A0A060XWF6_ONCMY Loading...

Sorting nexin 3

AlphaFold DB , UniProt , Accession A0A060XWF6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene snx3, Length 162 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
1M50Low70.8Confident235 Ų235152.4 Ų152.4100%1.15881%0.805SS**  0115.70-70.4170.1-175.300105.7D3M1-D3 PolarHBondContact O-N 3.26Å
2A53.8Low72.1Confident94 Ų94158 Ų15878%0.77782%0.818SS**  trans-82.7112.8179.100000107.8T4A2-T4 PolarHBondContact O-N 3.34Å
3D58.5Low73.2Confident150 Ų150153.9 Ų153.980%0.80281%0.812SS**  trans-65.1103.9172.4-71.8-42.5000108.6M1 I5M1-D3 PolarHBondContact O-N 3.26Å; D3-I5 VanDerWaalsContact C-N 3.34Å; D3-I5 PolarHBondContact O-N 3.23Å
4T60.6Low74.3Confident135 Ų135157.1 Ų157.183%0.82882%0.815SS**  trans-73.291.9172.349.80000108.4A2 A6A2-T4 PolarHBondContact O-N 3.34Å; T4-A6 PolarHBondContact O-N 2.99Å
5I66.8Low75.1Confident153 Ų153154.2 Ų154.279%0.78581%0.81SS**  trans-58127.2170-60.5170.3000107.6D3 D7D3-I5 VanDerWaalsContact C-N 3.34Å; D3-I5 PolarHBondContact O-N 3.23Å; I5-D7 PolarHBondContact O-N 2.77Å
6A69.2Low75.8Confident83 Ų83153.5 Ų153.569%0.68680%0.801SS**  trans-62.2105.2174.800000109.2T4 T8T4-A6 PolarHBondContact O-N 2.99Å; A6-T8 PolarHBondContact O-N 3.28Å; A6-T8 VanDerWaalsContact O-N 3.08Å
7D78.4Confident76.6Confident101 Ų101149.9 Ų149.954%0.5478%0.783SS.*  trans-73.4100.8-179.5-165.7-6.4000109.8I5 R9I5-D7 PolarHBondContact O-N 2.77Å; D7-R9 VanDerWaalsContact C-N 3.31Å; D7-R9 WeakPolarHBondContact OD1-CB 3.38Å; D7-R9 WeakPolarHBondContact OD1-CG 3.23Å; D7-R9 IonicContact OD1-CZ 3.39Å; D7-R9 PolarHBondContact OD1-N 3.37Å; D7-R9 VanDerWaalsContact OD1-N 3.15Å; D7-R9 IonicContact OD1-NE 3.28Å; D7-R9 PolarHBondContact OD1-NE 2.8Å; D7-R9 IonicContact OD1-NH2 3.71Å; D7-R9 IonicContact OD2-CZ 3.66Å; D7-R9 IonicContact OD2-NE 2.75Å; D7-R9 PolarHBondContact OD2-NE 2.7Å; D7-R9 IonicContact OD2-NH2 2.7Å; D7-R9 PolarHBondContact OD2-NH2 3.05Å
8T83.3Confident76.9Confident127 Ų127148.5 Ų148.578%0.77978%0.776SS**  trans-90.37.3178.356.60000112.9A6 R10A6-T8 PolarHBondContact O-N 3.28Å; A6-T8 VanDerWaalsContact O-N 3.08Å; T8-R10 PolarHBondContact O-N 3.47Å
9R86.9Confident77.2Confident200 Ų200147.4 Ų147.476%0.75577%0.771SS**PPolyproline II helixtrans-68.9120.4-180-65.5178.9-68.7169.6-1.4110D7D7-R9 VanDerWaalsContact C-N 3.31Å; D7-R9 WeakPolarHBondContact OD1-CB 3.38Å; D7-R9 WeakPolarHBondContact OD1-CG 3.23Å; D7-R9 IonicContact OD1-CZ 3.39Å; D7-R9 PolarHBondContact OD1-N 3.37Å; D7-R9 VanDerWaalsContact OD1-N 3.15Å; D7-R9 IonicContact OD1-NE 3.28Å; D7-R9 PolarHBondContact OD1-NE 2.8Å; D7-R9 IonicContact OD1-NH2 3.71Å; D7-R9 IonicContact OD2-CZ 3.66Å; D7-R9 IonicContact OD2-NE 2.75Å; D7-R9 PolarHBondContact OD2-NE 2.7Å; D7-R9 IonicContact OD2-NH2 2.7Å; D7-R9 PolarHBondContact OD2-NH2 3.05Å
10R83.1Confident77.5Confident234 Ų234146 Ų14688%0.88376%0.764SS**PPolyproline II helixtrans-78.5140.3173.7-63.6-175.8-178.8-160.2-0.4109.7T8T8-R10 PolarHBondContact O-N 3.47Å
11L88.3Confident77.7Confident164 Ų164141.4 Ų141.486%0.85975%0.748SS**PPolyproline II helixtrans-62.7141.8165.2-62.9176.4000109.1S13L11-S13 PolarHBondContact O-N 2.66Å; L11-S13 VanDerWaalsContact O-N 3.14Å
12F86.3Confident79.3Confident220 Ų220139.7 Ų139.797%0.96573%0.729SS**  trans-64.7113.5171.2-73.6-80.1000109.1
13S86.7Confident80.5Confident105 Ų105136.9 Ų136.973%0.73471%0.71SS**PPolyproline II helixtrans-97.2145.2171.659.20000110.4L11L11-S13 PolarHBondContact O-N 2.66Å; L11-S13 VanDerWaalsContact O-N 3.14Å
14K88.2Confident81.2Confident199 Ų199135.3 Ų135.387%0.86571%0.708SS**PPolyproline II helixtrans-67.8131.8171.2-171.2177.8178.7-179.40108.4Q16K14-Q16 PolarHBondContact O-N 2.83Å
15P87.1Confident81.9Confident113 Ų113133.3 Ų133.373%0.73470%0.697SS**PPolyproline II helixtrans-61137.4176.224.3-32.6000110.2
16Q85.2Confident82.4Confident143 Ų143130.9 Ų130.967%0.66869%0.694SS**PPolyproline II helixtrans-66.7136.4177.6-172.1173.85.400109.9K14 D20 A21K14-Q16 PolarHBondContact O-N 2.83Å; Q16-D20 HydrophobicContact CG-CB 4.01Å; Q16-D20 PolarHBondContact NE2-O 3.28Å; Q16-A21 HydrophobicContact CG-CB 4.46Å
17N89.4Confident83.2Confident92 Ų92132 Ų13249%0.49269%0.689SS.*PPolyproline II helixtrans-74.8148.8175.8-166.6-51.9000110.2N19 D20 A21N17-N19 PolarHBondContact O-N 3.36Å; N17-N19 PolarHBondContact OD1-N 3.32Å; N17-D20 HydrophobicContact CB-CB 4.47Å; N17-D20 PolarHBondContact O-N 3.42Å; N17-A21 PolarHBondContact O-N 3.05Å
18L82.8Confident83.8Confident125 Ų125130.8 Ų130.865%0.65468%0.678SS**Hα-helixtrans-57.3-36.4174.7-65.5177000112.4D20 A21 Y22L18-D20 VanDerWaalsContact C-N 3.32Å; L18-D20 PolarHBondContact O-N 3.24Å; L18-A21 PolarHBondContact O-N 3.17Å; L18-Y22 HydrophobicContact CD2-CE2 4.13Å; L18-Y22 WeakPolarHBondContact O-CD2 3.18Å; L18-Y22 PolarHBondContact O-N 3.36Å
19N82.6Confident84.4Confident128 Ų128126.5 Ų126.568%0.68465%0.651SS**Hα-helixtrans-66-35.1175.8-76.9-7000112.4N17 A21 G23N17-N19 PolarHBondContact O-N 3.36Å; N17-N19 PolarHBondContact OD1-N 3.32Å; N19-A21 VanDerWaalsContact C-N 3.33Å; N19-G23 VanDerWaalsContact O-CA 3.23Å; N19-G23 WeakPolarHBondContact O-CA 3.36Å; N19-G23 PolarHBondContact O-N 3.14Å
20D82.8Confident84.8Confident119 Ų119122.1 Ų122.164%0.63664%0.639SS**Hα-helixtrans-76.8-24.3176.4-62.5-26.9000111.8Q16 N17 L18Q16-D20 HydrophobicContact CG-CB 4.01Å; Q16-D20 PolarHBondContact NE2-O 3.28Å; N17-D20 HydrophobicContact CB-CB 4.47Å; N17-D20 PolarHBondContact O-N 3.42Å; L18-D20 VanDerWaalsContact C-N 3.32Å; L18-D20 PolarHBondContact O-N 3.24Å
21A82Confident85.5Confident50 Ų50111.1 Ų111.141%0.41360%0.597SS.*Hα-helixtrans-80.8-35.7179.900000112.8Q16 N17 L18 N19Q16-A21 HydrophobicContact CG-CB 4.46Å; N17-A21 PolarHBondContact O-N 3.05Å; L18-A21 PolarHBondContact O-N 3.17Å; N19-A21 VanDerWaalsContact C-N 3.33Å
22Y83.6Confident86Confident198 Ų198106.7 Ų106.778%0.77657%0.574SS**Hα-helixtrans-117.1-2.1-174.8-61.1-74.4000114.3L18L18-Y22 HydrophobicContact CD2-CE2 4.13Å; L18-Y22 WeakPolarHBondContact O-CD2 3.18Å; L18-Y22 PolarHBondContact O-N 3.36Å
23G77.9Confident86.5Confident36 Ų3696.2 Ų96.237%0.37153%0.529SS..SBendtrans-70.3161.1176.800000113N19N19-G23 VanDerWaalsContact O-CA 3.23Å; N19-G23 WeakPolarHBondContact O-CA 3.36Å; N19-G23 PolarHBondContact O-N 3.14Å
24P73.6Confident87Confident116 Ų11692.1 Ų92.175%0.75350%0.5SS*.PPolyproline II helixtrans-58.7148.5171.426.6-33.4000110S26P24-S26 PolarHBondContact O-N 3.38Å
25P76Confident87.4Confident93 Ų9386.1 Ų86.160%0.60448%0.477SS*.PPolyproline II helixtrans-54.3136.7179.620.8-31.3000110.3N27 N56P25-N27 PolarHBondContact O-N 2.71Å; P25-N56 PolarHBondContact O-ND2 3.17Å; P25-N56 VanDerWaalsContact O-ND2 3.16Å
26S76.3Confident87.9Confident103 Ų10383.5 Ų83.572%0.7246%0.46SS*.SBendtrans-59.7-25.9-170.6390000113.2P24 N56P24-S26 PolarHBondContact O-N 3.38Å; S26-N56 PolarHBondContact O-ND2 3.48Å; S26-N56 VanDerWaalsContact O-ND2 3.15Å
27N86.4Confident88.4Confident107 Ų10781.1 Ų81.157%0.57245%0.449SS*.  trans-142.4121.4177.9-63.4-50.9000110.8P25 N56 L57P25-N27 PolarHBondContact O-N 2.71Å; N27-N56 VanDerWaalsContact CA-OD1 3.29Å; N27-N56 WeakPolarHBondContact CA-OD1 3.21Å; N27-L57 HydrophobicContact CB-CD2 3.77Å; N27-L57 WeakPolarHBondContact OD1-CD2 3.47Å
28F92.4Very high88.7Confident74 Ų7479.9 Ų79.933%0.32545%0.445SS..  trans-132.5149.5168.578.6-93.3000110.6E30 K54 T55 N56F28-E30 HydrophobicContact CD2-CG 4.35Å; F28-K54 HydrophobicContact CE2-CB 4.15Å; F28-T55 WeakPolarHBondContact O-CA 3.12Å; F28-T55 WeakPolarHBondContact O-CB 3.38Å; F28-T55 PolarHBondContact O-OG1 3.31Å; F28-N56 HydrophobicContact CD1-CB 3.9Å; F28-N56 WeakPolarHBondContact CD1-ND2 3.21Å; F28-N56 HydrophobicContact CE1-CB 3.59Å; F28-N56 HydrophobicContact CZ-CB 4.34Å; F28-N56 PolarHBondContact N-OD1 3.42Å; F28-N56 PolarHBondContact O-N 2.55Å; F28-N56 PolarHBondContact O-OD1 2.63Å
29L94.6Very high89.2Confident38 Ų3877.4 Ų77.420%0.19943%0.432CS..EExtended strand (participates in β ladder)trans-147.4116.4177.6174.566000107.4I31 L53 T55 L57 F60 A130L29-I31 HydrophobicContact CD1-CD1 4.43Å; L29-I31 HydrophobicContact CD1-CG1 4.35Å; L29-L53 HydrophobicContact CD1-CD1 3.35Å; L29-T55 HydrophobicContact CD1-CG2 4.3Å; L29-L57 HydrophobicContact CB-CD1 4.01Å; L29-L57 HydrophobicContact CD2-CD1 4.26Å; L29-F60 HydrophobicContact CD1-CE2 3.98Å; L29-F60 HydrophobicContact CD1-CZ 4.2Å; L29-A130 VanDerWaalsContact CD2-C 3.41Å; L29-A130 HydrophobicContact CD2-CB 3.84Å; L29-A130 WeakPolarHBondContact CD2-O 3.37Å
30E95.4Very high89.7Confident108 Ų10873.4 Ų73.451%0.50542%0.42SS..EExtended strand (participates in β ladder)trans-125.9126.1-179.6-66.4173.8-174.100108.3F28 L53 K54F28-E30 HydrophobicContact CD2-CG 4.35Å; E30-L53 WeakPolarHBondContact O-CA 3.34Å; E30-K54 PolarHBondContact N-O 2.99Å; E30-K54 PolarHBondContact O-N 3.35Å
31I97.9Very high90Very high2 Ų273.7 Ų73.71%0.0143%0.426CS..EExtended strand (participates in β ladder)trans-127.6119.8176-58.2177.1000108.8L29 I51 R52 L53 L126 N127 A130 L145L29-I31 HydrophobicContact CD1-CD1 4.43Å; L29-I31 HydrophobicContact CD1-CG1 4.35Å; I31-I51 HydrophobicContact CG2-CG2 3.73Å; I31-R52 CarbonylContact C-O 3.58Å; I31-R52 VanDerWaalsContact CA-O 3.29Å; I31-R52 WeakPolarHBondContact CA-O 3.4Å; I31-L53 HydrophobicContact CD1-CD1 4.11Å; I31-L53 HydrophobicContact CG1-CD1 3.69Å; I31-L126 HydrophobicContact CG2-CB 4.17Å; I31-L126 HydrophobicContact CG2-CD1 4.15Å; I31-N127 PolarHBondContact N-OD1 3.44Å; I31-N127 PolarHBondContact O-ND2 3.25Å; I31-A130 HydrophobicContact CD1-CB 3.33Å; I31-L145 HydrophobicContact CD1-CD1 3.93Å; I31-L145 HydrophobicContact CD1-CD2 4.08Å
32D98.2Very high90.2Very high71 Ų7173.9 Ų73.938%0.3843%0.433SS..EExtended strand (participates in β ladder)trans-105.4137.8173.4-59.3-32.2000110I51 R52 E123D32-I51 CarbonylContact O-C 3.58Å; D32-I51 WeakPolarHBondContact O-CA 3.42Å; D32-R52 HydrophobicContact CB-CB 4.41Å; D32-R52 PolarHBondContact N-O 2.96Å; D32-R52 PolarHBondContact O-N 3.08Å; D32-R52 IonicContact OD2-NE 3.21Å; D32-R52 IonicContact OD2-NH2 3.52Å; D32-E123 WeakPolarHBondContact CA-OE2 3.37Å
33V98.1Very high90.2Very high1 Ų176.9 Ų76.91%0.00644%0.443CS..EExtended strand (participates in β ladder)trans-112.1120.6168-175.50000107.6Y49 E50 I51 R119 L122 E123 L126V33-Y49 HydrophobicContact CG1-CD1 4.22Å; V33-Y49 HydrophobicContact CG1-CG 4Å; V33-E50 CarbonylContact C-O 3.58Å; V33-E50 WeakPolarHBondContact CA-O 3.35Å; V33-I51 HydrophobicContact CG2-CG1 4.43Å; V33-R119 HydrophobicContact CB-CG 4.28Å; V33-R119 HydrophobicContact CG1-CG 3.97Å; V33-R119 WeakPolarHBondContact O-CD 3.1Å; V33-R119 WeakPolarHBondContact O-CG 3.49Å; V33-R119 PolarHBondContact O-NH1 2.95Å; V33-L122 HydrophobicContact CG1-CB 4.46Å; V33-E123 HydrophobicContact CB-CB 3.97Å; V33-E123 HydrophobicContact CG2-CB 3.9Å; V33-E123 HydrophobicContact CG2-CG 4.44Å; V33-E123 PolarHBondContact N-OE2 2.81Å; V33-L126 HydrophobicContact CG2-CD1 3.79Å
34S97.3Very high90.7Very high18 Ų1880.2 Ų80.213%0.12646%0.457CS..EExtended strand (participates in β ladder)trans-152.4-172.9-172.763.20000112.2E50 R52S34-E50 PolarHBondContact N-O 3.14Å; S34-E50 WeakPolarHBondContact O-CB 3.44Å; S34-E50 PolarHBondContact O-N 3.23Å; S34-R52 PolarHBondContact OG-NH1 2.98Å; S34-R52 PolarHBondContact OG-NH2 3.21Å
35N96.9Very high91.6Very high73 Ų7379.3 Ų79.339%0.3944%0.438SS..EExtended strand (participates in β ladder)trans47.662174.5-59.6-16.4000113.2E37 E50 R68N35-E37 PolarHBondContact O-N 3.41Å; N35-E50 HydrophobicContact CB-CB 3.99Å; N35-E50 PolarHBondContact ND2-OE2 3.15Å; N35-R68 PolarHBondContact O-NH2 2.93Å
36P96.9Very high92.4Very high58 Ų5878.4 Ų78.438%0.37743%0.425SS..EExtended strand (participates in β ladder)trans-62.8128175.628.2-33.7000110.1T47 T48 Y49 I115P36-T47 HydrophobicContact CB-CG2 3.93Å; P36-T48 CarbonylContact C-O 3.57Å; P36-T48 VanDerWaalsContact CA-O 3.31Å; P36-T48 WeakPolarHBondContact CA-O 3.48Å; P36-Y49 HydrophobicContact CB-CD1 4.04Å; P36-Y49 HydrophobicContact CB-CE1 3.96Å; P36-I115 HydrophobicContact CB-CG2 3.26Å; P36-I115 HydrophobicContact CG-CG2 3.56Å
37E95.9Very high93.3Very high93 Ų9374 Ų7444%0.43539%0.394SS..EExtended strand (participates in β ladder)trans-130128.7174.3-66.6168.1-157.500109.9N35 T47 T48 R68N35-E37 PolarHBondContact O-N 3.41Å; E37-T47 CarbonylContact O-C 3.59Å; E37-T47 WeakPolarHBondContact O-CA 3.44Å; E37-T48 PolarHBondContact N-O 3.39Å; E37-T48 PolarHBondContact O-N 2.79Å; E37-T48 PolarHBondContact O-OG1 2.94Å; E37-R68 VanDerWaalsContact CB-NH2 3.3Å; E37-R68 VanDerWaalsContact CD-NH2 3.29Å; E37-R68 IonicContact OE1-CZ 3.44Å; E37-R68 IonicContact OE1-NH1 3.46Å; E37-R68 PolarHBondContact OE1-NH1 3.28Å; E37-R68 IonicContact OE1-NH2 3.77Å; E37-R68 IonicContact OE2-CZ 3.94Å; E37-R68 IonicContact OE2-NE 2.98Å; E37-R68 IonicContact OE2-NH1 3.91Å; E37-R68 PolarHBondContact OE2-NH1 3.11Å; E37-R68 IonicContact OE2-NH2 3.79Å; E37-R68 PolarHBondContact OE2-NH2 3.29Å
38T94.7Very high93.8Very high66 Ų6669.4 Ų69.441%0.40537%0.369SS..EExtended strand (participates in β ladder)trans-85.5114.5173.6-61.60000109.3R45 F46 T47 F110T38-R45 HydrophobicContact CG2-CB 4.16Å; T38-R45 HydrophobicContact CG2-CG 4.28Å; T38-F46 WeakPolarHBondContact CA-O 3.28Å; T38-T47 PolarHBondContact OG1-OG1 3.13Å; T38-F110 HydrophobicContact CG2-CD1 3.8Å; T38-F110 HydrophobicContact CG2-CE1 3.88Å
39I94.1Very high94.1Very high74 Ų7465.9 Ų65.938%0.37935%0.354SS..EExtended strand (participates in β ladder)trans-105.3142.5-179.6-55.8-178.9000108.9R45 F46 T48I39-R45 CarbonylContact O-C 3.53Å; I39-R45 WeakPolarHBondContact O-CA 3.28Å; I39-F46 HydrophobicContact CB-CE2 4.2Å; I39-F46 HydrophobicContact CB-CZ 4.2Å; I39-F46 HydrophobicContact CG2-CZ 4.24Å; I39-F46 PolarHBondContact N-O 3.46Å; I39-F46 PolarHBondContact O-N 2.99Å; I39-T48 HydrophobicContact CD1-CG2 3.64Å; I39-T48 HydrophobicContact CG1-CG2 4.29Å
40G92.4Very high94.3Very high43 Ų4364.2 Ų64.244%0.44335%0.345SS..SBendtrans98.1179.5177.900000113.3
41V89.3Confident94.4Very high126 Ų12659.1 Ų59.176%0.76432%0.321SS*.SBendtrans-134.4140.4-172.1-177.20000110R43 T44V41-R43 PolarHBondContact O-N 3.49Å; V41-T44 PolarHBondContact O-N 2.93Å; V41-T44 PolarHBondContact O-OG1 3.05Å; V41-T44 VanDerWaalsContact O-OG1 3.05Å
42G85.9Confident94.4Very high54 Ų5462.7 Ų62.756%0.55734%0.335SS*.G310 helixtrans61.1-125.2176.900000112.5T44 R45G42-T44 VanDerWaalsContact C-N 3.33Å; G42-T44 PolarHBondContact O-N 3.31Å; G42-R45 WeakPolarHBondContact O-CD 3.01Å; G42-R45 VanDerWaalsContact O-CG 3.29Å; G42-R45 WeakPolarHBondContact O-CG 3.12Å
43R83.4Confident94.4Very high260 Ų26059.4 Ų59.498%0.98132%0.317SS*.G310 helixtrans-76.7-15-174.9-67.3-175.7176.9175.3-0.8114.5V41V41-R43 PolarHBondContact O-N 3.49Å
44T88.3Confident94.4Very high107 Ų10764 Ų6466%0.65634%0.337SS*.G310 helixtrans-96.36.5-178.959.60000112.7V41 G42 F46V41-T44 PolarHBondContact O-N 2.93Å; V41-T44 PolarHBondContact O-OG1 3.05Å; V41-T44 VanDerWaalsContact O-OG1 3.05Å; G42-T44 VanDerWaalsContact C-N 3.33Å; G42-T44 PolarHBondContact O-N 3.31Å; T44-F46 WeakPolarHBondContact O-CD1 3.45Å
45R92.3Very high94.3Very high97 Ų9763.2 Ų63.237%0.36633%0.332SS..  trans-74140.1-177.181.1-174.9-151.6172.52.4111.6T38 I39 G42 F110T38-R45 HydrophobicContact CG2-CB 4.16Å; T38-R45 HydrophobicContact CG2-CG 4.28Å; I39-R45 CarbonylContact O-C 3.53Å; I39-R45 WeakPolarHBondContact O-CA 3.28Å; G42-R45 WeakPolarHBondContact O-CD 3.01Å; G42-R45 VanDerWaalsContact O-CG 3.29Å; G42-R45 WeakPolarHBondContact O-CG 3.12Å; R45-F110 HydrophobicContact CB-CE1 4.49Å; R45-F110 HydrophobicContact CB-CZ 4.47Å; R45-F110 HydrophobicContact CG-CD1 4.39Å; R45-F110 HydrophobicContact CG-CE1 3.53Å; R45-F110 HydrophobicContact CG-CE2 3.93Å; R45-F110 HydrophobicContact CG-CZ 3.24Å; R45-F110 VanDerWaalsContact CZ-CD2 3.46Å; R45-F110 WeakPolarHBondContact O-CZ 3.25Å
46F93.6Very high94.1Very high73 Ų7362 Ų6232%0.3233%0.325SS..EExtended strand (participates in β ladder)trans-147.8151178.258.3-90.4000111.2T38 I39 T44 T48 R70T38-F46 WeakPolarHBondContact CA-O 3.28Å; I39-F46 HydrophobicContact CB-CE2 4.2Å; I39-F46 HydrophobicContact CB-CZ 4.2Å; I39-F46 HydrophobicContact CG2-CZ 4.24Å; I39-F46 PolarHBondContact N-O 3.46Å; I39-F46 PolarHBondContact O-N 2.99Å; T44-F46 WeakPolarHBondContact O-CD1 3.45Å; F46-T48 HydrophobicContact CD2-CG2 3.79Å; F46-T48 HydrophobicContact CE2-CG2 3.5Å; F46-R70 HydrophobicContact CD2-CB 4.04Å; F46-R70 HydrophobicContact CE2-CB 4.5Å
47T95.6Very high93.9Very high12 Ų1260.3 Ų60.37%0.07431%0.312CS..EExtended strand (participates in β ladder)trans-90.3129.8177.5-47.60000110.6P36 E37 T38 Y49 I115P36-T47 HydrophobicContact CB-CG2 3.93Å; E37-T47 CarbonylContact O-C 3.59Å; E37-T47 WeakPolarHBondContact O-CA 3.44Å; T38-T47 PolarHBondContact OG1-OG1 3.13Å; T47-Y49 HydrophobicContact CG2-CE1 4.26Å; T47-Y49 HydrophobicContact CG2-CE2 4.42Å; T47-I115 HydrophobicContact CG2-CD1 4.26Å; T47-I115 HydrophobicContact CG2-CG1 4.42Å; T47-I115 HydrophobicContact CG2-CG2 4.34Å
48T97.4Very high93.7Very high9 Ų961 Ų616%0.05533%0.325CS..EExtended strand (participates in β ladder)trans-107152.5169.862.60000109.9P36 E37 I39 F46 R68 R69 R70P36-T48 CarbonylContact C-O 3.57Å; P36-T48 VanDerWaalsContact CA-O 3.31Å; P36-T48 WeakPolarHBondContact CA-O 3.48Å; E37-T48 PolarHBondContact N-O 3.39Å; E37-T48 PolarHBondContact O-N 2.79Å; E37-T48 PolarHBondContact O-OG1 2.94Å; I39-T48 HydrophobicContact CD1-CG2 3.64Å; I39-T48 HydrophobicContact CG1-CG2 4.29Å; F46-T48 HydrophobicContact CD2-CG2 3.79Å; F46-T48 HydrophobicContact CE2-CG2 3.5Å; T48-R68 PolarHBondContact O-NH2 3.02Å; T48-R68 PolarHBondContact OG1-NE 3.24Å; T48-R68 PolarHBondContact OG1-NH2 3.15Å; T48-R69 CarbonylContact C-O 3.57Å; T48-R69 WeakPolarHBondContact CA-O 3.27Å; T48-R70 HydrophobicContact CG2-CB 4.24Å
49Y98Very high93.6Very high1 Ų158.8 Ų58.80%0.00431%0.311CS..EExtended strand (participates in β ladder)trans-121.7142.4177.1-53.8-88.3000108.9V33 P36 T47 R68 R69 I115 R118 R119 L122V33-Y49 HydrophobicContact CG1-CD1 4.22Å; V33-Y49 HydrophobicContact CG1-CG 4Å; P36-Y49 HydrophobicContact CB-CD1 4.04Å; P36-Y49 HydrophobicContact CB-CE1 3.96Å; T47-Y49 HydrophobicContact CG2-CE1 4.26Å; T47-Y49 HydrophobicContact CG2-CE2 4.42Å; Y49-R68 WeakPolarHBondContact O-CA 3.47Å; Y49-R69 PolarHBondContact N-O 3.15Å; Y49-R69 PolarHBondContact O-N 3.06Å; Y49-I115 HydrophobicContact CE1-CG2 4.07Å; Y49-R118 WeakPolarHBondContact OH-CD 3.36Å; Y49-R119 HydrophobicContact CD1-CB 4.13Å; Y49-R119 HydrophobicContact CD1-CG 4.14Å; Y49-R119 HydrophobicContact CE1-CB 3.92Å; Y49-R119 HydrophobicContact CE1-CG 4.43Å; Y49-L122 HydrophobicContact CD2-CD1 3.75Å; Y49-L122 HydrophobicContact CE2-CD1 3.63Å; Y49-L122 HydrophobicContact CG-CD1 4.37Å
50E98.3Very high93.6Very high3 Ų355.4 Ų55.41%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-80.8127.5168.4-177.7-176.5137.200109.8V33 S34 N35 R52 R66V33-E50 CarbonylContact C-O 3.58Å; V33-E50 WeakPolarHBondContact CA-O 3.35Å; S34-E50 PolarHBondContact N-O 3.14Å; S34-E50 WeakPolarHBondContact O-CB 3.44Å; S34-E50 PolarHBondContact O-N 3.23Å; N35-E50 HydrophobicContact CB-CB 3.99Å; N35-E50 PolarHBondContact ND2-OE2 3.15Å; E50-R52 HydrophobicContact CG-CG 4.25Å; E50-R52 WeakPolarHBondContact OE1-CD 3.25Å; E50-R52 WeakPolarHBondContact OE1-CG 3.44Å; E50-R52 IonicContact OE1-CZ 2.91Å; E50-R52 IonicContact OE1-NE 3.02Å; E50-R52 IonicContact OE1-NH1 3.77Å; E50-R52 PolarHBondContact OE1-NH1 3.28Å; E50-R66 VanDerWaalsContact CD-CZ 3.47Å; E50-R66 VanDerWaalsContact CD-NH2 3.31Å; E50-R66 HydrophobicContact CG-CG 3.87Å; E50-R66 IonicContact OE1-CZ 2.83Å; E50-R66 VanDerWaalsContact OE1-CZ 3.29Å; E50-R66 IonicContact OE1-NE 2.79Å; E50-R66 PolarHBondContact OE1-NE 3.39Å; E50-R66 IonicContact OE1-NH2 2.71Å; E50-R66 PolarHBondContact OE1-NH2 3.44Å; E50-R66 IonicContact OE2-CZ 3.91Å; E50-R66 VanDerWaalsContact OE2-CZ 3.24Å; E50-R66 IonicContact OE2-NE 2.92Å; E50-R66 PolarHBondContact OE2-NE 2.93Å; E50-R66 VanDerWaalsContact OE2-NE 3.13Å; E50-R66 IonicContact OE2-NH2 3.11Å; E50-R66 PolarHBondContact OE2-NH2 3.26Å
51I98.5Very high93.7Very high1 Ų162.1 Ų62.11%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-107.3122.6173.9-54.2176.8000107.4I31 D32 V33 R66 V67 R69 F74 L126 F144 L145I31-I51 HydrophobicContact CG2-CG2 3.73Å; D32-I51 CarbonylContact O-C 3.58Å; D32-I51 WeakPolarHBondContact O-CA 3.42Å; V33-I51 HydrophobicContact CG2-CG1 4.43Å; I51-R66 WeakPolarHBondContact O-CA 3.32Å; I51-V67 HydrophobicContact CB-CG2 3.92Å; I51-V67 HydrophobicContact CD1-CG2 4.42Å; I51-V67 PolarHBondContact N-O 3.04Å; I51-V67 PolarHBondContact O-N 2.93Å; I51-R69 HydrophobicContact CD1-CB 3.76Å; I51-R69 HydrophobicContact CD1-CG 3.44Å; I51-R69 VanDerWaalsContact CD1-CG 3.44Å; I51-R69 HydrophobicContact CG1-CG 4.41Å; I51-F74 HydrophobicContact CD1-CE1 4.48Å; I51-F74 HydrophobicContact CD1-CE2 4.28Å; I51-F74 HydrophobicContact CD1-CZ 3.75Å; I51-F74 HydrophobicContact CG1-CZ 4.36Å; I51-L126 HydrophobicContact CD1-CD1 3.82Å; I51-L126 HydrophobicContact CG1-CD1 4.31Å; I51-L126 HydrophobicContact CG2-CD1 4.11Å; I51-F144 HydrophobicContact CD1-CD1 4.35Å; I51-F144 HydrophobicContact CD1-CE1 3.39Å; I51-F144 HydrophobicContact CD1-CZ 3.7Å; I51-L145 HydrophobicContact CG2-CD2 3.91Å
52R98.4Very high93.9Very high77 Ų7759.7 Ų59.729%0.29129%0.293SS..EExtended strand (participates in β ladder)trans-111.3125.8172.4-66.1-173-66-93.4-3.2109.1I31 D32 S34 E50 S65 R66I31-R52 CarbonylContact C-O 3.58Å; I31-R52 VanDerWaalsContact CA-O 3.29Å; I31-R52 WeakPolarHBondContact CA-O 3.4Å; D32-R52 HydrophobicContact CB-CB 4.41Å; D32-R52 PolarHBondContact N-O 2.96Å; D32-R52 PolarHBondContact O-N 3.08Å; D32-R52 IonicContact OD2-NE 3.21Å; D32-R52 IonicContact OD2-NH2 3.52Å; S34-R52 PolarHBondContact OG-NH1 2.98Å; S34-R52 PolarHBondContact OG-NH2 3.21Å; E50-R52 HydrophobicContact CG-CG 4.25Å; E50-R52 WeakPolarHBondContact OE1-CD 3.25Å; E50-R52 WeakPolarHBondContact OE1-CG 3.44Å; E50-R52 IonicContact OE1-CZ 2.91Å; E50-R52 IonicContact OE1-NE 3.02Å; E50-R52 IonicContact OE1-NH1 3.77Å; E50-R52 PolarHBondContact OE1-NH1 3.28Å; R52-S65 WeakPolarHBondContact CA-O 3.49Å; R52-R66 HydrophobicContact CG-CG 4.28Å
53L97.8Very high94.3Very high2 Ų261.7 Ų61.71%0.0129%0.286CS..EExtended strand (participates in β ladder)trans-109134.6174.7167.469.6000108.8L29 E30 I31 T55 F60 E64 S65 L145 Q146L29-L53 HydrophobicContact CD1-CD1 3.35Å; E30-L53 WeakPolarHBondContact O-CA 3.34Å; I31-L53 HydrophobicContact CD1-CD1 4.11Å; I31-L53 HydrophobicContact CG1-CD1 3.69Å; L53-T55 HydrophobicContact CD1-CG2 4.14Å; L53-T55 HydrophobicContact CD2-CG2 4.41Å; L53-T55 HydrophobicContact CG-CG2 4.3Å; L53-F60 HydrophobicContact CD2-CD1 3.96Å; L53-F60 HydrophobicContact CD2-CE1 4.31Å; L53-F60 HydrophobicContact CD2-CG 4.48Å; L53-E64 VanDerWaalsContact O-CA 3.24Å; L53-E64 WeakPolarHBondContact O-CA 3.34Å; L53-S65 WeakPolarHBondContact CB-OG 3.47Å; L53-S65 PolarHBondContact N-O 2.81Å; L53-S65 PolarHBondContact O-N 3.35Å; L53-S65 VanDerWaalsContact O-N 3.08Å; L53-L145 HydrophobicContact CD2-CB 4.34Å; L53-Q146 HydrophobicContact CD2-CG 4.26Å
54K96.9Very high95Very high96 Ų9655.5 Ų55.542%0.41727%0.268SS..EExtended strand (participates in β ladder)trans-132.2127.6164.6-62.8-173.7177.6178.50109.9F28 E30 K63 E64F28-K54 HydrophobicContact CE2-CB 4.15Å; E30-K54 PolarHBondContact N-O 2.99Å; E30-K54 PolarHBondContact O-N 3.35Å; K54-K63 CarbonylContact C-O 3.4Å; K54-K63 WeakPolarHBondContact CA-O 3.47Å; K54-E64 HydrophobicContact CG-CG 4.14Å
55T95.7Very high95.4Very high3 Ų351.2 Ų51.22%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-158.9149.2-178.9-173.30000112.2F28 L29 L53 L57 F60 K63F28-T55 WeakPolarHBondContact O-CA 3.12Å; F28-T55 WeakPolarHBondContact O-CB 3.38Å; F28-T55 PolarHBondContact O-OG1 3.31Å; L29-T55 HydrophobicContact CD1-CG2 4.3Å; L53-T55 HydrophobicContact CD1-CG2 4.14Å; L53-T55 HydrophobicContact CD2-CG2 4.41Å; L53-T55 HydrophobicContact CG-CG2 4.3Å; T55-L57 VanDerWaalsContact OG1-CB 3.31Å; T55-L57 WeakPolarHBondContact OG1-CB 3.47Å; T55-L57 WeakPolarHBondContact OG1-CG 3.48Å; T55-L57 PolarHBondContact OG1-N 2.92Å; T55-F60 HydrophobicContact CG2-CB 3.82Å; T55-F60 HydrophobicContact CG2-CD2 3.75Å; T55-F60 HydrophobicContact CG2-CG 3.87Å; T55-K63 PolarHBondContact N-O 2.99Å; T55-K63 WeakPolarHBondContact O-CA 3.23Å; T55-K63 WeakPolarHBondContact O-CB 3.42Å; T55-K63 VanDerWaalsContact O-CD 3.29Å; T55-K63 WeakPolarHBondContact O-CD 3.29Å
56N93.1Very high95.7Very high48 Ų4854.8 Ų54.826%0.25726%0.256SS..  trans-95.6-7.1166.663.9-3.2000113P25 S26 N27 F28 K63P25-N56 PolarHBondContact O-ND2 3.17Å; P25-N56 VanDerWaalsContact O-ND2 3.16Å; S26-N56 PolarHBondContact O-ND2 3.48Å; S26-N56 VanDerWaalsContact O-ND2 3.15Å; N27-N56 VanDerWaalsContact CA-OD1 3.29Å; N27-N56 WeakPolarHBondContact CA-OD1 3.21Å; F28-N56 HydrophobicContact CD1-CB 3.9Å; F28-N56 WeakPolarHBondContact CD1-ND2 3.21Å; F28-N56 HydrophobicContact CE1-CB 3.59Å; F28-N56 HydrophobicContact CZ-CB 4.34Å; F28-N56 PolarHBondContact N-OD1 3.42Å; F28-N56 PolarHBondContact O-N 2.55Å; F28-N56 PolarHBondContact O-OD1 2.63Å; N56-K63 PolarHBondContact O-NZ 3.48Å
57L92.7Very high95.9Very high21 Ų2151.7 Ų51.711%0.1124%0.243CC..  trans-57.5133.5-175-70174.7000111.7N27 L29 T55 I59 F60 K63N27-L57 HydrophobicContact CB-CD2 3.77Å; N27-L57 WeakPolarHBondContact OD1-CD2 3.47Å; L29-L57 HydrophobicContact CB-CD1 4.01Å; L29-L57 HydrophobicContact CD2-CD1 4.26Å; T55-L57 VanDerWaalsContact OG1-CB 3.31Å; T55-L57 WeakPolarHBondContact OG1-CB 3.47Å; T55-L57 WeakPolarHBondContact OG1-CG 3.48Å; T55-L57 PolarHBondContact OG1-N 2.92Å; L57-I59 VanDerWaalsContact C-N 3.27Å; L57-I59 HydrophobicContact CB-CG2 4.34Å; L57-I59 PolarHBondContact O-N 3.37Å; L57-F60 HydrophobicContact CB-CD2 3.87Å; L57-F60 HydrophobicContact CB-CE2 4.36Å; L57-F60 HydrophobicContact CD1-CD2 4.23Å; L57-F60 HydrophobicContact CD1-CE2 3.88Å; L57-F60 PolarHBondContact O-N 2.97Å; L57-K63 PolarHBondContact O-NZ 3.3Å
58P91.7Very high96Very high107 Ų10754.7 Ų54.770%0.69525%0.253SS*.THydrogen-bonded Turntrans-71.6-20.3-175.328-34.9000113.6F60P58-F60 VanDerWaalsContact C-N 3.25Å; P58-F60 PolarHBondContact O-N 3.26Å
59I92.9Very high96Very high21 Ų2154.6 Ų54.611%0.10825%0.252CS..THydrogen-bonded Turntrans-68.8-24.8-179.7-164.8153.8000113.1L57 Q136 N137 H142 I159L57-I59 VanDerWaalsContact C-N 3.27Å; L57-I59 HydrophobicContact CB-CG2 4.34Å; L57-I59 PolarHBondContact O-N 3.37Å; I59-Q136 HydrophobicContact CD1-CB 3.93Å; I59-Q136 VanDerWaalsContact CD1-O 3.25Å; I59-Q136 WeakPolarHBondContact CD1-O 3.42Å; I59-Q136 HydrophobicContact CG2-CB 4.29Å; I59-N137 WeakPolarHBondContact CD1-OD1 3.34Å; I59-H142 PolarHBondContact O-CE1 2.94Å; I59-I159 HydrophobicContact CG1-CG2 4.29Å
60F93.9Very high95.9Very high3 Ų358.9 Ų58.91%0.01327%0.268CS..SBendtrans-87.3127.5177.1-71-79.8000110.1L29 L53 T55 L57 P58 H142 L145L29-F60 HydrophobicContact CD1-CE2 3.98Å; L29-F60 HydrophobicContact CD1-CZ 4.2Å; L53-F60 HydrophobicContact CD2-CD1 3.96Å; L53-F60 HydrophobicContact CD2-CE1 4.31Å; L53-F60 HydrophobicContact CD2-CG 4.48Å; T55-F60 HydrophobicContact CG2-CB 3.82Å; T55-F60 HydrophobicContact CG2-CD2 3.75Å; T55-F60 HydrophobicContact CG2-CG 3.87Å; L57-F60 HydrophobicContact CB-CD2 3.87Å; L57-F60 HydrophobicContact CB-CE2 4.36Å; L57-F60 HydrophobicContact CD1-CD2 4.23Å; L57-F60 HydrophobicContact CD1-CE2 3.88Å; L57-F60 PolarHBondContact O-N 2.97Å; P58-F60 VanDerWaalsContact C-N 3.25Å; P58-F60 PolarHBondContact O-N 3.26Å; F60-H142 AromaticContact CD1-CE1 3.67Å; F60-H142 AromaticContact CD1-ND1 3.66Å; F60-H142 AromaticContact CE1-CE1 3.89Å; F60-L145 HydrophobicContact CE1-CD1 3.89Å; F60-L145 HydrophobicContact CZ-CD1 4.45Å
61K93.4Very high95.8Very high183 Ų18359.9 Ų59.980%0.79627%0.272SS*.SBendtrans-62.6-46.3179.9-176.5-175.6177.2-174.40111.9
62L94.9Very high95.6Very high76 Ų7661.4 Ų61.440%0.39828%0.282SS..  trans-100.5134.5176.1-55178.2000110.3E64 Q146L62-E64 WeakPolarHBondContact CB-O 3.48Å; L62-Q146 HydrophobicContact CD1-CB 4.32Å; L62-Q146 PolarHBondContact O-NE2 2.82Å
63K94.7Very high95.6Very high95 Ų9558.8 Ų58.841%0.41327%0.274SS..SBendtrans-77.1-28.2175.5-57.4-56.9175.5-177.90112.4K54 T55 N56 L57K54-K63 CarbonylContact C-O 3.4Å; K54-K63 WeakPolarHBondContact CA-O 3.47Å; T55-K63 PolarHBondContact N-O 2.99Å; T55-K63 WeakPolarHBondContact O-CA 3.23Å; T55-K63 WeakPolarHBondContact O-CB 3.42Å; T55-K63 VanDerWaalsContact O-CD 3.29Å; T55-K63 WeakPolarHBondContact O-CD 3.29Å; N56-K63 PolarHBondContact O-NZ 3.48Å; L57-K63 PolarHBondContact O-NZ 3.3Å
64E96.8Very high95.6Very high131 Ų13158.7 Ų58.761%0.61227%0.273SS*.EExtended strand (participates in β ladder)trans-132.9140.3170.5-58-166.6159.400109.5L53 K54 L62L53-E64 VanDerWaalsContact O-CA 3.24Å; L53-E64 WeakPolarHBondContact O-CA 3.34Å; K54-E64 HydrophobicContact CG-CG 4.14Å; L62-E64 WeakPolarHBondContact CB-O 3.48Å
65S97.6Very high95.5Very high16 Ų1657 Ų5711%0.11227%0.267CS..EExtended strand (participates in β ladder)trans-151.5152.617356.20000111R52 L53 L145R52-S65 WeakPolarHBondContact CA-O 3.49Å; L53-S65 WeakPolarHBondContact CB-OG 3.47Å; L53-S65 PolarHBondContact N-O 2.81Å; L53-S65 PolarHBondContact O-N 3.35Å; L53-S65 VanDerWaalsContact O-N 3.08Å; S65-L145 PolarHBondContact OG-O 3.01Å; S65-L145 VanDerWaalsContact OG-O 3.12Å
66R97.9Very high95.5Very high172 Ų17258.4 Ų58.465%0.64927%0.272SS*.EExtended strand (participates in β ladder)trans-133.9115.6179.4-178.7179.9178.2175.35.7108.5E50 I51 R52E50-R66 VanDerWaalsContact CD-CZ 3.47Å; E50-R66 VanDerWaalsContact CD-NH2 3.31Å; E50-R66 HydrophobicContact CG-CG 3.87Å; E50-R66 IonicContact OE1-CZ 2.83Å; E50-R66 VanDerWaalsContact OE1-CZ 3.29Å; E50-R66 IonicContact OE1-NE 2.79Å; E50-R66 PolarHBondContact OE1-NE 3.39Å; E50-R66 IonicContact OE1-NH2 2.71Å; E50-R66 PolarHBondContact OE1-NH2 3.44Å; E50-R66 IonicContact OE2-CZ 3.91Å; E50-R66 VanDerWaalsContact OE2-CZ 3.24Å; E50-R66 IonicContact OE2-NE 2.92Å; E50-R66 PolarHBondContact OE2-NE 2.93Å; E50-R66 VanDerWaalsContact OE2-NE 3.13Å; E50-R66 IonicContact OE2-NH2 3.11Å; E50-R66 PolarHBondContact OE2-NH2 3.26Å; I51-R66 WeakPolarHBondContact O-CA 3.32Å; R52-R66 HydrophobicContact CG-CG 4.28Å
67V97.9Very high95.7Very high9 Ų956.1 Ų56.16%0.05526%0.26CS..EExtended strand (participates in β ladder)trans-132.3156.2-177.9-59.70000110I51 R69 L145 D147I51-V67 HydrophobicContact CB-CG2 3.92Å; I51-V67 HydrophobicContact CD1-CG2 4.42Å; I51-V67 PolarHBondContact N-O 3.04Å; I51-V67 PolarHBondContact O-N 2.93Å; V67-R69 HydrophobicContact CG2-CG 4.47Å; V67-L145 WeakPolarHBondContact CG1-O 3.31Å; V67-L145 WeakPolarHBondContact CG2-O 3.36Å; V67-D147 VanDerWaalsContact CG1-O 3.25Å; V67-D147 WeakPolarHBondContact CG1-O 3.44Å
68R97.5Very high95.8Very high75 Ų7559.3 Ų59.328%0.28327%0.27SS..EExtended strand (participates in β ladder)trans-108.5135.3173.3-64.7-167.275.893.510.8110.7N35 E37 T48 Y49N35-R68 PolarHBondContact O-NH2 2.93Å; E37-R68 VanDerWaalsContact CB-NH2 3.3Å; E37-R68 VanDerWaalsContact CD-NH2 3.29Å; E37-R68 IonicContact OE1-CZ 3.44Å; E37-R68 IonicContact OE1-NH1 3.46Å; E37-R68 PolarHBondContact OE1-NH1 3.28Å; E37-R68 IonicContact OE1-NH2 3.77Å; E37-R68 IonicContact OE2-CZ 3.94Å; E37-R68 IonicContact OE2-NE 2.98Å; E37-R68 IonicContact OE2-NH1 3.91Å; E37-R68 PolarHBondContact OE2-NH1 3.11Å; E37-R68 IonicContact OE2-NH2 3.79Å; E37-R68 PolarHBondContact OE2-NH2 3.29Å; T48-R68 PolarHBondContact O-NH2 3.02Å; T48-R68 PolarHBondContact OG1-NE 3.24Å; T48-R68 PolarHBondContact OG1-NH2 3.15Å; Y49-R68 WeakPolarHBondContact O-CA 3.47Å
69R97.7Very high95.9Very high6 Ų655.7 Ų55.72%0.02325%0.253CS..EExtended strand (participates in β ladder)trans-137.3146179.4-61.8-65.5177-110.78.7110.9T48 Y49 I51 V67 D73 F74 M143 F144 D147 E148T48-R69 CarbonylContact C-O 3.57Å; T48-R69 WeakPolarHBondContact CA-O 3.27Å; Y49-R69 PolarHBondContact N-O 3.15Å; Y49-R69 PolarHBondContact O-N 3.06Å; I51-R69 HydrophobicContact CD1-CB 3.76Å; I51-R69 HydrophobicContact CD1-CG 3.44Å; I51-R69 VanDerWaalsContact CD1-CG 3.44Å; I51-R69 HydrophobicContact CG1-CG 4.41Å; V67-R69 HydrophobicContact CG2-CG 4.47Å; R69-D73 HydrophobicContact CB-CB 4.39Å; R69-F74 HydrophobicContact CB-CD2 4.35Å; R69-F74 HydrophobicContact CB-CE2 3.74Å; R69-M143 PolarHBondContact NH2-O 2.99Å; R69-M143 VanDerWaalsContact NH2-O 3.17Å; R69-F144 HydrophobicContact CB-CE2 4.18Å; R69-F144 HydrophobicContact CB-CZ 3.99Å; R69-F144 HydrophobicContact CG-CD2 4.38Å; R69-F144 HydrophobicContact CG-CE1 4.18Å; R69-F144 HydrophobicContact CG-CE2 3.77Å; R69-F144 HydrophobicContact CG-CZ 3.67Å; R69-F144 VanDerWaalsContact CZ-O 3.31Å; R69-F144 PolarHBondContact NE-O 3.02Å; R69-F144 PolarHBondContact NH2-O 3.37Å; R69-D147 PolarHBondContact NH2-O 3.21Å; R69-E148 PolarHBondContact NH1-O 3.35Å
70R96.1Very high96Very high92 Ų9255.7 Ų55.735%0.34725%0.253SS..EExtended strand (participates in β ladder)trans-98.5162.3168.453.3172-176.51699110.1F46 T48 S72 D73 F74F46-R70 HydrophobicContact CD2-CB 4.04Å; F46-R70 HydrophobicContact CE2-CB 4.5Å; T48-R70 HydrophobicContact CG2-CB 4.24Å; R70-S72 WeakPolarHBondContact CD-OG 3.13Å; R70-S72 WeakPolarHBondContact CG-OG 3.48Å; R70-S72 VanDerWaalsContact CZ-OG 3.27Å; R70-S72 PolarHBondContact NE-OG 3.07Å; R70-S72 PolarHBondContact O-N 2.8Å; R70-S72 VanDerWaalsContact O-N 3.09Å; R70-D73 WeakPolarHBondContact CG-OD2 3.49Å; R70-D73 PolarHBondContact N-OD2 3.03Å; R70-D73 IonicContact NE-OD1 2.63Å; R70-D73 WeakPolarHBondContact O-CB 3.22Å; R70-D73 PolarHBondContact O-N 3.46Å; R70-F74 WeakPolarHBondContact O-CD2 3.4Å
71Y95.8Very high96Very high24 Ų2455.6 Ų55.69%0.09425%0.252CS..Hα-helixtrans-48.9-40.4180179.8-94000113.9D73 F74 E75 L92 P93 K95 R118 L122Y71-D73 PolarHBondContact O-N 3.49Å; Y71-F74 WeakPolarHBondContact O-CB 3.25Å; Y71-F74 PolarHBondContact O-N 3.46Å; Y71-E75 HydrophobicContact CD1-CG 3.95Å; Y71-E75 HydrophobicContact CE1-CG 3.5Å; Y71-E75 VanDerWaalsContact CE1-CG 3.5Å; Y71-E75 PolarHBondContact O-N 2.83Å; Y71-E75 VanDerWaalsContact O-N 3.07Å; Y71-L92 HydrophobicContact CE2-CB 4.48Å; Y71-P93 HydrophobicContact CE2-CG 4.2Å; Y71-P93 WeakPolarHBondContact CE2-O 3.47Å; Y71-P93 VanDerWaalsContact CZ-O 3.3Å; Y71-P93 PolarHBondContact OH-O 2.98Å; Y71-K95 HydrophobicContact CE1-CB 4.24Å; Y71-K95 HydrophobicContact CE1-CG 4.08Å; Y71-K95 PolarHBondContact OH-N 3.36Å; Y71-R118 HydrophobicContact CD2-CG 4.33Å; Y71-L122 HydrophobicContact CD2-CD1 4.44Å; Y71-L122 HydrophobicContact CD2-CD2 3.93Å; Y71-L122 HydrophobicContact CE2-CD2 4.22Å
72S95.2Very high95.9Very high33 Ų3351.1 Ų51.123%0.23123%0.234CC..Hα-helixtrans-64.8-23.1179.561.60000114.1R70 F74 W76R70-S72 WeakPolarHBondContact CD-OG 3.13Å; R70-S72 WeakPolarHBondContact CG-OG 3.48Å; R70-S72 VanDerWaalsContact CZ-OG 3.27Å; R70-S72 PolarHBondContact NE-OG 3.07Å; R70-S72 PolarHBondContact O-N 2.8Å; R70-S72 VanDerWaalsContact O-N 3.09Å; S72-F74 VanDerWaalsContact C-N 3.34Å; S72-W76 PolarHBondContact O-N 3.36Å
73D97.2Very high95.6Very high21 Ų2153.8 Ų53.811%0.11224%0.239CC..Hα-helixtrans-75.7-30.4176-50-30.3000110.2R69 R70 Y71 W76 L77 F144R69-D73 HydrophobicContact CB-CB 4.39Å; R70-D73 WeakPolarHBondContact CG-OD2 3.49Å; R70-D73 PolarHBondContact N-OD2 3.03Å; R70-D73 IonicContact NE-OD1 2.63Å; R70-D73 WeakPolarHBondContact O-CB 3.22Å; R70-D73 PolarHBondContact O-N 3.46Å; Y71-D73 PolarHBondContact O-N 3.49Å; D73-W76 WeakPolarHBondContact O-CB 3.5Å; D73-W76 PolarHBondContact O-N 2.78Å; D73-L77 PolarHBondContact O-N 2.83Å; D73-F144 HydrophobicContact CB-CE2 3.93Å
74F97.3Very high94.9Very high0 Ų052.6 Ų52.60%024%0.237CC..Hα-helixtrans-70.3-39.7170.6-67.9-108.9000111.5I51 R69 R70 Y71 S72 W76 L77 R78 L92 L122 F125 L126 F144I51-F74 HydrophobicContact CD1-CE1 4.48Å; I51-F74 HydrophobicContact CD1-CE2 4.28Å; I51-F74 HydrophobicContact CD1-CZ 3.75Å; I51-F74 HydrophobicContact CG1-CZ 4.36Å; R69-F74 HydrophobicContact CB-CD2 4.35Å; R69-F74 HydrophobicContact CB-CE2 3.74Å; R70-F74 WeakPolarHBondContact O-CD2 3.4Å; Y71-F74 WeakPolarHBondContact O-CB 3.25Å; Y71-F74 PolarHBondContact O-N 3.46Å; S72-F74 VanDerWaalsContact C-N 3.34Å; F74-W76 VanDerWaalsContact C-N 3.26Å; F74-W76 PolarHBondContact O-N 2.64Å; F74-L77 PolarHBondContact O-N 3.12Å; F74-R78 WeakPolarHBondContact O-CB 3.45Å; F74-R78 PolarHBondContact O-N 2.96Å; F74-L92 HydrophobicContact CB-CD1 4.42Å; F74-L92 HydrophobicContact CB-CD2 3.85Å; F74-L122 HydrophobicContact CB-CD2 4.08Å; F74-L122 HydrophobicContact CD1-CB 4.33Å; F74-L122 HydrophobicContact CD1-CD2 3.6Å; F74-L122 HydrophobicContact CD1-CG 4.42Å; F74-L122 HydrophobicContact CD2-CD1 4.39Å; F74-L122 HydrophobicContact CD2-CD2 4.14Å; F74-L122 HydrophobicContact CE1-CB 3.75Å; F74-L122 HydrophobicContact CE1-CD1 4.41Å; F74-L122 HydrophobicContact CE1-CD2 3.88Å; F74-L122 HydrophobicContact CE1-CG 4.21Å; F74-L122 HydrophobicContact CE2-CD1 4.08Å; F74-L122 HydrophobicContact CE2-CD2 4.45Å; F74-L122 HydrophobicContact CG-CD2 3.72Å; F74-L122 HydrophobicContact CZ-CB 4.05Å; F74-L122 HydrophobicContact CZ-CD1 4.09Å; F74-L122 HydrophobicContact CZ-CD2 4.33Å; F74-L122 HydrophobicContact CZ-CG 4.37Å; F74-F125 AromaticContact CD1-CD1 4Å; F74-F125 HydrophobicContact CD1-CD1 4Å; F74-F125 HydrophobicContact CD1-CE1 4.19Å; F74-L126 HydrophobicContact CD1-CD1 4.33Å; F74-L126 HydrophobicContact CD1-CD2 4.4Å; F74-L126 HydrophobicContact CD1-CG 4.17Å; F74-L126 HydrophobicContact CE1-CD1 3.35Å; F74-L126 HydrophobicContact CE1-CD2 4.18Å; F74-L126 HydrophobicContact CE1-CG 3.6Å; F74-L126 HydrophobicContact CZ-CD1 3.87Å; F74-F144 HydrophobicContact CD1-CE1 4.47Å; F74-F144 AromaticContact CD1-CZ 3.83Å; F74-F144 HydrophobicContact CD1-CZ 3.83Å; F74-F144 HydrophobicContact CD2-CE2 4.27Å; F74-F144 AromaticContact CD2-CZ 3.8Å; F74-F144 HydrophobicContact CD2-CZ 3.8Å; F74-F144 HydrophobicContact CE1-CE1 4.29Å; F74-F144 AromaticContact CE1-CZ 3.88Å; F74-F144 HydrophobicContact CE1-CZ 3.88Å; F74-F144 AromaticContact CE2-CZ 3.8Å; F74-F144 HydrophobicContact CE2-CZ 3.8Å; F74-F144 HydrophobicContact CG-CE2 4.31Å; F74-F144 AromaticContact CG-CZ 3.81Å; F74-F144 HydrophobicContact CG-CZ 3.81Å; F74-F144 HydrophobicContact CZ-CE1 4.41Å; F74-F144 AromaticContact CZ-CZ 3.85Å; F74-F144 HydrophobicContact CZ-CZ 3.85Å
75E95.9Very high94.2Very high62 Ų6247 Ų4729%0.2921%0.212SC..Hα-helixtrans-57.4-43.7171.7-68.5-175.5113.600110.8Y71 G79 L92 K95Y71-E75 HydrophobicContact CD1-CG 3.95Å; Y71-E75 HydrophobicContact CE1-CG 3.5Å; Y71-E75 VanDerWaalsContact CE1-CG 3.5Å; Y71-E75 PolarHBondContact O-N 2.83Å; Y71-E75 VanDerWaalsContact O-N 3.07Å; E75-G79 PolarHBondContact O-N 2.71Å; E75-L92 HydrophobicContact CB-CD1 4.32Å; E75-L92 HydrophobicContact CG-CD1 3.95Å; E75-K95 VanDerWaalsContact CD-NZ 3.28Å; E75-K95 WeakPolarHBondContact OE1-CD 3.41Å; E75-K95 IonicContact OE1-NZ 2.78Å; E75-K95 PolarHBondContact OE1-NZ 3.05Å; E75-K95 IonicContact OE2-NZ 3.74Å; E75-K95 PolarHBondContact OE2-NZ 3.47Å
76W95.8Very high93.6Very high32 Ų3255.8 Ų55.812%0.12125%0.249CC..Hα-helixtrans-60.9-52.4174.3170.783000111.5S72 D73 F74 R78 G79 E80 C140 M143 V150 Y154S72-W76 PolarHBondContact O-N 3.36Å; D73-W76 WeakPolarHBondContact O-CB 3.5Å; D73-W76 PolarHBondContact O-N 2.78Å; F74-W76 VanDerWaalsContact C-N 3.26Å; F74-W76 PolarHBondContact O-N 2.64Å; W76-R78 VanDerWaalsContact C-N 3.28Å; W76-R78 PolarHBondContact O-N 2.88Å; W76-G79 PolarHBondContact O-N 2.96Å; W76-E80 HydrophobicContact CD2-CG 3.93Å; W76-E80 VanDerWaalsContact CE2-CG 3.47Å; W76-E80 HydrophobicContact CE3-CG 4.47Å; W76-E80 HydrophobicContact CG-CG 4.36Å; W76-E80 HydrophobicContact CH2-CG 4.14Å; W76-E80 HydrophobicContact CZ2-CG 3.64Å; W76-E80 WeakPolarHBondContact O-CG 3.12Å; W76-E80 PolarHBondContact O-N 3.21Å; W76-C140 HydrophobicContact CH2-CB 3.81Å; W76-C140 HydrophobicContact CZ3-CB 4.34Å; W76-M143 HydrophobicContact CH2-CE 3.26Å; W76-M143 HydrophobicContact CZ2-CE 3.64Å; W76-M143 HydrophobicContact CZ3-CE 4.31Å; W76-V150 HydrophobicContact CD2-CG1 3.84Å; W76-V150 HydrophobicContact CE3-CG1 3.49Å; W76-V150 VanDerWaalsContact CE3-CG1 3.49Å; W76-V150 HydrophobicContact CH2-CG1 3.47Å; W76-V150 VanDerWaalsContact CH2-CG1 3.47Å; W76-V150 HydrophobicContact CZ2-CG1 3.72Å; W76-V150 HydrophobicContact CZ3-CG1 3.33Å; W76-Y154 HydrophobicContact CH2-CE1 4.19Å; W76-Y154 AromaticContact CZ2-CD1 3.91Å; W76-Y154 HydrophobicContact CZ2-CD1 3.91Å; W76-Y154 AromaticContact CZ2-CE1 3.47Å; W76-Y154 HydrophobicContact CZ2-CE1 3.47Å; W76-Y154 VanDerWaalsContact CZ2-CE1 3.47Å
77L96.3Very high93.1Very high0 Ų048.2 Ų48.20%022%0.221CC..Hα-helixtrans-56-44.1-179.6175.264.7000111.7D73 F74 E80 L81 F125 L126 C140 L141 F144D73-L77 PolarHBondContact O-N 2.83Å; F74-L77 PolarHBondContact O-N 3.12Å; L77-E80 PolarHBondContact O-N 2.94Å; L77-L81 HydrophobicContact CD1-CD1 3.98Å; L77-L81 HydrophobicContact CD1-CG 4.22Å; L77-L81 HydrophobicContact CG-CD1 3.97Å; L77-L81 WeakPolarHBondContact O-CG 3.24Å; L77-L81 PolarHBondContact O-N 3.08Å; L77-F125 HydrophobicContact CD2-CE1 4.29Å; L77-L126 HydrophobicContact CD2-CD2 4Å; L77-C140 HydrophobicContact CD1-CB 4.19Å; L77-L141 HydrophobicContact CD2-CD1 4.3Å; L77-F144 HydrophobicContact CB-CD2 4.02Å; L77-F144 HydrophobicContact CB-CE2 4.35Å; L77-F144 HydrophobicContact CB-CG 4.42Å; L77-F144 HydrophobicContact CD1-CB 4.17Å; L77-F144 HydrophobicContact CD2-CB 4.18Å; L77-F144 HydrophobicContact CD2-CD1 3.75Å; L77-F144 HydrophobicContact CD2-CD2 4.08Å; L77-F144 HydrophobicContact CD2-CE1 4.1Å; L77-F144 HydrophobicContact CD2-CE2 4.41Å; L77-F144 HydrophobicContact CD2-CG 3.73Å; L77-F144 HydrophobicContact CD2-CZ 4.42Å; L77-F144 HydrophobicContact CG-CG 4.44Å
78R95.6Very high92.6Very high87 Ų8754.4 Ų54.433%0.32826%0.259SS..Hα-helixtrans-58.9-48.4175.4170.4166.9173.5-104.1-13111.4F74 W76 E80 L81 E82 V89 L92 F125F74-R78 WeakPolarHBondContact O-CB 3.45Å; F74-R78 PolarHBondContact O-N 2.96Å; W76-R78 VanDerWaalsContact C-N 3.28Å; W76-R78 PolarHBondContact O-N 2.88Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-E80 PolarHBondContact O-N 2.86Å; R78-L81 PolarHBondContact O-N 3.06Å; R78-E82 HydrophobicContact CG-CG 4.34Å; R78-E82 IonicContact CZ-OE1 3.13Å; R78-E82 IonicContact CZ-OE2 3.24Å; R78-E82 IonicContact NE-OE1 3.4Å; R78-E82 PolarHBondContact NE-OE1 3.43Å; R78-E82 IonicContact NE-OE2 2.65Å; R78-E82 IonicContact NH2-OE1 2.89Å; R78-E82 PolarHBondContact NH2-OE1 2.92Å; R78-E82 IonicContact NH2-OE2 3.29Å; R78-E82 PolarHBondContact NH2-OE2 2.79Å; R78-E82 WeakPolarHBondContact O-CB 3.22Å; R78-E82 WeakPolarHBondContact O-CG 3.41Å; R78-E82 PolarHBondContact O-N 3.43Å; R78-V89 HydrophobicContact CB-CG1 4.17Å; R78-V89 HydrophobicContact CG-CB 4.41Å; R78-V89 HydrophobicContact CG-CG1 3.72Å; R78-L92 HydrophobicContact CB-CD1 4.06Å; R78-F125 HydrophobicContact CB-CE2 4.28Å; R78-F125 HydrophobicContact CB-CZ 3.98Å
79G94.5Very high92.3Very high32 Ų3251.5 Ų51.533%0.3325%0.25SC..Hα-helixtrans-62.2-38179.500000113.3E75 W76 R83E75-G79 PolarHBondContact O-N 2.71Å; W76-G79 PolarHBondContact O-N 2.96Å; G79-R83 WeakPolarHBondContact O-CB 3.37Å; G79-R83 PolarHBondContact O-N 3.03Å; G79-R83 VanDerWaalsContact O-N 3.13Å
80E94Very high92.1Very high21 Ų2152.4 Ų52.410%0.09826%0.256CS..Hα-helixtrans-64.9-45.6175.5-64.5-62.9116.700111.8W76 L77 R78 R83 D84 C140 Y154W76-E80 HydrophobicContact CD2-CG 3.93Å; W76-E80 VanDerWaalsContact CE2-CG 3.47Å; W76-E80 HydrophobicContact CE3-CG 4.47Å; W76-E80 HydrophobicContact CG-CG 4.36Å; W76-E80 HydrophobicContact CH2-CG 4.14Å; W76-E80 HydrophobicContact CZ2-CG 3.64Å; W76-E80 WeakPolarHBondContact O-CG 3.12Å; W76-E80 PolarHBondContact O-N 3.21Å; L77-E80 PolarHBondContact O-N 2.94Å; R78-E80 VanDerWaalsContact C-N 3.33Å; R78-E80 PolarHBondContact O-N 2.86Å; E80-R83 VanDerWaalsContact CD-NH1 3.35Å; E80-R83 VanDerWaalsContact CD-NH2 3.29Å; E80-R83 PolarHBondContact O-N 3.07Å; E80-R83 IonicContact OE1-CZ 2.71Å; E80-R83 IonicContact OE1-NH1 2.8Å; E80-R83 PolarHBondContact OE1-NH1 2.69Å; E80-R83 IonicContact OE1-NH2 3.48Å; E80-R83 PolarHBondContact OE1-NH2 3.26Å; E80-R83 IonicContact OE2-CZ 3.48Å; E80-R83 IonicContact OE2-NH1 3.69Å; E80-R83 PolarHBondContact OE2-NH1 2.86Å; E80-R83 IonicContact OE2-NH2 3.45Å; E80-R83 PolarHBondContact OE2-NH2 3.37Å; E80-D84 PolarHBondContact O-N 2.78Å; E80-D84 VanDerWaalsContact O-N 3.11Å; E80-C140 HydrophobicContact CB-CB 4.1Å; E80-Y154 HydrophobicContact CG-CE1 4.46Å; E80-Y154 WeakPolarHBondContact OE2-CE1 3.39Å; E80-Y154 VanDerWaalsContact OE2-CZ 3.22Å; E80-Y154 PolarHBondContact OE2-OH 2.51Å
81L93.3Very high91.9Very high1 Ų153.3 Ų53.31%0.00527%0.274CS..Hα-helixtrans-67-37.9179.1-71.6170.1000112.5L77 R78 R83 S85 V89 V129 A135 E138L77-L81 HydrophobicContact CD1-CD1 3.98Å; L77-L81 HydrophobicContact CD1-CG 4.22Å; L77-L81 HydrophobicContact CG-CD1 3.97Å; L77-L81 WeakPolarHBondContact O-CG 3.24Å; L77-L81 PolarHBondContact O-N 3.08Å; R78-L81 PolarHBondContact O-N 3.06Å; L81-R83 VanDerWaalsContact C-N 3.29Å; L81-R83 PolarHBondContact O-N 3.04Å; L81-S85 WeakPolarHBondContact O-CA 3.4Å; L81-S85 WeakPolarHBondContact O-CB 3.41Å; L81-S85 PolarHBondContact O-N 3.16Å; L81-V89 HydrophobicContact CB-CG2 3.65Å; L81-V129 HydrophobicContact CD1-CG1 3.36Å; L81-V129 HydrophobicContact CD1-CG2 4.48Å; L81-A135 HydrophobicContact CD2-CB 4.12Å; L81-E138 HydrophobicContact CD2-CB 3.95Å; L81-E138 HydrophobicContact CD2-CG 3.93Å
82E92.6Very high91.8Very high89 Ų8953.3 Ų53.342%0.41628%0.275SS..Hα-helixtrans-68-28.6175.9-74.6179.1168.200112.6R78 V89R78-E82 HydrophobicContact CG-CG 4.34Å; R78-E82 IonicContact CZ-OE1 3.13Å; R78-E82 IonicContact CZ-OE2 3.24Å; R78-E82 IonicContact NE-OE1 3.4Å; R78-E82 PolarHBondContact NE-OE1 3.43Å; R78-E82 IonicContact NE-OE2 2.65Å; R78-E82 IonicContact NH2-OE1 2.89Å; R78-E82 PolarHBondContact NH2-OE1 2.92Å; R78-E82 IonicContact NH2-OE2 3.29Å; R78-E82 PolarHBondContact NH2-OE2 2.79Å; R78-E82 WeakPolarHBondContact O-CB 3.22Å; R78-E82 WeakPolarHBondContact O-CG 3.41Å; R78-E82 PolarHBondContact O-N 3.43Å; E82-V89 HydrophobicContact CG-CB 3.89Å; E82-V89 HydrophobicContact CG-CG2 3.67Å
83R88.4Confident91.7Very high131 Ų13153 Ų5349%0.49427%0.273SS..Hα-helixtrans-78.9-51.3-179.5-172.7-175.564.5-126.6-2.6112.3G79 E80 L81 P156G79-R83 WeakPolarHBondContact O-CB 3.37Å; G79-R83 PolarHBondContact O-N 3.03Å; G79-R83 VanDerWaalsContact O-N 3.13Å; E80-R83 VanDerWaalsContact CD-NH1 3.35Å; E80-R83 VanDerWaalsContact CD-NH2 3.29Å; E80-R83 PolarHBondContact O-N 3.07Å; E80-R83 IonicContact OE1-CZ 2.71Å; E80-R83 IonicContact OE1-NH1 2.8Å; E80-R83 PolarHBondContact OE1-NH1 2.69Å; E80-R83 IonicContact OE1-NH2 3.48Å; E80-R83 PolarHBondContact OE1-NH2 3.26Å; E80-R83 IonicContact OE2-CZ 3.48Å; E80-R83 IonicContact OE2-NH1 3.69Å; E80-R83 PolarHBondContact OE2-NH1 2.86Å; E80-R83 IonicContact OE2-NH2 3.45Å; E80-R83 PolarHBondContact OE2-NH2 3.37Å; L81-R83 VanDerWaalsContact C-N 3.29Å; L81-R83 PolarHBondContact O-N 3.04Å; R83-P156 VanDerWaalsContact NH2-CG 3.35Å
84D79.7Confident91Very high70 Ų7054.5 Ų54.537%0.37429%0.293SS..Hα-helixtrans-102.8-19.7-166.3-60.6-30.4000112.9E80 P156E80-D84 PolarHBondContact O-N 2.78Å; E80-D84 VanDerWaalsContact O-N 3.11Å; D84-P156 WeakPolarHBondContact OD2-CB 3.42Å
85S81.1Confident90Very high14 Ų1458.7 Ų58.710%0.09831%0.311CS..  trans-106.9150.4-179.5-148.40000112.1L81 V87L81-S85 WeakPolarHBondContact O-CA 3.4Å; L81-S85 WeakPolarHBondContact O-CB 3.41Å; L81-S85 PolarHBondContact O-N 3.16Å; S85-V87 PolarHBondContact O-N 2.79Å; S85-V87 WeakPolarHBondContact OG-CG2 3.42Å
86K85.6Confident89.5Confident201 Ų20157 Ų5787%0.87431%0.308SS*.  trans-84.221.3171.8-61.4-173.1179.4-174.40112.3
87V87.4Confident88.7Confident12 Ų1260.8 Ų60.87%0.07333%0.33CS..  trans-81.6132-176.9174.80000108.9S85 V89 L134 A135S85-V87 PolarHBondContact O-N 2.79Å; S85-V87 WeakPolarHBondContact OG-CG2 3.42Å; V87-V89 HydrophobicContact CB-CG2 4.44Å; V87-V89 HydrophobicContact CG1-CG2 4.21Å; V87-V89 PolarHBondContact O-N 3.28Å; V87-L134 HydrophobicContact CG2-CB 3.49Å; V87-L134 VanDerWaalsContact CG2-CB 3.49Å; V87-L134 HydrophobicContact CG2-CD1 4.33Å; V87-A135 HydrophobicContact CG2-CB 4.29Å
88V87.6Confident88.1Confident140 Ų14068.6 Ų68.685%0.84837%0.365SS*.  trans-7596.5165.9-178.70000107.3
89V91Very high87.5Confident14 Ų1467.6 Ų67.69%0.08536%0.361CS..PPolyproline II helixtrans-72.6127.1-175.7-175.20000109.4R78 L81 E82 V87 F125 V129R78-V89 HydrophobicContact CB-CG1 4.17Å; R78-V89 HydrophobicContact CG-CB 4.41Å; R78-V89 HydrophobicContact CG-CG1 3.72Å; L81-V89 HydrophobicContact CB-CG2 3.65Å; E82-V89 HydrophobicContact CG-CB 3.89Å; E82-V89 HydrophobicContact CG-CG2 3.67Å; V87-V89 HydrophobicContact CB-CG2 4.44Å; V87-V89 HydrophobicContact CG1-CG2 4.21Å; V87-V89 PolarHBondContact O-N 3.28Å; V89-F125 HydrophobicContact CG1-CE2 3.63Å; V89-F125 HydrophobicContact CG1-CZ 4.07Å; V89-V129 HydrophobicContact CG1-CG2 4.28Å
90P93.3Very high87Confident25 Ų2571 Ų7116%0.16237%0.368CS..PPolyproline II helixtrans-57.9150.6176.4-22.131.7000111.8F125 K128 V129P90-F125 HydrophobicContact CB-CD2 4.17Å; P90-F125 WeakPolarHBondContact O-CD2 3.21Å; P90-F125 VanDerWaalsContact O-CE2 3.3Å; P90-F125 WeakPolarHBondContact O-CE2 3.36Å; P90-K128 HydrophobicContact CB-CD 4.21Å; P90-K128 HydrophobicContact CG-CB 3.71Å; P90-K128 HydrophobicContact CG-CD 3.99Å; P90-V129 HydrophobicContact CG-CG2 4.31Å
91P92.6Very high86.6Confident111 Ų11174.9 Ų74.972%0.72139%0.389SS*.PPolyproline II helixtrans-65.3143.3175.528.3-34.4000110.7
92L93.9Very high85.9Confident23 Ų2379.3 Ų79.312%0.1242%0.418CS..PPolyproline II helixtrans-76.1153.1169.6-71.9169.4000110.4Y71 F74 E75 R78 G94 L122 F125Y71-L92 HydrophobicContact CE2-CB 4.48Å; F74-L92 HydrophobicContact CB-CD1 4.42Å; F74-L92 HydrophobicContact CB-CD2 3.85Å; E75-L92 HydrophobicContact CB-CD1 4.32Å; E75-L92 HydrophobicContact CG-CD1 3.95Å; R78-L92 HydrophobicContact CB-CD1 4.06Å; L92-G94 PolarHBondContact O-N 3.38Å; L92-L122 HydrophobicContact CD2-CD2 4.11Å; L92-F125 HydrophobicContact CD2-CB 4.34Å; L92-F125 HydrophobicContact CD2-CD1 3.7Å; L92-F125 HydrophobicContact CD2-CD2 3.6Å; L92-F125 HydrophobicContact CD2-CE1 3.81Å; L92-F125 HydrophobicContact CD2-CE2 3.69Å; L92-F125 HydrophobicContact CD2-CG 3.6Å; L92-F125 HydrophobicContact CD2-CZ 3.81Å; L92-F125 HydrophobicContact CG-CD2 4.19Å; L92-F125 HydrophobicContact CG-CE2 4.08Å; L92-F125 HydrophobicContact CG-CZ 4.45Å
93P91.6Very high85.5Confident27 Ų2785.1 Ų85.118%0.17544%0.442CS..SBendtrans-57143167.324-30.7000109.3Y71 R118 L122Y71-P93 HydrophobicContact CE2-CG 4.2Å; Y71-P93 WeakPolarHBondContact CE2-O 3.47Å; Y71-P93 VanDerWaalsContact CZ-O 3.3Å; Y71-P93 PolarHBondContact OH-O 2.98Å; P93-R118 HydrophobicContact CG-CG 4.24Å; P93-L122 HydrophobicContact CG-CD2 3.72Å; P93-L122 HydrophobicContact CG-CG 3.83Å
94G82.9Confident85.3Confident53 Ų5383.7 Ų83.755%0.54644%0.436SS..PPolyproline II helixtrans-55.4143.1-168.600000114.1L92 A96 R118L92-G94 PolarHBondContact O-N 3.38Å; G94-A96 PolarHBondContact O-N 3.23Å; G94-R118 PolarHBondContact O-NH2 3.27Å
95K77.5Confident85.4Confident87 Ų8784.9 Ų84.938%0.37847%0.466SS..  trans-61.1-17.1174.7-164.2167.2-165.5142.10113Y71 E75 L97 R118Y71-K95 HydrophobicContact CE1-CB 4.24Å; Y71-K95 HydrophobicContact CE1-CG 4.08Å; Y71-K95 PolarHBondContact OH-N 3.36Å; E75-K95 VanDerWaalsContact CD-NZ 3.28Å; E75-K95 WeakPolarHBondContact OE1-CD 3.41Å; E75-K95 IonicContact OE1-NZ 2.78Å; E75-K95 PolarHBondContact OE1-NZ 3.05Å; E75-K95 IonicContact OE2-NZ 3.74Å; E75-K95 PolarHBondContact OE2-NZ 3.47Å; K95-L97 HydrophobicContact CD-CD2 4.16Å; K95-L97 HydrophobicContact CG-CD2 4.23Å; K95-L97 PolarHBondContact O-N 3.06Å; K95-R118 PolarHBondContact O-NH2 3.03Å
96A84Confident85.7Confident27 Ų2787 Ų8722%0.22348%0.476CS..  trans51.552.5177.200000112.6G94 F98 R99 F114G94-A96 PolarHBondContact O-N 3.23Å; A96-F98 PolarHBondContact O-N 2.9Å; A96-F98 VanDerWaalsContact O-N 3.17Å; A96-R99 HydrophobicContact CB-CB 4.09Å; A96-R99 HydrophobicContact CB-CG 4.05Å; A96-R99 WeakPolarHBondContact O-CA 3.45Å; A96-R99 WeakPolarHBondContact O-CB 3.34Å; A96-R99 PolarHBondContact O-N 3.02Å; A96-F114 HydrophobicContact CB-CE2 3.5Å; A96-F114 VanDerWaalsContact CB-CE2 3.5Å; A96-F114 HydrophobicContact CB-CZ 3.41Å; A96-F114 VanDerWaalsContact CB-CZ 3.41Å
97L80.1Confident85.6Confident112 Ų11282.6 Ų82.659%0.58646%0.462SS*.G310 helixtrans-53.2-38.2-177.5-67.3170.7000112.6K95 R99 Q100K95-L97 HydrophobicContact CD-CD2 4.16Å; K95-L97 HydrophobicContact CG-CD2 4.23Å; K95-L97 PolarHBondContact O-N 3.06Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 3.34Å; L97-Q100 WeakPolarHBondContact O-CB 3.42Å; L97-Q100 PolarHBondContact O-N 3.03Å; L97-Q100 VanDerWaalsContact O-N 3.09Å
98F83.1Confident85.6Confident164 Ų16482.3 Ų82.372%0.71946%0.461SS*.G310 helixtrans-66-24.9176.7-63.2-69.8000114.3A96 Q100 L101 R104A96-F98 PolarHBondContact O-N 2.9Å; A96-F98 VanDerWaalsContact O-N 3.17Å; F98-Q100 PolarHBondContact O-N 3.24Å; F98-L101 HydrophobicContact CD1-CD1 4.23Å; F98-R104 PolarHBondContact O-NH1 3.29Å
99R83.3Confident85.6Confident66 Ų6677 Ų7725%0.24943%0.428CS..G310 helixtrans-78.4-8.4175-66.4-172.1-178.3-116.612112.7A96 L97 G108 I109 F114A96-R99 HydrophobicContact CB-CB 4.09Å; A96-R99 HydrophobicContact CB-CG 4.05Å; A96-R99 WeakPolarHBondContact O-CA 3.45Å; A96-R99 WeakPolarHBondContact O-CB 3.34Å; A96-R99 PolarHBondContact O-N 3.02Å; L97-R99 VanDerWaalsContact C-N 3.27Å; L97-R99 PolarHBondContact O-N 3.34Å; R99-G108 VanDerWaalsContact O-CA 3.27Å; R99-G108 WeakPolarHBondContact O-CA 3.22Å; R99-I109 HydrophobicContact CB-CG2 3.81Å; R99-I109 PolarHBondContact O-N 2.92Å; R99-F114 VanDerWaalsContact CD-CD2 3.43Å
100Q83.6Confident85.6Confident104 Ų10478.1 Ų78.149%0.48643%0.431SS..G310 helixtrans-90.8-8.1175.1-58.7-177.311.300113.1L97 F98 I109L97-Q100 WeakPolarHBondContact O-CB 3.42Å; L97-Q100 PolarHBondContact O-N 3.03Å; L97-Q100 VanDerWaalsContact O-N 3.09Å; F98-Q100 PolarHBondContact O-N 3.24Å; Q100-I109 HydrophobicContact CG-CD1 4.35Å; Q100-I109 HydrophobicContact CG-CG2 3.62Å
101L85.7Confident85.6Confident102 Ų10278.8 Ų78.853%0.53443%0.434SS..SBendtrans-66.7141.5179.2-69.3172.7000110.9F98 R104F98-L101 HydrophobicContact CD1-CD1 4.23Å; L101-R104 WeakPolarHBondContact O-CD 3.29Å; L101-R104 WeakPolarHBondContact O-CG 3.35Å
102P79.4Confident85.6Confident93 Ų9379.8 Ų79.860%0.60443%0.433SS*.SBendtrans-70.2165.8175.531.4-35.2000111.5
103F82.9Confident85.5Confident211 Ų21182.4 Ų82.493%0.92545%0.453SS*.SBendtrans63.237.3175.3-44.9-73.5000114.8
104R85.7Confident85.5Confident101 Ų10181.5 Ų81.538%0.38145%0.447SS..  trans-84.9156.9170.4-65.1176.960.879.711.1110.8F98 L101 D106F98-R104 PolarHBondContact O-NH1 3.29Å; L101-R104 WeakPolarHBondContact O-CD 3.29Å; L101-R104 WeakPolarHBondContact O-CG 3.35Å; R104-D106 VanDerWaalsContact C-N 3.28Å; R104-D106 WeakPolarHBondContact CB-OD1 3.43Å; R104-D106 IonicContact CZ-OD1 3.35Å; R104-D106 IonicContact CZ-OD2 3.69Å; R104-D106 IonicContact NE-OD1 2.72Å; R104-D106 PolarHBondContact NE-OD1 3Å; R104-D106 IonicContact NE-OD2 3.78Å; R104-D106 IonicContact NH2-OD1 3.18Å; R104-D106 PolarHBondContact NH2-OD1 3.47Å; R104-D106 IonicContact NH2-OD2 2.75Å; R104-D106 PolarHBondContact NH2-OD2 3.06Å
105G82.1Confident86.1Confident96 Ų9679.5 Ų79.599%0.9942%0.423SS*.SBendtrans-82.4-2.8172.300000114.2
106D85.4Confident86.9Confident57 Ų5779.7 Ų79.731%0.30543%0.425SS..SBendtrans-121.6171.8176.264.28.7000110.6R104 G108R104-D106 VanDerWaalsContact C-N 3.28Å; R104-D106 WeakPolarHBondContact CB-OD1 3.43Å; R104-D106 IonicContact CZ-OD1 3.35Å; R104-D106 IonicContact CZ-OD2 3.69Å; R104-D106 IonicContact NE-OD1 2.72Å; R104-D106 PolarHBondContact NE-OD1 3Å; R104-D106 IonicContact NE-OD2 3.78Å; R104-D106 IonicContact NH2-OD1 3.18Å; R104-D106 PolarHBondContact NH2-OD1 3.47Å; R104-D106 IonicContact NH2-OD2 2.75Å; R104-D106 PolarHBondContact NH2-OD2 3.06Å; D106-G108 PolarHBondContact O-N 3.31Å; D106-G108 VanDerWaalsContact O-N 3.1Å; D106-G108 PolarHBondContact OD1-N 2.86Å; D106-G108 VanDerWaalsContact OD1-N 3.15Å
107D84.4Confident87.4Confident110 Ų11084.5 Ų84.559%0.58844%0.443SS*.  trans-76.512.7176.9-78.8-40.2000113.6I109 F110 D111D107-I109 PolarHBondContact O-N 2.79Å; D107-F110 HydrophobicContact CB-CB 4.41Å; D107-F110 WeakPolarHBondContact O-CB 3.23Å; D107-F110 PolarHBondContact O-N 2.99Å; D107-D111 HydrophobicContact CB-CB 4.24Å
108G88Confident88.2Confident5 Ų580 Ų805%0.05242%0.418CS..G310 helixtrans59.4-116.3173.400000113R99 D106 F110R99-G108 VanDerWaalsContact O-CA 3.27Å; R99-G108 WeakPolarHBondContact O-CA 3.22Å; D106-G108 PolarHBondContact O-N 3.31Å; D106-G108 VanDerWaalsContact O-N 3.1Å; D106-G108 PolarHBondContact OD1-N 2.86Å; D106-G108 VanDerWaalsContact OD1-N 3.15Å; G108-F110 PolarHBondContact O-N 2.92Å
109I87.6Confident88.8Confident30 Ų3073.8 Ų73.815%0.15439%0.39CS..G310 helixtrans-77.6-4.617866.5172.8000114R99 Q100 D107 F114R99-I109 HydrophobicContact CB-CG2 3.81Å; R99-I109 PolarHBondContact O-N 2.92Å; Q100-I109 HydrophobicContact CG-CD1 4.35Å; Q100-I109 HydrophobicContact CG-CG2 3.62Å; D107-I109 PolarHBondContact O-N 2.79Å; I109-F114 HydrophobicContact CB-CD1 4.28Å; I109-F114 HydrophobicContact CB-CE1 3.86Å; I109-F114 HydrophobicContact CG2-CE1 4.07Å; I109-F114 WeakPolarHBondContact O-CD1 3.38Å
110F90.2Very high89.5Confident36 Ų3671.9 Ų71.916%0.15839%0.388CS..G310 helixtrans-1113-179.1-52.3-80.1000112.5T38 R45 D107 G108T38-F110 HydrophobicContact CG2-CD1 3.8Å; T38-F110 HydrophobicContact CG2-CE1 3.88Å; R45-F110 HydrophobicContact CB-CE1 4.49Å; R45-F110 HydrophobicContact CB-CZ 4.47Å; R45-F110 HydrophobicContact CG-CD1 4.39Å; R45-F110 HydrophobicContact CG-CE1 3.53Å; R45-F110 HydrophobicContact CG-CE2 3.93Å; R45-F110 HydrophobicContact CG-CZ 3.24Å; R45-F110 VanDerWaalsContact CZ-CD2 3.46Å; R45-F110 WeakPolarHBondContact O-CZ 3.25Å; D107-F110 HydrophobicContact CB-CB 4.41Å; D107-F110 WeakPolarHBondContact O-CB 3.23Å; D107-F110 PolarHBondContact O-N 2.99Å; G108-F110 PolarHBondContact O-N 2.92Å
111D92.8Very high90.1Very high39 Ų3967.8 Ų67.821%0.20937%0.374CS..  trans-64.6133171.2-178.989.3000110.1D107 S113 F114 I115D107-D111 HydrophobicContact CB-CB 4.24Å; D111-S113 VanDerWaalsContact C-N 3.27Å; D111-S113 PolarHBondContact O-N 3.09Å; D111-S113 VanDerWaalsContact OD2-CB 3.29Å; D111-S113 WeakPolarHBondContact OD2-CB 3.36Å; D111-S113 PolarHBondContact OD2-N 2.88Å; D111-S113 PolarHBondContact OD2-OG 2.87Å; D111-F114 HydrophobicContact CB-CB 4.22Å; D111-F114 WeakPolarHBondContact O-CB 3.3Å; D111-F114 PolarHBondContact O-N 2.8Å; D111-F114 VanDerWaalsContact O-N 3.09Å; D111-F114 PolarHBondContact OD2-N 2.9Å; D111-I115 WeakPolarHBondContact O-CG1 3.33Å; D111-I115 PolarHBondContact O-N 2.63Å
112D92.7Very high90.7Very high133 Ų13362.9 Ų62.971%0.71135%0.349SS*.Hα-helixtrans-60.4-36.9-174.3-71.9-20.2000112.4F114 I115 E116D112-F114 VanDerWaalsContact C-N 3.3Å; D112-F114 PolarHBondContact O-N 2.82Å; D112-I115 PolarHBondContact O-N 3.43Å; D112-E116 PolarHBondContact O-N 3.42Å
113S91.9Very high91.6Very high77 Ų7760.5 Ų60.554%0.53833%0.329SS..Hα-helixtrans-64.9-39.1178.377.60000111.3D111 E117D111-S113 VanDerWaalsContact C-N 3.27Å; D111-S113 PolarHBondContact O-N 3.09Å; D111-S113 VanDerWaalsContact OD2-CB 3.29Å; D111-S113 WeakPolarHBondContact OD2-CB 3.36Å; D111-S113 PolarHBondContact OD2-N 2.88Å; D111-S113 PolarHBondContact OD2-OG 2.87Å; S113-E117 WeakPolarHBondContact O-CB 3.35Å; S113-E117 PolarHBondContact O-N 2.88Å
114F93Very high92.2Very high9 Ų956.1 Ų56.14%0.03931%0.312CS..Hα-helixtrans-70.3-40.7176.7177.2-105.5000112.5A96 R99 I109 D111 D112 E116 E117 R118A96-F114 HydrophobicContact CB-CE2 3.5Å; A96-F114 VanDerWaalsContact CB-CE2 3.5Å; A96-F114 HydrophobicContact CB-CZ 3.41Å; A96-F114 VanDerWaalsContact CB-CZ 3.41Å; R99-F114 VanDerWaalsContact CD-CD2 3.43Å; I109-F114 HydrophobicContact CB-CD1 4.28Å; I109-F114 HydrophobicContact CB-CE1 3.86Å; I109-F114 HydrophobicContact CG2-CE1 4.07Å; I109-F114 WeakPolarHBondContact O-CD1 3.38Å; D111-F114 HydrophobicContact CB-CB 4.22Å; D111-F114 WeakPolarHBondContact O-CB 3.3Å; D111-F114 PolarHBondContact O-N 2.8Å; D111-F114 VanDerWaalsContact O-N 3.09Å; D111-F114 PolarHBondContact OD2-N 2.9Å; D112-F114 VanDerWaalsContact C-N 3.3Å; D112-F114 PolarHBondContact O-N 2.82Å; F114-E116 VanDerWaalsContact C-N 3.3Å; F114-E116 PolarHBondContact O-N 2.97Å; F114-E117 PolarHBondContact O-N 3.34Å; F114-R118 VanDerWaalsContact CE1-CZ 3.41Å; F114-R118 VanDerWaalsContact O-CB 3.26Å; F114-R118 WeakPolarHBondContact O-CB 3.46Å; F114-R118 PolarHBondContact O-N 3.36Å
115I94.6Very high92.8Very high10 Ų1051.5 Ų51.55%0.05130%0.295CS..Hα-helixtrans-60-43.8176.6-72.7174.3000110.1P36 T47 Y49 D111 D112 R118 R119P36-I115 HydrophobicContact CB-CG2 3.26Å; P36-I115 HydrophobicContact CG-CG2 3.56Å; T47-I115 HydrophobicContact CG2-CD1 4.26Å; T47-I115 HydrophobicContact CG2-CG1 4.42Å; T47-I115 HydrophobicContact CG2-CG2 4.34Å; Y49-I115 HydrophobicContact CE1-CG2 4.07Å; D111-I115 WeakPolarHBondContact O-CG1 3.33Å; D111-I115 PolarHBondContact O-N 2.63Å; D112-I115 PolarHBondContact O-N 3.43Å; I115-R118 PolarHBondContact O-N 2.97Å; I115-R119 VanDerWaalsContact O-CB 3.3Å; I115-R119 WeakPolarHBondContact O-CB 3.36Å; I115-R119 PolarHBondContact O-N 3.05Å
116E95.1Very high93.5Very high91 Ų9147 Ų4743%0.42525%0.247SC..Hα-helixtrans-69.6-44.5179.3-177.952.2-146.500112.4D112 F114 R118 R119 A120D112-E116 PolarHBondContact O-N 3.42Å; F114-E116 VanDerWaalsContact C-N 3.3Å; F114-E116 PolarHBondContact O-N 2.97Å; E116-R118 VanDerWaalsContact C-N 3.27Å; E116-R118 PolarHBondContact O-N 2.98Å; E116-R119 VanDerWaalsContact CD-NE 3.26Å; E116-R119 WeakPolarHBondContact O-CB 3.43Å; E116-R119 PolarHBondContact O-N 3.42Å; E116-R119 VanDerWaalsContact O-N 3.16Å; E116-R119 IonicContact OE1-CZ 3.8Å; E116-R119 VanDerWaalsContact OE1-CZ 3.26Å; E116-R119 IonicContact OE1-NE 3.77Å; E116-R119 PolarHBondContact OE1-NE 2.87Å; E116-R119 IonicContact OE1-NH2 3.26Å; E116-R119 PolarHBondContact OE1-NH2 3.5Å; E116-R119 VanDerWaalsContact OE2-CD 3.31Å; E116-R119 WeakPolarHBondContact OE2-CD 3.29Å; E116-R119 IonicContact OE2-NE 3.23Å; E116-R119 PolarHBondContact OE2-NE 3.27Å; E116-A120 PolarHBondContact O-N 2.81Å
117E94.4Very high94Very high128 Ų12847 Ų4760%0.59825%0.248SC*.Hα-helixtrans-55.5-46.4173.9-174.6-167.2159.700110.7S113 F114 G121S113-E117 WeakPolarHBondContact O-CB 3.35Å; S113-E117 PolarHBondContact O-N 2.88Å; F114-E117 PolarHBondContact O-N 3.34Å; E117-G121 PolarHBondContact O-N 3.3Å; E117-G121 VanDerWaalsContact O-N 3.08Å
118R95.9Very high94.5Very high18 Ų1848 Ų487%0.06825%0.247CC..Hα-helixtrans-64.8-45.4176.7177.1176.2-81.2178.7-7.7111.4Y49 Y71 P93 G94 K95 F114 I115 E116 A120 G121 L122Y49-R118 WeakPolarHBondContact OH-CD 3.36Å; Y71-R118 HydrophobicContact CD2-CG 4.33Å; P93-R118 HydrophobicContact CG-CG 4.24Å; G94-R118 PolarHBondContact O-NH2 3.27Å; K95-R118 PolarHBondContact O-NH2 3.03Å; F114-R118 VanDerWaalsContact CE1-CZ 3.41Å; F114-R118 VanDerWaalsContact O-CB 3.26Å; F114-R118 WeakPolarHBondContact O-CB 3.46Å; F114-R118 PolarHBondContact O-N 3.36Å; I115-R118 PolarHBondContact O-N 2.97Å; E116-R118 VanDerWaalsContact C-N 3.27Å; E116-R118 PolarHBondContact O-N 2.98Å; R118-A120 PolarHBondContact O-N 2.93Å; R118-G121 PolarHBondContact O-N 2.75Å; R118-L122 HydrophobicContact CG-CD1 3.85Å; R118-L122 HydrophobicContact CG-CG 4.13Å; R118-L122 WeakPolarHBondContact O-CB 3.48Å; R118-L122 VanDerWaalsContact O-CG 3.23Å; R118-L122 WeakPolarHBondContact O-CG 3.2Å; R118-L122 PolarHBondContact O-N 3.4Å
119R96.9Very high94.9Very high33 Ų3347.8 Ų47.813%0.12524%0.244CC..Hα-helixtrans-55.9-49.7178.5-177.1-141.965.971.20.7110.8V33 Y49 I115 E116 G121 L122 E123V33-R119 HydrophobicContact CB-CG 4.28Å; V33-R119 HydrophobicContact CG1-CG 3.97Å; V33-R119 WeakPolarHBondContact O-CD 3.1Å; V33-R119 WeakPolarHBondContact O-CG 3.49Å; V33-R119 PolarHBondContact O-NH1 2.95Å; Y49-R119 HydrophobicContact CD1-CB 4.13Å; Y49-R119 HydrophobicContact CD1-CG 4.14Å; Y49-R119 HydrophobicContact CE1-CB 3.92Å; Y49-R119 HydrophobicContact CE1-CG 4.43Å; I115-R119 VanDerWaalsContact O-CB 3.3Å; I115-R119 WeakPolarHBondContact O-CB 3.36Å; I115-R119 PolarHBondContact O-N 3.05Å; E116-R119 VanDerWaalsContact CD-NE 3.26Å; E116-R119 WeakPolarHBondContact O-CB 3.43Å; E116-R119 PolarHBondContact O-N 3.42Å; E116-R119 VanDerWaalsContact O-N 3.16Å; E116-R119 IonicContact OE1-CZ 3.8Å; E116-R119 VanDerWaalsContact OE1-CZ 3.26Å; E116-R119 IonicContact OE1-NE 3.77Å; E116-R119 PolarHBondContact OE1-NE 2.87Å; E116-R119 IonicContact OE1-NH2 3.26Å; E116-R119 PolarHBondContact OE1-NH2 3.5Å; E116-R119 VanDerWaalsContact OE2-CD 3.31Å; E116-R119 WeakPolarHBondContact OE2-CD 3.29Å; E116-R119 IonicContact OE2-NE 3.23Å; E116-R119 PolarHBondContact OE2-NE 3.27Å; R119-G121 VanDerWaalsContact C-N 3.35Å; R119-G121 PolarHBondContact O-N 3.23Å; R119-L122 PolarHBondContact O-N 3.46Å; R119-E123 IonicContact CZ-OE1 3.46Å; R119-E123 IonicContact NH1-OE1 3.42Å; R119-E123 PolarHBondContact NH1-OE1 3.17Å; R119-E123 IonicContact NH1-OE2 2.81Å; R119-E123 PolarHBondContact NH1-OE2 2.78Å; R119-E123 IonicContact NH2-OE1 2.82Å; R119-E123 WeakPolarHBondContact O-CB 3.34Å; R119-E123 PolarHBondContact O-N 2.82Å
120A96.8Very high95.3Very high26 Ų2646.3 Ų46.322%0.21524%0.237CC..Hα-helixtrans-59.6-43.3177.300000112.2E116 R118 E123 Q124E116-A120 PolarHBondContact O-N 2.81Å; R118-A120 PolarHBondContact O-N 2.93Å; A120-E123 PolarHBondContact O-N 2.89Å; A120-Q124 WeakPolarHBondContact O-CG 3.23Å; A120-Q124 PolarHBondContact O-N 2.82Å
121G97.1Very high95.4Very high18 Ų1846.7 Ų46.719%0.18625%0.251CS..Hα-helixtrans-64.9-38.8176.300000113.4E117 R118 R119 Q124 F125E117-G121 PolarHBondContact O-N 3.3Å; E117-G121 VanDerWaalsContact O-N 3.08Å; R118-G121 PolarHBondContact O-N 2.75Å; R119-G121 VanDerWaalsContact C-N 3.35Å; R119-G121 PolarHBondContact O-N 3.23Å; G121-Q124 PolarHBondContact O-N 2.65Å; G121-F125 WeakPolarHBondContact O-CB 3.48Å; G121-F125 PolarHBondContact O-N 2.83Å
122L97.9Very high95.5Very high0 Ų048.1 Ų48.10%026%0.256CS..Hα-helixtrans-67.5-38.4176.9-69.3176.2000111.9V33 Y49 Y71 F74 L92 P93 R118 R119 F125 L126V33-L122 HydrophobicContact CG1-CB 4.46Å; Y49-L122 HydrophobicContact CD2-CD1 3.75Å; Y49-L122 HydrophobicContact CE2-CD1 3.63Å; Y49-L122 HydrophobicContact CG-CD1 4.37Å; Y71-L122 HydrophobicContact CD2-CD1 4.44Å; Y71-L122 HydrophobicContact CD2-CD2 3.93Å; Y71-L122 HydrophobicContact CE2-CD2 4.22Å; F74-L122 HydrophobicContact CB-CD2 4.08Å; F74-L122 HydrophobicContact CD1-CB 4.33Å; F74-L122 HydrophobicContact CD1-CD2 3.6Å; F74-L122 HydrophobicContact CD1-CG 4.42Å; F74-L122 HydrophobicContact CD2-CD1 4.39Å; F74-L122 HydrophobicContact CD2-CD2 4.14Å; F74-L122 HydrophobicContact CE1-CB 3.75Å; F74-L122 HydrophobicContact CE1-CD1 4.41Å; F74-L122 HydrophobicContact CE1-CD2 3.88Å; F74-L122 HydrophobicContact CE1-CG 4.21Å; F74-L122 HydrophobicContact CE2-CD1 4.08Å; F74-L122 HydrophobicContact CE2-CD2 4.45Å; F74-L122 HydrophobicContact CG-CD2 3.72Å; F74-L122 HydrophobicContact CZ-CB 4.05Å; F74-L122 HydrophobicContact CZ-CD1 4.09Å; F74-L122 HydrophobicContact CZ-CD2 4.33Å; F74-L122 HydrophobicContact CZ-CG 4.37Å; L92-L122 HydrophobicContact CD2-CD2 4.11Å; P93-L122 HydrophobicContact CG-CD2 3.72Å; P93-L122 HydrophobicContact CG-CG 3.83Å; R118-L122 HydrophobicContact CG-CD1 3.85Å; R118-L122 HydrophobicContact CG-CG 4.13Å; R118-L122 WeakPolarHBondContact O-CB 3.48Å; R118-L122 VanDerWaalsContact O-CG 3.23Å; R118-L122 WeakPolarHBondContact O-CG 3.2Å; R118-L122 PolarHBondContact O-N 3.4Å; R119-L122 PolarHBondContact O-N 3.46Å; L122-F125 PolarHBondContact O-N 3.03Å; L122-L126 PolarHBondContact O-N 3.13Å
123E97.7Very high95.5Very high43 Ų4345.8 Ų45.820%0.20125%0.248CC..Hα-helixtrans-63.2-47.8174.2-175.4168.370.800111.9D32 V33 R119 A120 F125 L126 N127D32-E123 WeakPolarHBondContact CA-OE2 3.37Å; V33-E123 HydrophobicContact CB-CB 3.97Å; V33-E123 HydrophobicContact CG2-CB 3.9Å; V33-E123 HydrophobicContact CG2-CG 4.44Å; V33-E123 PolarHBondContact N-OE2 2.81Å; R119-E123 IonicContact CZ-OE1 3.46Å; R119-E123 IonicContact NH1-OE1 3.42Å; R119-E123 PolarHBondContact NH1-OE1 3.17Å; R119-E123 IonicContact NH1-OE2 2.81Å; R119-E123 PolarHBondContact NH1-OE2 2.78Å; R119-E123 IonicContact NH2-OE1 2.82Å; R119-E123 WeakPolarHBondContact O-CB 3.34Å; R119-E123 PolarHBondContact O-N 2.82Å; A120-E123 PolarHBondContact O-N 2.89Å; E123-F125 VanDerWaalsContact C-N 3.31Å; E123-F125 PolarHBondContact O-N 2.77Å; E123-L126 PolarHBondContact O-N 3.35Å; E123-N127 PolarHBondContact O-N 3.26Å; E123-N127 PolarHBondContact O-ND2 2.95Å
124Q96.7Very high95.5Very high119 Ų11946 Ų4656%0.55624%0.243SC*.Hα-helixtrans-61.5-40.5176.2-71.9178.912.200112A120 G121 K128A120-Q124 WeakPolarHBondContact O-CG 3.23Å; A120-Q124 PolarHBondContact O-N 2.82Å; G121-Q124 PolarHBondContact O-N 2.65Å; Q124-K128 VanDerWaalsContact O-CG 3.28Å; Q124-K128 WeakPolarHBondContact O-CG 3.28Å; Q124-K128 PolarHBondContact O-N 3.22Å
125F97.3Very high95.5Very high4 Ų445.5 Ų45.52%0.01824%0.241CC..Hα-helixtrans-59.4-50.8174.8167.7-92.2000111.1F74 L77 R78 V89 P90 L92 G121 L122 E123 K128 V129F74-F125 AromaticContact CD1-CD1 4Å; F74-F125 HydrophobicContact CD1-CD1 4Å; F74-F125 HydrophobicContact CD1-CE1 4.19Å; L77-F125 HydrophobicContact CD2-CE1 4.29Å; R78-F125 HydrophobicContact CB-CE2 4.28Å; R78-F125 HydrophobicContact CB-CZ 3.98Å; V89-F125 HydrophobicContact CG1-CE2 3.63Å; V89-F125 HydrophobicContact CG1-CZ 4.07Å; P90-F125 HydrophobicContact CB-CD2 4.17Å; P90-F125 WeakPolarHBondContact O-CD2 3.21Å; P90-F125 VanDerWaalsContact O-CE2 3.3Å; P90-F125 WeakPolarHBondContact O-CE2 3.36Å; L92-F125 HydrophobicContact CD2-CB 4.34Å; L92-F125 HydrophobicContact CD2-CD1 3.7Å; L92-F125 HydrophobicContact CD2-CD2 3.6Å; L92-F125 HydrophobicContact CD2-CE1 3.81Å; L92-F125 HydrophobicContact CD2-CE2 3.69Å; L92-F125 HydrophobicContact CD2-CG 3.6Å; L92-F125 HydrophobicContact CD2-CZ 3.81Å; L92-F125 HydrophobicContact CG-CD2 4.19Å; L92-F125 HydrophobicContact CG-CE2 4.08Å; L92-F125 HydrophobicContact CG-CZ 4.45Å; G121-F125 WeakPolarHBondContact O-CB 3.48Å; G121-F125 PolarHBondContact O-N 2.83Å; L122-F125 PolarHBondContact O-N 3.03Å; E123-F125 VanDerWaalsContact C-N 3.31Å; E123-F125 PolarHBondContact O-N 2.77Å; F125-K128 PolarHBondContact O-N 3.43Å; F125-V129 HydrophobicContact CD2-CG2 4.25Å; F125-V129 HydrophobicContact CE1-CG2 4.14Å; F125-V129 HydrophobicContact CE2-CG2 3.87Å; F125-V129 HydrophobicContact CZ-CG2 3.8Å; F125-V129 WeakPolarHBondContact O-CG2 3.4Å; F125-V129 PolarHBondContact O-N 2.83Å
126L97.2Very high95.5Very high0 Ų046.4 Ų46.40%025%0.245CC..Hα-helixtrans-65.6-43.7-177.1-80.9174.9000113.1I31 V33 I51 F74 L77 L122 E123 K128 V129 A130 F144 L145I31-L126 HydrophobicContact CG2-CB 4.17Å; I31-L126 HydrophobicContact CG2-CD1 4.15Å; V33-L126 HydrophobicContact CG2-CD1 3.79Å; I51-L126 HydrophobicContact CD1-CD1 3.82Å; I51-L126 HydrophobicContact CG1-CD1 4.31Å; I51-L126 HydrophobicContact CG2-CD1 4.11Å; F74-L126 HydrophobicContact CD1-CD1 4.33Å; F74-L126 HydrophobicContact CD1-CD2 4.4Å; F74-L126 HydrophobicContact CD1-CG 4.17Å; F74-L126 HydrophobicContact CE1-CD1 3.35Å; F74-L126 HydrophobicContact CE1-CD2 4.18Å; F74-L126 HydrophobicContact CE1-CG 3.6Å; F74-L126 HydrophobicContact CZ-CD1 3.87Å; L77-L126 HydrophobicContact CD2-CD2 4Å; L122-L126 PolarHBondContact O-N 3.13Å; E123-L126 PolarHBondContact O-N 3.35Å; L126-K128 VanDerWaalsContact C-N 3.28Å; L126-K128 PolarHBondContact O-N 3.16Å; L126-V129 PolarHBondContact O-N 2.98Å; L126-A130 WeakPolarHBondContact O-CB 3.33Å; L126-A130 PolarHBondContact O-N 2.91Å; L126-F144 HydrophobicContact CD1-CE1 3.98Å; L126-F144 HydrophobicContact CD2-CD1 4.01Å; L126-F144 HydrophobicContact CD2-CE1 3.51Å; L126-F144 HydrophobicContact CD2-CZ 4.35Å; L126-F144 HydrophobicContact CG-CE1 4.33Å; L126-L145 HydrophobicContact CD2-CD2 4.37Å
127N96.3Very high95.4Very high58 Ų5844.8 Ų44.831%0.3124%0.239SC..Hα-helixtrans-60.9-40178.7-80.5-73.2000111.4I31 E123 G131I31-N127 PolarHBondContact N-OD1 3.44Å; I31-N127 PolarHBondContact O-ND2 3.25Å; E123-N127 PolarHBondContact O-N 3.26Å; E123-N127 PolarHBondContact O-ND2 2.95Å; N127-G131 PolarHBondContact O-N 3.17Å
128K95.4Very high95.4Very high130 Ų13039.4 Ų39.457%0.56521%0.214SC*.Hα-helixtrans-66.4-45.2175.5-72.3174.2-175.3175.50112.6P90 Q124 F125 L126 H132P90-K128 HydrophobicContact CB-CD 4.21Å; P90-K128 HydrophobicContact CG-CB 3.71Å; P90-K128 HydrophobicContact CG-CD 3.99Å; Q124-K128 VanDerWaalsContact O-CG 3.28Å; Q124-K128 WeakPolarHBondContact O-CG 3.28Å; Q124-K128 PolarHBondContact O-N 3.22Å; F125-K128 PolarHBondContact O-N 3.43Å; L126-K128 VanDerWaalsContact C-N 3.28Å; L126-K128 PolarHBondContact O-N 3.16Å; K128-H132 PolarHBondContact O-N 3.32Å
129V95.8Very high95.3Very high1 Ų144.1 Ų44.11%0.00623%0.231CC..Hα-helixtrans-66.7-50.4179.9168.80000110.8L81 V89 P90 F125 L126 G131 H132 A135 L141L81-V129 HydrophobicContact CD1-CG1 3.36Å; L81-V129 HydrophobicContact CD1-CG2 4.48Å; V89-V129 HydrophobicContact CG1-CG2 4.28Å; P90-V129 HydrophobicContact CG-CG2 4.31Å; F125-V129 HydrophobicContact CD2-CG2 4.25Å; F125-V129 HydrophobicContact CE1-CG2 4.14Å; F125-V129 HydrophobicContact CE2-CG2 3.87Å; F125-V129 HydrophobicContact CZ-CG2 3.8Å; F125-V129 WeakPolarHBondContact O-CG2 3.4Å; F125-V129 PolarHBondContact O-N 2.83Å; L126-V129 PolarHBondContact O-N 2.98Å; V129-G131 VanDerWaalsContact C-N 3.28Å; V129-G131 PolarHBondContact O-N 2.85Å; V129-H132 WeakPolarHBondContact O-CB 3.45Å; V129-H132 PolarHBondContact O-N 2.81Å; V129-H132 VanDerWaalsContact O-N 3.07Å; V129-A135 HydrophobicContact CG1-CB 4.1Å; V129-A135 VanDerWaalsContact O-CB 3.27Å; V129-A135 WeakPolarHBondContact O-CB 3.31Å; V129-L141 HydrophobicContact CG1-CD1 4.04Å
130A95.5Very high95.2Very high0 Ų042.7 Ų42.70%023%0.226CC..Hα-helixtrans-70-26.3-176.500000112.8L29 I31 L126 H132 Q136 L141 L145L29-A130 VanDerWaalsContact CD2-C 3.41Å; L29-A130 HydrophobicContact CD2-CB 3.84Å; L29-A130 WeakPolarHBondContact CD2-O 3.37Å; I31-A130 HydrophobicContact CD1-CB 3.33Å; L126-A130 WeakPolarHBondContact O-CB 3.33Å; L126-A130 PolarHBondContact O-N 2.91Å; A130-H132 VanDerWaalsContact C-N 3.25Å; A130-H132 PolarHBondContact O-N 3.46Å; A130-Q136 WeakPolarHBondContact O-CG 3.12Å; A130-Q136 PolarHBondContact O-NE2 3.21Å; A130-L141 HydrophobicContact CB-CD1 4.39Å; A130-L141 HydrophobicContact CB-CD2 4.35Å; A130-L145 HydrophobicContact CB-CD1 4.24Å
131G93.2Very high95.2Very high43 Ų4341.4 Ų41.444%0.44322%0.216SC..THydrogen-bonded Turntrans-73.3-12.7171.700000114.3N127 V129 P133N127-G131 PolarHBondContact O-N 3.17Å; V129-G131 VanDerWaalsContact C-N 3.28Å; V129-G131 PolarHBondContact O-N 2.85Å; G131-P133 WeakPolarHBondContact O-CD 3.43Å
132H94.3Very high95.2Very high70 Ų7041.1 Ų41.132%0.32421%0.21SC..  trans-86.5120.5-175.3-165.5-70.7000111.7K128 V129 A130 L134 A135 Q136K128-H132 PolarHBondContact O-N 3.32Å; V129-H132 WeakPolarHBondContact O-CB 3.45Å; V129-H132 PolarHBondContact O-N 2.81Å; V129-H132 VanDerWaalsContact O-N 3.07Å; A130-H132 VanDerWaalsContact C-N 3.25Å; A130-H132 PolarHBondContact O-N 3.46Å; H132-L134 VanDerWaalsContact C-N 3.3Å; H132-L134 PolarHBondContact ND1-N 3.06Å; H132-L134 PolarHBondContact O-N 2.89Å; H132-L134 VanDerWaalsContact O-N 3.15Å; H132-A135 HydrophobicContact CB-CB 4.14Å; H132-A135 PolarHBondContact O-N 3.5Å; H132-Q136 WeakPolarHBondContact O-CG 3.26Å; H132-Q136 PolarHBondContact O-N 3.41Å
133P91.7Very high95.1Very high84 Ų8441.5 Ų41.555%0.54521%0.212SC..Hα-helixtrans-56.6-37.7-174.3-27.434.6000114.6G131 Q136 N137G131-P133 WeakPolarHBondContact O-CD 3.43Å; P133-Q136 PolarHBondContact O-N 2.88Å; P133-N137 PolarHBondContact O-N 3.08Å; P133-N137 PolarHBondContact O-ND2 3.3Å
134L92.1Very high95.1Very high80 Ų8039.4 Ų39.442%0.41920%0.202SC..Hα-helixtrans-67.8-34.9176.6-61.8-179.2000113V87 H132 N137V87-L134 HydrophobicContact CG2-CB 3.49Å; V87-L134 VanDerWaalsContact CG2-CB 3.49Å; V87-L134 HydrophobicContact CG2-CD1 4.33Å; H132-L134 VanDerWaalsContact C-N 3.3Å; H132-L134 PolarHBondContact ND1-N 3.06Å; H132-L134 PolarHBondContact O-N 2.89Å; H132-L134 VanDerWaalsContact O-N 3.15Å; L134-N137 PolarHBondContact O-N 3.46Å
135A94Very high95.1Very high0 Ų033.8 Ų33.80%018%0.176CC..Hα-helixtrans-75.6-33.2177.400000111.3L81 V87 V129 H132 N137 E138 L141L81-A135 HydrophobicContact CD2-CB 4.12Å; V87-A135 HydrophobicContact CG2-CB 4.29Å; V129-A135 HydrophobicContact CG1-CB 4.1Å; V129-A135 VanDerWaalsContact O-CB 3.27Å; V129-A135 WeakPolarHBondContact O-CB 3.31Å; H132-A135 HydrophobicContact CB-CB 4.14Å; H132-A135 PolarHBondContact O-N 3.5Å; A135-N137 PolarHBondContact O-N 2.93Å; A135-E138 PolarHBondContact O-N 3.37Å; A135-L141 WeakPolarHBondContact O-CD2 3.34Å
136Q93.9Very high95.1Very high28 Ų2834.6 Ų34.613%0.13118%0.179CC..Hα-helixtrans-59-27.2172.4-67.2178.9-5.800112.7I59 A130 H132 P133 E138 H142I59-Q136 HydrophobicContact CD1-CB 3.93Å; I59-Q136 VanDerWaalsContact CD1-O 3.25Å; I59-Q136 WeakPolarHBondContact CD1-O 3.42Å; I59-Q136 HydrophobicContact CG2-CB 4.29Å; A130-Q136 WeakPolarHBondContact O-CG 3.12Å; A130-Q136 PolarHBondContact O-NE2 3.21Å; H132-Q136 WeakPolarHBondContact O-CG 3.26Å; H132-Q136 PolarHBondContact O-N 3.41Å; P133-Q136 PolarHBondContact O-N 2.88Å; Q136-E138 VanDerWaalsContact C-N 3.31Å; Q136-H142 PolarHBondContact O-NE2 3.47Å
137N93Very high95Very high58 Ų5838.5 Ų38.531%0.3120%0.2SC..THydrogen-bonded Turntrans-77.7-13.1175.9-67.7-27.9000113.4I59 P133 L134 A135 K158 I159I59-N137 WeakPolarHBondContact CD1-OD1 3.34Å; P133-N137 PolarHBondContact O-N 3.08Å; P133-N137 PolarHBondContact O-ND2 3.3Å; L134-N137 PolarHBondContact O-N 3.46Å; A135-N137 PolarHBondContact O-N 2.93Å; N137-K158 CarbonylContact O-C 3.5Å; N137-K158 WeakPolarHBondContact O-CA 3.48Å; N137-K158 WeakPolarHBondContact O-CB 3.42Å; N137-I159 PolarHBondContact O-N 3.43Å
138E94.4Very high94.9Very high14 Ų1444.4 Ų44.47%0.06523%0.226CC..BIsolated β-bridgetrans-89.4130.7-175.9-61.5-55.8151.100111.8L81 A135 Q136 C140 L141 H142L81-E138 HydrophobicContact CD2-CB 3.95Å; L81-E138 HydrophobicContact CD2-CG 3.93Å; A135-E138 PolarHBondContact O-N 3.37Å; Q136-E138 VanDerWaalsContact C-N 3.31Å; E138-C140 PolarHBondContact O-N 3.18Å; E138-L141 PolarHBondContact O-N 3.39Å; E138-H142 PolarHBondContact O-CD2 3.42Å
139R94.7Very high94.7Very high117 Ų11742.4 Ų42.444%0.44223%0.228SC..Hα-helixtrans-61.2-32-178.3179.2176.7177.9171.70.3113.2L141 H142 M143 S157 I159R139-L141 PolarHBondContact O-N 2.89Å; R139-H142 PolarHBondContact O-N 3.32Å; R139-M143 PolarHBondContact O-N 3.41Å; R139-S157 WeakPolarHBondContact CB-O 3.16Å; R139-S157 VanDerWaalsContact CD-OG 3.23Å; R139-S157 WeakPolarHBondContact CD-OG 3.31Å; R139-S157 PolarHBondContact N-O 3.09Å; R139-I159 HydrophobicContact CB-CD1 4.21Å; R139-I159 HydrophobicContact CG-CD1 4.41Å
140C95.3Very high94.6Very high3 Ų343.6 Ų43.62%0.0224%0.236CC..Hα-helixtrans-58.4-35.3-179.857.90000112.6W76 L77 E80 E138 F144 Y154W76-C140 HydrophobicContact CH2-CB 3.81Å; W76-C140 HydrophobicContact CZ3-CB 4.34Å; L77-C140 HydrophobicContact CD1-CB 4.19Å; E80-C140 HydrophobicContact CB-CB 4.1Å; E138-C140 PolarHBondContact O-N 3.18Å; C140-F144 VanDerWaalsContact O-CB 3.23Å; C140-F144 WeakPolarHBondContact O-CB 3.4Å; C140-F144 PolarHBondContact O-N 2.92Å; C140-Y154 HydrophobicContact CB-CE2 4.26Å; C140-Y154 WeakPolarHBondContact CB-OH 3.41Å
141L96.3Very high94.5Very high0 Ų047.2 Ų47.20%026%0.255CS..Hα-helixtrans-65.9-43.3177.7-179.565.1000111.7L77 V129 A130 A135 E138 R139 F144 L145L77-L141 HydrophobicContact CD2-CD1 4.3Å; V129-L141 HydrophobicContact CG1-CD1 4.04Å; A130-L141 HydrophobicContact CB-CD1 4.39Å; A130-L141 HydrophobicContact CB-CD2 4.35Å; A135-L141 WeakPolarHBondContact O-CD2 3.34Å; E138-L141 PolarHBondContact O-N 3.39Å; R139-L141 PolarHBondContact O-N 2.89Å; L141-F144 PolarHBondContact O-N 2.93Å; L141-L145 HydrophobicContact CD1-CD1 3.73Å; L141-L145 HydrophobicContact CD1-CG 4.19Å; L141-L145 HydrophobicContact CG-CD1 3.96Å; L141-L145 WeakPolarHBondContact O-CB 3.5Å; L141-L145 WeakPolarHBondContact O-CG 3.38Å; L141-L145 PolarHBondContact O-N 3.48Å
142H96Very high94.4Very high12 Ų1250.7 Ų50.76%0.05626%0.258CS..Hα-helixtrans-68.5-44.1-179.6-66.6-94000111.4I59 F60 Q136 E138 R139 F144 L145 Q146 I159I59-H142 PolarHBondContact O-CE1 2.94Å; F60-H142 AromaticContact CD1-CE1 3.67Å; F60-H142 AromaticContact CD1-ND1 3.66Å; F60-H142 AromaticContact CE1-CE1 3.89Å; Q136-H142 PolarHBondContact O-NE2 3.47Å; E138-H142 PolarHBondContact O-CD2 3.42Å; R139-H142 PolarHBondContact O-N 3.32Å; H142-F144 VanDerWaalsContact C-N 3.25Å; H142-F144 PolarHBondContact O-N 3.49Å; H142-L145 PolarHBondContact O-N 3.09Å; H142-Q146 WeakPolarHBondContact O-CB 3.5Å; H142-Q146 PolarHBondContact O-N 2.81Å; H142-I159 HydrophobicContact CB-CD1 4.1Å; H142-I159 WeakPolarHBondContact CD2-CG1 3.38Å; H142-I159 WeakPolarHBondContact NE2-CG1 3.29Å
143M96.2Very high94.2Very high7 Ų753.2 Ų53.23%0.03428%0.278CS..Hα-helixtrans-59.9-39.5173.2-178.7168.764.700111.3R69 W76 R139 D147 V150 D151 Y154R69-M143 PolarHBondContact NH2-O 2.99Å; R69-M143 VanDerWaalsContact NH2-O 3.17Å; W76-M143 HydrophobicContact CH2-CE 3.26Å; W76-M143 HydrophobicContact CZ2-CE 3.64Å; W76-M143 HydrophobicContact CZ3-CE 4.31Å; R139-M143 PolarHBondContact O-N 3.41Å; M143-D147 WeakPolarHBondContact CA-OD2 3.29Å; M143-D147 HydrophobicContact CG-CB 4.3Å; M143-D147 WeakPolarHBondContact CG-OD2 3.09Å; M143-D147 WeakPolarHBondContact O-CB 3.34Å; M143-D147 PolarHBondContact O-N 3.49Å; M143-V150 HydrophobicContact CE-CG1 4.04Å; M143-D151 VanDerWaalsContact CE-O 3.25Å; M143-D151 WeakPolarHBondContact CE-O 3.46Å; M143-D151 HydrophobicContact SD-CB 3.82Å; M143-D151 PolarHBondContact SD-N 3.32Å; M143-D151 VanDerWaalsContact SD-N 3.42Å; M143-Y154 HydrophobicContact CE-CD1 3.71Å; M143-Y154 HydrophobicContact CE-CD2 4Å; M143-Y154 HydrophobicContact CE-CE1 4.2Å; M143-Y154 HydrophobicContact CE-CE2 4.42Å; M143-Y154 HydrophobicContact CE-CG 3.62Å; M143-Y154 HydrophobicContact SD-CG 4.4Å
144F97.4Very high94.2Very high0 Ų050.1 Ų50.10%026%0.256CS..Hα-helixtrans-65.7-41.5177.9-176.4-89.1000112.8I51 R69 D73 F74 L77 L126 C140 L141 H142 V150I51-F144 HydrophobicContact CD1-CD1 4.35Å; I51-F144 HydrophobicContact CD1-CE1 3.39Å; I51-F144 HydrophobicContact CD1-CZ 3.7Å; R69-F144 HydrophobicContact CB-CE2 4.18Å; R69-F144 HydrophobicContact CB-CZ 3.99Å; R69-F144 HydrophobicContact CG-CD2 4.38Å; R69-F144 HydrophobicContact CG-CE1 4.18Å; R69-F144 HydrophobicContact CG-CE2 3.77Å; R69-F144 HydrophobicContact CG-CZ 3.67Å; R69-F144 VanDerWaalsContact CZ-O 3.31Å; R69-F144 PolarHBondContact NE-O 3.02Å; R69-F144 PolarHBondContact NH2-O 3.37Å; D73-F144 HydrophobicContact CB-CE2 3.93Å; F74-F144 HydrophobicContact CD1-CE1 4.47Å; F74-F144 AromaticContact CD1-CZ 3.83Å; F74-F144 HydrophobicContact CD1-CZ 3.83Å; F74-F144 HydrophobicContact CD2-CE2 4.27Å; F74-F144 AromaticContact CD2-CZ 3.8Å; F74-F144 HydrophobicContact CD2-CZ 3.8Å; F74-F144 HydrophobicContact CE1-CE1 4.29Å; F74-F144 AromaticContact CE1-CZ 3.88Å; F74-F144 HydrophobicContact CE1-CZ 3.88Å; F74-F144 AromaticContact CE2-CZ 3.8Å; F74-F144 HydrophobicContact CE2-CZ 3.8Å; F74-F144 HydrophobicContact CG-CE2 4.31Å; F74-F144 AromaticContact CG-CZ 3.81Å; F74-F144 HydrophobicContact CG-CZ 3.81Å; F74-F144 HydrophobicContact CZ-CE1 4.41Å; F74-F144 AromaticContact CZ-CZ 3.85Å; F74-F144 HydrophobicContact CZ-CZ 3.85Å; L77-F144 HydrophobicContact CB-CD2 4.02Å; L77-F144 HydrophobicContact CB-CE2 4.35Å; L77-F144 HydrophobicContact CB-CG 4.42Å; L77-F144 HydrophobicContact CD1-CB 4.17Å; L77-F144 HydrophobicContact CD2-CB 4.18Å; L77-F144 HydrophobicContact CD2-CD1 3.75Å; L77-F144 HydrophobicContact CD2-CD2 4.08Å; L77-F144 HydrophobicContact CD2-CE1 4.1Å; L77-F144 HydrophobicContact CD2-CE2 4.41Å; L77-F144 HydrophobicContact CD2-CG 3.73Å; L77-F144 HydrophobicContact CD2-CZ 4.42Å; L77-F144 HydrophobicContact CG-CG 4.44Å; L126-F144 HydrophobicContact CD1-CE1 3.98Å; L126-F144 HydrophobicContact CD2-CD1 4.01Å; L126-F144 HydrophobicContact CD2-CE1 3.51Å; L126-F144 HydrophobicContact CD2-CZ 4.35Å; L126-F144 HydrophobicContact CG-CE1 4.33Å; C140-F144 VanDerWaalsContact O-CB 3.23Å; C140-F144 WeakPolarHBondContact O-CB 3.4Å; C140-F144 PolarHBondContact O-N 2.92Å; L141-F144 PolarHBondContact O-N 2.93Å; H142-F144 VanDerWaalsContact C-N 3.25Å; H142-F144 PolarHBondContact O-N 3.49Å; F144-V150 HydrophobicContact CD2-CG2 4.21Å
145L97.6Very high94.1Very high0 Ų051.5 Ų51.50%027%0.268CS..Hα-helixtrans-89.5-30.1-173.6-69.4175.2000114.9I31 I51 L53 F60 S65 V67 L126 A130 L141 H142I31-L145 HydrophobicContact CD1-CD1 3.93Å; I31-L145 HydrophobicContact CD1-CD2 4.08Å; I51-L145 HydrophobicContact CG2-CD2 3.91Å; L53-L145 HydrophobicContact CD2-CB 4.34Å; F60-L145 HydrophobicContact CE1-CD1 3.89Å; F60-L145 HydrophobicContact CZ-CD1 4.45Å; S65-L145 PolarHBondContact OG-O 3.01Å; S65-L145 VanDerWaalsContact OG-O 3.12Å; V67-L145 WeakPolarHBondContact CG1-O 3.31Å; V67-L145 WeakPolarHBondContact CG2-O 3.36Å; L126-L145 HydrophobicContact CD2-CD2 4.37Å; A130-L145 HydrophobicContact CB-CD1 4.24Å; L141-L145 HydrophobicContact CD1-CD1 3.73Å; L141-L145 HydrophobicContact CD1-CG 4.19Å; L141-L145 HydrophobicContact CG-CD1 3.96Å; L141-L145 WeakPolarHBondContact O-CB 3.5Å; L141-L145 WeakPolarHBondContact O-CG 3.38Å; L141-L145 PolarHBondContact O-N 3.48Å; H142-L145 PolarHBondContact O-N 3.09Å
146Q96.1Very high93.9Very high21 Ų2154.2 Ų54.210%0.09829%0.286CS..Hα-helixtrans-115.8-30.7-167.3-59.5-169.6-37.600114.3L53 L62 H142L53-Q146 HydrophobicContact CD2-CG 4.26Å; L62-Q146 HydrophobicContact CD1-CB 4.32Å; L62-Q146 PolarHBondContact O-NE2 2.82Å; H142-Q146 WeakPolarHBondContact O-CB 3.5Å; H142-Q146 PolarHBondContact O-N 2.81Å
147D96.2Very high93.8Very high82 Ų8255 Ų5544%0.43929%0.294SS..SBendtrans-82.2152-178.8-63.7-16.2000110.3V67 R69 M143 S149V67-D147 VanDerWaalsContact CG1-O 3.25Å; V67-D147 WeakPolarHBondContact CG1-O 3.44Å; R69-D147 PolarHBondContact NH2-O 3.21Å; M143-D147 WeakPolarHBondContact CA-OD2 3.29Å; M143-D147 HydrophobicContact CG-CB 4.3Å; M143-D147 WeakPolarHBondContact CG-OD2 3.09Å; M143-D147 WeakPolarHBondContact O-CB 3.34Å; M143-D147 PolarHBondContact O-N 3.49Å; D147-S149 VanDerWaalsContact C-N 3.29Å; D147-S149 PolarHBondContact O-N 3Å
148E93.3Very high93.6Very high183 Ų18358.9 Ų58.986%0.85531%0.308SS*.SBendtrans-65.4-35.4-178.8-172.9175.9-17700112R69R69-E148 PolarHBondContact NH1-O 3.35Å
149S91.8Very high93.1Very high87 Ų8760.5 Ų60.561%0.60832%0.317SS*.SBendtrans-134152.3-179.373.30000111.5D147D147-S149 VanDerWaalsContact C-N 3.29Å; D147-S149 PolarHBondContact O-N 3Å
150V93.4Very high91.9Very high26 Ų2666 Ų6616%0.15834%0.338CS..  trans-89.2114.2177.3178.70000109.3W76 M143 F144 K152W76-V150 HydrophobicContact CD2-CG1 3.84Å; W76-V150 HydrophobicContact CE3-CG1 3.49Å; W76-V150 VanDerWaalsContact CE3-CG1 3.49Å; W76-V150 HydrophobicContact CH2-CG1 3.47Å; W76-V150 VanDerWaalsContact CH2-CG1 3.47Å; W76-V150 HydrophobicContact CZ2-CG1 3.72Å; W76-V150 HydrophobicContact CZ3-CG1 3.33Å; M143-V150 HydrophobicContact CE-CG1 4.04Å; F144-V150 HydrophobicContact CD2-CG2 4.21Å; V150-K152 PolarHBondContact O-N 3.15Å
151D93Very high90Very high77 Ų7773.1 Ų73.141%0.41237%0.371SS..  trans-79106.1171178.911000110.5M143 T153 Y154M143-D151 VanDerWaalsContact CE-O 3.25Å; M143-D151 WeakPolarHBondContact CE-O 3.46Å; M143-D151 HydrophobicContact SD-CB 3.82Å; M143-D151 PolarHBondContact SD-N 3.32Å; M143-D151 VanDerWaalsContact SD-N 3.42Å; D151-T153 PolarHBondContact O-N 3.1Å; D151-T153 WeakPolarHBondContact OD1-CA 3.38Å; D151-T153 PolarHBondContact OD1-N 3.18Å; D151-T153 PolarHBondContact OD1-OG1 2.72Å; D151-Y154 WeakPolarHBondContact O-CB 3.27Å; D151-Y154 VanDerWaalsContact O-CD1 3.28Å; D151-Y154 WeakPolarHBondContact O-CD1 3.4Å; D151-Y154 PolarHBondContact O-N 3.38Å
152K90.9Very high87.6Confident115 Ų11581.5 Ų81.550%0.544%0.44SS..THydrogen-bonded Turntrans-73.5-11.6178.9-62.9-173.9177.4-170.20113.7V150V150-K152 PolarHBondContact O-N 3.15Å
153T91.2Very high87.2Confident123 Ų12385 Ų8576%0.75546%0.459SS*.THydrogen-bonded Turntrans-99.26.1177.861.10000113.1D151D151-T153 PolarHBondContact O-N 3.1Å; D151-T153 WeakPolarHBondContact OD1-CA 3.38Å; D151-T153 PolarHBondContact OD1-N 3.18Å; D151-T153 PolarHBondContact OD1-OG1 2.72Å
154Y91.3Very high86.7Confident20 Ų2089.1 Ų89.18%0.07848%0.481CS..PPolyproline II helixtrans-57.8152.117888-62.2000111.8W76 E80 C140 M143 D151 P156W76-Y154 HydrophobicContact CH2-CE1 4.19Å; W76-Y154 AromaticContact CZ2-CD1 3.91Å; W76-Y154 HydrophobicContact CZ2-CD1 3.91Å; W76-Y154 AromaticContact CZ2-CE1 3.47Å; W76-Y154 HydrophobicContact CZ2-CE1 3.47Å; W76-Y154 VanDerWaalsContact CZ2-CE1 3.47Å; E80-Y154 HydrophobicContact CG-CE1 4.46Å; E80-Y154 WeakPolarHBondContact OE2-CE1 3.39Å; E80-Y154 VanDerWaalsContact OE2-CZ 3.22Å; E80-Y154 PolarHBondContact OE2-OH 2.51Å; C140-Y154 HydrophobicContact CB-CE2 4.26Å; C140-Y154 WeakPolarHBondContact CB-OH 3.41Å; M143-Y154 HydrophobicContact CE-CD1 3.71Å; M143-Y154 HydrophobicContact CE-CD2 4Å; M143-Y154 HydrophobicContact CE-CE1 4.2Å; M143-Y154 HydrophobicContact CE-CE2 4.42Å; M143-Y154 HydrophobicContact CE-CG 3.62Å; M143-Y154 HydrophobicContact SD-CG 4.4Å; D151-Y154 WeakPolarHBondContact O-CB 3.27Å; D151-Y154 VanDerWaalsContact O-CD1 3.28Å; D151-Y154 WeakPolarHBondContact O-CD1 3.4Å; D151-Y154 PolarHBondContact O-N 3.38Å; Y154-P156 HydrophobicContact CE2-CB 4.45Å; Y154-P156 WeakPolarHBondContact O-CD 3.3Å
155T90.5Very high86.1Confident108 Ų10894 Ų9466%0.66351%0.508SS*.PPolyproline II helixtrans-82.6120.4171.6-490000109.4S157T155-S157 PolarHBondContact O-N 3.06Å
156P90.5Very high85.5Confident58 Ų5899.5 Ų99.538%0.37754%0.538SS..PPolyproline II helixtrans-58.4130.8176.6-24.735.1000111.6R83 D84 Y154R83-P156 VanDerWaalsContact NH2-CG 3.35Å; D84-P156 WeakPolarHBondContact OD2-CB 3.42Å; Y154-P156 HydrophobicContact CE2-CB 4.45Å; Y154-P156 WeakPolarHBondContact O-CD 3.3Å
157S90.3Very high84.8Confident45 Ų45104.4 Ų104.432%0.31557%0.565SS.*  trans-162.9156.7-175.766.10000110.4R139 T155R139-S157 WeakPolarHBondContact CB-O 3.16Å; R139-S157 VanDerWaalsContact CD-OG 3.23Å; R139-S157 WeakPolarHBondContact CD-OG 3.31Å; R139-S157 PolarHBondContact N-O 3.09Å; T155-S157 PolarHBondContact O-N 3.06Å
158K88.6Confident84Confident139 Ų139105.9 Ų105.960%0.60457%0.574SS**BIsolated β-bridgetrans-81151.3170.1-62.7-176.9180-179.80111.6N137 R160N137-K158 CarbonylContact O-C 3.5Å; N137-K158 WeakPolarHBondContact O-CA 3.48Å; N137-K158 WeakPolarHBondContact O-CB 3.42Å; K158-R160 PolarHBondContact O-N 3.29Å
159I84.7Confident83.4Confident48 Ų48100.4 Ų100.425%0.24655%0.554CS.*PPolyproline II helixtrans-63.2119.7167.5-64.2-64.2000108.3I59 N137 R139 H142I59-I159 HydrophobicContact CG1-CG2 4.29Å; N137-I159 PolarHBondContact O-N 3.43Å; R139-I159 HydrophobicContact CB-CD1 4.21Å; R139-I159 HydrophobicContact CG-CD1 4.41Å; H142-I159 HydrophobicContact CB-CD1 4.1Å; H142-I159 WeakPolarHBondContact CD2-CG1 3.38Å; H142-I159 WeakPolarHBondContact NE2-CG1 3.29Å
160R68.6Low82.7Confident232 Ų232101.5 Ų101.588%0.87555%0.549SS*.PPolyproline II helixtrans-82118.9167.7-62.6-174.5-178-157.60.4106.5K158 A162K158-R160 PolarHBondContact O-N 3.29Å; R160-A162 PolarHBondContact O-N 2.75Å
161Q56.1Low81.8Confident153 Ų153107.8 Ų107.872%0.71558%0.582SS**PPolyproline II helixtrans-61.7120.6164.1-69.1-177.3-12.100106.6
162A46.4Very low80.8Confident175 Ų175110.5 Ų110.5100%1.44660%0.598SS**  trans-74.70171.400000109.8R160R160-A162 PolarHBondContact O-N 2.75Å

Retrieved 162 of 162 residues in 457 ms (Link to these results)

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