicContact CD1-CD2 3.99Å; L45-L49 HydrophobicContact CG-CD2 4.45Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.42Å; L45-L49 PolarHBondContact O-N 2.86Å; L45-L49 VanDerWaalsContact O-N 3.09Å; L45-V79 HydrophobicContact CB-CG1 4.2Å; L45-V79 HydrophobicContact CB-CG2 4.41Å; L45-V79 HydrophobicContact CD2-CG1 3.77Å; L45-V79 HydrophobicContact CD2-CG2 4.41Å; L45-V79 HydrophobicContact CG-CG1 3.63Å; L45-A142 HydrophobicContact CD2-CB 4.15Å; L45-I169 HydrophobicContact CD1-CG2 3.54Å; L45-C171 HydrophobicContact CB-CB 3.63Å; L45-C171 HydrophobicContact CD1-CB 4.11Å; L45-C171 HydrophobicContact CD2-CB 3.84Å; L45-C171 HydrophobicContact CG-CB 4.05Å
46A98.6Very high95.7Very high0 Ų031.2 Ų31.20%016%0.155CC..Hα-helixtrans-58-45.7178.300000111.3A42 I43 L49 M82A42-A46 VanDerWaalsContact O-CB 3.25Å; A42-A46 WeakPolarHBondContact O-CB 3.4Å; A42-A46 PolarHBondContact O-N 2.85Å; I43-A46 PolarHBondContact O-N 3.46Å; A46-L49 WeakPolarHBondContact O-CB 3.34Å; A46-L49 PolarHBondContact O-N 2.85Å; A46-M82 HydrophobicContact CB-CB 4.02Å; A46-M82 HydrophobicContact CB-CE 4.16Å; A46-M82 HydrophobicContact CB-CG 4.15Å; A46-M82 WeakPolarHBondContact O-CG 3.46Å
47K98.5Very high96.3Very high6 Ų634.6 Ų34.63%0.02618%0.177CC..Hα-helixtrans-68.8-34.9177.7-62.8-58.7-58.6173.70112.3E17 N19 I43 V44 L45 L49 E50 T51 D206 F209E17-K47 PolarHBondContact O-NZ 3.17Å; N19-K47 PolarHBondContact OD1-NZ 2.96Å; I43-K47 HydrophobicContact CG2-CG 4.44Å; I43-K47 WeakPolarHBondContact O-CG 3.37Å; I43-K47 PolarHBondContact O-N 2.91Å; V44-K47 PolarHBondContact O-N 3.1Å; L45-K47 VanDerWaalsContact C-N 3.32Å; L45-K47 PolarHBondContact O-N 3.3Å; K47-L49 VanDerWaalsContact C-N 3.27Å; K47-L49 PolarHBondContact O-N 2.99Å; K47-E50 IonicContact NZ-OE2 2.74Å; K47-E50 PolarHBondContact NZ-OE2 3.48Å; K47-E50 PolarHBondContact O-N 2.98Å; K47-T51 PolarHBondContact O-N 2.94Å; K47-D206 HydrophobicContact CB-CB 3.96Å; K47-F209 HydrophobicContact CB-CB 3.8Å; K47-F209 HydrophobicContact CB-CD2 4.27Å; K47-F209 HydrophobicContact CB-CG 4.21Å; K47-F209 HydrophobicContact CD-CD2 4.11Å; K47-F209 HydrophobicContact CD-CE2 4.37Å; K47-F209 HydrophobicContact CD-CG 4.45Å; K47-F209 HydrophobicContact CG-CB 3.73Å; K47-F209 HydrophobicContact CG-CD1 4.25Å; K47-F209 HydrophobicContact CG-CD2 3.72Å; K47-F209 HydrophobicContact CG-CE2 4.4Å; K47-F209 HydrophobicContact CG-CG 3.63Å
48Y98.6Very high96.5Very high6 Ų637.5 Ų37.52%0.02420%0.2CC..Hα-helixtrans-58.5-37171.7179-115.2000112.8V44 L45 E50 T51 F54 I169 I200 K204 I216 H218V44-Y48 WeakPolarHBondContact O-CB 3.41Å; V44-Y48 PolarHBondContact O-N 3.45Å; L45-Y48 HydrophobicContact CD1-CD1 4.11Å; L45-Y48 WeakPolarHBondContact O-CB 3.48Å; L45-Y48 PolarHBondContact O-N 3.29Å; Y48-E50 PolarHBondContact O-N 3.23Å; Y48-T51 HydrophobicContact CD2-CG2 4.11Å; Y48-T51 WeakPolarHBondContact O-CB 3.36Å; Y48-T51 WeakPolarHBondContact O-CG2 3.28Å; Y48-T51 PolarHBondContact O-N 2.97Å; Y48-T51 VanDerWaalsContact O-N 3.13Å; Y48-T51 PolarHBondContact O-OG1 2.81Å; Y48-F54 HydrophobicContact CD1-CE2 4.05Å; Y48-F54 AromaticContact CE1-CE2 3.49Å; Y48-F54 HydrophobicContact CE1-CE2 3.49Å; Y48-F54 VanDerWaalsContact CE1-CE2 3.49Å; Y48-F54 AromaticContact CE1-CZ 3.93Å; Y48-F54 HydrophobicContact CE1-CZ 3.93Å; Y48-F54 HydrophobicContact CE2-CE2 4.16Å; Y48-F54 AromaticContact CZ-CE2 3.56Å; Y48-I169 HydrophobicContact CD1-CG2 4.37Å; Y48-I169 HydrophobicContact CE1-CG2 4.15Å; Y48-I200 HydrophobicContact CE2-CG2 3.92Å; Y48-K204 WeakPolarHBondContact CE2-O 3.18Å; Y48-I216 HydrophobicContact CD1-CD1 3.83Å; Y48-I216 HydrophobicContact CD1-CG2 3.98Å; Y48-I216 HydrophobicContact CD2-CD1 3.83Å; Y48-I216 HydrophobicContact CE1-CD1 4.45Å; Y48-I216 HydrophobicContact CE1-CG2 3.81Å; Y48-I216 HydrophobicContact CE2-CD1 4.47Å; Y48-I216 HydrophobicContact CG-CD1 3.46Å; Y48-I216 VanDerWaalsContact CG-CD1 3.46Å; Y48-H218 AromaticContact CE1-NE2 3.56Å; Y48-H218 AromaticContact CZ-NE2 3.67Å; Y48-H218 PolarHBondContact OH-CE1 3.25Å; Y48-H218 PolarHBondContact OH-NE2 3.24Å
49L98.4Very high96.6Very high0 Ų040.3 Ų40.30%022%0.223CC..Hα-helixtrans-65.4-22.5177.4-51.7-164000113L45 A46 K47 F54 W64 V79 M82 A83 L86 I169L45-L49 HydrophobicContact CD1-CD2 3.99Å; L45-L49 HydrophobicContact CG-CD2 4.45Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.42Å; L45-L49 PolarHBondContact O-N 2.86Å; L45-L49 VanDerWaalsContact O-N 3.09Å; A46-L49 WeakPolarHBondContact O-CB 3.34Å; A46-L49 PolarHBondContact O-N 2.85Å; K47-L49 VanDerWaalsContact C-N 3.27Å; K47-L49 PolarHBondContact O-N 2.99Å; L49-F54 WeakPolarHBondContact O-CB 3.4Å; L49-W64 HydrophobicContact CB-CZ2 3.74Å; L49-W64 HydrophobicContact CD1-CH2 4.33Å; L49-W64 HydrophobicContact CD1-CZ2 4.16Å; L49-W64 HydrophobicContact CD2-CH2 3.79Å; L49-W64 HydrophobicContact CD2-CZ2 3.58Å; L49-W64 HydrophobicContact CG-CH2 4.45Å; L49-W64 HydrophobicContact CG-CZ2 3.99Å; L49-W64 PolarHBondContact O-NE1 2.86Å; L49-V79 HydrophobicContact CD1-CG1 3.89Å; L49-V79 HydrophobicContact CG-CG1 4.46Å; L49-M82 HydrophobicContact CB-CG 4.49Å; L49-A83 HydrophobicContact CD1-CB 3.86Å; L49-L86 HydrophobicContact CB-CD1 4.01Å; L49-L86 WeakPolarHBondContact O-CD1 3.28Å; L49-I169 HydrophobicContact CD2-CD1 4.35Å
50E97.4Very high96.5Very high5 Ų539.1 Ų39.12%0.02324%0.241CC..THydrogen-bonded Turntrans-91.4-1.5177.4-60.9-168.797.600113.6K18 N19 K47 Y48 M82 L86K18-E50 WeakPolarHBondContact CA-OE1 3.36Å; K18-E50 WeakPolarHBondContact CB-OE1 3.27Å; N19-E50 PolarHBondContact N-OE1 3.15Å; N19-E50 PolarHBondContact N-OE2 2.74Å; N19-E50 WeakPolarHBondContact ND2-CB 3.38Å; N19-E50 PolarHBondContact ND2-O 3.22Å; K47-E50 IonicContact NZ-OE2 2.74Å; K47-E50 PolarHBondContact NZ-OE2 3.48Å; K47-E50 PolarHBondContact O-N 2.98Å; Y48-E50 PolarHBondContact O-N 3.23Å; E50-M82 VanDerWaalsContact CD-SD 3.51Å; E50-M82 HydrophobicContact CG-CE 4.08Å; E50-M82 HydrophobicContact CG-CG 4.23Å; E50-M82 HydrophobicContact CG-SD 3.6Å; E50-M82 VanDerWaalsContact OE2-CE 3.31Å; E50-M82 WeakPolarHBondContact OE2-CE 3.46Å; E50-L86 HydrophobicContact CG-CD1 4.05Å; E50-L86 HydrophobicContact CG-CD2 4.29Å
51T97.1Very high96.4Very high17 Ų1737 Ų3710%0.10423%0.231CC..SBendtrans-63.3154.5177.460.90000110.9K47 Y48 T53 F54 Y55K47-T51 PolarHBondContact O-N 2.94Å; Y48-T51 HydrophobicContact CD2-CG2 4.11Å; Y48-T51 WeakPolarHBondContact O-CB 3.36Å; Y48-T51 WeakPolarHBondContact O-CG2 3.28Å; Y48-T51 PolarHBondContact O-N 2.97Å; Y48-T51 VanDerWaalsContact O-N 3.13Å; Y48-T51 PolarHBondContact O-OG1 2.81Å; T51-T53 PolarHBondContact O-N 3.44Å; T51-F54 PolarHBondContact O-N 2.94Å; T51-Y55 PolarHBondContact O-N 3.41Å
52K94.6Very high96.4Very high155 Ų15539.5 Ų39.567%0.67425%0.245SC*.THydrogen-bonded Turntrans-58.1-20.8-178.3-64.9-170.4176.1-167.20114.5F54 D56K52-F54 PolarHBondContact O-N 2.84Å; K52-D56 HydrophobicContact CB-CB 4.28Å; K52-D56 HydrophobicContact CG-CB 4.38Å
53T91.6Very high96.3Very high89 Ų8943 Ų4355%0.54626%0.26SS..THydrogen-bonded Turntrans-60.5-36.4172.7-540000111.6T51T51-T53 PolarHBondContact O-N 3.44Å
54F96.2Very high96.3Very high11 Ų1142.5 Ų42.55%0.04826%0.258CS..THydrogen-bonded Turntrans-105.8-35.6-179.1-63.2-76.3000113.1Y48 L49 T51 K52 M63 W64 I169Y48-F54 HydrophobicContact CD1-CE2 4.05Å; Y48-F54 AromaticContact CE1-CE2 3.49Å; Y48-F54 HydrophobicContact CE1-CE2 3.49Å; Y48-F54 VanDerWaalsContact CE1-CE2 3.49Å; Y48-F54 AromaticContact CE1-CZ 3.93Å; Y48-F54 HydrophobicContact CE1-CZ 3.93Å; Y48-F54 HydrophobicContact CE2-CE2 4.16Å; Y48-F54 AromaticContact CZ-CE2 3.56Å; L49-F54 WeakPolarHBondContact O-CB 3.4Å; T51-F54 PolarHBondContact O-N 2.94Å; K52-F54 PolarHBondContact O-N 2.84Å; F54-M63 HydrophobicContact CB-CB 4.35Å; F54-M63 HydrophobicContact CD1-CB 4.11Å; F54-M63 HydrophobicContact CD1-CG 4.44Å; F54-M63 WeakPolarHBondContact O-CB 3.3Å; F54-M63 PolarHBondContact O-N 3.41Å; F54-W64 HydrophobicContact CB-CZ2 4.09Å; F54-W64 HydrophobicContact CD1-CH2 4.23Å; F54-W64 AromaticContact CD1-CZ2 3.65Å; F54-W64 HydrophobicContact CD1-CZ2 3.65Å; F54-W64 HydrophobicContact CD2-CZ2 4.31Å; F54-W64 HydrophobicContact CE1-CH2 4.34Å; F54-W64 HydrophobicContact CE1-CZ2 4.12Å; F54-W64 AromaticContact CG-CZ2 3.76Å; F54-W64 HydrophobicContact CG-CZ2 3.76Å; F54-I169 HydrophobicContact CE1-CD1 4.41Å; F54-I169 HydrophobicContact CZ-CD1 4.1Å
55Y96.4Very high96.2Very high61 Ų6145.6 Ų45.624%0.23928%0.279CS..EExtended strand (participates in β ladder)trans-142107.4-171.8-168.3-99.5000111.3T51 P57 N62 L86T51-Y55 PolarHBondContact O-N 3.41Å; Y55-P57 HydrophobicContact CD1-CG 3.93Å; Y55-P57 HydrophobicContact CE1-CG 3.24Å; Y55-P57 HydrophobicContact CE2-CG 4.36Å; Y55-N62 HydrophobicContact CD2-CB 4.02Å; Y55-N62 HydrophobicContact CE2-CB 4.18Å; Y55-L86 HydrophobicContact CD1-CD2 4.02Å; Y55-L86 HydrophobicContact CD2-CD2 3.93Å; Y55-L86 HydrophobicContact CE1-CD2 4.17Å; Y55-L86 HydrophobicContact CE2-CD2 4.09Å; Y55-L86 HydrophobicContact CG-CD2 3.9Å
56D96.1Very high96.1Very high25 Ų2547.5 Ų47.513%0.13430%0.299CS..EExtended strand (participates in β ladder)trans-138.991.6171.8-172.5-16000109.6K52 S58 A59 G60 V61K52-D56 HydrophobicContact CB-CB 4.28Å; K52-D56 HydrophobicContact CG-CB 4.38Å; D56-S58 PolarHBondContact O-N 3.22Å; D56-S58 WeakPolarHBondContact OD1-CA 3.31Å; D56-S58 WeakPolarHBondContact OD1-CB 3.3Å; D56-S58 PolarHBondContact OD1-N 2.94Å; D56-S58 PolarHBondContact OD1-OG 3.35Å; D56-A59 HydrophobicContact CB-CB 4.11Å; D56-A59 CarbonylContact O-C 3.51Å; D56-A59 PolarHBondContact O-N 2.96Å; D56-A59 VanDerWaalsContact O-N 3.1Å; D56-A59 PolarHBondContact OD1-N 3.21Å; D56-G60 PolarHBondContact O-N 3.29Å; D56-V61 CarbonylContact C-O 3.55Å; D56-V61 HydrophobicContact CB-CB 4.13Å; D56-V61 PolarHBondContact N-O 2.88Å; D56-V61 PolarHBondContact O-N 3.38Å
57P91.8Very high96.1Very high86 Ų8652.3 Ų52.356%0.55832%0.317SS*.G310 helixtrans-58.8-30.6177.7-26.936.4000113.4Y55 A59 G60Y55-P57 HydrophobicContact CD1-CG 3.93Å; Y55-P57 HydrophobicContact CE1-CG 3.24Å; Y55-P57 HydrophobicContact CE2-CG 4.36Å; P57-A59 VanDerWaalsContact C-N 3.26Å; P57-A59 PolarHBondContact O-N 3.23Å; P57-G60 PolarHBondContact O-N 3.2Å
58S93.9Very high96.1Very high109 Ų10954.7 Ų54.776%0.76233%0.332SS*.G310 helixtrans-69.3-27.7179.677.50000112.3D56D56-S58 PolarHBondContact O-N 3.22Å; D56-S58 WeakPolarHBondContact OD1-CA 3.31Å; D56-S58 WeakPolarHBondContact OD1-CB 3.3Å; D56-S58 PolarHBondContact OD1-N 2.94Å; D56-S58 PolarHBondContact OD1-OG 3.35Å
59A94.6Very high96.1Very high65 Ų6554.5 Ų54.554%0.53733%0.332SS..G310 helixtrans-992.317400000113.5D56 P57 V61D56-A59 HydrophobicContact CB-CB 4.11Å; D56-A59 CarbonylContact O-C 3.51Å; D56-A59 PolarHBondContact O-N 2.96Å; D56-A59 VanDerWaalsContact O-N 3.1Å; D56-A59 PolarHBondContact OD1-N 3.21Å; P57-A59 VanDerWaalsContact C-N 3.26Å; P57-A59 PolarHBondContact O-N 3.23Å; A59-V61 VanDerWaalsContact C-N 3.27Å; A59-V61 HydrophobicContact CB-CG2 4.06Å; A59-V61 PolarHBondContact O-N 3.09Å
60G93.8Very high96.1Very high72 Ų7254.7 Ų54.774%0.74233%0.333SS*.THydrogen-bonded Turntrans69.121.1-176.200000114.3D56 P57D56-G60 PolarHBondContact O-N 3.29Å; P57-G60 PolarHBondContact O-N 3.2Å
61V95.3Very high96.2Very high42 Ų4254.6 Ų54.626%0.25533%0.332SS..EExtended strand (participates in β ladder)trans-93.1121-178.4176.50000109.8D56 A59 M63D56-V61 CarbonylContact C-O 3.55Å; D56-V61 HydrophobicContact CB-CB 4.13Å; D56-V61 PolarHBondContact N-O 2.88Å; D56-V61 PolarHBondContact O-N 3.38Å; A59-V61 VanDerWaalsContact C-N 3.27Å; A59-V61 HydrophobicContact CB-CG2 4.06Å; A59-V61 PolarHBondContact O-N 3.09Å; V61-M63 HydrophobicContact CG1-CE 3.78Å; V61-M63 HydrophobicContact CG1-CG 4.39Å
62N96.5Very high96.3Very high53 Ų5353.8 Ų53.828%0.28333%0.327SS..EExtended strand (participates in β ladder)trans-14499.7165.2-177.3-9.6000109.7Y55 W64 C65 L86Y55-N62 HydrophobicContact CD2-CB 4.02Å; Y55-N62 HydrophobicContact CE2-CB 4.18Å; N62-W64 VanDerWaalsContact C-N 3.29Å; N62-W64 PolarHBondContact O-N 3.49Å; N62-W64 WeakPolarHBondContact OD1-CB 3.41Å; N62-W64 PolarHBondContact OD1-N 2.89Å; N62-C65 HydrophobicContact CB-CB 4.28Å; N62-C65 PolarHBondContact OD1-N 2.91Å; N62-C65 VanDerWaalsContact OD1-N 3.1Å; N62-L86 PolarHBondContact ND2-O 3.29Å; N62-L86 PolarHBondContact OD1-O 2.89Å
63M97.2Very high96.4Very high82 Ų8247.2 Ų47.240%0.40430%0.304SS..SBendtrans-73.7-20.1-179.4-67.5-64142.300113.2F54 V61 R67F54-M63 HydrophobicContact CB-CB 4.35Å; F54-M63 HydrophobicContact CD1-CB 4.11Å; F54-M63 HydrophobicContact CD1-CG 4.44Å; F54-M63 WeakPolarHBondContact O-CB 3.3Å; F54-M63 PolarHBondContact O-N 3.41Å; V61-M63 HydrophobicContact CG1-CE 3.78Å; V61-M63 HydrophobicContact CG1-CG 4.39Å; M63-R67 WeakPolarHBondContact O-CG 3.49Å
64W98.1Very high96.7Very high0 Ų043.4 Ų43.40%028%0.281CS..SBendtrans-84.7-27.4-176.8-58.8114.3000113.1L49 F54 N62 G66 R67 V69 L86 G87 A88 Y138 I169L49-W64 HydrophobicContact CB-CZ2 3.74Å; L49-W64 HydrophobicContact CD1-CH2 4.33Å; L49-W64 HydrophobicContact CD1-CZ2 4.16Å; L49-W64 HydrophobicContact CD2-CH2 3.79Å; L49-W64 HydrophobicContact CD2-CZ2 3.58Å; L49-W64 HydrophobicContact CG-CH2 4.45Å; L49-W64 HydrophobicContact CG-CZ2 3.99Å; L49-W64 PolarHBondContact O-NE1 2.86Å; F54-W64 HydrophobicContact CB-CZ2 4.09Å; F54-W64 HydrophobicContact CD1-CH2 4.23Å; F54-W64 AromaticContact CD1-CZ2 3.65Å; F54-W64 HydrophobicContact CD1-CZ2 3.65Å; F54-W64 HydrophobicContact CD2-CZ2 4.31Å; F54-W64 HydrophobicContact CE1-CH2 4.34Å; F54-W64 HydrophobicContact CE1-CZ2 4.12Å; F54-W64 AromaticContact CG-CZ2 3.76Å; F54-W64 HydrophobicContact CG-CZ2 3.76Å; N62-W64 VanDerWaalsContact C-N 3.29Å; N62-W64 PolarHBondContact O-N 3.49Å; N62-W64 WeakPolarHBondContact OD1-CB 3.41Å; N62-W64 PolarHBondContact OD1-N 2.89Å; W64-G66 PolarHBondContact O-N 3.11Å; W64-G66 VanDerWaalsContact O-N 3.12Å; W64-R67 WeakPolarHBondContact O-CB 3.39Å; W64-R67 PolarHBondContact O-N 2.78Å; W64-V69 HydrophobicContact CE3-CG2 4.45Å; W64-V69 HydrophobicContact CZ3-CG2 4.49Å; W64-L86 HydrophobicContact CB-CB 3.95Å; W64-L86 HydrophobicContact CG-CB 3.89Å; W64-L86 HydrophobicContact CG-CD1 4.38Å; W64-G87 CarbonylContact O-C 3.6Å; W64-A88 HydrophobicContact CB-CB 4.3Å; W64-A88 WeakPolarHBondContact O-CA 3.43Å; W64-A88 PolarHBondContact O-N 2.97Å; W64-Y138 HydrophobicContact CE3-CD2 4.5Å; W64-Y138 HydrophobicContact CH2-CD1 4.3Å; W64-Y138 HydrophobicContact CH2-CE1 4.36Å; W64-Y138 HydrophobicContact CZ3-CD1 4.04Å; W64-Y138 AromaticContact CZ3-CD2 3.97Å; W64-Y138 HydrophobicContact CZ3-CD2 3.97Å; W64-Y138 HydrophobicContact CZ3-CE1 4.26Å; W64-Y138 HydrophobicContact CZ3-CE2 4.18Å; W64-Y138 AromaticContact CZ3-CG 3.91Å; W64-Y138 HydrophobicContact CZ3-CG 3.91Å; W64-I169 HydrophobicContact CH2-CD1 3.99Å
65C97Very high96.8Very high73 Ų7343.2 Ų43.249%0.49328%0.283SS..THydrogen-bonded Turntrans-52.7117.8-177.3-168.30000111.9N62 R67N62-C65 HydrophobicContact CB-CB 4.28Å; N62-C65 PolarHBondContact OD1-N 2.91Å; N62-C65 VanDerWaalsContact OD1-N 3.1Å; C65-R67 PolarHBondContact O-N 3.18Å
66G95.7Very high96.8Very high41 Ų4140.5 Ų40.542%0.42327%0.272SS..THydrogen-bonded Turntrans72.48.1178.300000115W64 G87W64-G66 PolarHBondContact O-N 3.11Å; W64-G66 VanDerWaalsContact O-N 3.12Å; G66-G87 PolarHBondContact N-O 3.07Å; G66-G87 VanDerWaalsContact N-O 3.12Å
67R98.4Very high96.9Very high101 Ų10139.4 Ų39.438%0.38127%0.267SS..  trans-85.9138.9176.9-60.5-55.5-176.4178.4-1.6111.4M63 W64 C65 A88 H89 H137 Y138M63-R67 WeakPolarHBondContact O-CG 3.49Å; W64-R67 WeakPolarHBondContact O-CB 3.39Å; W64-R67 PolarHBondContact O-N 2.78Å; C65-R67 PolarHBondContact O-N 3.18Å; R67-A88 CarbonylContact O-C 3.56Å; R67-A88 WeakPolarHBondContact O-CA 3.39Å; R67-H89 PolarHBondContact O-N 3.15Å; R67-H137 HydrophobicContact CB-CB 4.25Å; R67-H137 PolarHBondContact NH1-CD2 3.3Å; R67-H137 PolarHBondContact NH1-NE2 3.09Å; R67-Y138 HydrophobicContact CB-CD2 4.27Å; R67-Y138 HydrophobicContact CB-CE2 4.32Å; R67-Y138 HydrophobicContact CG-CE2 4.13Å
68T98.8Very high97.3Very high56 Ų5635.3 Ų35.334%0.34424%0.24SC..EExtended strand (participates in β ladder)trans-84.8131.3171.153.30000110.1H89 P136 H137 Y138T68-H89 WeakPolarHBondContact CA-O 3.34Å; T68-P136 WeakPolarHBondContact OG1-CA 3.35Å; T68-H137 PolarHBondContact N-ND1 2.64Å; T68-H137 VanDerWaalsContact N-ND1 3.18Å; T68-H137 WeakPolarHBondContact O-CB 3.43Å; T68-H137 PolarHBondContact O-N 3.41Å; T68-H137 PolarHBondContact OG1-N 3.16Å; T68-H137 VanDerWaalsContact OG1-N 3.16Å; T68-H137 PolarHBondContact OG1-ND1 2.98Å; T68-Y138 PolarHBondContact O-N 2.96Å
69V98.9Very high97.5Very high2 Ų230.2 Ų30.21%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-131.2134.2-176.1-176.80000109.1W64 A88 H89 V90 I91 Y138 I140W64-V69 HydrophobicContact CE3-CG2 4.45Å; W64-V69 HydrophobicContact CZ3-CG2 4.49Å; V69-A88 HydrophobicContact CG2-CB 3.65Å; V69-H89 PolarHBondContact N-O 3.47Å; V69-V90 HydrophobicContact CB-CG1 4.36Å; V69-V90 HydrophobicContact CB-CG2 4.14Å; V69-V90 HydrophobicContact CG1-CG1 4.42Å; V69-V90 CarbonylContact O-C 3.52Å; V69-V90 WeakPolarHBondContact O-CA 3.16Å; V69-I91 PolarHBondContact O-N 3.32Å; V69-Y138 WeakPolarHBondContact CA-O 3.44Å; V69-I140 HydrophobicContact CG1-CD1 3.8Å; V69-I140 HydrophobicContact CG1-CG1 3.8Å; V69-I140 HydrophobicContact CG1-CG2 4.19Å
70V98.9Very high97.7Very high4 Ų427.1 Ų27.12%0.02418%0.179CC..EExtended strand (participates in β ladder)trans-113.4124.4167.4174.20000108.5L72 I91 T93 L132 P136 Y138 I139 I140 L161V70-L72 HydrophobicContact CG1-CD2 4.17Å; V70-I91 WeakPolarHBondContact CA-O 3.35Å; V70-T93 HydrophobicContact CG1-CG2 4.15Å; V70-L132 HydrophobicContact CG1-CD1 4.29Å; V70-L132 HydrophobicContact CG2-CB 4.49Å; V70-P136 HydrophobicContact CB-CG 4.13Å; V70-P136 HydrophobicContact CG2-CB 3.96Å; V70-P136 HydrophobicContact CG2-CG 3.82Å; V70-Y138 PolarHBondContact N-O 3.26Å; V70-I139 CarbonylContact O-C 3.55Å; V70-I139 VanDerWaalsContact O-CA 3.27Å; V70-I139 WeakPolarHBondContact O-CA 3.26Å; V70-I140 PolarHBondContact O-N 2.95Å; V70-L161 HydrophobicContact CG1-CD1 4.17Å
71E98.9Very high97.9Very high2 Ų223.7 Ų23.71%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-96.3127.1170.6-176.5174.8-160.200109.8A74 V79 G80 I91 V92 T93 I140E71-A74 HydrophobicContact CB-CB 4.44Å; E71-A74 HydrophobicContact CG-CB 3.84Å; E71-V79 VanDerWaalsContact OE1-CB 3.27Å; E71-V79 WeakPolarHBondContact OE1-CB 3.28Å; E71-G80 WeakPolarHBondContact OE2-CA 3.34Å; E71-G80 PolarHBondContact OE2-N 2.78Å; E71-I91 PolarHBondContact N-O 3.03Å; E71-V92 HydrophobicContact CB-CB 4.41Å; E71-V92 HydrophobicContact CB-CG1 4.06Å; E71-V92 WeakPolarHBondContact OE2-CG1 3.35Å; E71-T93 WeakPolarHBondContact O-CA 3.15Å; E71-T93 WeakPolarHBondContact O-CB 3.31Å; E71-T93 PolarHBondContact O-N 3.15Å; E71-T93 PolarHBondContact O-OG1 3.12Å; E71-I140 VanDerWaalsContact CA-O 3.31Å; E71-I140 WeakPolarHBondContact CA-O 3.45Å; E71-I140 HydrophobicContact CB-CD1 3.99Å; E71-I140 HydrophobicContact CB-CG1 3.65Å; E71-I140 HydrophobicContact CG-CD1 4.19Å; E71-I140 HydrophobicContact CG-CG1 3.89Å
72L98.8Very high98.1Very high0 Ų021.7 Ų21.70%013%0.132CC..EExtended strand (participates in β ladder)trans-99.1132.3174.1-61.5179.9000109.8V70 L123 I139 I140 M141 C144 L154 T157 L158 L161V70-L72 HydrophobicContact CG1-CD2 4.17Å; L72-L123 HydrophobicContact CD2-CD2 3.51Å; L72-I139 HydrophobicContact CD1-CG2 3.81Å; L72-I139 HydrophobicContact CG-CG2 3.92Å; L72-I140 PolarHBondContact N-O 3.44Å; L72-M141 HydrophobicContact CB-CB 4.41Å; L72-C144 PolarHBondContact O-SG 2.93Å; L72-L154 HydrophobicContact CD1-CD1 4.12Å; L72-T157 HydrophobicContact CD1-CG2 4Å; L72-T157 HydrophobicContact CD2-CG2 3.92Å; L72-L158 HydrophobicContact CD1-CD2 3.63Å; L72-L158 HydrophobicContact CD1-CG 4.37Å; L72-L161 HydrophobicContact CD1-CD1 4.47Å; L72-L161 HydrophobicContact CD2-CD1 3.87Å
73G98.1Very high98.2Very high18 Ų1819.2 Ų19.219%0.18612%0.118CC..SBendtrans64.548.7178.700000111.9G75 T93 D94G73-G75 VanDerWaalsContact C-N 3.26Å; G73-G75 PolarHBondContact O-N 3.12Å; G73-T93 PolarHBondContact N-O 2.95Å; G73-D94 WeakPolarHBondContact CA-OD2 3.44Å
74A98.2Very high98.3Very high8 Ų815.3 Ų15.37%0.06610%0.099CC..  trans-65.7-26.2-170.600000113.6E71 T76 G77 V92 T93 D94 L102E71-A74 HydrophobicContact CB-CB 4.44Å; E71-A74 HydrophobicContact CG-CB 3.84Å; A74-T76 PolarHBondContact O-N 2.83Å; A74-G77 PolarHBondContact O-N 2.87Å; A74-V92 HydrophobicContact CB-CB 3.83Å; A74-V92 HydrophobicContact CB-CG1 4.48Å; A74-T93 PolarHBondContact N-O 3.25Å; A74-D94 PolarHBondContact N-OD2 2.97Å; A74-L102 HydrophobicContact CB-CD2 3.79Å
75G96.8Very high98.3Very high8 Ų816 Ų168%0.08210%0.103CC..THydrogen-bonded Turntrans54.8-100.5-175.400000112G35 G73 D94 L102G35-G75 CarbonylContact O-C 3.55Å; G35-G75 VanDerWaalsContact O-C 3.29Å; G35-G75 WeakPolarHBondContact O-CA 3.44Å; G73-G75 VanDerWaalsContact C-N 3.26Å; G73-G75 PolarHBondContact O-N 3.12Å; G75-D94 PolarHBondContact N-OD2 3.3Å; G75-L102 VanDerWaalsContact O-CD2 3.27Å; G75-L102 WeakPolarHBondContact O-CD2 3.31Å
76T97.4Very high98.3Very high3 Ų312.6 Ų12.62%0.0188%0.08CC..THydrogen-bonded Turntrans-77-20.7175.160.60000113.9M26 Q28 V38 A74 L101 N105M26-T76 WeakPolarHBondContact CE-O 3.31Å; Q28-T76 HydrophobicContact CG-CG2 4.16Å; V38-T76 HydrophobicContact CG2-CG2 3.99Å; A74-T76 PolarHBondContact O-N 2.83Å; T76-L101 HydrophobicContact CG2-CD2 4.19Å; T76-N105 WeakPolarHBondContact O-CB 3.35Å; T76-N105 PolarHBondContact O-ND2 2.82Å
77G98.3Very high98.5Very high2 Ų210.7 Ų10.72%0.0216%0.06CC..  trans85.813.9-178.200000114.8A74 V79 G80 L81A74-G77 PolarHBondContact O-N 2.87Å; G77-V79 PolarHBondContact O-N 3.03Å; G77-G80 PolarHBondContact O-N 2.67Å; G77-L81 VanDerWaalsContact O-CB 3.31Å; G77-L81 WeakPolarHBondContact O-CB 3.42Å; G77-L81 WeakPolarHBondContact O-CG 3.49Å; G77-L81 PolarHBondContact O-N 2.82Å
78V98.7Very high98.5Very high1 Ų15.9 Ų5.91%0.0064%0.042CC..Hα-helixtrans-60.1-40.4-172.866.10000113.4I16 M26 V38 A42 M82I16-V78 HydrophobicContact CG1-CG2 3.93Å; M26-V78 HydrophobicContact CE-CB 3.89Å; M26-V78 HydrophobicContact CG-CB 4.1Å; M26-V78 HydrophobicContact CG-CG2 3.85Å; M26-V78 HydrophobicContact SD-CB 4.09Å; M26-V78 HydrophobicContact SD-CG2 4.08Å; V38-V78 HydrophobicContact CG1-CG1 4.22Å; A42-V78 HydrophobicContact CB-CG1 3.62Å; V78-M82 PolarHBondContact O-N 2.91Å
79V98.9Very high98.5Very high1 Ų16.9 Ų6.91%0.0064%0.043CC..Hα-helixtrans-75.3-43.8-176.1-164.60000110.4A42 L45 L49 E71 G77 L81 M82 A83 I140 A142A42-V79 HydrophobicContact CB-CG2 3.88Å; L45-V79 HydrophobicContact CB-CG1 4.2Å; L45-V79 HydrophobicContact CB-CG2 4.41Å; L45-V79 HydrophobicContact CD2-CG1 3.77Å; L45-V79 HydrophobicContact CD2-CG2 4.41Å; L45-V79 HydrophobicContact CG-CG1 3.63Å; L49-V79 HydrophobicContact CD1-CG1 3.89Å; L49-V79 HydrophobicContact CG-CG1 4.46Å; E71-V79 VanDerWaalsContact OE1-CB 3.27Å; E71-V79 WeakPolarHBondContact OE1-CB 3.28Å; G77-V79 PolarHBondContact O-N 3.03Å; V79-L81 VanDerWaalsContact C-N 3.32Å; V79-L81 PolarHBondContact O-N 2.95Å; V79-M82 WeakPolarHBondContact O-CB 3.17Å; V79-M82 PolarHBondContact O-N 2.85Å; V79-A83 PolarHBondContact O-N 3.04Å; V79-I140 HydrophobicContact CB-CD1 4.18Å; V79-I140 HydrophobicContact CG1-CD1 3.78Å; V79-A142 HydrophobicContact CG2-CB 4.01Å
80G98.8Very high98.5Very high0 Ų06.9 Ų6.90%04%0.043CC..Hα-helixtrans-62.1-38.7173.600000112.8E71 G77 A83 A84E71-G80 WeakPolarHBondContact OE2-CA 3.34Å; E71-G80 PolarHBondContact OE2-N 2.78Å; G77-G80 PolarHBondContact O-N 2.67Å; G80-A83 PolarHBondContact O-N 2.78Å; G80-A84 WeakPolarHBondContact O-CB 3.35Å; G80-A84 PolarHBondContact O-N 2.68Å
81L98.8Very high98.5Very high1 Ų18.6 Ų8.61%0.0055%0.051CC..Hα-helixtrans-62-46.1171.8-83.7167.5000111.6L24 M26 G77 V79 A83 A84 T85 N105 N109 I113 I118L24-L81 HydrophobicContact CD1-CB 4.48Å; L24-L81 HydrophobicContact CD2-CB 4.18Å; M26-L81 HydrophobicContact CE-CD1 3.74Å; M26-L81 HydrophobicContact SD-CD1 3.76Å; G77-L81 VanDerWaalsContact O-CB 3.31Å; G77-L81 WeakPolarHBondContact O-CB 3.42Å; G77-L81 WeakPolarHBondContact O-CG 3.49Å; G77-L81 PolarHBondContact O-N 2.82Å; V79-L81 VanDerWaalsContact C-N 3.32Å; V79-L81 PolarHBondContact O-N 2.95Å; L81-A83 PolarHBondContact O-N 2.91Å; L81-A84 PolarHBondContact O-N 2.95Å; L81-T85 WeakPolarHBondContact O-CG2 3.48Å; L81-T85 PolarHBondContact O-N 3.26Å; L81-N105 HydrophobicContact CD1-CB 4.15Å; L81-N109 HydrophobicContact CD1-CB 4.38Å; L81-N109 HydrophobicContact CD2-CB 3.98Å; L81-I113 HydrophobicContact CD2-CD1 4.14Å; L81-I118 HydrophobicContact CB-CD1 4.41Å; L81-I118 HydrophobicContact CD2-CD1 3.73Å; L81-I118 HydrophobicContact CD2-CG2 4.3Å; L81-I118 HydrophobicContact CG-CD1 3.74Å
82M98.8Very high98.5Very high0 Ų08.5 Ų8.50%05%0.051CC..Hα-helixtrans-54.6-53.5174.6-177.162.882.800110.7I16 K18 L24 A46 L49 E50 V78 V79 A84 T85 L86I16-M82 HydrophobicContact CG2-CE 4.39Å; K18-M82 HydrophobicContact CD-SD 4.29Å; K18-M82 HydrophobicContact CG-CE 3.94Å; K18-M82 HydrophobicContact CG-SD 4.02Å; L24-M82 HydrophobicContact CD1-CB 4.17Å; L24-M82 HydrophobicContact CD1-CE 4Å; L24-M82 HydrophobicContact CD1-SD 4.29Å; A46-M82 HydrophobicContact CB-CB 4.02Å; A46-M82 HydrophobicContact CB-CE 4.16Å; A46-M82 HydrophobicContact CB-CG 4.15Å; A46-M82 WeakPolarHBondContact O-CG 3.46Å; L49-M82 HydrophobicContact CB-CG 4.49Å; E50-M82 VanDerWaalsContact CD-SD 3.51Å; E50-M82 HydrophobicContact CG-CE 4.08Å; E50-M82 HydrophobicContact CG-CG 4.23Å; E50-M82 HydrophobicContact CG-SD 3.6Å; E50-M82 VanDerWaalsContact OE2-CE 3.31Å; E50-M82 WeakPolarHBondContact OE2-CE 3.46Å; V78-M82 PolarHBondContact O-N 2.91Å; V79-M82 WeakPolarHBondContact O-CB 3.17Å; V79-M82 PolarHBondContact O-N 2.85Å; M82-A84 VanDerWaalsContact C-N 3.31Å; M82-A84 PolarHBondContact O-N 3.1Å; M82-T85 PolarHBondContact O-N 2.75Å; M82-T85 VanDerWaalsContact O-N 3.15Å; M82-T85 PolarHBondContact O-OG1 2.89Å; M82-L86 HydrophobicContact CG-CD1 4.16Å; M82-L86 WeakPolarHBondContact O-CG 3.3Å; M82-L86 PolarHBondContact O-N 3.41Å; M82-L86 VanDerWaalsContact O-N 3.11Å; M82-L86 HydrophobicContact SD-CD1 4.48Å
83A98.8Very high98.5Very high0 Ų08.5 Ų8.50%05%0.051CC..Hα-helixtrans-56.2-42.9177.600000112.7L49 V79 G80 L81 L86 G87 A88 V90L49-A83 HydrophobicContact CD1-CB 3.86Å; V79-A83 PolarHBondContact O-N 3.04Å; G80-A83 PolarHBondContact O-N 2.78Å; L81-A83 PolarHBondContact O-N 2.91Å; A83-L86 PolarHBondContact O-N 2.85Å; A83-L86 VanDerWaalsContact O-N 3.15Å; A83-G87 PolarHBondContact O-N 2.77Å; A83-A88 HydrophobicContact CB-CB 4.21Å; A83-A88 VanDerWaalsContact O-CB 3.27Å; A83-A88 WeakPolarHBondContact O-CB 3.19Å; A83-A88 PolarHBondContact O-N 2.91Å; A83-A88 VanDerWaalsContact O-N 3.09Å; A83-V90 HydrophobicContact CB-CG2 4.05Å
84A98.8Very high98.5Very high0 Ų08.6 Ų8.60%05%0.047CC..Hα-helixtrans-63.6-42.1178.400000112G80 L81 M82 L86 G87 V90 I113 I118G80-A84 WeakPolarHBondContact O-CB 3.35Å; G80-A84 PolarHBondContact O-N 2.68Å; L81-A84 PolarHBondContact O-N 2.95Å; M82-A84 VanDerWaalsContact C-N 3.31Å; M82-A84 PolarHBondContact O-N 3.1Å; A84-L86 PolarHBondContact O-N 3.17Å; A84-G87 PolarHBondContact O-N 3.05Å; A84-V90 HydrophobicContact CB-CB 4.38Å; A84-V90 HydrophobicContact CB-CG2 3.75Å; A84-I113 HydrophobicContact CB-CD1 3.92Å; A84-I113 HydrophobicContact CB-CG1 4.22Å; A84-I113 HydrophobicContact CB-CG2 4.43Å; A84-I118 HydrophobicContact CB-CB 3.94Å; A84-I118 HydrophobicContact CB-CD1 4.42Å
85T98.4Very high98.4Very high14 Ų1412.1 Ų12.19%0.0866%0.064CC..Hα-helixtrans-67.7-20.317668.60000113.3K18 L24 L81 M82 G87 L112 I113K18-T85 PolarHBondContact NZ-OG1 2.93Å; L24-T85 HydrophobicContact CD2-CG2 4.06Å; L81-T85 WeakPolarHBondContact O-CG2 3.48Å; L81-T85 PolarHBondContact O-N 3.26Å; M82-T85 PolarHBondContact O-N 2.75Å; M82-T85 VanDerWaalsContact O-N 3.15Å; M82-T85 PolarHBondContact O-OG1 2.89Å; T85-G87 VanDerWaalsContact C-N 3.31Å; T85-L112 HydrophobicContact CG2-CB 3.81Å; T85-I113 HydrophobicContact CG2-CG1 3.88Å
86L98Very high98.4Very high3 Ų317.9 Ų17.92%0.0169%0.089CC..THydrogen-bonded Turntrans-85.6-2.8173-61.9171.7000112.9L49 E50 Y55 N62 W64 M82 A83 A84L49-L86 HydrophobicContact CB-CD1 4.01Å; L49-L86 WeakPolarHBondContact O-CD1 3.28Å; E50-L86 HydrophobicContact CG-CD1 4.05Å; E50-L86 HydrophobicContact CG-CD2 4.29Å; Y55-L86 HydrophobicContact CD1-CD2 4.02Å; Y55-L86 HydrophobicContact CD2-CD2 3.93Å; Y55-L86 HydrophobicContact CE1-CD2 4.17Å; Y55-L86 HydrophobicContact CE2-CD2 4.09Å; Y55-L86 HydrophobicContact CG-CD2 3.9Å; N62-L86 PolarHBondContact ND2-O 3.29Å; N62-L86 PolarHBondContact OD1-O 2.89Å; W64-L86 HydrophobicContact CB-CB 3.95Å; W64-L86 HydrophobicContact CG-CB 3.89Å; W64-L86 HydrophobicContact CG-CD1 4.38Å; M82-L86 HydrophobicContact CG-CD1 4.16Å; M82-L86 WeakPolarHBondContact O-CG 3.3Å; M82-L86 PolarHBondContact O-N 3.41Å; M82-L86 VanDerWaalsContact O-N 3.11Å; M82-L86 HydrophobicContact SD-CD1 4.48Å; A83-L86 PolarHBondContact O-N 2.85Å; A83-L86 VanDerWaalsContact O-N 3.15Å; A84-L86 PolarHBondContact O-N 3.17Å
87G98.1Very high98.2Very high0 Ų024.8 Ų24.80%013%0.126CC..THydrogen-bonded Turntrans108.39.8173.600000115.3W64 G66 A83 A84 T85 S115W64-G87 CarbonylContact O-C 3.6Å; G66-G87 PolarHBondContact N-O 3.07Å; G66-G87 VanDerWaalsContact N-O 3.12Å; A83-G87 PolarHBondContact O-N 2.77Å; A84-G87 PolarHBondContact O-N 3.05Å; T85-G87 VanDerWaalsContact C-N 3.31Å; G87-S115 WeakPolarHBondContact CA-OG 3.36Å
88A98.8Very high98Very high0 Ų025.4 Ų25.40%013%0.129CC..  trans-78.6155.9174.600000112.9W64 R67 V69 A83 V90 G116 S117W64-A88 HydrophobicContact CB-CB 4.3Å; W64-A88 WeakPolarHBondContact O-CA 3.43Å; W64-A88 PolarHBondContact O-N 2.97Å; R67-A88 CarbonylContact O-C 3.56Å; R67-A88 WeakPolarHBondContact O-CA 3.39Å; V69-A88 HydrophobicContact CG2-CB 3.65Å; A83-A88 HydrophobicContact CB-CB 4.21Å; A83-A88 VanDerWaalsContact O-CB 3.27Å; A83-A88 WeakPolarHBondContact O-CB 3.19Å; A83-A88 PolarHBondContact O-N 2.91Å; A83-A88 VanDerWaalsContact O-N 3.09Å; A88-V90 HydrophobicContact CB-CG2 3.78Å; A88-G116 CarbonylContact O-C 3.47Å; A88-G116 WeakPolarHBondContact O-CA 3.27Å; A88-S117 PolarHBondContact O-N 2.98Å
89H98.8Very high97.9Very high78 Ų7826.3 Ų26.336%0.36113%0.133SC..EExtended strand (participates in β ladder)trans-98.1101.6168.4-59.3-61.6000109.3R67 T68 V69 S117R67-H89 PolarHBondContact O-N 3.15Å; T68-H89 WeakPolarHBondContact CA-O 3.34Å; V69-H89 PolarHBondContact N-O 3.47Å; H89-S117 PolarHBondContact ND1-OG 3.33Å
90V98.9Very high97.6Very high1 Ų129.9 Ų29.91%0.00616%0.158CC..EExtended strand (participates in β ladder)trans-107.3136.2-165.4-169.50000111.6V69 A83 A84 A88 V92 S117 I118 S119V69-V90 HydrophobicContact CB-CG1 4.36Å; V69-V90 HydrophobicContact CB-CG2 4.14Å; V69-V90 HydrophobicContact CG1-CG1 4.42Å; V69-V90 CarbonylContact O-C 3.52Å; V69-V90 WeakPolarHBondContact O-CA 3.16Å; A83-V90 HydrophobicContact CB-CG2 4.05Å; A84-V90 HydrophobicContact CB-CB 4.38Å; A84-V90 HydrophobicContact CB-CG2 3.75Å; A88-V90 HydrophobicContact CB-CG2 3.78Å; V90-V92 HydrophobicContact CG1-CG1 3.76Å; V90-S117 PolarHBondContact N-O 3.48Å; V90-I118 HydrophobicContact CB-CB 4.43Å; V90-I118 HydrophobicContact CB-CG1 4.15Å; V90-I118 HydrophobicContact CG1-CG1 4.41Å; V90-I118 CarbonylContact O-C 3.52Å; V90-I118 VanDerWaalsContact O-CA 3.3Å; V90-I118 WeakPolarHBondContact O-CA 3.48Å; V90-S119 PolarHBondContact O-N 3.07Å
91I98.9Very high97.4Very high40 Ų4030.2 Ų30.221%0.20516%0.16CC..EExtended strand (participates in β ladder)trans-113.1112.8160.5-57.4176.8000107.1V69 V70 E71 T93 S119 K121 L132V69-I91 PolarHBondContact O-N 3.32Å; V70-I91 WeakPolarHBondContact CA-O 3.35Å; E71-I91 PolarHBondContact N-O 3.03Å; I91-T93 HydrophobicContact CG2-CG2 3.93Å; I91-S119 WeakPolarHBondContact CA-O 3.41Å; I91-K121 HydrophobicContact CG2-CB 3.93Å; I91-K121 HydrophobicContact CG2-CD 4.06Å; I91-K121 HydrophobicContact CG2-CG 3.89Å; I91-L132 HydrophobicContact CB-CD2 4.35Å; I91-L132 HydrophobicContact CD1-CD2 3.91Å; I91-L132 HydrophobicContact CG2-CD2 3.75Å
92V98.9Very high97.4Very high1 Ų130.2 Ų30.21%0.00616%0.16CC..EExtended strand (participates in β ladder)trans-89.1133.6173.5-62.90000109.4E71 A74 V90 L102 I106 I118 S119 A120 K121E71-V92 HydrophobicContact CB-CB 4.41Å; E71-V92 HydrophobicContact CB-CG1 4.06Å; E71-V92 WeakPolarHBondContact OE2-CG1 3.35Å; A74-V92 HydrophobicContact CB-CB 3.83Å; A74-V92 HydrophobicContact CB-CG1 4.48Å; V90-V92 HydrophobicContact CG1-CG1 3.76Å; V92-L102 HydrophobicContact CB-CD2 4.43Å; V92-L102 HydrophobicContact CG2-CD1 4.36Å; V92-L102 HydrophobicContact CG2-CD2 3.98Å; V92-I106 HydrophobicContact CG2-CD1 4.11Å; V92-I118 HydrophobicContact CG1-CD1 3.76Å; V92-I118 HydrophobicContact CG1-CG1 4.12Å; V92-I118 HydrophobicContact CG2-CD1 4.37Å; V92-I118 HydrophobicContact CG2-CG1 4.33Å; V92-S119 WeakPolarHBondContact CG2-O 3.49Å; V92-S119 PolarHBondContact N-O 3.16Å; V92-A120 HydrophobicContact CG2-CB 4.11Å; V92-A120 WeakPolarHBondContact O-CA 3.5Å; V92-K121 PolarHBondContact O-N 3.03Å
93T98.8Very high97.3Very high0 Ų033.6 Ų33.60%018%0.178CC..EExtended strand (participates in β ladder)trans-128.2139.9-174.274.30000112.5V70 E71 G73 A74 I91 K121 L123 L132V70-T93 HydrophobicContact CG1-CG2 4.15Å; E71-T93 WeakPolarHBondContact O-CA 3.15Å; E71-T93 WeakPolarHBondContact O-CB 3.31Å; E71-T93 PolarHBondContact O-N 3.15Å; E71-T93 PolarHBondContact O-OG1 3.12Å; G73-T93 PolarHBondContact N-O 2.95Å; A74-T93 PolarHBondContact N-O 3.25Å; I91-T93 HydrophobicContact CG2-CG2 3.93Å; T93-K121 VanDerWaalsContact CA-O 3.29Å; T93-K121 WeakPolarHBondContact CA-O 3.47Å; T93-K121 HydrophobicContact CG2-CB 4.41Å; T93-L123 HydrophobicContact CG2-CB 4.18Å; T93-L132 HydrophobicContact CG2-CD1 4.21Å; T93-L132 HydrophobicContact CG2-CD2 4.37Å
94D98.3Very high97.2Very high19 Ų1934 Ų3410%0.10218%0.18CC..EExtended strand (participates in β ladder)trans-160.7-174.5175.4-146.6-67.9000109.5G73 A74 G75 L98 Q99 L102 K121 V122 L123G73-D94 WeakPolarHBondContact CA-OD2 3.44Å; A74-D94 PolarHBondContact N-OD2 2.97Å; G75-D94 PolarHBondContact N-OD2 3.3Å; D94-L98 HydrophobicContact CB-CB 3.85Å; D94-L98 HydrophobicContact CB-CG 4.44Å; D94-Q99 PolarHBondContact O-NE2 3.38Å; D94-L102 HydrophobicContact CB-CD1 3.97Å; D94-K121 PolarHBondContact N-O 2.9Å; D94-V122 WeakPolarHBondContact O-CA 3.49Å; D94-L123 PolarHBondContact O-N 3.01Å
95L96.8Very high97.2Very high82 Ų8234 Ų3443%0.42918%0.18SC..  trans-64.6163.1173.7-58.1177000111.7D97 L98 Q99 K124L95-D97 VanDerWaalsContact C-N 3.26Å; L95-D97 PolarHBondContact O-N 3.4Å; L95-L98 PolarHBondContact O-N 2.94Å; L95-L98 VanDerWaalsContact O-N 3.14Å; L95-Q99 PolarHBondContact O-NE2 3.44Å; L95-Q99 VanDerWaalsContact O-NE2 3.15Å; L95-K124 HydrophobicContact CD2-CB 3.85Å; L95-K124 HydrophobicContact CD2-CD 4.21Å; L95-K124 HydrophobicContact CD2-CG 3.95Å
96E95.8Very high97.2Very high130 Ų13034 Ų3461%0.60718%0.179SC*.G310 helixtrans-53.1-43.6178.5-173.368.8-142.300112.1L98 Q99 V122E96-L98 PolarHBondContact O-N 3.22Å; E96-L98 VanDerWaalsContact O-N 3.1Å; E96-Q99 WeakPolarHBondContact O-CB 3.27Å; E96-Q99 VanDerWaalsContact O-CG 3.29Å; E96-Q99 WeakPolarHBondContact O-CG 3.25Å; E96-Q99 PolarHBondContact O-N 2.89Å; E96-Q99 VanDerWaalsContact O-N 3.07Å; E96-V122 WeakPolarHBondContact OE2-CG2 3.45Å
97D93.1Very high97.2Very high147 Ų14739.3 Ų39.379%0.78620%0.204SC*.G310 helixtrans-64-20.8-175.9-65.7-15.5000113.2L95L95-D97 VanDerWaalsContact C-N 3.26Å; L95-D97 PolarHBondContact O-N 3.4Å
98L94.6Very high97.1Very high16 Ų1642.8 Ų42.88%0.08422%0.221CC..G310 helixtrans-93.7-11.2-179.7-78.7-60.5000112.8D94 L95 E96 S100 L101 L102D94-L98 HydrophobicContact CB-CB 3.85Å; D94-L98 HydrophobicContact CB-CG 4.44Å; L95-L98 PolarHBondContact O-N 2.94Å; L95-L98 VanDerWaalsContact O-N 3.14Å; E96-L98 PolarHBondContact O-N 3.22Å; E96-L98 VanDerWaalsContact O-N 3.1Å; L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 3.5Å; L98-L101 HydrophobicContact CD1-CD2 4.15Å; L98-L101 PolarHBondContact O-N 3.47Å; L98-L102 WeakPolarHBondContact O-CG 3.42Å; L98-L102 PolarHBondContact O-N 2.78Å
99Q96.1Very high97.1Very high19 Ų1942.9 Ų42.99%0.08922%0.221CC..Hα-helixtrans-60.2-37.3-177-61.1-57.3-56.600112.5D94 L95 E96 N103 K121 V122D94-Q99 PolarHBondContact O-NE2 3.38Å; L95-Q99 PolarHBondContact O-NE2 3.44Å; L95-Q99 VanDerWaalsContact O-NE2 3.15Å; E96-Q99 WeakPolarHBondContact O-CB 3.27Å; E96-Q99 VanDerWaalsContact O-CG 3.29Å; E96-Q99 WeakPolarHBondContact O-CG 3.25Å; E96-Q99 PolarHBondContact O-N 2.89Å; E96-Q99 VanDerWaalsContact O-N 3.07Å; Q99-N103 WeakPolarHBondContact O-CB 3.31Å; Q99-N103 PolarHBondContact O-N 2.83Å; Q99-N103 PolarHBondContact O-ND2 2.88Å; Q99-K121 PolarHBondContact NE2-O 3.42Å; Q99-K121 VanDerWaalsContact NE2-O 3.08Å; Q99-K121 VanDerWaalsContact OE1-C 3.25Å; Q99-K121 PolarHBondContact OE1-O 3.39Å; Q99-V122 HydrophobicContact CG-CG2 3.54Å
100S94Very high97.1Very high77 Ų7743.6 Ų43.654%0.53822%0.224SC..Hα-helixtrans-63.9-41.9176.2-173.30000111.5L98 V104L98-S100 VanDerWaalsContact C-N 3.28Å; L98-S100 PolarHBondContact O-N 3.5Å; S100-V104 WeakPolarHBondContact O-CB 3.39Å; S100-V104 VanDerWaalsContact O-CG2 3.23Å; S100-V104 WeakPolarHBondContact O-CG2 3.37Å; S100-V104 PolarHBondContact O-N 2.99Å; S100-V104 VanDerWaalsContact O-N 3.08Å
101L95Very high97Very high6 Ų649.5 Ų49.53%0.03126%0.261CS..Hα-helixtrans-67.5-45.9-179.2-17960.5000111Y11 K27 C36 T76 L98 N103 V104 N105Y11-L101 HydrophobicContact CD1-CD1 4.18Å; Y11-L101 HydrophobicContact CE1-CD1 3.81Å; K27-L101 WeakPolarHBondContact O-CD1 3.37Å; C36-L101 HydrophobicContact CB-CD2 4.33Å; T76-L101 HydrophobicContact CG2-CD2 4.19Å; L98-L101 HydrophobicContact CD1-CD2 4.15Å; L98-L101 PolarHBondContact O-N 3.47Å; L101-N103 PolarHBondContact O-N 2.92Å; L101-V104 PolarHBondContact O-N 3.2Å; L101-N105 PolarHBondContact O-N 3.28Å
102L97.6Very high97Very high1 Ų149.5 Ų49.51%0.00526%0.261CS..Hα-helixtrans-56.3-50.2176.1-71.3170.4000111.4A74 G75 V92 D94 L98 V104 N105 I106 A120A74-L102 HydrophobicContact CB-CD2 3.79Å; G75-L102 VanDerWaalsContact O-CD2 3.27Å; G75-L102 WeakPolarHBondContact O-CD2 3.31Å; V92-L102 HydrophobicContact CB-CD2 4.43Å; V92-L102 HydrophobicContact CG2-CD1 4.36Å; V92-L102 HydrophobicContact CG2-CD2 3.98Å; D94-L102 HydrophobicContact CB-CD1 3.97Å; L98-L102 WeakPolarHBondContact O-CG 3.42Å; L98-L102 PolarHBondContact O-N 2.78Å; L102-V104 VanDerWaalsContact C-N 3.32Å; L102-V104 PolarHBondContact O-N 3.47Å; L102-N105 PolarHBondContact O-N 3.02Å; L102-I106 WeakPolarHBondContact O-CB 3.33Å; L102-I106 VanDerWaalsContact O-CG1 3.25Å; L102-I106 WeakPolarHBondContact O-CG1 3.33Å; L102-I106 PolarHBondContact O-N 3.11Å; L102-A120 HydrophobicContact CB-CB 3.9Å; L102-A120 HydrophobicContact CD1-CB 4.23Å
103N97.7Very high96.9Very high71 Ų7150.3 Ų50.338%0.3827%0.265SS..Hα-helixtrans-64.1-36.5-179.5-78-63000112.6Q99 L101 I106 Q107Q99-N103 WeakPolarHBondContact O-CB 3.31Å; Q99-N103 PolarHBondContact O-N 2.83Å; Q99-N103 PolarHBondContact O-ND2 2.88Å; L101-N103 PolarHBondContact O-N 2.92Å; N103-I106 PolarHBondContact O-N 2.97Å; N103-Q107 WeakPolarHBondContact O-CB 3.37Å; N103-Q107 VanDerWaalsContact O-CG 3.29Å; N103-Q107 WeakPolarHBondContact O-CG 3.1Å; N103-Q107 PolarHBondContact O-N 2.88Å
104V95.9Very high96.6Very high9 Ų959 Ų596%0.05531%0.306CS..Hα-helixtrans-63.8-45.1174.5167.30000111.2I6 K27 S100 L101 L102 Q107 E108I6-V104 HydrophobicContact CD1-CB 4.48Å; I6-V104 HydrophobicContact CD1-CG1 4.2Å; I6-V104 HydrophobicContact CD1-CG2 3.75Å; I6-V104 HydrophobicContact CG1-CG2 3.95Å; I6-V104 HydrophobicContact CG2-CG1 4.35Å; I6-V104 HydrophobicContact CG2-CG2 4.25Å; K27-V104 HydrophobicContact CB-CG1 4.46Å; K27-V104 HydrophobicContact CD-CG1 3.6Å; K27-V104 HydrophobicContact CG-CG1 4.31Å; S100-V104 WeakPolarHBondContact O-CB 3.39Å; S100-V104 VanDerWaalsContact O-CG2 3.23Å; S100-V104 WeakPolarHBondContact O-CG2 3.37Å; S100-V104 PolarHBondContact O-N 2.99Å; S100-V104 VanDerWaalsContact O-N 3.08Å; L101-V104 PolarHBondContact O-N 3.2Å; L102-V104 VanDerWaalsContact C-N 3.32Å; L102-V104 PolarHBondContact O-N 3.47Å; V104-Q107 PolarHBondContact O-N 2.65Å; V104-E108 WeakPolarHBondContact O-CB 3.3Å; V104-E108 PolarHBondContact O-N 2.99Å
105N98.2Very high96.4Very high0 Ų061.6 Ų61.60%033%0.325CS..Hα-helixtrans-69.6-34.4178.4-74.3-25.8000112.7M26 K27 T76 L81 L101 L102 N109M26-N105 HydrophobicContact CE-CB 3.78Å; K27-N105 WeakPolarHBondContact CA-OD1 3.4Å; K27-N105 VanDerWaalsContact CB-OD1 3.28Å; K27-N105 WeakPolarHBondContact CB-OD1 3.47Å; K27-N105 PolarHBondContact N-OD1 3.34Å; K27-N105 PolarHBondContact O-ND2 2.93Å; T76-N105 WeakPolarHBondContact O-CB 3.35Å; T76-N105 PolarHBondContact O-ND2 2.82Å; L81-N105 HydrophobicContact CD1-CB 4.15Å; L101-N105 PolarHBondContact O-N 3.28Å; L102-N105 PolarHBondContact O-N 3.02Å; N105-N109 PolarHBondContact O-N 3.36Å; N105-N109 PolarHBondContact O-ND2 3.29Å
106I98.6Very high96.5Very high13 Ų1358.3 Ų58.37%0.06731%0.312CS..Hα-helixtrans-59.6-50.9171.2-72.7166.1000110.3V92 L102 N103 E108 N109 Q110 I118 A120V92-I106 HydrophobicContact CG2-CD1 4.11Å; L102-I106 WeakPolarHBondContact O-CB 3.33Å; L102-I106 VanDerWaalsContact O-CG1 3.25Å; L102-I106 WeakPolarHBondContact O-CG1 3.33Å; L102-I106 PolarHBondContact O-N 3.11Å; N103-I106 PolarHBondContact O-N 2.97Å; I106-E108 PolarHBondContact O-N 3.21Å; I106-N109 PolarHBondContact O-N 3.03Å; I106-Q110 WeakPolarHBondContact O-CB 3.43Å; I106-Q110 PolarHBondContact O-N 3.46Å; I106-I118 HydrophobicContact CB-CG2 4.35Å; I106-I118 HydrophobicContact CD1-CD1 4.42Å; I106-I118 HydrophobicContact CD1-CG1 4.09Å; I106-I118 HydrophobicContact CD1-CG2 4.39Å; I106-I118 HydrophobicContact CG1-CD1 4.04Å; I106-I118 HydrophobicContact CG1-CG1 4.11Å; I106-I118 HydrophobicContact CG1-CG2 3.92Å; I106-I118 HydrophobicContact CG2-CG2 3.68Å; I106-A120 HydrophobicContact CD1-CB 4.01Å
107Q98Very high96.6Very high116 Ų11654.6 Ų54.654%0.54230%0.3SS..Hα-helixtrans-61.8-42.1-179.7-74176.9-5.500112.5N103 V104 N109 Q110N103-Q107 WeakPolarHBondContact O-CB 3.37Å; N103-Q107 VanDerWaalsContact O-CG 3.29Å; N103-Q107 WeakPolarHBondContact O-CG 3.1Å; N103-Q107 PolarHBondContact O-N 2.88Å; V104-Q107 PolarHBondContact O-N 2.65Å; Q107-N109 PolarHBondContact O-N 3.43Å; Q107-Q110 PolarHBondContact O-N 3.19Å
108E97.6Very high96.9Very high73 Ų7348.6 Ų48.634%0.34127%0.267SS..Hα-helixtrans-59.3-35.1178.8-174.372.5-161.200112.2R25 K27 V104 I106R25-E108 HydrophobicContact CB-CG 3.92Å; R25-E108 IonicContact NE-OE1 2.8Å; K27-E108 WeakPolarHBondContact CE-OE2 3.43Å; K27-E108 IonicContact NZ-OE2 2.85Å; V104-E108 WeakPolarHBondContact O-CB 3.3Å; V104-E108 PolarHBondContact O-N 2.99Å; I106-E108 PolarHBondContact O-N 3.21Å
109N98.4Very high97.1Very high2 Ų250.4 Ų50.41%0.01128%0.282CS..Hα-helixtrans-108.24-172.4-63.8-78.3000113.8L24 R25 L81 N105 I106 Q107 T111 L112L24-N109 WeakPolarHBondContact CA-OD1 3.48Å; L24-N109 HydrophobicContact CD2-CB 3.96Å; R25-N109 PolarHBondContact N-OD1 3.25Å; R25-N109 PolarHBondContact O-ND2 2.89Å; L81-N109 HydrophobicContact CD1-CB 4.38Å; L81-N109 HydrophobicContact CD2-CB 3.98Å; N105-N109 PolarHBondContact O-N 3.36Å; N105-N109 PolarHBondContact O-ND2 3.29Å; I106-N109 PolarHBondContact O-N 3.03Å; Q107-N109 PolarHBondContact O-N 3.43Å; N109-T111 PolarHBondContact O-N 3.42Å; N109-T111 VanDerWaalsContact O-N 3.11Å; N109-L112 WeakPolarHBondContact O-CB 3.33Å; N109-L112 PolarHBondContact O-N 3.05Å
110Q97.2Very high97.2Very high92 Ų9250.5 Ų50.543%0.4329%0.285SS..G310 helixtrans-57.2-32.6-171.9-174.163.74900113.4I106 Q107 L112 I113I106-Q110 WeakPolarHBondContact O-CB 3.43Å; I106-Q110 PolarHBondContact O-N 3.46Å; Q107-Q110 PolarHBondContact O-N 3.19Å; Q110-L112 PolarHBondContact O-N 3.46Å; Q110-I113 PolarHBondContact O-N 2.83Å
111T97.8Very high97.4Very high125 Ų12549.8 Ų49.877%0.76727%0.273SS*.G310 helixtrans-70.9-18.3-178.955.70000113.6N109 I113N109-T111 PolarHBondContact O-N 3.42Å; N109-T111 VanDerWaalsContact O-N 3.11Å; T111-I113 VanDerWaalsContact C-N 3.33Å
112L98.1Very high97.6Very high41 Ų4153 Ų5322%0.21529%0.292CS..G310 helixtrans-83.2-13.2177.1-57.8178.1000112.5C22 V23 L24 T85 N109 Q110C22-L112 HydrophobicContact CB-CD2 4.15Å; V23-L112 WeakPolarHBondContact O-CD1 3.37Å; L24-L112 HydrophobicContact CD2-CD1 4Å; T85-L112 HydrophobicContact CG2-CB 3.81Å; N109-L112 WeakPolarHBondContact O-CB 3.33Å; N109-L112 PolarHBondContact O-N 3.05Å; Q110-L112 PolarHBondContact O-N 3.46Å
113I97.6Very high97.6Very high17 Ų1753.3 Ų53.39%0.08729%0.294CS..  trans-92.4104.6-179-56.7172.9000108.4L81 A84 T85 Q110 T111 G116 I118L81-I113 HydrophobicContact CD2-CD1 4.14Å; A84-I113 HydrophobicContact CB-CD1 3.92Å; A84-I113 HydrophobicContact CB-CG1 4.22Å; A84-I113 HydrophobicContact CB-CG2 4.43Å; T85-I113 HydrophobicContact CG2-CG1 3.88Å; Q110-I113 PolarHBondContact O-N 2.83Å; T111-I113 VanDerWaalsContact C-N 3.33Å; I113-G116 VanDerWaalsContact CG2-C 3.43Å; I113-G116 VanDerWaalsContact CG2-O 3.3Å; I113-G116 WeakPolarHBondContact CG2-O 3.44Å; I113-I118 HydrophobicContact CD1-CB 4.2Å; I113-I118 HydrophobicContact CD1-CG2 3.39Å
114Q92.6Very high97.7Very high183 Ų18355.1 Ų55.186%0.85530%0.298SS*.SBendtrans-96.7-57.8-177.8-61.9-177.89.300112.7
115S94.3Very high97.8Very high73 Ų7356.6 Ų56.651%0.5130%0.303SS..SBendtrans-104.4-12.2-175.6540000114.2G87G87-S115 WeakPolarHBondContact CA-OG 3.36Å
116G98Very high97.8Very high14 Ų1458.3 Ų58.314%0.14432%0.321CS..  trans-95.1-170.4177.200000113.1A88 I113A88-G116 CarbonylContact O-C 3.47Å; A88-G116 WeakPolarHBondContact O-CA 3.27Å; I113-G116 VanDerWaalsContact CG2-C 3.43Å; I113-G116 VanDerWaalsContact CG2-O 3.3Å; I113-G116 WeakPolarHBondContact CG2-O 3.44Å
117S98.8Very high97.7Very high52 Ų5262.2 Ų62.236%0.36434%0.339SS..EExtended strand (participates in β ladder)trans-151.3156.6170.960.90000109.9A88 H89 V90A88-S117 PolarHBondContact O-N 2.98Å; H89-S117 PolarHBondContact ND1-OG 3.33Å; V90-S117 PolarHBondContact N-O 3.48Å
118I98.8Very high97.7Very high20 Ų2061.9 Ų61.910%0.10334%0.341CS..EExtended strand (participates in β ladder)trans-141.1143.8174.3-169.3166.5000110.3L81 A84 V90 V92 I106 I113L81-I118 HydrophobicContact CB-CD1 4.41Å; L81-I118 HydrophobicContact CD2-CD1 3.73Å; L81-I118 HydrophobicContact CD2-CG2 4.3Å; L81-I118 HydrophobicContact CG-CD1 3.74Å; A84-I118 HydrophobicContact CB-CB 3.94Å; A84-I118 HydrophobicContact CB-CD1 4.42Å; V90-I118 HydrophobicContact CB-CB 4.43Å; V90-I118 HydrophobicContact CB-CG1 4.15Å; V90-I118 HydrophobicContact CG1-CG1 4.41Å; V90-I118 CarbonylContact O-C 3.52Å; V90-I118 VanDerWaalsContact O-CA 3.3Å; V90-I118 WeakPolarHBondContact O-CA 3.48Å; V92-I118 HydrophobicContact CG1-CD1 3.76Å; V92-I118 HydrophobicContact CG1-CG1 4.12Å; V92-I118 HydrophobicContact CG2-CD1 4.37Å; V92-I118 HydrophobicContact CG2-CG1 4.33Å; I106-I118 HydrophobicContact CB-CG2 4.35Å; I106-I118 HydrophobicContact CD1-CD1 4.42Å; I106-I118 HydrophobicContact CD1-CG1 4.09Å; I106-I118 HydrophobicContact CD1-CG2 4.39Å; I106-I118 HydrophobicContact CG1-CD1 4.04Å; I106-I118 HydrophobicContact CG1-CG1 4.11Å; I106-I118 HydrophobicContact CG1-CG2 3.92Å; I106-I118 HydrophobicContact CG2-CG2 3.68Å; I113-I118 HydrophobicContact CD1-CB 4.2Å; I113-I118 HydrophobicContact CD1-CG2 3.39Å
119S98.7Very high97.7Very high55 Ų5558.7 Ų58.739%0.38533%0.326SS..EExtended strand (participates in β ladder)trans-146.5151.9169.859.10000110.1V90 I91 V92V90-S119 PolarHBondContact O-N 3.07Å; I91-S119 WeakPolarHBondContact CA-O 3.41Å; V92-S119 WeakPolarHBondContact CG2-O 3.49Å; V92-S119 PolarHBondContact N-O 3.16Å
120A98.6Very high97.7Very high20 Ų2061.8 Ų61.817%0.16535%0.348CS..EExtended strand (participates in β ladder)trans-95.8140.4175.400000110.8V92 L102 I106V92-A120 HydrophobicContact CG2-CB 4.11Å; V92-A120 WeakPolarHBondContact O-CA 3.5Å; L102-A120 HydrophobicContact CB-CB 3.9Å; L102-A120 HydrophobicContact CD1-CB 4.23Å; I106-A120 HydrophobicContact CD1-CB 4.01Å
121K98.6Very high97.6Very high62 Ų6264.3 Ų64.327%0.2736%0.36SS..EExtended strand (participates in β ladder)trans-135.7153.1169.7-75.4-164.3172.5-160.70111.1I91 V92 T93 D94 Q99 E131 L132I91-K121 HydrophobicContact CG2-CB 3.93Å; I91-K121 HydrophobicContact CG2-CD 4.06Å; I91-K121 HydrophobicContact CG2-CG 3.89Å; V92-K121 PolarHBondContact O-N 3.03Å; T93-K121 VanDerWaalsContact CA-O 3.29Å; T93-K121 WeakPolarHBondContact CA-O 3.47Å; T93-K121 HydrophobicContact CG2-CB 4.41Å; D94-K121 PolarHBondContact N-O 2.9Å; Q99-K121 PolarHBondContact NE2-O 3.42Å; Q99-K121 VanDerWaalsContact NE2-O 3.08Å; Q99-K121 VanDerWaalsContact OE1-C 3.25Å; Q99-K121 PolarHBondContact OE1-O 3.39Å; K121-E131 PolarHBondContact NZ-O 2.72Å; K121-E131 IonicContact NZ-OE2 3.92Å; K121-E131 PolarHBondContact NZ-OE2 3.43Å; K121-L132 HydrophobicContact CD-CD2 4.01Å
122V98.6Very high97.6Very high73 Ų7359 Ų5944%0.44233%0.327SS..EExtended strand (participates in β ladder)trans-76.9128.6171.2-177.60000108.4D94 E96 Q99D94-V122 WeakPolarHBondContact O-CA 3.49Å; E96-V122 WeakPolarHBondContact OE2-CG2 3.45Å; Q99-V122 HydrophobicContact CG-CG2 3.54Å
123L98.6Very high97.5Very high8 Ų860.9 Ų60.94%0.04234%0.337CS..  trans-147.5112.7165.8-177.967.1000109.2L72 T93 D94 V129 L132 T157L72-L123 HydrophobicContact CD2-CD2 3.51Å; T93-L123 HydrophobicContact CG2-CB 4.18Å; D94-L123 PolarHBondContact O-N 3.01Å; L123-V129 HydrophobicContact CD1-CG1 4.09Å; L123-L132 HydrophobicContact CD1-CD1 4.45Å; L123-L132 HydrophobicContact CD2-CD1 3.73Å; L123-T157 HydrophobicContact CD2-CG2 3.93Å
124K98.1Very high97.5Very high109 Ų10965.4 Ų65.447%0.47437%0.367SS..  trans-89.4131163.5178.2168.6154.8-132.30108.9L95 E127L95-K124 HydrophobicContact CD2-CB 3.85Å; L95-K124 HydrophobicContact CD2-CD 4.21Å; L95-K124 HydrophobicContact CD2-CG 3.95Å; K124-E127 HydrophobicContact CB-CG 4.26Å; K124-E127 VanDerWaalsContact CD-OE1 3.3Å; K124-E127 WeakPolarHBondContact CD-OE1 3.49Å; K124-E127 WeakPolarHBondContact CE-OE1 3.16Å; K124-E127 HydrophobicContact CG-CG 4.42Å; K124-E127 IonicContact NZ-OE1 2.76Å; K124-E127 PolarHBondContact NZ-OE1 3.4Å; K124-E127 VanDerWaalsContact O-CB 3.3Å; K124-E127 WeakPolarHBondContact O-CB 3.43Å; K124-E127 PolarHBondContact O-N 3.4Å
125W98.5Very high97.8Very high40 Ų4059.5 Ų59.515%0.15235%0.345CS..THydrogen-bonded Turntrans-61.6146.4-175.9-53.5-29.7000112E127 C144 P153 L154 T157W125-E127 PolarHBondContact O-N 3.17Å; W125-C144 HydrophobicContact CH2-CB 3.61Å; W125-C144 HydrophobicContact CZ2-CB 3.97Å; W125-P153 HydrophobicContact CB-CB 4.01Å; W125-P153 WeakPolarHBondContact O-CB 3.15Å; W125-L154 HydrophobicContact CD2-CB 4.12Å; W125-L154 HydrophobicContact CD2-CD1 3.83Å; W125-L154 HydrophobicContact CD2-CG 4.48Å; W125-L154 HydrophobicContact CE3-CB 3.77Å; W125-L154 HydrophobicContact CE3-CD1 4.1Å; W125-L154 HydrophobicContact CE3-CD2 4.4Å; W125-L154 HydrophobicContact CE3-CG 4.31Å; W125-L154 HydrophobicContact CG-CB 4.47Å; W125-L154 HydrophobicContact CG-CD1 4.24Å; W125-L154 HydrophobicContact CH2-CD1 4.44Å; W125-L154 HydrophobicContact CH2-CD2 4.46Å; W125-L154 HydrophobicContact CZ2-CD1 4.18Å; W125-L154 HydrophobicContact CZ3-CB 4.32Å; W125-L154 HydrophobicContact CZ3-CD1 4.39Å; W125-L154 HydrophobicContact CZ3-CD2 4.16Å; W125-T157 WeakPolarHBondContact CA-OG1 3.13Å
126G97.9Very high98Very high36 Ų3656.2 Ų56.237%0.37132%0.322SS..THydrogen-bonded Turntrans79.4-5.2-172.200000115.1P153 T157G126-P153 PolarHBondContact N-O 3.25Å; G126-T157 PolarHBondContact N-OG1 2.94Å
127E97.8Very high98Very high95 Ų9559 Ų5944%0.44433%0.331SS..SBendtrans-93.6179.3175.9-56.3-173.8179.900111.6K124 W125K124-E127 HydrophobicContact CB-CG 4.26Å; K124-E127 VanDerWaalsContact CD-OE1 3.3Å; K124-E127 WeakPolarHBondContact CD-OE1 3.49Å; K124-E127 WeakPolarHBondContact CE-OE1 3.16Å; K124-E127 HydrophobicContact CG-CG 4.42Å; K124-E127 IonicContact NZ-OE1 2.76Å; K124-E127 PolarHBondContact NZ-OE1 3.4Å; K124-E127 VanDerWaalsContact O-CB 3.3Å; K124-E127 WeakPolarHBondContact O-CB 3.43Å; K124-E127 PolarHBondContact O-N 3.4Å; W125-E127 PolarHBondContact O-N 3.17Å
128D97.2Very high98.1Very high110 Ų11058 Ų5859%0.58832%0.319SS*.  trans-63.6133-173.1179.335.4000112.8S130D128-S130 VanDerWaalsContact CG-OG 3.32Å; D128-S130 WeakPolarHBondContact OD1-CB 3.3Å; D128-S130 PolarHBondContact OD1-N 3.36Å; D128-S130 PolarHBondContact OD1-OG 2.79Å; D128-S130 WeakPolarHBondContact OD2-CB 3.37Å; D128-S130 PolarHBondContact OD2-OG 2.75Å
129V98.2Very high98.1Very high5 Ų557 Ų573%0.0331%0.314CS..  trans-1118.3-179.6-550000113.1L123 E131 L132 T157 Q160 L161L123-V129 HydrophobicContact CD1-CG1 4.09Å; V129-E131 PolarHBondContact O-N 3.08Å; V129-E131 VanDerWaalsContact O-N 3.07Å; V129-L132 WeakPolarHBondContact O-CB 3.31Å; V129-L132 PolarHBondContact O-N 3.1Å; V129-T157 HydrophobicContact CG1-CG2 4.13Å; V129-Q160 HydrophobicContact CG1-CB 4.43Å; V129-Q160 HydrophobicContact CG2-CB 3.48Å; V129-Q160 VanDerWaalsContact CG2-CB 3.48Å; V129-L161 HydrophobicContact CB-CD2 3.65Å; V129-L161 HydrophobicContact CB-CG 3.98Å; V129-L161 HydrophobicContact CG1-CD1 4.49Å; V129-L161 HydrophobicContact CG1-CD2 4.15Å; V129-L161 HydrophobicContact CG1-CG 3.96Å; V129-L161 HydrophobicContact CG2-CD2 3.98Å; V129-L161 HydrophobicContact CG2-CG 4.19Å
130S97.1Very high98.1Very high68 Ų6854.4 Ų54.448%0.47630%0.296SS..G310 helixtrans-52.3-35.4-173.2-650000113.8D128 L132 L133D128-S130 VanDerWaalsContact CG-OG 3.32Å; D128-S130 WeakPolarHBondContact OD1-CB 3.3Å; D128-S130 PolarHBondContact OD1-N 3.36Å; D128-S130 PolarHBondContact OD1-OG 2.79Å; D128-S130 WeakPolarHBondContact OD2-CB 3.37Å; D128-S130 PolarHBondContact OD2-OG 2.75Å; S130-L132 PolarHBondContact O-N 3.08Å; S130-L133 PolarHBondContact O-N 2.76Å
131E96Very high98.1Very high145 Ų14553.5 Ų53.568%0.67829%0.288SS*.G310 helixtrans-76.2-6.1179.3-58.5-163.5173.300115.4K121 V129K121-E131 PolarHBondContact NZ-O 2.72Å; K121-E131 IonicContact NZ-OE2 3.92Å; K121-E131 PolarHBondContact NZ-OE2 3.43Å; V129-E131 PolarHBondContact O-N 3.08Å; V129-E131 VanDerWaalsContact O-N 3.07Å
132L97.9Very high98.1Very high14 Ų1451 Ų517%0.07328%0.28CS..G310 helixtrans-105.35.2178.4-57.2175.3000111.4V70 I91 T93 K121 L123 V129 S130 L161V70-L132 HydrophobicContact CG1-CD1 4.29Å; V70-L132 HydrophobicContact CG2-CB 4.49Å; I91-L132 HydrophobicContact CB-CD2 4.35Å; I91-L132 HydrophobicContact CD1-CD2 3.91Å; I91-L132 HydrophobicContact CG2-CD2 3.75Å; T93-L132 HydrophobicContact CG2-CD1 4.21Å; T93-L132 HydrophobicContact CG2-CD2 4.37Å; K121-L132 HydrophobicContact CD-CD2 4.01Å; L123-L132 HydrophobicContact CD1-CD1 4.45Å; L123-L132 HydrophobicContact CD2-CD1 3.73Å; V129-L132 WeakPolarHBondContact O-CB 3.31Å; V129-L132 PolarHBondContact O-N 3.1Å; S130-L132 PolarHBondContact O-N 3.08Å; L132-L161 HydrophobicContact CB-CD2 3.51Å; L132-L161 HydrophobicContact CD1-CD1 4.49Å; L132-L161 HydrophobicContact CD1-CD2 3.97Å; L132-L161 HydrophobicContact CG-CD2 4.39Å
133L96.1Very high98Very high80 Ų8048.2 Ų48.242%0.41926%0.262SS..PPolyproline II helixtrans-92.8154.7177-64.1179000111.6S130 P135S130-L133 PolarHBondContact O-N 2.76Å; L133-P135 HydrophobicContact CD2-CG 4.23Å
134P97.9Very high97.9Very high112 Ų11248 Ų4873%0.72726%0.261SS*.SBendcis-65.8163.63.330.6-37.6000113.2
135P98.3Very high97.8Very high59 Ų5943.2 Ų43.238%0.38324%0.241SC..PPolyproline II helixtrans-46.4129.7-178.8-32.638.2000112.9L133 L161L133-P135 HydrophobicContact CD2-CG 4.23Å; P135-L161 WeakPolarHBondContact CA-O 3.45Å; P135-L161 VanDerWaalsContact CB-O 3.26Å; P135-L161 WeakPolarHBondContact CB-O 3.25Å
136P98.6Very high97.4Very high4 Ų444.6 Ų44.63%0.02625%0.246CC..PPolyproline II helixtrans-69.3158.7-179.831.5-36.6000110.3T68 V70 Y138 I139 L161 T166T68-P136 WeakPolarHBondContact OG1-CA 3.35Å; V70-P136 HydrophobicContact CB-CG 4.13Å; V70-P136 HydrophobicContact CG2-CB 3.96Å; V70-P136 HydrophobicContact CG2-CG 3.82Å; P136-Y138 VanDerWaalsContact C-N 3.26Å; P136-Y138 WeakPolarHBondContact CB-O 3.44Å; P136-Y138 WeakPolarHBondContact CG-O 3.37Å; P136-Y138 PolarHBondContact O-N 3.41Å; P136-I139 HydrophobicContact CG-CD1 4.47Å; P136-I139 HydrophobicContact CG-CG1 3.74Å; P136-L161 WeakPolarHBondContact CD-O 3.46Å; P136-T166 WeakPolarHBondContact O-CB 3.46Å; P136-T166 WeakPolarHBondContact O-CG2 3.5Å; P136-T166 PolarHBondContact O-OG1 3.4Å
137H98.8Very high97Very high72 Ų7247.5 Ų47.533%0.33325%0.247SC..SBendtrans-63.8-38.5172-64.894.1000110.7R67 T68 S167R67-H137 HydrophobicContact CB-CB 4.25Å; R67-H137 PolarHBondContact NH1-CD2 3.3Å; R67-H137 PolarHBondContact NH1-NE2 3.09Å; T68-H137 PolarHBondContact N-ND1 2.64Å; T68-H137 VanDerWaalsContact N-ND1 3.18Å; T68-H137 WeakPolarHBondContact O-CB 3.43Å; T68-H137 PolarHBondContact O-N 3.41Å; T68-H137 PolarHBondContact OG1-N 3.16Å; T68-H137 VanDerWaalsContact OG1-N 3.16Å; T68-H137 PolarHBondContact OG1-ND1 2.98Å; H137-S167 PolarHBondContact O-N 3.18Å
138Y98.9Very high96.7Very high31 Ų3146.7 Ų46.712%0.12224%0.243CC..EExtended strand (participates in β ladder)trans-129.2143.6176.4-64.4-96.8000112.7W64 R67 T68 V69 V70 P136 S167 I169W64-Y138 HydrophobicContact CE3-CD2 4.5Å; W64-Y138 HydrophobicContact CH2-CD1 4.3Å; W64-Y138 HydrophobicContact CH2-CE1 4.36Å; W64-Y138 HydrophobicContact CZ3-CD1 4.04Å; W64-Y138 AromaticContact CZ3-CD2 3.97Å; W64-Y138 HydrophobicContact CZ3-CD2 3.97Å; W64-Y138 HydrophobicContact CZ3-CE1 4.26Å; W64-Y138 HydrophobicContact CZ3-CE2 4.18Å; W64-Y138 AromaticContact CZ3-CG 3.91Å; W64-Y138 HydrophobicContact CZ3-CG 3.91Å; R67-Y138 HydrophobicContact CB-CD2 4.27Å; R67-Y138 HydrophobicContact CB-CE2 4.32Å; R67-Y138 HydrophobicContact CG-CE2 4.13Å; T68-Y138 PolarHBondContact O-N 2.96Å; V69-Y138 WeakPolarHBondContact CA-O 3.44Å; V70-Y138 PolarHBondContact N-O 3.26Å; P136-Y138 VanDerWaalsContact C-N 3.26Å; P136-Y138 WeakPolarHBondContact CB-O 3.44Å; P136-Y138 WeakPolarHBondContact CG-O 3.37Å; P136-Y138 PolarHBondContact O-N 3.41Å; Y138-S167 CarbonylContact C-O 3.59Å; Y138-S167 WeakPolarHBondContact CA-O 3.43Å; Y138-I169 HydrophobicContact CD1-CD1 4.05Å; Y138-I169 HydrophobicContact CD1-CG1 4.35Å; Y138-I169 HydrophobicContact CE1-CD1 4.26Å
139I98.9Very high96.5Very high0 Ų048.4 Ų48.40%025%0.248CC..EExtended strand (participates in β ladder)trans-113.2129.9159.1-56171.6000106.3V70 L72 P136 L158 L161 T166 S167 I168 I169V70-I139 CarbonylContact O-C 3.55Å; V70-I139 VanDerWaalsContact O-CA 3.27Å; V70-I139 WeakPolarHBondContact O-CA 3.26Å; L72-I139 HydrophobicContact CD1-CG2 3.81Å; L72-I139 HydrophobicContact CG-CG2 3.92Å; P136-I139 HydrophobicContact CG-CD1 4.47Å; P136-I139 HydrophobicContact CG-CG1 3.74Å; I139-L158 HydrophobicContact CD1-CD2 4.39Å; I139-L158 HydrophobicContact CG2-CD2 3.95Å; I139-L161 HydrophobicContact CD1-CB 3.52Å; I139-L161 HydrophobicContact CD1-CD1 4.34Å; I139-T166 HydrophobicContact CD1-CG2 3.9Å; I139-T166 HydrophobicContact CG1-CG2 3.81Å; I139-S167 PolarHBondContact N-O 2.93Å; I139-I168 HydrophobicContact CB-CG1 4.08Å; I139-I168 HydrophobicContact CB-CG2 4.39Å; I139-I168 HydrophobicContact CD1-CD1 4.49Å; I139-I168 HydrophobicContact CD1-CG1 4.13Å; I139-I168 HydrophobicContact CG1-CG1 4.43Å; I139-I168 CarbonylContact O-C 3.6Å; I139-I168 VanDerWaalsContact O-CA 3.28Å; I139-I168 WeakPolarHBondContact O-CA 3.49Å; I139-I169 PolarHBondContact O-N 3.01Å
140I98.9Very high96.3Very high0 Ų049.9 Ų49.90%026%0.258CS..EExtended strand (participates in β ladder)trans-118.6145.8176.160.1173.9000109.8V69 V70 E71 L72 V79 I169V69-I140 HydrophobicContact CG1-CD1 3.8Å; V69-I140 HydrophobicContact CG1-CG1 3.8Å; V69-I140 HydrophobicContact CG1-CG2 4.19Å; V70-I140 PolarHBondContact O-N 2.95Å; E71-I140 VanDerWaalsContact CA-O 3.31Å; E71-I140 WeakPolarHBondContact CA-O 3.45Å; E71-I140 HydrophobicContact CB-CD1 3.99Å; E71-I140 HydrophobicContact CB-CG1 3.65Å; E71-I140 HydrophobicContact CG-CD1 4.19Å; E71-I140 HydrophobicContact CG-CG1 3.89Å; L72-I140 PolarHBondContact N-O 3.44Å; V79-I140 HydrophobicContact CB-CD1 4.18Å; V79-I140 HydrophobicContact CG1-CD1 3.78Å; I140-I169 WeakPolarHBondContact CA-O 3.39Å; I140-I169 HydrophobicContact CG2-CB 4.29Å
141M98.6Very high96.4Very high0 Ų046.6 Ų46.60%024%0.235CC..EExtended strand (participates in β ladder)trans-152.4131.7178.656-173.3-68.600109.4L72 C144 I145 L154 L158 I169 C170 C171 F187L72-M141 HydrophobicContact CB-CB 4.41Å; M141-C144 HydrophobicContact CB-CB 4.43Å; M141-C144 HydrophobicContact CE-CB 3.58Å; M141-I145 HydrophobicContact CE-CG1 4.43Å; M141-L154 HydrophobicContact CE-CD1 4.11Å; M141-L154 HydrophobicContact CE-CD2 3.74Å; M141-L154 HydrophobicContact CE-CG 4.3Å; M141-L158 HydrophobicContact SD-CD1 4.29Å; M141-L158 HydrophobicContact SD-CD2 4.25Å; M141-I169 PolarHBondContact N-O 3.41Å; M141-I169 VanDerWaalsContact N-O 3.07Å; M141-C170 HydrophobicContact CG-CB 3.64Å; M141-C170 WeakPolarHBondContact O-CA 3.23Å; M141-C170 HydrophobicContact SD-CB 3.87Å; M141-C171 PolarHBondContact O-N 3.36Å; M141-F187 HydrophobicContact CE-CZ 4.47Å
142A98.5Very high96.5Very high11 Ų1141.2 Ų41.29%0.09122%0.218CC..EExtended strand (participates in β ladder)trans-119.4126176.500000109.6A42 L45 V79 C144 C171A42-A142 HydrophobicContact CB-CB 3.8Å; L45-A142 HydrophobicContact CD2-CB 4.15Å; V79-A142 HydrophobicContact CG2-CB 4.01Å; A142-C144 PolarHBondContact O-N 2.8Å; A142-C144 VanDerWaalsContact O-N 3.16Å; A142-C144 PolarHBondContact O-SG 2.67Å; A142-C144 VanDerWaalsContact O-SG 3.41Å; A142-C171 CarbonylContact C-O 3.49Å; A142-C171 WeakPolarHBondContact CA-O 3.39Å
143D96.5Very high96.5Very high14 Ų1442.8 Ų42.88%0.07523%0.229CC..SBendtrans55.430.8173.9-14220.1000116.3W39 A41 I145 Y146 C171 E173 R175W39-D143 HydrophobicContact CB-CB 4.41Å; A41-D143 HydrophobicContact CB-CB 4.03Å; D143-I145 VanDerWaalsContact C-N 3.28Å; D143-I145 PolarHBondContact O-N 2.86Å; D143-Y146 VanDerWaalsContact O-CD1 3.29Å; D143-Y146 WeakPolarHBondContact O-CD1 3.31Å; D143-C171 PolarHBondContact N-O 2.96Å; D143-E173 PolarHBondContact OD1-N 2.84Å; D143-R175 IonicContact OD1-CZ 3.42Å; D143-R175 IonicContact OD1-NH1 2.75Å; D143-R175 PolarHBondContact OD1-NH1 3.31Å; D143-R175 IonicContact OD1-NH2 3.5Å; D143-R175 PolarHBondContact OD1-NH2 3.36Å; D143-R175 IonicContact OD2-CZ 3.47Å; D143-R175 IonicContact OD2-NH1 2.72Å; D143-R175 PolarHBondContact OD2-NH1 3.02Å; D143-R175 IonicContact OD2-NH2 3.38Å; D143-R175 PolarHBondContact OD2-NH2 3.32Å
144C96.7Very high96.6Very high4 Ų439 Ų393%0.02721%0.209CC..  trans-82.83-177.5-68.90000114.5L72 W125 M141 A142 L154L72-C144 PolarHBondContact O-SG 2.93Å; W125-C144 HydrophobicContact CH2-CB 3.61Å; W125-C144 HydrophobicContact CZ2-CB 3.97Å; M141-C144 HydrophobicContact CB-CB 4.43Å; M141-C144 HydrophobicContact CE-CB 3.58Å; A142-C144 PolarHBondContact O-N 2.8Å; A142-C144 VanDerWaalsContact O-N 3.16Å; A142-C144 PolarHBondContact O-SG 2.67Å; A142-C144 VanDerWaalsContact O-SG 3.41Å; C144-L154 HydrophobicContact CB-CD2 4.19Å
145I96.1Very high96.7Very high8 Ų834 Ų344%0.04118%0.177CC..  trans-109.878.9-173.1-51.1166.9000109.5M141 D143 I151 Y172 V183 F187M141-I145 HydrophobicContact CE-CG1 4.43Å; D143-I145 VanDerWaalsContact C-N 3.28Å; D143-I145 PolarHBondContact O-N 2.86Å; I145-I151 HydrophobicContact CG2-CD1 4Å; I145-Y172 HydrophobicContact CD1-CD1 4.06Å; I145-Y172 HydrophobicContact CD1-CD2 4.39Å; I145-Y172 HydrophobicContact CD1-CG 3.9Å; I145-V183 HydrophobicContact CG2-CG1 4.28Å; I145-F187 HydrophobicContact CD1-CD1 3.48Å; I145-F187 VanDerWaalsContact CD1-CD1 3.48Å; I145-F187 HydrophobicContact CD1-CE1 3.41Å; I145-F187 VanDerWaalsContact CD1-CE1 3.41Å; I145-F187 HydrophobicContact CD1-CE2 4.49Å; I145-F187 HydrophobicContact CD1-CG 4.07Å; I145-F187 HydrophobicContact CD1-CZ 3.96Å; I145-F187 HydrophobicContact CG1-CD1 4.08Å; I145-F187 HydrophobicContact CG1-CD2 4.33Å; I145-F187 HydrophobicContact CG1-CE1 4.17Å; I145-F187 HydrophobicContact CG1-CE2 4.43Å; I145-F187 HydrophobicContact CG1-CG 4.16Å; I145-F187 HydrophobicContact CG1-CZ 4.34Å; I145-F187 HydrophobicContact CG2-CB 3.85Å; I145-F187 HydrophobicContact CG2-CD1 4.33Å; I145-F187 HydrophobicContact CG2-CG 4.07Å
146Y90.8Very high96.7Very high68 Ų6834.4 Ų34.427%0.26717%0.174SC..  trans-150.5-27.9-175.169.5-73.2000115V34 D143V34-Y146 HydrophobicContact CG2-CE2 3.9Å; D143-Y146 VanDerWaalsContact O-CD1 3.29Å; D143-Y146 WeakPolarHBondContact O-CD1 3.31Å
147Y89.9Confident96.7Very high97 Ų9734.2 Ų34.238%0.3817%0.172SC..  trans-103.5121.4173.3-70.9-46.7000112.6Q149 S150 I151Y147-Q149 VanDerWaalsContact C-N 3.29Å; Y147-Q149 PolarHBondContact O-N 2.84Å; Y147-S150 WeakPolarHBondContact O-CB 3.28Å; Y147-S150 PolarHBondContact O-N 2.88Å; Y147-I151 PolarHBondContact O-N 2.91Å
148E90.9Very high96.7Very high78 Ų7830.8 Ų30.836%0.36416%0.157SC..Hα-helixtrans-59.1-36.8-173.8-154.9-147.9142.800113.9S150 V183 K186E148-S150 VanDerWaalsContact C-N 3.25Å; E148-S150 PolarHBondContact O-N 3.07Å; E148-V183 HydrophobicContact CB-CG2 3.76Å; E148-V183 HydrophobicContact CG-CG2 3.99Å; E148-K186 HydrophobicContact CG-CD 4.01Å; E148-K186 PolarHBondContact O-NZ 2.98Å; E148-K186 IonicContact OE1-NZ 3.59Å; E148-K186 PolarHBondContact OE1-NZ 3.23Å
149Q93.4Very high96.6Very high147 Ų14732 Ų3269%0.68716%0.163SC*.Hα-helixtrans-70.9-24.8-179.8-60.780.44.400111.8Y147 P153Y147-Q149 VanDerWaalsContact C-N 3.29Å; Y147-Q149 PolarHBondContact O-N 2.84Å; Q149-P153 VanDerWaalsContact O-CD 3.27Å; Q149-P153 WeakPolarHBondContact O-CD 3.35Å
150S94.3Very high96.6Very high35 Ų3535.3 Ų35.325%0.24518%0.178CC..Hα-helixtrans-84.6-19.2-177.9-57.70000113Y147 E148 G152 P153 L154Y147-S150 WeakPolarHBondContact O-CB 3.28Å; Y147-S150 PolarHBondContact O-N 2.88Å; E148-S150 VanDerWaalsContact C-N 3.25Å; E148-S150 PolarHBondContact O-N 3.07Å; S150-G152 PolarHBondContact O-N 2.88Å; S150-P153 WeakPolarHBondContact O-CD 3.39Å; S150-L154 WeakPolarHBondContact O-CB 3.18Å; S150-L154 PolarHBondContact O-N 3.31Å
151I97.8Very high96.6Very high0 Ų035.3 Ų35.30%018%0.178CC..Hα-helixtrans-62.2-46.6-174.3-63.6-48.2000113.4I145 Y147 L154 V155 V183 K186 F187 L190I145-I151 HydrophobicContact CG2-CD1 4Å; Y147-I151 PolarHBondContact O-N 2.91Å; I151-L154 PolarHBondContact O-N 2.82Å; I151-V155 WeakPolarHBondContact O-CG2 3.48Å; I151-V155 PolarHBondContact O-N 2.82Å; I151-V155 VanDerWaalsContact O-N 3.12Å; I151-V183 HydrophobicContact CD1-CG1 3.68Å; I151-V183 HydrophobicContact CG1-CG1 3.66Å; I151-K186 HydrophobicContact CG2-CB 4.49Å; I151-K186 HydrophobicContact CG2-CD 4.49Å; I151-K186 HydrophobicContact CG2-CG 4.14Å; I151-F187 HydrophobicContact CD1-CB 4.16Å; I151-F187 HydrophobicContact CD1-CD2 4.46Å; I151-F187 VanDerWaalsContact CG2-CA 3.42Å; I151-F187 HydrophobicContact CG2-CB 3.8Å; I151-F187 HydrophobicContact CG2-CD2 4.27Å; I151-L190 HydrophobicContact CG2-CD1 4.11Å
152G98.3Very high96.5Very high31 Ų3135.4 Ų35.432%0.3218%0.178SC..Hα-helixtrans-60.8-54.9177.100000112.4S150 L154 V155 E156S150-G152 PolarHBondContact O-N 2.88Å; G152-L154 VanDerWaalsContact C-N 3.34Å; G152-L154 PolarHBondContact O-N 3.25Å; G152-V155 PolarHBondContact O-N 3.49Å; G152-E156 PolarHBondContact O-N 3.44Å; G152-E156 VanDerWaalsContact O-N 3.1Å
153P98.6Very high96.4Very high47 Ų4735.2 Ų35.231%0.30518%0.178SC..Hα-helixtrans-55.5-41.4175-28.135.2000114.4W125 G126 Q149 S150 E156 T157W125-P153 HydrophobicContact CB-CB 4.01Å; W125-P153 WeakPolarHBondContact O-CB 3.15Å; G126-P153 PolarHBondContact N-O 3.25Å; Q149-P153 VanDerWaalsContact O-CD 3.27Å; Q149-P153 WeakPolarHBondContact O-CD 3.35Å; S150-P153 WeakPolarHBondContact O-CD 3.39Å; P153-E156 PolarHBondContact O-N 2.99Å; P153-T157 PolarHBondContact O-N 3.48Å; P153-T157 PolarHBondContact O-OG1 2.84Å
154L98.6Very high96.4Very high0 Ų039.7 Ų39.70%021%0.207CC..Hα-helixtrans-60.5-49.4177.6175.359.2000112.1L72 W125 M141 C144 S150 I151 G152 E156 T157 L158 F187L72-L154 HydrophobicContact CD1-CD1 4.12Å; W125-L154 HydrophobicContact CD2-CB 4.12Å; W125-L154 HydrophobicContact CD2-CD1 3.83Å; W125-L154 HydrophobicContact CD2-CG 4.48Å; W125-L154 HydrophobicContact CE3-CB 3.77Å; W125-L154 HydrophobicContact CE3-CD1 4.1Å; W125-L154 HydrophobicContact CE3-CD2 4.4Å; W125-L154 HydrophobicContact CE3-CG 4.31Å; W125-L154 HydrophobicContact CG-CB 4.47Å; W125-L154 HydrophobicContact CG-CD1 4.24Å; W125-L154 HydrophobicContact CH2-CD1 4.44Å; W125-L154 HydrophobicContact CH2-CD2 4.46Å; W125-L154 HydrophobicContact CZ2-CD1 4.18Å; W125-L154 HydrophobicContact CZ3-CB 4.32Å; W125-L154 HydrophobicContact CZ3-CD1 4.39Å; W125-L154 HydrophobicContact CZ3-CD2 4.16Å; M141-L154 HydrophobicContact CE-CD1 4.11Å; M141-L154 HydrophobicContact CE-CD2 3.74Å; M141-L154 HydrophobicContact CE-CG 4.3Å; C144-L154 HydrophobicContact CB-CD2 4.19Å; S150-L154 WeakPolarHBondContact O-CB 3.18Å; S150-L154 PolarHBondContact O-N 3.31Å; I151-L154 PolarHBondContact O-N 2.82Å; G152-L154 VanDerWaalsContact C-N 3.34Å; G152-L154 PolarHBondContact O-N 3.25Å; L154-E156 VanDerWaalsContact C-N 3.26Å; L154-E156 PolarHBondContact O-N 2.92Å; L154-T157 PolarHBondContact O-N 3.03Å; L154-L158 WeakPolarHBondContact O-CG 3.37Å; L154-L158 PolarHBondContact O-N 3.4Å; L154-F187 HydrophobicContact CD2-CD2 4.4Å; L154-F187 HydrophobicContact CD2-CE2 4.11Å; L154-F187 HydrophobicContact CG-CE2 4.48Å
155V98.5Very high96.4Very high7 Ų747 Ų474%0.04224%0.241CC..Hα-helixtrans-63.4-35.6178.5174.70000111.1I151 G152 L158 K159 F187 L190I151-V155 WeakPolarHBondContact O-CG2 3.48Å; I151-V155 PolarHBondContact O-N 2.82Å; I151-V155 VanDerWaalsContact O-N 3.12Å; G152-V155 PolarHBondContact O-N 3.49Å; V155-L158 PolarHBondContact O-N 2.97Å; V155-K159 HydrophobicContact CG1-CD 4.42Å; V155-K159 WeakPolarHBondContact O-CG 3.3Å; V155-K159 PolarHBondContact O-N 2.88Å; V155-K159 VanDerWaalsContact O-N 3.08Å; V155-F187 HydrophobicContact CG2-CD2 3.86Å; V155-F187 HydrophobicContact CG2-CE2 3.92Å; V155-L190 HydrophobicContact CB-CB 4.42Å; V155-L190 HydrophobicContact CG1-CB 4.23Å; V155-L190 HydrophobicContact CG2-CB 4.04Å
156E98.5Very high96.6Very high69 Ų6946.9 Ų46.932%0.32224%0.241SC..Hα-helixtrans-66.3-44.1175.1-174.654.2-149.800112G152 P153 L154 L158 K159 Q160G152-E156 PolarHBondContact O-N 3.44Å; G152-E156 VanDerWaalsContact O-N 3.1Å; P153-E156 PolarHBondContact O-N 2.99Å; L154-E156 VanDerWaalsContact C-N 3.26Å; L154-E156 PolarHBondContact O-N 2.92Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.21Å; E156-K159 WeakPolarHBondContact O-CB 3.39Å; E156-K159 PolarHBondContact O-N 2.73Å; E156-K159 VanDerWaalsContact O-N 3.1Å; E156-K159 IonicContact OE2-NZ 3.43Å; E156-K159 PolarHBondContact OE2-NZ 3.12Å; E156-Q160 WeakPolarHBondContact O-CG 3.34Å; E156-Q160 PolarHBondContact O-N 3.03Å; E156-Q160 PolarHBondContact OE1-NE2 3.29Å
157T98.8Very high96.9Very high0 Ų043.8 Ų43.80%023%0.229CC..Hα-helixtrans-58.3-43.5172.6-69.80000112.1L72 L123 W125 G126 V129 P153 L154 K159 Q160 L161L72-T157 HydrophobicContact CD1-CG2 4Å; L72-T157 HydrophobicContact CD2-CG2 3.92Å; L123-T157 HydrophobicContact CD2-CG2 3.93Å; W125-T157 WeakPolarHBondContact CA-OG1 3.13Å; G126-T157 PolarHBondContact N-OG1 2.94Å; V129-T157 HydrophobicContact CG1-CG2 4.13Å; P153-T157 PolarHBondContact O-N 3.48Å; P153-T157 PolarHBondContact O-OG1 2.84Å; L154-T157 PolarHBondContact O-N 3.03Å; T157-K159 VanDerWaalsContact C-N 3.29Å; T157-K159 PolarHBondContact O-N 2.87Å; T157-Q160 PolarHBondContact O-N 3.49Å; T157-L161 HydrophobicContact CG2-CD1 3.74Å; T157-L161 HydrophobicContact CG2-CG 4.36Å; T157-L161 WeakPolarHBondContact O-CB 3.32Å; T157-L161 PolarHBondContact O-N 3.29Å
158L98.6Very high97.3Very high0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-57.9-41.6174.6-68.9176000111.6L72 I139 M141 L154 V155 E156 S162 I168 F187 L191 F195L72-L158 HydrophobicContact CD1-CD2 3.63Å; L72-L158 HydrophobicContact CD1-CG 4.37Å; I139-L158 HydrophobicContact CD1-CD2 4.39Å; I139-L158 HydrophobicContact CG2-CD2 3.95Å; M141-L158 HydrophobicContact SD-CD1 4.29Å; M141-L158 HydrophobicContact SD-CD2 4.25Å; L154-L158 WeakPolarHBondContact O-CG 3.37Å; L154-L158 PolarHBondContact O-N 3.4Å; V155-L158 PolarHBondContact O-N 2.97Å; E156-L158 VanDerWaalsContact C-N 3.34Å; E156-L158 PolarHBondContact O-N 3.21Å; L158-S162 WeakPolarHBondContact O-CB 3.39Å; L158-S162 PolarHBondContact O-N 3.1Å; L158-S162 PolarHBondContact O-OG 3.37Å; L158-I168 HydrophobicContact CD2-CD1 4.23Å; L158-I168 HydrophobicContact CD2-CG2 4.15Å; L158-F187 HydrophobicContact CD1-CE2 4.45Å; L158-L191 HydrophobicContact CD1-CD1 4.1Å; L158-F195 HydrophobicContact CB-CE2 4.32Å; L158-F195 HydrophobicContact CB-CZ 3.97Å
159K98.1Very high97.7Very high57 Ų5735.5 Ų35.525%0.24819%0.194CC..Hα-helixtrans-66.5-38.2178.3-71.1166.461.6-149.10113.1V155 E156 T157 N194 F195 R221V155-K159 HydrophobicContact CG1-CD 4.42Å; V155-K159 WeakPolarHBondContact O-CG 3.3Å; V155-K159 PolarHBondContact O-N 2.88Å; V155-K159 VanDerWaalsContact O-N 3.08Å; E156-K159 WeakPolarHBondContact O-CB 3.39Å; E156-K159 PolarHBondContact O-N 2.73Å; E156-K159 VanDerWaalsContact O-N 3.1Å; E156-K159 IonicContact OE2-NZ 3.43Å; E156-K159 PolarHBondContact OE2-NZ 3.12Å; T157-K159 VanDerWaalsContact C-N 3.29Å; T157-K159 PolarHBondContact O-N 2.87Å; K159-N194 HydrophobicContact CD-CB 4.28Å; K159-N194 WeakPolarHBondContact CD-OD1 3.42Å; K159-N194 VanDerWaalsContact CE-OD1 3.3Å; K159-N194 WeakPolarHBondContact CE-OD1 3.39Å; K159-N194 HydrophobicContact CG-CB 4.16Å; K159-F195 HydrophobicContact CB-CZ 4.41Å; K159-F195 HydrophobicContact CG-CE2 3.56Å; K159-F195 HydrophobicContact CG-CZ 3.77Å; K159-R221 PolarHBondContact O-NH1 3.37Å; K159-R221 VanDerWaalsContact O-NH1 3.08Å
160Q98.1Very high98Very high68 Ų6828.6 Ų28.632%0.31816%0.162SC..Hα-helixtrans-74.8-38-178.9-65.5178.620.200111.9V129 E156 T157V129-Q160 HydrophobicContact CG1-CB 4.43Å; V129-Q160 HydrophobicContact CG2-CB 3.48Å; V129-Q160 VanDerWaalsContact CG2-CB 3.48Å; E156-Q160 WeakPolarHBondContact O-CG 3.34Å; E156-Q160 PolarHBondContact O-N 3.03Å; E156-Q160 PolarHBondContact OE1-NE2 3.29Å; T157-Q160 PolarHBondContact O-N 3.49Å
161L98.2Very high98.2Very high0 Ų026.9 Ų26.90%015%0.15CC..Hα-helixtrans-77-35.5178.6-75.4174.4000113.5V70 L72 V129 L132 P135 P136 I139 T157V70-L161 HydrophobicContact CG1-CD1 4.17Å; L72-L161 HydrophobicContact CD1-CD1 4.47Å; L72-L161 HydrophobicContact CD2-CD1 3.87Å; V129-L161 HydrophobicContact CB-CD2 3.65Å; V129-L161 HydrophobicContact CB-CG 3.98Å; V129-L161 HydrophobicContact CG1-CD1 4.49Å; V129-L161 HydrophobicContact CG1-CD2 4.15Å; V129-L161 HydrophobicContact CG1-CG 3.96Å; V129-L161 HydrophobicContact CG2-CD2 3.98Å; V129-L161 HydrophobicContact CG2-CG 4.19Å; L132-L161 HydrophobicContact CB-CD2 3.51Å; L132-L161 HydrophobicContact CD1-CD1 4.49Å; L132-L161 HydrophobicContact CD1-CD2 3.97Å; L132-L161 HydrophobicContact CG-CD2 4.39Å; P135-L161 WeakPolarHBondContact CA-O 3.45Å; P135-L161 VanDerWaalsContact CB-O 3.26Å; P135-L161 WeakPolarHBondContact CB-O 3.25Å; P136-L161 WeakPolarHBondContact CD-O 3.46Å; I139-L161 HydrophobicContact CD1-CB 3.52Å; I139-L161 HydrophobicContact CD1-CD1 4.34Å; T157-L161 HydrophobicContact CG2-CD1 3.74Å; T157-L161 HydrophobicContact CG2-CG 4.36Å; T157-L161 WeakPolarHBondContact O-CB 3.32Å; T157-L161 PolarHBondContact O-N 3.29Å
162S97.9Very high98.2Very high2 Ų227.4 Ų27.41%0.01415%0.152CC..  trans-80.3128.7-171.859.80000113.4L158 F195 R221L158-S162 WeakPolarHBondContact O-CB 3.39Å; L158-S162 PolarHBondContact O-N 3.1Å; L158-S162 PolarHBondContact O-OG 3.37Å; S162-F195 WeakPolarHBondContact OG-CE1 3.21Å; S162-R221 PolarHBondContact O-NH1 2.61Å
163G96.9Very high98.2Very high7 Ų728.7 Ų28.77%0.07215%0.15CC..  trans-97.4-179.316600000111.7E165 T166G163-E165 VanDerWaalsContact C-N 3.25Å; G163-E165 PolarHBondContact O-N 3.42Å; G163-T166 PolarHBondContact N-OG1 2.88Å; G163-T166 PolarHBondContact O-N 3.35Å
164P96.1Very high98Very high108 Ų10830 Ų3070%0.70115%0.152SC*.THydrogen-bonded Turntrans-56.7-37.5178.4-25.635000113.5
165E96.7Very high97.8Very high159 Ų15932.4 Ų32.474%0.74316%0.161SC*.THydrogen-bonded Turntrans-90.7-7.1-177.2-59.5-55.8135.900113.9G163 S167 R220G163-E165 VanDerWaalsContact C-N 3.25Å; G163-E165 PolarHBondContact O-N 3.42Å; E165-S167 PolarHBondContact O-N 3.34Å; E165-R220 PolarHBondContact O-NH1 3.14Å
166T98.6Very high97.4Very high4 Ų437.5 Ų37.53%0.02519%0.192CC..PPolyproline II helixtrans-67.6130.5-177.1-60.50000110.4P136 I139 G163 I168 R220P136-T166 WeakPolarHBondContact O-CB 3.46Å; P136-T166 WeakPolarHBondContact O-CG2 3.5Å; P136-T166 PolarHBondContact O-OG1 3.4Å; I139-T166 HydrophobicContact CD1-CG2 3.9Å; I139-T166 HydrophobicContact CG1-CG2 3.81Å; G163-T166 PolarHBondContact N-OG1 2.88Å; G163-T166 PolarHBondContact O-N 3.35Å; T166-I168 HydrophobicContact CG2-CG1 4.29Å; T166-R220 WeakPolarHBondContact O-CD 3.33Å; T166-R220 PolarHBondContact O-NH1 2.85Å
167S98.4Very high97Very high4 Ų441.6 Ų41.63%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-101.9122.6172.2-161.80000109.7H137 Y138 I139 E165 R220H137-S167 PolarHBondContact O-N 3.18Å; Y138-S167 CarbonylContact C-O 3.59Å; Y138-S167 WeakPolarHBondContact CA-O 3.43Å; I139-S167 PolarHBondContact N-O 2.93Å; E165-S167 PolarHBondContact O-N 3.34Å; S167-R220 VanDerWaalsContact CB-NH2 3.34Å; S167-R220 PolarHBondContact OG-NE 2.99Å; S167-R220 PolarHBondContact OG-NH2 3.32Å
168I98.9Very high96.7Very high1 Ų145 Ų451%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-100.8126.4177-56.1165.1000107.6I139 L158 T166 F195 I219I139-I168 HydrophobicContact CB-CG1 4.08Å; I139-I168 HydrophobicContact CB-CG2 4.39Å; I139-I168 HydrophobicContact CD1-CD1 4.49Å; I139-I168 HydrophobicContact CD1-CG1 4.13Å; I139-I168 HydrophobicContact CG1-CG1 4.43Å; I139-I168 CarbonylContact O-C 3.6Å; I139-I168 VanDerWaalsContact O-CA 3.28Å; I139-I168 WeakPolarHBondContact O-CA 3.49Å; L158-I168 HydrophobicContact CD2-CD1 4.23Å; L158-I168 HydrophobicContact CD2-CG2 4.15Å; T166-I168 HydrophobicContact CG2-CG1 4.29Å; I168-F195 HydrophobicContact CD1-CD1 3.99Å; I168-F195 HydrophobicContact CD1-CE1 3.63Å; I168-F195 HydrophobicContact CD1-CZ 4.38Å; I168-I219 HydrophobicContact CB-CB 3.84Å; I168-I219 HydrophobicContact CB-CG2 4.27Å; I168-I219 WeakPolarHBondContact CB-O 3.3Å; I168-I219 HydrophobicContact CD1-CG2 4.03Å; I168-I219 HydrophobicContact CG2-CB 4.1Å; I168-I219 HydrophobicContact CG2-CD1 4.25Å; I168-I219 PolarHBondContact N-O 3.14Å; I168-I219 PolarHBondContact O-N 3.11Å
169I98.8Very high96.4Very high0 Ų048.9 Ų48.90%027%0.27CS..EExtended strand (participates in β ladder)trans-113113.3173.1-48.8177.1000107.8L45 Y48 L49 F54 W64 Y138 I139 I140 M141 I216 L217L45-I169 HydrophobicContact CD1-CG2 3.54Å; Y48-I169 HydrophobicContact CD1-CG2 4.37Å; Y48-I169 HydrophobicContact CE1-CG2 4.15Å; L49-I169 HydrophobicContact CD2-CD1 4.35Å; F54-I169 HydrophobicContact CE1-CD1 4.41Å; F54-I169 HydrophobicContact CZ-CD1 4.1Å; W64-I169 HydrophobicContact CH2-CD1 3.99Å; Y138-I169 HydrophobicContact CD1-CD1 4.05Å; Y138-I169 HydrophobicContact CD1-CG1 4.35Å; Y138-I169 HydrophobicContact CE1-CD1 4.26Å; I139-I169 PolarHBondContact O-N 3.01Å; I140-I169 WeakPolarHBondContact CA-O 3.39Å; I140-I169 HydrophobicContact CG2-CB 4.29Å; M141-I169 PolarHBondContact N-O 3.41Å; M141-I169 VanDerWaalsContact N-O 3.07Å; I169-I216 HydrophobicContact CG2-CG2 3.87Å; I169-L217 WeakPolarHBondContact CA-O 3.23Å
170C98.8Very high96.1Very high1 Ų148 Ų481%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-113.3123.9-179.6171.90000109.2M141 I216 L217 I219M141-C170 HydrophobicContact CG-CB 3.64Å; M141-C170 WeakPolarHBondContact O-CA 3.23Å; M141-C170 HydrophobicContact SD-CB 3.87Å; C170-I216 CarbonylContact O-C 3.51Å; C170-I216 WeakPolarHBondContact O-CA 3.42Å; C170-L217 HydrophobicContact CB-CB 4.32Å; C170-L217 PolarHBondContact N-O 3.36Å; C170-L217 PolarHBondContact O-N 3.1Å; C170-I219 HydrophobicContact CB-CD1 3.7Å
171C98.7Very high95.9Very high0 Ų046.8 Ų46.80%027%0.266CS..EExtended strand (participates in β ladder)trans-114.7133.8171.4-171.10000108.9A41 L45 M141 A142 D143 I214 H215 I216A41-C171 PolarHBondContact O-SG 3.39Å; L45-C171 HydrophobicContact CB-CB 3.63Å; L45-C171 HydrophobicContact CD1-CB 4.11Å; L45-C171 HydrophobicContact CD2-CB 3.84Å; L45-C171 HydrophobicContact CG-CB 4.05Å; M141-C171 PolarHBondContact O-N 3.36Å; A142-C171 CarbonylContact C-O 3.49Å; A142-C171 WeakPolarHBondContact CA-O 3.39Å; D143-C171 PolarHBondContact N-O 2.96Å; C171-I214 WeakPolarHBondContact SG-CG2 3.34Å; C171-H215 VanDerWaalsContact CA-O 3.31Å; C171-H215 WeakPolarHBondContact CA-O 3.39Å; C171-I216 HydrophobicContact CB-CG1 4.35Å
172Y98.1Very high95.8Very high10 Ų1052.9 Ų52.94%0.03929%0.294CS..EExtended strand (participates in β ladder)trans-148.7150.8177.576.5-76.2000111.1I145 Q174 E184 F188 I214 H215 L217I145-Y172 HydrophobicContact CD1-CD1 4.06Å; I145-Y172 HydrophobicContact CD1-CD2 4.39Å; I145-Y172 HydrophobicContact CD1-CG 3.9Å; Y172-Q174 HydrophobicContact CE2-CB 4.28Å; Y172-E184 HydrophobicContact CE2-CG 4.09Å; Y172-E184 WeakPolarHBondContact CE2-OE1 3.19Å; Y172-E184 PolarHBondContact OH-OE1 3.22Å; Y172-F188 AromaticContact CE1-CZ 3.89Å; Y172-F188 HydrophobicContact CE1-CZ 3.89Å; Y172-F188 AromaticContact CZ-CZ 3.7Å; Y172-F188 VanDerWaalsContact OH-CZ 3.31Å; Y172-F188 WeakPolarHBondContact OH-CZ 3.45Å; Y172-I214 WeakPolarHBondContact O-CA 3.29Å; Y172-H215 HydrophobicContact CD1-CB 4.18Å; Y172-H215 HydrophobicContact CE1-CB 3.64Å; Y172-H215 AromaticContact CZ-CD2 3.88Å; Y172-H215 PolarHBondContact N-O 3.04Å; Y172-H215 PolarHBondContact O-N 3.07Å; Y172-L217 HydrophobicContact CD1-CD1 4.4Å; Y172-L217 HydrophobicContact CE1-CD1 3.93Å; Y172-L217 HydrophobicContact CE1-CG 4.24Å
173E97.3Very high95.7Very high58 Ų5852.8 Ų52.827%0.27129%0.294SS..EExtended strand (participates in β ladder)trans-86.6126.1168.8-173.7-173.6178.200109.5D143 R175 D213 I214D143-E173 PolarHBondContact OD1-N 2.84Å; E173-R175 PolarHBondContact O-N 3.24Å; E173-R175 IonicContact OE2-CZ 3.54Å; E173-R175 IonicContact OE2-NE 3.54Å; E173-R175 IonicContact OE2-NH2 2.65Å; E173-R175 PolarHBondContact OE2-NH2 3.05Å; E173-D213 CarbonylContact C-O 3.53Å; E173-D213 WeakPolarHBondContact CA-O 3.38Å; E173-I214 HydrophobicContact CB-CG1 4.14Å; E173-I214 HydrophobicContact CG-CG1 4.14Å
174Q96Very high95.7Very high75 Ų7553.6 Ų53.635%0.3530%0.296SS..  trans-72.7119.3173.6177.3168.633.400109.9Y172 D213 H215Y172-Q174 HydrophobicContact CE2-CB 4.28Å; Q174-D213 PolarHBondContact N-O 3.25Å; Q174-H215 PolarHBondContact OE1-NE2 3.23Å; Q174-H215 VanDerWaalsContact OE1-NE2 3.1Å
175R93.4Very high95.8Very high50 Ų5053.5 Ų53.519%0.18929%0.289CS..  trans-114.5124.4-179.5-65.8178.4-178.295.9-1.2110.1D143 E173 N180D143-R175 IonicContact OD1-CZ 3.42Å; D143-R175 IonicContact OD1-NH1 2.75Å; D143-R175 PolarHBondContact OD1-NH1 3.31Å; D143-R175 IonicContact OD1-NH2 3.5Å; D143-R175 PolarHBondContact OD1-NH2 3.36Å; D143-R175 IonicContact OD2-CZ 3.47Å; D143-R175 IonicContact OD2-NH1 2.72Å; D143-R175 PolarHBondContact OD2-NH1 3.02Å; D143-R175 IonicContact OD2-NH2 3.38Å; D143-R175 PolarHBondContact OD2-NH2 3.32Å; E173-R175 PolarHBondContact O-N 3.24Å; E173-R175 IonicContact OE2-CZ 3.54Å; E173-R175 IonicContact OE2-NE 3.54Å; E173-R175 IonicContact OE2-NH2 2.65Å; E173-R175 PolarHBondContact OE2-NH2 3.05Å; R175-N180 HydrophobicContact CB-CB 3.62Å; R175-N180 VanDerWaalsContact O-CB 3.31Å; R175-N180 WeakPolarHBondContact O-CB 3.4Å
176T90.9Very high95.8Very high114 Ų11449.2 Ų49.270%0.69927%0.268SS*.  trans-96.8-6.7-174.2550000113.8P181T176-P181 WeakPolarHBondContact O-CG 3.4Å
177E90Very high95.8Very high155 Ų15549 Ų4972%0.72427%0.267SS*.SBendtrans-96.2150.8-177.2-61.2-166.516800113.4N180E177-N180 WeakPolarHBondContact O-CB 3.43Å; E177-N180 PolarHBondContact O-N 2.88Å; E177-N180 PolarHBondContact O-ND2 3.07Å
178G91.7Very high95.8Very high72 Ų7249.7 Ų49.774%0.74227%0.269SS*.THydrogen-bonded Turntrans62-137174.400000112.8N180G178-N180 VanDerWaalsContact C-N 3.32Å
179V91.8Very high95.8Very high81 Ų8154.8 Ų54.849%0.49129%0.293SS..THydrogen-bonded Turntrans-82.5-6.7-179.3-62.40000113.4E182 V183V179-E182 WeakPolarHBondContact O-CB 3.4Å; V179-E182 PolarHBondContact O-N 3.21Å; V179-V183 HydrophobicContact CG2-CG2 4.31Å; V179-V183 WeakPolarHBondContact O-CG2 3.29Å; V179-V183 PolarHBondContact O-N 2.89Å
180N92.2Very high95.8Very high40 Ų4056.5 Ų56.521%0.21430%0.302CS..Hα-helixtrans-58-40.9-172.8-66.8-66000114.3R175 E177 G178 E182 V183 E184R175-N180 HydrophobicContact CB-CB 3.62Å; R175-N180 VanDerWaalsContact O-CB 3.31Å; R175-N180 WeakPolarHBondContact O-CB 3.4Å; E177-N180 WeakPolarHBondContact O-CB 3.43Å; E177-N180 PolarHBondContact O-N 2.88Å; E177-N180 PolarHBondContact O-ND2 3.07Å; G178-N180 VanDerWaalsContact C-N 3.32Å; N180-E182 VanDerWaalsContact C-N 3.25Å; N180-E182 PolarHBondContact O-N 2.8Å; N180-V183 WeakPolarHBondContact O-CB 3.36Å; N180-V183 PolarHBondContact O-N 2.8Å; N180-E184 WeakPolarHBondContact O-CB 3.13Å; N180-E184 PolarHBondContact O-N 3.05Å
181P94.8Very high95.7Very high42 Ų4256.6 Ų56.627%0.27330%0.303SS..Hα-helixtrans-59.7-36.2175.4-25.835.9000113T176 N185T176-P181 WeakPolarHBondContact O-CG 3.4Å; P181-N185 WeakPolarHBondContact O-CB 3.46Å; P181-N185 PolarHBondContact O-N 2.83Å; P181-N185 PolarHBondContact O-ND2 2.9Å
182E96Very high95.7Very high127 Ų12762 Ų6259%0.59333%0.328SS*.Hα-helixtrans-72.4-39.4178.7-61.6172.4177.400111.1V179 N180 N185 K186V179-E182 WeakPolarHBondContact O-CB 3.4Å; V179-E182 PolarHBondContact O-N 3.21Å; N180-E182 VanDerWaalsContact C-N 3.25Å; N180-E182 PolarHBondContact O-N 2.8Å; E182-N185 PolarHBondContact O-N 2.88Å; E182-K186 VanDerWaalsContact O-CB 3.23Å; E182-K186 WeakPolarHBondContact O-CB 3.27Å; E182-K186 PolarHBondContact O-N 3.05Å
183V96.4Very high95.7Very high1 Ų168.9 Ų68.91%0.00635%0.354CS..Hα-helixtrans-60.8-48.3174.5175.90000111I145 E148 I151 V179 N180 K186 F187I145-V183 HydrophobicContact CG2-CG1 4.28Å; E148-V183 HydrophobicContact CB-CG2 3.76Å; E148-V183 HydrophobicContact CG-CG2 3.99Å; I151-V183 HydrophobicContact CD1-CG1 3.68Å; I151-V183 HydrophobicContact CG1-CG1 3.66Å; V179-V183 HydrophobicContact CG2-CG2 4.31Å; V179-V183 WeakPolarHBondContact O-CG2 3.29Å; V179-V183 PolarHBondContact O-N 2.89Å; N180-V183 WeakPolarHBondContact O-CB 3.36Å; N180-V183 PolarHBondContact O-N 2.8Å; V183-K186 PolarHBondContact O-N 2.76Å; V183-F187 PolarHBondContact O-N 3.26Å
184E96.8Very high95.7Very high23 Ų2368.9 Ų68.911%0.10736%0.356CS..Hα-helixtrans-61.1-48.6177.2-179.4-179.9168.800111.3Y172 N180 K186 F187 F188Y172-E184 HydrophobicContact CE2-CG 4.09Å; Y172-E184 WeakPolarHBondContact CE2-OE1 3.19Å; Y172-E184 PolarHBondContact OH-OE1 3.22Å; N180-E184 WeakPolarHBondContact O-CB 3.13Å; N180-E184 PolarHBondContact O-N 3.05Å; E184-K186 VanDerWaalsContact C-N 3.34Å; E184-K186 PolarHBondContact O-N 3.42Å; E184-F187 WeakPolarHBondContact O-CB 3.29Å; E184-F187 PolarHBondContact O-N 2.99Å; E184-F188 HydrophobicContact CG-CD2 3.89Å; E184-F188 HydrophobicContact CG-CE2 3.36Å; E184-F188 HydrophobicContact CG-CZ 4.14Å; E184-F188 WeakPolarHBondContact O-CD2 3.47Å; E184-F188 PolarHBondContact O-N 3.47Å; E184-F188 WeakPolarHBondContact OE1-CE2 3.17Å
185N97.1Very high95.8Very high107 Ų10765.5 Ų65.557%0.57234%0.34SS*.Hα-helixtrans-59.2-45.5177.6-77-34.5000111.8P181 E182 F187 F188 E189P181-N185 WeakPolarHBondContact O-CB 3.46Å; P181-N185 PolarHBondContact O-N 2.83Å; P181-N185 PolarHBondContact O-ND2 2.9Å; E182-N185 PolarHBondContact O-N 2.88Å; N185-F187 VanDerWaalsContact C-N 3.32Å; N185-F187 PolarHBondContact O-N 2.99Å; N185-F188 PolarHBondContact O-N 2.95Å; N185-E189 WeakPolarHBondContact O-CB 3.5Å; N185-E189 PolarHBondContact O-N 2.8Å
186K97.8Very high96Very high68 Ų6866.8 Ų66.830%0.29635%0.353SS..Hα-helixtrans-61-40.9177-173.9-178.7-173.6-178.60111.6E148 I151 E182 V183 E184 E189 L190E148-K186 HydrophobicContact CG-CD 4.01Å; E148-K186 PolarHBondContact O-NZ 2.98Å; E148-K186 IonicContact OE1-NZ 3.59Å; E148-K186 PolarHBondContact OE1-NZ 3.23Å; I151-K186 HydrophobicContact CG2-CB 4.49Å; I151-K186 HydrophobicContact CG2-CD 4.49Å; I151-K186 HydrophobicContact CG2-CG 4.14Å; E182-K186 VanDerWaalsContact O-CB 3.23Å; E182-K186 WeakPolarHBondContact O-CB 3.27Å; E182-K186 PolarHBondContact O-N 3.05Å; V183-K186 PolarHBondContact O-N 2.76Å; E184-K186 VanDerWaalsContact C-N 3.34Å; E184-K186 PolarHBondContact O-N 3.42Å; K186-E189 PolarHBondContact O-N 3.39Å; K186-L190 WeakPolarHBondContact O-CG 3.38Å; K186-L190 PolarHBondContact O-N 3Å
187F98.4Very high96.3Very high0 Ų066.8 Ų66.80%034%0.341CS..Hα-helixtrans-59.4-50.9175.8174.3-104.3000111M141 I145 I151 L154 V155 L158 V183 E184 N185 E189 L190 L191M141-F187 HydrophobicContact CE-CZ 4.47Å; I145-F187 HydrophobicContact CD1-CD1 3.48Å; I145-F187 VanDerWaalsContact CD1-CD1 3.48Å; I145-F187 HydrophobicContact CD1-CE1 3.41Å; I145-F187 VanDerWaalsContact CD1-CE1 3.41Å; I145-F187 HydrophobicContact CD1-CE2 4.49Å; I145-F187 HydrophobicContact CD1-CG 4.07Å; I145-F187 HydrophobicContact CD1-CZ 3.96Å; I145-F187 HydrophobicContact CG1-CD1 4.08Å; I145-F187 HydrophobicContact CG1-CD2 4.33Å; I145-F187 HydrophobicContact CG1-CE1 4.17Å; I145-F187 HydrophobicContact CG1-CE2 4.43Å; I145-F187 HydrophobicContact CG1-CG 4.16Å; I145-F187 HydrophobicContact CG1-CZ 4.34Å; I145-F187 HydrophobicContact CG2-CB 3.85Å; I145-F187 HydrophobicContact CG2-CD1 4.33Å; I145-F187 HydrophobicContact CG2-CG 4.07Å; I151-F187 HydrophobicContact CD1-CB 4.16Å; I151-F187 HydrophobicContact CD1-CD2 4.46Å; I151-F187 VanDerWaalsContact CG2-CA 3.42Å; I151-F187 HydrophobicContact CG2-CB 3.8Å; I151-F187 HydrophobicContact CG2-CD2 4.27Å; L154-F187 HydrophobicContact CD2-CD2 4.4Å; L154-F187 HydrophobicContact CD2-CE2 4.11Å; L154-F187 HydrophobicContact CG-CE2 4.48Å; V155-F187 HydrophobicContact CG2-CD2 3.86Å; V155-F187 HydrophobicContact CG2-CE2 3.92Å; L158-F187 HydrophobicContact CD1-CE2 4.45Å; V183-F187 PolarHBondContact O-N 3.26Å; E184-F187 WeakPolarHBondContact O-CB 3.29Å; E184-F187 PolarHBondContact O-N 2.99Å; N185-F187 VanDerWaalsContact C-N 3.32Å; N185-F187 PolarHBondContact O-N 2.99Å; F187-E189 VanDerWaalsContact C-N 3.33Å; F187-E189 PolarHBondContact O-N 3.08Å; F187-L190 PolarHBondContact O-N 3.03Å; F187-L191 HydrophobicContact CE1-CD2 3.83Å; F187-L191 HydrophobicContact CE2-CD1 4.43Å; F187-L191 HydrophobicContact CZ-CD1 4.09Å; F187-L191 HydrophobicContact CZ-CD2 4.02Å; F187-L191 HydrophobicContact CZ-CG 4.47Å; F187-L191 WeakPolarHBondContact O-CB 3.4Å; F187-L191 PolarHBondContact O-N 2.92Å
188F98.2Very high96.7Very high18 Ų1864.9 Ų64.98%0.07933%0.332CS..Hα-helixtrans-66.1-35179.4-64.6-43.5000113.4Y172 E184 N185 L191 Q192 L217Y172-F188 AromaticContact CE1-CZ 3.89Å; Y172-F188 HydrophobicContact CE1-CZ 3.89Å; Y172-F188 AromaticContact CZ-CZ 3.7Å; Y172-F188 VanDerWaalsContact OH-CZ 3.31Å; Y172-F188 WeakPolarHBondContact OH-CZ 3.45Å; E184-F188 HydrophobicContact CG-CD2 3.89Å; E184-F188 HydrophobicContact CG-CE2 3.36Å; E184-F188 HydrophobicContact CG-CZ 4.14Å; E184-F188 WeakPolarHBondContact O-CD2 3.47Å; E184-F188 PolarHBondContact O-N 3.47Å; E184-F188 WeakPolarHBondContact OE1-CE2 3.17Å; N185-F188 PolarHBondContact O-N 2.95Å; F188-L191 HydrophobicContact CD1-CD2 4.32Å; F188-L191 PolarHBondContact O-N 3.37Å; F188-Q192 WeakPolarHBondContact O-CB 3.42Å; F188-Q192 VanDerWaalsContact O-CG 3.3Å; F188-Q192 WeakPolarHBondContact O-CG 3.42Å; F188-Q192 PolarHBondContact O-N 3.46Å; F188-L217 HydrophobicContact CE1-CD1 3.55Å; F188-L217 HydrophobicContact CZ-CD1 3.96Å
189E98.2Very high97Very high109 Ų10964.7 Ų64.751%0.50932%0.316SS..Hα-helixtrans-66.6-36.1177.8-160-168.4173.300112.7N185 K186 F187 Q192N185-E189 WeakPolarHBondContact O-CB 3.5Å; N185-E189 PolarHBondContact O-N 2.8Å; K186-E189 PolarHBondContact O-N 3.39Å; F187-E189 VanDerWaalsContact C-N 3.33Å; F187-E189 PolarHBondContact O-N 3.08Å; E189-Q192 VanDerWaalsContact O-CG 3.31Å; E189-Q192 WeakPolarHBondContact O-CG 3.49Å
190L98.3Very high97.3Very high35 Ų3561.2 Ų61.218%0.18330%0.295CS..Hα-helixtrans-76.7-44.5173.2-66.9-173.5000111.8I151 V155 K186 F187 Q192 R193I151-L190 HydrophobicContact CG2-CD1 4.11Å; V155-L190 HydrophobicContact CB-CB 4.42Å; V155-L190 HydrophobicContact CG1-CB 4.23Å; V155-L190 HydrophobicContact CG2-CB 4.04Å; K186-L190 WeakPolarHBondContact O-CG 3.38Å; K186-L190 PolarHBondContact O-N 3Å; F187-L190 PolarHBondContact O-N 3.03Å; L190-Q192 PolarHBondContact O-N 3.38Å; L190-R193 VanDerWaalsContact CD2-CZ 3.48Å; L190-R193 WeakPolarHBondContact O-CB 3.29Å; L190-R193 WeakPolarHBondContact O-CG 3.48Å; L190-R193 PolarHBondContact O-N 3.24Å
191L98.3Very high97.5Very high3 Ų362 Ų622%0.01630%0.302CS..Hα-helixtrans-58.6-45.4-177.8-172.675.2000111.5L158 F187 F188 R193 N194 F195 I219L158-L191 HydrophobicContact CD1-CD1 4.1Å; F187-L191 HydrophobicContact CE1-CD2 3.83Å; F187-L191 HydrophobicContact CE2-CD1 4.43Å; F187-L191 HydrophobicContact CZ-CD1 4.09Å; F187-L191 HydrophobicContact CZ-CD2 4.02Å; F187-L191 HydrophobicContact CZ-CG 4.47Å; F187-L191 WeakPolarHBondContact O-CB 3.4Å; F187-L191 PolarHBondContact O-N 2.92Å; F188-L191 HydrophobicContact CD1-CD2 4.32Å; F188-L191 PolarHBondContact O-N 3.37Å; L191-R193 PolarHBondContact O-N 3.46Å; L191-N194 PolarHBondContact O-N 2.72Å; L191-N194 VanDerWaalsContact O-N 3.17Å; L191-F195 HydrophobicContact CD1-CB 4.14Å; L191-F195 HydrophobicContact CD1-CD2 3.63Å; L191-F195 HydrophobicContact CD1-CE2 4.26Å; L191-F195 HydrophobicContact CD1-CG 4.01Å; L191-F195 HydrophobicContact CG-CB 4.1Å; L191-F195 HydrophobicContact CG-CD2 4.25Å; L191-F195 HydrophobicContact CG-CG 4.48Å; L191-F195 WeakPolarHBondContact O-CB 3.42Å; L191-F195 WeakPolarHBondContact O-CD2 3.12Å; L191-F195 PolarHBondContact O-N 3.47Å; L191-I219 HydrophobicContact CD1-CD1 4.47Å; L191-I219 HydrophobicContact CD1-CG2 4.13Å; L191-I219 HydrophobicContact CD2-CD1 3.78Å; L191-I219 HydrophobicContact CD2-CG1 4.17Å; L191-I219 HydrophobicContact CD2-CG2 4.32Å; L191-I219 HydrophobicContact CG-CG2 4.49Å
192Q97.8Very high97.5Very high113 Ų11364.2 Ų64.253%0.52832%0.319SS..THydrogen-bonded Turntrans-62.5-13.8-177.569.1-179.1-9.200114.3F188 E189 L190 N194 K222F188-Q192 WeakPolarHBondContact O-CB 3.42Å; F188-Q192 VanDerWaalsContact O-CG 3.3Å; F188-Q192 WeakPolarHBondContact O-CG 3.42Å; F188-Q192 PolarHBondContact O-N 3.46Å; E189-Q192 VanDerWaalsContact O-CG 3.31Å; E189-Q192 WeakPolarHBondContact O-CG 3.49Å; L190-Q192 PolarHBondContact O-N 3.38Å; Q192-N194 VanDerWaalsContact C-N 3.31Å; Q192-K222 VanDerWaalsContact O-CE 3.3Å; Q192-K222 WeakPolarHBondContact O-CE 3.28Å; Q192-K222 PolarHBondContact O-NZ 3.32Å
193R97.6Very high97.4Very high155 Ų15564.7 Ų64.759%0.58533%0.325SS*.THydrogen-bonded Turntrans-68.8-33.2178-61.4177.5-176.4-174.4-1.2111.9L190 L191L190-R193 VanDerWaalsContact CD2-CZ 3.48Å; L190-R193 WeakPolarHBondContact O-CB 3.29Å; L190-R193 WeakPolarHBondContact O-CG 3.48Å; L190-R193 PolarHBondContact O-N 3.24Å; L191-R193 PolarHBondContact O-N 3.46Å
194N97.6Very high97.4Very high58 Ų5869.7 Ų69.731%0.3135%0.347SS..THydrogen-bonded Turntrans-126.2-10.8-174.3-63.3110.8000113.9K159 L191 Q192 K222K159-N194 HydrophobicContact CD-CB 4.28Å; K159-N194 WeakPolarHBondContact CD-OD1 3.42Å; K159-N194 VanDerWaalsContact CE-OD1 3.3Å; K159-N194 WeakPolarHBondContact CE-OD1 3.39Å; K159-N194 HydrophobicContact CG-CB 4.16Å; L191-N194 PolarHBondContact O-N 2.72Å; L191-N194 VanDerWaalsContact O-N 3.17Å; Q192-N194 VanDerWaalsContact C-N 3.31Å; N194-K222 PolarHBondContact O-N 3.26Å
195F98.6Very high97.4Very high4 Ų469.5 Ų69.52%0.01835%0.346CS..EExtended strand (participates in β ladder)trans-130.7151.9-174.9-57.2-89.1000112.6L158 K159 S162 I168 L191 I219 R220 R221 K222L158-F195 HydrophobicContact CB-CE2 4.32Å; L158-F195 HydrophobicContact CB-CZ 3.97Å; K159-F195 HydrophobicContact CB-CZ 4.41Å; K159-F195 HydrophobicContact CG-CE2 3.56Å; K159-F195 HydrophobicContact CG-CZ 3.77Å; S162-F195 WeakPolarHBondContact OG-CE1 3.21Å; I168-F195 HydrophobicContact CD1-CD1 3.99Å; I168-F195 HydrophobicContact CD1-CE1 3.63Å; I168-F195 HydrophobicContact CD1-CZ 4.38Å; L191-F195 HydrophobicContact CD1-CB 4.14Å; L191-F195 HydrophobicContact CD1-CD2 3.63Å; L191-F195 HydrophobicContact CD1-CE2 4.26Å; L191-F195 HydrophobicContact CD1-CG 4.01Å; L191-F195 HydrophobicContact CG-CB 4.1Å; L191-F195 HydrophobicContact CG-CD2 4.25Å; L191-F195 HydrophobicContact CG-CG 4.48Å; L191-F195 WeakPolarHBondContact O-CB 3.42Å; L191-F195 WeakPolarHBondContact O-CD2 3.12Å; L191-F195 PolarHBondContact O-N 3.47Å; F195-I219 HydrophobicContact CB-CG2 3.66Å; F195-I219 HydrophobicContact CD1-CG2 3.87Å; F195-I219 HydrophobicContact CG-CG2 3.92Å; F195-R220 CarbonylContact C-O 3.57Å; F195-R220 WeakPolarHBondContact CA-O 3.27Å; F195-R220 WeakPolarHBondContact CB-O 3.3Å; F195-R221 HydrophobicContact CD1-CB 4.17Å; F195-R221 HydrophobicContact CE1-CB 4.12Å; F195-R221 HydrophobicContact CE1-CG 4.38Å; F195-K222 WeakPolarHBondContact O-CE 3.19Å
196T98Very high97.4Very high77 Ų7765.1 Ų65.147%0.47232%0.322SS..EExtended strand (participates in β ladder)trans-95.3154.5158.956.10000109.2I219 R220 K222T196-I219 VanDerWaalsContact O-CA 3.32Å; T196-I219 WeakPolarHBondContact O-CA 3.44Å; T196-R220 PolarHBondContact N-O 3.01Å; T196-R220 PolarHBondContact O-N 2.92Å; T196-R220 PolarHBondContact OG1-O 3.48Å; T196-K222 HydrophobicContact CG2-CG 3.93Å
197R97.4Very high97.2Very high115 Ų11567.8 Ų67.843%0.43435%0.347SS..EExtended strand (participates in β ladder)trans-137.4146.7174.869.2174.9-179.2136.8-7.5110.7H218 I219R197-H218 CarbonylContact C-O 3.48Å; R197-H218 VanDerWaalsContact CA-O 3.3Å; R197-H218 WeakPolarHBondContact CA-O 3.44Å; R197-I219 HydrophobicContact CB-CG1 3.92Å
198E98Very high97.1Very high114 Ų11475.1 Ų75.153%0.53338%0.381SS..EExtended strand (participates in β ladder)trans-127.7129.7169.9-178.2-177.6174.900108.2L217 H218E198-L217 CarbonylContact O-C 3.53Å; E198-L217 WeakPolarHBondContact O-CA 3.35Å; E198-H218 PolarHBondContact N-O 2.79Å; E198-H218 PolarHBondContact O-N 3.49Å
199T98.1Very high97Very high69 Ų6977.8 Ų77.842%0.42339%0.393SS..EExtended strand (participates in β ladder)trans-79.5130.5171-57.30000109.3P201 L217T199-P201 VanDerWaalsContact O-CD 3.32Å; T199-P201 WeakPolarHBondContact O-CD 3.35Å; T199-L217 HydrophobicContact CG2-CD2 4.2Å; T199-L217 VanDerWaalsContact OG1-CD2 3.26Å; T199-L217 WeakPolarHBondContact OG1-CD2 3.42Å
200I98.1Very high96.9Very high8 Ų874.8 Ų74.84%0.04138%0.384CS..PPolyproline II helixtrans-78.3119.2178.7-57-54.4000109.4Y48 K204 Q205 I216 H218Y48-I200 HydrophobicContact CE2-CG2 3.92Å; I200-K204 HydrophobicContact CG2-CB 3.79Å; I200-Q205 HydrophobicContact CG2-CG 4.24Å; I200-Q205 PolarHBondContact O-NE2 3.29Å; I200-Q205 VanDerWaalsContact O-NE2 3.09Å; I200-I216 HydrophobicContact CB-CB 4.12Å; I200-I216 HydrophobicContact CB-CG2 4.31Å; I200-I216 HydrophobicContact CG1-CB 4.26Å; I200-I216 HydrophobicContact CG1-CG2 3.92Å; I200-I216 PolarHBondContact N-O 3.19Å; I200-H218 HydrophobicContact CD1-CB 4.17Å
201P96.6Very high96.8Very high55 Ų5575.1 Ų75.136%0.35739%0.389SS..PPolyproline II helixtrans-57.4147.9176.2-28.138.6000112.7T199 D203 K204T199-P201 VanDerWaalsContact O-CD 3.32Å; T199-P201 WeakPolarHBondContact O-CD 3.35Å; P201-D203 WeakPolarHBondContact CB-OD1 3.41Å; P201-D203 PolarHBondContact O-N 2.61Å; P201-K204 PolarHBondContact O-N 3.06Å
202S93.4Very high96.7Very high90 Ų9080.3 Ų80.363%0.62942%0.423SS*.G310 helixtrans-59-31.2-176.958.40000113.8K204 Q205S202-K204 PolarHBondContact O-N 2.98Å; S202-Q205 WeakPolarHBondContact O-CB 3.41Å; S202-Q205 PolarHBondContact O-N 3.25Å; S202-Q205 VanDerWaalsContact O-N 3.1Å
203D94.7Very high96.7Very high136 Ų13679 Ų7973%0.72742%0.42SS*.G310 helixtrans-71.7-12.6177.868.1-35.9000113.8P201P201-D203 WeakPolarHBondContact CB-OD1 3.41Å; P201-D203 PolarHBondContact O-N 2.61Å
204K95.6Very high96.7Very high107 Ų10772.1 Ų72.147%0.46539%0.394SS..G310 helixtrans-96.5-4.7170.7-61.9-170.3-175.7174.10113.2Y48 I200 P201 S202Y48-K204 WeakPolarHBondContact CE2-O 3.18Å; I200-K204 HydrophobicContact CG2-CB 3.79Å; P201-K204 PolarHBondContact O-N 3.06Å; S202-K204 PolarHBondContact O-N 2.98Å
205Q96.8Very high96.7Very high18 Ų1871.2 Ų71.28%0.08439%0.388CS..SBendtrans-88.7179177.1-56.3-176.12100110.8I200 S202 I216I200-Q205 HydrophobicContact CG2-CG 4.24Å; I200-Q205 PolarHBondContact O-NE2 3.29Å; I200-Q205 VanDerWaalsContact O-NE2 3.09Å; S202-Q205 WeakPolarHBondContact O-CB 3.41Å; S202-Q205 PolarHBondContact O-N 3.25Å; S202-Q205 VanDerWaalsContact O-N 3.1Å; Q205-I216 HydrophobicContact CG-CD1 4.07Å
206D96.9Very high96.7Very high15 Ų1571 Ų718%0.0839%0.387CS..  trans-67.1131171-171.1-68.4000110K47 E208 F209 S210K47-D206 HydrophobicContact CB-CB 3.96Å; D206-E208 VanDerWaalsContact C-N 3.27Å; D206-E208 PolarHBondContact O-N 3.14Å; D206-E208 PolarHBondContact OD1-N 3.15Å; D206-F209 HydrophobicContact CB-CB 4.08Å; D206-F209 WeakPolarHBondContact OD1-CD2 3.37Å; D206-F209 PolarHBondContact OD1-N 2.92Å; D206-S210 VanDerWaalsContact O-CB 3.31Å; D206-S210 WeakPolarHBondContact O-CB 3.43Å; D206-S210 PolarHBondContact O-OG 3.08Å
207P94.4Very high96.8Very high125 Ų12567.3 Ų67.381%0.81237%0.365SS*.SBendtrans-68.6-22.7-17527.9-36.3000114.1
208E95.9Very high96.8Very high154 Ų15464 Ų6472%0.7235%0.354SS*.SBendtrans-100.5-40.3177.6-177.4173.3-174.900111D206 S210D206-E208 VanDerWaalsContact C-N 3.27Å; D206-E208 PolarHBondContact O-N 3.14Å; D206-E208 PolarHBondContact OD1-N 3.15Å; E208-S210 PolarHBondContact O-N 3.45Å
209F96.4Very high96.9Very high73 Ų7358.6 Ų58.632%0.3233%0.329SS..SBendtrans-101.165.4-176.3-59.3-84.6000111.5I43 K47 D206I43-F209 HydrophobicContact CG2-CD1 3.78Å; I43-F209 HydrophobicContact CG2-CE1 4.32Å; K47-F209 HydrophobicContact CB-CB 3.8Å; K47-F209 HydrophobicContact CB-CD2 4.27Å; K47-F209 HydrophobicContact CB-CG 4.21Å; K47-F209 HydrophobicContact CD-CD2 4.11Å; K47-F209 HydrophobicContact CD-CE2 4.37Å; K47-F209 HydrophobicContact CD-CG 4.45Å; K47-F209 HydrophobicContact CG-CB 3.73Å; K47-F209 HydrophobicContact CG-CD1 4.25Å; K47-F209 HydrophobicContact CG-CD2 3.72Å; K47-F209 HydrophobicContact CG-CE2 4.4Å; K47-F209 HydrophobicContact CG-CG 3.63Å; D206-F209 HydrophobicContact CB-CB 4.08Å; D206-F209 WeakPolarHBondContact OD1-CD2 3.37Å; D206-F209 PolarHBondContact OD1-N 2.92Å
210S96.1Very high96.9Very high46 Ų4659.9 Ų59.932%0.32233%0.326SS..  trans-144.5160.9172.553.90000111.5D206 E208D206-S210 VanDerWaalsContact O-CB 3.31Å; D206-S210 WeakPolarHBondContact O-CB 3.43Å; D206-S210 PolarHBondContact O-OG 3.08Å; E208-S210 PolarHBondContact O-N 3.45Å
211S97.2Very high96.8Very high42 Ų4264.6 Ų64.629%0.29434%0.343SS..  trans-147.1145.1179.3171.90000110.1D213 I214S211-D213 PolarHBondContact O-N 3.22Å; S211-D213 PolarHBondContact OG-N 3.47Å; S211-I214 PolarHBondContact O-N 3.2Å; S211-I214 VanDerWaalsContact O-N 3.15Å; S211-I214 VanDerWaalsContact O-O 3.12Å
212P95.8Very high96.7Very high112 Ų11266.7 Ų66.773%0.72735%0.347SS*.THydrogen-bonded Turntrans-61.7-22.7173.327.4-36.2000113.2H215P212-H215 PolarHBondContact O-CE1 2.8Å; P212-H215 VanDerWaalsContact O-CE1 3.29Å
213D97Very high96Very high87 Ų8773.4 Ų73.447%0.46538%0.375SS..THydrogen-bonded Turntrans-94.2-5.9-179.8-57.3-45.1000112.3E173 Q174 S211E173-D213 CarbonylContact C-O 3.53Å; E173-D213 WeakPolarHBondContact CA-O 3.38Å; Q174-D213 PolarHBondContact N-O 3.25Å; S211-D213 PolarHBondContact O-N 3.22Å; S211-D213 PolarHBondContact OG-N 3.47Å
214I98.3Very high96Very high9 Ų970.3 Ų70.35%0.04636%0.358CS..EExtended strand (participates in β ladder)trans-111.4117.6178.6-60.1174.4000109.5D40 A41 V44 C171 Y172 E173 S211D40-I214 HydrophobicContact CB-CD1 3.8Å; A41-I214 HydrophobicContact CB-CG2 4.08Å; V44-I214 HydrophobicContact CB-CG2 3.97Å; V44-I214 HydrophobicContact CG1-CG2 3.87Å; V44-I214 HydrophobicContact CG2-CB 4.42Å; V44-I214 HydrophobicContact CG2-CD1 3.81Å; V44-I214 HydrophobicContact CG2-CG2 4.01Å; C171-I214 WeakPolarHBondContact SG-CG2 3.34Å; Y172-I214 WeakPolarHBondContact O-CA 3.29Å; E173-I214 HydrophobicContact CB-CG1 4.14Å; E173-I214 HydrophobicContact CG-CG1 4.14Å; S211-I214 PolarHBondContact O-N 3.2Å; S211-I214 VanDerWaalsContact O-N 3.15Å; S211-I214 VanDerWaalsContact O-O 3.12Å
215H98.3Very high96.1Very high39 Ų3968.3 Ų68.318%0.18135%0.352CS..EExtended strand (participates in β ladder)trans-108.9133-173.9-56.5-72.5000110.9C171 Y172 Q174 P212C171-H215 VanDerWaalsContact CA-O 3.31Å; C171-H215 WeakPolarHBondContact CA-O 3.39Å; Y172-H215 HydrophobicContact CD1-CB 4.18Å; Y172-H215 HydrophobicContact CE1-CB 3.64Å; Y172-H215 AromaticContact CZ-CD2 3.88Å; Y172-H215 PolarHBondContact N-O 3.04Å; Y172-H215 PolarHBondContact O-N 3.07Å; Q174-H215 PolarHBondContact OE1-NE2 3.23Å; Q174-H215 VanDerWaalsContact OE1-NE2 3.1Å; P212-H215 PolarHBondContact O-CE1 2.8Å; P212-H215 VanDerWaalsContact O-CE1 3.29Å
216I98.8Very high96Very high0 Ų071.1 Ų71.10%037%0.367CS..EExtended strand (participates in β ladder)trans-102.6130.3168.9-54.2179.2000108.6V44 Y48 I169 C170 C171 I200 Q205V44-I216 HydrophobicContact CG1-CD1 3.95Å; V44-I216 HydrophobicContact CG1-CG1 4.22Å; Y48-I216 HydrophobicContact CD1-CD1 3.83Å; Y48-I216 HydrophobicContact CD1-CG2 3.98Å; Y48-I216 HydrophobicContact CD2-CD1 3.83Å; Y48-I216 HydrophobicContact CE1-CD1 4.45Å; Y48-I216 HydrophobicContact CE1-CG2 3.81Å; Y48-I216 HydrophobicContact CE2-CD1 4.47Å; Y48-I216 HydrophobicContact CG-CD1 3.46Å; Y48-I216 VanDerWaalsContact CG-CD1 3.46Å; I169-I216 HydrophobicContact CG2-CG2 3.87Å; C170-I216 CarbonylContact O-C 3.51Å; C170-I216 WeakPolarHBondContact O-CA 3.42Å; C171-I216 HydrophobicContact CB-CG1 4.35Å; I200-I216 HydrophobicContact CB-CB 4.12Å; I200-I216 HydrophobicContact CB-CG2 4.31Å; I200-I216 HydrophobicContact CG1-CB 4.26Å; I200-I216 HydrophobicContact CG1-CG2 3.92Å; I200-I216 PolarHBondContact N-O 3.19Å; Q205-I216 HydrophobicContact CG-CD1 4.07Å
217L98.7Very high96Very high0 Ų074.4 Ų74.40%038%0.384CS..EExtended strand (participates in β ladder)trans-118131.6178.2-53179000109.8I169 C170 Y172 F188 E198 T199 I219I169-L217 WeakPolarHBondContact CA-O 3.23Å; C170-L217 HydrophobicContact CB-CB 4.32Å; C170-L217 PolarHBondContact N-O 3.36Å; C170-L217 PolarHBondContact O-N 3.1Å; Y172-L217 HydrophobicContact CD1-CD1 4.4Å; Y172-L217 HydrophobicContact CE1-CD1 3.93Å; Y172-L217 HydrophobicContact CE1-CG 4.24Å; F188-L217 HydrophobicContact CE1-CD1 3.55Å; F188-L217 HydrophobicContact CZ-CD1 3.96Å; E198-L217 CarbonylContact O-C 3.53Å; E198-L217 WeakPolarHBondContact O-CA 3.35Å; T199-L217 HydrophobicContact CG2-CD2 4.2Å; T199-L217 VanDerWaalsContact OG1-CD2 3.26Å; T199-L217 WeakPolarHBondContact OG1-CD2 3.42Å; L217-I219 HydrophobicContact CB-CD1 4.27Å; L217-I219 HydrophobicContact CB-CG1 4.09Å
218H98.6Very high96.1Very high45 Ų4571.3 Ų71.321%0.20836%0.357CS..EExtended strand (participates in β ladder)trans-92.3122.8159.9-79.8-163.2000108.8Y48 R197 E198 I200Y48-H218 AromaticContact CE1-NE2 3.56Å; Y48-H218 AromaticContact CZ-NE2 3.67Å; Y48-H218 PolarHBondContact OH-CE1 3.25Å; Y48-H218 PolarHBondContact OH-NE2 3.24Å; R197-H218 CarbonylContact C-O 3.48Å; R197-H218 VanDerWaalsContact CA-O 3.3Å; R197-H218 WeakPolarHBondContact CA-O 3.44Å; E198-H218 PolarHBondContact N-O 2.79Å; E198-H218 PolarHBondContact O-N 3.49Å; I200-H218 HydrophobicContact CD1-CB 4.17Å
219I98.7Very high96.1Very high0 Ų065.7 Ų65.70%033%0.333CS..EExtended strand (participates in β ladder)trans-119.1135.6-176.2-60.4162.8000108.4I168 C170 L191 F195 T196 R197 L217I168-I219 HydrophobicContact CB-CB 3.84Å; I168-I219 HydrophobicContact CB-CG2 4.27Å; I168-I219 WeakPolarHBondContact CB-O 3.3Å; I168-I219 HydrophobicContact CD1-CG2 4.03Å; I168-I219 HydrophobicContact CG2-CB 4.1Å; I168-I219 HydrophobicContact CG2-CD1 4.25Å; I168-I219 PolarHBondContact N-O 3.14Å; I168-I219 PolarHBondContact O-N 3.11Å; C170-I219 HydrophobicContact CB-CD1 3.7Å; L191-I219 HydrophobicContact CD1-CD1 4.47Å; L191-I219 HydrophobicContact CD1-CG2 4.13Å; L191-I219 HydrophobicContact CD2-CD1 3.78Å; L191-I219 HydrophobicContact CD2-CG1 4.17Å; L191-I219 HydrophobicContact CD2-CG2 4.32Å; L191-I219 HydrophobicContact CG-CG2 4.49Å; F195-I219 HydrophobicContact CB-CG2 3.66Å; F195-I219 HydrophobicContact CD1-CG2 3.87Å; F195-I219 HydrophobicContact CG-CG2 3.92Å; T196-I219 VanDerWaalsContact O-CA 3.32Å; T196-I219 WeakPolarHBondContact O-CA 3.44Å; R197-I219 HydrophobicContact CB-CG1 3.92Å; L217-I219 HydrophobicContact CB-CD1 4.27Å; L217-I219 HydrophobicContact CB-CG1 4.09Å
220R98.2Very high96Very high96 Ų9665.2 Ų65.236%0.36233%0.334SS..EExtended strand (participates in β ladder)trans-133.1144.8178.9-68.7-65.9-171.4160.34.5110.3E165 T166 S167 F195 T196E165-R220 PolarHBondContact O-NH1 3.14Å; T166-R220 WeakPolarHBondContact O-CD 3.33Å; T166-R220 PolarHBondContact O-NH1 2.85Å; S167-R220 VanDerWaalsContact CB-NH2 3.34Å; S167-R220 PolarHBondContact OG-NE 2.99Å; S167-R220 PolarHBondContact OG-NH2 3.32Å; F195-R220 CarbonylContact C-O 3.57Å; F195-R220 WeakPolarHBondContact CA-O 3.27Å; F195-R220 WeakPolarHBondContact CB-O 3.3Å; T196-R220 PolarHBondContact N-O 3.01Å; T196-R220 PolarHBondContact O-N 2.92Å; T196-R220 PolarHBondContact OG1-O 3.48Å
221R96.8Very high96Very high108 Ų10866.7 Ų66.741%0.40834%0.335SS..EExtended strand (participates in β ladder)trans-65.6140.1174.3-167.6171.9174.9149.32.7108.8K159 S162 F195K159-R221 PolarHBondContact O-NH1 3.37Å; K159-R221 VanDerWaalsContact O-NH1 3.08Å; S162-R221 PolarHBondContact O-NH1 2.61Å; F195-R221 HydrophobicContact CD1-CB 4.17Å; F195-R221 HydrophobicContact CE1-CB 4.12Å; F195-R221 HydrophobicContact CE1-CG 4.38Å
222K95Very high96Very high98 Ų9868.8 Ų68.843%0.42634%0.338SS..  trans-70.8142.6170.3-68.9-179.2-176.8-175.70109.2Q192 N194 F195 T196Q192-K222 VanDerWaalsContact O-CE 3.3Å; Q192-K222 WeakPolarHBondContact O-CE 3.28Å; Q192-K222 PolarHBondContact O-NZ 3.32Å; N194-K222 PolarHBondContact O-N 3.26Å; F195-K222 WeakPolarHBondContact O-CE 3.19Å; T196-K222 HydrophobicContact CG2-CG 3.93Å
223D77.4Confident96Very high231 Ų23164.8 Ų64.8100%1.23530%0.303SS*.  trans-60.90167.7-61.6-36.7000111.8

Retrieved 223 of 223 residues in 46.4 ms (Link to these results)

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